#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 0.68 -0.16 -1.46 1.57 -1.99 -2.40 116.57 112.81 2gr8 h LYS 1022Ca 0.00 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2gr8 h LYS 1022Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2gr8 h LYS 1022CO 0.00 0.76 0.03 0.00 -0.57 0.00 0.00 179.45 179.66 2gr8 h ARG 1023N 0.62 0.26 -0.58 3.15 3.08 -2.01 -2.18 114.38 116.72 2gr8 h ARG 1023Ca 0.11 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 2gr8 h ARG 1023Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2gr8 h ARG 1023CO 0.03 0.43 -0.03 0.00 -1.07 0.00 0.00 179.97 179.33 2gr8 h ALA 1024N 0.81 0.85 -0.19 0.04 0.00 -1.99 -2.49 119.26 116.29 2gr8 h ALA 1024Ca 0.05 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2gr8 h ALA 1024Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2gr8 h ALA 1024CO 0.00 0.66 -0.41 -0.44 0.00 0.00 0.00 179.25 179.07 2gr8 h ASP 1025N 0.94 0.46 -0.37 0.00 3.32 -1.46 -2.32 116.42 116.99 2gr8 h ASP 1025Ca 0.16 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 2gr8 h ASP 1025Cb 0.59 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2gr8 h ASP 1025CO 0.04 0.81 -0.18 0.00 -1.72 0.00 0.00 179.24 178.19 2gr8 h ALA 1026N 1.21 0.86 -0.17 3.45 0.00 -1.27 -1.07 119.26 122.27 2gr8 h ALA 1026Ca 0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2gr8 h ALA 1026Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2gr8 h ALA 1026CO 0.07 0.64 0.10 0.78 0.00 0.00 0.00 179.25 180.84 2gr8 h GLY 1027N 0.95 0.26 0.60 0.00 0.00 -1.30 -1.58 103.07 102.01 2gr8 h GLY 1027Ca 0.11 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.40 2gr8 h GLY 1027CO 0.05 0.11 0.38 -0.84 0.00 0.00 0.00 176.54 176.24 2gr8 h THR 1028N 0.19 0.93 -0.61 4.70 2.02 -1.30 -2.13 112.91 116.72 2gr8 h THR 1028Ca 0.06 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.04 2gr8 h THR 1028Cb 0.05 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 2gr8 h THR 1028CO -0.01 0.12 0.37 0.00 0.37 0.00 0.00 175.52 176.37 2gr8 h ALA 1029N 1.38 0.79 -0.38 6.16 0.00 -0.92 0.97 119.26 127.28 2gr8 h ALA 1029Ca 0.33 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.27 2gr8 h ALA 1029Cb 0.26 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2gr8 h ALA 1029CO -0.21 0.10 0.13 0.77 0.00 0.00 0.00 179.25 180.03 2gr8 h SER 1030N 0.72 0.14 -0.17 0.00 0.02 -0.75 -1.04 113.55 112.46 2gr8 h SER 1030Ca 0.25 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 2gr8 h SER 1030Cb 0.04 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2gr8 h SER 1030CO -0.11 0.11 -0.32 0.00 -1.14 0.00 0.00 176.83 175.37 2gr8 h ALA 1031N 1.25 0.86 -0.54 3.77 0.00 -0.97 -1.26 119.26 122.37 2gr8 h ALA 1031Ca 0.17 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2gr8 h ALA 1031Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2gr8 h ALA 1031CO -0.18 0.63 0.26 -0.07 0.00 0.00 0.00 179.25 179.89 2gr8 h LEU 1032N 0.57 0.70 -0.30 0.00 3.38 -0.55 -1.21 115.31 117.90 2gr8 h LEU 1032Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2gr8 h LEU 1032Cb 0.82 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2gr8 h LEU 1032CO 0.07 0.64 0.13 0.00 0.09 0.00 0.00 178.44 179.36 2gr8 h ALA 1033N 1.10 0.39 -0.42 1.53 0.00 -1.04 -2.97 119.26 117.86 2gr8 h ALA 1033Ca 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2gr8 h ALA 1033Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2gr8 h ALA 1033CO -0.02 -0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.48 2gr8 h ALA 1034N 0.98 1.71 0.00 0.00 0.00 -1.06 -2.11 119.26 118.78 2gr8 h ALA 1034Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2gr8 h ALA 1034Cb 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2gr8 h ALA 1034CO -0.01 0.26 -0.08 0.66 0.00 0.00 0.00 179.25 180.08 2gr8 h SER 1035N 0.56 0.00 -0.44 0.00 4.64 -1.05 -2.98 113.55 114.28 2gr8 h SER 1035Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2gr8 h SER 1035Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2gr8 h SER 1035CO -0.03 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2gr8 n GLN 1036N -3.28 2.47 -2.03 4.77 1.13 -0.80 -4.90 117.38 114.73 2gr8 n GLN 1036Ca -0.00 -2.26 -0.42 0.00 -1.94 0.00 0.00 57.00 52.37 2gr8 n GLN 1036Cb 0.29 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 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 -1.25 4.25 0.63 1.08 1.43 -1.13 -4.89 118.68 118.80 2gr8 s LEU 1037Ca 0.37 2.13 -0.18 0.00 -1.03 0.00 0.00 54.13 55.42 2gr8 s LEU 1037Cb 0.21 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 2gr8 s LEU 1037CO 0.28 -0.98 1.25 -2.84 0.23 0.00 0.00 176.35 174.29 2gr8 s PRO 1038N 4.13 2.71 0.03 1.29 0.02 -1.26 -5.04 135.00 136.88 2gr8 s PRO 1038Ca 0.73 1.92 0.04 0.00 0.02 0.00 0.00 61.00 63.71 2gr8 s PRO 1038Cb -0.32 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 2gr8 s PRO 1038CO 0.29 -1.44 -0.08 -1.14 -0.33 0.00 0.00 177.00 174.31 2gr8 s GLN 1039N -3.41 2.45 0.46 5.54 0.74 -1.26 -4.78 119.66 119.40 2gr8 s GLN 1039Ca 0.79 -0.80 -0.23 0.00 0.05 0.00 0.00 55.36 55.17 2gr8 s GLN 1039Cb -0.33 -2.45 -0.09 0.00 1.10 0.00 0.00 33.01 31.24 2gr8 s GLN 1039CO 0.37 0.58 1.13 0.00 -0.55 0.00 0.00 175.29 176.82 2gr8 n ALA 1040N 1.34 0.72 0.00 1.58 0.00 -1.26 -4.94 120.51 117.94 2gr8 n ALA 1040Ca -0.15 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.49 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 -0.65 0.00 -4.43 0.00 -2.24 -1.26 -4.93 114.28 100.76 2gr8 n THR 1041Ca 0.09 -0.29 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 2gr8 n THR 1041Cb 0.41 0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.99 3.20 0.34 -0.78 -1.94 -1.26 -5.08 119.30 112.79 2gr8 s MET 1042Ca 0.00 -0.48 -0.29 0.00 -1.71 0.00 0.00 55.69 53.21 2gr8 s MET 1042Cb 0.00 -2.80 -0.11 0.00 2.01 0.00 0.00 34.83 33.92 2gr8 s MET 1042CO 0.00 0.52 1.54 -2.30 -0.01 0.00 0.00 175.02 174.77 2gr8 n PRO 1043N 2.69 2.69 -0.99 2.03 -0.02 -1.26 -2.55 135.00 137.60 2gr8 n PRO 1043Ca -0.18 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2gr8 n PRO 1043Cb 0.53 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2gr8 n PRO 1043CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gr8 n GLY 1044N 1.29 0.51 3.59 -1.23 0.00 -0.42 -4.86 105.19 104.07 2gr8 n GLY 1044Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.26 2.35 0.01 1.61 1.02 -1.06 -4.89 119.74 118.53 2gr8 s LYS 1045Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.12 2gr8 s LYS 1045Cb 0.00 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 2gr8 s LYS 1045CO 0.00 0.55 0.08 -1.12 -0.92 0.00 0.00 175.35 173.94 2gr8 s SER 1046N -1.83 5.62 -0.05 2.83 0.01 -1.26 -2.08 113.70 116.94 2gr8 s SER 1046Ca 0.20 0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.60 2gr8 s SER 1046Cb -0.11 -1.58 -0.00 0.00 0.21 0.00 0.00 66.02 64.53 2gr8 s SER 1046CO 0.11 0.25 -0.17 -0.32 0.41 0.00 0.00 173.24 173.52 2gr8 s MET 1047N -1.87 1.84 -0.13 12.44 1.75 0.13 -4.98 119.30 128.47 2gr8 s MET 1047Ca 0.24 -0.59 -0.04 0.00 -1.25 0.00 0.00 55.69 54.04 2gr8 s MET 1047Cb -0.12 -1.57 -0.03 0.00 2.84 0.00 0.00 34.83 35.95 2gr8 s MET 1047CO 0.15 0.21 0.02 0.08 -0.65 0.00 0.00 175.02 174.83 2gr8 s VAL 1048N 0.14 4.40 0.08 10.11 1.01 -1.26 -0.92 120.40 133.96 2gr8 s VAL 1048Ca -0.06 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2gr8 s VAL 1048Cb -0.12 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2gr8 s VAL 1048CO 0.03 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.56 2gr8 s ALA 1049N -0.19 1.00 0.00 5.51 0.00 0.17 -4.99 121.76 123.26 2gr8 s ALA 1049Ca 0.06 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2gr8 s ALA 1049Cb -0.12 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 2gr8 s ALA 1049CO 0.02 -0.00 -0.01 -1.50 0.00 0.00 0.00 175.76 174.27 2gr8 s ILE 1050N -2.02 0.04 -0.00 0.00 2.07 -1.26 -0.45 121.20 119.58 2gr8 s ILE 1050Ca 0.01 -0.07 -0.10 0.00 -1.41 0.00 0.00 60.65 59.08 2gr8 s ILE 1050Cb -0.06 -0.05 0.01 0.00 0.13 0.00 0.00 42.46 42.49 2gr8 s ILE 1050CO 0.00 -0.02 0.19 0.00 -1.91 0.00 0.00 174.94 173.21 2gr8 s ALA 1051N -0.09 -0.47 0.19 1.50 0.00 0.17 -4.87 121.76 118.20 2gr8 s ALA 1051Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 51.96 51.98 2gr8 s ALA 1051Cb -0.01 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2gr8 s ALA 1051CO -0.00 -0.23 -0.02 0.20 0.00 0.00 0.00 175.76 175.71 2gr8 s GLY 1052N -1.39 1.34 0.11 0.00 0.00 -1.26 -0.26 107.32 105.86 2gr8 s GLY 1052Ca -0.14 -1.65 -0.15 0.00 0.00 0.00 0.00 44.72 42.78 2gr8 s GLY 1052CO 0.02 -1.60 0.37 -1.35 0.00 0.00 0.00 173.10 170.54 2gr8 s SER 1053N -3.23 -0.19 -0.05 1.64 1.04 -0.45 -4.60 113.70 107.86 2gr8 s SER 1053Ca 0.24 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.35 2gr8 s SER 1053Cb 0.05 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.64 2gr8 s SER 1053CO 0.05 -0.82 -0.09 -0.44 0.98 0.00 0.00 173.24 172.92 2gr8 s SER 1054N -2.75 1.35 -0.21 7.02 0.01 -1.26 -1.78 113.70 116.08 2gr8 s SER 1054Ca 0.03 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 2gr8 s SER 1054Cb 0.02 -0.60 0.11 0.00 0.21 0.00 0.00 66.02 65.75 2gr8 s SER 1054CO -0.11 0.00 0.37 -0.47 0.41 0.00 0.00 173.24 173.45 2gr8 s TYR 1055N 0.69 -0.74 -1.50 2.43 5.04 0.47 -4.96 117.35 118.77 2gr8 s TYR 1055Ca -0.12 1.11 -0.12 0.00 -2.44 0.00 0.00 57.07 55.51 2gr8 s TYR 1055Cb -0.14 0.12 0.07 0.00 0.35 0.00 0.00 41.96 42.36 2gr8 s TYR 1055CO 0.02 -0.57 0.92 1.04 -1.34 0.00 0.00 175.55 175.62 2gr8 n GLN 1056N 5.37 -5.31 -0.31 4.97 1.13 -1.26 -0.91 117.38 121.05 2gr8 n GLN 1056Ca -0.06 0.59 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 2gr8 n GLN 1056Cb 0.50 -5.40 0.00 0.00 0.11 0.00 0.00 30.24 25.44 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 -1.68 1.69 3.81 1.08 0.00 -1.26 -5.03 105.19 103.81 2gr8 n GLY 1057Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.24 3.00 0.06 1.61 -1.52 -0.09 -5.09 119.66 117.39 2gr8 s GLN 1058Ca 0.00 -0.67 0.09 0.00 -1.95 0.00 0.00 55.36 52.83 2gr8 s GLN 1058Cb 0.00 -2.78 -0.03 0.00 -0.22 0.00 0.00 33.01 29.98 2gr8 s GLN 1058CO 0.00 0.56 -0.22 -0.80 -0.25 0.00 0.00 175.29 174.58 2gr8 s ASN 1059N -2.53 3.51 0.09 5.90 0.01 -1.26 -0.40 114.94 120.26 2gr8 s ASN 1059Ca 0.31 -0.55 0.10 0.00 -0.71 0.00 0.00 52.86 52.01 2gr8 s ASN 1059Cb -0.12 -0.43 -0.03 0.00 0.41 0.00 0.00 41.25 41.08 2gr8 s ASN 1059CO 0.23 0.24 -0.27 -0.83 -1.51 0.00 0.00 177.10 174.96 2gr8 s GLY 1060N -1.54 1.49 -0.05 0.66 0.00 -0.73 -1.17 107.32 105.98 2gr8 s GLY 1060Ca 0.14 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.50 2gr8 s GLY 1060CO 0.05 -1.30 -0.05 -2.27 0.00 0.00 0.00 173.10 169.52 2gr8 s LEU 1061N -1.65 1.32 -0.01 0.66 2.96 -0.09 -1.34 118.68 120.52 2gr8 s LEU 1061Ca 0.13 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2gr8 s LEU 1061Cb -0.10 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 2gr8 s LEU 1061CO 0.04 -0.05 -0.15 0.00 -1.32 0.00 0.00 176.35 174.87 2gr8 s ALA 1062N 0.97 1.23 -0.04 5.97 0.00 0.64 -0.65 121.76 129.89 2gr8 s ALA 1062Ca -0.10 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2gr8 s ALA 1062Cb -0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2gr8 s ALA 1062CO -0.00 0.29 -0.24 0.96 0.00 0.00 0.00 175.76 176.77 2gr8 s ILE 1063N -0.29 1.92 0.02 0.00 -4.36 -0.16 -0.65 121.20 117.68 2gr8 s ILE 1063Ca 0.05 -1.02 0.01 0.00 -0.26 0.00 0.00 60.65 59.43 2gr8 s ILE 1063Cb -0.06 -1.62 -0.02 0.00 1.25 0.00 0.00 42.46 42.01 2gr8 s ILE 1063CO -0.00 0.54 -0.04 -0.83 0.24 0.00 0.00 174.94 174.85 2gr8 s GLY 1064N -0.31 0.29 0.01 6.27 0.00 0.41 -1.24 107.32 112.74 2gr8 s GLY 1064Ca 0.02 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.23 2gr8 s GLY 1064CO 0.02 -0.60 -0.14 -1.34 0.00 0.00 0.00 173.10 171.03 2gr8 s VAL 1065N -1.20 1.14 0.03 1.40 -7.23 0.02 0.42 120.40 114.98 2gr8 s VAL 1065Ca -0.12 -0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 2gr8 s VAL 1065Cb -0.08 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 2gr8 s VAL 1065CO -0.00 0.20 0.04 -0.94 -0.31 0.00 0.00 175.10 174.09 2gr8 s SER 1066N -0.65 0.22 -0.08 4.85 1.04 -0.09 -0.09 113.70 118.90 2gr8 s SER 1066Ca 0.04 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 2gr8 s SER 1066Cb -0.06 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2gr8 s SER 1066CO 0.00 -0.44 0.24 -0.60 0.98 0.00 0.00 173.24 173.43 2gr8 s ARG 1067N -2.26 0.34 -0.07 4.02 3.52 -0.63 0.21 118.95 124.09 2gr8 s ARG 1067Ca -0.08 0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 2gr8 s ARG 1067Cb -0.04 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 2gr8 s ARG 1067CO -0.03 -0.06 -0.10 0.42 -0.81 0.00 0.00 175.30 174.72 2gr8 s ILE 1068N -0.16 3.44 0.93 4.11 1.01 -0.88 -1.49 121.20 128.15 2gr8 s ILE 1068Ca -0.03 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2gr8 s ILE 1068Cb -0.03 -2.39 0.15 0.00 0.01 0.00 0.00 42.46 40.20 2gr8 s ILE 1068CO 0.01 0.59 1.12 -0.94 0.00 0.00 0.00 174.94 175.71 2gr8 s SER 1069N -0.63 2.90 0.35 3.58 1.04 0.01 -1.69 113.70 119.26 2gr8 s SER 1069Ca 0.09 2.03 0.04 0.00 0.48 0.00 0.00 55.95 58.59 2gr8 s SER 1069Cb -0.11 -2.51 0.67 0.00 0.10 0.00 0.00 66.02 64.16 2gr8 s SER 1069CO 0.01 -3.09 1.98 0.44 0.98 0.00 0.00 173.24 173.57 2gr8 h ASP 1070N -1.86 0.72 0.67 7.02 3.45 -1.90 -0.10 116.42 124.42 2gr8 h ASP 1070Ca -0.46 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2gr8 h ASP 1070Cb 1.27 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 2gr8 h ASP 1070CO 0.44 0.49 -0.03 -0.46 -1.57 0.00 0.00 179.24 178.12 2gr8 n ASN 1071N -4.46 0.07 0.00 6.45 0.23 -1.26 -4.35 115.26 111.94 2gr8 n ASN 1071Ca 0.09 -0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2gr8 n ASN 1071Cb 0.14 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 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 1.36 1.06 0.09 4.83 0.00 -0.18 -4.92 105.19 107.42 2gr8 n GLY 1072Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 3.36 0.00 -5.28 1.61 1.57 -1.83 -3.46 116.57 112.55 2gr8 h LYS 1073Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2gr8 h LYS 1073Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 2gr8 h LYS 1073CO 0.00 0.57 -0.75 0.08 -0.57 0.00 0.00 179.45 178.77 2gr8 s VAL 1074N -2.76 3.13 -0.06 0.50 1.01 -1.26 -0.77 120.40 120.19 2gr8 s VAL 1074Ca -0.02 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2gr8 s VAL 1074Cb 0.09 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 2gr8 s VAL 1074CO 0.81 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 175.60 2gr8 s ILE 1075N 0.48 1.64 -0.04 2.22 1.01 -0.53 -0.81 121.20 125.17 2gr8 s ILE 1075Ca -0.08 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2gr8 s ILE 1075Cb -0.16 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 2gr8 s ILE 1075CO 0.04 0.47 -0.25 -0.63 0.00 0.00 0.00 174.94 174.56 2gr8 s ILE 1076N 0.13 2.06 -0.05 2.92 1.01 -0.56 -0.66 121.20 126.04 2gr8 s ILE 1076Ca -0.08 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.52 2gr8 s ILE 1076Cb -0.14 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2gr8 s ILE 1076CO 0.04 0.57 -0.13 -0.13 0.00 0.00 0.00 174.94 175.29 2gr8 s ARG 1077N -0.35 1.61 -0.00 2.79 0.52 0.44 -1.60 118.95 122.36 2gr8 s ARG 1077Ca 0.02 -0.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.82 2gr8 s ARG 1077Cb -0.12 -1.37 -0.01 0.00 0.52 0.00 0.00 34.95 33.97 2gr8 s ARG 1077CO 0.02 0.09 -0.11 -0.51 0.02 0.00 0.00 175.30 174.81 2gr8 s LEU 1078N 0.43 2.04 -0.05 2.53 1.43 0.87 -0.14 118.68 125.79 2gr8 s LEU 1078Ca -0.10 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 2gr8 s LEU 1078Cb -0.14 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.53 2gr8 s LEU 1078CO 0.03 0.12 0.17 -0.55 0.23 0.00 0.00 176.35 176.36 2gr8 s SER 1079N -0.35 -0.13 -0.04 2.29 0.15 0.40 -0.80 113.70 115.21 2gr8 s SER 1079Ca 0.04 0.21 0.07 0.00 0.70 0.00 0.00 55.95 56.97 2gr8 s SER 1079Cb -0.05 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.58 2gr8 s SER 1079CO -0.00 -0.15 -0.25 -0.83 1.20 0.00 0.00 173.24 173.21 2gr8 s GLY 1080N -0.31 1.27 0.15 9.45 0.00 -0.37 -1.12 107.32 116.38 2gr8 s GLY 1080Ca -0.04 -1.06 0.07 0.00 0.00 0.00 0.00 44.72 43.69 2gr8 s GLY 1080CO 0.01 -0.73 -0.16 -0.51 0.00 0.00 0.00 173.10 171.71 2gr8 s THR 1081N -0.30 1.58 0.25 0.90 -4.23 0.66 -0.98 115.64 113.51 2gr8 s THR 1081Ca 0.01 -1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 58.64 2gr8 s THR 1081Cb -0.12 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 2gr8 s THR 1081CO 0.02 -0.40 0.26 0.28 -0.54 0.00 0.00 174.62 174.24 2gr8 s THR 1082N -2.22 0.00 0.34 3.99 -1.32 0.18 -1.09 115.64 115.53 2gr8 s THR 1082Ca 0.13 -1.85 0.02 0.00 -1.21 0.00 0.00 61.69 58.79 2gr8 s THR 1082Cb -0.05 -2.47 -0.01 0.00 -1.51 0.00 0.00 72.50 68.47 2gr8 s THR 1082CO 0.05 0.00 0.40 0.54 -2.21 0.00 0.00 174.62 173.40 2gr8 s ASN 1083N -3.19 1.28 0.00 8.08 6.03 -1.22 -0.91 114.94 125.01 2gr8 s ASN 1083Ca 0.35 -1.62 0.09 0.00 -1.03 0.00 0.00 52.86 50.66 2gr8 s ASN 1083Cb 0.04 0.63 0.40 0.00 -3.03 0.00 0.00 41.25 39.28 2gr8 s ASN 1083CO 0.16 -1.22 1.28 -1.54 -2.03 0.00 0.00 177.10 173.75 2gr8 n SER 1084N -1.52 0.00 -1.07 3.54 3.41 -0.32 -0.68 113.62 116.98 2gr8 n SER 1084Ca 0.04 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 2gr8 n SER 1084Cb 0.62 -0.48 0.17 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.48 2.41 -1.59 4.33 1.13 -1.26 -4.98 117.38 115.94 2gr8 n GLN 1085Ca 0.02 -2.13 -0.09 0.00 -1.94 0.00 0.00 57.00 52.86 2gr8 n GLN 1085Cb 0.10 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.94 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 1.42 0.66 3.64 1.08 0.00 0.14 -5.01 105.19 107.13 2gr8 n GLY 1086Ca 0.17 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.35 4.07 0.20 1.61 -0.14 -1.26 -4.87 119.74 115.99 2gr8 s LYS 1087Ca 0.00 -0.08 -0.08 0.00 -1.36 0.00 0.00 55.97 54.46 2gr8 s LYS 1087Cb 0.00 -3.58 -0.07 0.00 -1.68 0.00 0.00 37.83 32.51 2gr8 s LYS 1087CO 0.00 -0.07 0.48 0.95 -0.76 0.00 0.00 175.35 175.95 2gr8 s THR 1088N 1.43 5.03 0.05 2.17 -4.23 -1.26 -3.43 115.64 115.40 2gr8 s THR 1088Ca 0.12 0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.94 2gr8 s THR 1088Cb -0.15 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 2gr8 s THR 1088CO 0.07 -0.03 -0.06 -0.83 -0.54 0.00 0.00 174.62 173.23 2gr8 s GLY 1089N -2.40 0.51 -0.00 3.99 0.00 -0.25 -4.97 107.32 104.20 2gr8 s GLY 1089Ca 0.45 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 44.26 2gr8 s GLY 1089CO 0.23 -1.01 -0.08 -1.34 0.00 0.00 0.00 173.10 170.90 2gr8 s VAL 1090N -2.27 0.60 -0.06 1.40 -7.23 -1.26 -0.25 120.40 111.34 2gr8 s VAL 1090Ca -0.04 -0.36 -0.12 0.00 -1.81 0.00 0.00 61.98 59.66 2gr8 s VAL 1090Cb -0.04 -0.51 0.02 0.00 0.56 0.00 0.00 36.38 36.41 2gr8 s VAL 1090CO -0.02 0.15 0.28 0.00 -0.31 0.00 0.00 175.10 175.19 2gr8 s ALA 1091N -0.23 -0.69 -0.05 1.32 0.00 -0.28 -5.02 121.76 116.81 2gr8 s ALA 1091Ca 0.02 0.49 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 2gr8 s ALA 1091Cb -0.03 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2gr8 s ALA 1091CO -0.00 -0.20 0.15 0.00 0.00 0.00 0.00 175.76 175.71 2gr8 s ALA 1092N -0.65 -0.36 0.03 0.00 0.00 -1.26 -0.45 121.76 119.07 2gr8 s ALA 1092Ca -0.07 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2gr8 s ALA 1092Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2gr8 s ALA 1092CO 0.02 -0.08 -0.06 0.20 0.00 0.00 0.00 175.76 175.85 2gr8 s GLY 1093N -0.00 0.39 0.03 0.00 0.00 0.80 -5.00 107.32 103.54 2gr8 s GLY 1093Ca -0.01 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.08 2gr8 s GLY 1093CO 0.00 -0.73 -0.11 0.54 0.00 0.00 0.00 173.10 172.80 2gr8 s VAL 1094N -1.36 0.89 0.02 1.40 0.11 -1.26 -0.42 120.40 119.79 2gr8 s VAL 1094Ca -0.12 -0.91 -0.10 0.00 -2.93 0.00 0.00 61.98 57.92 2gr8 s VAL 1094Cb -0.10 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2gr8 s VAL 1094CO -0.00 -0.07 0.20 -0.83 -3.33 0.00 0.00 175.10 171.07 2gr8 s GLY 1095N -1.10 0.01 -0.06 6.54 0.00 0.16 -5.01 107.32 107.86 2gr8 s GLY 1095Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.57 2gr8 s GLY 1095CO 0.01 -0.33 -0.08 -0.47 0.00 0.00 0.00 173.10 172.23 2gr8 s TYR 1096N -2.09 1.12 0.02 1.90 5.04 -1.26 -1.45 117.35 120.62 2gr8 s TYR 1096Ca -0.09 -0.39 0.09 0.00 -2.44 0.00 0.00 57.07 54.24 2gr8 s TYR 1096Cb -0.03 -0.89 -0.03 0.00 0.35 0.00 0.00 41.96 41.36 2gr8 s TYR 1096CO -0.01 -0.26 -0.26 1.14 -1.34 0.00 0.00 175.55 174.82 2gr8 s GLN 1097N 0.90 1.93 0.00 4.97 -2.07 0.05 -5.03 119.66 120.41 2gr8 s GLN 1097Ca -0.11 -1.04 0.00 0.00 -1.82 0.00 0.00 55.36 52.39 2gr8 s GLN 1097Cb -0.15 -2.02 0.00 0.00 -1.09 0.00 0.00 33.01 29.75 2gr8 s GLN 1097CO 0.01 0.53 0.03 -2.67 -1.32 0.00 0.00 175.29 171.87