#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkl n HIS 1005N 0.00 0.00 -3.77 2.13 -0.00 -1.26 -4.97 115.22 107.35 3gkl n HIS 1005Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 3gkl n HIS 1005Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 3gkl n HIS 1005CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3gkl s SER 1006N -2.83 -0.32 0.29 0.41 0.15 -1.26 -4.99 113.70 105.15 3gkl s SER 1006Ca 0.08 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.30 3gkl s SER 1006Cb 0.15 0.69 0.44 0.00 -1.71 0.00 0.00 66.02 65.58 3gkl s SER 1006CO 0.80 -1.25 1.70 0.40 1.20 0.00 0.00 173.24 176.09 3gkl h ILE 1007N 2.00 1.29 -0.00 6.45 2.04 -1.90 -1.89 117.51 125.51 3gkl h ILE 1007Ca -0.22 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.19 3gkl h ILE 1007Cb 1.26 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 3gkl h ILE 1007CO 0.26 0.44 0.00 -1.20 0.00 0.00 0.00 178.15 177.65 3gkl n SER 1008N -4.05 0.17 -0.05 1.72 7.64 -1.25 0.23 113.62 118.03 3gkl n SER 1008Ca -0.01 -2.00 0.15 0.00 1.01 0.00 0.00 58.87 58.02 3gkl n SER 1008Cb 0.46 -0.08 0.80 0.00 -1.01 0.00 0.00 64.21 64.39 3gkl n SER 1008CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3gkl n ASP 1009N -0.42 0.18 -4.18 6.43 10.43 -0.71 -4.18 116.55 124.11 3gkl n ASP 1009Ca 0.00 -0.69 -0.31 0.00 2.57 0.00 0.00 54.79 56.37 3gkl n ASP 1009Cb 0.04 -0.10 -0.17 0.00 1.84 0.00 0.00 41.12 42.73 3gkl n ASP 1009CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3gkl s TYR 1010N -2.26 2.34 0.52 1.24 1.51 0.14 -4.87 117.35 115.96 3gkl s TYR 1010Ca 0.38 -0.96 -0.20 0.00 -1.01 0.00 0.00 57.07 55.28 3gkl s TYR 1010Cb 0.21 -1.59 -0.06 0.00 -0.11 0.00 0.00 41.96 40.41 3gkl s TYR 1010CO 0.42 -0.40 1.14 0.95 -1.11 0.00 0.00 175.55 176.55 3gkl s THR 1011N 0.43 3.13 0.25 -0.71 -4.23 -1.26 -0.25 115.64 113.01 3gkl s THR 1011Ca -0.18 0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 3gkl s THR 1011Cb -0.17 -3.32 0.28 0.00 1.34 0.00 0.00 72.50 70.62 3gkl s THR 1011CO 0.07 -0.11 1.64 -0.08 -0.54 0.00 0.00 174.62 175.61 3gkl h GLU 1012N 1.44 0.14 0.00 3.99 4.81 -1.92 0.16 114.58 123.21 3gkl h GLU 1012Ca -0.50 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 3gkl h GLU 1012Cb 1.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3gkl h GLU 1012CO 0.58 0.10 -0.28 0.00 -0.73 0.00 0.00 179.01 178.67 3gkl h ALA 1013N 1.71 1.27 -0.11 2.92 0.00 -1.93 0.24 119.26 123.36 3gkl h ALA 1013Ca 0.44 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3gkl h ALA 1013Cb 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3gkl h ALA 1013CO -0.64 0.35 -0.40 0.93 0.00 0.00 0.00 179.25 179.49 3gkl h GLU 1014N 0.00 0.46 0.00 0.00 5.08 -1.16 -2.71 114.58 116.24 3gkl h GLU 1014Ca -0.00 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 3gkl h GLU 1014Cb 0.60 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3gkl h GLU 1014CO 0.04 0.98 -0.21 0.35 -1.00 0.00 0.00 179.01 179.17 3gkl h PHE 1015N 0.03 0.00 -0.11 4.33 3.57 0.05 -1.85 116.94 122.97 3gkl h PHE 1015Ca -0.02 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.29 3gkl h PHE 1015Cb 1.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 3gkl h PHE 1015CO 0.11 0.21 -0.73 1.25 -2.23 0.00 0.00 178.31 176.92 3gkl h LEU 1016N 0.00 0.61 -0.32 0.59 7.12 -0.33 -1.23 115.31 121.75 3gkl h LEU 1016Ca -0.00 -0.40 -0.14 0.00 0.13 0.00 0.00 57.88 57.48 3gkl h LEU 1016Cb 0.39 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 3gkl h LEU 1016CO 0.03 1.15 -0.33 -0.61 -0.13 0.00 0.00 178.44 178.54 3gkl h GLN 1017N 0.36 0.79 -0.53 1.25 5.75 -1.04 -2.08 115.11 119.61 3gkl h GLN 1017Ca -0.03 -0.42 0.11 0.00 -0.15 0.00 0.00 58.65 58.15 3gkl h GLN 1017Cb 1.32 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 29.79 3gkl h GLN 1017CO 0.13 1.05 -0.03 1.25 -2.65 0.00 0.00 178.83 178.59 3gkl h LEU 1018N 0.56 -0.29 -0.10 -2.39 5.85 -1.06 -2.29 115.31 115.59 3gkl h LEU 1018Ca 0.05 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3gkl h LEU 1018Cb 0.91 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3gkl h LEU 1018CO 0.08 -0.11 0.03 0.58 -0.34 0.00 0.00 178.44 178.68 3gkl h VAL 1019N 0.09 1.19 0.00 1.05 2.07 -0.95 -0.75 116.25 118.94 3gkl h VAL 1019Ca 0.27 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3gkl h VAL 1019Cb 0.42 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3gkl h VAL 1019CO -0.47 0.17 0.13 0.00 0.02 0.00 0.00 177.57 177.42 3gkl h ALA 1020N 0.82 1.10 0.07 1.67 0.00 -1.27 -2.28 119.26 119.38 3gkl h ALA 1020Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 3gkl h ALA 1020Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3gkl h ALA 1020CO 0.00 -0.10 -2.02 2.41 0.00 0.00 0.00 179.25 179.54 3gkl n THR 1021N -2.38 1.67 -0.32 0.00 -1.04 -0.37 -2.90 114.28 108.93 3gkl n THR 1021Ca -0.02 -0.53 0.20 0.00 -2.04 0.00 0.00 64.05 61.67 3gkl n THR 1021Cb 0.16 -1.73 0.41 0.00 -1.82 0.00 0.00 70.33 67.36 3gkl n THR 1021CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3gkl h ILE 1022N -0.17 0.32 -0.01 12.58 2.04 -0.99 -2.90 117.51 128.38 3gkl h ILE 1022Ca -0.46 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3gkl h ILE 1022Cb 1.87 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3gkl h ILE 1022CO -0.03 0.06 -0.08 0.00 0.00 0.00 0.00 178.15 178.10 3gkl s ASP 1024N -2.26 5.35 0.37 0.00 -1.08 -1.10 -4.98 116.67 112.97 3gkl s ASP 1024Ca 0.34 -1.59 0.12 0.00 -0.52 0.00 0.00 52.55 50.90 3gkl s ASP 1024Cb 0.21 -1.87 0.70 0.00 -1.46 0.00 0.00 42.92 40.49 3gkl s ASP 1024CO 0.42 -0.47 1.83 0.00 0.52 0.00 0.00 175.17 177.47 3gkl h ALA 1025N 8.20 1.38 0.00 3.66 0.00 -1.84 0.20 119.26 130.85 3gkl h ALA 1025Ca -0.19 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gkl h ALA 1025Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gkl h ALA 1025CO 0.68 0.46 0.07 -0.25 0.00 0.00 0.00 179.25 180.21 3gkl n ASP 1026N -4.11 0.16 0.04 0.00 8.00 -1.26 -3.89 116.55 115.49 3gkl n ASP 1026Ca -0.02 0.53 0.05 0.00 0.71 0.00 0.00 54.79 56.06 3gkl n ASP 1026Cb 0.40 -0.54 0.47 0.00 -0.02 0.00 0.00 41.12 41.43 3gkl n ASP 1026CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gkl h ALA 1027N 1.76 1.79 -0.79 2.24 0.00 -0.91 -3.45 119.26 119.90 3gkl h ALA 1027Ca 0.00 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.10 3gkl h ALA 1027Cb 0.14 -0.13 -0.29 0.00 0.00 0.00 0.00 17.79 17.51 3gkl h ALA 1027CO 0.00 0.19 0.55 -0.08 0.00 0.00 0.00 179.25 179.91 3gkl s THR 1028N -5.41 -0.09 1.10 0.00 -1.32 -1.25 -5.11 115.64 103.56 3gkl s THR 1028Ca -0.08 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.24 3gkl s THR 1028Cb 0.18 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.41 3gkl s THR 1028CO 0.72 0.00 1.11 -0.94 -2.21 0.00 0.00 174.62 173.30 3gkl s SER 1029N 1.64 1.74 0.33 8.08 1.04 -1.26 -4.84 113.70 120.43 3gkl s SER 1029Ca -0.04 0.87 0.23 0.00 0.48 0.00 0.00 55.95 57.49 3gkl s SER 1029Cb -0.02 -1.30 0.31 0.00 0.10 0.00 0.00 66.02 65.10 3gkl s SER 1029CO -0.14 -3.64 1.47 -0.33 0.98 0.00 0.00 173.24 171.58 3gkl h GLU 1030N -2.25 0.00 0.04 4.02 4.39 -1.99 -2.64 114.58 116.16 3gkl h GLU 1030Ca -0.50 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.01 3gkl h GLU 1030Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 3gkl h GLU 1030CO 0.46 0.00 -1.02 1.05 -1.16 0.00 0.00 179.01 178.34 3gkl h GLU 1031N 0.00 0.09 0.00 2.33 4.11 -1.98 -2.58 114.58 116.55 3gkl h GLU 1031Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.28 3gkl h GLU 1031Cb 0.95 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3gkl h GLU 1031CO 0.00 1.07 0.00 0.39 0.07 0.00 0.00 179.01 180.54 3gkl n GLU 1032N -4.28 0.00 -0.29 1.06 1.02 -1.25 -0.10 120.64 116.80 3gkl n GLU 1032Ca -0.24 0.50 0.11 0.00 -0.02 0.00 0.00 57.16 57.50 3gkl n GLU 1032Cb 0.71 -0.76 0.25 0.00 -0.02 0.00 0.00 31.44 31.62 3gkl n GLU 1032CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3gkl h LEU 1033N 0.00 -0.04 -1.19 -4.62 5.85 -1.58 0.60 115.31 114.34 3gkl h LEU 1033Ca 0.00 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3gkl h LEU 1033Cb 0.00 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3gkl h LEU 1033CO 0.00 -0.13 0.56 -0.78 -0.34 0.00 0.00 178.44 177.75 3gkl h ASP 1034N 0.21 0.88 0.58 1.25 1.82 -0.38 0.34 116.42 121.12 3gkl h ASP 1034Ca 0.51 -0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.86 3gkl h ASP 1034Cb 0.98 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.81 3gkl h ASP 1034CO -0.63 0.58 -1.32 0.07 -1.61 0.00 0.00 179.24 176.33 3gkl h LYS 1035N 1.01 0.28 -0.91 0.28 2.10 0.35 -2.91 116.57 116.77 3gkl h LYS 1035Ca 0.36 -0.47 0.08 0.00 -2.00 0.00 0.00 60.65 58.62 3gkl h LYS 1035Cb 0.14 0.18 -0.06 0.00 -0.90 0.00 0.00 32.23 31.58 3gkl h LYS 1035CO -0.12 1.20 0.59 -0.07 -2.00 0.00 0.00 179.45 179.05 3gkl h LEU 1036N 0.08 0.87 -1.19 7.07 3.38 0.12 0.20 115.31 125.82 3gkl h LEU 1036Ca -0.16 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3gkl h LEU 1036Cb 1.99 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 3gkl h LEU 1036CO 0.20 0.53 -0.25 0.40 0.09 0.00 0.00 178.44 179.41 3gkl h ILE 1037N 0.97 0.65 0.08 1.22 2.04 -0.31 0.12 117.51 122.28 3gkl h ILE 1037Ca 0.41 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 3gkl h ILE 1037Cb 0.30 1.74 0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3gkl h ILE 1037CO -0.17 0.24 -0.45 0.74 0.00 0.00 0.00 178.15 178.51 3gkl h THR 1038N 0.00 1.63 -0.96 -0.27 2.02 -1.05 -2.83 112.91 111.46 3gkl h THR 1038Ca -0.00 -2.43 0.28 0.00 0.77 0.00 0.00 66.41 65.03 3gkl h THR 1038Cb 0.72 3.25 -0.14 0.00 -1.74 0.00 0.00 68.15 70.24 3gkl h THR 1038CO 0.03 0.66 0.46 -0.74 0.37 0.00 0.00 175.52 176.31 3gkl h HIS 1039N -0.63 0.75 0.08 3.16 -0.00 -0.15 -2.20 115.15 116.16 3gkl h HIS 1039Ca -0.08 0.04 -0.26 0.00 -0.00 0.00 0.00 60.37 60.08 3gkl h HIS 1039Cb 1.35 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 28.59 3gkl h HIS 1039CO 0.23 -0.15 -1.13 0.35 -0.00 0.00 0.00 177.93 177.23 3gkl h PHE 1040N 0.32 0.59 0.00 5.26 3.04 -0.75 0.27 116.94 125.68 3gkl h PHE 1040Ca 0.66 -0.38 -0.03 0.00 3.98 0.00 0.00 57.97 62.20 3gkl h PHE 1040Cb 1.41 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.87 3gkl h PHE 1040CO -0.10 1.25 -0.13 0.78 -2.02 0.00 0.00 178.31 178.10 3gkl h GLY 1041N 1.31 0.00 0.30 2.40 0.00 -1.29 -1.63 103.07 104.15 3gkl h GLY 1041Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3gkl h GLY 1041CO 0.19 0.00 -0.15 0.83 0.00 0.00 0.00 176.54 177.42 3gkl h GLU 1042N 0.00 0.09 0.01 4.80 5.08 -0.69 -1.42 114.58 122.45 3gkl h GLU 1042Ca -0.00 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3gkl h GLU 1042Cb 0.23 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3gkl h GLU 1042CO 0.02 0.90 -0.13 0.52 -1.00 0.00 0.00 179.01 179.32 3gkl h MET 1043N -0.68 -0.21 -0.01 2.33 2.86 -1.02 -3.15 114.93 115.04 3gkl h MET 1043Ca -0.02 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 3gkl h MET 1043Cb 0.96 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 3gkl h MET 1043CO 0.03 -0.14 -0.43 1.79 1.06 0.00 0.00 176.91 179.22 3gkl h THR 1044N -0.22 1.31 -1.60 2.22 1.35 -1.35 -3.42 112.91 111.20 3gkl h THR 1044Ca 0.04 -1.47 -0.12 0.00 -0.55 0.00 0.00 66.41 64.31 3gkl h THR 1044Cb 0.27 1.78 -0.05 0.00 -1.73 0.00 0.00 68.15 68.43 3gkl h THR 1044CO -0.12 0.42 -0.11 -0.62 -0.25 0.00 0.00 175.52 174.84 3gkl n GLU 1045N -4.03 -1.19 -2.16 4.72 1.02 -0.53 -4.91 120.64 113.56 3gkl n GLU 1045Ca -0.02 0.36 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 3gkl n GLU 1045Cb 0.46 -4.42 -0.03 0.00 -0.02 0.00 0.00 31.44 27.43 3gkl n GLU 1045CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3gkl s HIS 1046N -1.47 3.21 0.37 -0.32 2.46 -1.26 -4.96 115.29 113.32 3gkl s HIS 1046Ca 0.00 1.08 0.07 0.00 0.47 0.00 0.00 55.06 56.68 3gkl s HIS 1046Cb 0.00 -3.67 0.78 0.00 -0.13 0.00 0.00 32.58 29.56 3gkl s HIS 1046CO 0.00 -2.23 1.94 -1.00 -2.47 0.00 0.00 174.74 170.98 3gkl h PRO 1047N 5.84 0.69 0.00 2.88 0.13 -1.95 -2.66 132.00 136.93 3gkl h PRO 1047Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gkl h PRO 1047Cb 1.21 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3gkl h PRO 1047CO 0.81 0.46 0.00 0.77 -0.23 0.00 0.00 178.00 179.81 3gkl h SER 1048N 0.71 0.00 0.00 1.44 0.02 -2.00 -3.48 113.55 110.24 3gkl h SER 1048Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3gkl h SER 1048Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3gkl h SER 1048CO -0.13 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.17 3gkl n GLY 1049N 0.16 3.54 0.39 -3.77 0.00 -1.00 -2.48 105.19 102.02 3gkl n GLY 1049Ca 0.02 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3gkl n GLY 1049CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gkl n SER 1050N 5.37 1.52 0.20 1.61 3.41 -1.26 -3.02 113.62 121.45 3gkl n SER 1050Ca 0.00 -1.22 0.08 0.00 -0.26 0.00 0.00 58.87 57.47 3gkl n SER 1050Cb 0.00 0.25 0.60 0.00 -0.26 0.00 0.00 64.21 64.80 3gkl n SER 1050CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gkl h ASP 1051N 1.91 0.09 -0.90 4.04 3.45 -1.82 0.16 116.42 123.35 3gkl h ASP 1051Ca 0.00 -0.00 0.21 0.00 0.43 0.00 0.00 57.03 57.67 3gkl h ASP 1051Cb 0.62 -0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.31 3gkl h ASP 1051CO 0.00 0.06 0.60 -0.07 -1.57 0.00 0.00 179.24 178.26 3gkl h LEU 1052N 0.10 0.33 0.16 1.55 3.38 -1.67 0.32 115.31 119.49 3gkl h LEU 1052Ca 0.04 0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 3gkl h LEU 1052Cb 0.03 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 40.78 3gkl h LEU 1052CO -0.01 0.13 -1.13 0.40 0.09 0.00 0.00 178.44 177.92 3gkl h ILE 1053N 0.33 1.34 0.00 1.22 5.03 -0.94 -3.41 117.51 121.08 3gkl h ILE 1053Ca 0.46 -2.55 0.00 0.00 -0.12 0.00 0.00 64.86 62.66 3gkl h ILE 1053Cb 1.27 3.05 0.00 0.00 -3.03 0.00 0.00 36.82 38.11 3gkl h ILE 1053CO -0.15 0.74 -1.24 -1.22 -0.68 0.00 0.00 178.15 175.61 3gkl n TYR 1054N -3.97 0.00 -3.25 1.37 4.02 -0.60 -4.74 117.16 109.99 3gkl n TYR 1054Ca -0.17 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.47 3gkl n TYR 1054Cb 0.91 -0.17 -0.07 0.00 -0.02 0.00 0.00 39.34 39.99 3gkl n TYR 1054CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gkl n TYR 1055N -1.71 1.85 -2.78 -0.72 4.02 0.11 -5.02 117.16 112.92 3gkl n TYR 1055Ca -0.01 -3.88 -0.33 0.00 -0.01 0.00 0.00 57.90 53.66 3gkl n TYR 1055Cb 0.23 -0.46 -0.06 0.00 -0.02 0.00 0.00 39.34 39.02 3gkl n TYR 1055CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3gkl s PRO 1056N -2.13 4.20 0.44 -0.72 0.04 -1.16 -4.53 135.00 131.15 3gkl s PRO 1056Ca 0.39 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.55 3gkl s PRO 1056Cb 0.20 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3gkl s PRO 1056CO -0.07 -0.06 0.75 -1.21 0.04 0.00 0.00 177.00 176.45 3gkl s GLU 1057N -3.09 3.59 -0.36 4.56 2.02 -1.26 -4.86 118.70 119.30 3gkl s GLU 1057Ca 0.62 0.19 -0.36 0.00 0.02 0.00 0.00 54.97 55.44 3gkl s GLU 1057Cb -0.11 -2.42 -0.12 0.00 0.10 0.00 0.00 34.13 31.59 3gkl s GLU 1057CO 0.15 -0.12 2.19 -1.91 0.02 0.00 0.00 175.26 175.59 3gkl n GLU 1058N -1.96 1.00 0.00 1.61 2.13 -1.26 -1.65 120.64 120.51 3gkl n GLU 1058Ca 0.00 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.09 3gkl n GLU 1058Cb 0.55 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.86 3gkl n GLU 1058CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gkl n GLY 1059N 6.61 1.13 3.88 8.31 0.00 -1.26 -5.08 105.19 118.77 3gkl n GLY 1059Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 3gkl n GLY 1059CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gkl s ASP 1060N -1.98 6.57 -0.23 1.61 -0.00 -0.66 -5.05 116.67 116.93 3gkl s ASP 1060Ca 0.00 0.71 -0.22 0.00 -0.00 0.00 0.00 52.55 53.04 3gkl s ASP 1060Cb 0.00 -2.14 -0.02 0.00 -0.00 0.00 0.00 42.92 40.76 3gkl s ASP 1060CO 0.00 0.08 0.69 -0.62 -0.00 0.00 0.00 175.17 175.32 3gkl s ASP 1061N -2.16 6.70 -0.15 0.27 2.15 -1.26 -4.83 116.67 117.39 3gkl s ASP 1061Ca 0.39 0.86 0.16 0.00 0.43 0.00 0.00 52.55 54.38 3gkl s ASP 1061Cb -0.13 -2.37 0.60 0.00 -0.30 0.00 0.00 42.92 40.72 3gkl s ASP 1061CO 0.21 -0.37 1.51 -0.90 -0.17 0.00 0.00 175.17 175.46 3gkl n ASP 1062N 5.53 4.34 -4.80 -0.34 3.85 -1.26 -4.00 116.55 119.87 3gkl n ASP 1062Ca 0.01 -2.74 -0.32 0.00 -0.71 0.00 0.00 54.79 51.03 3gkl n ASP 1062Cb 0.49 -0.54 0.05 0.00 -1.35 0.00 0.00 41.12 39.76 3gkl n ASP 1062CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3gkl s SER 1063N -1.34 5.31 0.24 -1.12 1.04 -1.26 -4.85 113.70 111.71 3gkl s SER 1063Ca 0.44 1.76 -0.05 0.00 0.48 0.00 0.00 55.95 58.58 3gkl s SER 1063Cb 0.32 -2.52 0.42 0.00 0.10 0.00 0.00 66.02 64.34 3gkl s SER 1063CO 0.15 -1.49 1.73 -0.65 0.98 0.00 0.00 173.24 173.96 3gkl h PRO 1064N -0.34 0.41 0.00 4.02 0.11 -1.91 0.27 132.00 134.56 3gkl h PRO 1064Ca -0.45 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3gkl h PRO 1064Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3gkl h PRO 1064CO 0.56 0.27 -0.27 0.77 -0.21 0.00 0.00 178.00 179.12 3gkl h SER 1065N 0.43 0.00 -0.09 -2.05 0.02 -1.93 0.10 113.55 110.03 3gkl h SER 1065Ca 0.39 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 3gkl h SER 1065Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3gkl h SER 1065CO -0.39 0.27 0.00 1.23 -1.14 0.00 0.00 176.83 176.80 3gkl h GLY 1066N 0.91 0.26 0.00 -3.77 0.00 -0.71 -2.14 103.07 97.62 3gkl h GLY 1066Ca -0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 47.33 46.96 3gkl h GLY 1066CO 0.03 0.12 -1.32 1.39 0.00 0.00 0.00 176.54 176.77 3gkl n ILE 1067N -4.40 1.53 -0.20 2.60 5.41 -0.08 -2.51 119.36 121.72 3gkl n ILE 1067Ca -0.00 -0.04 -0.05 0.00 1.00 0.00 0.00 62.75 63.65 3gkl n ILE 1067Cb 0.17 -2.04 -0.05 0.00 -0.71 0.00 0.00 39.64 37.01 3gkl n ILE 1067CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3gkl n VAL 1068N -4.43 -0.32 -0.27 1.39 0.31 0.15 -1.62 118.33 113.54 3gkl n VAL 1068Ca -0.33 1.71 -0.07 0.00 -0.01 0.00 0.00 64.34 65.64 3gkl n VAL 1068Cb 0.69 -2.16 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 3gkl n VAL 1068CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3gkl n ASN 1069N -4.08 -0.67 0.26 4.52 2.85 -0.81 -1.21 115.26 116.12 3gkl n ASN 1069Ca 0.01 1.16 0.14 0.00 -0.11 0.00 0.00 54.58 55.78 3gkl n ASN 1069Cb 0.12 -0.16 0.71 0.00 1.24 0.00 0.00 39.78 41.70 3gkl n ASN 1069CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3gkl h THR 1070N 0.00 0.40 0.35 -0.44 1.35 -1.00 0.31 112.91 113.89 3gkl h THR 1070Ca 0.10 -0.60 -0.02 0.00 -0.55 0.00 0.00 66.41 65.34 3gkl h THR 1070Cb 0.26 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3gkl h THR 1070CO -0.60 0.11 -0.17 0.58 -0.25 0.00 0.00 175.52 175.19 3gkl h VAL 1071N 0.00 0.00 -2.53 6.82 2.07 -0.96 -2.42 116.25 119.24 3gkl h VAL 1071Ca -0.00 -0.62 -0.42 0.00 0.82 0.00 0.00 66.70 66.48 3gkl h VAL 1071Cb 0.42 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 29.82 3gkl h VAL 1071CO 0.01 0.00 -0.70 -0.75 0.02 0.00 0.00 177.57 176.15 3gkl s LYS 1072N -3.08 0.23 0.00 1.57 2.20 -0.35 -0.48 119.74 119.83 3gkl s LYS 1072Ca -0.07 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 3gkl s LYS 1072Cb 0.01 -1.03 0.00 0.00 -1.51 0.00 0.00 37.83 35.29 3gkl s LYS 1072CO 0.21 -0.94 0.00 1.04 -0.36 0.00 0.00 175.35 175.30 3gkl n GLN 1073N 5.29 0.00 0.15 4.03 1.13 0.10 -5.68 117.38 122.40 3gkl n GLN 1073Ca -0.05 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.95 3gkl n GLN 1073Cb 0.45 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.77 3gkl n GLN 1073CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 3gkl h TRP 1074N 0.00 -0.41 -0.99 1.08 7.01 -0.25 -2.73 115.95 119.66 3gkl h TRP 1074Ca 0.00 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.11 3gkl h TRP 1074Cb 0.00 0.13 -0.14 0.00 -2.10 0.00 0.00 29.16 27.05 3gkl h TRP 1074CO 0.00 -0.25 -0.48 0.54 -2.79 0.00 0.00 178.44 175.45 3gkl n ARG 1075N -4.32 -0.33 0.01 2.65 1.74 -0.45 -1.71 116.66 114.25 3gkl n ARG 1075Ca -0.05 1.51 0.06 0.00 -0.77 0.00 0.00 57.85 58.60 3gkl n ARG 1075Cb 0.17 -2.24 0.28 0.00 -1.02 0.00 0.00 32.46 29.66 3gkl n ARG 1075CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gkl n ALA 1076N -3.37 1.58 1.07 7.54 0.00 -1.20 0.25 120.51 126.38 3gkl n ALA 1076Ca 0.06 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3gkl n ALA 1076Cb 0.33 -1.21 0.32 0.00 0.00 0.00 0.00 19.45 18.89 3gkl n ALA 1076CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gkl n ALA 1077N -1.52 3.33 -1.73 0.00 0.00 -0.69 -3.92 120.51 115.98 3gkl n ALA 1077Ca 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.11 3gkl n ALA 1077Cb 0.15 -1.16 0.15 0.00 0.00 0.00 0.00 19.45 18.60 3gkl n ALA 1077CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gkl n ASN 1078N -1.31 2.59 0.00 0.00 3.02 0.70 -4.98 115.26 115.29 3gkl n ASN 1078Ca 0.07 -3.84 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 3gkl n ASN 1078Cb 0.33 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3gkl n ASN 1078CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gkl n GLY 1079N -0.99 0.64 3.28 7.41 0.00 -0.94 -4.92 105.19 109.68 3gkl n GLY 1079Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 3gkl n GLY 1079CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gkl n LYS 1080N -0.48 -0.42 -1.81 1.61 5.02 -1.18 -4.84 118.16 116.05 3gkl n LYS 1080Ca 0.00 -0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.78 3gkl n LYS 1080Cb 0.00 -1.60 -0.01 0.00 -0.02 0.00 0.00 35.03 33.40 3gkl n LYS 1080CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3gkl s SER 1081N -1.72 6.38 0.00 4.39 0.01 -1.26 -4.68 113.70 116.82 3gkl s SER 1081Ca 0.52 2.99 0.00 0.00 1.31 0.00 0.00 55.95 60.77 3gkl s SER 1081Cb -0.17 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.40 3gkl s SER 1081CO 0.71 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 174.09 3gkl n GLY 1082N 1.12 1.75 3.88 3.44 0.00 -1.26 -4.81 105.19 109.31 3gkl n GLY 1082Ca 0.04 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 3gkl n GLY 1082CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gkl s PHE 1083N 2.27 3.52 0.22 1.61 0.40 -1.26 -3.77 117.98 120.97 3gkl s PHE 1083Ca 0.00 1.01 -0.30 0.00 -0.60 0.00 0.00 56.93 57.04 3gkl s PHE 1083Cb 0.00 -2.44 -0.09 0.00 0.51 0.00 0.00 43.02 41.00 3gkl s PHE 1083CO 0.00 -0.25 1.38 0.21 0.70 0.00 0.00 175.22 177.26 3gkl s LYS 1084N -4.34 4.33 0.00 0.44 2.20 0.65 -4.92 119.74 118.10 3gkl s LYS 1084Ca 0.51 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 3gkl s LYS 1084Cb -0.10 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 3gkl s LYS 1084CO 0.39 -0.34 0.00 1.04 -0.36 0.00 0.00 175.35 176.08