#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1z h ALA 1005N 0.00 1.64 -0.01 3.52 0.00 -1.96 -1.37 119.26 121.09 1d1z h ALA 1005Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1d1z h ALA 1005Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1d1z h ALA 1005CO 0.00 0.19 -0.01 1.33 0.00 0.00 0.00 179.25 180.76 1d1z n VAL 1006N -4.20 0.00 -2.92 0.00 0.24 -1.26 -4.43 118.33 105.75 1d1z n VAL 1006Ca -0.02 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.34 61.78 1d1z n VAL 1006Cb 0.23 -0.15 -0.04 0.00 -1.47 0.00 0.00 33.84 32.40 1d1z n VAL 1006CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1d1z s TYR 1007N -2.03 3.46 -0.34 6.34 5.04 -0.52 -0.93 117.35 128.37 1d1z s TYR 1007Ca 0.44 1.26 0.01 0.00 -2.44 0.00 0.00 57.07 56.34 1d1z s TYR 1007Cb 0.22 -2.97 0.10 0.00 0.35 0.00 0.00 41.96 39.66 1d1z s TYR 1007CO 0.36 -0.16 0.10 -1.01 -1.34 0.00 0.00 175.55 173.51 1d1z s HIS 1008N 1.80 2.54 0.68 4.97 3.76 -0.32 -4.94 115.29 123.78 1d1z s HIS 1008Ca 0.38 -2.33 -0.10 0.00 -0.15 0.00 0.00 55.06 52.86 1d1z s HIS 1008Cb -0.17 -2.22 0.01 0.00 1.11 0.00 0.00 32.58 31.31 1d1z s HIS 1008CO 0.14 -0.89 1.06 0.20 -0.85 0.00 0.00 174.74 174.40 1d1z s GLY 1009N 1.15 1.62 -1.86 -2.22 0.00 -1.26 -4.24 107.32 100.51 1d1z s GLY 1009Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1d1z s GLY 1009CO -0.15 -0.03 0.00 0.28 0.00 0.00 0.00 173.10 173.19 1d1z n LYS 1010N -2.92 -1.59 -4.76 2.90 4.76 -1.26 -4.97 118.16 110.33 1d1z n LYS 1010Ca 0.06 1.04 -0.29 0.00 -2.87 0.00 0.00 58.31 56.26 1d1z n LYS 1010Cb 0.57 -5.53 -0.14 0.00 -1.84 0.00 0.00 35.03 28.08 1d1z n LYS 1010CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1d1z s ILE 1011N -2.78 2.08 0.85 -0.18 -4.36 -1.26 -5.14 121.20 110.41 1d1z s ILE 1011Ca 0.00 -1.44 -0.12 0.00 -0.26 0.00 0.00 60.65 58.84 1d1z s ILE 1011Cb 0.00 -1.80 0.10 0.00 1.25 0.00 0.00 42.46 42.01 1d1z s ILE 1011CO 0.00 0.28 1.13 -0.94 0.24 0.00 0.00 174.94 175.65 1d1z s SER 1012N -1.40 4.09 0.18 4.36 1.04 -1.26 -4.60 113.70 116.10 1d1z s SER 1012Ca 0.11 1.01 -0.14 0.00 0.48 0.00 0.00 55.95 57.42 1d1z s SER 1012Cb -0.10 -1.63 0.15 0.00 0.10 0.00 0.00 66.02 64.55 1d1z s SER 1012CO 0.03 -2.19 1.73 -0.09 0.98 0.00 0.00 173.24 173.69 1d1z h ARG 1013N -1.25 0.24 -0.41 4.02 2.43 -1.99 -0.64 114.38 116.78 1d1z h ARG 1013Ca -0.48 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1d1z h ARG 1013Cb 1.31 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1d1z h ARG 1013CO 0.62 0.16 0.21 1.49 -1.51 0.00 0.00 179.97 180.94 1d1z h GLU 1014N 0.25 0.41 -0.16 0.20 4.81 -1.99 0.14 114.58 118.24 1d1z h GLU 1014Ca 0.22 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1d1z h GLU 1014Cb 0.27 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1d1z h GLU 1014CO -0.28 0.27 0.04 1.15 -0.73 0.00 0.00 179.01 179.47 1d1z h THR 1015N 0.43 1.20 -0.62 0.32 2.02 -1.88 -0.94 112.91 113.43 1d1z h THR 1015Ca 0.17 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1d1z h THR 1015Cb 0.07 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1d1z h THR 1015CO -0.11 0.19 0.16 1.23 0.37 0.00 0.00 175.52 177.36 1d1z h GLY 1016N 0.07 1.04 1.22 2.16 0.00 -0.80 -1.44 103.07 105.32 1d1z h GLY 1016Ca 0.05 -0.61 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 1d1z h GLY 1016CO 0.00 0.57 -0.32 0.83 0.00 0.00 0.00 176.54 177.62 1d1z h GLU 1017N 0.93 0.87 -0.69 4.80 5.08 -0.63 -1.56 114.58 123.38 1d1z h GLU 1017Ca 0.20 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1d1z h GLU 1017Cb 0.31 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1d1z h GLU 1017CO -0.00 1.06 0.26 0.87 -1.00 0.00 0.00 179.01 180.20 1d1z h LYS 1018N 0.73 1.03 -0.19 2.33 1.57 -0.89 0.12 116.57 121.26 1d1z h LYS 1018Ca 0.07 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1d1z h LYS 1018Cb 0.89 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1d1z h LYS 1018CO 0.08 0.84 0.08 1.25 -0.57 0.00 0.00 179.45 181.14 1d1z h LEU 1019N 1.00 0.26 -0.36 2.94 5.85 -1.04 -1.36 115.31 122.61 1d1z h LEU 1019Ca 0.23 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1d1z h LEU 1019Cb 0.21 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1d1z h LEU 1019CO -0.02 0.35 0.21 -0.07 -0.34 0.00 0.00 178.44 178.57 1d1z h LEU 1020N 0.16 0.35 -1.71 2.25 3.38 -0.94 -2.21 115.31 116.59 1d1z h LEU 1020Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1d1z h LEU 1020Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1d1z h LEU 1020CO -0.01 0.25 0.07 -0.07 0.09 0.00 0.00 178.44 178.78 1d1z h LEU 1021N 0.44 0.23 -1.43 1.67 3.38 -0.85 -1.52 115.31 117.23 1d1z h LEU 1021Ca 0.14 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1d1z h LEU 1021Cb -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1d1z h LEU 1021CO -0.06 0.22 -0.08 0.00 0.09 0.00 0.00 178.44 178.60 1d1z h ALA 1022N 1.82 1.54 -0.04 1.53 0.00 -0.61 -2.04 119.26 121.46 1d1z h ALA 1022Ca 0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1d1z h ALA 1022Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1d1z h ALA 1022CO -0.01 0.33 -0.27 1.79 0.00 0.00 0.00 179.25 181.09 1d1z h THR 1023N 0.26 1.22 -1.45 0.00 1.35 -1.09 -3.46 112.91 109.74 1d1z h THR 1023Ca 0.06 -1.02 -0.38 0.00 -0.55 0.00 0.00 66.41 64.52 1d1z h THR 1023Cb 0.32 1.49 -0.11 0.00 -1.73 0.00 0.00 68.15 68.12 1d1z h THR 1023CO 0.02 0.30 -0.39 0.61 -0.25 0.00 0.00 175.52 175.80 1d1z n GLY 1024N -0.68 1.13 3.22 5.82 0.00 -0.77 -4.97 105.19 108.95 1d1z n GLY 1024Ca -0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1d1z n GLY 1024CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d1z s LEU 1025N -4.62 2.27 0.17 0.99 1.43 -1.26 -5.05 118.68 112.61 1d1z s LEU 1025Ca 0.00 -0.53 -0.32 0.00 -1.03 0.00 0.00 54.13 52.25 1d1z s LEU 1025Cb 0.00 -1.49 -0.11 0.00 0.03 0.00 0.00 46.19 44.63 1d1z s LEU 1025CO 0.00 0.10 1.65 -1.81 0.23 0.00 0.00 176.35 176.52 1d1z s ASP 1026N 0.70 6.50 0.00 2.29 1.01 -1.26 -1.66 116.67 124.24 1d1z s ASP 1026Ca -0.09 2.70 0.00 0.00 0.71 0.00 0.00 52.55 55.88 1d1z s ASP 1026Cb -0.16 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1d1z s ASP 1026CO 0.01 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.11 1d1z n GLY 1027N 3.88 0.74 3.77 0.21 0.00 0.28 -4.80 105.19 109.26 1d1z n GLY 1027Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1d1z n GLY 1027CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1z s SER 1028N -2.81 6.16 0.11 1.61 0.01 -0.67 -1.05 113.70 117.06 1d1z s SER 1028Ca 0.00 2.72 -0.15 0.00 1.31 0.00 0.00 55.95 59.83 1d1z s SER 1028Cb 0.00 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.62 1d1z s SER 1028CO 0.00 -0.96 0.36 -0.72 0.41 0.00 0.00 173.24 172.33 1d1z s TYR 1029N -1.25 -0.14 0.22 2.43 -0.85 -0.77 -1.25 117.35 115.73 1d1z s TYR 1029Ca 0.59 -0.18 -0.11 0.00 -0.52 0.00 0.00 57.07 56.85 1d1z s TYR 1029Cb -0.39 0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.13 1d1z s TYR 1029CO 0.50 -0.66 0.40 -0.48 -1.52 0.00 0.00 175.55 173.79 1d1z s LEU 1030N -2.75 0.54 -0.11 -3.49 0.05 -0.55 -1.23 118.68 111.14 1d1z s LEU 1030Ca 0.03 -0.95 0.03 0.00 0.05 0.00 0.00 54.13 53.28 1d1z s LEU 1030Cb 0.02 1.49 -0.01 0.00 -2.05 0.00 0.00 46.19 45.65 1d1z s LEU 1030CO -0.11 -1.05 -0.20 -0.22 -0.55 0.00 0.00 176.35 174.23 1d1z s LEU 1031N -3.02 2.35 0.25 1.48 2.96 -0.11 -0.69 118.68 121.91 1d1z s LEU 1031Ca 0.23 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1d1z s LEU 1031Cb 0.01 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 1d1z s LEU 1031CO 0.07 0.18 0.05 0.00 -1.32 0.00 0.00 176.35 175.33 1d1z s ARG 1032N 0.25 1.40 0.24 1.98 1.70 -0.37 -1.17 118.95 122.98 1d1z s ARG 1032Ca -0.13 -1.75 -0.30 0.00 -0.47 0.00 0.00 55.73 53.08 1d1z s ARG 1032Cb -0.17 -0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 33.66 1d1z s ARG 1032CO 0.07 -0.21 1.30 -0.51 -1.08 0.00 0.00 175.30 174.87 1d1z s ASP 1033N -3.33 6.88 0.21 -2.89 -0.00 -1.26 -0.42 116.67 115.87 1d1z s ASP 1033Ca 0.34 2.48 -0.30 0.00 -0.00 0.00 0.00 52.55 55.06 1d1z s ASP 1033Cb 0.07 -2.62 -0.09 0.00 -0.00 0.00 0.00 42.92 40.28 1d1z s ASP 1033CO 0.12 -0.51 1.40 -0.55 -0.00 0.00 0.00 175.17 175.63 1d1z s SER 1034N 0.06 6.75 0.00 0.27 0.15 -0.06 -4.70 113.70 116.16 1d1z s SER 1034Ca 0.54 2.53 0.26 0.00 0.70 0.00 0.00 55.95 59.98 1d1z s SER 1034Cb -0.37 -2.61 0.66 0.00 -1.71 0.00 0.00 66.02 61.99 1d1z s SER 1034CO 0.42 -0.64 1.51 -0.62 1.20 0.00 0.00 173.24 175.11 1d1z n GLU 1035N 2.75 0.28 -0.05 5.44 1.02 -1.26 -4.18 120.64 124.64 1d1z n GLU 1035Ca 0.08 -0.16 -0.16 0.00 -0.02 0.00 0.00 57.16 56.91 1d1z n GLU 1035Cb 0.41 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 1d1z n GLU 1035CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1d1z n SER 1036N -1.22 1.43 -3.74 1.62 7.64 -1.26 -4.86 113.62 113.22 1d1z n SER 1036Ca 0.08 0.14 -0.28 0.00 1.01 0.00 0.00 58.87 59.82 1d1z n SER 1036Cb 0.34 -0.25 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 1d1z n SER 1036CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1d1z s VAL 1037N -2.55 0.67 0.20 0.44 1.01 -1.26 -5.11 120.40 113.80 1d1z s VAL 1037Ca -0.19 -0.81 -0.32 0.00 0.00 0.00 0.00 61.98 60.65 1d1z s VAL 1037Cb 0.07 -1.24 -0.14 0.00 0.00 0.00 0.00 36.38 35.07 1d1z s VAL 1037CO 0.75 -0.33 1.40 -2.65 0.00 0.00 0.00 175.10 174.28 1d1z n PRO 1038N 4.98 1.86 0.00 2.72 -0.02 -1.26 -2.10 135.00 141.18 1d1z n PRO 1038Ca -0.08 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1d1z n PRO 1038Cb 0.45 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1d1z n PRO 1038CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d1z n GLY 1039N 2.42 0.53 3.87 -1.23 0.00 -1.26 -5.05 105.19 104.46 1d1z n GLY 1039Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1d1z n GLY 1039CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1z s VAL 1040N -2.16 4.75 0.31 1.61 1.01 -0.89 -4.71 120.40 120.31 1d1z s VAL 1040Ca 0.00 -1.18 0.11 0.00 0.00 0.00 0.00 61.98 60.91 1d1z s VAL 1040Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1d1z s VAL 1040CO 0.00 -0.28 -0.15 -0.31 0.00 0.00 0.00 175.10 174.36 1d1z s TYR 1041N -2.00 2.35 -0.17 5.22 1.51 0.32 -0.89 117.35 123.70 1d1z s TYR 1041Ca 0.33 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1d1z s TYR 1041Cb -0.09 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1d1z s TYR 1041CO 0.26 0.66 -0.18 0.00 -1.11 0.00 0.00 175.55 175.18 1d1z s LEU 1043N 1.33 4.12 -0.15 0.00 2.96 0.40 -1.24 118.68 126.10 1d1z s LEU 1043Ca 0.04 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1d1z s LEU 1043Cb -0.13 -2.91 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 1d1z s LEU 1043CO -0.11 -0.51 -0.17 0.00 -1.32 0.00 0.00 176.35 174.24 1d1z s VAL 1045N 0.75 1.21 -0.04 0.00 1.01 -0.28 -1.48 120.40 121.57 1d1z s VAL 1045Ca -0.07 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 1d1z s VAL 1045Cb -0.16 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1d1z s VAL 1045CO 0.01 0.36 0.59 -0.22 0.00 0.00 0.00 175.10 175.83 1d1z s LEU 1046N 0.30 4.37 -0.15 3.92 2.96 -0.38 -0.25 118.68 129.44 1d1z s LEU 1046Ca -0.08 1.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.87 1d1z s LEU 1046Cb -0.13 -2.90 0.07 0.00 0.50 0.00 0.00 46.19 43.74 1d1z s LEU 1046CO 0.03 0.04 0.32 -0.47 -1.32 0.00 0.00 176.35 174.95 1d1z s TYR 1047N 0.16 -0.56 -1.46 5.38 6.14 -0.07 -0.56 117.35 126.39 1d1z s TYR 1047Ca 0.31 1.17 -0.05 0.00 0.64 0.00 0.00 57.07 59.14 1d1z s TYR 1047Cb -0.17 0.09 0.04 0.00 0.42 0.00 0.00 41.96 42.34 1d1z s TYR 1047CO 0.16 -0.40 0.63 0.72 0.64 0.00 0.00 175.55 177.30 1d1z n HIS 1048N 5.34 -1.83 -0.88 4.97 8.25 -1.26 -1.72 115.22 128.08 1d1z n HIS 1048Ca -0.07 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 1d1z n HIS 1048Cb 0.50 -3.79 0.00 0.00 1.12 0.00 0.00 29.99 27.82 1d1z n HIS 1048CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d1z n GLY 1049N -1.75 0.86 3.32 -1.41 0.00 -1.26 -5.02 105.19 99.93 1d1z n GLY 1049Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1d1z n GLY 1049CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d1z s TYR 1050N -3.38 1.81 -0.17 1.61 1.51 -0.70 -5.07 117.35 112.96 1d1z s TYR 1050Ca 0.00 -0.46 -0.12 0.00 -1.01 0.00 0.00 57.07 55.48 1d1z s TYR 1050Cb 0.00 -0.92 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 1d1z s TYR 1050CO 0.00 0.31 0.22 0.42 -1.11 0.00 0.00 175.55 175.39 1d1z s ILE 1051N -1.91 5.36 -0.17 2.71 -1.09 -1.26 -0.89 121.20 123.94 1d1z s ILE 1051Ca 0.14 0.38 -0.04 0.00 -2.23 0.00 0.00 60.65 58.90 1d1z s ILE 1051Cb -0.06 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1d1z s ILE 1051CO 0.06 0.43 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.88 1d1z s TYR 1052N 0.28 3.06 -0.12 3.97 1.51 0.66 -4.94 117.35 121.76 1d1z s TYR 1052Ca 0.13 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1d1z s TYR 1052Cb -0.12 -2.01 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 1d1z s TYR 1052CO 0.02 -0.07 -0.22 0.99 -1.11 0.00 0.00 175.55 175.16 1d1z s THR 1053N 0.53 2.21 -0.09 -0.71 2.01 -1.26 -1.13 115.64 117.20 1d1z s THR 1053Ca -0.02 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.07 1d1z s THR 1053Cb -0.14 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1d1z s THR 1053CO 0.02 0.55 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.99 1d1z s TYR 1054N 0.52 2.19 0.24 4.92 1.51 0.03 -4.95 117.35 121.81 1d1z s TYR 1054Ca -0.14 -0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 54.75 1d1z s TYR 1054Cb -0.17 -1.50 -0.09 0.00 -0.11 0.00 0.00 41.96 40.10 1d1z s TYR 1054CO 0.05 -0.37 1.15 1.03 -1.11 0.00 0.00 175.55 176.30 1d1z s ARG 1055N 0.44 4.56 -0.10 -0.62 1.81 -1.26 -0.45 118.95 123.33 1d1z s ARG 1055Ca -0.17 1.85 0.02 0.00 -1.72 0.00 0.00 55.73 55.70 1d1z s ARG 1055Cb -0.17 -3.21 0.01 0.00 -0.45 0.00 0.00 34.95 31.13 1d1z s ARG 1055CO 0.07 0.06 -0.16 0.08 -0.68 0.00 0.00 175.30 174.68 1d1z s VAL 1056N -0.65 1.50 0.09 3.52 1.01 0.50 -0.91 120.40 125.46 1d1z s VAL 1056Ca 0.48 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1d1z s VAL 1056Cb -0.32 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1d1z s VAL 1056CO 0.40 0.44 0.04 -0.94 0.00 0.00 0.00 175.10 175.04 1d1z s SER 1057N 0.86 0.36 -0.11 3.32 1.04 -0.63 -0.52 113.70 118.01 1d1z s SER 1057Ca -0.09 -1.04 -0.03 0.00 0.48 0.00 0.00 55.95 55.27 1d1z s SER 1057Cb -0.15 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1d1z s SER 1057CO 0.00 -0.68 0.01 -1.58 0.98 0.00 0.00 173.24 171.97 1d1z s GLN 1058N -3.96 3.27 0.90 4.02 0.74 -1.26 -1.77 119.66 121.59 1d1z s GLN 1058Ca 0.14 -0.41 -0.13 0.00 0.05 0.00 0.00 55.36 55.01 1d1z s GLN 1058Cb 0.07 -2.89 0.18 0.00 1.10 0.00 0.00 33.01 31.47 1d1z s GLN 1058CO -0.05 0.56 1.25 0.95 -0.55 0.00 0.00 175.29 177.45 1d1z s THR 1059N -0.48 2.03 0.52 -0.34 -4.23 0.11 -4.93 115.64 108.32 1d1z s THR 1059Ca 0.09 -0.12 0.40 0.00 -1.18 0.00 0.00 61.69 60.88 1d1z s THR 1059Cb -0.12 -2.92 0.42 0.00 1.34 0.00 0.00 72.50 71.22 1d1z s THR 1059CO 0.02 0.00 2.26 1.05 -0.54 0.00 0.00 174.62 177.41 1d1z h GLU 1060N -1.38 0.00 -0.07 3.99 9.09 -2.00 -1.42 114.58 122.79 1d1z h GLU 1060Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 1d1z h GLU 1060Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1d1z h GLU 1060CO 0.41 0.01 0.00 -2.37 0.05 0.00 0.00 179.01 177.11 1d1z n THR 1061N -3.17 0.07 0.00 -1.06 5.66 -1.26 -4.93 114.28 109.59 1d1z n THR 1061Ca -0.02 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 1d1z n THR 1061Cb 0.14 0.92 0.00 0.00 -1.55 0.00 0.00 70.33 69.84 1d1z n THR 1061CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1d1z n GLY 1062N 1.27 0.50 3.81 1.09 0.00 -0.53 -5.07 105.19 106.26 1d1z n GLY 1062Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1d1z n GLY 1062CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d1z s SER 1063N -2.00 4.95 0.01 1.61 1.04 -1.26 -4.71 113.70 113.34 1d1z s SER 1063Ca 0.00 1.45 0.07 0.00 0.48 0.00 0.00 55.95 57.95 1d1z s SER 1063Cb 0.00 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 1d1z s SER 1063CO 0.00 -1.70 -0.21 0.26 0.98 0.00 0.00 173.24 172.57 1d1z s TRP 1064N -3.11 1.84 0.15 5.02 0.52 0.15 0.09 118.94 123.60 1d1z s TRP 1064Ca 0.59 -0.36 -0.14 0.00 0.02 0.00 0.00 56.10 56.21 1d1z s TRP 1064Cb -0.14 -1.14 0.02 0.00 -1.15 0.00 0.00 33.47 31.05 1d1z s TRP 1064CO 0.55 0.03 0.38 -1.54 0.02 0.00 0.00 176.95 176.38 1d1z s SER 1065N -0.81 -0.14 -0.02 2.95 1.04 -0.73 -1.03 113.70 114.97 1d1z s SER 1065Ca 0.08 -0.51 0.05 0.00 0.48 0.00 0.00 55.95 56.05 1d1z s SER 1065Cb -0.08 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 1d1z s SER 1065CO 0.00 -0.89 -0.16 0.00 0.98 0.00 0.00 173.24 173.17 1d1z s ALA 1066N -3.86 2.60 -0.25 5.32 0.00 -1.26 -1.60 121.76 122.70 1d1z s ALA 1066Ca 0.08 -1.06 -0.25 0.00 0.00 0.00 0.00 51.96 50.73 1d1z s ALA 1066Cb 0.02 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 1d1z s ALA 1066CO -0.07 0.56 0.85 -1.21 0.00 0.00 0.00 175.76 175.89 1d1z s GLU 1067N -0.94 4.16 0.00 0.00 0.41 -0.09 -4.82 118.70 117.43 1d1z s GLU 1067Ca 0.12 0.95 0.00 0.00 -0.41 0.00 0.00 54.97 55.63 1d1z s GLU 1067Cb -0.11 -3.66 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1d1z s GLU 1067CO 0.02 -0.55 0.00 0.25 -0.49 0.00 0.00 175.26 174.48 1d1z n THR 1068N 5.31 0.00 -1.76 3.63 -2.24 -1.26 -4.16 114.28 113.80 1d1z n THR 1068Ca 0.06 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 1d1z n THR 1068Cb 0.47 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1d1z n THR 1068CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d1z n ALA 1069N -3.00 1.94 -1.01 6.98 0.00 -0.88 -4.95 120.51 119.59 1d1z n ALA 1069Ca 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 1d1z n ALA 1069Cb 0.00 -2.38 0.14 0.00 0.00 0.00 0.00 19.45 17.20 1d1z n ALA 1069CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1d1z s PRO 1070N -2.52 1.47 0.00 0.00 0.02 -1.26 -2.57 135.00 130.13 1d1z s PRO 1070Ca 0.63 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1d1z s PRO 1070Cb -0.44 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1d1z s PRO 1070CO 0.56 -2.34 0.00 0.41 -0.33 0.00 0.00 177.00 175.30 1d1z n GLY 1071N 0.48 2.94 3.72 0.52 0.00 -1.26 -4.98 105.19 106.60 1d1z n GLY 1071Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1d1z n GLY 1071CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1z s VAL 1072N -2.74 4.94 0.11 1.61 1.01 -1.06 -4.99 120.40 119.28 1d1z s VAL 1072Ca 0.00 1.73 -0.31 0.00 0.00 0.00 0.00 61.98 63.40 1d1z s VAL 1072Cb 0.00 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 1d1z s VAL 1072CO 0.00 0.22 1.83 -2.28 0.00 0.00 0.00 175.10 174.87 1d1z s HIS 1073N 0.83 2.08 -0.09 5.22 5.65 -1.26 -4.92 115.29 122.80 1d1z s HIS 1073Ca 0.44 -0.04 -0.29 0.00 0.25 0.00 0.00 55.06 55.42 1d1z s HIS 1073Cb -0.19 -4.17 -0.02 0.00 -1.18 0.00 0.00 32.58 27.02 1d1z s HIS 1073CO 0.23 -4.87 0.96 0.21 -0.65 0.00 0.00 174.74 170.61 1d1z s LYS 1074N 2.89 4.43 -0.10 2.88 2.20 -1.26 -5.01 119.74 125.77 1d1z s LYS 1074Ca 0.81 1.32 -0.10 0.00 -0.36 0.00 0.00 55.97 57.64 1d1z s LYS 1074Cb -0.45 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.30 1d1z s LYS 1074CO 0.37 -0.24 0.23 1.03 -0.36 0.00 0.00 175.35 176.37 1d1z s ARG 1075N 1.75 3.71 0.01 4.03 0.52 -1.26 -5.09 118.95 122.62 1d1z s ARG 1075Ca 0.47 0.03 0.04 0.00 -0.52 0.00 0.00 55.73 55.75 1d1z s ARG 1075Cb -0.19 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 1d1z s ARG 1075CO 0.19 0.66 -0.10 0.71 0.02 0.00 0.00 175.30 176.78 1d1z s TYR 1076N -0.77 2.79 0.04 -0.53 2.02 -1.26 -4.37 117.35 115.27 1d1z s TYR 1076Ca 0.17 -0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.82 1d1z s TYR 1076Cb -0.13 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 1d1z s TYR 1076CO 0.06 0.33 -0.15 -0.06 -1.57 0.00 0.00 175.55 174.16 1d1z s PHE 1077N -0.96 1.31 0.34 2.71 0.40 -0.20 -4.94 117.98 116.65 1d1z s PHE 1077Ca 0.16 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1d1z s PHE 1077Cb -0.11 -0.78 0.62 0.00 0.51 0.00 0.00 43.02 43.27 1d1z s PHE 1077CO 0.06 0.04 1.87 0.00 0.70 0.00 0.00 175.22 177.90 1d1z h ARG 1078N 4.91 0.48 -4.61 0.44 3.08 -1.89 0.45 114.38 117.23 1d1z h ARG 1078Ca -0.39 -0.11 -0.39 0.00 0.07 0.00 0.00 59.98 59.16 1d1z h ARG 1078Cb 1.18 -0.07 -0.29 0.00 0.08 0.00 0.00 29.97 30.87 1d1z h ARG 1078CO 0.44 0.53 -0.78 0.15 -1.07 0.00 0.00 179.97 179.24 1d1z s LYS 1079N -4.91 0.75 0.39 0.04 -0.14 -1.26 -4.62 119.74 109.98 1d1z s LYS 1079Ca -0.07 -0.29 0.08 0.00 -1.36 0.00 0.00 55.97 54.32 1d1z s LYS 1079Cb 0.15 -0.72 0.78 0.00 -1.68 0.00 0.00 37.83 36.37 1d1z s LYS 1079CO 0.76 0.15 1.96 0.97 -0.76 0.00 0.00 175.35 178.43 1d1z h ILE 1080N 5.10 1.15 0.00 2.17 6.09 -1.93 -0.29 117.51 129.80 1d1z h ILE 1080Ca -0.31 -0.56 -0.02 0.00 -1.37 0.00 0.00 64.86 62.60 1d1z h ILE 1080Cb 1.18 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 39.38 1d1z h ILE 1080CO 0.49 0.19 -0.08 0.07 -3.07 0.00 0.00 178.15 175.76 1d1z h LYS 1081N 0.39 0.00 0.03 2.19 2.10 -2.00 -1.09 116.57 118.19 1d1z h LYS 1081Ca 0.09 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.50 1d1z h LYS 1081Cb 0.21 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 1d1z h LYS 1081CO 0.00 0.08 -1.17 -0.91 -2.00 0.00 0.00 179.45 175.45 1d1z h ASN 1082N 0.00 0.09 0.07 7.07 2.35 -1.50 -1.45 115.58 122.21 1d1z h ASN 1082Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1d1z h ASN 1082Cb 0.15 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1d1z h ASN 1082CO 0.01 1.08 -0.06 0.25 -1.65 0.00 0.00 177.43 177.07 1d1z h LEU 1083N 0.01 -0.14 -0.32 1.61 6.46 -0.76 -0.65 115.31 121.52 1d1z h LEU 1083Ca -0.08 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1d1z h LEU 1083Cb 1.85 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.79 1d1z h LEU 1083CO 0.13 -0.09 0.09 0.40 -0.62 0.00 0.00 178.44 178.36 1d1z h ILE 1084N -0.13 0.89 -0.86 4.05 1.08 -1.16 -1.47 117.51 119.91 1d1z h ILE 1084Ca 0.00 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.44 1d1z h ILE 1084Cb 0.12 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.47 1d1z h ILE 1084CO -0.01 0.04 0.57 0.28 -0.69 0.00 0.00 178.15 178.34 1d1z h SER 1085N 0.22 0.91 -0.68 1.72 0.02 -1.14 -2.20 113.55 112.41 1d1z h SER 1085Ca 0.14 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1d1z h SER 1085Cb 0.13 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1d1z h SER 1085CO -0.17 0.62 0.33 0.00 -1.14 0.00 0.00 176.83 176.47 1d1z h ALA 1086N 1.50 1.26 -0.01 3.77 0.00 -0.14 -2.01 119.26 123.64 1d1z h ALA 1086Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1d1z h ALA 1086Cb 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1d1z h ALA 1086CO -0.11 0.56 0.00 1.19 0.00 0.00 0.00 179.25 180.90 1d1z n PHE 1087N -4.33 0.01 1.00 0.00 3.01 -0.65 -1.97 117.46 114.53 1d1z n PHE 1087Ca 0.07 -0.01 0.13 0.00 1.01 0.00 0.00 57.45 58.65 1d1z n PHE 1087Cb 0.14 0.00 0.51 0.00 -0.01 0.00 0.00 39.48 40.11 1d1z n PHE 1087CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1d1z n GLN 1088N -0.76 0.00 -3.20 -1.08 6.02 -0.75 -1.52 117.38 116.09 1d1z n GLN 1088Ca 0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.91 1d1z n GLN 1088Cb 0.09 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.85 1d1z n GLN 1088CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1d1z s LYS 1089N -3.00 3.39 0.77 -1.09 1.02 -0.83 -4.59 119.74 115.41 1d1z s LYS 1089Ca 0.13 -0.31 -0.11 0.00 0.02 0.00 0.00 55.97 55.70 1d1z s LYS 1089Cb 0.19 -2.60 0.06 0.00 -0.52 0.00 0.00 37.83 34.95 1d1z s LYS 1089CO 0.58 0.01 1.08 -1.25 -0.92 0.00 0.00 175.35 174.85 1d1z s PRO 1090N -4.42 2.28 -1.09 -1.68 0.04 -1.26 -4.33 135.00 124.53 1d1z s PRO 1090Ca 0.43 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 1d1z s PRO 1090Cb -0.10 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1d1z s PRO 1090CO 0.37 -1.58 0.92 -3.47 0.04 0.00 0.00 177.00 173.28 1d1z n ASP 1091N -3.46 -3.63 -0.22 6.66 2.03 -1.26 -4.93 116.55 111.73 1d1z n ASP 1091Ca 0.08 -0.62 0.04 0.00 0.52 0.00 0.00 54.79 54.81 1d1z n ASP 1091Cb 0.54 -4.92 0.01 0.00 -0.72 0.00 0.00 41.12 36.03 1d1z n ASP 1091CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1d1z n GLN 1092N -3.66 1.23 0.00 -0.67 1.13 -1.26 -4.99 117.38 109.16 1d1z n GLN 1092Ca -0.20 -0.70 0.00 0.00 -1.94 0.00 0.00 57.00 54.16 1d1z n GLN 1092Cb 0.64 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.94 1d1z n GLN 1092CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1d1z n GLY 1093N 0.60 0.84 3.81 1.08 0.00 -1.26 -4.87 105.19 105.38 1d1z n GLY 1093Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1d1z n GLY 1093CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d1z s ILE 1094N -2.00 2.35 0.27 -0.61 -4.36 -1.26 -2.08 121.20 113.51 1d1z s ILE 1094Ca 0.00 -1.55 0.03 0.00 -0.26 0.00 0.00 60.65 58.88 1d1z s ILE 1094Cb 0.00 -2.90 0.03 0.00 1.25 0.00 0.00 42.46 40.84 1d1z s ILE 1094CO 0.00 0.00 1.66 1.62 0.24 0.00 0.00 174.94 178.46 1d1z h VAL 1095N 1.20 1.30 -2.89 8.37 3.04 -1.98 -3.44 116.25 121.86 1d1z h VAL 1095Ca -0.42 -1.51 -0.11 0.00 -1.01 0.00 0.00 66.70 63.65 1d1z h VAL 1095Cb 1.26 1.59 -0.21 0.00 -2.01 0.00 0.00 31.29 31.93 1d1z h VAL 1095CO 0.64 0.46 -0.23 -0.51 -1.01 0.00 0.00 177.57 176.92 1d1z s ILE 1096N -4.23 0.04 0.61 3.17 2.07 -1.26 -5.14 121.20 116.47 1d1z s ILE 1096Ca -0.06 -0.32 -0.19 0.00 -1.41 0.00 0.00 60.65 58.67 1d1z s ILE 1096Cb 0.13 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 1d1z s ILE 1096CO 0.79 -0.18 1.26 -2.84 -1.91 0.00 0.00 174.94 172.07 1d1z s PRO 1097N -0.96 2.80 0.15 3.50 0.02 -1.26 -4.93 135.00 134.31 1d1z s PRO 1097Ca -0.10 1.97 -0.31 0.00 0.02 0.00 0.00 61.00 62.58 1d1z s PRO 1097Cb -0.04 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 1d1z s PRO 1097CO 0.04 -1.38 1.76 -0.51 -0.33 0.00 0.00 177.00 176.57 1d1z s LEU 1098N -4.15 4.38 0.00 -5.54 1.43 -0.58 -4.66 118.68 109.56 1d1z s LEU 1098Ca 0.79 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 56.65 1d1z s LEU 1098Cb -0.35 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1d1z s LEU 1098CO 0.37 -0.97 0.00 1.67 0.23 0.00 0.00 176.35 177.66 1d1z n GLN 1099N 5.00 0.24 -3.88 1.70 7.27 -0.22 -4.36 117.38 123.13 1d1z n GLN 1099Ca 0.17 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.94 1d1z n GLN 1099Cb 0.37 -0.68 -0.14 0.00 2.41 0.00 0.00 30.24 32.20 1d1z n GLN 1099CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1d1z s TYR 1100N -1.36 2.85 0.22 3.69 1.51 -0.39 -4.97 117.35 118.90 1d1z s TYR 1100Ca 0.00 -2.84 -0.30 0.00 -1.01 0.00 0.00 57.07 52.92 1d1z s TYR 1100Cb 0.00 -2.51 -0.10 0.00 -0.11 0.00 0.00 41.96 39.25 1d1z s TYR 1100CO 0.00 -0.80 1.42 -1.25 -1.11 0.00 0.00 175.55 173.81 1d1z s PRO 1101N 0.23 4.30 -0.44 -1.71 0.04 -1.26 -1.85 135.00 134.30 1d1z s PRO 1101Ca 0.16 2.23 -0.21 0.00 0.04 0.00 0.00 61.00 63.21 1d1z s PRO 1101Cb -0.24 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1d1z s PRO 1101CO -0.03 -0.40 0.69 0.08 0.04 0.00 0.00 177.00 177.38 1d1z s VAL 1102N 0.21 4.77 -0.49 -0.36 1.01 -0.37 -4.89 120.40 120.28 1d1z s VAL 1102Ca 0.60 0.20 0.13 0.00 0.00 0.00 0.00 61.98 62.90 1d1z s VAL 1102Cb -0.40 -4.25 -0.15 0.00 0.00 0.00 0.00 36.38 31.58 1d1z s VAL 1102CO 0.40 -0.65 0.49 -0.62 0.00 0.00 0.00 175.10 174.73 1d1z n GLU 1103N 6.41 2.37 0.00 2.72 1.02 -1.26 -4.32 120.64 127.58 1d1z n GLU 1103Ca -0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1d1z n GLU 1103Cb 0.48 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1d1z n GLU 1103CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67