#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ass s SER 1003N 0.00 -0.31 0.08 0.00 0.15 -1.26 -3.15 113.70 109.21 2ass s SER 1003Ca 0.00 0.37 0.01 0.00 0.70 0.00 0.00 55.95 57.02 2ass s SER 1003Cb 0.00 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2ass s SER 1003CO 0.00 -0.38 -0.05 -0.63 1.20 0.00 0.00 173.24 173.38 2ass s ILE 1004N -0.86 0.51 -0.09 6.45 -1.09 -0.69 -4.80 121.20 120.62 2ass s ILE 1004Ca -0.09 -1.88 0.04 0.00 -2.23 0.00 0.00 60.65 56.48 2ass s ILE 1004Cb -0.04 -1.61 -0.01 0.00 -1.58 0.00 0.00 42.46 39.23 2ass s ILE 1004CO 0.04 -0.92 -0.21 -0.54 -1.23 0.00 0.00 174.94 172.08 2ass s LYS 1005N -3.84 2.98 -0.07 2.79 1.02 -1.26 -1.79 119.74 119.57 2ass s LYS 1005Ca 0.10 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.28 2ass s LYS 1005Cb 0.06 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 35.00 2ass s LYS 1005CO -0.07 0.26 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.98 2ass s LEU 1006N 0.16 2.77 -0.28 3.17 1.43 -0.30 0.65 118.68 126.27 2ass s LEU 1006Ca -0.12 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 2ass s LEU 1006Cb -0.16 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2ass s LEU 1006CO 0.06 0.30 0.05 -1.58 0.23 0.00 0.00 176.35 175.42 2ass s GLN 1007N -0.48 3.16 1.24 1.70 0.74 0.37 -0.92 119.66 125.46 2ass s GLN 1007Ca 0.06 -0.80 -0.18 0.00 0.05 0.00 0.00 55.36 54.48 2ass s GLN 1007Cb -0.12 -3.29 0.30 0.00 1.10 0.00 0.00 33.01 31.01 2ass s GLN 1007CO 0.02 -0.38 1.04 -1.54 -0.55 0.00 0.00 175.29 173.87 2ass s SER 1008N 1.49 0.51 0.22 6.67 1.04 -0.04 -0.66 113.70 122.93 2ass s SER 1008Ca 0.03 0.89 -0.09 0.00 0.48 0.00 0.00 55.95 57.26 2ass s SER 1008Cb -0.17 -1.31 0.21 0.00 0.10 0.00 0.00 66.02 64.85 2ass s SER 1008CO 0.01 -4.40 1.87 0.77 0.98 0.00 0.00 173.24 172.46 2ass h SER 1009N -2.77 0.83 -0.01 7.02 4.64 -0.52 -2.47 113.55 120.27 2ass h SER 1009Ca -0.48 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2ass h SER 1009Cb 1.32 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2ass h SER 1009CO 0.38 0.58 0.00 -0.90 -0.87 0.00 0.00 176.83 176.02 2ass n ASP 1010N -4.60 0.72 0.00 4.97 3.85 -1.26 -4.92 116.55 115.31 2ass n ASP 1010Ca 0.09 -1.26 0.00 0.00 -0.71 0.00 0.00 54.79 52.90 2ass n ASP 1010Cb 0.07 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 2ass n ASP 1010CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ass n GLY 1011N 1.07 3.08 3.47 6.12 0.00 -0.93 -5.08 105.19 112.92 2ass n GLY 1011Ca 0.21 -1.07 -0.53 0.00 0.00 0.00 0.00 46.02 44.63 2ass n GLY 1011CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ass n GLU 1012N 0.00 0.17 -4.60 1.61 4.07 -1.26 -4.36 120.64 116.27 2ass n GLU 1012Ca 0.00 0.06 -0.33 0.00 -0.06 0.00 0.00 57.16 56.83 2ass n GLU 1012Cb 0.00 -1.36 -0.13 0.00 -0.06 0.00 0.00 31.44 29.89 2ass n GLU 1012CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2ass s ILE 1013N -0.43 3.51 0.21 6.31 1.01 -1.26 -0.86 121.20 129.70 2ass s ILE 1013Ca 0.78 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 61.02 2ass s ILE 1013Cb -1.07 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2ass s ILE 1013CO 0.56 0.52 -0.12 -0.36 0.00 0.00 0.00 174.94 175.54 2ass s PHE 1014N 0.16 2.54 -0.09 3.97 0.40 -0.10 -4.97 117.98 119.89 2ass s PHE 1014Ca -0.04 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.06 2ass s PHE 1014Cb -0.14 -1.20 0.01 0.00 0.51 0.00 0.00 43.02 42.19 2ass s PHE 1014CO 0.04 0.56 -0.19 -2.00 0.70 0.00 0.00 175.22 174.32 2ass s GLU 1015N -3.05 2.52 0.21 0.44 2.12 -1.26 -1.15 118.70 118.52 2ass s GLU 1015Ca 0.26 -0.69 -0.03 0.00 0.36 0.00 0.00 54.97 54.87 2ass s GLU 1015Cb -0.08 -1.96 -0.03 0.00 0.26 0.00 0.00 34.13 32.32 2ass s GLU 1015CO 0.15 0.11 0.19 0.14 -0.54 0.00 0.00 175.26 175.31 2ass s VAL 1016N 0.51 0.00 0.49 3.70 -7.23 -0.74 -5.01 120.40 112.12 2ass s VAL 1016Ca -0.16 -1.90 -0.22 0.00 -1.81 0.00 0.00 61.98 57.88 2ass s VAL 1016Cb -0.17 -2.45 -0.07 0.00 0.56 0.00 0.00 36.38 34.25 2ass s VAL 1016CO 0.06 0.00 1.22 -0.62 -0.31 0.00 0.00 175.10 175.45 2ass s ASP 1017N -3.14 5.91 0.26 4.85 3.68 -1.26 -1.71 116.67 125.26 2ass s ASP 1017Ca 0.36 2.43 -0.02 0.00 2.13 0.00 0.00 52.55 57.44 2ass s ASP 1017Cb 0.06 -2.61 0.41 0.00 -1.45 0.00 0.00 42.92 39.33 2ass s ASP 1017CO 0.12 -1.11 1.88 -0.37 0.13 0.00 0.00 175.17 175.82 2ass h VAL 1018N 1.73 1.07 0.00 1.11 -1.51 -1.85 -2.35 116.25 114.45 2ass h VAL 1018Ca -0.50 -0.39 -0.15 0.00 -1.23 0.00 0.00 66.70 64.42 2ass h VAL 1018Cb 1.26 -0.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 2ass h VAL 1018CO 0.59 0.21 -0.95 -0.33 -1.23 0.00 0.00 177.57 175.86 2ass h GLU 1019N 1.15 0.00 -0.08 5.19 5.08 -1.91 -2.14 114.58 121.87 2ass h GLU 1019Ca 0.43 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.71 2ass h GLU 1019Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2ass h GLU 1019CO -0.18 0.51 -0.33 0.82 -1.00 0.00 0.00 179.01 178.83 2ass h ILE 1020N 0.00 1.27 0.00 3.13 2.04 -1.86 -0.77 117.51 121.31 2ass h ILE 1020Ca -0.07 -1.27 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 2ass h ILE 1020Cb 1.55 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2ass h ILE 1020CO 0.07 0.38 -0.50 0.00 0.00 0.00 0.00 178.15 178.10 2ass h ALA 1021N 1.52 0.75 0.00 1.87 0.00 -1.45 -3.15 119.26 118.80 2ass h ALA 1021Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2ass h ALA 1021Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ass h ALA 1021CO 0.05 0.42 0.02 -0.22 0.00 0.00 0.00 179.25 179.51 2ass h LYS 1022N 0.00 0.00 0.00 0.00 3.64 -0.44 -0.39 116.57 119.39 2ass h LYS 1022Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2ass h LYS 1022Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2ass h LYS 1022CO 0.04 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.26 2ass n GLN 1023N -2.71 0.19 -3.42 1.90 6.02 -1.13 -4.33 117.38 113.89 2ass n GLN 1023Ca -0.02 0.48 -0.43 0.00 -0.01 0.00 0.00 57.00 57.02 2ass n GLN 1023Cb 0.07 -1.90 -0.10 0.00 1.02 0.00 0.00 30.24 29.33 2ass n GLN 1023CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ass s SER 1024N -4.22 6.13 0.54 1.08 0.15 -0.16 -4.32 113.70 112.91 2ass s SER 1024Ca 0.03 -0.84 0.20 0.00 0.70 0.00 0.00 55.95 56.04 2ass s SER 1024Cb 0.09 -2.18 1.44 0.00 -1.71 0.00 0.00 66.02 63.66 2ass s SER 1024CO 0.35 -0.49 2.18 0.58 1.20 0.00 0.00 173.24 177.06 2ass h VAL 1025N 5.66 0.85 -0.51 4.45 2.07 -0.85 0.50 116.25 128.42 2ass h VAL 1025Ca -0.27 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 2ass h VAL 1025Cb 1.12 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2ass h VAL 1025CO 0.75 0.01 -0.08 0.74 0.02 0.00 0.00 177.57 179.01 2ass h THR 1026N 0.00 1.27 0.00 2.57 2.02 -1.63 -0.05 112.91 117.09 2ass h THR 1026Ca -0.00 -1.21 -0.09 0.00 0.77 0.00 0.00 66.41 65.89 2ass h THR 1026Cb 0.01 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2ass h THR 1026CO 0.00 0.42 -0.41 0.40 0.37 0.00 0.00 175.52 176.31 2ass h ILE 1027N 0.82 0.80 0.08 3.11 2.04 -1.28 -2.63 117.51 120.44 2ass h ILE 1027Ca 0.14 -1.79 -0.26 0.00 1.00 0.00 0.00 64.86 63.95 2ass h ILE 1027Cb 0.63 2.15 0.02 0.00 -0.74 0.00 0.00 36.82 38.88 2ass h ILE 1027CO 0.04 0.40 -1.05 0.50 0.00 0.00 0.00 178.15 178.04 2ass h LYS 1028N 0.00 0.57 -0.39 2.37 3.64 -0.73 -1.99 116.57 120.04 2ass h LYS 1028Ca -0.00 -0.72 0.05 0.00 -1.27 0.00 0.00 60.65 58.71 2ass h LYS 1028Cb 1.11 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 33.12 2ass h LYS 1028CO 0.05 1.31 0.13 1.15 -2.27 0.00 0.00 179.45 179.82 2ass h THR 1029N 0.16 0.87 -0.75 1.00 2.02 -0.99 -2.49 112.91 112.72 2ass h THR 1029Ca -0.15 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 2ass h THR 1029Cb 1.74 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 2ass h THR 1029CO 0.20 0.05 0.30 0.24 0.37 0.00 0.00 175.52 176.69 2ass h MET 1030N 0.28 1.12 -0.50 6.66 2.86 -1.49 -3.18 114.93 120.67 2ass h MET 1030Ca 0.18 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2ass h MET 1030Cb 0.17 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2ass h MET 1030CO -0.20 0.91 0.08 -0.07 1.06 0.00 0.00 176.91 178.70 2ass h LEU 1031N 1.08 0.75 -1.37 1.22 3.38 -0.92 -3.16 115.31 116.29 2ass h LEU 1031Ca 0.25 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.15 2ass h LEU 1031Cb 0.21 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2ass h LEU 1031CO -0.02 0.77 0.49 1.05 0.09 0.00 0.00 178.44 180.82 2ass h GLU 1032N 0.76 0.73 -5.23 1.13 4.11 -1.46 -3.43 114.58 111.18 2ass h GLU 1032Ca 0.16 -0.04 -0.62 0.00 0.07 0.00 0.00 59.36 58.93 2ass h GLU 1032Cb 0.35 -0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.30 2ass h GLU 1032CO 0.01 0.48 -0.54 0.16 0.07 0.00 0.00 179.01 179.19 2ass s ASP 1033N -6.14 3.56 -0.43 3.06 -4.77 -1.19 -4.90 116.67 105.85 2ass s ASP 1033Ca -0.10 -1.59 -0.34 0.00 -3.30 0.00 0.00 52.55 47.23 2ass s ASP 1033Cb 0.20 0.32 0.05 0.00 -1.09 0.00 0.00 42.92 42.39 2ass s ASP 1033CO 0.77 -0.79 0.63 0.18 0.70 0.00 0.00 175.17 176.67 2ass n LEU 1034N -1.07 -3.60 -4.07 2.11 4.77 -1.26 -4.85 117.00 109.04 2ass n LEU 1034Ca -0.12 -0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.56 2ass n LEU 1034Cb 0.66 -1.95 -0.17 0.00 -2.33 0.00 0.00 43.42 39.64 2ass n LEU 1034CO 0.39 -0.52 -0.50 -0.83 -1.33 0.00 0.00 177.39 174.61 2ass s GLY 1035N -1.66 1.12 0.00 -0.72 0.00 -1.26 -4.76 107.32 100.04 2ass s GLY 1035Ca 0.35 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2ass s GLY 1035CO 0.83 0.26 0.00 -0.13 0.00 0.00 0.00 173.10 174.06 2ass n MET 1036N 4.33 0.00 -2.06 2.90 0.00 -1.26 -5.20 117.12 115.83 2ass n MET 1036Ca -0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 57.70 57.13 2ass n MET 1036Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.74 2ass n MET 1036CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2ass s ASP 1037N 0.00 5.93 0.44 6.12 1.01 -1.26 -4.64 116.67 124.27 2ass s ASP 1037Ca 0.00 2.53 0.00 0.00 0.71 0.00 0.00 52.55 55.80 2ass s ASP 1037Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 2ass s ASP 1037CO 0.00 -1.10 0.01 -0.81 0.21 0.00 0.00 175.17 173.48 2ass n PRO 1038N -0.50 0.88 -2.03 8.23 -0.04 -1.26 -5.02 135.00 135.27 2ass n PRO 1038Ca 0.07 -3.26 -0.42 0.00 -0.04 0.00 0.00 63.50 59.85 2ass n PRO 1038Cb 0.46 0.96 -0.03 0.00 -0.04 0.00 0.00 33.50 34.85 2ass n PRO 1038CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ass s VAL 1039N -2.65 3.53 -0.17 0.52 1.01 0.21 -4.68 120.40 118.17 2ass s VAL 1039Ca 0.02 0.74 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 2ass s VAL 1039Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2ass s VAL 1039CO 0.01 -0.05 0.45 -2.16 0.00 0.00 0.00 175.10 173.35 2ass s PRO 1040N 3.62 4.25 -0.70 2.72 0.04 -1.26 0.14 135.00 143.81 2ass s PRO 1040Ca 0.72 0.34 0.03 0.00 0.04 0.00 0.00 61.00 62.13 2ass s PRO 1040Cb -0.34 -3.49 0.17 0.00 0.04 0.00 0.00 34.50 30.88 2ass s PRO 1040CO 0.29 0.03 0.50 -0.51 0.04 0.00 0.00 177.00 177.35 2ass s LEU 1041N 1.05 4.88 0.67 -3.56 1.43 0.17 -4.92 118.68 118.39 2ass s LEU 1041Ca 0.23 -3.65 0.38 0.00 -1.03 0.00 0.00 54.13 50.05 2ass s LEU 1041Cb -0.15 -1.69 2.05 0.00 0.03 0.00 0.00 46.19 46.43 2ass s LEU 1041CO 0.09 -0.14 2.16 1.55 0.23 0.00 0.00 176.35 180.24 2ass h PRO 1042N 5.75 0.00 -0.71 1.29 0.13 -1.85 -2.62 132.00 133.99 2ass h PRO 1042Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2ass h PRO 1042Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2ass h PRO 1042CO 0.73 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.59 2ass n ASN 1043N -3.02 4.41 -3.72 1.44 3.02 -1.26 -4.43 115.26 111.70 2ass n ASN 1043Ca -0.02 -2.22 -0.24 0.00 -0.03 0.00 0.00 54.58 52.07 2ass n ASN 1043Cb 0.22 -0.54 -0.17 0.00 -0.61 0.00 0.00 39.78 38.67 2ass n ASN 1043CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ass s VAL 1044N -1.41 0.22 0.94 2.41 1.01 -1.07 -4.91 120.40 117.59 2ass s VAL 1044Ca 0.51 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 2ass s VAL 1044Cb 0.30 -0.55 0.15 0.00 0.00 0.00 0.00 36.38 36.28 2ass s VAL 1044CO 0.30 0.07 1.12 0.54 0.00 0.00 0.00 175.10 177.12 2ass s ASN 1045N 2.02 3.23 0.23 3.32 6.03 -1.26 -0.64 114.94 127.87 2ass s ASN 1045Ca 0.03 1.09 -0.07 0.00 -1.03 0.00 0.00 52.86 52.88 2ass s ASN 1045Cb -0.14 -1.71 0.26 0.00 -3.03 0.00 0.00 41.25 36.63 2ass s ASN 1045CO -0.06 -2.74 1.87 0.00 -2.03 0.00 0.00 177.10 174.14 2ass h ALA 1046N -1.62 1.10 0.47 3.54 0.00 -1.92 -0.18 119.26 120.64 2ass h ALA 1046Ca -0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2ass h ALA 1046Cb 1.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2ass h ALA 1046CO 0.60 0.34 -0.38 0.00 0.00 0.00 0.00 179.25 179.81 2ass h ALA 1047N 1.36 -0.88 -0.55 0.00 0.00 -2.00 -0.86 119.26 116.33 2ass h ALA 1047Ca 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2ass h ALA 1047Cb 0.04 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2ass h ALA 1047CO -0.13 -1.02 0.33 0.82 0.00 0.00 0.00 179.25 179.25 2ass h ILE 1048N -0.84 1.17 -0.18 0.00 1.08 -1.90 -2.53 117.51 114.30 2ass h ILE 1048Ca -0.05 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 2ass h ILE 1048Cb 0.73 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 2ass h ILE 1048CO -0.01 0.17 0.07 0.25 -0.69 0.00 0.00 178.15 177.94 2ass h LEU 1049N 0.74 0.22 0.13 1.44 6.46 -0.89 -0.40 115.31 123.00 2ass h LEU 1049Ca 0.20 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 2ass h LEU 1049Cb -0.01 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2ass h LEU 1049CO -0.04 0.21 -0.06 0.50 -0.62 0.00 0.00 178.44 178.43 2ass h LYS 1050N 0.25 -0.16 -0.34 1.25 3.64 -0.72 0.30 116.57 120.79 2ass h LYS 1050Ca 0.06 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2ass h LYS 1050Cb 0.06 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2ass h LYS 1050CO -0.01 0.06 0.13 0.87 -2.27 0.00 0.00 179.45 178.23 2ass h LYS 1051N -0.37 0.27 -0.60 1.90 1.79 -1.23 0.49 116.57 118.82 2ass h LYS 1051Ca -0.02 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 2ass h LYS 1051Cb 0.30 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.84 2ass h LYS 1051CO 0.03 0.18 0.29 0.28 -1.08 0.00 0.00 179.45 179.15 2ass h VAL 1052N 0.27 0.90 0.00 0.50 2.07 -0.91 0.21 116.25 119.29 2ass h VAL 1052Ca 0.15 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 2ass h VAL 1052Cb 0.11 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2ass h VAL 1052CO -0.15 0.10 -0.45 0.40 0.02 0.00 0.00 177.57 177.49 2ass h ILE 1053N 0.54 1.23 -0.10 4.57 2.04 -0.32 0.05 117.51 125.52 2ass h ILE 1053Ca 0.28 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2ass h ILE 1053Cb 0.24 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2ass h ILE 1053CO -0.21 0.44 -0.13 -0.61 0.00 0.00 0.00 178.15 177.63 2ass h GLN 1054N 0.00 0.26 0.37 2.37 4.15 0.18 -2.41 115.11 120.04 2ass h GLN 1054Ca -0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 2ass h GLN 1054Cb 0.84 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 2ass h GLN 1054CO 0.06 0.71 -0.29 2.35 -1.93 0.00 0.00 178.83 179.73 2ass h TRP 1055N -0.17 -0.79 -1.27 3.99 7.01 -0.33 -2.28 115.95 122.10 2ass h TRP 1055Ca 0.01 -0.00 0.37 0.00 2.11 0.00 0.00 58.89 61.38 2ass h TRP 1055Cb 0.68 0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.98 2ass h TRP 1055CO 0.10 -0.41 0.91 0.00 -2.79 0.00 0.00 178.44 176.25 2ass h THR 1057N 0.01 1.29 -0.41 0.00 1.03 -0.92 -3.30 112.91 110.60 2ass h THR 1057Ca 0.61 -2.02 0.00 0.00 -0.01 0.00 0.00 66.41 64.99 2ass h THR 1057Cb 2.41 2.11 -0.02 0.00 -1.07 0.00 0.00 68.15 71.58 2ass h THR 1057CO -0.02 0.63 0.26 -0.74 -0.01 0.00 0.00 175.52 175.65 2ass h HIS 1058N 0.45 0.54 -3.67 0.00 6.17 -0.33 -3.38 115.15 114.92 2ass h HIS 1058Ca -0.07 0.00 -0.37 0.00 0.71 0.00 0.00 60.37 60.65 2ass h HIS 1058Cb 1.45 -0.18 0.14 0.00 2.52 0.00 0.00 27.41 31.34 2ass h HIS 1058CO 0.10 0.37 0.34 0.72 0.71 0.00 0.00 177.93 180.16 2ass n HIS 1059N -4.77 -3.93 0.00 5.26 8.25 -1.12 -4.78 115.22 114.13 2ass n HIS 1059Ca 0.01 -1.03 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 2ass n HIS 1059Cb 0.04 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.30 2ass n HIS 1059CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2ass n LYS 1060N -3.34 0.00 -3.65 -0.41 5.02 -1.25 -4.90 118.16 109.63 2ass n LYS 1060Ca 0.14 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.17 2ass n LYS 1060Cb 0.49 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.33 2ass n LYS 1060CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2ass s ASP 1061N 0.00 2.32 -0.06 4.39 1.47 -1.26 -5.05 116.67 118.48 2ass s ASP 1061Ca 0.00 -0.57 -0.14 0.00 1.18 0.00 0.00 52.55 53.02 2ass s ASP 1061Cb 0.00 -0.31 0.03 0.00 -0.34 0.00 0.00 42.92 42.30 2ass s ASP 1061CO 0.00 -0.33 0.33 1.51 0.68 0.00 0.00 175.17 177.36 2ass s ASP 1062N 2.08 -0.26 0.39 2.11 1.47 -1.26 -5.05 116.67 116.15 2ass s ASP 1062Ca 0.02 0.31 0.24 0.00 1.18 0.00 0.00 52.55 54.30 2ass s ASP 1062Cb -0.16 0.46 0.43 0.00 -0.34 0.00 0.00 42.92 43.31 2ass s ASP 1062CO -0.08 -0.33 1.63 1.55 0.68 0.00 0.00 175.17 178.62 2ass h PRO 1063N 4.47 0.00 -7.03 2.11 0.13 -2.05 -3.55 132.00 126.08 2ass h PRO 1063Ca -0.28 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.36 2ass h PRO 1063Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ass h PRO 1063CO 0.36 0.00 0.25 -1.25 -0.23 0.00 0.00 178.00 177.13 2ass s PRO 1064N -3.19 3.83 0.00 1.56 0.04 -1.26 -5.27 135.00 130.71 2ass s PRO 1064Ca 0.08 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2ass s PRO 1064Cb 0.07 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2ass s PRO 1064CO 0.66 -0.18 0.00 2.89 0.04 0.00 0.00 177.00 180.41 2ass n ARG 1081N -1.56 0.00 -1.14 4.56 0.00 -1.26 -5.19 116.66 112.07 2ass n ARG 1081Ca 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.69 2ass n ARG 1081Cb 0.54 0.00 0.15 0.00 -0.00 0.00 0.00 32.46 33.15 2ass n ARG 1081CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2ass n THR 1082N 1.19 0.00 -1.93 8.89 -1.04 -1.26 -4.95 114.28 115.19 2ass n THR 1082Ca 0.00 -0.57 -0.42 0.00 -2.04 0.00 0.00 64.05 61.01 2ass n THR 1082Cb 0.00 -1.51 -0.03 0.00 -1.82 0.00 0.00 70.33 66.97 2ass n THR 1082CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2ass s ASP 1083N -4.12 6.61 0.00 8.00 1.11 -1.26 -4.81 116.67 122.21 2ass s ASP 1083Ca 0.51 2.35 0.00 0.00 0.18 0.00 0.00 52.55 55.59 2ass s ASP 1083Cb -0.02 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.43 2ass s ASP 1083CO 0.37 -0.95 0.00 0.47 1.18 0.00 0.00 175.17 176.24 2ass n ASP 1084N 7.14 -0.00 -1.47 0.27 9.92 -1.26 -5.10 116.55 126.05 2ass n ASP 1084Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2ass n ASP 1084Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 2ass n ASP 1084CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ass n ILE 1085N -2.55 -1.59 -0.67 0.53 5.41 -1.26 -4.96 119.36 114.27 2ass n ILE 1085Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 2ass n ILE 1085Cb 0.05 -3.73 0.00 0.00 -0.71 0.00 0.00 39.64 35.25 2ass n ILE 1085CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2ass n PRO 1086N -0.67 0.00 -0.33 0.38 -0.02 -1.26 -4.36 135.00 128.74 2ass n PRO 1086Ca 0.00 0.00 0.23 0.00 -2.02 0.00 0.00 63.50 61.71 2ass n PRO 1086Cb 0.18 -0.53 0.50 0.00 -0.02 0.00 0.00 33.50 33.63 2ass n PRO 1086CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2ass h VAL 1087N 0.08 0.51 0.33 -1.45 -1.51 -2.00 -1.27 116.25 110.95 2ass h VAL 1087Ca -0.21 -0.14 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 2ass h VAL 1087Cb 0.77 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 2ass h VAL 1087CO 0.23 0.07 -0.16 -0.25 -1.23 0.00 0.00 177.57 176.24 2ass h TRP 1088N 0.40 -0.42 -0.76 5.19 7.01 -2.03 -3.23 115.95 122.12 2ass h TRP 1088Ca 0.61 -0.01 0.22 0.00 2.11 0.00 0.00 58.89 61.82 2ass h TRP 1088Cb 1.51 0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 28.67 2ass h TRP 1088CO -0.00 -0.26 0.58 -0.44 -2.79 0.00 0.00 178.44 175.53 2ass h ASP 1089N -1.01 0.00 -0.20 2.65 3.45 -1.83 -2.60 116.42 116.89 2ass h ASP 1089Ca -0.05 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.43 2ass h ASP 1089Cb 0.34 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 2ass h ASP 1089CO 0.08 0.00 -0.12 0.00 -1.57 0.00 0.00 179.24 177.63 2ass n GLN 1090N -4.18 -0.09 0.17 3.56 1.13 -0.50 -1.66 117.38 115.81 2ass n GLN 1090Ca 0.15 1.02 0.06 0.00 -1.94 0.00 0.00 57.00 56.29 2ass n GLN 1090Cb 0.86 -1.52 0.10 0.00 0.11 0.00 0.00 30.24 29.79 2ass n GLN 1090CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 2ass h GLU 1091N 0.00 0.00 -0.56 -1.09 -0.00 -1.61 -3.25 114.58 108.07 2ass h GLU 1091Ca 0.03 0.00 0.11 0.00 -0.00 0.00 0.00 59.36 59.50 2ass h GLU 1091Cb 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.80 2ass h GLU 1091CO -0.19 0.31 0.38 0.35 -0.00 0.00 0.00 179.01 179.87 2ass h PHE 1092N 0.00 0.31 -0.12 2.06 3.57 -1.04 0.29 116.94 122.02 2ass h PHE 1092Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2ass h PHE 1092Cb 1.22 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2ass h PHE 1092CO 0.00 0.14 0.00 1.28 -2.23 0.00 0.00 178.31 177.50 2ass n LEU 1093N -4.45 1.85 -0.10 0.59 4.77 -0.87 -4.24 117.00 114.54 2ass n LEU 1093Ca 0.09 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2ass n LEU 1093Cb 0.42 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2ass n LEU 1093CO 0.35 0.35 0.03 0.29 -1.33 0.00 0.00 177.39 177.08 2ass n LYS 1094N 0.44 0.06 -1.30 3.23 5.02 0.10 -4.72 118.16 121.00 2ass n LYS 1094Ca 0.17 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 2ass n LYS 1094Cb 0.38 -1.01 0.09 0.00 -0.02 0.00 0.00 35.03 34.47 2ass n LYS 1094CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2ass s VAL 1095N -1.80 3.41 0.99 -0.18 -7.23 -1.26 -5.00 120.40 109.33 2ass s VAL 1095Ca 0.00 0.46 -0.11 0.00 -1.81 0.00 0.00 61.98 60.51 2ass s VAL 1095Cb 0.00 -2.98 0.19 0.00 0.56 0.00 0.00 36.38 34.15 2ass s VAL 1095CO 0.00 -0.60 1.09 1.51 -0.31 0.00 0.00 175.10 176.79 2ass s ASP 1096N -3.45 2.42 0.42 4.85 -4.77 -1.26 -4.78 116.67 110.10 2ass s ASP 1096Ca 0.61 1.75 0.11 0.00 -3.30 0.00 0.00 52.55 51.72 2ass s ASP 1096Cb -0.17 -2.36 0.95 0.00 -1.09 0.00 0.00 42.92 40.25 2ass s ASP 1096CO 0.56 -3.34 1.99 -0.61 0.70 0.00 0.00 175.17 174.47 2ass h GLN 1097N -2.03 0.48 0.90 2.11 4.15 -1.95 -2.77 115.11 116.00 2ass h GLN 1097Ca -0.51 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 58.83 2ass h GLN 1097Cb 1.29 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.88 2ass h GLN 1097CO 0.49 0.32 -0.45 0.78 -1.93 0.00 0.00 178.83 178.03 2ass h GLY 1098N 0.49 -1.29 1.30 2.39 0.00 -2.01 -2.58 103.07 101.38 2ass h GLY 1098Ca 0.26 0.49 0.02 0.00 0.00 0.00 0.00 47.33 48.10 2ass h GLY 1098CO -0.07 -0.47 0.42 -0.91 0.00 0.00 0.00 176.54 175.51 2ass h THR 1099N -1.23 1.11 0.00 4.70 1.35 -1.91 -1.68 112.91 115.26 2ass h THR 1099Ca -0.12 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 2ass h THR 1099Cb 0.95 0.25 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 2ass h THR 1099CO 0.19 0.14 -0.16 0.25 -0.25 0.00 0.00 175.52 175.70 2ass h LEU 1100N 0.79 0.00 -0.69 3.87 5.85 -1.41 0.19 115.31 123.90 2ass h LEU 1100Ca 0.25 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 2ass h LEU 1100Cb 0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2ass h LEU 1100CO -0.06 0.16 -0.01 0.15 -0.34 0.00 0.00 178.44 178.34 2ass h PHE 1101N 0.00 1.09 0.22 1.25 3.04 -0.88 -1.34 116.94 120.32 2ass h PHE 1101Ca -0.00 -0.18 -0.34 0.00 3.98 0.00 0.00 57.97 61.43 2ass h PHE 1101Cb 0.29 -0.29 0.03 0.00 2.56 0.00 0.00 35.95 38.54 2ass h PHE 1101CO 0.00 0.97 -1.57 0.93 -2.02 0.00 0.00 178.31 176.62 2ass h GLU 1102N 0.92 0.47 -0.70 1.11 5.08 -1.42 -2.91 114.58 117.13 2ass h GLU 1102Ca 0.17 -0.80 0.10 0.00 -1.00 0.00 0.00 59.36 57.83 2ass h GLU 1102Cb 0.54 0.30 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 2ass h GLU 1102CO 0.03 1.38 0.46 1.25 -1.00 0.00 0.00 179.01 181.13 2ass h LEU 1103N 0.13 0.51 0.00 1.33 5.85 -0.58 0.95 115.31 123.49 2ass h LEU 1103Ca -0.28 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2ass h LEU 1103Cb 2.13 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 43.07 2ass h LEU 1103CO 0.24 0.30 -0.49 -0.29 -0.34 0.00 0.00 178.44 177.86 2ass h ILE 1104N 0.56 0.01 0.13 4.05 2.10 -1.30 -2.96 117.51 120.09 2ass h ILE 1104Ca 0.32 -1.02 -0.30 0.00 1.08 0.00 0.00 64.86 64.95 2ass h ILE 1104Cb 0.51 1.77 -0.00 0.00 -1.09 0.00 0.00 36.82 38.01 2ass h ILE 1104CO -0.11 0.01 -1.44 -0.07 -1.08 0.00 0.00 178.15 175.45 2ass h LEU 1105N 0.00 0.43 -0.56 2.19 3.38 -0.56 -3.21 115.31 116.98 2ass h LEU 1105Ca -0.00 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 2ass h LEU 1105Cb 1.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2ass h LEU 1105CO 0.00 1.44 -0.03 0.00 0.09 0.00 0.00 178.44 179.94 2ass h ALA 1106N 0.50 0.76 -0.96 1.53 0.00 0.73 -1.46 119.26 120.36 2ass h ALA 1106Ca -0.21 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.39 2ass h ALA 1106Cb 2.01 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 2ass h ALA 1106CO 0.18 0.62 0.64 0.00 0.00 0.00 0.00 179.25 180.69 2ass h ALA 1107N 0.96 1.32 0.03 0.00 0.00 -1.61 0.29 119.26 120.24 2ass h ALA 1107Ca 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ass h ALA 1107Cb 0.59 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ass h ALA 1107CO 0.04 0.63 -0.01 -0.97 0.00 0.00 0.00 179.25 178.93 2ass h ASN 1108N 1.30 -0.03 -0.62 0.00 -0.73 -1.50 -0.18 115.58 113.82 2ass h ASN 1108Ca 0.36 -0.28 0.06 0.00 1.87 0.00 0.00 56.30 58.31 2ass h ASN 1108Cb -0.14 0.01 -0.06 0.00 0.27 0.00 0.00 38.32 38.40 2ass h ASN 1108CO -0.08 0.27 0.32 0.22 -0.37 0.00 0.00 177.43 177.79 2ass h TYR 1109N -0.33 0.58 -0.00 0.67 3.20 -0.25 -2.03 116.97 118.82 2ass h TYR 1109Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2ass h TYR 1109Cb 0.31 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2ass h TYR 1109CO 0.02 0.26 -0.27 1.28 -1.64 0.00 0.00 178.16 177.82 2ass n LEU 1110N -4.85 0.66 -3.37 2.82 4.77 0.92 -4.77 117.00 113.18 2ass n LEU 1110Ca 0.08 -0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 2ass n LEU 1110Cb 0.18 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2ass n LEU 1110CO 0.28 0.13 0.04 -0.67 -1.33 0.00 0.00 177.39 175.84 2ass n ASP 1111N -1.03 -6.46 -4.05 -1.43 2.03 -0.10 -2.20 116.55 103.31 2ass n ASP 1111Ca 0.10 -0.38 -0.33 0.00 0.52 0.00 0.00 54.79 54.70 2ass n ASP 1111Cb 0.33 -3.58 -0.13 0.00 -0.72 0.00 0.00 41.12 37.01 2ass n ASP 1111CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ass s ILE 1112N -2.84 2.83 0.18 5.18 1.01 -1.06 -0.96 121.20 125.54 2ass s ILE 1112Ca 0.05 -2.52 -0.27 0.00 0.00 0.00 0.00 60.65 57.91 2ass s ILE 1112Cb -0.01 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.51 2ass s ILE 1112CO 0.82 -0.70 1.55 0.50 0.00 0.00 0.00 174.94 177.11 2ass h LYS 1113N 7.46 -0.04 -0.69 2.79 1.63 -1.89 -0.88 116.57 124.95 2ass h LYS 1113Ca -0.07 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.88 2ass h LYS 1113Cb 1.00 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.53 2ass h LYS 1113CO 0.63 -0.03 0.15 0.78 -3.45 0.00 0.00 179.45 177.53 2ass h GLY 1114N -0.04 0.92 0.77 5.01 0.00 -1.94 -2.03 103.07 105.76 2ass h GLY 1114Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2ass h GLY 1114CO -0.91 -0.18 -0.20 -2.00 0.00 0.00 0.00 176.54 173.24 2ass h LEU 1115N 0.25 -0.48 -1.11 3.11 6.46 -1.58 -2.35 115.31 119.60 2ass h LEU 1115Ca 0.38 -0.09 0.27 0.00 -0.12 0.00 0.00 57.88 58.32 2ass h LEU 1115Cb 0.63 0.12 -0.12 0.00 -0.73 0.00 0.00 40.66 40.56 2ass h LEU 1115CO -0.49 -0.17 0.62 -0.07 -0.62 0.00 0.00 178.44 177.71 2ass h LEU 1116N -0.80 0.58 0.54 2.25 3.38 -1.20 0.13 115.31 120.19 2ass h LEU 1116Ca -0.06 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2ass h LEU 1116Cb 0.54 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2ass h LEU 1116CO 0.10 0.05 -0.26 0.44 0.09 0.00 0.00 178.44 178.86 2ass h ASP 1117N 0.48 -0.61 -0.41 -0.43 3.32 -1.05 -1.25 116.42 116.46 2ass h ASP 1117Ca 0.65 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.74 2ass h ASP 1117Cb 1.42 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 41.11 2ass h ASP 1117CO -0.45 -0.40 0.28 -0.37 -1.72 0.00 0.00 179.24 176.58 2ass h VAL 1118N -0.79 1.06 0.00 -1.35 -1.51 -0.91 -2.41 116.25 110.34 2ass h VAL 1118Ca -0.07 -0.17 -0.19 0.00 -1.23 0.00 0.00 66.70 65.04 2ass h VAL 1118Cb 0.55 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 2ass h VAL 1118CO 0.12 0.09 -0.86 0.71 -1.23 0.00 0.00 177.57 176.40 2ass h THR 1119N 0.50 1.54 -0.19 7.19 1.35 -0.99 -2.86 112.91 119.45 2ass h THR 1119Ca 0.16 -2.72 -0.15 0.00 -0.55 0.00 0.00 66.41 63.15 2ass h THR 1119Cb 0.04 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2ass h THR 1119CO -0.04 0.79 -0.52 0.00 -0.25 0.00 0.00 175.52 175.50 2ass h LYS 1121N 0.41 0.75 -0.89 0.00 1.57 -1.47 0.32 116.57 117.28 2ass h LYS 1121Ca 0.01 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2ass h LYS 1121Cb 1.05 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 2ass h LYS 1121CO 0.10 0.84 0.58 1.15 -0.57 0.00 0.00 179.45 181.55 2ass h THR 1122N 0.58 1.14 -0.04 -0.16 2.02 -1.47 1.01 112.91 115.99 2ass h THR 1122Ca 0.12 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.77 2ass h THR 1122Cb 0.52 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2ass h THR 1122CO 0.03 0.20 -0.63 0.58 0.37 0.00 0.00 175.52 176.07 2ass h VAL 1123N 1.10 1.41 -0.07 3.16 2.07 -1.18 -2.79 116.25 119.95 2ass h VAL 1123Ca 0.35 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 2ass h VAL 1123Cb 0.03 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2ass h VAL 1123CO -0.11 0.60 -0.01 0.00 0.02 0.00 0.00 177.57 178.07 2ass h ALA 1124N 1.23 0.09 -0.05 1.67 0.00 0.15 -2.52 119.26 119.83 2ass h ALA 1124Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2ass h ALA 1124Cb 1.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ass h ALA 1124CO 0.09 -0.20 0.25 -0.91 0.00 0.00 0.00 179.25 178.48 2ass h ASN 1125N -0.20 0.00 0.40 0.00 -0.26 0.10 0.77 115.58 116.40 2ass h ASN 1125Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2ass h ASN 1125Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 2ass h ASN 1125CO 0.01 0.00 -0.07 0.23 -1.06 0.00 0.00 177.43 176.54 2ass n MET 1126N -3.09 0.63 -0.03 0.81 2.81 -0.95 -3.48 117.12 113.80 2ass n MET 1126Ca -0.01 -0.15 0.01 0.00 -1.81 0.00 0.00 57.70 55.74 2ass n MET 1126Cb 0.32 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.23 2ass n MET 1126CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2ass n ILE 1127N -1.06 0.37 -1.73 2.02 5.41 0.26 -4.87 119.36 119.76 2ass n ILE 1127Ca 0.15 -0.40 -0.42 0.00 1.00 0.00 0.00 62.75 63.08 2ass n ILE 1127Cb 0.26 -0.19 -0.01 0.00 -0.71 0.00 0.00 39.64 38.99 2ass n ILE 1127CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2ass n LYS 1128N -2.18 2.50 -1.21 0.38 5.02 -0.92 -2.47 118.16 119.28 2ass n LYS 1128Ca -0.10 0.88 -0.08 0.00 -2.02 0.00 0.00 58.31 56.99 2ass n LYS 1128Cb 0.59 -2.60 -0.03 0.00 -0.02 0.00 0.00 35.03 32.97 2ass n LYS 1128CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ass n GLY 1129N 1.51 0.76 3.42 0.72 0.00 -1.26 -4.96 105.19 105.38 2ass n GLY 1129Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2ass n GLY 1129CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ass s LYS 1130N -2.62 2.81 0.89 1.61 1.02 -1.03 -5.12 119.74 117.30 2ass s LYS 1130Ca 0.00 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.16 2ass s LYS 1130Cb 0.00 -2.44 0.13 0.00 -0.52 0.00 0.00 37.83 35.00 2ass s LYS 1130CO 0.00 0.45 1.10 0.95 -0.92 0.00 0.00 175.35 176.93 2ass s THR 1131N -0.29 2.66 0.45 2.17 -4.23 -1.26 -4.82 115.64 110.32 2ass s THR 1131Ca 0.02 0.21 0.11 0.00 -1.18 0.00 0.00 61.69 60.85 2ass s THR 1131Cb -0.13 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.42 2ass s THR 1131CO 0.03 -0.28 2.09 -0.65 -0.54 0.00 0.00 174.62 175.27 2ass h PRO 1132N -1.61 0.33 0.91 3.99 0.11 -1.99 -1.52 132.00 132.23 2ass h PRO 1132Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2ass h PRO 1132Cb 1.27 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.32 2ass h PRO 1132CO 0.50 0.22 -0.44 1.49 -0.21 0.00 0.00 178.00 179.57 2ass h GLU 1133N 0.34 -1.18 -0.20 1.05 4.81 -2.00 -0.75 114.58 116.64 2ass h GLU 1133Ca 0.09 0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2ass h GLU 1133Cb -0.03 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2ass h GLU 1133CO -0.02 -0.79 0.33 0.93 -0.73 0.00 0.00 179.01 178.74 2ass h GLU 1134N -1.32 0.00 0.00 1.92 5.08 -1.83 -0.98 114.58 117.46 2ass h GLU 1134Ca -0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2ass h GLU 1134Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2ass h GLU 1134CO 0.21 0.00 -0.00 0.82 -1.00 0.00 0.00 179.01 179.03 2ass h ILE 1135N 0.00 1.63 -0.61 3.13 1.08 -0.76 -2.58 117.51 119.40 2ass h ILE 1135Ca 0.10 -1.88 0.12 0.00 -0.39 0.00 0.00 64.86 62.80 2ass h ILE 1135Cb 0.76 2.90 -0.12 0.00 -3.07 0.00 0.00 36.82 37.29 2ass h ILE 1135CO -0.00 0.49 -0.21 0.03 -0.69 0.00 0.00 178.15 177.77 2ass h ARG 1136N -0.81 -0.05 0.00 2.37 -0.00 0.24 -1.72 114.38 114.40 2ass h ARG 1136Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2ass h ARG 1136Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.78 2ass h ARG 1136CO 0.00 -0.04 0.00 1.63 0.00 0.00 0.00 179.97 181.56 2ass n LYS 1137N -5.44 0.00 0.15 0.04 5.02 -1.05 -0.22 118.16 116.66 2ass n LYS 1137Ca 0.07 0.11 0.03 0.00 -2.02 0.00 0.00 58.31 56.50 2ass n LYS 1137Cb 0.34 -0.84 0.15 0.00 -0.02 0.00 0.00 35.03 34.66 2ass n LYS 1137CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ass n THR 1138N -0.84 0.29 0.09 -0.18 -2.24 -0.97 0.17 114.28 110.61 2ass n THR 1138Ca 0.00 0.73 0.01 0.00 -2.27 0.00 0.00 64.05 62.52 2ass n THR 1138Cb 0.00 -1.73 0.01 0.00 -2.10 0.00 0.00 70.33 66.51 2ass n THR 1138CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2ass n PHE 1139N -1.83 0.00 -3.49 4.78 0.99 -0.65 -5.04 117.46 112.22 2ass n PHE 1139Ca -0.00 -0.01 -0.20 0.00 -0.00 0.00 0.00 57.45 57.23 2ass n PHE 1139Cb 0.54 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 39.05 2ass n PHE 1139CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2ass n ASN 1140N 0.12 -6.05 -4.43 4.37 5.15 0.45 -5.02 115.26 109.85 2ass n ASN 1140Ca 0.01 -0.73 -0.26 0.00 -0.60 0.00 0.00 54.58 53.01 2ass n ASN 1140Cb 0.06 -3.80 -0.11 0.00 -0.53 0.00 0.00 39.78 35.40 2ass n ASN 1140CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2ass s ILE 1141N -3.25 2.34 0.00 -1.44 -1.09 0.69 -5.02 121.20 113.42 2ass s ILE 1141Ca 0.27 -2.13 0.00 0.00 -2.23 0.00 0.00 60.65 56.56 2ass s ILE 1141Cb -0.08 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.65 2ass s ILE 1141CO 0.82 -0.22 0.00 1.17 -1.23 0.00 0.00 174.94 175.49 2ass n LYS 1142N 0.02 3.30 0.00 2.79 4.81 -1.26 -4.67 118.16 123.14 2ass n LYS 1142Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 2ass n LYS 1142Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 2ass n LYS 1142CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2ass n ASN 1143N 0.00 0.00 -0.85 3.14 2.85 -1.26 -4.88 115.26 114.26 2ass n ASN 1143Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2ass n ASN 1143Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2ass n ASN 1143CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2ass n ASP 1144N 0.00 1.48 -4.79 1.20 5.75 -1.26 -4.79 116.55 114.14 2ass n ASP 1144Ca 0.00 -1.24 -0.38 0.00 -0.01 0.00 0.00 54.79 53.16 2ass n ASP 1144Cb 0.00 -0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 39.72 2ass n ASP 1144CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2ass s PHE 1145N -0.05 3.64 0.00 2.11 2.99 -1.26 -5.07 117.98 120.34 2ass s PHE 1145Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 56.93 57.87 2ass s PHE 1145Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 43.02 40.63 2ass s PHE 1145CO 0.00 0.46 0.00 2.41 -0.00 0.00 0.00 175.22 178.09 2ass n THR 1146N 2.55 0.00 0.00 0.64 -1.04 -1.26 -4.81 114.28 110.36 2ass n THR 1146Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2ass n THR 1146Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2ass n THR 1146CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ass n GLU 1147N 0.00 4.17 0.05 -2.82 1.02 -1.26 -3.96 120.64 117.83 2ass n GLU 1147Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2ass n GLU 1147Cb 0.00 -0.55 0.12 0.00 -0.02 0.00 0.00 31.44 30.99 2ass n GLU 1147CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2ass h GLU 1148N 0.00 0.39 0.00 3.49 4.57 -1.99 -3.23 114.58 117.81 2ass h GLU 1148Ca 0.00 -0.23 -0.17 0.00 -1.18 0.00 0.00 59.36 57.78 2ass h GLU 1148Cb 0.00 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 2ass h GLU 1148CO 0.00 0.81 -1.62 0.39 -1.18 0.00 0.00 179.01 177.41 2ass n GLU 1149N -3.97 0.26 -0.18 1.92 1.02 -1.26 -3.88 120.64 114.55 2ass n GLU 1149Ca -0.02 0.07 -0.05 0.00 -0.02 0.00 0.00 57.16 57.15 2ass n GLU 1149Cb 0.56 -1.12 -0.04 0.00 -0.02 0.00 0.00 31.44 30.81 2ass n GLU 1149CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ass n GLU 1150N -3.02 -0.19 0.12 3.49 -0.58 -1.25 0.19 120.64 119.40 2ass n GLU 1150Ca -0.20 0.71 -0.00 0.00 -0.42 0.00 0.00 57.16 57.25 2ass n GLU 1150Cb 0.69 -1.04 -0.01 0.00 -0.57 0.00 0.00 31.44 30.50 2ass n GLU 1150CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ass h ALA 1151N 0.16 0.59 0.00 0.62 0.00 -1.83 -3.02 119.26 115.78 2ass h ALA 1151Ca 0.07 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2ass h ALA 1151Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2ass h ALA 1151CO -0.41 0.79 -0.49 0.37 0.00 0.00 0.00 179.25 179.51 2ass h GLN 1152N 0.00 0.00 0.13 0.00 -0.00 0.95 -2.65 115.11 113.54 2ass h GLN 1152Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 2ass h GLN 1152Cb 1.49 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.99 2ass h GLN 1152CO 0.08 0.49 -1.23 0.28 0.00 0.00 0.00 178.83 178.45 2ass h VAL 1153N 0.00 1.37 0.00 2.39 2.07 0.21 -3.14 116.25 119.15 2ass h VAL 1153Ca -0.00 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.83 2ass h VAL 1153Cb 0.95 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2ass h VAL 1153CO 0.06 0.80 0.00 -1.14 0.02 0.00 0.00 177.57 177.31 2ass n ARG 1154N -3.69 0.09 0.10 1.57 0.63 -1.05 -1.61 116.66 112.70 2ass n ARG 1154Ca -0.11 0.42 0.12 0.00 -0.92 0.00 0.00 57.85 57.35 2ass n ARG 1154Cb 0.99 -1.70 0.04 0.00 0.45 0.00 0.00 32.46 32.24 2ass n ARG 1154CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2ass h LYS 1155N 0.00 0.00 0.00 -0.14 3.64 -1.43 -3.24 116.57 115.41 2ass h LYS 1155Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ass h LYS 1155Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2ass h LYS 1155CO 0.00 0.00 -0.65 0.93 -2.27 0.00 0.00 179.45 177.46 2ass h GLU 1156N 0.00 0.00 -0.37 1.90 5.08 -1.37 -3.19 114.58 116.63 2ass h GLU 1156Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2ass h GLU 1156Cb 0.94 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 2ass h GLU 1156CO 0.00 0.00 0.03 0.09 -1.00 0.00 0.00 179.01 178.13 2ass n ASN 1157N -2.17 3.75 -0.15 1.42 3.02 -1.15 -4.59 115.26 115.39 2ass n ASN 1157Ca 0.03 -3.22 -0.09 0.00 -0.03 0.00 0.00 54.58 51.26 2ass n ASN 1157Cb 0.45 -0.60 -0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2ass n ASN 1157CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2ass h GLN 1158N 1.79 0.71 0.00 3.52 1.08 -1.57 -3.16 115.11 117.48 2ass h GLN 1158Ca 0.10 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2ass h GLN 1158Cb 1.65 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.99 2ass h GLN 1158CO 0.35 0.72 0.00 -2.67 -0.95 0.00 0.00 178.83 176.28 2ass n TRP 1159N -4.51 0.00 0.19 2.96 4.27 -1.26 -5.12 117.44 113.98 2ass n TRP 1159Ca 0.00 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.64 2ass n TRP 1159Cb 0.22 0.00 0.02 0.00 -1.36 0.00 0.00 31.31 30.19 2ass n TRP 1159CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40