#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 -4.23 2.13 8.25 -1.26 -5.06 115.22 115.05 3gkl n HIS 1005Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 3gkl n HIS 1005Cb 0.00 -0.98 -0.06 0.00 1.12 0.00 0.00 29.99 30.07 3gkl n HIS 1005CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3gkl n SER 1006N -3.16 -0.46 0.25 0.41 3.41 -1.26 -4.97 113.62 107.84 3gkl n SER 1006Ca -0.43 -2.72 0.10 0.00 -0.26 0.00 0.00 58.87 55.56 3gkl n SER 1006Cb 1.01 1.29 0.64 0.00 -0.26 0.00 0.00 64.21 66.88 3gkl n SER 1006CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3gkl h ILE 1007N 1.83 0.74 -0.03 -1.33 -2.65 -1.91 -2.22 117.51 111.92 3gkl h ILE 1007Ca -0.19 -0.66 0.00 0.00 1.03 0.00 0.00 64.86 65.05 3gkl h ILE 1007Cb 0.94 1.40 0.00 0.00 -2.05 0.00 0.00 36.82 37.11 3gkl h ILE 1007CO 0.28 0.16 0.00 -1.20 0.03 0.00 0.00 178.15 177.41 3gkl n SER 1008N -3.79 1.17 -0.13 2.16 7.64 -1.25 -2.14 113.62 117.28 3gkl n SER 1008Ca -0.02 -1.43 0.15 0.00 1.01 0.00 0.00 58.87 58.58 3gkl n SER 1008Cb 0.27 -0.02 0.76 0.00 -1.01 0.00 0.00 64.21 64.21 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 -0.07 0.44 -4.47 6.43 9.92 -0.83 -4.28 116.55 123.69 3gkl n ASP 1009Ca 0.19 -0.94 -0.33 0.00 -0.53 0.00 0.00 54.79 53.18 3gkl n ASP 1009Cb 0.29 -0.04 -0.13 0.00 -0.64 0.00 0.00 41.12 40.61 3gkl n ASP 1009CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3gkl s TYR 1010N -2.15 2.92 0.19 1.24 4.12 -0.91 -4.88 117.35 117.88 3gkl s TYR 1010Ca 0.40 -0.34 -0.30 0.00 0.02 0.00 0.00 57.07 56.85 3gkl s TYR 1010Cb 0.21 -1.85 -0.08 0.00 -1.52 0.00 0.00 41.96 38.72 3gkl s TYR 1010CO 0.39 -0.01 1.16 0.95 0.02 0.00 0.00 175.55 178.07 3gkl s THR 1011N 0.06 3.65 0.30 -0.71 -4.23 -1.26 0.96 115.64 114.41 3gkl s THR 1011Ca -0.02 1.42 0.06 0.00 -1.18 0.00 0.00 61.69 61.97 3gkl s THR 1011Cb -0.14 -3.91 0.37 0.00 1.34 0.00 0.00 72.50 70.17 3gkl s THR 1011CO 0.03 0.24 1.45 1.21 -0.54 0.00 0.00 174.62 177.02 3gkl n GLU 1012N 2.34 -0.07 0.21 3.99 2.13 -1.26 0.35 120.64 128.33 3gkl n GLU 1012Ca 0.03 1.36 0.05 0.00 0.66 0.00 0.00 57.16 59.26 3gkl n GLU 1012Cb 0.45 -2.23 0.45 0.00 0.27 0.00 0.00 31.44 30.38 3gkl n GLU 1012CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gkl h ALA 1013N 1.85 1.47 -0.00 4.31 0.00 -1.94 -0.05 119.26 124.90 3gkl h ALA 1013Ca 0.62 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 3gkl h ALA 1013Cb 1.39 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.15 3gkl h ALA 1013CO -0.83 0.35 -0.52 0.93 0.00 0.00 0.00 179.25 179.18 3gkl h GLU 1014N 0.00 0.36 -0.56 0.00 5.08 0.56 -2.87 114.58 117.14 3gkl h GLU 1014Ca -0.00 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 3gkl h GLU 1014Cb 0.51 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3gkl h GLU 1014CO 0.04 1.06 0.24 0.35 -1.00 0.00 0.00 179.01 179.70 3gkl h PHE 1015N -0.20 0.84 -0.41 4.33 3.57 -0.54 -2.78 116.94 121.76 3gkl h PHE 1015Ca -0.06 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.47 3gkl h PHE 1015Cb 1.24 -0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.64 3gkl h PHE 1015CO 0.15 0.67 -0.18 1.25 -2.23 0.00 0.00 178.31 177.98 3gkl h LEU 1016N 0.76 -0.61 -1.72 0.59 5.85 -1.04 0.43 115.31 119.57 3gkl h LEU 1016Ca 0.19 0.15 0.01 0.00 0.84 0.00 0.00 57.88 59.07 3gkl h LEU 1016Cb 0.18 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3gkl h LEU 1016CO -0.02 -0.21 0.21 -0.61 -0.34 0.00 0.00 178.44 177.47 3gkl h GLN 1017N -0.10 0.37 -0.23 1.25 5.75 -1.31 0.41 115.11 121.25 3gkl h GLN 1017Ca 0.20 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.61 3gkl h GLN 1017Cb 0.41 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 3gkl h GLN 1017CO -0.48 0.25 -0.11 1.25 -2.65 0.00 0.00 178.83 177.08 3gkl h LEU 1018N 0.38 0.50 -0.14 -2.39 5.85 -0.73 -2.31 115.31 116.47 3gkl h LEU 1018Ca 0.12 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3gkl h LEU 1018Cb 0.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3gkl h LEU 1018CO -0.03 0.80 0.01 0.58 -0.34 0.00 0.00 178.44 179.47 3gkl h VAL 1019N 0.20 1.24 -0.05 1.05 2.07 0.21 -1.80 116.25 119.16 3gkl h VAL 1019Ca 0.05 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.82 3gkl h VAL 1019Cb 0.61 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3gkl h VAL 1019CO 0.03 0.23 0.09 0.00 0.02 0.00 0.00 177.57 177.94 3gkl h ALA 1020N 0.78 1.42 0.07 1.67 0.00 -0.98 -1.53 119.26 120.68 3gkl h ALA 1020Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gkl h ALA 1020Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gkl h ALA 1020CO 0.00 -0.12 -0.03 1.15 0.00 0.00 0.00 179.25 180.25 3gkl h THR 1021N 0.00 0.75 -1.21 0.00 2.02 -0.76 -2.95 112.91 110.76 3gkl h THR 1021Ca 0.02 -1.40 0.42 0.00 0.77 0.00 0.00 66.41 66.23 3gkl h THR 1021Cb 0.21 1.37 -0.12 0.00 -1.74 0.00 0.00 68.15 67.87 3gkl h THR 1021CO -0.00 0.24 0.77 -0.38 0.37 0.00 0.00 175.52 176.52 3gkl n ILE 1022N -4.79 -0.23 1.33 3.11 5.41 -0.76 -0.78 119.36 122.66 3gkl n ILE 1022Ca -0.05 1.60 0.13 0.00 1.00 0.00 0.00 62.75 65.43 3gkl n ILE 1022Cb 0.22 -2.63 0.39 0.00 -0.71 0.00 0.00 39.64 36.92 3gkl n ILE 1022CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gkl s ASP 1024N -2.13 4.43 0.16 0.00 2.15 0.04 -4.99 116.67 116.33 3gkl s ASP 1024Ca 0.32 -0.50 0.23 0.00 0.43 0.00 0.00 52.55 53.04 3gkl s ASP 1024Cb 0.20 -1.75 0.11 0.00 -0.30 0.00 0.00 42.92 41.18 3gkl s ASP 1024CO 0.38 -0.06 1.13 0.00 -0.17 0.00 0.00 175.17 176.45 3gkl h ALA 1025N 8.12 0.50 -0.74 3.66 0.00 -1.84 -1.39 119.26 127.57 3gkl h ALA 1025Ca -0.39 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.26 3gkl h ALA 1025Cb 1.15 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 3gkl h ALA 1025CO 0.60 0.00 0.33 -0.40 0.00 0.00 0.00 179.25 179.78 3gkl n ASP 1026N -2.42 4.43 0.07 0.00 3.85 -1.26 -4.19 116.55 117.03 3gkl n ASP 1026Ca 0.01 -3.20 0.10 0.00 -0.71 0.00 0.00 54.79 50.99 3gkl n ASP 1026Cb 0.50 -0.75 -0.04 0.00 -1.35 0.00 0.00 41.12 39.48 3gkl n ASP 1026CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gkl n ALA 1027N -0.30 2.47 -3.67 2.12 0.00 -0.52 -4.96 120.51 115.64 3gkl n ALA 1027Ca 0.42 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 3gkl n ALA 1027Cb 1.38 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.69 3gkl n ALA 1027CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gkl s THR 1028N -3.32 -0.03 1.25 0.00 -4.23 -1.26 -5.09 115.64 102.96 3gkl s THR 1028Ca -0.02 0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.45 3gkl s THR 1028Cb 0.10 -0.50 0.32 0.00 1.34 0.00 0.00 72.50 73.76 3gkl s THR 1028CO 0.81 0.05 0.99 -0.94 -0.54 0.00 0.00 174.62 174.99 3gkl s SER 1029N 1.25 0.29 0.00 3.99 1.04 -1.26 -4.77 113.70 114.24 3gkl s SER 1029Ca -0.09 1.42 0.27 0.00 0.48 0.00 0.00 55.95 58.03 3gkl s SER 1029Cb -0.09 -2.18 0.92 0.00 0.10 0.00 0.00 66.02 64.77 3gkl s SER 1029CO -0.10 -4.62 1.67 -0.62 0.98 0.00 0.00 173.24 170.56 3gkl n GLU 1030N -5.19 0.69 -0.11 4.02 -0.58 -1.26 -2.31 120.64 115.91 3gkl n GLU 1030Ca 0.04 -0.35 -0.24 0.00 -0.42 0.00 0.00 57.16 56.19 3gkl n GLU 1030Cb 0.55 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.81 3gkl n GLU 1030CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3gkl n GLU 1031N -0.85 0.62 0.00 3.49 0.28 -1.26 -3.03 120.64 119.89 3gkl n GLU 1031Ca 0.12 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 3gkl n GLU 1031Cb 0.32 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.60 3gkl n GLU 1031CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3gkl n GLU 1032N -3.93 0.00 -0.33 3.44 1.02 -1.25 -2.04 120.64 117.55 3gkl n GLU 1032Ca -0.44 0.25 0.24 0.00 -0.02 0.00 0.00 57.16 57.18 3gkl n GLU 1032Cb 0.89 -0.47 0.46 0.00 -0.02 0.00 0.00 31.44 32.30 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 0.35 -1.32 -4.62 5.85 -1.59 4.04 115.31 118.01 3gkl h LEU 1033Ca 0.00 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3gkl h LEU 1033Cb 0.00 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3gkl h LEU 1033CO 0.00 -0.22 0.51 -0.78 -0.34 0.00 0.00 178.44 177.61 3gkl h ASP 1034N 0.22 0.72 0.18 1.25 1.82 -1.43 0.43 116.42 119.62 3gkl h ASP 1034Ca 0.73 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 57.36 3gkl h ASP 1034Cb 1.70 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.56 3gkl h ASP 1034CO -0.67 0.46 -0.09 0.11 -1.61 0.00 0.00 179.24 177.45 3gkl h LYS 1035N 0.82 -0.23 -0.53 0.28 1.79 0.84 -2.84 116.57 116.69 3gkl h LYS 1035Ca 0.34 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.87 3gkl h LYS 1035Cb 0.27 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 3gkl h LYS 1035CO -0.12 0.10 -0.32 1.28 -1.08 0.00 0.00 179.45 179.32 3gkl n LEU 1036N -4.93 -0.57 0.26 2.94 4.77 -0.78 -0.80 117.00 117.89 3gkl n LEU 1036Ca -0.06 1.01 0.08 0.00 -0.03 0.00 0.00 56.01 57.00 3gkl n LEU 1036Cb 0.22 -0.15 0.63 0.00 -2.33 0.00 0.00 43.42 41.79 3gkl n LEU 1036CO 0.19 -0.80 1.06 0.40 -1.33 0.00 0.00 177.39 176.91 3gkl h ILE 1037N 0.00 1.01 0.05 -0.08 2.04 -0.12 -0.14 117.51 120.27 3gkl h ILE 1037Ca 0.09 -0.04 -0.23 0.00 1.00 0.00 0.00 64.86 65.67 3gkl h ILE 1037Cb 0.22 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3gkl h ILE 1037CO -0.50 0.01 -1.05 0.74 0.00 0.00 0.00 178.15 177.35 3gkl h THR 1038N 0.00 1.55 -0.46 -0.27 2.02 -0.85 -2.85 112.91 112.05 3gkl h THR 1038Ca 0.00 -2.99 -0.03 0.00 0.77 0.00 0.00 66.41 64.16 3gkl h THR 1038Cb 0.02 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 3gkl h THR 1038CO 0.00 0.87 0.18 -0.74 0.37 0.00 0.00 175.52 176.20 3gkl h HIS 1039N 0.07 0.70 -0.59 3.16 -0.00 0.71 -2.90 115.15 116.31 3gkl h HIS 1039Ca -0.07 -0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.16 3gkl h HIS 1039Cb 1.76 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.94 3gkl h HIS 1039CO 0.04 0.60 0.03 0.35 -0.00 0.00 0.00 177.93 178.95 3gkl h PHE 1040N 0.60 1.08 0.00 5.26 3.04 -1.02 0.26 116.94 126.15 3gkl h PHE 1040Ca 0.15 -0.16 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 3gkl h PHE 1040Cb 0.20 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 3gkl h PHE 1040CO 0.00 0.94 -0.17 0.78 -2.02 0.00 0.00 178.31 177.85 3gkl h GLY 1041N 1.01 0.00 0.47 2.40 0.00 -1.53 -1.32 103.07 104.09 3gkl h GLY 1041Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 3gkl h GLY 1041CO 0.02 0.00 -0.39 0.83 0.00 0.00 0.00 176.54 177.00 3gkl h GLU 1042N 0.00 0.20 -0.70 4.80 5.08 -0.81 -2.70 114.58 120.45 3gkl h GLU 1042Ca -0.00 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3gkl h GLU 1042Cb 0.39 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3gkl h GLU 1042CO 0.02 1.04 0.42 0.52 -1.00 0.00 0.00 179.01 180.01 3gkl h MET 1043N -0.51 0.77 0.00 2.33 2.86 -0.54 -3.25 114.93 116.58 3gkl h MET 1043Ca -0.06 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.40 3gkl h MET 1043Cb 1.21 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 3gkl h MET 1043CO 0.08 0.51 -0.88 1.79 1.06 0.00 0.00 176.91 179.46 3gkl h THR 1044N 0.79 0.72 -0.59 2.22 1.35 -1.29 -3.38 112.91 112.73 3gkl h THR 1044Ca 0.30 -2.13 -0.05 0.00 -0.55 0.00 0.00 66.41 63.97 3gkl h THR 1044Cb 0.10 2.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 3gkl h THR 1044CO -0.14 0.41 -0.05 -0.62 -0.25 0.00 0.00 175.52 174.87 3gkl n GLU 1045N -3.08 -1.70 -1.87 4.72 1.02 -1.02 -4.90 120.64 113.81 3gkl n GLU 1045Ca -0.03 0.26 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 3gkl n GLU 1045Cb 0.78 -3.78 -0.03 0.00 -0.02 0.00 0.00 31.44 28.39 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 -0.79 2.63 0.30 -0.32 2.46 -1.26 -4.93 115.29 113.37 3gkl s HIS 1046Ca 0.00 0.36 0.03 0.00 0.47 0.00 0.00 55.06 55.92 3gkl s HIS 1046Cb 0.00 -4.01 0.60 0.00 -0.13 0.00 0.00 32.58 29.04 3gkl s HIS 1046CO 0.00 -3.95 1.85 -1.00 -2.47 0.00 0.00 174.74 169.17 3gkl h PRO 1047N 7.72 0.92 -0.49 2.88 0.13 -1.96 -2.37 132.00 138.84 3gkl h PRO 1047Ca -0.43 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 64.69 3gkl h PRO 1047Cb 1.21 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 3gkl h PRO 1047CO 0.93 0.61 0.32 0.77 -0.23 0.00 0.00 178.00 180.41 3gkl h SER 1048N 0.95 0.40 0.00 1.44 0.02 -2.00 -3.47 113.55 110.88 3gkl h SER 1048Ca 0.48 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 3gkl h SER 1048Cb 0.49 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3gkl h SER 1048CO -0.24 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 3gkl n GLY 1049N -1.50 3.50 0.96 -3.77 0.00 -0.90 -2.79 105.19 100.70 3gkl n GLY 1049Ca 0.06 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 6.86 3.00 0.19 1.61 3.41 -1.26 -2.72 113.62 124.70 3gkl n SER 1050Ca 0.00 -2.00 0.17 0.00 -0.26 0.00 0.00 58.87 56.78 3gkl n SER 1050Cb 0.00 -0.00 0.80 0.00 -0.26 0.00 0.00 64.21 64.75 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 4.70 0.00 -0.28 4.04 3.45 -1.85 0.50 116.42 126.98 3gkl h ASP 1051Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 3gkl h ASP 1051Cb 1.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.75 3gkl h ASP 1051CO 0.00 0.00 -0.03 -0.07 -1.57 0.00 0.00 179.24 177.57 3gkl h LEU 1052N 0.00 0.61 -0.06 1.55 3.38 -1.68 -0.49 115.31 118.62 3gkl h LEU 1052Ca 0.10 -0.14 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 3gkl h LEU 1052Cb 0.51 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.11 3gkl h LEU 1052CO -0.00 0.71 -0.88 0.40 0.09 0.00 0.00 178.44 178.76 3gkl h ILE 1053N 0.60 1.29 0.00 1.22 2.04 -1.12 -3.39 117.51 118.15 3gkl h ILE 1053Ca 0.12 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.87 3gkl h ILE 1053Cb 0.43 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3gkl h ILE 1053CO 0.02 0.65 -0.47 -1.22 0.00 0.00 0.00 178.15 177.13 3gkl n TYR 1054N -3.94 0.00 -3.11 1.37 4.02 -0.68 -4.71 117.16 110.11 3gkl n TYR 1054Ca -0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.56 3gkl n TYR 1054Cb 0.80 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.08 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 -1.10 2.21 -2.31 -0.72 4.02 -0.23 -5.01 117.16 114.01 3gkl n TYR 1055Ca 0.00 -3.91 -0.38 0.00 -0.01 0.00 0.00 57.90 53.60 3gkl n TYR 1055Cb 0.00 -0.46 -0.02 0.00 -0.02 0.00 0.00 39.34 38.84 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 -2.78 4.04 0.78 -0.72 0.04 -1.01 -4.58 135.00 130.76 3gkl s PRO 1056Ca 0.43 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 3gkl s PRO 1056Cb 0.28 -2.64 0.07 0.00 0.04 0.00 0.00 34.50 32.25 3gkl s PRO 1056CO -0.10 -0.32 1.13 -1.21 0.04 0.00 0.00 177.00 176.54 3gkl s GLU 1057N -2.35 2.08 -0.29 4.56 2.02 -1.26 -4.87 118.70 118.58 3gkl s GLU 1057Ca 0.58 0.04 -0.29 0.00 0.02 0.00 0.00 54.97 55.33 3gkl s GLU 1057Cb -0.30 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 3gkl s GLU 1057CO 0.37 -1.47 1.78 -2.00 0.02 0.00 0.00 175.26 173.95 3gkl s GLU 1058N -5.48 3.45 0.00 1.61 2.56 -1.26 -2.52 118.70 117.06 3gkl s GLU 1058Ca 0.61 1.53 0.00 0.00 0.00 0.00 0.00 54.97 57.11 3gkl s GLU 1058Cb -0.11 -4.17 0.00 0.00 2.00 0.00 0.00 34.13 31.85 3gkl s GLU 1058CO 0.48 -1.72 0.00 0.41 -0.56 0.00 0.00 175.26 173.88 3gkl n GLY 1059N 5.25 0.65 2.99 -1.50 0.00 -1.26 -5.07 105.19 106.24 3gkl n GLY 1059Ca 0.22 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.65 1.79 -0.24 1.61 -0.00 -1.05 -5.06 116.67 111.07 3gkl s ASP 1060Ca 0.00 -0.28 -0.29 0.00 -0.00 0.00 0.00 52.55 51.98 3gkl s ASP 1060Cb 0.00 -0.79 -0.00 0.00 -0.00 0.00 0.00 42.92 42.12 3gkl s ASP 1060CO 0.00 -0.01 1.23 -0.62 -0.00 0.00 0.00 175.17 175.77 3gkl s ASP 1061N 0.92 6.86 -0.21 0.27 -1.08 -1.26 -4.82 116.67 117.35 3gkl s ASP 1061Ca -0.10 1.40 0.15 0.00 -0.52 0.00 0.00 52.55 53.48 3gkl s ASP 1061Cb -0.15 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.51 3gkl s ASP 1061CO 0.01 -0.88 1.65 -0.90 0.52 0.00 0.00 175.17 175.57 3gkl n ASP 1062N 6.98 5.16 -4.30 -0.34 3.85 -1.26 -3.72 116.55 122.91 3gkl n ASP 1062Ca 0.14 -2.88 -0.29 0.00 -0.71 0.00 0.00 54.79 51.04 3gkl n ASP 1062Cb 0.46 -0.63 0.18 0.00 -1.35 0.00 0.00 41.12 39.78 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 -1.08 2.55 0.09 -1.12 1.04 -1.26 -4.79 113.70 109.12 3gkl s SER 1063Ca 0.51 0.68 -0.26 0.00 0.48 0.00 0.00 55.95 57.36 3gkl s SER 1063Cb 0.39 -1.02 -0.15 0.00 0.10 0.00 0.00 66.02 65.34 3gkl s SER 1063CO 0.15 -3.12 1.70 -0.65 0.98 0.00 0.00 173.24 172.30 3gkl h PRO 1064N -1.90 -0.30 -0.54 4.02 0.11 -1.92 -0.26 132.00 131.22 3gkl h PRO 1064Ca -0.47 0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.80 3gkl h PRO 1064Cb 1.29 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.45 3gkl h PRO 1064CO 0.47 -0.20 0.38 0.77 -0.21 0.00 0.00 178.00 179.21 3gkl h SER 1065N -0.31 0.09 0.58 -2.05 0.02 -1.93 -0.52 113.55 109.42 3gkl h SER 1065Ca -0.02 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3gkl h SER 1065Cb 0.26 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3gkl h SER 1065CO 0.02 0.05 -0.61 1.23 -1.14 0.00 0.00 176.83 176.38 3gkl h GLY 1066N 0.09 0.04 0.06 -3.77 0.00 -1.26 -0.26 103.07 97.97 3gkl h GLY 1066Ca 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3gkl h GLY 1066CO -0.02 0.04 -0.03 -2.22 0.00 0.00 0.00 176.54 174.31 3gkl h ILE 1067N 0.03 0.00 -0.17 2.60 2.04 -0.20 -2.45 117.51 119.36 3gkl h ILE 1067Ca -0.01 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.01 3gkl h ILE 1067Cb 1.09 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3gkl h ILE 1067CO 0.08 0.00 -0.10 0.52 0.00 0.00 0.00 178.15 178.65 3gkl n VAL 1068N -4.63 -0.11 -0.22 1.67 0.31 -0.48 0.15 118.33 115.01 3gkl n VAL 1068Ca -0.01 1.39 -0.01 0.00 -0.01 0.00 0.00 64.34 65.70 3gkl n VAL 1068Cb 0.03 -1.82 0.01 0.00 -0.91 0.00 0.00 33.84 31.16 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 -3.27 -0.40 0.19 4.52 2.85 -0.11 -0.17 115.26 118.86 3gkl n ASN 1069Ca 0.00 0.99 0.04 0.00 -0.11 0.00 0.00 54.58 55.50 3gkl n ASN 1069Cb 0.04 -0.21 0.44 0.00 1.24 0.00 0.00 39.78 41.29 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 1.18 -0.08 -0.44 1.35 0.18 -0.73 112.91 114.37 3gkl h THR 1070Ca 0.18 -0.83 -0.03 0.00 -0.55 0.00 0.00 66.41 65.18 3gkl h THR 1070Cb 0.32 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3gkl h THR 1070CO -0.56 0.24 -0.05 0.58 -0.25 0.00 0.00 175.52 175.48 3gkl h VAL 1071N 0.05 1.34 -0.23 6.82 2.07 0.66 -1.78 116.25 125.18 3gkl h VAL 1071Ca 0.01 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3gkl h VAL 1071Cb 0.42 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3gkl h VAL 1071CO 0.03 0.31 -0.06 0.50 0.02 0.00 0.00 177.57 178.37 3gkl h LYS 1072N -0.21 0.35 -0.05 1.57 3.64 -0.57 0.49 116.57 121.79 3gkl h LYS 1072Ca 0.02 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.13 3gkl h LYS 1072Cb 0.52 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3gkl h LYS 1072CO 0.01 0.43 -0.80 1.96 -2.27 0.00 0.00 179.45 178.78 3gkl h GLN 1073N 0.34 0.39 0.17 1.90 1.08 -0.97 -3.08 115.11 114.94 3gkl h GLN 1073Ca 0.07 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 3gkl h GLN 1073Cb 0.33 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3gkl h GLN 1073CO 0.01 1.01 -0.08 2.35 -0.95 0.00 0.00 178.83 181.17 3gkl h TRP 1074N 0.25 -0.21 -0.18 2.96 7.01 -0.86 -2.93 115.95 121.99 3gkl h TRP 1074Ca -0.05 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.00 3gkl h TRP 1074Cb 1.40 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 28.52 3gkl h TRP 1074CO 0.05 0.18 0.36 0.00 -2.79 0.00 0.00 178.44 176.24 3gkl h ARG 1075N -0.68 0.00 0.10 2.65 3.08 -0.11 -2.18 114.38 117.24 3gkl h ARG 1075Ca -0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.71 3gkl h ARG 1075Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3gkl h ARG 1075CO 0.04 0.00 -1.66 0.00 -1.07 0.00 0.00 179.97 177.28 3gkl h ALA 1076N 1.45 0.31 0.00 0.04 0.00 -1.46 0.15 119.26 119.74 3gkl h ALA 1076Ca 0.08 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.74 3gkl h ALA 1076Cb 0.80 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3gkl h ALA 1076CO -0.00 1.03 0.00 0.00 0.00 0.00 0.00 179.25 180.28 3gkl n ALA 1077N -3.07 1.95 -2.23 0.00 0.00 -0.84 -2.86 120.51 113.46 3gkl n ALA 1077Ca -0.30 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.08 3gkl n ALA 1077Cb 0.93 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.24 2.71 -4.51 0.00 3.02 -1.06 -4.99 115.26 110.19 3gkl n ASN 1078Ca 0.00 -3.03 -0.19 0.00 -0.03 0.00 0.00 54.58 51.33 3gkl n ASN 1078Cb 0.05 -0.41 -0.17 0.00 -0.61 0.00 0.00 39.78 38.63 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 -0.57 -0.38 3.99 7.41 0.00 -1.13 -4.93 105.19 109.57 3gkl n GLY 1079Ca 0.23 0.10 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 3gkl n GLY 1079CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkl s LYS 1080N 7.64 1.44 0.53 1.61 -0.14 0.52 -4.99 119.74 126.35 3gkl s LYS 1080Ca 1.17 -1.12 -0.21 0.00 -1.36 0.00 0.00 55.97 54.45 3gkl s LYS 1080Cb -0.59 -2.27 -0.05 0.00 -1.68 0.00 0.00 37.83 33.23 3gkl s LYS 1080CO 0.40 -1.64 1.26 -1.54 -0.76 0.00 0.00 175.35 173.06 3gkl s SER 1081N -4.80 5.51 0.00 2.83 1.04 -1.26 -4.69 113.70 112.33 3gkl s SER 1081Ca 0.68 2.52 0.00 0.00 0.48 0.00 0.00 55.95 59.63 3gkl s SER 1081Cb -0.04 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.46 3gkl s SER 1081CO 0.46 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3gkl n GLY 1082N 0.58 4.02 3.84 7.32 0.00 -1.26 -4.83 105.19 114.87 3gkl n GLY 1082Ca 0.10 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 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 1.45 3.35 0.47 1.61 0.40 -1.26 -3.87 117.98 120.13 3gkl s PHE 1083Ca 0.00 1.38 -0.24 0.00 -0.60 0.00 0.00 56.93 57.48 3gkl s PHE 1083Cb 0.00 -2.82 -0.07 0.00 0.51 0.00 0.00 43.02 40.64 3gkl s PHE 1083CO 0.00 -0.88 1.32 0.21 0.70 0.00 0.00 175.22 176.56 3gkl s LYS 1084N -4.86 3.58 0.00 0.44 2.20 0.27 -4.93 119.74 116.44 3gkl s LYS 1084Ca 0.58 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.34 3gkl s LYS 1084Cb -0.12 -2.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 3gkl s LYS 1084CO 0.49 -0.81 0.00 1.04 -0.36 0.00 0.00 175.35 175.72