#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3a h ARG 1017N 0.00 0.71 -0.77 -0.78 3.08 -1.98 -0.52 114.38 114.12 1p3a h ARG 1017Ca 0.00 -0.50 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1p3a h ARG 1017Cb 0.00 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1p3a h ARG 1017CO 0.00 1.12 0.44 0.77 -1.07 0.00 0.00 179.97 181.22 1p3a h SER 1018N 0.53 0.94 -0.14 7.04 0.02 -1.84 0.19 113.55 120.28 1p3a h SER 1018Ca -0.01 -0.07 -0.19 0.00 -0.84 0.00 0.00 61.79 60.68 1p3a h SER 1018Cb 1.22 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1p3a h SER 1018CO 0.13 0.75 -0.63 0.77 -1.14 0.00 0.00 176.83 176.71 1p3a h SER 1019N 1.07 0.86 -0.62 3.07 4.64 -1.71 1.62 113.55 122.48 1p3a h SER 1019Ca 0.27 -0.49 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1p3a h SER 1019Cb 0.00 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.81 1p3a h SER 1019CO -0.05 1.27 0.41 0.03 -0.87 0.00 0.00 176.83 177.62 1p3a h ARG 1020N 0.56 0.82 -0.02 4.77 3.08 0.65 -1.50 114.38 122.74 1p3a h ARG 1020Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1p3a h ARG 1020Cb 1.22 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1p3a h ARG 1020CO 0.13 0.54 -0.27 0.00 -1.07 0.00 0.00 179.97 179.30 1p3a n ALA 1021N -2.44 3.11 -2.60 0.04 0.00 0.47 -4.99 120.51 114.09 1p3a n ALA 1021Ca 0.06 -0.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.86 1p3a n ALA 1021Cb 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 18.59 1p3a n ALA 1021CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3a n GLY 1022N 1.35 -0.21 2.98 0.00 0.00 0.16 -5.04 105.19 104.43 1p3a n GLY 1022Ca 0.12 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 1p3a n GLY 1022CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3a s LEU 1023N -4.42 2.24 0.25 0.99 1.43 0.50 -4.98 118.68 114.70 1p3a s LEU 1023Ca 0.19 -0.49 0.14 0.00 -1.03 0.00 0.00 54.13 52.93 1p3a s LEU 1023Cb -0.02 0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.30 1p3a s LEU 1023CO 0.43 -0.29 1.42 1.56 0.23 0.00 0.00 176.35 179.70 1p3a h GLN 1024N 4.67 0.00 -7.20 1.70 1.08 -1.97 -3.38 115.11 110.02 1p3a h GLN 1024Ca -0.32 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.39 1p3a h GLN 1024Cb 1.21 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.70 1p3a h GLN 1024CO 0.41 0.59 0.38 -0.06 -0.95 0.00 0.00 178.83 179.19 1p3a s PHE 1025N -2.92 3.03 -1.25 2.96 0.40 -1.26 -4.97 117.98 113.97 1p3a s PHE 1025Ca 0.03 1.51 -0.19 0.00 -0.60 0.00 0.00 56.93 57.68 1p3a s PHE 1025Cb 0.08 -2.99 0.07 0.00 0.51 0.00 0.00 43.02 40.69 1p3a s PHE 1025CO 0.76 -1.06 1.67 -1.25 0.70 0.00 0.00 175.22 176.05 1p3a s PRO 1026N -4.08 3.92 0.21 0.24 0.04 -1.26 -4.66 135.00 129.41 1p3a s PRO 1026Ca 0.63 -1.87 -0.11 0.00 0.04 0.00 0.00 61.00 59.69 1p3a s PRO 1026Cb -0.16 -5.49 0.28 0.00 0.04 0.00 0.00 34.50 29.18 1p3a s PRO 1026CO 0.37 -2.23 1.65 0.28 0.04 0.00 0.00 177.00 177.10 1p3a h VAL 1027N 5.75 0.44 -0.88 -0.36 2.07 -1.92 0.29 116.25 121.65 1p3a h VAL 1027Ca 0.40 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.96 1p3a h VAL 1027Cb 0.90 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1p3a h VAL 1027CO 1.44 0.01 0.54 1.23 0.02 0.00 0.00 177.57 180.82 1p3a h GLY 1028N 0.07 1.33 0.62 2.17 0.00 -1.91 -0.98 103.07 104.37 1p3a h GLY 1028Ca 0.32 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1p3a h GLY 1028CO -0.57 0.25 -0.03 -0.09 0.00 0.00 0.00 176.54 176.10 1p3a h ARG 1029N 0.97 -0.07 -0.88 4.80 2.43 -1.44 -2.33 114.38 117.87 1p3a h ARG 1029Ca 0.39 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.75 1p3a h ARG 1029Cb 0.21 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.66 1p3a h ARG 1029CO -0.19 0.30 0.42 0.28 -1.51 0.00 0.00 179.97 179.28 1p3a h VAL 1030N -0.45 0.58 -0.50 0.20 2.07 -0.81 0.37 116.25 117.71 1p3a h VAL 1030Ca -0.01 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1p3a h VAL 1030Cb 0.40 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1p3a h VAL 1030CO 0.01 0.09 0.30 -0.74 0.02 0.00 0.00 177.57 177.25 1p3a h HIS 1031N 0.50 0.56 -0.23 1.57 -0.00 -0.98 -1.04 115.15 115.52 1p3a h HIS 1031Ca 0.52 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.91 1p3a h HIS 1031Cb 0.90 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.12 1p3a h HIS 1031CO -0.11 0.32 0.13 -0.09 -0.00 0.00 0.00 177.93 178.18 1p3a h ARG 1032N 0.60 0.32 0.00 5.26 2.43 0.19 -2.04 114.38 121.14 1p3a h ARG 1032Ca 0.20 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1p3a h ARG 1032Cb 0.02 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1p3a h ARG 1032CO -0.09 0.28 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.52 1p3a h LEU 1033N 0.28 0.00 -0.28 3.80 3.38 -0.55 -1.33 115.31 120.61 1p3a h LEU 1033Ca 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1p3a h LEU 1033Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1p3a h LEU 1033CO -0.01 0.06 -0.72 -0.07 0.09 0.00 0.00 178.44 177.79 1p3a h LEU 1034N 0.00 0.00 0.05 1.67 3.38 -0.49 -2.87 115.31 117.04 1p3a h LEU 1034Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p3a h LEU 1034Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1p3a h LEU 1034CO 0.01 0.72 -0.02 0.03 0.09 0.00 0.00 178.44 179.26 1p3a h ARG 1035N 0.00 -0.06 0.00 1.13 3.08 -0.89 -3.28 114.38 114.36 1p3a h ARG 1035Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p3a h ARG 1035Cb 1.42 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1p3a h ARG 1035CO 0.09 0.47 0.00 1.63 -1.07 0.00 0.00 179.97 181.09 1p3a n LYS 1036N -4.75 0.35 0.00 0.04 5.02 -0.60 -2.41 118.16 115.82 1p3a n LYS 1036Ca -0.06 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.35 1p3a n LYS 1036Cb 0.27 -1.47 0.28 0.00 -0.02 0.00 0.00 35.03 34.09 1p3a n LYS 1036CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p3a n GLY 1037N -0.28 -0.68 3.55 0.72 0.00 -1.08 -4.96 105.19 102.45 1p3a n GLY 1037Ca 0.08 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1p3a n GLY 1037CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p3a n ASN 1038N -0.79 -5.79 -0.01 1.61 5.03 -1.01 -4.88 115.26 109.42 1p3a n ASN 1038Ca 0.10 -0.88 0.04 0.00 0.87 0.00 0.00 54.58 54.71 1p3a n ASN 1038Cb 0.36 -3.83 -0.09 0.00 -1.02 0.00 0.00 39.78 35.20 1p3a n ASN 1038CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1p3a n TYR 1039N -3.74 0.00 -3.75 3.10 4.02 -1.26 -5.06 117.16 110.47 1p3a n TYR 1039Ca -0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.77 1p3a n TYR 1039Cb 0.59 -0.31 -0.01 0.00 -0.02 0.00 0.00 39.34 39.60 1p3a n TYR 1039CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p3a s ALA 1040N -2.73 -1.71 0.11 -0.72 0.00 -1.26 -5.04 121.76 110.41 1p3a s ALA 1040Ca -0.04 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 1p3a s ALA 1040Cb 0.07 0.62 -0.15 0.00 0.00 0.00 0.00 23.12 23.66 1p3a s ALA 1040CO 0.48 -1.05 1.31 0.93 0.00 0.00 0.00 175.76 177.44 1p3a h GLU 1041N 2.00 0.79 -5.19 0.00 4.39 -1.98 -3.46 114.58 111.13 1p3a h GLU 1041Ca -0.25 -0.64 -0.36 0.00 0.34 0.00 0.00 59.36 58.45 1p3a h GLU 1041Cb 1.23 0.13 -0.17 0.00 -0.10 0.00 0.00 28.75 29.84 1p3a h GLU 1041CO 0.26 1.25 -0.74 1.03 -1.16 0.00 0.00 179.01 179.65 1p3a s ARG 1042N -3.76 1.00 -0.15 2.33 0.52 -1.26 -5.13 118.95 112.50 1p3a s ARG 1042Ca -0.10 -1.30 -0.01 0.00 -0.52 0.00 0.00 55.73 53.81 1p3a s ARG 1042Cb 0.09 -0.73 0.04 0.00 0.52 0.00 0.00 34.95 34.87 1p3a s ARG 1042CO 0.90 0.12 -0.04 0.08 0.02 0.00 0.00 175.30 176.38 1p3a s VAL 1043N -2.62 0.98 1.14 3.52 1.01 -1.26 -5.09 120.40 118.08 1p3a s VAL 1043Ca 0.11 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 1p3a s VAL 1043Cb -0.02 -1.16 0.27 0.00 0.00 0.00 0.00 36.38 35.47 1p3a s VAL 1043CO 0.02 0.15 1.04 -0.83 0.00 0.00 0.00 175.10 175.47 1p3a s GLY 1044N 1.69 1.55 0.37 4.51 0.00 -1.26 -4.94 107.32 109.24 1p3a s GLY 1044Ca 0.02 -0.18 0.20 0.00 0.00 0.00 0.00 44.72 44.76 1p3a s GLY 1044CO -0.08 0.53 1.52 0.00 0.00 0.00 0.00 173.10 175.07 1p3a h ALA 1045N -2.51 0.86 0.21 3.20 0.00 -2.03 -3.32 119.26 115.68 1p3a h ALA 1045Ca -0.60 -0.17 -0.34 0.00 0.00 0.00 0.00 54.91 53.80 1p3a h ALA 1045Cb 1.33 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.12 1p3a h ALA 1045CO 0.52 0.23 -1.61 0.78 0.00 0.00 0.00 179.25 179.17 1p3a h GLY 1046N 3.83 0.52 -0.78 0.00 0.00 -2.00 -3.35 103.07 101.27 1p3a h GLY 1046Ca -0.00 -1.32 0.18 0.00 0.00 0.00 0.00 47.33 46.19 1p3a h GLY 1046CO 0.02 1.15 -0.21 0.00 0.00 0.00 0.00 176.54 177.51 1p3a h ALA 1047N 0.12 0.62 0.00 3.60 0.00 -1.95 0.97 119.26 122.61 1p3a h ALA 1047Ca -0.30 0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1p3a h ALA 1047Cb 2.10 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 20.55 1p3a h ALA 1047CO 0.21 -0.40 -0.36 -1.00 0.00 0.00 0.00 179.25 177.70 1p3a h PRO 1048N 0.00 0.00 0.04 0.00 0.13 -1.73 0.13 132.00 130.57 1p3a h PRO 1048Ca 0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.56 1p3a h PRO 1048Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1p3a h PRO 1048CO -0.91 0.36 -0.02 0.28 -0.23 0.00 0.00 178.00 177.48 1p3a h VAL 1049N 0.00 1.33 -0.28 1.56 2.07 0.45 -2.33 116.25 119.05 1p3a h VAL 1049Ca -0.00 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 65.87 1p3a h VAL 1049Cb 0.69 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1p3a h VAL 1049CO 0.05 0.40 0.09 0.22 0.02 0.00 0.00 177.57 178.34 1p3a h TYR 1050N -0.85 0.16 -0.55 1.57 -0.00 0.42 -0.47 116.97 117.24 1p3a h TYR 1050Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.72 1p3a h TYR 1050Cb 0.69 -0.03 -0.03 0.00 -0.00 0.00 0.00 36.73 37.37 1p3a h TYR 1050CO 0.17 0.07 0.27 1.25 -0.00 0.00 0.00 178.16 179.91 1p3a h LEU 1051N 0.21 0.73 -1.18 2.82 5.85 -0.84 -2.17 115.31 120.73 1p3a h LEU 1051Ca 0.13 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1p3a h LEU 1051Cb 0.10 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1p3a h LEU 1051CO -0.14 0.65 0.36 0.00 -0.34 0.00 0.00 178.44 178.97 1p3a h ALA 1052N 1.10 1.37 -0.06 1.25 0.00 -1.02 -2.05 119.26 119.85 1p3a h ALA 1052Ca 0.19 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1p3a h ALA 1052Cb 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1p3a h ALA 1052CO -0.02 0.51 -0.13 0.00 0.00 0.00 0.00 179.25 179.60 1p3a h ALA 1053N 1.46 -0.10 0.00 0.00 0.00 -0.48 -1.81 119.26 118.33 1p3a h ALA 1053Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1p3a h ALA 1053Cb 0.03 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1p3a h ALA 1053CO -0.04 -0.61 -0.07 0.28 0.00 0.00 0.00 179.25 178.82 1p3a h VAL 1054N -0.19 0.73 0.00 0.00 2.07 -0.88 -0.86 116.25 117.12 1p3a h VAL 1054Ca 0.07 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 67.14 1p3a h VAL 1054Cb 0.29 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1p3a h VAL 1054CO -0.18 0.07 -0.99 -0.07 0.02 0.00 0.00 177.57 176.42 1p3a h LEU 1055N 0.00 0.00 -0.00 2.57 3.38 -0.87 -1.55 115.31 118.83 1p3a h LEU 1055Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p3a h LEU 1055Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1p3a h LEU 1055CO 0.01 0.81 -0.01 -0.08 0.09 0.00 0.00 178.44 179.25 1p3a h GLU 1056N 0.00 0.01 -0.37 1.13 4.81 -0.74 -1.88 114.58 117.55 1p3a h GLU 1056Ca -0.06 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1p3a h GLU 1056Cb 1.67 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.01 1p3a h GLU 1056CO 0.09 0.66 0.15 -0.92 -0.73 0.00 0.00 179.01 178.27 1p3a h TYR 1057N -0.63 0.28 -0.57 0.92 3.20 -1.24 0.17 116.97 119.09 1p3a h TYR 1057Ca -0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1p3a h TYR 1057Cb 0.66 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 1p3a h TYR 1057CO 0.15 0.13 0.14 -0.07 -1.64 0.00 0.00 178.16 176.87 1p3a h LEU 1058N 0.32 0.83 -0.34 2.82 3.38 -1.34 -0.92 115.31 120.07 1p3a h LEU 1058Ca 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1p3a h LEU 1058Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1p3a h LEU 1058CO -0.14 0.81 0.17 0.74 0.09 0.00 0.00 178.44 180.11 1p3a h THR 1059N 0.85 1.15 -0.56 0.22 2.02 -0.75 -2.55 112.91 113.29 1p3a h THR 1059Ca 0.19 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1p3a h THR 1059Cb 0.31 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1p3a h THR 1059CO -0.00 0.15 0.32 0.00 0.37 0.00 0.00 175.52 176.36 1p3a h ALA 1060N 1.03 0.73 -0.33 6.16 0.00 -0.20 -1.68 119.26 124.97 1p3a h ALA 1060Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1p3a h ALA 1060Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1p3a h ALA 1060CO -0.02 0.02 0.14 1.49 0.00 0.00 0.00 179.25 180.88 1p3a h GLU 1061N 0.63 0.28 -0.12 0.00 4.57 -0.90 -0.46 114.58 118.58 1p3a h GLU 1061Ca 0.24 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 1p3a h GLU 1061Cb 0.08 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1p3a h GLU 1061CO -0.13 0.19 -0.10 0.82 -1.18 0.00 0.00 179.01 178.61 1p3a h ILE 1062N 0.29 1.34 -0.36 2.32 2.04 -1.21 -2.70 117.51 119.24 1p3a h ILE 1062Ca 0.15 -1.22 0.05 0.00 1.00 0.00 0.00 64.86 64.83 1p3a h ILE 1062Cb 0.10 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 1p3a h ILE 1062CO -0.13 0.35 0.10 -0.07 0.00 0.00 0.00 178.15 178.40 1p3a h LEU 1063N -0.10 0.09 -0.50 1.44 3.38 -1.21 -0.36 115.31 118.04 1p3a h LEU 1063Ca 0.02 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1p3a h LEU 1063Cb 0.60 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 1p3a h LEU 1063CO 0.03 0.09 -0.11 -0.08 0.09 0.00 0.00 178.44 178.45 1p3a h GLU 1064N 0.24 0.01 -0.28 1.13 4.57 -1.10 0.28 114.58 119.44 1p3a h GLU 1064Ca 0.16 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.19 1p3a h GLU 1064Cb 0.16 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1p3a h GLU 1064CO -0.19 0.01 -0.45 -0.07 -1.18 0.00 0.00 179.01 177.13 1p3a h LEU 1065N 0.01 0.77 -0.81 1.64 3.38 -1.09 -2.63 115.31 116.59 1p3a h LEU 1065Ca 0.24 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1p3a h LEU 1065Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1p3a h LEU 1065CO -0.50 1.11 -0.44 0.00 0.09 0.00 0.00 178.44 178.69 1p3a h ALA 1066N 0.92 0.95 -0.18 1.53 0.00 -0.42 -1.43 119.26 120.63 1p3a h ALA 1066Ca 0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1p3a h ALA 1066Cb 1.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1p3a h ALA 1066CO 0.10 0.55 -0.03 0.78 0.00 0.00 0.00 179.25 180.65 1p3a h GLY 1067N 2.16 0.36 0.55 0.00 0.00 -0.41 -1.28 103.07 104.45 1p3a h GLY 1067Ca -0.00 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.10 1p3a h GLY 1067CO 0.06 0.26 0.14 3.43 0.00 0.00 0.00 176.54 180.43 1p3a h ASN 1068N 0.05 0.12 -0.21 0.19 4.21 -1.07 -0.04 115.58 118.82 1p3a h ASN 1068Ca 0.05 0.06 0.06 0.00 1.21 0.00 0.00 56.30 57.68 1p3a h ASN 1068Cb 0.46 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1p3a h ASN 1068CO 0.02 0.10 0.17 0.00 -1.29 0.00 0.00 177.43 176.43 1p3a h ALA 1069N 1.31 2.05 0.05 -0.83 0.00 -0.98 -0.00 119.26 120.85 1p3a h ALA 1069Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1p3a h ALA 1069Cb 0.23 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1p3a h ALA 1069CO -0.23 -0.28 -0.38 0.00 0.00 0.00 0.00 179.25 178.35 1p3a h ALA 1070N 1.85 -0.01 -0.57 0.00 0.00 0.14 -2.92 119.26 117.75 1p3a h ALA 1070Ca 0.10 -0.62 0.11 0.00 0.00 0.00 0.00 54.91 54.50 1p3a h ALA 1070Cb 0.45 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1p3a h ALA 1070CO -0.00 0.19 0.11 -0.09 0.00 0.00 0.00 179.25 179.46 1p3a h ARG 1071N -0.77 0.24 -0.63 0.00 2.43 -0.72 0.62 114.38 115.54 1p3a h ARG 1071Ca -0.07 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1p3a h ARG 1071Cb 1.25 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1p3a h ARG 1071CO 0.04 0.16 0.42 0.22 -1.51 0.00 0.00 179.97 179.30 1p3a h ASP 1072N 0.25 0.39 -0.34 -3.80 1.82 -1.07 0.27 116.42 113.94 1p3a h ASP 1072Ca 0.30 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 1p3a h ASP 1072Cb 0.43 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1p3a h ASP 1072CO -0.39 0.23 0.00 0.59 -1.61 0.00 0.00 179.24 178.06 1p3a n ASN 1073N -4.47 2.53 -2.33 2.28 3.02 -0.34 -4.93 115.26 111.02 1p3a n ASN 1073Ca 0.11 -1.89 -0.11 0.00 -0.03 0.00 0.00 54.58 52.65 1p3a n ASN 1073Cb 0.39 -0.22 0.05 0.00 -0.61 0.00 0.00 39.78 39.38 1p3a n ASN 1073CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p3a n LYS 1074N 0.89 -4.06 -4.14 3.52 4.76 0.96 -5.06 118.16 115.02 1p3a n LYS 1074Ca 0.17 0.48 -0.15 0.00 -2.87 0.00 0.00 58.31 55.94 1p3a n LYS 1074Cb 0.44 -4.42 -0.11 0.00 -1.84 0.00 0.00 35.03 29.10 1p3a n LYS 1074CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1p3a s LYS 1075N -5.14 0.75 -0.10 1.97 1.02 0.06 -5.00 119.74 113.30 1p3a s LYS 1075Ca 0.13 -1.00 0.15 0.00 0.02 0.00 0.00 55.97 55.27 1p3a s LYS 1075Cb -0.06 -0.53 -0.23 0.00 -0.52 0.00 0.00 37.83 36.50 1p3a s LYS 1075CO 0.41 0.09 0.20 0.25 -0.92 0.00 0.00 175.35 175.39 1p3a n THR 1076N 0.98 0.59 -3.56 2.17 -2.24 -1.26 -3.21 114.28 107.75 1p3a n THR 1076Ca -0.19 -0.54 -0.38 0.00 -2.27 0.00 0.00 64.05 60.67 1p3a n THR 1076Cb 0.56 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 1p3a n THR 1076CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1p3a s ARG 1077N -2.74 4.05 0.12 -0.78 3.52 -1.26 -5.00 118.95 116.86 1p3a s ARG 1077Ca -0.07 -0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 1p3a s ARG 1077Cb 0.07 -3.59 -0.07 0.00 -1.56 0.00 0.00 34.95 29.81 1p3a s ARG 1077CO 0.67 -0.07 1.21 0.42 -0.81 0.00 0.00 175.30 176.72 1p3a s ILE 1078N 1.42 3.78 0.34 4.11 1.01 -1.26 -5.03 121.20 125.57 1p3a s ILE 1078Ca 0.10 1.38 0.09 0.00 0.00 0.00 0.00 60.65 62.21 1p3a s ILE 1078Cb -0.15 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 1p3a s ILE 1078CO 0.07 0.16 -0.07 0.27 0.00 0.00 0.00 174.94 175.38 1p3a s ILE 1079N 0.52 2.08 0.36 2.92 -4.36 -1.26 -4.99 121.20 116.47 1p3a s ILE 1079Ca 0.56 -2.16 0.18 0.00 -0.26 0.00 0.00 60.65 58.97 1p3a s ILE 1079Cb -0.31 -2.66 0.35 0.00 1.25 0.00 0.00 42.46 41.08 1p3a s ILE 1079CO 0.33 -0.19 1.63 -0.65 0.24 0.00 0.00 174.94 176.30 1p3a h PRO 1080N 2.03 0.17 -0.11 0.37 0.11 -1.89 1.35 132.00 134.04 1p3a h PRO 1080Ca -0.42 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.70 1p3a h PRO 1080Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1p3a h PRO 1080CO 0.71 0.12 0.08 -0.09 -0.21 0.00 0.00 178.00 178.60 1p3a h ARG 1081N 0.18 0.06 0.00 1.05 9.65 -1.82 0.16 114.38 123.66 1p3a h ARG 1081Ca 0.79 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.66 1p3a h ARG 1081Cb 1.96 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.53 1p3a h ARG 1081CO -0.66 0.04 -0.11 0.72 2.80 0.00 0.00 179.97 182.76 1p3a n HIS 1082N -4.51 0.31 -0.00 2.20 8.25 0.46 -1.68 115.22 120.24 1p3a n HIS 1082Ca -0.01 0.09 -0.21 0.00 -0.26 0.00 0.00 57.72 57.33 1p3a n HIS 1082Cb 0.15 -0.61 -0.14 0.00 1.12 0.00 0.00 29.99 30.52 1p3a n HIS 1082CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1p3a h LEU 1083N 0.00 0.33 0.08 2.41 3.38 -0.44 -3.21 115.31 117.87 1p3a h LEU 1083Ca 0.00 -0.84 0.02 0.00 0.09 0.00 0.00 57.88 57.16 1p3a h LEU 1083Cb 0.59 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1p3a h LEU 1083CO 0.00 1.57 -0.29 -0.61 0.09 0.00 0.00 178.44 179.21 1p3a h GLN 1084N -0.39 -0.47 -0.88 1.13 5.75 -0.92 -1.41 115.11 117.92 1p3a h GLN 1084Ca -0.29 0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.29 1p3a h GLN 1084Cb 1.69 0.11 -0.06 0.00 1.07 0.00 0.00 27.48 30.28 1p3a h GLN 1084CO 0.04 -0.31 0.56 -0.07 -2.65 0.00 0.00 178.83 176.39 1p3a h LEU 1085N -0.48 0.90 -0.57 -2.39 3.38 -1.49 -1.67 115.31 112.99 1p3a h LEU 1085Ca 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1p3a h LEU 1085Cb 0.53 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1p3a h LEU 1085CO -0.19 0.59 0.21 0.00 0.09 0.00 0.00 178.44 179.14 1p3a h ALA 1086N 1.39 0.74 0.71 1.53 0.00 -1.47 -2.65 119.26 119.51 1p3a h ALA 1086Ca 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1p3a h ALA 1086Cb 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1p3a h ALA 1086CO -0.15 0.38 -0.34 0.28 0.00 0.00 0.00 179.25 179.42 1p3a h VAL 1087N 0.79 0.00 0.00 0.00 2.07 -0.69 -3.29 116.25 115.12 1p3a h VAL 1087Ca 0.19 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1p3a h VAL 1087Cb 0.24 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1p3a h VAL 1087CO -0.01 0.00 -0.20 0.03 0.02 0.00 0.00 177.57 177.41 1p3a h ARG 1088N -1.15 0.00 -1.73 1.57 2.47 -1.42 -2.50 114.38 111.62 1p3a h ARG 1088Ca -0.10 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.48 1p3a h ARG 1088Cb 0.73 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.98 1p3a h ARG 1088CO 0.16 0.20 0.19 0.09 0.56 0.00 0.00 179.97 181.17 1p3a n ASN 1089N -4.01 5.68 -3.24 7.04 3.02 -1.00 -4.61 115.26 118.14 1p3a n ASN 1089Ca -0.02 -2.69 -0.04 0.00 -0.03 0.00 0.00 54.58 51.81 1p3a n ASN 1089Cb 0.28 -1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 38.36 1p3a n ASN 1089CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p3a s ASP 1090N 1.12 -0.56 0.04 6.41 2.15 -0.95 -5.00 116.67 119.88 1p3a s ASP 1090Ca 0.14 -0.47 -0.07 0.00 0.43 0.00 0.00 52.55 52.58 1p3a s ASP 1090Cb 0.11 1.51 -0.02 0.00 -0.30 0.00 0.00 42.92 44.23 1p3a s ASP 1090CO -0.00 -0.28 0.43 1.21 -0.17 0.00 0.00 175.17 176.35 1p3a n GLU 1091N 5.00 -0.10 0.36 4.34 2.13 -1.26 -0.33 120.64 130.78 1p3a n GLU 1091Ca 0.06 0.42 -0.14 0.00 0.66 0.00 0.00 57.16 58.16 1p3a n GLU 1091Cb 0.52 -0.62 -0.07 0.00 0.27 0.00 0.00 31.44 31.54 1p3a n GLU 1091CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1p3a h GLU 1092N 0.00 -0.89 -0.97 5.31 5.08 -1.97 -0.58 114.58 120.57 1p3a h GLU 1092Ca 0.04 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.55 1p3a h GLU 1092Cb 0.09 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1p3a h GLU 1092CO -0.21 -0.59 0.62 -0.07 -1.00 0.00 0.00 179.01 177.75 1p3a h LEU 1093N -1.02 0.92 -1.51 1.33 3.38 -1.71 0.20 115.31 116.90 1p3a h LEU 1093Ca -0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1p3a h LEU 1093Cb 0.70 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1p3a h LEU 1093CO 0.15 0.53 0.32 -1.13 0.09 0.00 0.00 178.44 178.41 1p3a h ASN 1094N 1.01 0.57 0.09 -0.43 -1.24 -0.57 0.16 115.58 115.16 1p3a h ASN 1094Ca 0.45 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.44 1p3a h ASN 1094Cb 0.37 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1p3a h ASN 1094CO -0.21 0.41 -0.04 0.50 -1.29 0.00 0.00 177.43 176.81 1p3a h LYS 1095N 0.67 -0.11 -0.23 6.67 3.64 0.95 -1.52 116.57 126.64 1p3a h LYS 1095Ca 0.18 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1p3a h LYS 1095Cb -0.07 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1p3a h LYS 1095CO -0.04 0.31 0.26 1.25 -2.27 0.00 0.00 179.45 178.96 1p3a h LEU 1096N -0.57 0.00 -3.13 5.20 5.85 0.05 0.88 115.31 123.59 1p3a h LEU 1096Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1p3a h LEU 1096Cb 0.47 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1p3a h LEU 1096CO 0.02 0.00 -0.34 0.18 -0.34 0.00 0.00 178.44 177.96 1p3a n LEU 1097N -3.74 3.24 0.27 2.25 4.77 0.46 -4.80 117.00 119.45 1p3a n LEU 1097Ca 0.03 -3.86 0.18 0.00 -0.03 0.00 0.00 56.01 52.33 1p3a n LEU 1097Cb 0.39 -0.57 0.93 0.00 -2.33 0.00 0.00 43.42 41.84 1p3a n LEU 1097CO 0.27 1.35 1.15 1.23 -1.33 0.00 0.00 177.39 180.06 1p3a h GLY 1098N 0.99 0.00 -2.31 -0.72 0.00 0.27 -2.16 103.07 99.15 1p3a h GLY 1098Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.24 1p3a h GLY 1098CO 0.15 0.00 -0.71 0.54 0.00 0.00 0.00 176.54 176.51 1p3a n ARG 1099N -3.57 1.80 -4.77 4.80 1.74 -1.26 -5.01 116.66 110.37 1p3a n ARG 1099Ca -0.01 -3.30 -0.33 0.00 -0.77 0.00 0.00 57.85 53.44 1p3a n ARG 1099Cb 0.22 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.04 1p3a n ARG 1099CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p3a s VAL 1100N -3.04 3.28 -0.22 1.55 1.01 -0.81 -5.10 120.40 117.06 1p3a s VAL 1100Ca 0.39 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1p3a s VAL 1100Cb 0.38 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1p3a s VAL 1100CO -0.06 0.58 -0.07 -0.89 0.00 0.00 0.00 175.10 174.65 1p3a s THR 1101N -0.50 2.98 -0.49 3.92 2.01 -1.26 -5.03 115.64 117.26 1p3a s THR 1101Ca 0.07 -0.77 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 1p3a s THR 1101Cb -0.12 -2.40 0.04 0.00 0.01 0.00 0.00 72.50 70.03 1p3a s THR 1101CO 0.02 0.36 0.75 -0.63 -0.69 0.00 0.00 174.62 174.42 1p3a s ILE 1102N 1.39 4.69 0.41 1.82 1.01 -1.26 -5.03 121.20 124.23 1p3a s ILE 1102Ca 0.04 0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.46 1p3a s ILE 1102Cb -0.15 -4.35 -0.11 0.00 0.01 0.00 0.00 42.46 37.86 1p3a s ILE 1102CO -0.05 -0.83 0.94 0.00 0.00 0.00 0.00 174.94 174.99 1p3a n ALA 1103N 6.65 -0.13 -2.02 9.38 0.00 -1.26 -1.26 120.51 131.88 1p3a n ALA 1103Ca -0.02 0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.50 1p3a n ALA 1103Cb 0.47 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 1p3a n ALA 1103CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1p3a n GLN 1104N 0.25 -1.73 -0.03 0.00 1.13 -1.26 -4.85 117.38 110.89 1p3a n GLN 1104Ca 0.10 0.83 -0.09 0.00 -1.94 0.00 0.00 57.00 55.90 1p3a n GLN 1104Cb 0.38 -5.32 -0.14 0.00 0.11 0.00 0.00 30.24 25.27 1p3a n GLN 1104CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3a n GLY 1105N -0.64 -0.99 7.00 1.08 0.00 -0.39 -3.88 105.19 107.38 1p3a n GLY 1105Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1p3a n GLY 1105CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3a n GLY 1106N 1.58 -1.28 3.24 -0.02 0.00 -1.26 -4.62 105.19 102.83 1p3a n GLY 1106Ca -0.19 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 1p3a n GLY 1106CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3a s VAL 1107N 0.00 1.15 0.59 1.61 -7.23 -1.26 -5.05 120.40 110.21 1p3a s VAL 1107Ca 0.00 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 57.97 1p3a s VAL 1107Cb 0.00 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1p3a s VAL 1107CO 0.00 -0.73 1.13 -0.76 -0.31 0.00 0.00 175.10 174.43 1p3a s LEU 1108N -3.10 3.62 -0.21 1.32 1.43 -1.26 -4.93 118.68 115.55 1p3a s LEU 1108Ca 0.16 2.14 -0.29 0.00 -1.03 0.00 0.00 54.13 55.10 1p3a s LEU 1108Cb 0.02 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1p3a s LEU 1108CO 0.00 -1.39 1.48 -2.84 0.23 0.00 0.00 176.35 173.83 1p3a s PRO 1109N -3.56 3.94 -0.20 1.29 0.02 -1.26 -4.96 135.00 130.27 1p3a s PRO 1109Ca 0.71 1.62 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 1p3a s PRO 1109Cb -0.23 -3.95 0.06 0.00 0.02 0.00 0.00 34.50 30.40 1p3a s PRO 1109CO 0.32 -1.11 0.52 1.21 -0.33 0.00 0.00 177.00 177.61 1p3a s ASN 1110N 3.40 -0.62 -0.08 2.53 2.47 -1.26 -5.14 114.94 116.24 1p3a s ASN 1110Ca 0.65 1.09 -0.00 0.00 0.42 0.00 0.00 52.86 55.02 1p3a s ASN 1110Cb -0.23 1.03 0.02 0.00 -1.45 0.00 0.00 41.25 40.62 1p3a s ASN 1110CO 0.25 -0.20 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.75 1p3a s ILE 1111N 0.99 0.76 -0.06 -5.21 1.01 -1.26 -5.09 121.20 112.34 1p3a s ILE 1111Ca -0.06 -0.16 -0.34 0.00 0.00 0.00 0.00 60.65 60.09 1p3a s ILE 1111Cb -0.06 -0.81 -0.12 0.00 0.01 0.00 0.00 42.46 41.49 1p3a s ILE 1111CO -0.09 0.31 1.84 0.00 0.00 0.00 0.00 174.94 177.00 1p3a n GLN 1112N 4.70 2.18 -0.23 2.79 1.13 -1.26 -4.85 117.38 121.84 1p3a n GLN 1112Ca -0.14 0.80 -0.03 0.00 -1.94 0.00 0.00 57.00 55.69 1p3a n GLN 1112Cb 0.50 -2.64 0.04 0.00 0.11 0.00 0.00 30.24 28.25 1p3a n GLN 1112CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1p3a h SER 1113N 8.80 -1.01 0.00 1.08 4.64 -1.99 0.36 113.55 125.43 1p3a h SER 1113Ca -0.48 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1p3a h SER 1113Cb 1.27 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 1p3a h SER 1113CO 0.94 -0.28 0.05 0.55 -0.87 0.00 0.00 176.83 177.22 1p3a n VAL 1114N -5.45 0.54 0.93 0.95 3.14 -1.26 -0.45 118.33 116.72 1p3a n VAL 1114Ca 0.06 0.19 0.09 0.00 -2.96 0.00 0.00 64.34 61.73 1p3a n VAL 1114Cb 0.36 -1.19 -0.11 0.00 -1.06 0.00 0.00 33.84 31.84 1p3a n VAL 1114CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1p3a n LEU 1115N -1.05 0.93 -4.80 6.55 4.77 0.11 -4.97 117.00 118.54 1p3a n LEU 1115Ca 0.00 -0.50 -0.34 0.00 -0.03 0.00 0.00 56.01 55.14 1p3a n LEU 1115Cb 0.05 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1p3a n LEU 1115CO 0.00 0.23 0.72 -0.76 -1.33 0.00 0.00 177.39 176.25 1p3a s LEU 1116N -2.94 3.79 0.34 2.23 1.43 0.40 -4.98 118.68 118.95 1p3a s LEU 1116Ca 0.07 1.92 -0.28 0.00 -1.03 0.00 0.00 54.13 54.82 1p3a s LEU 1116Cb 0.15 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.69 1p3a s LEU 1116CO 0.81 -0.86 1.33 -0.81 0.23 0.00 0.00 176.35 177.05 1p3a n PRO 1117N -1.15 2.22 -1.98 1.29 -0.04 -1.26 -4.83 135.00 129.25 1p3a n PRO 1117Ca 0.09 0.78 -0.33 0.00 -0.04 0.00 0.00 63.50 64.00 1p3a n PRO 1117Cb 0.52 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.56 1p3a n PRO 1117CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1p3a s LYS 1118N -1.80 2.51 0.00 0.54 1.02 -1.26 -5.16 119.74 115.59 1p3a s LYS 1118Ca 0.56 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.91 1p3a s LYS 1118Cb -0.56 -4.65 0.00 0.00 -0.52 0.00 0.00 37.83 32.11 1p3a s LYS 1118CO 0.61 -3.07 0.46 1.63 -0.92 0.00 0.00 175.35 174.07