#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr8 h LYS 1022N 0.00 0.77 -0.34 -1.46 1.57 -1.99 -1.93 116.57 113.20 2gr8 h LYS 1022Ca 0.00 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 2gr8 h LYS 1022Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2gr8 h LYS 1022CO 0.00 0.71 -0.00 0.00 -0.57 0.00 0.00 179.45 179.59 2gr8 h ARG 1023N 0.75 0.59 -0.47 3.15 -0.00 -2.01 -1.62 114.38 114.77 2gr8 h ARG 1023Ca 0.16 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.98 59.41 2gr8 h ARG 1023Cb 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.19 2gr8 h ARG 1023CO -0.00 0.72 0.13 0.00 0.00 0.00 0.00 179.97 180.82 2gr8 h ALA 1024N 0.85 0.62 -0.25 0.04 0.00 -1.97 -2.45 119.26 116.10 2gr8 h ALA 1024Ca 0.10 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2gr8 h ALA 1024Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2gr8 h ALA 1024CO 0.02 0.29 -0.21 -0.44 0.00 0.00 0.00 179.25 178.92 2gr8 h ASP 1025N 0.63 0.44 -0.46 0.00 3.32 -1.34 -2.33 116.42 116.69 2gr8 h ASP 1025Ca 0.15 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 2gr8 h ASP 1025Cb 0.30 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2gr8 h ASP 1025CO -0.00 0.66 -0.10 0.00 -1.72 0.00 0.00 179.24 178.08 2gr8 h ALA 1026N 1.38 0.87 -0.42 3.45 0.00 -1.16 -1.10 119.26 122.28 2gr8 h ALA 1026Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2gr8 h ALA 1026Cb 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2gr8 h ALA 1026CO 0.04 0.65 0.21 0.78 0.00 0.00 0.00 179.25 180.92 2gr8 h GLY 1027N 0.96 0.64 0.87 0.00 0.00 -1.22 -1.37 103.07 102.95 2gr8 h GLY 1027Ca 0.13 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.18 2gr8 h GLY 1027CO 0.04 0.30 0.45 -0.84 0.00 0.00 0.00 176.54 176.49 2gr8 h THR 1028N 0.54 1.10 -0.70 4.70 2.02 -1.27 -2.19 112.91 117.10 2gr8 h THR 1028Ca 0.14 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.05 2gr8 h THR 1028Cb 0.10 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 2gr8 h THR 1028CO -0.02 0.16 0.45 0.00 0.37 0.00 0.00 175.52 176.48 2gr8 h ALA 1029N 1.31 0.91 -0.42 6.16 0.00 -0.92 0.10 119.26 126.40 2gr8 h ALA 1029Ca 0.29 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2gr8 h ALA 1029Cb 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2gr8 h ALA 1029CO -0.11 0.25 0.21 0.77 0.00 0.00 0.00 179.25 180.37 2gr8 h SER 1030N 0.89 0.31 0.02 0.00 0.02 -0.85 -1.14 113.55 112.80 2gr8 h SER 1030Ca 0.27 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.10 2gr8 h SER 1030Cb -0.02 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2gr8 h SER 1030CO -0.09 0.23 -0.46 0.00 -1.14 0.00 0.00 176.83 175.36 2gr8 h ALA 1031N 1.22 0.81 -0.58 3.77 0.00 -1.01 -1.62 119.26 121.85 2gr8 h ALA 1031Ca 0.18 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2gr8 h ALA 1031Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2gr8 h ALA 1031CO -0.12 0.66 0.26 -0.07 0.00 0.00 0.00 179.25 179.98 2gr8 h LEU 1032N 0.42 0.78 -0.07 0.00 3.38 -0.57 -1.08 115.31 118.17 2gr8 h LEU 1032Ca 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2gr8 h LEU 1032Cb 0.98 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2gr8 h LEU 1032CO 0.09 0.71 0.03 0.00 0.09 0.00 0.00 178.44 179.35 2gr8 h ALA 1033N 1.10 0.10 -0.44 1.53 0.00 -1.09 -2.95 119.26 117.51 2gr8 h ALA 1033Ca 0.20 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2gr8 h ALA 1033Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2gr8 h ALA 1033CO -0.02 -0.32 0.30 0.00 0.00 0.00 0.00 179.25 179.20 2gr8 h ALA 1034N 0.87 1.92 0.00 0.00 0.00 -1.18 -1.68 119.26 119.19 2gr8 h ALA 1034Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gr8 h ALA 1034Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2gr8 h ALA 1034CO -0.00 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.91 2gr8 h SER 1035N 0.39 0.00 -0.22 0.00 4.64 -1.01 -2.98 113.55 114.36 2gr8 h SER 1035Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2gr8 h SER 1035Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2gr8 h SER 1035CO -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 2gr8 n GLN 1036N -2.43 1.90 -1.90 4.77 1.13 -0.64 -4.94 117.38 115.26 2gr8 n GLN 1036Ca 0.01 -1.73 -0.42 0.00 -1.94 0.00 0.00 57.00 52.92 2gr8 n GLN 1036Cb 0.22 -1.28 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 2gr8 n GLN 1036CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gr8 s LEU 1037N -1.03 4.27 0.45 1.08 1.43 -1.13 -4.91 118.68 118.84 2gr8 s LEU 1037Ca 0.21 2.29 -0.24 0.00 -1.03 0.00 0.00 54.13 55.36 2gr8 s LEU 1037Cb 0.12 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 2gr8 s LEU 1037CO 0.17 -1.05 1.27 -2.84 0.23 0.00 0.00 176.35 174.14 2gr8 s PRO 1038N 4.33 3.72 0.01 1.29 0.02 -1.26 -5.04 135.00 138.08 2gr8 s PRO 1038Ca 0.79 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.86 2gr8 s PRO 1038Cb -0.35 -2.53 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 2gr8 s PRO 1038CO 0.33 -0.66 0.09 -1.14 -0.33 0.00 0.00 177.00 175.28 2gr8 s GLN 1039N -2.54 3.05 0.49 5.54 0.74 -1.26 -4.81 119.66 120.88 2gr8 s GLN 1039Ca 0.62 -0.52 -0.23 0.00 0.05 0.00 0.00 55.36 55.29 2gr8 s GLN 1039Cb -0.35 -2.85 -0.08 0.00 1.10 0.00 0.00 33.01 30.83 2gr8 s GLN 1039CO 0.44 0.63 1.12 0.00 -0.55 0.00 0.00 175.29 176.93 2gr8 n ALA 1040N 1.03 0.69 0.00 1.58 0.00 -1.26 -4.95 120.51 117.60 2gr8 n ALA 1040Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2gr8 n ALA 1040Cb 0.52 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2gr8 n ALA 1040CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gr8 n THR 1041N -0.85 0.00 -4.62 0.00 -2.24 -1.26 -4.91 114.28 100.39 2gr8 n THR 1041Ca 0.10 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 61.19 2gr8 n THR 1041Cb 0.42 0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 69.49 2gr8 n THR 1041CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2gr8 s MET 1042N -0.80 3.40 0.31 -0.78 -1.94 -1.26 -5.09 119.30 113.14 2gr8 s MET 1042Ca 0.00 -0.61 -0.30 0.00 -1.71 0.00 0.00 55.69 53.08 2gr8 s MET 1042Cb 0.00 -2.73 -0.12 0.00 2.01 0.00 0.00 34.83 34.00 2gr8 s MET 1042CO 0.00 0.29 1.57 -0.35 -0.01 0.00 0.00 175.02 176.52 2gr8 n PRO 1043N 3.35 2.69 -0.93 2.03 -0.04 -1.26 -2.31 135.00 138.53 2gr8 n PRO 1043Ca -0.18 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2gr8 n PRO 1043Cb 0.53 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2gr8 n PRO 1043CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gr8 n GLY 1044N 1.82 0.92 3.69 0.55 0.00 -0.25 -4.85 105.19 107.08 2gr8 n GLY 1044Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2gr8 n GLY 1044CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gr8 s LYS 1045N -0.07 2.54 -0.04 1.61 1.02 -0.98 -4.88 119.74 118.93 2gr8 s LYS 1045Ca 0.00 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.07 2gr8 s LYS 1045Cb 0.00 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 2gr8 s LYS 1045CO 0.00 0.50 -0.10 -1.12 -0.92 0.00 0.00 175.35 173.71 2gr8 s SER 1046N -2.65 4.35 -0.12 2.83 0.01 -1.26 -2.31 113.70 114.54 2gr8 s SER 1046Ca 0.27 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.42 2gr8 s SER 1046Cb -0.11 -0.99 -0.00 0.00 0.21 0.00 0.00 66.02 65.13 2gr8 s SER 1046CO 0.19 0.34 -0.19 -0.32 0.41 0.00 0.00 173.24 173.67 2gr8 s MET 1047N -0.92 3.18 -0.11 12.44 1.75 0.80 -4.99 119.30 131.45 2gr8 s MET 1047Ca 0.13 -0.80 -0.10 0.00 -1.25 0.00 0.00 55.69 53.68 2gr8 s MET 1047Cb -0.11 -2.47 -0.05 0.00 2.84 0.00 0.00 34.83 35.05 2gr8 s MET 1047CO 0.02 0.14 0.21 0.14 -0.65 0.00 0.00 175.02 174.88 2gr8 s VAL 1048N 0.47 5.38 0.00 10.11 -7.23 -1.26 -1.43 120.40 126.44 2gr8 s VAL 1048Ca -0.13 0.37 -0.04 0.00 -1.81 0.00 0.00 61.98 60.37 2gr8 s VAL 1048Cb -0.17 -3.49 -0.00 0.00 0.56 0.00 0.00 36.38 33.28 2gr8 s VAL 1048CO 0.05 0.57 0.07 0.00 -0.31 0.00 0.00 175.10 175.49 2gr8 s ALA 1049N -0.75 -0.16 0.03 1.32 0.00 0.83 -5.01 121.76 118.02 2gr8 s ALA 1049Ca 0.16 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2gr8 s ALA 1049Cb -0.13 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2gr8 s ALA 1049CO 0.05 -0.16 -0.09 0.96 0.00 0.00 0.00 175.76 176.52 2gr8 s ILE 1050N -1.15 0.66 0.03 0.00 -4.36 -1.26 -0.30 121.20 114.82 2gr8 s ILE 1050Ca -0.12 -0.89 -0.12 0.00 -0.26 0.00 0.00 60.65 59.26 2gr8 s ILE 1050Cb -0.07 -0.66 0.01 0.00 1.25 0.00 0.00 42.46 43.00 2gr8 s ILE 1050CO 0.00 -0.19 0.26 0.00 0.24 0.00 0.00 174.94 175.26 2gr8 s ALA 1051N -0.99 -0.58 0.08 2.27 0.00 -0.07 -4.83 121.76 117.64 2gr8 s ALA 1051Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2gr8 s ALA 1051Cb -0.08 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2gr8 s ALA 1051CO 0.01 -0.37 -0.05 0.20 0.00 0.00 0.00 175.76 175.55 2gr8 s GLY 1052N -1.95 0.63 0.16 0.00 0.00 -1.26 -0.96 107.32 103.94 2gr8 s GLY 1052Ca -0.07 -1.28 -0.12 0.00 0.00 0.00 0.00 44.72 43.26 2gr8 s GLY 1052CO -0.02 -1.38 0.36 -1.35 0.00 0.00 0.00 173.10 170.70 2gr8 s SER 1053N -2.96 -0.06 -0.02 1.64 1.04 -0.60 -4.61 113.70 108.11 2gr8 s SER 1053Ca 0.09 -0.69 -0.00 0.00 0.48 0.00 0.00 55.95 55.83 2gr8 s SER 1053Cb 0.06 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.69 2gr8 s SER 1053CO -0.07 -0.92 0.03 -0.55 0.98 0.00 0.00 173.24 172.71 2gr8 s SER 1054N -2.92 0.25 -0.19 7.02 0.15 -1.26 -2.05 113.70 114.70 2gr8 s SER 1054Ca 0.12 0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.77 2gr8 s SER 1054Cb 0.02 -0.09 0.09 0.00 -1.71 0.00 0.00 66.02 64.34 2gr8 s SER 1054CO -0.03 -0.15 0.33 -0.47 1.20 0.00 0.00 173.24 174.13 2gr8 s TYR 1055N 1.25 -0.62 -1.51 3.44 5.04 0.52 -4.94 117.35 120.52 2gr8 s TYR 1055Ca -0.07 0.99 -0.12 0.00 -2.44 0.00 0.00 57.07 55.43 2gr8 s TYR 1055Cb -0.13 0.03 0.08 0.00 0.35 0.00 0.00 41.96 42.29 2gr8 s TYR 1055CO -0.03 -0.52 0.91 1.04 -1.34 0.00 0.00 175.55 175.60 2gr8 n GLN 1056N 5.36 -5.16 -0.03 4.97 1.13 -1.26 -1.19 117.38 121.19 2gr8 n GLN 1056Ca -0.06 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.57 2gr8 n GLN 1056Cb 0.50 -5.38 0.00 0.00 0.11 0.00 0.00 30.24 25.47 2gr8 n GLN 1056CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr8 n GLY 1057N -1.67 2.18 3.90 1.08 0.00 -1.26 -5.02 105.19 104.40 2gr8 n GLY 1057Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2gr8 n GLY 1057CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gr8 s GLN 1058N -0.25 3.46 0.03 1.61 -1.52 -0.33 -5.09 119.66 117.56 2gr8 s GLN 1058Ca 0.00 -0.29 0.06 0.00 -1.95 0.00 0.00 55.36 53.18 2gr8 s GLN 1058Cb 0.00 -3.09 -0.03 0.00 -0.22 0.00 0.00 33.01 29.67 2gr8 s GLN 1058CO 0.00 0.67 -0.12 -0.80 -0.25 0.00 0.00 175.29 174.78 2gr8 s ASN 1059N -1.93 4.21 0.10 5.90 0.01 -1.26 -0.36 114.94 121.60 2gr8 s ASN 1059Ca 0.28 -0.31 0.10 0.00 -0.71 0.00 0.00 52.86 52.22 2gr8 s ASN 1059Cb -0.13 -0.83 -0.04 0.00 0.41 0.00 0.00 41.25 40.67 2gr8 s ASN 1059CO 0.19 0.26 -0.24 -0.83 -1.51 0.00 0.00 177.10 174.96 2gr8 s GLY 1060N -1.53 1.56 -0.04 0.66 0.00 -0.87 -1.15 107.32 105.95 2gr8 s GLY 1060Ca 0.16 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.53 2gr8 s GLY 1060CO 0.07 -1.31 -0.03 -2.27 0.00 0.00 0.00 173.10 169.56 2gr8 s LEU 1061N -1.81 1.29 -0.01 0.66 2.96 -0.14 -1.56 118.68 120.08 2gr8 s LEU 1061Ca 0.14 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 2gr8 s LEU 1061Cb -0.10 -0.38 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 2gr8 s LEU 1061CO 0.06 -0.06 -0.14 0.00 -1.32 0.00 0.00 176.35 174.88 2gr8 s ALA 1062N 0.93 1.17 0.01 5.97 0.00 -0.14 -0.79 121.76 128.91 2gr8 s ALA 1062Ca -0.11 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2gr8 s ALA 1062Cb -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2gr8 s ALA 1062CO -0.00 0.29 -0.22 0.96 0.00 0.00 0.00 175.76 176.78 2gr8 s ILE 1063N -0.32 2.42 -0.03 0.00 -4.36 0.30 -0.89 121.20 118.33 2gr8 s ILE 1063Ca 0.05 -1.15 -0.07 0.00 -0.26 0.00 0.00 60.65 59.22 2gr8 s ILE 1063Cb -0.05 -1.94 0.01 0.00 1.25 0.00 0.00 42.46 41.73 2gr8 s ILE 1063CO -0.01 0.46 0.16 -0.83 0.24 0.00 0.00 174.94 174.96 2gr8 s GLY 1064N -1.02 -0.03 0.02 6.27 0.00 0.59 -1.02 107.32 112.13 2gr8 s GLY 1064Ca 0.12 0.14 0.06 0.00 0.00 0.00 0.00 44.72 45.03 2gr8 s GLY 1064CO 0.02 0.03 -0.17 -1.34 0.00 0.00 0.00 173.10 171.63 2gr8 s VAL 1065N -0.79 1.34 0.01 1.40 -7.23 -0.18 -0.12 120.40 114.84 2gr8 s VAL 1065Ca -0.09 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.07 2gr8 s VAL 1065Cb -0.05 -1.17 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 2gr8 s VAL 1065CO 0.01 0.20 0.13 -0.94 -0.31 0.00 0.00 175.10 174.19 2gr8 s SER 1066N -0.87 0.07 -0.07 4.85 1.04 -0.52 -0.46 113.70 117.74 2gr8 s SER 1066Ca 0.05 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 2gr8 s SER 1066Cb -0.08 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.28 2gr8 s SER 1066CO 0.01 -0.42 0.21 -0.60 0.98 0.00 0.00 173.24 173.42 2gr8 s ARG 1067N -1.76 0.31 -0.10 4.02 3.52 -0.78 -0.14 118.95 124.03 2gr8 s ARG 1067Ca -0.12 0.17 -0.02 0.00 -0.13 0.00 0.00 55.73 55.64 2gr8 s ARG 1067Cb -0.06 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 2gr8 s ARG 1067CO -0.00 -0.05 -0.03 0.42 -0.81 0.00 0.00 175.30 174.82 2gr8 s ILE 1068N -0.19 3.98 0.87 4.11 1.01 -0.98 -1.75 121.20 128.26 2gr8 s ILE 1068Ca -0.03 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 2gr8 s ILE 1068Cb -0.03 -2.68 0.12 0.00 0.01 0.00 0.00 42.46 39.88 2gr8 s ILE 1068CO 0.01 0.56 1.17 -0.94 0.00 0.00 0.00 174.94 175.74 2gr8 s SER 1069N -0.43 3.18 0.29 3.58 1.04 0.25 -1.09 113.70 120.52 2gr8 s SER 1069Ca 0.07 2.25 0.02 0.00 0.48 0.00 0.00 55.95 58.77 2gr8 s SER 1069Cb -0.12 -2.57 0.58 0.00 0.10 0.00 0.00 66.02 64.00 2gr8 s SER 1069CO 0.02 -2.93 1.84 0.44 0.98 0.00 0.00 173.24 173.59 2gr8 h ASP 1070N -1.51 0.90 0.82 7.02 3.45 -1.89 0.62 116.42 125.83 2gr8 h ASP 1070Ca -0.44 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.06 2gr8 h ASP 1070Cb 1.28 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 2gr8 h ASP 1070CO 0.43 0.48 0.00 -0.46 -1.57 0.00 0.00 179.24 178.13 2gr8 n ASN 1071N -4.60 0.00 0.00 6.45 0.23 -1.26 -4.38 115.26 111.69 2gr8 n ASN 1071Ca 0.18 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.54 2gr8 n ASN 1071Cb 0.35 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 2gr8 n ASN 1071CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2gr8 n GLY 1072N 1.28 0.97 0.13 4.83 0.00 0.14 -4.93 105.19 107.62 2gr8 n GLY 1072Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2gr8 n GLY 1072CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gr8 h LYS 1073N 3.45 0.43 -5.59 1.61 1.57 -1.83 -3.45 116.57 112.75 2gr8 h LYS 1073Ca 0.00 -0.73 -0.66 0.00 -1.87 0.00 0.00 60.65 57.39 2gr8 h LYS 1073Cb 0.00 0.27 -0.23 0.00 0.08 0.00 0.00 32.23 32.35 2gr8 h LYS 1073CO 0.00 1.34 -0.72 0.08 -0.57 0.00 0.00 179.45 179.58 2gr8 s VAL 1074N -2.61 3.46 -0.05 0.50 1.01 -1.26 -0.80 120.40 120.65 2gr8 s VAL 1074Ca -0.09 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2gr8 s VAL 1074Cb 0.05 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 2gr8 s VAL 1074CO 0.91 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 175.75 2gr8 s ILE 1075N -0.00 1.45 -0.05 2.22 1.01 -0.55 -0.59 121.20 124.69 2gr8 s ILE 1075Ca -0.02 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.98 2gr8 s ILE 1075Cb -0.14 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 2gr8 s ILE 1075CO 0.03 0.42 -0.24 -0.63 0.00 0.00 0.00 174.94 174.52 2gr8 s ILE 1076N 0.10 1.95 -0.05 2.92 1.01 -0.72 -0.40 121.20 126.02 2gr8 s ILE 1076Ca -0.05 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.62 2gr8 s ILE 1076Cb -0.12 -1.65 -0.00 0.00 0.01 0.00 0.00 42.46 40.69 2gr8 s ILE 1076CO 0.03 0.55 -0.19 -0.13 0.00 0.00 0.00 174.94 175.20 2gr8 s ARG 1077N -0.18 1.98 -0.01 2.79 0.52 0.49 -1.86 118.95 122.69 2gr8 s ARG 1077Ca -0.02 -0.66 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 2gr8 s ARG 1077Cb -0.13 -1.69 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 2gr8 s ARG 1077CO 0.03 0.25 -0.11 -1.17 0.02 0.00 0.00 175.30 174.32 2gr8 s LEU 1078N 0.06 2.02 -0.01 2.53 2.96 0.39 0.00 118.68 126.63 2gr8 s LEU 1078Ca -0.05 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2gr8 s LEU 1078Cb -0.13 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 45.99 2gr8 s LEU 1078CO 0.03 0.14 0.03 -0.55 -1.32 0.00 0.00 176.35 174.68 2gr8 s SER 1079N -0.26 -0.02 -0.05 3.68 0.15 0.54 -1.01 113.70 116.72 2gr8 s SER 1079Ca 0.04 0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.78 2gr8 s SER 1079Cb -0.04 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2gr8 s SER 1079CO -0.00 -0.04 -0.22 -0.83 1.20 0.00 0.00 173.24 173.34 2gr8 s GLY 1080N -0.10 1.35 0.14 9.45 0.00 -0.18 -1.40 107.32 116.58 2gr8 s GLY 1080Ca -0.01 -1.04 0.06 0.00 0.00 0.00 0.00 44.72 43.73 2gr8 s GLY 1080CO 0.00 -0.70 -0.14 -0.51 0.00 0.00 0.00 173.10 171.75 2gr8 s THR 1081N -0.32 1.41 0.25 0.90 -4.23 0.63 -0.53 115.64 113.75 2gr8 s THR 1081Ca 0.02 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 2gr8 s THR 1081Cb -0.13 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 2gr8 s THR 1081CO 0.02 -0.45 0.28 0.28 -0.54 0.00 0.00 174.62 174.21 2gr8 s THR 1082N -2.33 0.00 0.34 3.99 -1.32 0.03 -1.04 115.64 115.31 2gr8 s THR 1082Ca 0.12 -1.80 0.04 0.00 -1.21 0.00 0.00 61.69 58.83 2gr8 s THR 1082Cb -0.04 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 2gr8 s THR 1082CO 0.04 0.00 0.37 -0.46 -2.21 0.00 0.00 174.62 172.35 2gr8 n ASN 1083N -0.67 -0.98 0.00 8.08 2.04 -1.20 -0.96 115.26 121.57 2gr8 n ASN 1083Ca 0.02 -3.05 0.05 0.00 -0.44 0.00 0.00 54.58 51.16 2gr8 n ASN 1083Cb 0.64 2.02 0.27 0.00 -2.53 0.00 0.00 39.78 40.18 2gr8 n ASN 1083CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2gr8 n SER 1084N -1.67 0.00 -0.87 0.53 3.41 -0.30 -0.81 113.62 113.90 2gr8 n SER 1084Ca 0.05 0.19 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 2gr8 n SER 1084Cb 0.59 -0.32 0.11 0.00 -0.26 0.00 0.00 64.21 64.33 2gr8 n SER 1084CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gr8 n GLN 1085N -1.32 1.99 -1.49 4.33 1.13 -1.26 -4.99 117.38 115.77 2gr8 n GLN 1085Ca 0.05 -1.82 -0.06 0.00 -1.94 0.00 0.00 57.00 53.22 2gr8 n GLN 1085Cb 0.09 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.01 2gr8 n GLN 1085CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr8 n GLY 1086N 1.20 0.61 3.64 1.08 0.00 0.01 -5.02 105.19 106.70 2gr8 n GLY 1086Ca 0.13 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 2gr8 n GLY 1086CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gr8 s LYS 1087N -3.12 4.06 0.17 1.61 -0.14 -1.26 -4.87 119.74 116.20 2gr8 s LYS 1087Ca 0.00 -0.06 -0.06 0.00 -1.36 0.00 0.00 55.97 54.49 2gr8 s LYS 1087Cb 0.00 -3.59 -0.06 0.00 -1.68 0.00 0.00 37.83 32.50 2gr8 s LYS 1087CO 0.00 -0.10 0.43 0.95 -0.76 0.00 0.00 175.35 175.86 2gr8 s THR 1088N 1.54 5.10 0.03 2.17 -4.23 -1.26 -3.27 115.64 115.72 2gr8 s THR 1088Ca 0.13 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2gr8 s THR 1088Cb -0.15 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 2gr8 s THR 1088CO 0.08 -0.00 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.29 2gr8 s GLY 1089N -2.44 0.30 0.03 3.99 0.00 -0.20 -4.97 107.32 104.02 2gr8 s GLY 1089Ca 0.43 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.50 2gr8 s GLY 1089CO 0.24 -0.76 -0.13 -1.34 0.00 0.00 0.00 173.10 171.11 2gr8 s VAL 1090N -1.76 0.98 -0.11 1.40 -7.23 -1.26 -0.26 120.40 112.16 2gr8 s VAL 1090Ca -0.12 -0.87 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 2gr8 s VAL 1090Cb -0.08 -0.89 0.04 0.00 0.56 0.00 0.00 36.38 36.01 2gr8 s VAL 1090CO -0.02 0.02 0.42 0.00 -0.31 0.00 0.00 175.10 175.21 2gr8 s ALA 1091N -0.75 -1.05 -0.01 1.32 0.00 -0.49 -5.02 121.76 115.75 2gr8 s ALA 1091Ca 0.01 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 2gr8 s ALA 1091Cb -0.07 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 2gr8 s ALA 1091CO 0.01 -0.24 0.05 0.00 0.00 0.00 0.00 175.76 175.58 2gr8 s ALA 1092N -0.38 -0.12 0.03 0.00 0.00 -1.26 -0.34 121.76 119.69 2gr8 s ALA 1092Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2gr8 s ALA 1092Cb -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2gr8 s ALA 1092CO 0.03 -0.10 -0.04 0.20 0.00 0.00 0.00 175.76 175.85 2gr8 s GLY 1093N -0.62 0.35 0.02 0.00 0.00 0.10 -4.99 107.32 102.18 2gr8 s GLY 1093Ca -0.07 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 43.92 2gr8 s GLY 1093CO 0.00 -0.84 -0.10 0.54 0.00 0.00 0.00 173.10 172.71 2gr8 s VAL 1094N -1.98 0.73 0.03 1.40 0.11 -1.26 -0.38 120.40 119.06 2gr8 s VAL 1094Ca -0.10 -0.66 -0.03 0.00 -2.93 0.00 0.00 61.98 58.26 2gr8 s VAL 1094Cb -0.06 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2gr8 s VAL 1094CO -0.03 0.02 0.03 -0.83 -3.33 0.00 0.00 175.10 170.96 2gr8 s GLY 1095N -0.72 0.25 -0.06 6.54 0.00 0.46 -5.00 107.32 108.79 2gr8 s GLY 1095Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.04 2gr8 s GLY 1095CO 0.00 -0.80 -0.08 -0.47 0.00 0.00 0.00 173.10 171.75 2gr8 s TYR 1096N -2.47 1.10 0.00 1.90 5.04 -1.26 -1.48 117.35 120.18 2gr8 s TYR 1096Ca -0.06 -0.38 0.08 0.00 -2.44 0.00 0.00 57.07 54.27 2gr8 s TYR 1096Cb -0.02 -0.87 -0.02 0.00 0.35 0.00 0.00 41.96 41.39 2gr8 s TYR 1096CO -0.04 -0.24 -0.24 1.14 -1.34 0.00 0.00 175.55 174.82 2gr8 s GLN 1097N 0.85 2.05 0.00 4.97 -2.07 0.02 -5.03 119.66 120.45 2gr8 s GLN 1097Ca -0.12 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 52.46 2gr8 s GLN 1097Cb -0.15 -2.07 0.00 0.00 -1.09 0.00 0.00 33.01 29.71 2gr8 s GLN 1097CO 0.01 0.55 0.05 -2.67 -1.32 0.00 0.00 175.29 171.91