#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3f s ALA 1014N 0.00 3.06 -0.04 3.14 0.00 -1.26 -5.07 121.76 121.60 1p3f s ALA 1014Ca 0.00 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1p3f s ALA 1014Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1p3f s ALA 1014CO 0.00 0.12 -0.13 0.21 0.00 0.00 0.00 175.76 175.96 1p3f s LYS 1015N -3.24 2.50 0.32 0.00 2.47 -1.26 -5.11 119.74 115.44 1p3f s LYS 1015Ca 0.61 -0.70 -0.24 0.00 -1.56 0.00 0.00 55.97 54.08 1p3f s LYS 1015Cb -0.09 -2.40 -0.10 0.00 -1.46 0.00 0.00 37.83 33.78 1p3f s LYS 1015CO 0.15 0.62 0.90 0.95 0.16 0.00 0.00 175.35 178.13 1p3f s THR 1016N -0.79 4.32 0.41 3.43 -4.23 -1.26 -4.93 115.64 112.59 1p3f s THR 1016Ca 0.12 1.64 0.14 0.00 -1.18 0.00 0.00 61.69 62.42 1p3f s THR 1016Cb -0.11 -3.90 0.35 0.00 1.34 0.00 0.00 72.50 70.18 1p3f s THR 1016CO 0.02 0.06 1.90 0.03 -0.54 0.00 0.00 174.62 176.09 1p3f h ARG 1017N 2.96 0.46 -0.15 3.99 3.08 -1.98 0.46 114.38 123.21 1p3f h ARG 1017Ca -0.47 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.51 1p3f h ARG 1017Cb 1.19 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1p3f h ARG 1017CO 0.64 0.31 -0.09 0.77 -1.07 0.00 0.00 179.97 180.53 1p3f h SER 1018N 0.48 0.21 0.75 7.04 0.02 -1.86 0.29 113.55 120.47 1p3f h SER 1018Ca 0.39 -0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 61.09 1p3f h SER 1018Cb 0.84 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1p3f h SER 1018CO -0.14 0.33 -1.02 0.77 -1.14 0.00 0.00 176.83 175.63 1p3f h SER 1019N 0.22 0.20 0.04 3.07 4.64 -0.35 2.72 113.55 124.09 1p3f h SER 1019Ca 0.05 -0.19 -0.13 0.00 -0.47 0.00 0.00 61.79 61.04 1p3f h SER 1019Cb 0.30 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1p3f h SER 1019CO 0.02 1.09 -0.44 0.03 -0.87 0.00 0.00 176.83 176.66 1p3f h ARG 1020N 0.05 0.49 0.00 4.77 3.08 0.47 -1.34 114.38 121.90 1p3f h ARG 1020Ca -0.06 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1p3f h ARG 1020Cb 1.72 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.78 1p3f h ARG 1020CO 0.15 0.83 -0.17 0.00 -1.07 0.00 0.00 179.97 179.71 1p3f n ALA 1021N -2.50 2.72 -2.47 0.04 0.00 0.85 -4.93 120.51 114.22 1p3f n ALA 1021Ca -0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 1p3f n ALA 1021Cb 0.53 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.66 1p3f n ALA 1021CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3f n GLY 1022N 1.49 -0.26 3.15 0.00 0.00 -0.22 -5.04 105.19 104.30 1p3f n GLY 1022Ca 0.06 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 1p3f n GLY 1022CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3f s LEU 1023N -4.30 2.21 -0.02 0.99 1.43 0.90 -4.97 118.68 114.93 1p3f s LEU 1023Ca 0.25 -1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.21 1p3f s LEU 1023Cb -0.03 0.13 -0.28 0.00 0.03 0.00 0.00 46.19 46.03 1p3f s LEU 1023CO 0.41 -0.61 0.78 1.56 0.23 0.00 0.00 176.35 178.73 1p3f h GLN 1024N 2.94 0.27 -7.10 1.70 1.08 -1.97 -3.39 115.11 108.65 1p3f h GLN 1024Ca -0.35 -0.47 -0.53 0.00 -1.45 0.00 0.00 58.65 55.85 1p3f h GLN 1024Cb 1.17 0.17 0.12 0.00 -0.05 0.00 0.00 27.48 28.90 1p3f h GLN 1024CO 0.63 1.14 0.47 -0.06 -0.95 0.00 0.00 178.83 180.06 1p3f s PHE 1025N -2.60 2.34 -1.12 2.96 0.40 -1.26 -4.91 117.98 113.79 1p3f s PHE 1025Ca -0.11 1.51 -0.23 0.00 -0.60 0.00 0.00 56.93 57.50 1p3f s PHE 1025Cb 0.07 -3.50 -0.08 0.00 0.51 0.00 0.00 43.02 40.01 1p3f s PHE 1025CO 0.85 -2.31 1.94 -2.14 0.70 0.00 0.00 175.22 174.27 1p3f s PRO 1026N -3.37 2.47 0.27 0.24 0.02 -1.26 -4.73 135.00 128.65 1p3f s PRO 1026Ca 0.78 -0.96 0.01 0.00 0.02 0.00 0.00 61.00 60.84 1p3f s PRO 1026Cb -0.31 -5.20 0.57 0.00 0.02 0.00 0.00 34.50 29.59 1p3f s PRO 1026CO 0.34 -3.90 1.78 0.28 -0.33 0.00 0.00 177.00 175.17 1p3f h VAL 1027N 6.42 0.77 -0.27 3.83 2.07 -1.91 0.16 116.25 127.32 1p3f h VAL 1027Ca 0.19 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1p3f h VAL 1027Cb 0.95 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1p3f h VAL 1027CO 1.22 0.13 0.10 1.23 0.02 0.00 0.00 177.57 180.27 1p3f h GLY 1028N 0.73 0.44 0.61 2.17 0.00 -1.93 -2.50 103.07 102.60 1p3f h GLY 1028Ca 0.49 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.64 1p3f h GLY 1028CO -0.34 0.23 0.31 -0.09 0.00 0.00 0.00 176.54 176.64 1p3f h ARG 1029N 0.28 0.55 -0.53 4.80 2.43 -1.54 0.21 114.38 120.58 1p3f h ARG 1029Ca 0.09 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1p3f h ARG 1029Cb 0.20 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1p3f h ARG 1029CO -0.01 0.36 0.29 0.28 -1.51 0.00 0.00 179.97 179.39 1p3f h VAL 1030N 0.57 1.16 -0.32 0.20 2.07 -0.64 0.26 116.25 119.54 1p3f h VAL 1030Ca 0.28 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 1p3f h VAL 1030Cb 0.23 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1p3f h VAL 1030CO -0.21 0.18 -0.12 -0.74 0.02 0.00 0.00 177.57 176.70 1p3f h HIS 1031N 0.73 0.74 0.40 1.57 -0.00 -0.59 0.21 115.15 118.21 1p3f h HIS 1031Ca 0.19 -0.17 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1p3f h HIS 1031Cb 0.01 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.22 1p3f h HIS 1031CO 0.00 0.85 -0.38 -0.09 -0.00 0.00 0.00 177.93 178.31 1p3f h ARG 1032N 0.42 -0.77 -0.36 5.26 2.43 0.11 -1.60 114.38 119.87 1p3f h ARG 1032Ca 0.08 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 1p3f h ARG 1032Cb 0.63 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.31 1p3f h ARG 1032CO 0.04 -0.51 0.08 -0.07 -1.51 0.00 0.00 179.97 178.00 1p3f h LEU 1033N -0.80 0.03 -0.56 3.80 3.38 -0.44 -2.23 115.31 118.51 1p3f h LEU 1033Ca -0.03 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1p3f h LEU 1033Cb 0.71 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.42 1p3f h LEU 1033CO -0.06 0.06 -0.18 -0.07 0.09 0.00 0.00 178.44 178.28 1p3f h LEU 1034N 0.21 -0.65 0.21 1.67 3.38 0.38 0.10 115.31 120.62 1p3f h LEU 1034Ca 0.17 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.33 1p3f h LEU 1034Cb 0.19 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1p3f h LEU 1034CO -0.22 -0.22 -0.47 0.03 0.09 0.00 0.00 178.44 177.66 1p3f h ARG 1035N -0.04 -0.74 0.00 1.13 3.08 -0.84 -1.15 114.38 115.81 1p3f h ARG 1035Ca 0.26 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1p3f h ARG 1035Cb 0.45 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1p3f h ARG 1035CO -0.60 -0.49 0.09 1.63 -1.07 0.00 0.00 179.97 179.53 1p3f n LYS 1036N -5.50 0.06 -0.02 0.04 5.02 -0.88 -1.96 118.16 114.93 1p3f n LYS 1036Ca -0.09 0.51 0.11 0.00 -2.02 0.00 0.00 58.31 56.83 1p3f n LYS 1036Cb 0.41 -1.77 0.58 0.00 -0.02 0.00 0.00 35.03 34.22 1p3f n LYS 1036CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p3f n GLY 1037N -1.36 -0.65 3.89 0.72 0.00 0.31 -4.90 105.19 103.19 1p3f n GLY 1037Ca -0.01 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1p3f n GLY 1037CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p3f n ASN 1038N -0.51 -4.73 -0.04 1.61 5.03 -0.83 -4.85 115.26 110.94 1p3f n ASN 1038Ca 0.16 -1.15 -0.03 0.00 0.87 0.00 0.00 54.58 54.44 1p3f n ASN 1038Cb 0.15 -2.38 -0.06 0.00 -1.02 0.00 0.00 39.78 36.47 1p3f n ASN 1038CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1p3f n TYR 1039N -4.48 0.00 -3.65 3.10 4.02 -1.26 -5.05 117.16 109.83 1p3f n TYR 1039Ca -0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.68 1p3f n TYR 1039Cb 0.58 -0.37 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 1p3f n TYR 1039CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p3f s ALA 1040N -2.24 -1.39 0.22 -0.72 0.00 -1.26 -5.04 121.76 111.33 1p3f s ALA 1040Ca -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 1p3f s ALA 1040Cb 0.03 0.87 0.21 0.00 0.00 0.00 0.00 23.12 24.23 1p3f s ALA 1040CO 0.33 -0.91 1.57 0.93 0.00 0.00 0.00 175.76 177.69 1p3f h GLU 1041N 2.00 0.51 -4.65 0.00 4.39 -1.97 -3.46 114.58 111.40 1p3f h GLU 1041Ca -0.26 -0.28 -0.24 0.00 0.34 0.00 0.00 59.36 58.92 1p3f h GLU 1041Cb 1.28 0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.80 1p3f h GLU 1041CO 0.30 0.87 -0.67 1.03 -1.16 0.00 0.00 179.01 179.38 1p3f s ARG 1042N -4.12 0.96 -0.19 2.33 0.52 -1.26 -5.12 118.95 112.06 1p3f s ARG 1042Ca -0.07 -1.44 -0.04 0.00 -0.52 0.00 0.00 55.73 53.67 1p3f s ARG 1042Cb 0.12 -0.13 0.06 0.00 0.52 0.00 0.00 34.95 35.52 1p3f s ARG 1042CO 0.82 -0.12 0.07 0.08 0.02 0.00 0.00 175.30 176.17 1p3f s VAL 1043N -3.73 0.22 0.98 3.52 1.01 -1.26 -5.06 120.40 116.08 1p3f s VAL 1043Ca 0.19 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1p3f s VAL 1043Cb 0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1p3f s VAL 1043CO -0.00 -0.29 -0.10 0.61 0.00 0.00 0.00 175.10 175.32 1p3f n GLY 1044N 5.16 -3.04 0.14 4.51 0.00 -1.26 -4.87 105.19 105.82 1p3f n GLY 1044Ca -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.18 1p3f n GLY 1044CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3f h ALA 1045N -1.36 0.91 0.00 4.61 0.00 -2.04 -3.29 119.26 118.09 1p3f h ALA 1045Ca -0.44 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1p3f h ALA 1045Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1p3f h ALA 1045CO 0.30 0.77 -0.57 0.41 0.00 0.00 0.00 179.25 180.16 1p3f n GLY 1046N 0.39 -1.38 0.07 0.00 0.00 -1.26 -4.14 105.19 98.86 1p3f n GLY 1046Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1p3f n GLY 1046CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3f h ALA 1047N 2.64 -0.05 -0.82 4.61 0.00 -1.93 0.27 119.26 123.98 1p3f h ALA 1047Ca 0.00 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.91 1p3f h ALA 1047Cb 0.68 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 1p3f h ALA 1047CO 0.00 -0.33 0.30 -1.35 0.00 0.00 0.00 179.25 177.87 1p3f h PRO 1048N -0.43 0.35 0.29 0.00 0.11 -1.75 0.38 132.00 130.96 1p3f h PRO 1048Ca -0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1p3f h PRO 1048Cb 0.40 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1p3f h PRO 1048CO 0.01 0.23 -0.14 0.28 -0.21 0.00 0.00 178.00 178.17 1p3f h VAL 1049N 0.36 0.64 -0.17 3.15 2.07 -1.70 -1.96 116.25 118.64 1p3f h VAL 1049Ca 0.49 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1p3f h VAL 1049Cb 0.87 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1p3f h VAL 1049CO -0.51 0.13 -0.19 0.22 0.02 0.00 0.00 177.57 177.25 1p3f h TYR 1050N -0.86 -0.48 -0.52 1.57 3.20 0.57 -1.18 116.97 119.27 1p3f h TYR 1050Ca -0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1p3f h TYR 1050Cb 0.52 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1p3f h TYR 1050CO 0.04 -0.26 0.28 1.25 -1.64 0.00 0.00 178.16 177.83 1p3f h LEU 1051N -0.22 0.63 -0.62 2.82 5.85 -0.35 0.18 115.31 123.61 1p3f h LEU 1051Ca 0.11 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1p3f h LEU 1051Cb 0.38 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1p3f h LEU 1051CO -0.30 0.52 -0.11 0.00 -0.34 0.00 0.00 178.44 178.21 1p3f h ALA 1052N 1.59 0.82 -0.63 1.25 0.00 -0.62 -1.45 119.26 120.21 1p3f h ALA 1052Ca 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1p3f h ALA 1052Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1p3f h ALA 1052CO -0.03 0.66 0.30 0.00 0.00 0.00 0.00 179.25 180.17 1p3f h ALA 1053N 1.00 0.82 -0.31 0.00 0.00 0.14 -0.48 119.26 120.42 1p3f h ALA 1053Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1p3f h ALA 1053Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1p3f h ALA 1053CO 0.05 0.39 0.03 0.28 0.00 0.00 0.00 179.25 180.00 1p3f h VAL 1054N 0.87 1.24 -0.11 0.00 2.07 -0.31 -1.29 116.25 118.72 1p3f h VAL 1054Ca 0.22 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1p3f h VAL 1054Cb 0.13 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1p3f h VAL 1054CO -0.03 0.28 -0.15 -0.07 0.02 0.00 0.00 177.57 177.62 1p3f h LEU 1055N 0.35 -0.47 -0.14 2.57 3.38 -1.09 -2.20 115.31 117.70 1p3f h LEU 1055Ca 0.09 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1p3f h LEU 1055Cb 0.38 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1p3f h LEU 1055CO 0.01 -0.20 -0.01 -0.08 0.09 0.00 0.00 178.44 178.25 1p3f h GLU 1056N -0.20 0.03 -0.95 1.13 4.81 -0.95 -1.10 114.58 117.34 1p3f h GLU 1056Ca 0.09 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.43 1p3f h GLU 1056Cb 0.33 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.62 1p3f h GLU 1056CO -0.23 0.02 0.61 -0.92 -0.73 0.00 0.00 179.01 177.76 1p3f h TYR 1057N 0.03 1.03 0.00 0.92 3.20 -0.90 0.26 116.97 121.51 1p3f h TYR 1057Ca 0.07 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1p3f h TYR 1057Cb 0.09 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1p3f h TYR 1057CO -0.16 0.43 -0.45 -0.07 -1.64 0.00 0.00 178.16 176.27 1p3f h LEU 1058N 0.91 0.00 -0.24 2.82 3.38 -0.85 -1.22 115.31 120.11 1p3f h LEU 1058Ca 0.46 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.35 1p3f h LEU 1058Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1p3f h LEU 1058CO -0.23 0.45 -0.17 0.74 0.09 0.00 0.00 178.44 179.32 1p3f h THR 1059N 0.00 1.31 -0.63 0.22 2.02 0.62 -1.83 112.91 114.62 1p3f h THR 1059Ca -0.00 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 65.81 1p3f h THR 1059Cb 1.02 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1p3f h THR 1059CO 0.06 0.40 0.10 0.00 0.37 0.00 0.00 175.52 176.45 1p3f h ALA 1060N 0.70 0.99 -0.78 6.16 0.00 -0.32 -1.66 119.26 124.35 1p3f h ALA 1060Ca 0.05 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1p3f h ALA 1060Cb 0.70 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1p3f h ALA 1060CO 0.05 0.64 0.51 1.49 0.00 0.00 0.00 179.25 181.94 1p3f h GLU 1061N 0.96 1.00 -0.01 0.00 4.57 -0.87 -1.02 114.58 119.22 1p3f h GLU 1061Ca 0.19 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.15 1p3f h GLU 1061Cb 0.42 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1p3f h GLU 1061CO 0.01 0.66 -0.65 0.82 -1.18 0.00 0.00 179.01 178.67 1p3f h ILE 1062N 1.03 1.41 -0.96 2.32 2.04 -1.01 -2.76 117.51 119.58 1p3f h ILE 1062Ca 0.30 -2.09 0.01 0.00 1.00 0.00 0.00 64.86 64.08 1p3f h ILE 1062Cb -0.08 2.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 1p3f h ILE 1062CO -0.08 0.61 0.63 -0.07 0.00 0.00 0.00 178.15 179.25 1p3f h LEU 1063N -0.03 1.09 0.13 1.44 3.38 -1.14 0.30 115.31 120.47 1p3f h LEU 1063Ca -0.08 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1p3f h LEU 1063Cb 1.35 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1p3f h LEU 1063CO 0.13 0.79 -0.26 -0.08 0.09 0.00 0.00 178.44 179.10 1p3f h GLU 1064N 1.29 -0.46 -0.63 1.13 4.57 -1.23 1.05 114.58 120.29 1p3f h GLU 1064Ca 0.35 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.55 1p3f h GLU 1064Cb -0.13 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 1p3f h GLU 1064CO -0.08 -0.31 0.34 -0.07 -1.18 0.00 0.00 179.01 177.71 1p3f h LEU 1065N -0.48 0.78 -0.65 1.64 3.38 -1.12 -0.80 115.31 118.06 1p3f h LEU 1065Ca 0.03 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1p3f h LEU 1065Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1p3f h LEU 1065CO -0.14 0.63 -0.62 0.00 0.09 0.00 0.00 178.44 178.40 1p3f h ALA 1066N 1.50 0.86 0.52 1.53 0.00 0.07 -2.14 119.26 121.59 1p3f h ALA 1066Ca 0.22 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1p3f h ALA 1066Cb 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1p3f h ALA 1066CO -0.04 0.75 -0.25 0.78 0.00 0.00 0.00 179.25 180.49 1p3f h GLY 1067N 1.56 -0.73 -0.34 0.00 0.00 0.19 -2.41 103.07 101.33 1p3f h GLY 1067Ca -0.01 0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.68 1p3f h GLY 1067CO 0.09 -0.27 -0.38 3.43 0.00 0.00 0.00 176.54 179.42 1p3f h ASN 1068N -0.94 -1.29 -0.67 0.19 2.35 -1.06 0.29 115.58 114.44 1p3f h ASN 1068Ca -0.07 0.22 0.13 0.00 -0.55 0.00 0.00 56.30 56.02 1p3f h ASN 1068Cb 0.62 0.60 -0.12 0.00 0.05 0.00 0.00 38.32 39.46 1p3f h ASN 1068CO 0.12 -0.33 -0.20 0.00 -1.65 0.00 0.00 177.43 175.37 1p3f n ALA 1069N -3.09 0.09 0.03 -0.83 0.00 -0.81 0.15 120.51 116.04 1p3f n ALA 1069Ca 0.02 0.72 -0.03 0.00 0.00 0.00 0.00 53.44 54.14 1p3f n ALA 1069Cb 0.35 -0.40 0.21 0.00 0.00 0.00 0.00 19.45 19.60 1p3f n ALA 1069CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p3f h ALA 1070N 1.23 1.11 0.81 0.00 0.00 0.06 -2.50 119.26 119.96 1p3f h ALA 1070Ca 0.30 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1p3f h ALA 1070Cb 0.47 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1p3f h ALA 1070CO -0.69 0.56 -0.39 -0.09 0.00 0.00 0.00 179.25 178.64 1p3f h ARG 1071N 0.39 -1.04 0.00 0.00 2.43 0.20 0.57 114.38 116.92 1p3f h ARG 1071Ca 0.05 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1p3f h ARG 1071Cb 0.68 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1p3f h ARG 1071CO 0.05 -0.70 0.38 -0.25 -1.51 0.00 0.00 179.97 177.95 1p3f n ASP 1072N -5.19 0.02 -0.56 -3.80 8.00 -0.02 0.32 116.55 115.32 1p3f n ASP 1072Ca -0.13 0.18 0.07 0.00 0.71 0.00 0.00 54.79 55.61 1p3f n ASP 1072Cb 0.43 -0.16 0.07 0.00 -0.02 0.00 0.00 41.12 41.44 1p3f n ASP 1072CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1p3f n ASN 1073N -1.25 2.20 -2.93 -2.24 5.03 -0.32 -4.93 115.26 110.81 1p3f n ASN 1073Ca -0.00 -1.60 -0.20 0.00 0.87 0.00 0.00 54.58 53.65 1p3f n ASN 1073Cb 0.38 -0.02 0.05 0.00 -1.02 0.00 0.00 39.78 39.18 1p3f n ASN 1073CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1p3f n LYS 1074N 0.77 -5.58 -4.36 3.52 4.76 0.96 -4.99 118.16 113.24 1p3f n LYS 1074Ca 0.08 0.77 -0.20 0.00 -2.87 0.00 0.00 58.31 56.09 1p3f n LYS 1074Cb 0.35 -5.47 -0.10 0.00 -1.84 0.00 0.00 35.03 27.97 1p3f n LYS 1074CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1p3f s LYS 1075N -5.83 1.37 0.00 1.97 1.02 0.18 -5.01 119.74 113.44 1p3f s LYS 1075Ca 0.38 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.81 1p3f s LYS 1075Cb -0.17 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 1p3f s LYS 1075CO 0.47 0.24 0.15 0.25 -0.92 0.00 0.00 175.35 175.54 1p3f n THR 1076N -0.22 0.00 -4.53 2.17 -2.24 -1.26 -3.67 114.28 104.54 1p3f n THR 1076Ca -0.09 -0.49 -0.33 0.00 -2.27 0.00 0.00 64.05 60.87 1p3f n THR 1076Cb 0.59 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.71 1p3f n THR 1076CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1p3f s ARG 1077N -0.67 3.48 -0.01 -0.78 3.52 -1.26 -5.08 118.95 118.15 1p3f s ARG 1077Ca 0.00 -0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 1p3f s ARG 1077Cb 0.00 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.56 1p3f s ARG 1077CO 0.00 0.29 1.01 0.42 -0.81 0.00 0.00 175.30 176.21 1p3f s ILE 1078N 0.20 4.78 0.43 4.11 1.01 -1.26 -4.97 121.20 125.50 1p3f s ILE 1078Ca -0.04 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.61 1p3f s ILE 1078Cb -0.14 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1p3f s ILE 1078CO 0.03 0.13 0.03 2.30 0.00 0.00 0.00 174.94 177.44 1p3f n ILE 1079N 4.00 0.00 -0.37 2.92 -5.35 -1.26 -5.01 119.36 114.29 1p3f n ILE 1079Ca 0.07 -2.02 0.02 0.00 -0.27 0.00 0.00 62.75 60.55 1p3f n ILE 1079Cb 0.50 0.36 0.17 0.00 -1.74 0.00 0.00 39.64 38.93 1p3f n ILE 1079CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1p3f h PRO 1080N 0.00 1.15 -1.01 6.28 0.11 -1.88 -1.89 132.00 134.76 1p3f h PRO 1080Ca -0.35 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 65.75 1p3f h PRO 1080Cb 1.08 -0.26 -0.06 0.00 0.11 0.00 0.00 31.00 31.87 1p3f h PRO 1080CO 0.58 0.76 0.65 -0.09 -0.21 0.00 0.00 178.00 179.70 1p3f h ARG 1081N 1.19 1.17 -0.92 1.05 9.65 -1.82 0.20 114.38 124.90 1p3f h ARG 1081Ca 0.42 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.25 1p3f h ARG 1081Cb 0.13 -0.26 -0.05 0.00 -1.39 0.00 0.00 29.97 28.40 1p3f h ARG 1081CO -0.16 0.77 0.61 0.45 2.80 0.00 0.00 179.97 184.44 1p3f h HIS 1082N 1.21 1.15 -0.15 2.20 3.86 -1.69 0.80 115.15 122.53 1p3f h HIS 1082Ca 0.42 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.50 1p3f h HIS 1082Cb 0.12 -0.39 0.01 0.00 1.06 0.00 0.00 27.41 28.21 1p3f h HIS 1082CO -0.00 0.71 -0.56 -0.07 0.86 0.00 0.00 177.93 178.87 1p3f h LEU 1083N 1.23 0.75 -0.81 2.43 3.38 -0.85 -1.92 115.31 119.51 1p3f h LEU 1083Ca 0.34 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1p3f h LEU 1083Cb -0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1p3f h LEU 1083CO -0.08 1.23 0.39 -0.61 0.09 0.00 0.00 178.44 179.46 1p3f h GLN 1084N 0.31 1.17 -0.01 1.13 5.75 -0.40 -1.49 115.11 121.57 1p3f h GLN 1084Ca -0.03 -0.18 -0.17 0.00 -0.15 0.00 0.00 58.65 58.13 1p3f h GLN 1084Cb 1.19 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 1p3f h GLN 1084CO 0.12 0.91 -0.76 -0.07 -2.65 0.00 0.00 178.83 176.38 1p3f h LEU 1085N 1.16 0.12 -0.87 -2.39 3.38 -0.89 -2.47 115.31 113.34 1p3f h LEU 1085Ca 0.28 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1p3f h LEU 1085Cb 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1p3f h LEU 1085CO -0.03 0.83 0.26 0.00 0.09 0.00 0.00 178.44 179.58 1p3f h ALA 1086N 1.17 1.10 0.16 1.53 0.00 -1.02 -3.07 119.26 119.13 1p3f h ALA 1086Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1p3f h ALA 1086Cb 1.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p3f h ALA 1086CO 0.11 0.63 -0.08 0.28 0.00 0.00 0.00 179.25 180.19 1p3f h VAL 1087N 1.06 0.00 0.00 0.00 2.07 -1.13 -3.31 116.25 114.94 1p3f h VAL 1087Ca 0.24 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1p3f h VAL 1087Cb 0.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1p3f h VAL 1087CO -0.02 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.11 1p3f n ARG 1088N -4.54 0.09 -0.55 1.57 5.12 -0.94 -0.46 116.66 116.94 1p3f n ARG 1088Ca -0.03 0.24 0.10 0.00 -1.93 0.00 0.00 57.85 56.24 1p3f n ARG 1088Cb 0.08 -1.50 0.35 0.00 -1.16 0.00 0.00 32.46 30.24 1p3f n ARG 1088CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1p3f n ASN 1089N -1.37 4.54 -3.97 0.55 3.02 -1.16 -4.81 115.26 112.07 1p3f n ASN 1089Ca 0.04 -2.32 -0.30 0.00 -0.03 0.00 0.00 54.58 51.96 1p3f n ASN 1089Cb 0.09 -0.56 -0.16 0.00 -0.61 0.00 0.00 39.78 38.55 1p3f n ASN 1089CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p3f s ASP 1090N -0.92 3.40 0.21 6.41 2.15 0.39 -5.04 116.67 123.27 1p3f s ASP 1090Ca 0.51 -0.91 -0.20 0.00 0.43 0.00 0.00 52.55 52.38 1p3f s ASP 1090Cb 0.31 -1.18 0.16 0.00 -0.30 0.00 0.00 42.92 41.91 1p3f s ASP 1090CO 0.27 -0.17 1.56 -0.08 -0.17 0.00 0.00 175.17 176.59 1p3f h GLU 1091N 7.99 -0.06 -0.00 4.34 4.81 -1.87 -1.42 114.58 128.37 1p3f h GLU 1091Ca -0.26 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1p3f h GLU 1091Cb 1.09 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1p3f h GLU 1091CO 0.45 -0.04 0.00 0.93 -0.73 0.00 0.00 179.01 179.62 1p3f h GLU 1092N -0.06 0.01 -0.69 1.92 5.08 -1.96 0.49 114.58 119.36 1p3f h GLU 1092Ca 0.29 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1p3f h GLU 1092Cb 0.57 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1p3f h GLU 1092CO -0.88 0.26 0.35 -0.07 -1.00 0.00 0.00 179.01 177.67 1p3f h LEU 1093N -0.25 0.89 -0.92 1.33 3.38 -1.75 -0.95 115.31 117.03 1p3f h LEU 1093Ca 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1p3f h LEU 1093Cb 0.26 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1p3f h LEU 1093CO 0.00 0.76 0.43 -1.13 0.09 0.00 0.00 178.44 178.58 1p3f h ASN 1094N 0.96 1.08 0.33 -0.43 -1.24 -1.20 0.47 115.58 115.55 1p3f h ASN 1094Ca 0.24 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.12 1p3f h ASN 1094Cb 0.09 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.87 1p3f h ASN 1094CO -0.03 0.89 -0.16 0.50 -1.29 0.00 0.00 177.43 177.34 1p3f h LYS 1095N 1.19 -0.43 -1.07 6.67 3.64 -0.26 -0.46 116.57 125.85 1p3f h LYS 1095Ca 0.29 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.99 1p3f h LYS 1095Cb 0.08 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1p3f h LYS 1095CO -0.04 -0.13 0.72 1.25 -2.27 0.00 0.00 179.45 178.98 1p3f h LEU 1096N -0.74 0.25 -3.33 5.20 5.85 -0.31 0.60 115.31 122.84 1p3f h LEU 1096Ca -0.05 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1p3f h LEU 1096Cb 0.50 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1p3f h LEU 1096CO 0.07 0.05 0.01 0.18 -0.34 0.00 0.00 178.44 178.42 1p3f n LEU 1097N -4.44 4.14 0.04 2.25 4.77 0.16 -4.73 117.00 119.19 1p3f n LEU 1097Ca 0.24 -3.23 0.04 0.00 -0.03 0.00 0.00 56.01 53.03 1p3f n LEU 1097Cb 1.00 -0.59 0.18 0.00 -2.33 0.00 0.00 43.42 41.69 1p3f n LEU 1097CO 0.32 0.83 0.61 0.61 -1.33 0.00 0.00 177.39 178.43 1p3f n GLY 1098N -0.65 -0.66 0.64 -0.72 0.00 0.20 -1.08 105.19 102.92 1p3f n GLY 1098Ca 0.26 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.39 1p3f n GLY 1098CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3f n ARG 1099N -1.70 1.39 -4.80 1.61 1.74 -1.26 -5.03 116.66 108.61 1p3f n ARG 1099Ca 0.00 -3.09 -0.30 0.00 -0.77 0.00 0.00 57.85 53.69 1p3f n ARG 1099Cb 0.03 -1.44 -0.14 0.00 -1.02 0.00 0.00 32.46 29.89 1p3f n ARG 1099CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p3f s VAL 1100N -2.86 2.41 -0.13 1.55 1.01 -0.24 -5.12 120.40 117.03 1p3f s VAL 1100Ca 0.37 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1p3f s VAL 1100Cb 0.36 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1p3f s VAL 1100CO -0.07 0.35 -0.15 -0.89 0.00 0.00 0.00 175.10 174.34 1p3f s THR 1101N -0.86 1.55 -0.29 3.92 2.01 -1.26 -5.04 115.64 115.67 1p3f s THR 1101Ca 0.13 -0.65 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 1p3f s THR 1101Cb -0.10 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1p3f s THR 1101CO 0.03 0.45 0.68 -0.63 -0.69 0.00 0.00 174.62 174.47 1p3f s ILE 1102N 1.17 4.90 0.77 1.82 1.01 -1.26 -5.05 121.20 124.56 1p3f s ILE 1102Ca -0.02 1.03 -0.13 0.00 0.00 0.00 0.00 60.65 61.52 1p3f s ILE 1102Cb -0.14 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.35 1p3f s ILE 1102CO -0.05 -0.14 1.17 0.00 0.00 0.00 0.00 174.94 175.91 1p3f s ALA 1103N 2.70 2.03 -0.86 9.38 0.00 -1.26 -2.92 121.76 130.83 1p3f s ALA 1103Ca 0.28 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1p3f s ALA 1103Cb -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1p3f s ALA 1103CO 0.11 -1.99 0.00 1.04 0.00 0.00 0.00 175.76 174.93 1p3f n GLN 1104N -3.12 -2.03 0.03 0.00 1.13 -1.26 -4.83 117.38 107.29 1p3f n GLN 1104Ca 0.12 0.49 0.11 0.00 -1.94 0.00 0.00 57.00 55.78 1p3f n GLN 1104Cb 0.51 -4.94 -0.02 0.00 0.11 0.00 0.00 30.24 25.91 1p3f n GLN 1104CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3f n GLY 1105N -0.56 -1.19 7.00 1.08 0.00 -1.15 -3.59 105.19 106.78 1p3f n GLY 1105Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1p3f n GLY 1105CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3f n GLY 1106N 1.34 0.46 3.15 -0.02 0.00 -1.26 -4.63 105.19 104.23 1p3f n GLY 1106Ca 0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 1p3f n GLY 1106CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3f s VAL 1107N 0.00 0.15 0.55 1.61 -7.23 -1.26 -5.05 120.40 109.17 1p3f s VAL 1107Ca 0.00 -1.24 -0.20 0.00 -1.81 0.00 0.00 61.98 58.73 1p3f s VAL 1107Cb 0.00 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 1p3f s VAL 1107CO 0.00 -0.68 1.21 -0.76 -0.31 0.00 0.00 175.10 174.56 1p3f s LEU 1108N -2.54 3.77 -0.07 1.32 1.43 -1.26 -4.90 118.68 116.43 1p3f s LEU 1108Ca 0.01 2.40 -0.30 0.00 -1.03 0.00 0.00 54.13 55.21 1p3f s LEU 1108Cb 0.03 -4.48 -0.08 0.00 0.03 0.00 0.00 46.19 41.68 1p3f s LEU 1108CO -0.08 -1.41 2.05 -2.65 0.23 0.00 0.00 176.35 174.49 1p3f n PRO 1109N -1.26 2.46 -3.60 1.29 -0.02 -1.26 -4.95 135.00 127.66 1p3f n PRO 1109Ca 0.12 0.84 -0.03 0.00 -2.02 0.00 0.00 63.50 62.41 1p3f n PRO 1109Cb 0.49 -3.03 -0.06 0.00 -0.02 0.00 0.00 33.50 30.89 1p3f n PRO 1109CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1p3f s ASN 1110N 5.73 -0.84 -0.14 2.55 2.47 -1.26 -5.14 114.94 118.31 1p3f s ASN 1110Ca 0.94 1.25 -0.01 0.00 0.42 0.00 0.00 52.86 55.46 1p3f s ASN 1110Cb -0.45 1.64 0.04 0.00 -1.45 0.00 0.00 41.25 41.04 1p3f s ASN 1110CO 0.41 -0.19 -0.04 -0.63 -3.72 0.00 0.00 177.10 172.94 1p3f s ILE 1111N 2.05 0.89 -0.10 -5.21 1.01 -1.26 -5.10 121.20 113.49 1p3f s ILE 1111Ca -0.07 -0.40 -0.35 0.00 0.00 0.00 0.00 60.65 59.82 1p3f s ILE 1111Cb -0.07 -1.06 -0.13 0.00 0.01 0.00 0.00 42.46 41.21 1p3f s ILE 1111CO -0.18 0.18 1.82 0.00 0.00 0.00 0.00 174.94 176.76 1p3f n GLN 1112N 4.96 1.97 -0.23 2.79 1.13 -1.26 -4.80 117.38 121.94 1p3f n GLN 1112Ca -0.11 0.72 -0.03 0.00 -1.94 0.00 0.00 57.00 55.64 1p3f n GLN 1112Cb 0.49 -2.53 0.03 0.00 0.11 0.00 0.00 30.24 28.34 1p3f n GLN 1112CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1p3f h SER 1113N 8.50 -1.04 -0.40 1.08 4.64 -1.99 0.54 113.55 124.87 1p3f h SER 1113Ca -0.48 0.23 0.12 0.00 -0.47 0.00 0.00 61.79 61.19 1p3f h SER 1113Cb 1.28 0.56 -0.02 0.00 -0.31 0.00 0.00 62.40 63.91 1p3f h SER 1113CO 0.94 -0.29 0.76 1.62 -0.87 0.00 0.00 176.83 179.00 1p3f h VAL 1114N -0.10 0.10 -0.00 0.95 3.04 -2.02 0.62 116.25 118.83 1p3f h VAL 1114Ca 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 1p3f h VAL 1114Cb 0.55 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 1p3f h VAL 1114CO -0.73 0.00 -0.05 0.18 -1.01 0.00 0.00 177.57 175.96 1p3f n LEU 1115N -3.13 0.34 -4.82 3.16 4.77 0.19 -4.90 117.00 112.61 1p3f n LEU 1115Ca 0.08 0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1p3f n LEU 1115Cb 0.90 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 1p3f n LEU 1115CO 0.17 0.06 0.67 -0.76 -1.33 0.00 0.00 177.39 176.20 1p3f s LEU 1116N -2.34 3.86 0.34 2.23 1.43 0.22 -5.02 118.68 119.40 1p3f s LEU 1116Ca 0.34 1.72 -0.28 0.00 -1.03 0.00 0.00 54.13 54.88 1p3f s LEU 1116Cb 0.21 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.77 1p3f s LEU 1116CO 0.43 -0.50 1.37 -2.65 0.23 0.00 0.00 176.35 175.23 1p3f n PRO 1117N -0.89 2.31 -2.39 1.29 -0.02 -1.26 -4.89 135.00 129.14 1p3f n PRO 1117Ca 0.07 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 1p3f n PRO 1117Cb 0.54 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1p3f n PRO 1117CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1p3f s LYS 1118N -1.73 3.81 0.00 -0.52 1.02 -1.26 -5.16 119.74 115.90 1p3f s LYS 1118Ca 0.56 1.16 0.02 0.00 0.02 0.00 0.00 55.97 57.73 1p3f s LYS 1118Cb -0.54 -3.93 0.10 0.00 -0.52 0.00 0.00 37.83 32.94 1p3f s LYS 1118CO 0.61 -1.26 0.59 1.63 -0.92 0.00 0.00 175.35 176.00