#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 0.69 -0.40 -1.46 1.57 -1.98 -1.28 116.57 113.70 2gr8 h LYS 1022Ca 0.00 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 2gr8 h LYS 1022Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2gr8 h LYS 1022CO 0.00 0.72 -0.23 0.00 -0.57 0.00 0.00 179.45 179.38 2gr8 h ARG 1023N 0.65 0.86 -0.37 3.15 3.08 -2.01 -2.18 114.38 117.56 2gr8 h ARG 1023Ca 0.13 -0.39 -0.11 0.00 0.07 0.00 0.00 59.98 59.68 2gr8 h ARG 1023Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2gr8 h ARG 1023CO 0.02 1.03 -0.18 0.00 -1.07 0.00 0.00 179.97 179.77 2gr8 h ALA 1024N 0.81 0.52 -0.05 0.04 0.00 -1.96 -2.78 119.26 115.83 2gr8 h ALA 1024Ca 0.08 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2gr8 h ALA 1024Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2gr8 h ALA 1024CO 0.07 0.46 -0.42 -0.44 0.00 0.00 0.00 179.25 178.91 2gr8 h ASP 1025N 0.57 0.12 -0.37 0.00 3.32 -1.25 -2.43 116.42 116.37 2gr8 h ASP 1025Ca 0.08 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 2gr8 h ASP 1025Cb 0.73 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2gr8 h ASP 1025CO 0.05 0.53 -0.31 0.00 -1.72 0.00 0.00 179.24 177.80 2gr8 h ALA 1026N 1.47 0.68 -0.42 3.45 0.00 -1.37 -1.85 119.26 121.22 2gr8 h ALA 1026Ca 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 2gr8 h ALA 1026Cb 0.79 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2gr8 h ALA 1026CO 0.06 0.67 0.27 0.78 0.00 0.00 0.00 179.25 181.03 2gr8 h GLY 1027N 0.86 0.58 0.75 0.00 0.00 -1.28 -1.54 103.07 102.45 2gr8 h GLY 1027Ca 0.08 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.24 2gr8 h GLY 1027CO 0.08 0.21 0.29 -0.84 0.00 0.00 0.00 176.54 176.28 2gr8 h THR 1028N 0.56 0.98 -0.69 4.70 2.02 -1.38 -2.31 112.91 116.80 2gr8 h THR 1028Ca 0.15 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.18 2gr8 h THR 1028Cb -0.06 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 66.67 2gr8 h THR 1028CO -0.04 0.10 0.42 0.00 0.37 0.00 0.00 175.52 176.37 2gr8 h ALA 1029N 1.28 0.91 -0.40 6.16 0.00 -0.99 0.20 119.26 126.42 2gr8 h ALA 1029Ca 0.23 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2gr8 h ALA 1029Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2gr8 h ALA 1029CO -0.15 0.16 0.19 0.77 0.00 0.00 0.00 179.25 180.23 2gr8 h SER 1030N 0.81 0.28 0.03 0.00 0.02 -0.96 -0.17 113.55 113.56 2gr8 h SER 1030Ca 0.28 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.14 2gr8 h SER 1030Cb 0.07 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2gr8 h SER 1030CO -0.13 0.20 -0.38 0.00 -1.14 0.00 0.00 176.83 175.38 2gr8 h ALA 1031N 1.21 0.96 -0.61 3.77 0.00 -0.90 -1.09 119.26 122.61 2gr8 h ALA 1031Ca 0.17 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2gr8 h ALA 1031Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2gr8 h ALA 1031CO -0.12 0.62 0.13 -0.07 0.00 0.00 0.00 179.25 179.80 2gr8 h LEU 1032N 0.38 0.94 0.04 0.00 3.38 -0.31 -1.58 115.31 118.16 2gr8 h LEU 1032Ca 0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2gr8 h LEU 1032Cb 0.85 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2gr8 h LEU 1032CO 0.07 0.94 -0.02 0.00 0.09 0.00 0.00 178.44 179.52 2gr8 h ALA 1033N 1.03 -0.05 -0.57 1.53 0.00 -0.83 -3.05 119.26 117.32 2gr8 h ALA 1033Ca 0.19 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2gr8 h ALA 1033Cb 0.38 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2gr8 h ALA 1033CO 0.01 -0.47 0.38 0.00 0.00 0.00 0.00 179.25 179.17 2gr8 h ALA 1034N 0.78 1.86 0.00 0.00 0.00 -1.11 -1.91 119.26 118.88 2gr8 h ALA 1034Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2gr8 h ALA 1034Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2gr8 h ALA 1034CO 0.01 0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.96 2gr8 h SER 1035N 0.52 0.00 -0.36 0.00 4.64 -1.17 -2.85 113.55 114.33 2gr8 h SER 1035Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2gr8 h SER 1035Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2gr8 h SER 1035CO -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 2gr8 n GLN 1036N -2.76 2.41 -2.03 4.77 1.13 -0.72 -4.93 117.38 115.25 2gr8 n GLN 1036Ca 0.00 -2.03 -0.43 0.00 -1.94 0.00 0.00 57.00 52.60 2gr8 n GLN 1036Cb 0.23 -1.34 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 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 -1.06 4.06 0.55 1.08 1.43 -1.08 -4.88 118.68 118.78 2gr8 s LEU 1037Ca 0.28 1.92 -0.21 0.00 -1.03 0.00 0.00 54.13 55.09 2gr8 s LEU 1037Cb 0.15 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 2gr8 s LEU 1037CO 0.20 -1.16 1.26 -2.84 0.23 0.00 0.00 176.35 174.05 2gr8 s PRO 1038N 4.50 3.18 0.02 1.29 0.02 -1.26 -5.04 135.00 137.71 2gr8 s PRO 1038Ca 0.74 1.98 0.02 0.00 0.02 0.00 0.00 61.00 63.76 2gr8 s PRO 1038Cb -0.29 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.05 2gr8 s PRO 1038CO 0.30 -1.08 0.01 -1.14 -0.33 0.00 0.00 177.00 174.75 2gr8 s GLN 1039N -3.04 2.74 0.53 5.54 0.74 -1.26 -4.81 119.66 120.10 2gr8 s GLN 1039Ca 0.73 -0.66 -0.22 0.00 0.05 0.00 0.00 55.36 55.26 2gr8 s GLN 1039Cb -0.34 -2.64 -0.06 0.00 1.10 0.00 0.00 33.01 31.06 2gr8 s GLN 1039CO 0.39 0.60 1.17 0.00 -0.55 0.00 0.00 175.29 176.91 2gr8 n ALA 1040N 1.16 0.90 0.00 1.58 0.00 -1.26 -4.96 120.51 117.93 2gr8 n ALA 1040Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2gr8 n ALA 1040Cb 0.52 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.05 0.00 -4.45 0.00 -2.24 -1.26 -4.93 114.28 100.34 2gr8 n THR 1041Ca 0.11 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 2gr8 n THR 1041Cb 0.44 0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.08 3.23 0.27 -0.78 -1.94 -1.26 -5.08 119.30 112.66 2gr8 s MET 1042Ca 0.00 -0.49 -0.31 0.00 -1.71 0.00 0.00 55.69 53.18 2gr8 s MET 1042Cb 0.00 -2.80 -0.12 0.00 2.01 0.00 0.00 34.83 33.92 2gr8 s MET 1042CO 0.00 0.49 1.62 -2.30 -0.01 0.00 0.00 175.02 174.82 2gr8 n PRO 1043N 2.78 2.70 -0.97 2.03 -0.02 -1.26 -2.41 135.00 137.84 2gr8 n PRO 1043Ca -0.18 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2gr8 n PRO 1043Cb 0.53 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 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 2.56 0.83 3.76 -1.23 0.00 -0.56 -4.88 105.19 105.67 2gr8 n GLY 1044Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.03 2.79 0.06 1.61 1.02 -1.01 -4.88 119.74 119.30 2gr8 s LYS 1045Ca 0.00 -0.85 0.06 0.00 0.02 0.00 0.00 55.97 55.20 2gr8 s LYS 1045Cb 0.00 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 2gr8 s LYS 1045CO 0.00 0.51 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.71 2gr8 s SER 1046N -2.79 4.31 -0.07 2.83 0.01 -1.26 -1.96 113.70 114.77 2gr8 s SER 1046Ca 0.29 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.26 2gr8 s SER 1046Cb -0.11 -0.85 0.01 0.00 0.21 0.00 0.00 66.02 65.28 2gr8 s SER 1046CO 0.22 0.23 -0.17 -0.32 0.41 0.00 0.00 173.24 173.60 2gr8 s MET 1047N -1.80 2.16 -0.14 12.44 1.75 0.56 -4.98 119.30 129.29 2gr8 s MET 1047Ca 0.19 -0.60 -0.10 0.00 -1.25 0.00 0.00 55.69 53.92 2gr8 s MET 1047Cb -0.11 -1.73 -0.05 0.00 2.84 0.00 0.00 34.83 35.79 2gr8 s MET 1047CO 0.10 0.12 0.19 0.14 -0.65 0.00 0.00 175.02 174.92 2gr8 s VAL 1048N 0.44 5.39 0.02 10.11 -7.23 -1.26 -1.32 120.40 126.55 2gr8 s VAL 1048Ca -0.14 0.33 0.01 0.00 -1.81 0.00 0.00 61.98 60.37 2gr8 s VAL 1048Cb -0.16 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 2gr8 s VAL 1048CO 0.05 0.51 -0.06 0.00 -0.31 0.00 0.00 175.10 175.29 2gr8 s ALA 1049N -0.26 0.39 0.01 1.32 0.00 0.12 -5.01 121.76 118.34 2gr8 s ALA 1049Ca 0.14 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.56 2gr8 s ALA 1049Cb -0.12 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2gr8 s ALA 1049CO 0.03 -0.03 -0.08 -1.50 0.00 0.00 0.00 175.76 174.18 2gr8 s ILE 1050N -1.06 0.63 0.00 0.00 2.07 -1.26 -0.57 121.20 121.01 2gr8 s ILE 1050Ca -0.08 -0.60 -0.08 0.00 -1.41 0.00 0.00 60.65 58.48 2gr8 s ILE 1050Cb -0.08 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.94 2gr8 s ILE 1050CO -0.00 -0.00 0.15 0.00 -1.91 0.00 0.00 174.94 173.18 2gr8 s ALA 1051N -0.57 -0.35 0.18 1.50 0.00 0.90 -4.86 121.76 118.56 2gr8 s ALA 1051Ca -0.01 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2gr8 s ALA 1051Cb -0.05 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2gr8 s ALA 1051CO 0.00 -0.22 -0.06 0.20 0.00 0.00 0.00 175.76 175.69 2gr8 s GLY 1052N -1.43 1.25 0.13 0.00 0.00 -1.26 -0.36 107.32 105.65 2gr8 s GLY 1052Ca -0.14 -1.60 -0.15 0.00 0.00 0.00 0.00 44.72 42.83 2gr8 s GLY 1052CO 0.02 -1.61 0.39 -1.35 0.00 0.00 0.00 173.10 170.55 2gr8 s SER 1053N -3.22 -0.21 -0.04 1.64 1.04 -0.38 -4.60 113.70 107.93 2gr8 s SER 1053Ca 0.21 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2gr8 s SER 1053Cb 0.04 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.66 2gr8 s SER 1053CO 0.04 -0.86 -0.00 -0.55 0.98 0.00 0.00 173.24 172.84 2gr8 s SER 1054N -2.82 0.78 -0.18 7.02 0.15 -1.26 -1.57 113.70 115.82 2gr8 s SER 1054Ca 0.04 -0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.59 2gr8 s SER 1054Cb 0.02 -0.30 0.09 0.00 -1.71 0.00 0.00 66.02 64.12 2gr8 s SER 1054CO -0.11 -0.12 0.32 -0.47 1.20 0.00 0.00 173.24 174.07 2gr8 s TYR 1055N 1.24 -0.59 -1.55 3.44 5.04 0.87 -4.95 117.35 120.85 2gr8 s TYR 1055Ca -0.07 0.98 -0.14 0.00 -2.44 0.00 0.00 57.07 55.41 2gr8 s TYR 1055Cb -0.13 0.02 0.09 0.00 0.35 0.00 0.00 41.96 42.29 2gr8 s TYR 1055CO -0.02 -0.50 0.94 1.04 -1.34 0.00 0.00 175.55 175.67 2gr8 n GLN 1056N 5.36 -5.15 0.00 4.97 1.13 -1.26 -0.90 117.38 121.52 2gr8 n GLN 1056Ca -0.06 0.56 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 2gr8 n GLN 1056Cb 0.50 -5.41 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 -1.65 2.13 3.87 1.08 0.00 -1.26 -5.03 105.19 104.33 2gr8 n GLY 1057Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.31 3.40 0.05 1.61 -1.52 -0.08 -5.09 119.66 117.72 2gr8 s GLN 1058Ca 0.00 -0.20 0.05 0.00 -1.95 0.00 0.00 55.36 53.25 2gr8 s GLN 1058Cb 0.00 -3.13 -0.04 0.00 -0.22 0.00 0.00 33.01 29.62 2gr8 s GLN 1058CO 0.00 0.75 -0.07 -0.80 -0.25 0.00 0.00 175.29 174.91 2gr8 s ASN 1059N -1.25 4.57 0.13 5.90 0.01 -1.26 -0.09 114.94 122.95 2gr8 s ASN 1059Ca 0.18 -0.24 0.10 0.00 -0.71 0.00 0.00 52.86 52.19 2gr8 s ASN 1059Cb -0.12 -1.00 -0.04 0.00 0.41 0.00 0.00 41.25 40.50 2gr8 s ASN 1059CO 0.08 0.23 -0.25 -0.83 -1.51 0.00 0.00 177.10 174.81 2gr8 s GLY 1060N -1.80 1.52 -0.02 0.66 0.00 -0.61 -1.29 107.32 105.78 2gr8 s GLY 1060Ca 0.20 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.49 2gr8 s GLY 1060CO 0.11 -1.42 -0.01 -2.27 0.00 0.00 0.00 173.10 169.50 2gr8 s LEU 1061N -2.07 1.53 -0.01 0.66 2.96 -0.24 -1.25 118.68 120.26 2gr8 s LEU 1061Ca 0.13 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2gr8 s LEU 1061Cb -0.10 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.40 2gr8 s LEU 1061CO 0.06 -0.04 -0.05 0.00 -1.32 0.00 0.00 176.35 175.00 2gr8 s ALA 1062N 0.55 0.47 0.08 5.97 0.00 0.52 -0.98 121.76 128.37 2gr8 s ALA 1062Ca -0.05 -0.17 0.10 0.00 0.00 0.00 0.00 51.96 51.84 2gr8 s ALA 1062Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2gr8 s ALA 1062CO -0.01 0.08 -0.26 0.96 0.00 0.00 0.00 175.76 176.53 2gr8 s ILE 1063N 0.14 2.11 0.03 0.00 -4.36 -0.42 -0.07 121.20 118.64 2gr8 s ILE 1063Ca -0.01 -1.52 -0.21 0.00 -0.26 0.00 0.00 60.65 58.65 2gr8 s ILE 1063Cb -0.05 -1.84 0.05 0.00 1.25 0.00 0.00 42.46 41.86 2gr8 s ILE 1063CO -0.00 0.22 0.48 -0.83 0.24 0.00 0.00 174.94 175.05 2gr8 s GLY 1064N -1.57 -0.37 0.04 6.27 0.00 0.26 -1.16 107.32 110.79 2gr8 s GLY 1064Ca 0.12 0.56 0.06 0.00 0.00 0.00 0.00 44.72 45.45 2gr8 s GLY 1064CO 0.04 0.27 -0.17 -1.34 0.00 0.00 0.00 173.10 171.90 2gr8 s VAL 1065N -2.21 1.34 0.05 1.40 -7.23 0.12 0.12 120.40 113.99 2gr8 s VAL 1065Ca -0.07 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2gr8 s VAL 1065Cb -0.01 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 2gr8 s VAL 1065CO -0.00 0.09 -0.05 -0.94 -0.31 0.00 0.00 175.10 173.90 2gr8 s SER 1066N -1.14 0.60 -0.13 4.85 1.04 -0.43 -0.37 113.70 118.12 2gr8 s SER 1066Ca 0.04 -0.73 -0.10 0.00 0.48 0.00 0.00 55.95 55.64 2gr8 s SER 1066Cb -0.08 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.19 2gr8 s SER 1066CO 0.01 -0.38 0.33 -0.60 0.98 0.00 0.00 173.24 173.58 2gr8 s ARG 1067N -2.52 0.36 -0.08 4.02 3.52 -0.55 -0.32 118.95 123.39 2gr8 s ARG 1067Ca -0.04 0.51 -0.00 0.00 -0.13 0.00 0.00 55.73 56.07 2gr8 s ARG 1067Cb -0.03 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 2gr8 s ARG 1067CO -0.04 -0.08 -0.05 0.42 -0.81 0.00 0.00 175.30 174.75 2gr8 s ILE 1068N 0.48 3.89 0.92 4.11 1.01 -0.83 -1.03 121.20 129.75 2gr8 s ILE 1068Ca -0.03 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 2gr8 s ILE 1068Cb -0.04 -2.61 0.15 0.00 0.01 0.00 0.00 42.46 39.97 2gr8 s ILE 1068CO -0.03 0.60 1.12 -0.94 0.00 0.00 0.00 174.94 175.69 2gr8 s SER 1069N -0.77 2.99 0.33 3.58 1.04 0.31 -2.20 113.70 118.98 2gr8 s SER 1069Ca 0.12 2.01 0.01 0.00 0.48 0.00 0.00 55.95 58.56 2gr8 s SER 1069Cb -0.11 -2.51 0.56 0.00 0.10 0.00 0.00 66.02 64.06 2gr8 s SER 1069CO 0.02 -3.02 1.98 0.44 0.98 0.00 0.00 173.24 173.63 2gr8 h ASP 1070N -1.81 0.83 0.78 7.02 3.45 -1.89 -0.16 116.42 124.63 2gr8 h ASP 1070Ca -0.46 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2gr8 h ASP 1070Cb 1.27 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 2gr8 h ASP 1070CO 0.45 0.59 0.00 -0.46 -1.57 0.00 0.00 179.24 178.25 2gr8 n ASN 1071N -4.44 0.00 0.00 6.45 0.23 -1.26 -4.39 115.26 111.85 2gr8 n ASN 1071Ca 0.09 0.35 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 2gr8 n ASN 1071Cb 0.07 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 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 1.09 0.72 0.08 4.83 0.00 -0.18 -4.93 105.19 106.80 2gr8 n GLY 1072Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 2gr8 n GLY 1072CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gr8 n LYS 1073N -2.48 0.67 -4.19 1.61 5.02 -1.26 -4.85 118.16 112.68 2gr8 n LYS 1073Ca 0.00 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 2gr8 n LYS 1073Cb 0.00 -1.58 -0.12 0.00 -0.02 0.00 0.00 35.03 33.30 2gr8 n LYS 1073CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gr8 s VAL 1074N -2.75 4.00 -0.07 -0.18 1.01 -1.26 -0.91 120.40 120.24 2gr8 s VAL 1074Ca -0.08 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2gr8 s VAL 1074Cb 0.08 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2gr8 s VAL 1074CO 0.84 0.46 -0.20 -0.63 0.00 0.00 0.00 175.10 175.57 2gr8 s ILE 1075N 0.70 1.68 0.08 2.22 1.01 -0.42 -0.53 121.20 125.95 2gr8 s ILE 1075Ca -0.01 -0.82 0.09 0.00 0.00 0.00 0.00 60.65 59.91 2gr8 s ILE 1075Cb -0.14 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 2gr8 s ILE 1075CO 0.02 0.48 -0.24 0.27 0.00 0.00 0.00 174.94 175.47 2gr8 s ILE 1076N 0.25 2.39 -0.03 2.92 -4.36 -0.20 -0.65 121.20 121.52 2gr8 s ILE 1076Ca -0.11 -1.47 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 2gr8 s ILE 1076Cb -0.15 -2.00 0.01 0.00 1.25 0.00 0.00 42.46 41.56 2gr8 s ILE 1076CO 0.05 0.25 -0.05 -0.13 0.24 0.00 0.00 174.94 175.29 2gr8 s ARG 1077N -1.63 0.70 -0.05 0.37 0.52 0.10 -1.48 118.95 117.49 2gr8 s ARG 1077Ca 0.14 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.21 2gr8 s ARG 1077Cb -0.10 -0.69 0.01 0.00 0.52 0.00 0.00 34.95 34.69 2gr8 s ARG 1077CO 0.05 0.02 -0.08 -0.51 0.02 0.00 0.00 175.30 174.79 2gr8 s LEU 1078N 0.45 1.56 0.01 2.53 1.43 0.50 -0.66 118.68 124.50 2gr8 s LEU 1078Ca -0.06 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2gr8 s LEU 1078Cb -0.10 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.52 2gr8 s LEU 1078CO 0.00 0.01 -0.03 -0.55 0.23 0.00 0.00 176.35 176.01 2gr8 s SER 1079N 0.63 0.33 -0.02 2.29 0.15 0.66 -0.70 113.70 117.04 2gr8 s SER 1079Ca -0.10 -0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.40 2gr8 s SER 1079Cb -0.13 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2gr8 s SER 1079CO 0.01 -0.08 -0.23 -0.83 1.20 0.00 0.00 173.24 173.31 2gr8 s GLY 1080N -0.60 1.12 0.12 9.45 0.00 -0.31 -1.37 107.32 115.73 2gr8 s GLY 1080Ca -0.05 -0.98 0.05 0.00 0.00 0.00 0.00 44.72 43.74 2gr8 s GLY 1080CO -0.00 -0.81 -0.13 -0.51 0.00 0.00 0.00 173.10 171.65 2gr8 s THR 1081N -0.52 1.24 0.22 0.90 -4.23 0.10 -1.31 115.64 112.04 2gr8 s THR 1081Ca 0.08 -1.71 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 2gr8 s THR 1081Cb -0.09 -1.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 2gr8 s THR 1081CO -0.01 -0.46 0.25 0.28 -0.54 0.00 0.00 174.62 174.14 2gr8 s THR 1082N -2.25 0.00 0.33 3.99 -1.32 -0.15 -1.27 115.64 114.97 2gr8 s THR 1082Ca 0.08 -1.80 0.02 0.00 -1.21 0.00 0.00 61.69 58.79 2gr8 s THR 1082Cb -0.04 -2.41 -0.01 0.00 -1.51 0.00 0.00 72.50 68.54 2gr8 s THR 1082CO 0.02 0.00 0.39 -0.46 -2.21 0.00 0.00 174.62 172.36 2gr8 n ASN 1083N -0.34 -1.04 0.00 8.08 2.04 -1.20 -1.07 115.26 121.73 2gr8 n ASN 1083Ca 0.01 -2.96 0.05 0.00 -0.44 0.00 0.00 54.58 51.23 2gr8 n ASN 1083Cb 0.65 2.09 0.20 0.00 -2.53 0.00 0.00 39.78 40.19 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 -1.68 0.00 -0.97 0.53 3.41 -0.41 -0.62 113.62 113.88 2gr8 n SER 1084Ca 0.04 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 2gr8 n SER 1084Cb 0.58 -0.50 0.17 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.50 2.32 -1.33 4.33 1.13 -1.26 -4.97 117.38 116.10 2gr8 n GLN 1085Ca 0.02 -1.94 -0.07 0.00 -1.94 0.00 0.00 57.00 53.08 2gr8 n GLN 1085Cb 0.11 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 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 1.38 0.81 3.66 1.08 0.00 0.21 -5.01 105.19 107.33 2gr8 n GLY 1086Ca 0.16 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.83 4.17 0.20 1.61 -0.14 -1.26 -4.85 119.74 116.64 2gr8 s LYS 1087Ca 0.00 0.29 -0.04 0.00 -1.36 0.00 0.00 55.97 54.86 2gr8 s LYS 1087Cb 0.00 -3.55 -0.05 0.00 -1.68 0.00 0.00 37.83 32.54 2gr8 s LYS 1087CO 0.00 -0.10 0.44 0.95 -0.76 0.00 0.00 175.35 175.88 2gr8 s THR 1088N 1.49 5.12 0.00 2.17 -4.23 -1.26 -3.23 115.64 115.71 2gr8 s THR 1088Ca 0.21 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.65 2gr8 s THR 1088Cb -0.15 -3.68 -0.00 0.00 1.34 0.00 0.00 72.50 70.01 2gr8 s THR 1088CO 0.09 -0.11 0.10 -0.83 -0.54 0.00 0.00 174.62 173.33 2gr8 s GLY 1089N -2.79 0.08 0.03 3.99 0.00 -0.40 -4.98 107.32 103.27 2gr8 s GLY 1089Ca 0.42 -0.22 0.06 0.00 0.00 0.00 0.00 44.72 44.97 2gr8 s GLY 1089CO 0.27 -0.34 -0.17 -1.34 0.00 0.00 0.00 173.10 171.52 2gr8 s VAL 1090N -1.35 1.32 -0.04 1.40 -7.23 -1.26 0.02 120.40 113.26 2gr8 s VAL 1090Ca -0.14 -0.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.90 2gr8 s VAL 1090Cb -0.08 -1.16 0.03 0.00 0.56 0.00 0.00 36.38 35.73 2gr8 s VAL 1090CO 0.01 0.15 0.32 0.00 -0.31 0.00 0.00 175.10 175.27 2gr8 s ALA 1091N -0.72 -0.80 -0.06 1.32 0.00 -0.47 -5.02 121.76 116.01 2gr8 s ALA 1091Ca 0.05 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 2gr8 s ALA 1091Cb -0.08 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2gr8 s ALA 1091CO 0.01 -0.24 0.28 0.00 0.00 0.00 0.00 175.76 175.81 2gr8 s ALA 1092N -1.00 -0.70 0.03 0.00 0.00 -1.26 -0.25 121.76 118.58 2gr8 s ALA 1092Ca -0.11 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 2gr8 s ALA 1092Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2gr8 s ALA 1092CO 0.03 -0.19 0.11 0.20 0.00 0.00 0.00 175.76 175.91 2gr8 s GLY 1093N -0.61 0.15 -0.01 0.00 0.00 0.17 -4.99 107.32 102.03 2gr8 s GLY 1093Ca -0.07 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.17 2gr8 s GLY 1093CO 0.02 -0.63 -0.05 0.54 0.00 0.00 0.00 173.10 172.98 2gr8 s VAL 1094N -2.48 0.37 0.04 1.40 0.11 -1.26 -0.72 120.40 117.87 2gr8 s VAL 1094Ca -0.06 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2gr8 s VAL 1094Cb -0.02 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 2gr8 s VAL 1094CO -0.04 0.11 -0.06 -0.83 -3.33 0.00 0.00 175.10 170.95 2gr8 s GLY 1095N -0.04 0.46 -0.08 6.54 0.00 0.17 -5.01 107.32 109.37 2gr8 s GLY 1095Ca 0.01 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.93 2gr8 s GLY 1095CO -0.00 -0.88 -0.10 -0.47 0.00 0.00 0.00 173.10 171.65 2gr8 s TYR 1096N -1.81 1.38 -0.22 1.90 5.04 -1.26 -1.30 117.35 121.09 2gr8 s TYR 1096Ca -0.08 -0.56 -0.05 0.00 -2.44 0.00 0.00 57.07 53.94 2gr8 s TYR 1096Cb -0.07 -1.07 -0.02 0.00 0.35 0.00 0.00 41.96 41.15 2gr8 s TYR 1096CO -0.01 -0.34 -0.01 1.14 -1.34 0.00 0.00 175.55 174.99 2gr8 s GLN 1097N 1.01 3.51 0.00 4.97 -2.07 -0.09 -5.03 119.66 121.96 2gr8 s GLN 1097Ca -0.08 -0.56 0.26 0.00 -1.82 0.00 0.00 55.36 53.16 2gr8 s GLN 1097Cb -0.15 -3.09 0.63 0.00 -1.09 0.00 0.00 33.01 29.31 2gr8 s GLN 1097CO -0.00 -0.12 1.51 -2.67 -1.32 0.00 0.00 175.29 172.68