#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3i h ARG 1017N 0.00 0.36 -0.52 -0.78 3.08 -2.00 -1.11 114.38 113.41 1p3i h ARG 1017Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1p3i h ARG 1017Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1p3i h ARG 1017CO 0.00 0.34 0.13 0.77 -1.07 0.00 0.00 179.97 180.13 1p3i h SER 1018N 0.36 0.74 -0.01 7.04 0.02 -1.87 -2.35 113.55 117.48 1p3i h SER 1018Ca 0.09 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1p3i h SER 1018Cb 0.14 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1p3i h SER 1018CO -0.00 0.73 0.00 0.28 -1.14 0.00 0.00 176.83 176.70 1p3i h SER 1019N 0.77 0.01 -0.09 3.07 0.02 -1.43 0.37 113.55 116.27 1p3i h SER 1019Ca 0.17 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1p3i h SER 1019Cb 0.28 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1p3i h SER 1019CO -0.00 0.12 0.06 0.03 -1.14 0.00 0.00 176.83 175.90 1p3i h ARG 1020N -0.10 0.07 0.00 3.45 3.08 -1.31 -0.84 114.38 118.74 1p3i h ARG 1020Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p3i h ARG 1020Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1p3i h ARG 1020CO -0.00 0.05 -0.66 0.00 -1.07 0.00 0.00 179.97 178.29 1p3i n ALA 1021N -2.54 3.17 -2.75 0.04 0.00 -0.90 -4.96 120.51 112.57 1p3i n ALA 1021Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.06 1p3i n ALA 1021Cb 0.12 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.47 1p3i n ALA 1021CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3i n GLY 1022N 1.39 0.42 3.36 0.00 0.00 0.10 -5.05 105.19 105.41 1p3i n GLY 1022Ca 0.04 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1p3i n GLY 1022CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3i s LEU 1023N -3.06 2.44 0.00 0.99 1.43 0.47 -5.02 118.68 115.93 1p3i s LEU 1023Ca 0.14 -0.87 0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1p3i s LEU 1023Cb -0.06 -0.92 -0.19 0.00 0.03 0.00 0.00 46.19 45.05 1p3i s LEU 1023CO 0.23 0.01 0.71 0.00 0.23 0.00 0.00 176.35 177.53 1p3i n GLN 1024N 0.25 0.63 -2.56 1.70 1.13 -1.26 -4.43 117.38 112.83 1p3i n GLN 1024Ca -0.13 0.24 -0.40 0.00 -1.94 0.00 0.00 57.00 54.78 1p3i n GLN 1024Cb 0.57 -1.79 -0.05 0.00 0.11 0.00 0.00 30.24 29.08 1p3i n GLN 1024CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1p3i s PHE 1025N -2.76 3.70 -0.74 1.08 0.40 -1.26 -4.95 117.98 113.45 1p3i s PHE 1025Ca -0.04 1.77 -0.26 0.00 -0.60 0.00 0.00 56.93 57.80 1p3i s PHE 1025Cb 0.08 -3.19 -0.07 0.00 0.51 0.00 0.00 43.02 40.35 1p3i s PHE 1025CO 0.82 -0.23 2.14 -1.25 0.70 0.00 0.00 175.22 177.40 1p3i s PRO 1026N -1.38 2.21 0.18 0.24 0.04 -1.26 -4.75 135.00 130.27 1p3i s PRO 1026Ca 0.44 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.75 1p3i s PRO 1026Cb -0.30 -4.77 0.13 0.00 0.04 0.00 0.00 34.50 29.60 1p3i s PRO 1026CO 0.38 -3.56 1.81 0.28 0.04 0.00 0.00 177.00 175.95 1p3i h VAL 1027N 7.39 1.02 -0.69 -0.36 2.07 -1.91 -0.84 116.25 122.92 1p3i h VAL 1027Ca -0.06 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1p3i h VAL 1027Cb 1.08 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1p3i h VAL 1027CO 1.14 0.11 0.38 1.23 0.02 0.00 0.00 177.57 180.45 1p3i h GLY 1028N 0.60 1.03 0.99 2.17 0.00 -1.94 -1.11 103.07 104.81 1p3i h GLY 1028Ca 0.22 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1p3i h GLY 1028CO -0.12 0.45 0.22 -0.09 0.00 0.00 0.00 176.54 177.00 1p3i h ARG 1029N 0.95 0.85 -0.63 4.80 2.43 -1.87 -0.55 114.38 120.36 1p3i h ARG 1029Ca 0.24 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1p3i h ARG 1029Cb 0.03 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1p3i h ARG 1029CO -0.04 0.74 0.34 0.28 -1.51 0.00 0.00 179.97 179.78 1p3i h VAL 1030N 0.78 1.19 -0.06 0.20 2.07 -0.79 0.20 116.25 119.84 1p3i h VAL 1030Ca 0.19 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1p3i h VAL 1030Cb 0.21 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1p3i h VAL 1030CO -0.01 0.21 0.01 -0.74 0.02 0.00 0.00 177.57 177.06 1p3i h HIS 1031N 0.88 0.11 -0.19 1.57 -0.00 -0.68 -0.47 115.15 116.37 1p3i h HIS 1031Ca 0.22 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.60 1p3i h HIS 1031Cb 0.03 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1p3i h HIS 1031CO 0.01 0.32 0.06 -0.09 -0.00 0.00 0.00 177.93 178.22 1p3i h ARG 1032N -0.13 0.14 -0.28 5.26 2.43 -0.50 -1.89 114.38 119.40 1p3i h ARG 1032Ca 0.02 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1p3i h ARG 1032Cb 0.27 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1p3i h ARG 1032CO 0.00 0.09 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.46 1p3i h LEU 1033N 0.14 0.41 -0.51 3.80 3.38 -0.48 -1.21 115.31 120.84 1p3i h LEU 1033Ca 0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1p3i h LEU 1033Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1p3i h LEU 1033CO -0.10 0.49 0.13 -0.07 0.09 0.00 0.00 178.44 178.99 1p3i h LEU 1034N 0.42 0.77 -0.19 1.67 3.38 -0.40 -1.38 115.31 119.58 1p3i h LEU 1034Ca 0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1p3i h LEU 1034Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1p3i h LEU 1034CO 0.01 0.80 -0.03 0.03 0.09 0.00 0.00 178.44 179.34 1p3i h ARG 1035N 0.71 0.36 0.00 1.13 3.08 -0.97 -2.90 114.38 115.78 1p3i h ARG 1035Ca 0.16 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1p3i h ARG 1035Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1p3i h ARG 1035CO 0.00 0.60 0.00 1.63 -1.07 0.00 0.00 179.97 181.13 1p3i n LYS 1036N -4.66 0.08 0.00 0.04 4.76 -0.49 -2.74 118.16 115.15 1p3i n LYS 1036Ca -0.05 0.16 0.14 0.00 -2.87 0.00 0.00 58.31 55.69 1p3i n LYS 1036Cb 0.26 -1.50 0.61 0.00 -1.84 0.00 0.00 35.03 32.55 1p3i n LYS 1036CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p3i n GLY 1037N 0.41 -0.22 3.30 0.72 0.00 -0.53 -4.94 105.19 103.93 1p3i n GLY 1037Ca 0.06 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 1p3i n GLY 1037CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p3i n ASN 1038N -0.08 -5.47 0.09 1.61 5.03 -1.11 -4.88 115.26 110.45 1p3i n ASN 1038Ca 0.20 -0.41 -0.04 0.00 0.87 0.00 0.00 54.58 55.20 1p3i n ASN 1038Cb 0.31 -4.41 -0.03 0.00 -1.02 0.00 0.00 39.78 34.63 1p3i n ASN 1038CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1p3i h TYR 1039N -1.59 0.00 -2.38 3.10 -1.99 -1.82 -3.48 116.97 108.81 1p3i h TYR 1039Ca -0.52 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.34 1p3i h TYR 1039Cb 1.35 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.97 1p3i h TYR 1039CO 0.56 0.84 0.46 0.00 -0.00 0.00 0.00 178.16 180.02 1p3i s ALA 1040N -2.94 -1.71 0.21 3.88 0.00 -1.26 -5.04 121.76 114.89 1p3i s ALA 1040Ca 0.01 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 1p3i s ALA 1040Cb 0.10 0.56 0.16 0.00 0.00 0.00 0.00 23.12 23.95 1p3i s ALA 1040CO 0.79 -0.86 1.81 1.49 0.00 0.00 0.00 175.76 179.00 1p3i h GLU 1041N 2.00 1.12 -5.43 0.00 4.81 -1.98 -3.45 114.58 111.66 1p3i h GLU 1041Ca -0.24 -0.15 -0.42 0.00 -0.13 0.00 0.00 59.36 58.42 1p3i h GLU 1041Cb 1.24 -0.21 -0.18 0.00 0.63 0.00 0.00 28.75 30.23 1p3i h GLU 1041CO 0.29 0.85 -0.76 1.03 -0.73 0.00 0.00 179.01 179.70 1p3i s ARG 1042N -5.76 1.05 -0.11 1.92 0.52 -1.26 -5.12 118.95 110.19 1p3i s ARG 1042Ca -0.13 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.82 1p3i s ARG 1042Cb 0.15 -0.91 0.02 0.00 0.52 0.00 0.00 34.95 34.73 1p3i s ARG 1042CO 0.82 0.17 -0.09 0.08 0.02 0.00 0.00 175.30 176.29 1p3i s VAL 1043N -2.23 1.12 0.99 3.52 1.01 -1.26 -5.09 120.40 118.46 1p3i s VAL 1043Ca 0.10 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1p3i s VAL 1043Cb -0.04 -1.10 0.18 0.00 0.00 0.00 0.00 36.38 35.42 1p3i s VAL 1043CO 0.03 0.38 1.09 -0.83 0.00 0.00 0.00 175.10 175.77 1p3i s GLY 1044N 1.46 1.62 0.21 4.51 0.00 -1.26 -4.95 107.32 108.91 1p3i s GLY 1044Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.87 1p3i s GLY 1044CO -0.06 0.70 1.55 0.00 0.00 0.00 0.00 173.10 175.28 1p3i h ALA 1045N -2.01 0.77 0.00 3.20 0.00 -2.04 -3.23 119.26 115.96 1p3i h ALA 1045Ca -0.51 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 53.87 1p3i h ALA 1045Cb 1.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1p3i h ALA 1045CO 0.48 0.67 -0.26 0.78 0.00 0.00 0.00 179.25 180.92 1p3i h GLY 1046N 1.06 0.00 0.78 0.00 0.00 -2.01 -3.35 103.07 99.55 1p3i h GLY 1046Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.37 1p3i h GLY 1046CO 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.51 1p3i h ALA 1047N 1.74 -0.19 -0.08 3.60 0.00 -1.94 0.23 119.26 122.63 1p3i h ALA 1047Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p3i h ALA 1047Cb 1.07 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1p3i h ALA 1047CO 0.03 -0.63 0.05 -1.00 0.00 0.00 0.00 179.25 177.71 1p3i h PRO 1048N -0.23 0.11 -0.07 0.00 0.13 -1.74 0.33 132.00 130.53 1p3i h PRO 1048Ca 0.02 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 1p3i h PRO 1048Cb 0.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.36 1p3i h PRO 1048CO -0.07 0.08 -0.13 0.28 -0.23 0.00 0.00 178.00 177.92 1p3i h VAL 1049N 0.11 1.40 -0.06 1.56 2.07 -1.50 -0.36 116.25 119.48 1p3i h VAL 1049Ca 0.03 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1p3i h VAL 1049Cb -0.01 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1p3i h VAL 1049CO -0.01 0.39 0.03 0.22 0.02 0.00 0.00 177.57 178.23 1p3i h TYR 1050N -0.26 0.07 -0.59 1.57 3.20 -0.56 -1.41 116.97 119.00 1p3i h TYR 1050Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1p3i h TYR 1050Cb 0.70 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1p3i h TYR 1050CO 0.11 0.09 0.37 1.25 -1.64 0.00 0.00 178.16 178.33 1p3i h LEU 1051N 0.04 0.70 -0.89 2.82 5.85 -0.97 -1.26 115.31 121.59 1p3i h LEU 1051Ca 0.02 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1p3i h LEU 1051Cb 0.03 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1p3i h LEU 1051CO -0.00 0.54 0.55 0.00 -0.34 0.00 0.00 178.44 179.18 1p3i h ALA 1052N 1.19 1.13 -0.53 1.25 0.00 -0.83 -1.09 119.26 120.38 1p3i h ALA 1052Ca 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1p3i h ALA 1052Cb -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1p3i h ALA 1052CO -0.04 0.58 0.16 0.00 0.00 0.00 0.00 179.25 179.95 1p3i h ALA 1053N 1.30 0.70 -0.37 0.00 0.00 -0.75 -0.85 119.26 119.29 1p3i h ALA 1053Ca 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1p3i h ALA 1053Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1p3i h ALA 1053CO -0.06 0.36 0.19 0.28 0.00 0.00 0.00 179.25 180.02 1p3i h VAL 1054N 0.74 1.15 -0.78 0.00 2.07 -0.65 0.16 116.25 118.95 1p3i h VAL 1054Ca 0.17 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1p3i h VAL 1054Cb 0.29 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1p3i h VAL 1054CO -0.00 0.16 0.47 -0.07 0.02 0.00 0.00 177.57 178.14 1p3i h LEU 1055N 0.47 0.72 -0.18 2.57 3.38 -1.00 -0.81 115.31 120.46 1p3i h LEU 1055Ca 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1p3i h LEU 1055Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1p3i h LEU 1055CO -0.02 0.47 0.01 -0.08 0.09 0.00 0.00 178.44 178.90 1p3i h GLU 1056N 0.86 0.31 -0.28 1.13 4.81 -0.78 -1.72 114.58 118.91 1p3i h GLU 1056Ca 0.34 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1p3i h GLU 1056Cb 0.17 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1p3i h GLU 1056CO -0.17 0.51 0.14 -0.92 -0.73 0.00 0.00 179.01 177.83 1p3i h TYR 1057N 0.06 0.25 -0.44 0.92 3.20 -0.58 0.71 116.97 121.10 1p3i h TYR 1057Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1p3i h TYR 1057Cb 0.37 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1p3i h TYR 1057CO 0.03 0.14 0.22 -0.07 -1.64 0.00 0.00 178.16 176.84 1p3i h LEU 1058N 0.29 0.53 -0.31 2.82 3.38 -1.11 0.43 115.31 121.34 1p3i h LEU 1058Ca 0.12 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1p3i h LEU 1058Cb 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1p3i h LEU 1058CO -0.08 0.45 -0.06 0.74 0.09 0.00 0.00 178.44 179.57 1p3i h THR 1059N 0.60 1.28 -0.68 0.22 2.02 -0.62 -2.49 112.91 113.24 1p3i h THR 1059Ca 0.15 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1p3i h THR 1059Cb 0.04 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1p3i h THR 1059CO -0.02 0.35 0.41 0.00 0.37 0.00 0.00 175.52 176.62 1p3i h ALA 1060N 0.80 0.87 -0.79 6.16 0.00 0.02 -1.32 119.26 125.00 1p3i h ALA 1060Ca 0.08 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1p3i h ALA 1060Cb 0.54 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1p3i h ALA 1060CO 0.03 0.35 0.52 1.49 0.00 0.00 0.00 179.25 181.63 1p3i h GLU 1061N 0.93 1.01 0.05 0.00 4.57 -0.81 -0.92 114.58 119.40 1p3i h GLU 1061Ca 0.24 -0.06 -0.25 0.00 -1.18 0.00 0.00 59.36 58.11 1p3i h GLU 1061Cb -0.02 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.35 1p3i h GLU 1061CO -0.05 0.67 -1.07 0.82 -1.18 0.00 0.00 179.01 178.20 1p3i h ILE 1062N 1.04 1.38 -0.32 2.32 2.04 -1.13 -2.83 117.51 120.00 1p3i h ILE 1062Ca 0.30 -2.54 -0.12 0.00 1.00 0.00 0.00 64.86 63.50 1p3i h ILE 1062Cb -0.07 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1p3i h ILE 1062CO -0.08 0.76 -0.29 -0.07 0.00 0.00 0.00 178.15 178.46 1p3i h LEU 1063N 0.23 0.70 0.74 1.44 3.38 -1.09 0.17 115.31 120.88 1p3i h LEU 1063Ca -0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1p3i h LEU 1063Cb 1.73 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1p3i h LEU 1063CO 0.19 0.95 -0.42 -0.08 0.09 0.00 0.00 178.44 179.18 1p3i h GLU 1064N 0.58 -1.04 -0.41 1.13 4.57 -1.19 0.30 114.58 118.52 1p3i h GLU 1064Ca 0.07 0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 1p3i h GLU 1064Cb 0.79 0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 1p3i h GLU 1064CO 0.07 -0.69 0.13 -0.07 -1.18 0.00 0.00 179.01 177.27 1p3i h LEU 1065N -1.08 0.54 -0.33 1.64 3.38 -1.41 -1.76 115.31 116.29 1p3i h LEU 1065Ca -0.10 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 1p3i h LEU 1065Cb 0.85 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1p3i h LEU 1065CO 0.13 0.51 -0.78 0.00 0.09 0.00 0.00 178.44 178.39 1p3i h ALA 1066N 1.57 0.52 -0.13 1.53 0.00 -0.39 -1.39 119.26 120.97 1p3i h ALA 1066Ca 0.14 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1p3i h ALA 1066Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1p3i h ALA 1066CO -0.01 0.77 0.03 0.78 0.00 0.00 0.00 179.25 180.82 1p3i h GLY 1067N 1.20 0.14 0.65 0.00 0.00 -0.08 0.11 103.07 105.09 1p3i h GLY 1067Ca -0.04 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.34 1p3i h GLY 1067CO 0.14 0.01 0.46 3.43 0.00 0.00 0.00 176.54 180.58 1p3i h ASN 1068N 0.09 0.70 -0.78 0.19 2.35 -1.18 0.14 115.58 117.08 1p3i h ASN 1068Ca 0.05 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1p3i h ASN 1068Cb 0.04 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1p3i h ASN 1068CO -0.07 0.44 0.51 0.00 -1.65 0.00 0.00 177.43 176.66 1p3i h ALA 1069N 1.40 1.52 -0.26 -0.83 0.00 -0.26 0.11 119.26 120.95 1p3i h ALA 1069Ca 0.36 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1p3i h ALA 1069Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1p3i h ALA 1069CO -0.20 0.41 -0.15 0.00 0.00 0.00 0.00 179.25 179.31 1p3i h ALA 1070N 1.54 0.36 -0.80 0.00 0.00 0.17 -2.87 119.26 117.67 1p3i h ALA 1070Ca 0.31 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1p3i h ALA 1070Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1p3i h ALA 1070CO -0.09 0.25 0.43 -0.09 0.00 0.00 0.00 179.25 179.76 1p3i h ARG 1071N 0.28 1.10 0.00 0.00 2.43 -0.25 -0.06 114.38 117.89 1p3i h ARG 1071Ca 0.05 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1p3i h ARG 1071Cb 0.67 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1p3i h ARG 1071CO 0.04 0.81 0.00 -0.25 -1.51 0.00 0.00 179.97 179.06 1p3i n ASP 1072N -4.35 0.37 -0.90 -3.80 8.00 0.34 -1.48 116.55 114.73 1p3i n ASP 1072Ca 0.08 0.61 0.07 0.00 0.71 0.00 0.00 54.79 56.27 1p3i n ASP 1072Cb 0.10 -0.68 0.23 0.00 -0.02 0.00 0.00 41.12 40.75 1p3i n ASP 1072CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1p3i n ASN 1073N -1.93 3.64 -3.61 -2.24 5.03 -0.14 -4.96 115.26 111.05 1p3i n ASN 1073Ca 0.02 -2.50 -0.21 0.00 0.87 0.00 0.00 54.58 52.76 1p3i n ASN 1073Cb 0.16 -0.42 0.06 0.00 -1.02 0.00 0.00 39.78 38.56 1p3i n ASN 1073CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1p3i n LYS 1074N 0.18 -5.93 -3.95 3.52 4.76 -0.55 -5.00 118.16 111.19 1p3i n LYS 1074Ca 0.18 0.73 -0.10 0.00 -2.87 0.00 0.00 58.31 56.25 1p3i n LYS 1074Cb 0.70 -5.54 -0.11 0.00 -1.84 0.00 0.00 35.03 28.24 1p3i n LYS 1074CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1p3i s LYS 1075N -5.83 0.28 -0.00 1.97 1.02 -0.57 -5.03 119.74 111.58 1p3i s LYS 1075Ca 0.12 -0.48 0.16 0.00 0.02 0.00 0.00 55.97 55.79 1p3i s LYS 1075Cb -0.06 0.10 -0.19 0.00 -0.52 0.00 0.00 37.83 37.16 1p3i s LYS 1075CO 0.77 -0.05 0.63 0.25 -0.92 0.00 0.00 175.35 176.03 1p3i n THR 1076N 1.83 0.00 -3.89 2.17 -2.24 -1.26 -3.48 114.28 107.41 1p3i n THR 1076Ca -0.22 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 1p3i n THR 1076Cb 0.56 0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 69.49 1p3i n THR 1076CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1p3i s ARG 1077N -2.66 3.61 0.08 -0.78 3.52 -1.26 -5.04 118.95 116.42 1p3i s ARG 1077Ca 0.04 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 54.82 1p3i s ARG 1077Cb 0.12 -3.19 -0.08 0.00 -1.56 0.00 0.00 34.95 30.24 1p3i s ARG 1077CO 0.67 -0.11 1.57 0.42 -0.81 0.00 0.00 175.30 177.04 1p3i s ILE 1078N 1.36 3.10 0.45 4.11 1.01 -1.26 -4.99 121.20 124.97 1p3i s ILE 1078Ca 0.05 0.62 0.04 0.00 0.00 0.00 0.00 60.65 61.36 1p3i s ILE 1078Cb -0.15 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1p3i s ILE 1078CO 0.02 0.01 0.01 0.27 0.00 0.00 0.00 174.94 175.25 1p3i s ILE 1079N 2.16 1.58 0.28 2.92 -4.36 -1.26 -5.02 121.20 117.50 1p3i s ILE 1079Ca 0.71 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.11 1p3i s ILE 1079Cb -0.39 -2.63 0.27 0.00 1.25 0.00 0.00 42.46 40.96 1p3i s ILE 1079CO 0.31 0.00 1.73 -0.65 0.24 0.00 0.00 174.94 176.57 1p3i h PRO 1080N 1.62 0.51 -0.98 0.37 0.11 -1.88 -0.64 132.00 131.10 1p3i h PRO 1080Ca -0.44 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.76 1p3i h PRO 1080Cb 1.27 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 1p3i h PRO 1080CO 0.77 0.33 0.62 -0.09 -0.21 0.00 0.00 178.00 179.42 1p3i h ARG 1081N 0.52 0.94 -0.16 1.05 9.65 -1.82 -0.34 114.38 124.23 1p3i h ARG 1081Ca 0.52 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 59.24 1p3i h ARG 1081Cb 0.87 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 1p3i h ARG 1081CO -0.44 0.62 -0.33 0.45 2.80 0.00 0.00 179.97 183.07 1p3i h HIS 1082N 0.97 0.36 -0.19 2.20 3.86 -1.46 -0.23 115.15 120.65 1p3i h HIS 1082Ca 0.47 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.50 1p3i h HIS 1082Cb 0.47 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1p3i h HIS 1082CO -0.00 0.61 -0.27 -0.07 0.86 0.00 0.00 177.93 179.06 1p3i h LEU 1083N 0.27 0.56 -0.09 2.43 3.38 -1.13 -1.30 115.31 119.44 1p3i h LEU 1083Ca 0.03 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1p3i h LEU 1083Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1p3i h LEU 1083CO 0.05 0.96 0.05 -0.61 0.09 0.00 0.00 178.44 178.99 1p3i h GLN 1084N 0.17 0.10 -0.85 1.13 5.75 -0.82 -1.48 115.11 119.11 1p3i h GLN 1084Ca 0.02 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1p3i h GLN 1084Cb 0.84 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.32 1p3i h GLN 1084CO 0.06 0.06 0.56 -0.07 -2.65 0.00 0.00 178.83 176.79 1p3i h LEU 1085N 0.10 0.88 -0.30 -2.39 3.38 -0.98 -0.99 115.31 115.01 1p3i h LEU 1085Ca 0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1p3i h LEU 1085Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1p3i h LEU 1085CO -0.02 0.58 0.02 0.00 0.09 0.00 0.00 178.44 179.11 1p3i h ALA 1086N 1.52 0.40 0.20 1.53 0.00 -0.81 -2.79 119.26 119.31 1p3i h ALA 1086Ca 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1p3i h ALA 1086Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1p3i h ALA 1086CO -0.12 0.13 -0.09 0.28 0.00 0.00 0.00 179.25 179.45 1p3i h VAL 1087N 0.32 0.86 0.00 0.00 2.07 -0.90 -3.05 116.25 115.55 1p3i h VAL 1087Ca 0.09 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1p3i h VAL 1087Cb 0.40 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1p3i h VAL 1087CO 0.01 0.19 -0.13 0.03 0.02 0.00 0.00 177.57 177.68 1p3i h ARG 1088N -0.76 0.00 -0.00 1.57 2.47 -1.30 -1.93 114.38 114.43 1p3i h ARG 1088Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1p3i h ARG 1088Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1p3i h ARG 1088CO 0.04 0.13 -0.17 0.09 0.56 0.00 0.00 179.97 180.63 1p3i n ASN 1089N -3.97 0.53 -4.41 7.04 3.02 -1.05 -4.75 115.26 111.68 1p3i n ASN 1089Ca -0.02 -0.50 -0.35 0.00 -0.03 0.00 0.00 54.58 53.67 1p3i n ASN 1089Cb 0.22 -0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.23 1p3i n ASN 1089CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p3i s ASP 1090N -2.58 4.72 0.13 6.41 2.15 -0.74 -5.02 116.67 121.73 1p3i s ASP 1090Ca 0.25 -0.26 -0.21 0.00 0.43 0.00 0.00 52.55 52.76 1p3i s ASP 1090Cb 0.20 -1.81 -0.03 0.00 -0.30 0.00 0.00 42.92 40.97 1p3i s ASP 1090CO 0.51 0.03 1.69 -0.08 -0.17 0.00 0.00 175.17 177.14 1p3i h GLU 1091N 7.78 -0.10 -0.10 4.34 4.81 -1.85 -1.24 114.58 128.22 1p3i h GLU 1091Ca -0.38 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1p3i h GLU 1091Cb 1.17 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1p3i h GLU 1091CO 0.60 -0.07 0.02 0.93 -0.73 0.00 0.00 179.01 179.76 1p3i h GLU 1092N -0.11 0.16 -0.66 1.92 5.08 -1.95 -2.14 114.58 116.88 1p3i h GLU 1092Ca 0.09 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1p3i h GLU 1092Cb 0.24 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1p3i h GLU 1092CO -0.21 0.36 0.15 -0.07 -1.00 0.00 0.00 179.01 178.24 1p3i h LEU 1093N -0.07 1.00 -0.89 1.33 3.38 -1.81 -1.10 115.31 117.16 1p3i h LEU 1093Ca 0.03 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1p3i h LEU 1093Cb 0.28 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1p3i h LEU 1093CO 0.00 0.97 0.58 -1.13 0.09 0.00 0.00 178.44 178.95 1p3i h ASN 1094N 1.00 0.98 0.16 -0.43 -1.24 -1.05 0.18 115.58 115.19 1p3i h ASN 1094Ca 0.21 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1p3i h ASN 1094Cb 0.36 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1p3i h ASN 1094CO 0.00 0.69 -0.08 0.50 -1.29 0.00 0.00 177.43 177.25 1p3i h LYS 1095N 1.15 -0.21 -0.88 6.67 3.64 -0.90 0.21 116.57 126.25 1p3i h LYS 1095Ca 0.35 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.86 1p3i h LYS 1095Cb -0.05 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 1p3i h LYS 1095CO -0.10 0.14 0.57 1.25 -2.27 0.00 0.00 179.45 179.04 1p3i h LEU 1096N -0.59 0.71 -3.64 5.20 5.85 -0.90 -1.20 115.31 120.74 1p3i h LEU 1096Ca -0.02 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.47 1p3i h LEU 1096Cb 0.45 -0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.21 1p3i h LEU 1096CO 0.04 0.39 0.24 0.18 -0.34 0.00 0.00 178.44 178.95 1p3i n LEU 1097N -4.55 5.42 0.21 2.25 4.77 0.61 -4.68 117.00 121.03 1p3i n LEU 1097Ca 0.16 -3.46 0.14 0.00 -0.03 0.00 0.00 56.01 52.82 1p3i n LEU 1097Cb 0.39 -0.71 0.77 0.00 -2.33 0.00 0.00 43.42 41.53 1p3i n LEU 1097CO 0.30 0.98 1.12 1.23 -1.33 0.00 0.00 177.39 179.70 1p3i h GLY 1098N 1.64 0.00 -2.11 -0.72 0.00 0.71 -2.27 103.07 100.32 1p3i h GLY 1098Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.45 1p3i h GLY 1098CO 0.67 0.00 -0.08 0.54 0.00 0.00 0.00 176.54 177.67 1p3i n ARG 1099N -4.14 1.85 -4.93 4.80 3.00 -1.26 -5.00 116.66 110.97 1p3i n ARG 1099Ca 0.00 -3.21 -0.31 0.00 -0.01 0.00 0.00 57.85 54.32 1p3i n ARG 1099Cb 0.24 -1.83 -0.14 0.00 0.00 0.00 0.00 32.46 30.73 1p3i n ARG 1099CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1p3i s VAL 1100N -3.28 2.50 -0.19 1.55 1.01 -0.86 -5.12 120.40 116.01 1p3i s VAL 1100Ca 0.45 -1.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1p3i s VAL 1100Cb 0.41 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1p3i s VAL 1100CO -0.00 0.46 -0.02 -0.89 0.00 0.00 0.00 175.10 174.64 1p3i s THR 1101N -0.78 3.78 -0.42 3.92 2.01 -1.26 -5.05 115.64 117.85 1p3i s THR 1101Ca 0.12 -0.37 -0.18 0.00 0.31 0.00 0.00 61.69 61.57 1p3i s THR 1101Cb -0.10 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.72 1p3i s THR 1101CO 0.02 0.44 0.50 -0.63 -0.69 0.00 0.00 174.62 174.26 1p3i s ILE 1102N 0.98 5.00 0.40 1.82 1.01 -1.26 -5.03 121.20 124.12 1p3i s ILE 1102Ca 0.01 -0.13 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 1p3i s ILE 1102Cb -0.14 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 1p3i s ILE 1102CO 0.01 -0.44 1.22 0.00 0.00 0.00 0.00 174.94 175.73 1p3i n ALA 1103N 5.81 1.05 -1.89 9.38 0.00 -1.26 -2.07 120.51 131.53 1p3i n ALA 1103Ca -0.05 0.28 -0.18 0.00 0.00 0.00 0.00 53.44 53.49 1p3i n ALA 1103Cb 0.48 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 1p3i n ALA 1103CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1p3i n GLN 1104N 0.18 -1.58 0.05 0.00 1.13 -1.26 -4.83 117.38 111.07 1p3i n GLN 1104Ca 0.07 1.00 0.11 0.00 -1.94 0.00 0.00 57.00 56.24 1p3i n GLN 1104Cb 0.39 -5.46 -0.02 0.00 0.11 0.00 0.00 30.24 25.25 1p3i n GLN 1104CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3i n GLY 1105N -0.59 -1.28 7.00 1.08 0.00 -0.88 -3.61 105.19 106.92 1p3i n GLY 1105Ca -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1p3i n GLY 1105CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3i n GLY 1106N 1.27 0.23 3.45 -0.02 0.00 -1.26 -4.62 105.19 104.23 1p3i n GLY 1106Ca -0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 1p3i n GLY 1106CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3i s VAL 1107N 0.00 1.41 0.29 1.61 -7.23 -1.26 -5.01 120.40 110.21 1p3i s VAL 1107Ca 0.00 -2.04 -0.28 0.00 -1.81 0.00 0.00 61.98 57.84 1p3i s VAL 1107Cb 0.00 -2.67 -0.09 0.00 0.56 0.00 0.00 36.38 34.18 1p3i s VAL 1107CO 0.00 -0.12 1.06 -0.76 -0.31 0.00 0.00 175.10 174.96 1p3i s LEU 1108N -3.48 4.49 0.15 1.32 1.43 -1.26 -4.96 118.68 116.37 1p3i s LEU 1108Ca 0.33 2.16 -0.33 0.00 -1.03 0.00 0.00 54.13 55.27 1p3i s LEU 1108Cb 0.07 -3.73 -0.12 0.00 0.03 0.00 0.00 46.19 42.43 1p3i s LEU 1108CO 0.14 -0.15 1.72 -2.65 0.23 0.00 0.00 176.35 175.65 1p3i n PRO 1109N 1.00 2.54 -3.40 1.29 -0.02 -1.26 -4.95 135.00 130.21 1p3i n PRO 1109Ca -0.00 0.92 0.01 0.00 -2.02 0.00 0.00 63.50 62.41 1p3i n PRO 1109Cb 0.46 -2.76 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 1p3i n PRO 1109CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1p3i s ASN 1110N 1.75 -0.55 -0.13 2.55 2.47 -1.26 -5.15 114.94 114.63 1p3i s ASN 1110Ca 0.80 0.75 0.01 0.00 0.42 0.00 0.00 52.86 54.83 1p3i s ASN 1110Cb -0.57 1.61 0.02 0.00 -1.45 0.00 0.00 41.25 40.86 1p3i s ASN 1110CO 0.37 -0.11 -0.13 -0.63 -3.72 0.00 0.00 177.10 172.89 1p3i s ILE 1111N 2.39 1.39 0.07 -5.21 1.01 -1.26 -5.10 121.20 114.49 1p3i s ILE 1111Ca -0.03 -0.54 -0.35 0.00 0.00 0.00 0.00 60.65 59.74 1p3i s ILE 1111Cb -0.06 -1.32 -0.14 0.00 0.01 0.00 0.00 42.46 40.96 1p3i s ILE 1111CO -0.17 0.43 1.61 0.00 0.00 0.00 0.00 174.94 176.81 1p3i n GLN 1112N 4.64 1.94 -0.34 2.79 1.13 -1.26 -4.83 117.38 121.45 1p3i n GLN 1112Ca -0.17 0.70 0.22 0.00 -1.94 0.00 0.00 57.00 55.82 1p3i n GLN 1112Cb 0.50 -2.46 0.47 0.00 0.11 0.00 0.00 30.24 28.86 1p3i n GLN 1112CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1p3i h SER 1113N 6.48 0.52 0.33 1.08 4.64 -1.99 -0.18 113.55 124.44 1p3i h SER 1113Ca -0.46 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1p3i h SER 1113Cb 1.27 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1p3i h SER 1113CO 0.89 0.06 0.00 0.55 -0.87 0.00 0.00 176.83 177.45 1p3i n VAL 1114N -4.76 1.07 1.17 0.95 3.14 -1.26 -1.41 118.33 117.22 1p3i n VAL 1114Ca 0.27 0.46 0.12 0.00 -2.96 0.00 0.00 64.34 62.24 1p3i n VAL 1114Cb 0.88 -1.41 0.23 0.00 -1.06 0.00 0.00 33.84 32.47 1p3i n VAL 1114CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1p3i n LEU 1115N -2.08 1.85 -4.79 6.55 4.77 -0.08 -4.93 117.00 118.29 1p3i n LEU 1115Ca 0.01 -0.62 -0.35 0.00 -0.03 0.00 0.00 56.01 55.02 1p3i n LEU 1115Cb 0.12 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1p3i n LEU 1115CO 0.13 0.33 0.72 -0.76 -1.33 0.00 0.00 177.39 176.48 1p3i s LEU 1116N -2.29 3.91 0.26 2.23 1.43 -0.50 -4.96 118.68 118.75 1p3i s LEU 1116Ca 0.26 1.96 -0.31 0.00 -1.03 0.00 0.00 54.13 55.01 1p3i s LEU 1116Cb 0.19 -4.47 -0.12 0.00 0.03 0.00 0.00 46.19 41.82 1p3i s LEU 1116CO 0.46 -0.73 1.64 -0.81 0.23 0.00 0.00 176.35 177.14 1p3i n PRO 1117N -0.77 2.71 -1.69 1.29 -0.04 -1.26 -4.85 135.00 130.39 1p3i n PRO 1117Ca 0.08 0.97 -0.40 0.00 -0.04 0.00 0.00 63.50 64.12 1p3i n PRO 1117Cb 0.52 -2.78 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 1p3i n PRO 1117CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1p3i s LYS 1118N 0.15 2.68 0.00 0.54 1.02 -1.26 -5.18 119.74 117.69 1p3i s LYS 1118Ca 0.69 1.54 0.01 0.00 0.02 0.00 0.00 55.97 58.22 1p3i s LYS 1118Cb -0.50 -4.44 0.05 0.00 -0.52 0.00 0.00 37.83 32.42 1p3i s LYS 1118CO 0.42 -2.62 0.55 1.63 -0.92 0.00 0.00 175.35 174.41