#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvg s ILE 1004N 0.00 5.15 -0.42 0.44 1.01 -1.26 -4.78 121.20 121.34 1wvg s ILE 1004Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 60.65 59.65 1wvg s ILE 1004Cb 0.00 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1wvg s ILE 1004CO 0.00 -0.56 0.65 -0.62 0.00 0.00 0.00 174.94 174.41 1wvg s ASP 1005N 2.37 6.35 0.11 3.58 2.15 -1.26 -4.94 116.67 125.04 1wvg s ASP 1005Ca 0.07 -0.20 -0.22 0.00 0.43 0.00 0.00 52.55 52.64 1wvg s ASP 1005Cb -0.21 -2.33 -0.09 0.00 -0.30 0.00 0.00 42.92 39.99 1wvg s ASP 1005CO 0.09 -0.74 1.72 0.11 -0.17 0.00 0.00 175.17 176.18 1wvg h LYS 1006N 8.78 0.00 -0.26 4.34 1.57 -1.96 -0.88 116.57 128.16 1wvg h LYS 1006Ca -0.26 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1wvg h LYS 1006Cb 1.10 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1wvg h LYS 1006CO 0.88 0.00 0.18 -0.91 -0.57 0.00 0.00 179.45 179.03 1wvg h ASN 1007N 0.00 0.25 0.08 0.86 4.21 -1.92 0.71 115.58 119.77 1wvg h ASN 1007Ca 0.05 -0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.57 1wvg h ASN 1007Cb 0.07 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 1wvg h ASN 1007CO -0.10 0.17 -0.18 0.15 -1.29 0.00 0.00 177.43 176.19 1wvg h PHE 1008N 0.29 -0.47 -0.39 1.19 3.57 -1.55 -2.93 116.94 116.65 1wvg h PHE 1008Ca 0.10 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1wvg h PHE 1008Cb 0.07 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1wvg h PHE 1008CO -0.00 -0.26 -0.08 -1.49 -2.23 0.00 0.00 178.31 174.25 1wvg h TRP 1009N -0.34 0.71 -0.62 0.41 4.06 -0.75 -3.43 115.95 115.99 1wvg h TRP 1009Ca 0.03 -0.11 -0.76 0.00 2.06 0.00 0.00 58.89 60.11 1wvg h TRP 1009Cb 0.36 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 1wvg h TRP 1009CO -0.19 0.72 1.18 1.04 -3.56 0.00 0.00 178.44 177.63 1wvg n GLN 1010N -4.20 0.40 -0.83 0.49 6.02 0.11 -0.56 117.38 118.81 1wvg n GLN 1010Ca 0.01 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1wvg n GLN 1010Cb 0.33 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1wvg n GLN 1010CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wvg n GLY 1011N 6.26 0.85 3.73 1.08 0.00 0.68 -4.88 105.19 112.91 1wvg n GLY 1011Ca 0.44 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 1wvg n GLY 1011CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvg s LYS 1012N -0.17 4.57 -0.75 1.61 -0.14 0.28 -4.56 119.74 120.58 1wvg s LYS 1012Ca 0.00 1.66 -0.27 0.00 -1.36 0.00 0.00 55.97 56.01 1wvg s LYS 1012Cb 0.00 -3.32 0.03 0.00 -1.68 0.00 0.00 37.83 32.85 1wvg s LYS 1012CO 0.00 0.00 1.31 1.03 -0.76 0.00 0.00 175.35 176.93 1wvg s ARG 1013N 0.14 3.19 -0.21 1.68 0.52 -1.26 0.62 118.95 123.64 1wvg s ARG 1013Ca 0.51 -0.25 -0.04 0.00 -0.52 0.00 0.00 55.73 55.44 1wvg s ARG 1013Cb -0.28 -4.24 -0.01 0.00 0.52 0.00 0.00 34.95 30.94 1wvg s ARG 1013CO 0.32 -2.17 -0.04 0.08 0.02 0.00 0.00 175.30 173.51 1wvg s VAL 1014N 5.82 3.46 -0.23 3.52 1.01 0.54 -0.07 120.40 134.45 1wvg s VAL 1014Ca 0.37 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 1wvg s VAL 1014Cb -0.08 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1wvg s VAL 1014CO 0.14 0.44 0.11 0.12 0.00 0.00 0.00 175.10 175.91 1wvg s PHE 1015N 1.24 3.20 -0.15 5.22 5.36 0.11 -1.80 117.98 131.16 1wvg s PHE 1015Ca 0.03 -0.05 0.02 0.00 -0.96 0.00 0.00 56.93 55.97 1wvg s PHE 1015Cb -0.14 -2.23 0.01 0.00 -0.34 0.00 0.00 43.02 40.32 1wvg s PHE 1015CO -0.01 -0.09 -0.20 0.08 -1.46 0.00 0.00 175.22 173.54 1wvg s VAL 1016N 1.19 2.20 0.13 3.12 1.01 -0.32 0.24 120.40 127.96 1wvg s VAL 1016Ca 0.06 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1wvg s VAL 1016Cb -0.14 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 1wvg s VAL 1016CO 0.04 0.54 0.48 0.42 0.00 0.00 0.00 175.10 176.59 1wvg s THR 1017N 0.91 4.98 -0.80 3.92 -4.23 0.75 -1.76 115.64 119.40 1wvg s THR 1017Ca -0.04 0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 61.00 1wvg s THR 1017Cb -0.15 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 70.02 1wvg s THR 1017CO -0.04 0.20 0.69 0.61 -0.54 0.00 0.00 174.62 175.54 1wvg n GLY 1018N 0.65 0.07 0.23 3.99 0.00 -0.24 -1.37 105.19 108.52 1wvg n GLY 1018Ca -0.05 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1wvg n GLY 1018CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1wvg h HIS 1019N -1.57 0.00 0.00 1.61 -0.00 -1.78 -3.26 115.15 110.15 1wvg h HIS 1019Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 1wvg h HIS 1019Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 1wvg h HIS 1019CO 0.29 0.15 0.00 1.79 -0.00 0.00 0.00 177.93 180.16 1wvg h THR 1020N 0.00 0.00 -2.50 6.12 1.35 -1.86 -2.30 112.91 113.72 1wvg h THR 1020Ca -0.00 -0.62 -0.08 0.00 -0.55 0.00 0.00 66.41 65.16 1wvg h THR 1020Cb 0.80 1.60 0.03 0.00 -1.73 0.00 0.00 68.15 68.85 1wvg h THR 1020CO 0.02 0.00 0.07 0.61 -0.25 0.00 0.00 175.52 175.97 1wvg n GLY 1021N 1.06 -0.94 0.00 5.82 0.00 -1.23 -4.42 105.19 105.47 1wvg n GLY 1021Ca 0.04 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1wvg n GLY 1021CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wvg n PHE 1022N -2.24 0.00 -0.25 1.61 7.35 -1.26 -1.56 117.46 121.10 1wvg n PHE 1022Ca 0.03 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.71 1wvg n PHE 1022Cb 0.10 -0.43 0.18 0.00 0.35 0.00 0.00 39.48 39.69 1wvg n PHE 1022CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1wvg h LYS 1023N 0.00 1.08 -0.71 -4.13 1.57 -1.94 -2.22 116.57 110.22 1wvg h LYS 1023Ca 0.00 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1wvg h LYS 1023Cb 0.00 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1wvg h LYS 1023CO 0.00 0.76 0.43 0.78 -0.57 0.00 0.00 179.45 180.85 1wvg h GLY 1024N 1.12 1.02 0.96 3.86 0.00 -1.68 -0.81 103.07 107.54 1wvg h GLY 1024Ca 0.28 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 1wvg h GLY 1024CO -0.05 0.40 -0.52 1.48 0.00 0.00 0.00 176.54 177.85 1wvg h SER 1025N 0.97 0.72 -0.71 0.19 4.64 -0.68 -0.22 113.55 118.46 1wvg h SER 1025Ca 0.26 -0.61 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1wvg h SER 1025Cb -0.05 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 1wvg h SER 1025CO -0.05 1.20 0.32 -0.50 -0.87 0.00 0.00 176.83 176.94 1wvg h TRP 1026N 0.28 1.06 -0.06 4.77 4.06 -1.10 -1.04 115.95 123.92 1wvg h TRP 1026Ca -0.02 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 1wvg h TRP 1026Cb 1.15 -0.33 -0.00 0.00 -1.00 0.00 0.00 29.16 28.98 1wvg h TRP 1026CO 0.10 0.78 -0.05 1.25 -3.56 0.00 0.00 178.44 176.96 1wvg h LEU 1027N 1.04 0.14 -1.11 -4.49 5.85 -1.12 -2.06 115.31 113.55 1wvg h LEU 1027Ca 0.25 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1wvg h LEU 1027Cb 0.14 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1wvg h LEU 1027CO -0.03 0.59 0.60 0.28 -0.34 0.00 0.00 178.44 179.54 1wvg h SER 1028N -0.31 0.98 0.17 1.25 0.02 -0.90 -0.76 113.55 114.00 1wvg h SER 1028Ca 0.01 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1wvg h SER 1028Cb 0.55 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1wvg h SER 1028CO 0.01 0.66 -0.09 0.25 -1.14 0.00 0.00 176.83 176.53 1wvg h LEU 1029N 1.13 -0.21 -0.90 5.07 5.85 -1.09 -0.56 115.31 124.59 1wvg h LEU 1029Ca 0.37 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.25 1wvg h LEU 1029Cb 0.06 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 41.00 1wvg h LEU 1029CO -0.12 -0.14 -0.32 1.87 -0.34 0.00 0.00 178.44 179.39 1wvg n TRP 1030N -2.69 0.10 0.08 1.25 -0.00 -0.79 0.19 117.44 115.60 1wvg n TRP 1030Ca -0.03 1.11 0.03 0.00 -0.00 0.00 0.00 57.50 58.61 1wvg n TRP 1030Cb 0.09 -0.89 0.42 0.00 -0.00 0.00 0.00 31.31 30.93 1wvg n TRP 1030CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1wvg h LEU 1031N 0.00 0.31 0.15 5.87 3.38 -1.09 0.16 115.31 124.09 1wvg h LEU 1031Ca 0.35 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 58.05 1wvg h LEU 1031Cb 0.57 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1wvg h LEU 1031CO -0.91 0.35 -0.99 0.71 0.09 0.00 0.00 178.44 177.70 1wvg h THR 1032N 0.34 1.43 -1.11 0.22 1.35 0.30 -1.44 112.91 114.00 1wvg h THR 1032Ca 0.08 -2.51 0.35 0.00 -0.55 0.00 0.00 66.41 63.78 1wvg h THR 1032Cb 0.19 3.05 -0.13 0.00 -1.73 0.00 0.00 68.15 69.53 1wvg h THR 1032CO 0.00 0.73 0.67 -0.33 -0.25 0.00 0.00 175.52 176.34 1wvg h GLU 1033N -0.16 0.24 -0.00 4.72 3.07 0.30 0.14 114.58 122.89 1wvg h GLU 1033Ca -0.17 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1wvg h GLU 1033Cb 1.76 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.61 1wvg h GLU 1033CO 0.19 0.16 -0.04 -1.33 -1.40 0.00 0.00 179.01 176.58 1wvg n MET 1034N -4.88 0.78 0.00 2.33 2.81 0.48 -4.93 117.12 113.70 1wvg n MET 1034Ca 0.33 -0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1wvg n MET 1034Cb 1.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.14 1wvg n MET 1034CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wvg n GLY 1035N 1.19 0.76 3.82 3.03 0.00 0.50 -3.04 105.19 111.44 1wvg n GLY 1035Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1wvg n GLY 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wvg s ALA 1036N -2.00 3.29 -0.54 4.61 0.00 -0.56 0.25 121.76 126.81 1wvg s ALA 1036Ca 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 1wvg s ALA 1036Cb 0.00 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.26 1wvg s ALA 1036CO 0.00 0.27 0.69 0.42 0.00 0.00 0.00 175.76 177.13 1wvg s ILE 1037N -1.76 4.79 -0.01 0.00 1.09 0.20 -4.51 121.20 121.00 1wvg s ILE 1037Ca 0.50 -0.55 -0.01 0.00 -1.10 0.00 0.00 60.65 59.49 1wvg s ILE 1037Cb -0.14 -4.39 -0.04 0.00 -1.06 0.00 0.00 42.46 36.83 1wvg s ILE 1037CO 0.19 -0.94 0.11 -0.69 -0.10 0.00 0.00 174.94 173.51 1wvg s VAL 1038N 2.82 4.97 -0.04 2.92 1.01 -1.26 -0.34 120.40 130.48 1wvg s VAL 1038Ca 0.16 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1wvg s VAL 1038Cb -0.20 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1wvg s VAL 1038CO 0.11 0.35 -0.14 -0.75 0.00 0.00 0.00 175.10 174.67 1wvg s LYS 1039N -1.79 1.52 0.13 2.72 2.20 -0.75 -1.41 119.74 122.37 1wvg s LYS 1039Ca 0.24 -0.47 0.07 0.00 -0.36 0.00 0.00 55.97 55.45 1wvg s LYS 1039Cb -0.12 -1.33 -0.04 0.00 -1.51 0.00 0.00 37.83 34.83 1wvg s LYS 1039CO 0.15 0.15 -0.06 0.20 -0.36 0.00 0.00 175.35 175.43 1wvg s GLY 1040N 0.25 1.78 -0.21 5.54 0.00 0.39 -1.18 107.32 113.89 1wvg s GLY 1040Ca -0.06 -1.29 -0.05 0.00 0.00 0.00 0.00 44.72 43.32 1wvg s GLY 1040CO 0.02 -1.29 0.10 -0.47 0.00 0.00 0.00 173.10 171.46 1wvg s TYR 1041N -1.43 0.27 0.30 1.90 6.04 -0.72 -0.34 117.35 123.36 1wvg s TYR 1041Ca 0.24 -0.53 -0.19 0.00 0.04 0.00 0.00 57.07 56.63 1wvg s TYR 1041Cb -0.10 -0.78 0.06 0.00 -1.04 0.00 0.00 41.96 40.10 1wvg s TYR 1041CO 0.16 -0.63 0.88 0.00 -1.54 0.00 0.00 175.55 174.42 1wvg s ALA 1042N 2.11 -1.11 0.81 3.97 0.00 -0.68 -1.08 121.76 125.77 1wvg s ALA 1042Ca 0.04 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 1wvg s ALA 1042Cb -0.16 0.71 0.13 0.00 0.00 0.00 0.00 23.12 23.81 1wvg s ALA 1042CO -0.19 -1.02 1.13 -0.51 0.00 0.00 0.00 175.76 175.17 1wvg s LEU 1043N -3.18 2.82 0.82 0.00 1.43 -1.21 0.87 118.68 120.23 1wvg s LEU 1043Ca 0.17 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1wvg s LEU 1043Cb -0.04 -2.46 0.09 0.00 0.03 0.00 0.00 46.19 43.81 1wvg s LEU 1043CO 0.09 -2.12 1.17 -1.81 0.23 0.00 0.00 176.35 173.90 1wvg s ASP 1044N -4.73 3.66 0.01 2.29 1.01 -1.26 -4.74 116.67 112.91 1wvg s ASP 1044Ca 0.67 2.22 -0.39 0.00 0.71 0.00 0.00 52.55 55.76 1wvg s ASP 1044Cb -0.06 -2.57 -0.20 0.00 1.01 0.00 0.00 42.92 41.10 1wvg s ASP 1044CO 0.48 -2.62 1.04 0.00 0.21 0.00 0.00 175.17 174.28 1wvg n ALA 1045N -3.50 -3.61 0.35 5.23 0.00 -1.26 -4.81 120.51 112.91 1wvg n ALA 1045Ca 0.12 0.59 0.14 0.00 0.00 0.00 0.00 53.44 54.29 1wvg n ALA 1045Cb 0.51 -1.75 0.58 0.00 0.00 0.00 0.00 19.45 18.79 1wvg n ALA 1045CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wvg h PRO 1046N 2.88 0.00 -4.90 0.00 0.13 -1.88 -3.46 132.00 124.78 1wvg h PRO 1046Ca -0.50 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.19 1wvg h PRO 1046Cb 1.43 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.42 1wvg h PRO 1046CO 0.65 0.00 -0.53 0.95 -0.23 0.00 0.00 178.00 178.83 1wvg s THR 1047N -3.46 0.25 -0.21 1.56 -4.23 -1.26 -5.08 115.64 103.20 1wvg s THR 1047Ca 0.03 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.50 1wvg s THR 1047Cb 0.09 -2.48 0.10 0.00 1.34 0.00 0.00 72.50 71.55 1wvg s THR 1047CO 0.43 0.00 0.22 -0.69 -0.54 0.00 0.00 174.62 174.05 1wvg s VAL 1048N -3.53 -0.32 1.03 2.29 1.01 -1.26 -3.60 120.40 116.02 1wvg s VAL 1048Ca 0.35 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 1wvg s VAL 1048Cb 0.04 -0.72 0.20 0.00 0.00 0.00 0.00 36.38 35.90 1wvg s VAL 1048CO 0.20 -0.25 1.09 -2.16 0.00 0.00 0.00 175.10 173.98 1wvg s PRO 1049N 2.32 0.21 -0.06 2.72 0.04 -1.26 -5.06 135.00 133.91 1wvg s PRO 1049Ca 0.07 0.45 -0.01 0.00 0.04 0.00 0.00 61.00 61.56 1wvg s PRO 1049Cb -0.16 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.69 1wvg s PRO 1049CO -0.15 -2.86 0.01 -1.54 0.04 0.00 0.00 177.00 172.49 1wvg s SER 1050N -3.47 1.29 0.30 6.66 1.04 -1.24 -4.57 113.70 113.71 1wvg s SER 1050Ca 0.66 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 57.09 1wvg s SER 1050Cb -0.18 -0.36 0.75 0.00 0.10 0.00 0.00 66.02 66.33 1wvg s SER 1050CO 0.58 -0.17 1.77 0.25 0.98 0.00 0.00 173.24 176.64 1wvg h LEU 1051N 8.07 0.75 -0.44 2.42 5.85 -1.90 0.30 115.31 130.36 1wvg h LEU 1051Ca -0.24 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1wvg h LEU 1051Cb 1.13 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 1wvg h LEU 1051CO 0.30 0.24 -0.21 0.15 -0.34 0.00 0.00 178.44 178.57 1wvg h PHE 1052N 0.72 -0.53 0.02 1.25 3.57 -1.85 -0.55 116.94 119.57 1wvg h PHE 1052Ca 0.59 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 62.13 1wvg h PHE 1052Cb 0.95 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1wvg h PHE 1052CO -0.01 -0.29 -0.01 0.93 -2.23 0.00 0.00 178.31 176.70 1wvg h GLU 1053N -0.12 -0.03 -1.25 1.11 4.39 -1.04 -2.82 114.58 114.82 1wvg h GLU 1053Ca 0.21 0.00 0.39 0.00 0.34 0.00 0.00 59.36 60.30 1wvg h GLU 1053Cb 0.45 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.99 1wvg h GLU 1053CO -0.52 0.55 0.81 0.82 -1.16 0.00 0.00 179.01 179.51 1wvg h ILE 1054N -0.64 0.24 -0.52 3.13 2.04 -0.20 1.30 117.51 122.86 1wvg h ILE 1054Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1wvg h ILE 1054Cb 0.60 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1wvg h ILE 1054CO 0.01 0.03 0.00 1.33 0.00 0.00 0.00 178.15 179.52 1wvg n VAL 1055N -4.64 0.68 -3.76 1.67 0.24 -0.25 -4.56 118.33 107.72 1wvg n VAL 1055Ca 0.34 -0.83 -0.24 0.00 -2.04 0.00 0.00 64.34 61.56 1wvg n VAL 1055Cb 1.28 0.79 0.03 0.00 -1.47 0.00 0.00 33.84 34.47 1wvg n VAL 1055CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1wvg n ARG 1056N 1.55 -5.13 0.18 7.34 0.63 0.45 -4.80 116.66 116.87 1wvg n ARG 1056Ca 0.21 0.62 0.08 0.00 -0.92 0.00 0.00 57.85 57.84 1wvg n ARG 1056Cb 0.61 -5.27 0.60 0.00 0.45 0.00 0.00 32.46 28.85 1wvg n ARG 1056CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1wvg h LEU 1057N -1.95 0.10 -1.02 6.15 3.38 -1.72 -2.38 115.31 117.87 1wvg h LEU 1057Ca -0.60 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1wvg h LEU 1057Cb 1.36 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1wvg h LEU 1057CO 0.59 0.07 0.05 -3.20 0.09 0.00 0.00 178.44 176.05 1wvg n ASN 1058N -4.51 0.40 -0.01 -0.43 4.05 -1.26 -1.49 115.26 112.00 1wvg n ASN 1058Ca -0.00 0.66 -0.18 0.00 0.45 0.00 0.00 54.58 55.50 1wvg n ASN 1058Cb 0.14 -0.70 -0.14 0.00 1.23 0.00 0.00 39.78 40.31 1wvg n ASN 1058CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 1wvg h ASP 1059N 0.00 0.26 0.90 1.20 3.32 -1.80 -3.34 116.42 116.96 1wvg h ASP 1059Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.14 1wvg h ASP 1059Cb 0.11 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1wvg h ASP 1059CO 0.00 1.32 0.00 -0.07 -1.72 0.00 0.00 179.24 178.77 1wvg h LEU 1060N -0.62 0.00 -7.60 1.55 4.07 -1.38 -3.46 115.31 107.87 1wvg h LEU 1060Ca -0.14 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.75 1wvg h LEU 1060Cb 1.42 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 43.03 1wvg h LEU 1060CO 0.05 0.00 -0.19 0.00 -1.08 0.00 0.00 178.44 177.23 1wvg s MET 1061N -3.39 1.02 0.14 1.13 0.23 -0.57 -4.84 119.30 113.01 1wvg s MET 1061Ca 0.04 -0.84 -0.30 0.00 -1.03 0.00 0.00 55.69 53.56 1wvg s MET 1061Cb 0.09 0.42 -0.07 0.00 -1.53 0.00 0.00 34.83 33.74 1wvg s MET 1061CO 0.46 -0.38 1.16 -2.00 -2.03 0.00 0.00 175.02 172.23 1wvg s GLU 1062N -3.84 4.51 -0.06 3.16 2.12 -0.50 -4.58 118.70 119.51 1wvg s GLU 1062Ca 0.05 1.79 0.01 0.00 0.36 0.00 0.00 54.97 57.17 1wvg s GLU 1062Cb 0.03 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.15 1wvg s GLU 1062CO -0.10 -0.09 -0.04 0.45 -0.54 0.00 0.00 175.26 174.94 1wvg s SER 1063N 0.35 1.22 -0.17 -1.70 0.15 -1.26 -0.46 113.70 111.82 1wvg s SER 1063Ca 0.53 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 57.02 1wvg s SER 1063Cb -0.30 -0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 63.49 1wvg s SER 1063CO 0.34 -0.08 -0.09 -2.28 1.20 0.00 0.00 173.24 172.33 1wvg s HIS 1064N 1.16 2.89 -0.22 3.44 2.46 0.54 -4.93 115.29 120.64 1wvg s HIS 1064Ca -0.07 -0.78 -0.17 0.00 0.47 0.00 0.00 55.06 54.50 1wvg s HIS 1064Cb -0.14 -1.97 -0.03 0.00 -0.13 0.00 0.00 32.58 30.31 1wvg s HIS 1064CO -0.01 -0.36 0.47 0.42 -2.47 0.00 0.00 174.74 172.79 1wvg s ILE 1065N 0.86 5.13 -0.06 0.89 -1.09 -1.26 -1.69 121.20 123.99 1wvg s ILE 1065Ca -0.02 0.84 -0.31 0.00 -2.23 0.00 0.00 60.65 58.93 1wvg s ILE 1065Cb -0.15 -3.80 0.11 0.00 -1.58 0.00 0.00 42.46 37.05 1wvg s ILE 1065CO 0.01 0.18 1.00 -0.83 -1.23 0.00 0.00 174.94 174.06 1wvg s GLY 1066N 1.23 -0.40 -0.11 6.18 0.00 0.25 -4.87 107.32 109.59 1wvg s GLY 1066Ca 0.21 1.18 -0.21 0.00 0.00 0.00 0.00 44.72 45.90 1wvg s GLY 1066CO 0.09 0.39 0.61 -0.35 0.00 0.00 0.00 173.10 173.84 1wvg s ASP 1067N -2.40 6.82 0.55 1.64 -1.08 -1.26 -3.31 116.67 117.63 1wvg s ASP 1067Ca 0.07 0.99 0.23 0.00 -0.52 0.00 0.00 52.55 53.32 1wvg s ASP 1067Cb -0.01 -2.36 1.47 0.00 -1.46 0.00 0.00 42.92 40.56 1wvg s ASP 1067CO -0.07 -0.11 2.13 -0.29 0.52 0.00 0.00 175.17 177.34 1wvg h ILE 1068N 4.84 0.76 0.00 4.11 6.09 -1.96 -1.26 117.51 130.09 1wvg h ILE 1068Ca -0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 1wvg h ILE 1068Cb 1.18 0.91 0.00 0.00 0.47 0.00 0.00 36.82 39.38 1wvg h ILE 1068CO 0.76 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 176.38 1wvg n ARG 1069N -4.24 0.69 -3.43 2.19 1.74 -1.26 -4.32 116.66 108.04 1wvg n ARG 1069Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.65 1wvg n ARG 1069Cb 0.24 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 1wvg n ARG 1069CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wvg s ASP 1070N -2.03 6.44 0.17 0.55 -1.08 -0.48 -4.94 116.67 115.30 1wvg s ASP 1070Ca 0.34 -2.83 -0.21 0.00 -0.52 0.00 0.00 52.55 49.32 1wvg s ASP 1070Cb 0.16 -2.12 0.09 0.00 -1.46 0.00 0.00 42.92 39.59 1wvg s ASP 1070CO 0.27 -0.49 1.60 0.15 0.52 0.00 0.00 175.17 177.22 1wvg h PHE 1071N 7.46 -0.84 0.04 -5.34 3.57 -1.86 0.18 116.94 120.15 1wvg h PHE 1071Ca 0.09 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1wvg h PHE 1071Cb 1.00 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 1wvg h PHE 1071CO 0.94 -0.37 -0.11 0.93 -2.23 0.00 0.00 178.31 177.47 1wvg h GLU 1072N -0.20 -0.21 -0.56 1.11 4.39 -1.96 1.19 114.58 118.34 1wvg h GLU 1072Ca 0.20 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.94 1wvg h GLU 1072Cb 0.53 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1wvg h GLU 1072CO -0.58 -0.14 0.34 0.87 -1.16 0.00 0.00 179.01 178.34 1wvg h LYS 1073N -0.21 0.64 -0.11 2.33 1.57 -1.88 0.31 116.57 119.22 1wvg h LYS 1073Ca 0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wvg h LYS 1073Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1wvg h LYS 1073CO -0.09 0.43 0.07 1.25 -0.57 0.00 0.00 179.45 180.53 1wvg h LEU 1074N 0.66 0.14 -0.31 2.94 5.85 -0.06 0.14 115.31 124.68 1wvg h LEU 1074Ca 0.23 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1wvg h LEU 1074Cb 0.03 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1wvg h LEU 1074CO -0.10 0.15 0.04 -0.09 -0.34 0.00 0.00 178.44 178.10 1wvg h ARG 1075N 0.12 0.14 -0.06 1.25 2.43 0.22 -2.55 114.38 115.93 1wvg h ARG 1075Ca 0.04 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1wvg h ARG 1075Cb 0.03 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1wvg h ARG 1075CO -0.01 0.10 -0.15 1.03 -1.51 0.00 0.00 179.97 179.42 1wvg h SER 1076N 0.15 -0.46 -0.96 -3.80 0.87 -0.11 -0.39 113.55 108.85 1wvg h SER 1076Ca 0.14 0.08 0.13 0.00 -1.23 0.00 0.00 61.79 60.91 1wvg h SER 1076Cb 0.17 0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.25 1wvg h SER 1076CO -0.20 -0.21 0.61 -1.28 -0.53 0.00 0.00 176.83 175.22 1wvg h SER 1077N -0.23 0.83 0.03 6.23 0.87 -0.46 -1.41 113.55 119.42 1wvg h SER 1077Ca 0.07 0.04 -0.25 0.00 -1.23 0.00 0.00 61.79 60.43 1wvg h SER 1077Cb 0.32 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1wvg h SER 1077CO -0.19 0.44 -0.99 0.40 -0.53 0.00 0.00 176.83 175.96 1wvg h ILE 1078N 0.89 1.32 -0.75 2.23 2.04 -1.04 -3.15 117.51 119.05 1wvg h ILE 1078Ca 0.48 -2.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.02 1wvg h ILE 1078Cb 0.56 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.13 1wvg h ILE 1078CO -0.24 0.69 0.28 0.00 0.00 0.00 0.00 178.15 178.87 1wvg h ALA 1079N 0.35 1.08 -0.93 1.87 0.00 -0.68 0.42 119.26 121.37 1wvg h ALA 1079Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wvg h ALA 1079Cb 1.67 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1wvg h ALA 1079CO 0.19 0.64 0.59 0.93 0.00 0.00 0.00 179.25 181.61 1wvg h GLU 1080N 1.09 1.24 0.13 0.00 5.08 -1.36 -3.16 114.58 117.60 1wvg h GLU 1080Ca 0.25 -0.09 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 1wvg h GLU 1080Cb 0.24 -0.27 0.02 0.00 0.50 0.00 0.00 28.75 29.24 1wvg h GLU 1080CO -0.02 0.84 -1.26 0.35 -1.00 0.00 0.00 179.01 177.93 1wvg h PHE 1081N 1.27 0.89 -5.79 4.33 3.57 -1.28 -3.49 116.94 116.43 1wvg h PHE 1081Ca 0.34 -0.58 -0.36 0.00 3.53 0.00 0.00 57.97 60.90 1wvg h PHE 1081Cb -0.11 -0.06 0.13 0.00 2.79 0.00 0.00 35.95 38.70 1wvg h PHE 1081CO -0.00 1.43 -0.77 1.63 -2.23 0.00 0.00 178.31 178.37 1wvg n LYS 1082N -3.73 -6.44 -0.67 1.11 5.02 0.14 -4.96 118.16 108.62 1wvg n LYS 1082Ca -0.13 0.79 -0.29 0.00 -2.02 0.00 0.00 58.31 56.66 1wvg n LYS 1082Cb 1.00 -5.72 0.26 0.00 -0.02 0.00 0.00 35.03 30.54 1wvg n LYS 1082CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wvg s PRO 1083N -5.67 -1.62 0.00 1.97 0.04 -1.26 -4.92 135.00 123.54 1wvg s PRO 1083Ca 0.11 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1wvg s PRO 1083Cb -0.05 -1.51 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1wvg s PRO 1083CO 0.75 -4.06 0.00 0.39 0.04 0.00 0.00 177.00 174.12 1wvg n GLU 1084N -5.08 1.45 -4.48 4.56 1.02 0.90 -4.36 120.64 114.66 1wvg n GLU 1084Ca 0.09 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.00 1wvg n GLU 1084Cb 0.58 -0.87 -0.16 0.00 -0.02 0.00 0.00 31.44 30.97 1wvg n GLU 1084CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wvg s ILE 1085N -1.61 0.96 -0.07 -3.67 1.01 -1.18 -0.52 121.20 116.11 1wvg s ILE 1085Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1wvg s ILE 1085Cb 0.00 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.61 1wvg s ILE 1085CO 0.00 0.31 -0.11 -0.69 0.00 0.00 0.00 174.94 174.44 1wvg s VAL 1086N 0.56 1.12 -0.24 2.92 1.01 0.46 0.08 120.40 126.31 1wvg s VAL 1086Ca -0.11 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1wvg s VAL 1086Cb -0.14 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1wvg s VAL 1086CO 0.02 0.36 -0.04 -0.36 0.00 0.00 0.00 175.10 175.08 1wvg s PHE 1087N 0.84 3.01 -0.47 5.22 0.40 0.14 -0.76 117.98 126.35 1wvg s PHE 1087Ca -0.11 -1.19 -0.17 0.00 -0.60 0.00 0.00 56.93 54.86 1wvg s PHE 1087Cb -0.15 -2.10 0.06 0.00 0.51 0.00 0.00 43.02 41.34 1wvg s PHE 1087CO 0.02 -0.63 0.45 -1.58 0.70 0.00 0.00 175.22 174.18 1wvg s HIS 1088N 1.42 3.19 0.00 0.36 2.46 0.11 -0.18 115.29 122.65 1wvg s HIS 1088Ca 0.03 -0.77 0.00 0.00 0.47 0.00 0.00 55.06 54.80 1wvg s HIS 1088Cb -0.15 -3.21 0.00 0.00 -0.13 0.00 0.00 32.58 29.08 1wvg s HIS 1088CO -0.04 -0.84 0.54 -1.33 -2.47 0.00 0.00 174.74 170.60 1wvg n MET 1089N 5.48 0.54 -2.02 2.88 2.81 -0.47 -1.62 117.12 124.73 1wvg n MET 1089Ca -0.10 -0.68 -0.42 0.00 -1.81 0.00 0.00 57.70 54.68 1wvg n MET 1089Cb 0.45 -0.80 -0.03 0.00 -0.71 0.00 0.00 33.22 32.13 1wvg n MET 1089CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wvg s ALA 1090N -0.28 3.62 0.07 3.04 0.00 -1.17 -4.61 121.76 122.43 1wvg s ALA 1090Ca 0.00 0.95 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 1wvg s ALA 1090Cb 0.00 -3.73 0.06 0.00 0.00 0.00 0.00 23.12 19.45 1wvg s ALA 1090CO 0.00 -1.34 0.60 0.00 0.00 0.00 0.00 175.76 175.02 1wvg s ALA 1091N 3.81 -1.57 -0.51 0.00 0.00 -1.26 -4.80 121.76 117.44 1wvg s ALA 1091Ca 0.73 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 53.25 1wvg s ALA 1091Cb -0.34 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.32 1wvg s ALA 1091CO 0.29 -0.58 0.66 -1.14 0.00 0.00 0.00 175.76 175.00 1wvg s GLN 1092N -2.64 3.15 0.00 0.00 -0.44 -1.26 -4.95 119.66 113.52 1wvg s GLN 1092Ca -0.04 -0.79 0.25 0.00 -2.50 0.00 0.00 55.36 52.27 1wvg s GLN 1092Cb -0.01 -4.08 0.50 0.00 -1.64 0.00 0.00 33.01 27.78 1wvg s GLN 1092CO -0.03 -1.24 1.40 -0.35 0.50 0.00 0.00 175.29 175.57 1wvg n PRO 1093N 6.32 0.69 -3.43 1.67 -0.04 -1.26 -4.92 135.00 134.02 1wvg n PRO 1093Ca -0.05 -0.46 -0.37 0.00 -0.04 0.00 0.00 63.50 62.57 1wvg n PRO 1093Cb 0.46 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 1wvg n PRO 1093CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wvg s LEU 1094N -2.62 4.28 0.05 1.53 1.02 -1.26 -4.96 118.68 116.72 1wvg s LEU 1094Ca 0.20 0.69 -0.20 0.00 0.02 0.00 0.00 54.13 54.84 1wvg s LEU 1094Cb 0.18 -2.54 -0.13 0.00 0.02 0.00 0.00 46.19 43.73 1wvg s LEU 1094CO 0.59 0.08 1.39 0.58 0.02 0.00 0.00 176.35 179.01 1wvg h VAL 1095N 4.59 1.32 -0.22 -1.59 2.07 -1.98 -0.56 116.25 119.87 1wvg h VAL 1095Ca -0.42 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 65.98 1wvg h VAL 1095Cb 1.18 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.62 1wvg h VAL 1095CO 0.74 0.35 -0.28 0.08 0.02 0.00 0.00 177.57 178.47 1wvg h ARG 1096N 0.02 -0.29 0.24 1.57 0.11 -2.02 -0.84 114.38 113.17 1wvg h ARG 1096Ca 0.03 0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 1wvg h ARG 1096Cb 0.59 0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.73 1wvg h ARG 1096CO 0.03 -0.20 -0.13 1.25 0.10 0.00 0.00 179.97 181.02 1wvg h LEU 1097N -0.31 -0.31 -1.30 0.08 6.46 -1.97 -2.63 115.31 115.34 1wvg h LEU 1097Ca 0.13 0.01 0.40 0.00 -0.12 0.00 0.00 57.88 58.30 1wvg h LEU 1097Cb 0.50 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.44 1wvg h LEU 1097CO -0.40 -0.21 0.90 -1.54 -0.62 0.00 0.00 178.44 176.57 1wvg n SER 1098N -5.24 0.07 0.08 1.25 3.41 -0.22 0.22 113.62 113.18 1wvg n SER 1098Ca -0.09 0.89 -0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1wvg n SER 1098Cb 0.16 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.62 1wvg n SER 1098CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1wvg h TYR 1099N 0.00 0.55 0.05 7.33 -1.99 -1.04 -2.72 116.97 119.14 1wvg h TYR 1099Ca 0.69 -0.31 -0.29 0.00 2.00 0.00 0.00 58.73 60.82 1wvg h TYR 1099Cb 2.55 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 41.19 1wvg h TYR 1099CO -0.00 1.15 -1.60 0.93 -0.00 0.00 0.00 178.16 178.63 1wvg h GLU 1100N 0.19 0.10 -1.84 4.88 4.39 0.26 -3.39 114.58 119.17 1wvg h GLU 1100Ca -0.08 -0.17 -0.63 0.00 0.34 0.00 0.00 59.36 58.82 1wvg h GLU 1100Cb 1.62 0.06 -0.39 0.00 -0.10 0.00 0.00 28.75 29.95 1wvg h GLU 1100CO 0.16 0.82 -0.33 1.04 -1.16 0.00 0.00 179.01 179.54 1wvg n GLN 1101N -3.25 3.43 -0.19 2.33 1.13 0.35 -4.91 117.38 116.26 1wvg n GLN 1101Ca -0.16 -4.48 -0.01 0.00 -1.94 0.00 0.00 57.00 50.41 1wvg n GLN 1101Cb 1.03 -2.27 0.09 0.00 0.11 0.00 0.00 30.24 29.21 1wvg n GLN 1101CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1wvg h PRO 1102N 2.85 0.39 -0.64 -1.09 0.13 -1.69 -1.12 132.00 130.84 1wvg h PRO 1102Ca 0.31 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.47 1wvg h PRO 1102Cb 0.64 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.63 1wvg h PRO 1102CO 0.95 0.26 0.36 0.82 -0.23 0.00 0.00 178.00 180.16 1wvg h ILE 1103N 0.41 0.99 -0.30 -3.56 2.04 -1.91 -0.75 117.51 114.43 1wvg h ILE 1103Ca 0.28 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1wvg h ILE 1103Cb 0.32 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1wvg h ILE 1103CO -0.28 0.13 0.18 0.50 0.00 0.00 0.00 178.15 178.68 1wvg h LYS 1104N 0.69 0.40 -0.15 2.37 3.64 -1.81 0.17 116.57 121.87 1wvg h LYS 1104Ca 0.28 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1wvg h LYS 1104Cb 0.14 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1wvg h LYS 1104CO -0.16 0.30 0.04 1.15 -2.27 0.00 0.00 179.45 178.51 1wvg h THR 1105N 0.38 0.95 -0.20 1.00 2.02 -0.53 -1.17 112.91 115.36 1wvg h THR 1105Ca 0.11 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 1wvg h THR 1105Cb 0.00 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1wvg h THR 1105CO -0.02 0.02 -0.04 1.88 0.37 0.00 0.00 175.52 177.73 1wvg h TYR 1106N 0.10 0.43 -0.81 3.16 -1.99 -1.03 0.37 116.97 117.20 1wvg h TYR 1106Ca 0.06 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 1wvg h TYR 1106Cb 0.05 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 38.64 1wvg h TYR 1106CO -0.12 0.62 0.36 0.66 -0.00 0.00 0.00 178.16 179.69 1wvg h SER 1107N 0.11 1.08 0.55 3.88 4.64 -0.91 0.53 113.55 123.42 1wvg h SER 1107Ca 0.05 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1wvg h SER 1107Cb 0.48 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1wvg h SER 1107CO 0.02 0.93 -0.26 0.74 -0.87 0.00 0.00 176.83 177.38 1wvg h THR 1108N 1.16 0.17 -0.60 2.95 2.02 -1.10 -1.81 112.91 115.70 1wvg h THR 1108Ca 0.28 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 1wvg h THR 1108Cb 0.16 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1wvg h THR 1108CO -0.03 0.03 0.05 0.78 0.37 0.00 0.00 175.52 176.72 1wvg h ASN 1109N -1.12 1.00 0.00 4.18 2.35 -0.17 -2.34 115.58 119.49 1wvg h ASN 1109Ca -0.08 -0.29 -0.18 0.00 -0.55 0.00 0.00 56.30 55.21 1wvg h ASN 1109Cb 0.61 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1wvg h ASN 1109CO 0.12 1.04 -1.31 0.52 -1.65 0.00 0.00 177.43 176.14 1wvg n VAL 1110N -4.24 1.50 -0.14 2.81 0.31 0.18 -3.78 118.33 114.96 1wvg n VAL 1110Ca 0.03 -0.01 0.01 0.00 -0.01 0.00 0.00 64.34 64.36 1wvg n VAL 1110Cb 0.31 -2.16 0.29 0.00 -0.91 0.00 0.00 33.84 31.38 1wvg n VAL 1110CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1wvg h MET 1111N -1.00 0.84 -0.81 5.55 2.86 -1.15 -0.70 114.93 120.52 1wvg h MET 1111Ca -0.27 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1wvg h MET 1111Cb 1.11 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 1wvg h MET 1111CO -0.17 0.58 0.49 0.78 1.06 0.00 0.00 176.91 179.65 1wvg h GLY 1112N 0.88 1.17 0.92 8.32 0.00 -0.82 0.52 103.07 114.06 1wvg h GLY 1112Ca 0.23 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1wvg h GLY 1112CO -0.04 0.47 -0.09 -0.84 0.00 0.00 0.00 176.54 176.03 1wvg h THR 1113N 1.12 1.28 -0.46 4.70 2.02 -1.37 0.76 112.91 120.96 1wvg h THR 1113Ca 0.29 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1wvg h THR 1113Cb -0.04 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1wvg h THR 1113CO -0.05 0.37 0.30 0.58 0.37 0.00 0.00 175.52 177.09 1wvg h VAL 1114N 0.41 1.12 0.08 3.16 2.07 -0.78 -0.66 116.25 121.66 1wvg h VAL 1114Ca 0.08 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1wvg h VAL 1114Cb 0.59 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1wvg h VAL 1114CO 0.03 0.12 -0.18 0.45 0.02 0.00 0.00 177.57 178.01 1wvg h HIS 1115N 0.63 -0.48 -0.04 1.57 3.86 -0.68 0.17 115.15 120.18 1wvg h HIS 1115Ca 0.17 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1wvg h HIS 1115Cb -0.06 0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1wvg h HIS 1115CO -0.04 -0.27 -0.03 1.25 0.86 0.00 0.00 177.93 179.70 1wvg h LEU 1116N -0.34 -0.10 -1.08 2.43 7.12 -0.65 -1.06 115.31 121.63 1wvg h LEU 1116Ca 0.03 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.97 1wvg h LEU 1116Cb 0.37 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1wvg h LEU 1116CO -0.12 -0.05 -0.33 -0.07 -0.13 0.00 0.00 178.44 177.75 1wvg h LEU 1117N -0.04 0.24 -0.73 2.25 3.38 -0.90 -0.92 115.31 118.59 1wvg h LEU 1117Ca 0.03 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1wvg h LEU 1117Cb 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1wvg h LEU 1117CO -0.06 0.56 -0.47 -0.08 0.09 0.00 0.00 178.44 178.48 1wvg h GLU 1118N 0.20 0.40 -0.01 1.13 4.57 -0.38 -1.61 114.58 118.88 1wvg h GLU 1118Ca 0.03 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1wvg h GLU 1118Cb 0.68 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1wvg h GLU 1118CO 0.05 0.78 0.00 1.79 -1.18 0.00 0.00 179.01 180.46 1wvg h THR 1119N 0.32 1.21 -0.93 0.32 1.35 -0.75 0.91 112.91 115.34 1wvg h THR 1119Ca 0.02 -0.62 0.14 0.00 -0.55 0.00 0.00 66.41 65.40 1wvg h THR 1119Cb 0.94 1.61 -0.08 0.00 -1.73 0.00 0.00 68.15 68.90 1wvg h THR 1119CO 0.08 0.16 0.59 0.58 -0.25 0.00 0.00 175.52 176.69 1wvg h VAL 1120N -0.24 0.85 0.50 6.82 2.07 -1.15 0.44 116.25 125.55 1wvg h VAL 1120Ca 0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1wvg h VAL 1120Cb 0.26 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1wvg h VAL 1120CO 0.00 0.14 -0.24 0.50 0.02 0.00 0.00 177.57 177.99 1wvg h LYS 1121N 0.78 -0.65 -0.35 1.57 3.64 -0.62 -2.64 116.57 118.31 1wvg h LYS 1121Ca 0.47 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.88 1wvg h LYS 1121Cb 0.66 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1wvg h LYS 1121CO -0.23 -0.35 0.18 1.96 -2.27 0.00 0.00 179.45 178.73 1wvg h GLN 1122N -0.87 0.50 0.48 1.90 4.20 -0.30 -3.29 115.11 117.74 1wvg h GLN 1122Ca -0.07 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1wvg h GLN 1122Cb 0.59 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1wvg h GLN 1122CO 0.11 0.44 -0.35 0.28 -0.67 0.00 0.00 178.83 178.65 1wvg h VAL 1123N 0.43 0.00 0.00 -0.54 2.07 -1.01 -3.50 116.25 113.70 1wvg h VAL 1123Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wvg h VAL 1123Cb 0.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1wvg h VAL 1123CO -0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.18 1wvg n GLY 1124N -1.42 0.25 2.43 2.17 0.00 -0.99 -5.03 105.19 102.60 1wvg n GLY 1124Ca -0.10 -2.04 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 1wvg n GLY 1124CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wvg n ASN 1125N -0.14 -4.85 -4.39 1.61 3.02 -1.26 -4.95 115.26 104.30 1wvg n ASN 1125Ca 0.00 0.33 -0.37 0.00 -0.03 0.00 0.00 54.58 54.51 1wvg n ASN 1125Cb 0.00 -3.76 -0.13 0.00 -0.61 0.00 0.00 39.78 35.28 1wvg n ASN 1125CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wvg s ILE 1126N -2.61 4.09 -0.07 2.41 1.09 -1.26 -4.38 121.20 120.47 1wvg s ILE 1126Ca 0.00 -0.45 0.14 0.00 -1.10 0.00 0.00 60.65 59.24 1wvg s ILE 1126Cb 0.00 -3.01 -0.18 0.00 -1.06 0.00 0.00 42.46 38.22 1wvg s ILE 1126CO 0.00 0.21 0.81 0.11 -0.10 0.00 0.00 174.94 175.98 1wvg h LYS 1127N 8.23 0.00 -3.16 2.79 1.79 -0.98 -3.35 116.57 121.90 1wvg h LYS 1127Ca -0.35 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.85 1wvg h LYS 1127Cb 1.15 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.46 1wvg h LYS 1127CO 0.60 0.45 -0.62 0.00 -1.08 0.00 0.00 179.45 178.79 1wvg s ALA 1128N -2.75 -0.21 -0.12 3.86 0.00 -0.83 -1.52 121.76 120.19 1wvg s ALA 1128Ca -0.03 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1wvg s ALA 1128Cb 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1wvg s ALA 1128CO 0.82 -0.39 -0.23 0.08 0.00 0.00 0.00 175.76 176.04 1wvg s VAL 1129N 1.81 2.05 -0.31 0.00 1.01 -0.30 -0.41 120.40 124.26 1wvg s VAL 1129Ca -0.02 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1wvg s VAL 1129Cb -0.12 -1.79 0.07 0.00 0.00 0.00 0.00 36.38 34.54 1wvg s VAL 1129CO -0.06 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.90 1wvg s VAL 1130N 0.56 2.54 -0.37 2.92 1.01 0.06 -1.92 120.40 125.19 1wvg s VAL 1130Ca -0.14 -1.80 -0.19 0.00 0.00 0.00 0.00 61.98 59.86 1wvg s VAL 1130Cb -0.17 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1wvg s VAL 1130CO 0.04 -0.27 0.54 0.21 0.00 0.00 0.00 175.10 175.62 1wvg s ASN 1131N 1.17 6.32 -0.31 3.32 2.47 0.67 -0.71 114.94 127.87 1wvg s ASN 1131Ca -0.01 -0.13 -0.27 0.00 0.42 0.00 0.00 52.86 52.87 1wvg s ASN 1131Cb -0.20 -2.28 0.01 0.00 -1.45 0.00 0.00 41.25 37.33 1wvg s ASN 1131CO -0.05 -0.55 0.96 -0.63 -3.72 0.00 0.00 177.10 173.11 1wvg s ILE 1132N 2.47 4.63 0.00 -5.21 1.09 -0.64 -0.50 121.20 123.05 1wvg s ILE 1132Ca 0.19 1.55 0.00 0.00 -1.10 0.00 0.00 60.65 61.29 1wvg s ILE 1132Cb -0.15 -4.30 0.00 0.00 -1.06 0.00 0.00 42.46 36.94 1wvg s ILE 1132CO 0.14 -0.37 0.00 0.35 -0.10 0.00 0.00 174.94 174.97 1wvg n THR 1133N 5.69 0.00 -3.62 2.92 -2.24 -0.18 -4.85 114.28 112.00 1wvg n THR 1133Ca 0.09 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.83 1wvg n THR 1133Cb 0.47 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1wvg n THR 1133CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wvg s SER 1134N -0.08 -0.09 0.48 3.42 0.15 -1.26 -4.83 113.70 111.50 1wvg s SER 1134Ca 0.00 0.04 0.32 0.00 0.70 0.00 0.00 55.95 57.01 1wvg s SER 1134Cb 0.00 0.08 1.52 0.00 -1.71 0.00 0.00 66.02 65.91 1wvg s SER 1134CO 0.00 -0.12 1.97 -2.24 1.20 0.00 0.00 173.24 174.05 1wvg h ASP 1135N 2.06 0.00 -0.04 5.45 -0.00 -1.75 -2.76 116.42 119.37 1wvg h ASP 1135Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 1wvg h ASP 1135Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.49 1wvg h ASP 1135CO 0.22 0.00 0.00 0.29 -0.00 0.00 0.00 179.24 179.75 1wvg n LYS 1136N -2.75 1.32 0.23 4.15 5.02 -1.26 -3.86 118.16 121.00 1wvg n LYS 1136Ca -0.00 -0.48 0.09 0.00 -2.02 0.00 0.00 58.31 55.90 1wvg n LYS 1136Cb 0.18 -1.41 0.53 0.00 -0.02 0.00 0.00 35.03 34.31 1wvg n LYS 1136CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wvg s TYR 1138N -3.93 2.90 -0.05 0.00 1.51 -1.25 -0.38 117.35 116.15 1wvg s TYR 1138Ca -0.01 1.53 -0.29 0.00 -1.01 0.00 0.00 57.07 57.28 1wvg s TYR 1138Cb 0.12 -3.42 -0.07 0.00 -0.11 0.00 0.00 41.96 38.48 1wvg s TYR 1138CO 0.64 -1.55 2.01 0.34 -1.11 0.00 0.00 175.55 175.88 1wvg s ASP 1139N -1.23 6.18 -0.69 2.29 2.15 0.11 -4.02 116.67 121.46 1wvg s ASP 1139Ca 0.62 2.40 -0.27 0.00 0.43 0.00 0.00 52.55 55.72 1wvg s ASP 1139Cb -0.30 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 39.81 1wvg s ASP 1139CO 0.37 -1.31 1.39 0.21 -0.17 0.00 0.00 175.17 175.66 1wvg s ASN 1140N 5.45 6.02 0.00 -0.34 3.84 -1.26 -4.88 114.94 123.77 1wvg s ASN 1140Ca 0.90 -0.20 0.29 0.00 0.21 0.00 0.00 52.86 54.06 1wvg s ASN 1140Cb -0.39 -2.55 1.61 0.00 -0.55 0.00 0.00 41.25 39.37 1wvg s ASN 1140CO 0.39 -1.90 2.03 0.54 -2.79 0.00 0.00 177.10 175.37 1wvg n ARG 1141N 9.21 0.71 -3.90 0.43 5.12 -1.26 -4.93 116.66 122.04 1wvg n ARG 1141Ca 0.07 0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.73 1wvg n ARG 1141Cb 0.50 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.29 1wvg n ARG 1141CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wvg n GLU 1142N -1.11 -2.89 -4.68 5.56 -0.58 -1.26 -4.96 120.64 110.72 1wvg n GLU 1142Ca 0.18 0.41 -0.31 0.00 -0.42 0.00 0.00 57.16 57.03 1wvg n GLU 1142Cb 0.15 -4.42 -0.07 0.00 -0.57 0.00 0.00 31.44 26.53 1wvg n GLU 1142CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 1wvg s TRP 1143N -3.85 1.78 0.11 -0.32 -2.14 -1.26 -5.02 118.94 108.24 1wvg s TRP 1143Ca 0.10 -1.14 0.09 0.00 2.66 0.00 0.00 56.10 57.82 1wvg s TRP 1143Cb -0.04 -1.41 -0.03 0.00 -3.10 0.00 0.00 33.47 28.89 1wvg s TRP 1143CO 0.88 -0.03 1.38 -0.24 -2.66 0.00 0.00 176.95 176.29 1wvg h VAL 1144N 1.47 1.51 -4.03 -0.66 3.04 -1.93 -3.32 116.25 112.34 1wvg h VAL 1144Ca -0.40 -2.95 -0.50 0.00 -1.01 0.00 0.00 66.70 61.85 1wvg h VAL 1144Cb 1.31 2.63 0.05 0.00 -2.01 0.00 0.00 31.29 33.27 1wvg h VAL 1144CO 0.65 0.82 0.44 0.26 -1.01 0.00 0.00 177.57 178.74 1wvg s TRP 1145N -2.94 2.89 0.08 3.17 0.51 -1.26 -4.71 118.94 116.68 1wvg s TRP 1145Ca 0.01 1.56 -0.28 0.00 -2.12 0.00 0.00 56.10 55.27 1wvg s TRP 1145Cb 0.10 -3.26 -0.06 0.00 -0.81 0.00 0.00 33.47 29.44 1wvg s TRP 1145CO 0.79 -1.29 0.89 0.20 -0.51 0.00 0.00 176.95 177.03 1wvg s GLY 1146N -1.62 2.92 0.45 0.98 0.00 -1.26 -4.49 107.32 104.30 1wvg s GLY 1146Ca 0.66 0.47 -0.24 0.00 0.00 0.00 0.00 44.72 45.61 1wvg s GLY 1146CO 0.29 1.33 1.19 -0.19 0.00 0.00 0.00 173.10 175.72 1wvg s TYR 1147N -0.00 2.87 0.13 1.90 1.51 -0.03 -4.03 117.35 119.70 1wvg s TYR 1147Ca 0.44 1.52 0.02 0.00 -1.01 0.00 0.00 57.07 58.03 1wvg s TYR 1147Cb -0.22 -3.44 -0.04 0.00 -0.11 0.00 0.00 41.96 38.15 1wvg s TYR 1147CO 0.27 -1.62 0.26 1.03 -1.11 0.00 0.00 175.55 174.39 1wvg s ARG 1148N -2.58 3.43 0.62 -0.62 0.52 -1.26 -0.55 118.95 118.52 1wvg s ARG 1148Ca 0.62 -0.56 0.40 0.00 -0.52 0.00 0.00 55.73 55.67 1wvg s ARG 1148Cb -0.31 -2.98 2.06 0.00 0.52 0.00 0.00 34.95 34.24 1wvg s ARG 1148CO 0.38 0.54 2.24 0.93 0.02 0.00 0.00 175.30 179.41 1wvg h GLU 1149N 2.37 0.00 -0.23 3.54 3.07 -1.93 -2.13 114.58 119.26 1wvg h GLU 1149Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1wvg h GLU 1149Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1wvg h GLU 1149CO 0.70 0.01 0.00 0.27 -1.40 0.00 0.00 179.01 178.59 1wvg n ASN 1150N -3.13 1.51 -4.91 1.42 0.23 -1.26 -4.94 115.26 104.18 1wvg n ASN 1150Ca -0.02 -1.86 -0.27 0.00 -0.53 0.00 0.00 54.58 51.90 1wvg n ASN 1150Cb 0.15 -0.15 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 1wvg n ASN 1150CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1wvg s GLU 1151N -1.69 3.26 0.42 -3.83 2.02 -0.80 -5.04 118.70 113.04 1wvg s GLU 1151Ca 0.25 0.14 -0.25 0.00 0.02 0.00 0.00 54.97 55.12 1wvg s GLU 1151Cb 0.13 -2.31 -0.08 0.00 0.10 0.00 0.00 34.13 31.97 1wvg s GLU 1151CO 0.18 -0.46 1.26 -2.14 0.02 0.00 0.00 175.26 174.13 1wvg s PRO 1152N -4.89 3.89 0.45 0.39 0.02 -1.26 -4.91 135.00 128.69 1wvg s PRO 1152Ca 0.51 2.04 -0.04 0.00 0.02 0.00 0.00 61.00 63.54 1wvg s PRO 1152Cb -0.10 -2.65 -0.03 0.00 0.02 0.00 0.00 34.50 31.73 1wvg s PRO 1152CO 0.46 -0.52 0.73 -1.64 -0.33 0.00 0.00 177.00 175.69 1wvg s MET 1153N -2.36 3.50 0.00 5.54 -1.94 -1.26 0.09 119.30 122.87 1wvg s MET 1153Ca 0.59 0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 1wvg s MET 1153Cb -0.35 -2.45 0.00 0.00 2.01 0.00 0.00 34.83 34.04 1wvg s MET 1153CO 0.45 -0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.74 1wvg n GLY 1154N -2.15 0.37 0.00 -0.03 0.00 0.48 -4.18 105.19 99.69 1wvg n GLY 1154Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1wvg n GLY 1154CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvg n GLY 1155N 0.00 4.17 0.09 -0.02 0.00 -1.26 -3.74 105.19 104.43 1wvg n GLY 1155Ca 0.00 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 1wvg n GLY 1155CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wvg h TYR 1156N 0.00 0.12 -2.80 1.61 3.20 -1.89 -3.37 116.97 113.83 1wvg h TYR 1156Ca 0.00 -0.08 -0.46 0.00 3.14 0.00 0.00 58.73 61.33 1wvg h TYR 1156Cb 0.00 -0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.30 1wvg h TYR 1156CO 0.00 1.19 -0.06 0.16 -1.64 0.00 0.00 178.16 177.80 1wvg s ASP 1157N -6.52 5.75 0.32 -2.11 -4.77 -1.26 -4.88 116.67 103.20 1wvg s ASP 1157Ca -0.20 0.30 0.02 0.00 -3.30 0.00 0.00 52.55 49.36 1wvg s ASP 1157Cb -0.00 -1.48 0.59 0.00 -1.09 0.00 0.00 42.92 40.93 1wvg s ASP 1157CO 0.70 -0.78 1.94 -0.65 0.70 0.00 0.00 175.17 177.08 1wvg h PRO 1158N 0.31 0.92 0.43 2.11 0.11 -1.89 0.86 132.00 134.86 1wvg h PRO 1158Ca -0.46 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1wvg h PRO 1158Cb 1.26 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1wvg h PRO 1158CO 0.57 0.61 -0.21 -0.92 -0.21 0.00 0.00 178.00 177.85 1wvg h TYR 1159N 0.95 -0.53 -0.39 0.65 3.20 -1.84 0.19 116.97 119.19 1wvg h TYR 1159Ca 0.35 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.22 1wvg h TYR 1159Cb 0.16 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1wvg h TYR 1159CO -0.00 -0.29 0.22 0.77 -1.64 0.00 0.00 178.16 177.21 1wvg h SER 1160N -0.64 0.34 -0.86 -2.11 0.02 -1.79 -1.46 113.55 107.04 1wvg h SER 1160Ca -0.06 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1wvg h SER 1160Cb 0.48 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1wvg h SER 1160CO 0.10 0.25 0.51 -1.13 -1.14 0.00 0.00 176.83 175.42 1wvg h ASN 1161N 0.44 1.05 -0.56 3.07 -0.73 -0.79 -1.86 115.58 116.21 1wvg h ASN 1161Ca 0.16 -0.07 0.01 0.00 1.87 0.00 0.00 56.30 58.27 1wvg h ASN 1161Cb 0.03 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 1wvg h ASN 1161CO -0.08 0.82 0.37 0.77 -0.37 0.00 0.00 177.43 178.93 1wvg h SER 1162N 1.20 0.62 0.39 1.15 4.64 0.41 -0.84 113.55 121.12 1wvg h SER 1162Ca 0.31 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.45 1wvg h SER 1162Cb -0.03 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1wvg h SER 1162CO -0.06 0.45 -0.69 0.11 -0.87 0.00 0.00 176.83 175.78 1wvg h LYS 1163N 0.73 0.27 -0.23 4.77 1.79 -0.86 -0.99 116.57 122.05 1wvg h LYS 1163Ca 0.21 -0.21 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1wvg h LYS 1163Cb -0.05 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1wvg h LYS 1163CO -0.05 0.85 -0.39 0.78 -1.08 0.00 0.00 179.45 179.56 1wvg h GLY 1164N 1.51 0.58 1.05 3.86 0.00 -0.45 -1.76 103.07 107.87 1wvg h GLY 1164Ca -0.02 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 1wvg h GLY 1164CO 0.11 0.52 -0.11 0.00 0.00 0.00 0.00 176.54 177.06 1wvg h ALA 1166N 0.89 1.56 -0.49 0.00 0.00 -1.01 0.65 119.26 120.85 1wvg h ALA 1166Ca 0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1wvg h ALA 1166Cb 0.66 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1wvg h ALA 1166CO 0.05 0.39 -0.17 0.93 0.00 0.00 0.00 179.25 180.44 1wvg h GLU 1167N 0.73 0.97 -0.45 0.00 4.39 -1.05 -0.67 114.58 118.50 1wvg h GLU 1167Ca 0.19 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 1wvg h GLU 1167Cb -0.02 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1wvg h GLU 1167CO -0.04 1.06 0.01 -0.07 -1.16 0.00 0.00 179.01 178.81 1wvg h LEU 1168N 0.85 0.78 0.06 1.33 4.07 0.11 -2.58 115.31 119.93 1wvg h LEU 1168Ca 0.12 -0.30 0.02 0.00 0.08 0.00 0.00 57.88 57.80 1wvg h LEU 1168Cb 0.74 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 1wvg h LEU 1168CO 0.06 0.89 -0.26 0.58 -1.08 0.00 0.00 178.44 178.63 1wvg h VAL 1169N 0.64 0.43 -0.87 1.22 2.07 0.44 -1.35 116.25 118.82 1wvg h VAL 1169Ca 0.13 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.78 1wvg h VAL 1169Cb 0.48 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 1wvg h VAL 1169CO 0.02 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.18 1wvg h ALA 1170N 0.35 1.82 -0.22 1.67 0.00 -1.04 -0.49 119.26 121.35 1wvg h ALA 1170Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1wvg h ALA 1170Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1wvg h ALA 1170CO -0.19 -0.04 0.04 0.77 0.00 0.00 0.00 179.25 179.83 1wvg h SER 1171N 0.70 0.34 -0.47 0.00 0.02 -1.03 0.11 113.55 113.23 1wvg h SER 1171Ca 0.43 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1wvg h SER 1171Cb 0.66 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1wvg h SER 1171CO -0.19 0.51 0.03 0.00 -1.14 0.00 0.00 176.83 176.04 1wvg h ALA 1172N 0.85 1.07 -0.42 3.77 0.00 -0.65 0.28 119.26 124.15 1wvg h ALA 1172Ca 0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1wvg h ALA 1172Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1wvg h ALA 1172CO 0.00 0.59 -0.00 0.74 0.00 0.00 0.00 179.25 180.58 1wvg h PHE 1173N 0.81 0.82 -0.21 0.00 -1.00 -1.00 0.63 116.94 117.00 1wvg h PHE 1173Ca 0.16 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1wvg h PHE 1173Cb 0.44 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1wvg h PHE 1173CO 0.03 0.81 0.10 -0.09 -1.61 0.00 0.00 178.31 177.55 1wvg h ARG 1174N 0.59 0.30 -0.27 1.51 2.43 -0.73 0.39 114.38 118.60 1wvg h ARG 1174Ca 0.12 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1wvg h ARG 1174Cb 0.49 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1wvg h ARG 1174CO 0.02 0.33 -0.15 -0.91 -1.51 0.00 0.00 179.97 177.75 1wvg h ASN 1175N 0.20 0.60 0.01 -3.80 2.35 -0.75 -0.13 115.58 114.06 1wvg h ASN 1175Ca 0.07 -0.42 -0.21 0.00 -0.55 0.00 0.00 56.30 55.19 1wvg h ASN 1175Cb 0.13 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 38.35 1wvg h ASN 1175CO -0.01 0.89 -0.83 0.28 -1.65 0.00 0.00 177.43 176.11 1wvg h SER 1176N 0.31 0.70 0.00 5.81 0.02 0.35 -3.38 113.55 117.36 1wvg h SER 1176Ca 0.06 -0.76 -0.08 0.00 -0.84 0.00 0.00 61.79 60.16 1wvg h SER 1176Cb 0.67 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1wvg h SER 1176CO 0.04 1.38 -1.43 0.49 -1.14 0.00 0.00 176.83 176.17 1wvg n PHE 1177N -4.05 0.00 -2.14 3.45 3.72 0.13 -4.72 117.46 113.86 1wvg n PHE 1177Ca -0.11 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.06 1wvg n PHE 1177Cb 0.78 -0.28 0.02 0.00 -0.94 0.00 0.00 39.48 39.06 1wvg n PHE 1177CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1wvg n PHE 1178N -2.07 2.73 -1.64 1.38 0.99 -0.74 -4.99 117.46 113.12 1wvg n PHE 1178Ca -0.08 -2.34 -0.55 0.00 -0.00 0.00 0.00 57.45 54.49 1wvg n PHE 1178Cb 0.52 -0.30 -0.07 0.00 -1.00 0.00 0.00 39.48 38.64 1wvg n PHE 1178CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1wvg n ASN 1179N -0.67 1.90 -0.24 4.37 2.85 -0.14 -4.77 115.26 118.57 1wvg n ASN 1179Ca 0.41 1.10 -0.06 0.00 -0.11 0.00 0.00 54.58 55.92 1wvg n ASN 1179Cb 0.92 -1.16 0.04 0.00 1.24 0.00 0.00 39.78 40.82 1wvg n ASN 1179CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1wvg h PRO 1180N 5.60 0.97 0.00 1.20 0.11 -1.92 -1.64 132.00 136.32 1wvg h PRO 1180Ca -0.47 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.50 1wvg h PRO 1180Cb 1.33 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wvg h PRO 1180CO 0.85 0.76 0.08 0.00 -0.21 0.00 0.00 178.00 179.49 1wvg n ALA 1181N -2.36 0.85 -3.63 -0.75 0.00 -1.26 -4.92 120.51 108.44 1wvg n ALA 1181Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 1wvg n ALA 1181Cb 0.12 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 1wvg n ALA 1181CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wvg s ASN 1182N -2.23 -0.85 0.00 0.00 4.22 -0.62 -5.21 114.94 110.25 1wvg s ASN 1182Ca 0.00 1.47 0.00 0.00 -2.14 0.00 0.00 52.86 52.19 1wvg s ASN 1182Cb 0.00 1.41 0.00 0.00 1.28 0.00 0.00 41.25 43.94 1wvg s ASN 1182CO 0.00 -0.24 0.00 1.67 -2.04 0.00 0.00 177.10 176.49 1wvg n GLN 1185N 3.59 0.00 0.30 3.55 7.27 -1.26 -4.72 117.38 126.11 1wvg n GLN 1185Ca -0.17 0.00 0.17 0.00 0.07 0.00 0.00 57.00 57.07 1wvg n GLN 1185Cb 0.57 0.00 0.95 0.00 2.41 0.00 0.00 30.24 34.17 1wvg n GLN 1185CO 0.00 0.00 0.00 1.12 0.07 0.00 0.00 177.06 178.25 1wvg h HIS 1186N 0.00 0.00 -0.27 3.69 2.07 -1.94 -3.46 115.15 115.24 1wvg h HIS 1186Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 1wvg h HIS 1186Cb 0.00 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.93 1wvg h HIS 1186CO 0.00 0.03 -0.11 0.41 -3.07 0.00 0.00 177.93 175.20 1wvg n GLY 1187N -0.95 0.55 3.68 6.13 0.00 -1.26 -4.90 105.19 108.44 1wvg n GLY 1187Ca -0.02 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1wvg n GLY 1187CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wvg s VAL 1188N -1.49 5.21 -0.17 1.61 1.01 -1.26 -4.23 120.40 121.08 1wvg s VAL 1188Ca 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1wvg s VAL 1188Cb 0.00 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1wvg s VAL 1188CO 0.00 0.27 -0.05 -0.83 0.00 0.00 0.00 175.10 174.49 1wvg s GLY 1189N 0.95 1.66 -0.13 4.51 0.00 -0.57 -4.80 107.32 108.93 1wvg s GLY 1189Ca 0.19 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 1wvg s GLY 1189CO 0.08 0.06 -0.05 -2.27 0.00 0.00 0.00 173.10 170.92 1wvg s LEU 1190N 0.70 1.28 0.04 0.66 2.96 -1.26 -1.15 118.68 121.90 1wvg s LEU 1190Ca -0.03 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1wvg s LEU 1190Cb -0.15 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 1wvg s LEU 1190CO 0.02 -0.17 -0.23 0.00 -1.32 0.00 0.00 176.35 174.66 1wvg s ALA 1191N 1.72 2.41 -0.17 5.97 0.00 -0.81 -2.65 121.76 128.23 1wvg s ALA 1191Ca 0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 1wvg s ALA 1191Cb -0.14 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1wvg s ALA 1191CO -0.08 0.55 -0.02 -1.12 0.00 0.00 0.00 175.76 175.10 1wvg s SER 1192N -1.29 4.86 -0.10 0.00 0.01 -0.68 -0.24 113.70 116.26 1wvg s SER 1192Ca 0.13 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.26 1wvg s SER 1192Cb -0.10 -1.81 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 1wvg s SER 1192CO 0.03 0.13 -0.15 0.68 0.41 0.00 0.00 173.24 174.35 1wvg s VAL 1193N 0.58 2.95 -0.11 3.43 -7.23 0.35 -0.81 120.40 119.56 1wvg s VAL 1193Ca -0.02 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1wvg s VAL 1193Cb -0.14 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 1wvg s VAL 1193CO 0.02 0.55 -0.19 -0.13 -0.31 0.00 0.00 175.10 175.04 1wvg s ARG 1194N 0.05 3.11 -0.01 4.82 0.52 0.24 -1.01 118.95 126.67 1wvg s ARG 1194Ca -0.05 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.07 1wvg s ARG 1194Cb -0.15 -2.42 0.10 0.00 0.52 0.00 0.00 34.95 33.00 1wvg s ARG 1194CO 0.05 0.23 0.88 0.00 0.02 0.00 0.00 175.30 176.48 1wvg s ALA 1195N 0.24 -1.82 0.00 2.13 0.00 -1.26 -0.91 121.76 120.15 1wvg s ALA 1195Ca -0.13 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1wvg s ALA 1195Cb -0.16 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1wvg s ALA 1195CO 0.07 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1wvg n GLY 1196N -0.19 2.81 4.10 0.00 0.00 -1.26 -2.29 105.19 108.35 1wvg n GLY 1196Ca -0.09 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1wvg n GLY 1196CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wvg n ASN 1197N -1.02 -2.81 -4.67 1.61 3.02 -1.26 -4.66 115.26 105.48 1wvg n ASN 1197Ca 0.00 -0.90 -0.43 0.00 -0.03 0.00 0.00 54.58 53.22 1wvg n ASN 1197Cb 0.00 -2.34 -0.02 0.00 -0.61 0.00 0.00 39.78 36.81 1wvg n ASN 1197CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wvg s VAL 1198N -3.14 4.53 0.12 2.41 1.01 -1.26 -1.02 120.40 123.05 1wvg s VAL 1198Ca 0.68 1.84 0.07 0.00 0.00 0.00 0.00 61.98 64.57 1wvg s VAL 1198Cb -0.38 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1wvg s VAL 1198CO 0.84 -0.13 -0.17 0.27 0.00 0.00 0.00 175.10 175.91 1wvg s ILE 1199N 3.08 1.53 0.00 2.22 -4.36 0.25 -4.89 121.20 119.03 1wvg s ILE 1199Ca 0.49 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 1wvg s ILE 1199Cb -0.18 -1.56 0.00 0.00 1.25 0.00 0.00 42.46 41.97 1wvg s ILE 1199CO 0.11 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.63 1wvg n GLY 1200N 0.71 0.47 3.78 6.27 0.00 -1.26 0.82 105.19 115.98 1wvg n GLY 1200Ca -0.17 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 1wvg n GLY 1200CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wvg s GLY 1201N 0.00 2.74 0.00 -0.02 0.00 -1.26 -3.54 107.32 105.24 1wvg s GLY 1201Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 1wvg s GLY 1201CO 0.00 1.26 0.00 0.61 0.00 0.00 0.00 173.10 174.97 1wvg n GLY 1202N 0.35 0.55 3.42 0.20 0.00 -1.26 -5.05 105.19 103.40 1wvg n GLY 1202Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1wvg n GLY 1202CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wvg s ASP 1203N -2.76 6.25 -0.16 1.61 2.15 -1.23 -3.98 116.67 118.55 1wvg s ASP 1203Ca 0.00 -1.34 0.16 0.00 0.43 0.00 0.00 52.55 51.80 1wvg s ASP 1203Cb 0.00 -2.37 0.75 0.00 -0.30 0.00 0.00 42.92 41.00 1wvg s ASP 1203CO 0.00 -1.25 1.65 0.79 -0.17 0.00 0.00 175.17 176.20 1wvg n TRP 1204N 6.95 1.71 -1.90 -5.34 8.01 -1.26 -4.62 117.44 120.99 1wvg n TRP 1204Ca -0.02 -0.64 -0.41 0.00 -1.31 0.00 0.00 57.50 55.12 1wvg n TRP 1204Cb 0.45 -0.36 -0.01 0.00 -2.01 0.00 0.00 31.31 29.38 1wvg n TRP 1204CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1wvg s ALA 1205N -2.22 3.63 0.29 6.99 0.00 -1.26 -4.82 121.76 124.36 1wvg s ALA 1205Ca 0.51 1.46 -0.22 0.00 0.00 0.00 0.00 51.96 53.72 1wvg s ALA 1205Cb 0.36 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 1wvg s ALA 1205CO 0.20 -0.89 0.83 0.15 0.00 0.00 0.00 175.76 176.06 1wvg s LYS 1206N -1.15 4.36 -1.31 0.00 1.02 -1.26 -3.98 119.74 117.42 1wvg s LYS 1206Ca 0.57 1.06 -0.03 0.00 0.02 0.00 0.00 55.97 57.58 1wvg s LYS 1206Cb -0.45 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.14 1wvg s LYS 1206CO 0.52 0.29 0.91 -0.25 -0.92 0.00 0.00 175.35 175.90 1wvg n ASP 1207N 0.43 -2.71 -4.12 2.83 9.92 -1.26 -5.01 116.55 116.64 1wvg n ASP 1207Ca 0.01 -0.71 -0.30 0.00 -0.53 0.00 0.00 54.79 53.26 1wvg n ASP 1207Cb 0.51 -4.54 -0.17 0.00 -0.64 0.00 0.00 41.12 36.29 1wvg n ASP 1207CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wvg s ARG 1208N -5.91 2.60 0.22 -1.24 0.52 -1.26 -5.05 118.95 108.84 1wvg s ARG 1208Ca 0.18 -0.71 -0.19 0.00 -0.52 0.00 0.00 55.73 54.49 1wvg s ARG 1208Cb -0.08 -2.11 0.19 0.00 0.52 0.00 0.00 34.95 33.47 1wvg s ARG 1208CO 0.78 0.00 1.56 1.25 0.02 0.00 0.00 175.30 178.90 1wvg h LEU 1209N 7.24 -1.43 0.75 2.53 5.85 -1.94 0.25 115.31 128.55 1wvg h LEU 1209Ca -0.30 0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1wvg h LEU 1209Cb 1.19 0.73 0.01 0.00 0.37 0.00 0.00 40.66 42.96 1wvg h LEU 1209CO 0.51 -0.29 -0.36 0.40 -0.34 0.00 0.00 178.44 178.36 1wvg h ILE 1210N -0.04 0.07 -0.74 4.05 1.08 -1.97 -1.65 117.51 118.31 1wvg h ILE 1210Ca 0.31 -0.23 0.14 0.00 -0.39 0.00 0.00 64.86 64.69 1wvg h ILE 1210Cb 0.58 0.09 -0.14 0.00 -3.07 0.00 0.00 36.82 34.28 1wvg h ILE 1210CO -0.92 0.01 -0.28 -0.65 -0.69 0.00 0.00 178.15 175.62 1wvg h PRO 1211N -1.23 -0.06 0.02 2.37 0.11 -1.77 0.50 132.00 131.95 1wvg h PRO 1211Ca -0.10 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.02 1wvg h PRO 1211Cb 0.79 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1wvg h PRO 1211CO 0.17 -0.04 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.23 1wvg h ASP 1212N -0.06 -0.75 -0.92 -2.05 5.19 -0.48 0.20 116.42 117.55 1wvg h ASP 1212Ca 0.32 0.08 0.17 0.00 -0.62 0.00 0.00 57.03 56.98 1wvg h ASP 1212Cb 0.57 0.28 -0.17 0.00 0.18 0.00 0.00 39.33 40.19 1wvg h ASP 1212CO -0.79 -0.25 -0.27 0.40 -3.12 0.00 0.00 179.24 175.21 1wvg h ILE 1213N -0.32 0.06 -0.63 0.35 2.04 -0.26 0.57 117.51 119.32 1wvg h ILE 1213Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1wvg h ILE 1213Cb 0.34 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1wvg h ILE 1213CO -0.15 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.30 1wvg h LEU 1214N -0.01 0.77 0.18 1.44 3.38 -0.33 0.02 115.31 120.75 1wvg h LEU 1214Ca 0.41 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1wvg h LEU 1214Cb 0.65 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wvg h LEU 1214CO -0.94 0.61 -0.08 0.03 0.09 0.00 0.00 178.44 178.14 1wvg h ARG 1215N 0.86 -0.23 -0.13 1.13 3.08 0.26 -0.29 114.38 119.07 1wvg h ARG 1215Ca 0.23 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.31 1wvg h ARG 1215Cb -0.01 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1wvg h ARG 1215CO -0.04 -0.12 -0.14 0.77 -1.07 0.00 0.00 179.97 179.37 1wvg h SER 1216N -0.27 -0.47 -0.67 7.04 0.02 0.41 0.37 113.55 119.98 1wvg h SER 1216Ca -0.02 0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.13 1wvg h SER 1216Cb 0.21 0.19 -0.12 0.00 0.14 0.00 0.00 62.40 62.82 1wvg h SER 1216CO 0.04 -0.09 -0.09 -0.26 -1.14 0.00 0.00 176.83 175.29 1wvg h PHE 1217N -0.08 -0.21 -0.93 3.45 0.04 -0.93 0.63 116.94 118.91 1wvg h PHE 1217Ca 0.02 0.06 0.13 0.00 2.80 0.00 0.00 57.97 60.98 1wvg h PHE 1217Cb 0.14 0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.41 1wvg h PHE 1217CO -0.69 -0.25 0.59 1.05 -0.60 0.00 0.00 178.31 178.42 1wvg h GLU 1218N 0.05 0.78 -0.64 1.51 4.11 -0.35 0.00 114.58 120.04 1wvg h GLU 1218Ca 0.34 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1wvg h GLU 1218Cb 0.55 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wvg h GLU 1218CO -0.64 0.52 0.00 0.09 0.07 0.00 0.00 179.01 179.05 1wvg n ASN 1219N -4.59 4.57 0.00 3.06 3.02 0.12 -4.91 115.26 116.53 1wvg n ASN 1219Ca 0.18 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.21 1wvg n ASN 1219Cb 0.42 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1wvg n ASN 1219CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wvg n ASN 1220N 0.88 -3.85 -4.84 6.41 2.85 -0.01 -4.95 115.26 111.75 1wvg n ASN 1220Ca 0.24 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.38 1wvg n ASN 1220Cb 0.89 -3.11 -0.05 0.00 1.24 0.00 0.00 39.78 38.76 1wvg n ASN 1220CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1wvg s GLN 1221N -1.62 4.02 0.22 1.20 -0.21 -0.84 -4.96 119.66 117.48 1wvg s GLN 1221Ca 0.00 0.91 -0.15 0.00 0.02 0.00 0.00 55.36 56.15 1wvg s GLN 1221Cb 0.00 -2.21 -0.08 0.00 1.00 0.00 0.00 33.01 31.72 1wvg s GLN 1221CO 0.00 -0.12 0.63 -1.14 -2.12 0.00 0.00 175.29 172.54 1wvg s GLN 1222N -3.65 4.01 -0.03 2.91 0.74 -1.26 -3.95 119.66 118.42 1wvg s GLN 1222Ca 0.58 0.58 -0.19 0.00 0.05 0.00 0.00 55.36 56.38 1wvg s GLN 1222Cb -0.10 -2.74 -0.05 0.00 1.10 0.00 0.00 33.01 31.22 1wvg s GLN 1222CO 0.24 0.35 0.52 0.08 -0.55 0.00 0.00 175.29 175.93 1wvg s VAL 1223N -1.67 5.01 -0.35 1.34 1.01 -0.61 -4.84 120.40 120.28 1wvg s VAL 1223Ca 0.45 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 63.36 1wvg s VAL 1223Cb -0.13 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1wvg s VAL 1223CO 0.20 0.43 0.31 -0.63 0.00 0.00 0.00 175.10 175.40 1wvg s ILE 1224N -0.15 5.22 -0.36 2.22 1.01 -1.24 0.40 121.20 128.29 1wvg s ILE 1224Ca 0.28 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 1wvg s ILE 1224Cb -0.17 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1wvg s ILE 1224CO 0.14 -0.10 0.50 -0.63 0.00 0.00 0.00 174.94 174.85 1wvg s ILE 1225N 1.87 5.03 0.16 2.92 -1.09 0.21 -4.90 121.20 125.40 1wvg s ILE 1225Ca 0.09 0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.76 1wvg s ILE 1225Cb -0.17 -3.98 -0.16 0.00 -1.58 0.00 0.00 42.46 36.57 1wvg s ILE 1225CO 0.11 -0.26 1.36 0.03 -1.23 0.00 0.00 174.94 174.95 1wvg h ARG 1226N 8.53 0.09 -0.95 2.79 3.08 -1.96 -2.79 114.38 123.16 1wvg h ARG 1226Ca -0.28 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.60 1wvg h ARG 1226Cb 1.12 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 31.03 1wvg h ARG 1226CO 0.78 0.93 -0.44 0.54 -1.07 0.00 0.00 179.97 180.71 1wvg s ASN 1227N -6.85 -1.45 0.32 7.04 4.22 -1.26 -4.58 114.94 112.39 1wvg s ASN 1227Ca -0.01 -0.92 0.07 0.00 -2.14 0.00 0.00 52.86 49.86 1wvg s ASN 1227Cb 0.10 1.86 0.77 0.00 1.28 0.00 0.00 41.25 45.26 1wvg s ASN 1227CO 0.82 -0.14 1.79 1.55 -2.04 0.00 0.00 177.10 179.08 1wvg h PRO 1228N 6.52 0.72 -0.00 3.55 0.13 -1.91 -2.92 132.00 138.08 1wvg h PRO 1228Ca 0.05 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wvg h PRO 1228Cb 1.17 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1wvg h PRO 1228CO 0.07 0.48 -0.14 0.66 -0.23 0.00 0.00 178.00 178.84 1wvg n TYR 1229N -4.72 0.00 -1.85 1.56 0.53 -1.26 0.19 117.16 111.62 1wvg n TYR 1229Ca 0.22 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.69 1wvg n TYR 1229Cb 0.57 -0.33 -0.02 0.00 -1.03 0.00 0.00 39.34 38.53 1wvg n TYR 1229CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1wvg s SER 1230N -2.81 6.45 -0.06 7.72 0.15 -1.11 -4.80 113.70 119.24 1wvg s SER 1230Ca 0.19 2.89 0.06 0.00 0.70 0.00 0.00 55.95 59.79 1wvg s SER 1230Cb 0.19 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 1wvg s SER 1230CO 0.55 -0.85 -0.25 -0.63 1.20 0.00 0.00 173.24 173.26 1wvg s ILE 1231N -0.17 2.04 0.06 6.45 1.01 -1.26 -1.82 121.20 127.50 1wvg s ILE 1231Ca 0.61 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1wvg s ILE 1231Cb -0.46 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1wvg s ILE 1231CO 0.49 0.57 -0.10 -0.13 0.00 0.00 0.00 174.94 175.77 1wvg s ARG 1232N -0.10 0.67 -1.47 2.79 1.81 -1.26 -4.83 118.95 116.56 1wvg s ARG 1232Ca -0.05 -0.91 -0.11 0.00 -1.72 0.00 0.00 55.73 52.94 1wvg s ARG 1232Cb -0.14 -0.45 0.03 0.00 -0.45 0.00 0.00 34.95 33.94 1wvg s ARG 1232CO 0.04 0.08 2.42 -0.35 -0.68 0.00 0.00 175.30 176.81 1wvg n PRO 1233N 1.17 3.44 -1.88 3.54 -0.04 -1.26 -4.42 135.00 135.55 1wvg n PRO 1233Ca -0.21 -2.73 -0.41 0.00 -0.04 0.00 0.00 63.50 60.11 1wvg n PRO 1233Cb 0.55 -3.00 -0.02 0.00 -0.04 0.00 0.00 33.50 30.99 1wvg n PRO 1233CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1wvg s TRP 1234N 1.92 2.88 -0.14 0.54 0.23 -1.26 -4.53 118.94 118.58 1wvg s TRP 1234Ca 0.54 0.87 -0.12 0.00 -2.03 0.00 0.00 56.10 55.36 1wvg s TRP 1234Cb 0.15 -3.96 0.04 0.00 0.03 0.00 0.00 33.47 29.73 1wvg s TRP 1234CO -0.07 -3.20 0.36 1.14 0.96 0.00 0.00 176.95 176.14 1wvg s GLN 1235N -0.36 0.42 0.32 4.98 -2.07 -0.19 -4.81 119.66 117.94 1wvg s GLN 1235Ca 0.62 0.52 -0.28 0.00 -1.82 0.00 0.00 55.36 54.40 1wvg s GLN 1235Cb -0.45 0.19 -0.13 0.00 -1.09 0.00 0.00 33.01 31.53 1wvg s GLN 1235CO 0.45 -0.06 1.28 1.58 -1.32 0.00 0.00 175.29 177.22 1wvg n HIS 1236N 2.99 2.16 -0.33 9.60 -0.00 -1.25 -0.59 115.22 127.80 1wvg n HIS 1236Ca -0.14 0.55 0.17 0.00 -0.00 0.00 0.00 57.72 58.30 1wvg n HIS 1236Cb 0.57 -2.40 0.37 0.00 -0.00 0.00 0.00 29.99 28.52 1wvg n HIS 1236CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 1wvg h VAL 1237N 2.56 0.47 0.00 3.57 -1.51 0.08 -0.05 116.25 121.37 1wvg h VAL 1237Ca -0.45 -0.16 -0.03 0.00 -1.23 0.00 0.00 66.70 64.83 1wvg h VAL 1237Cb 1.29 -0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1wvg h VAL 1237CO 0.64 0.08 -0.13 -0.07 -1.23 0.00 0.00 177.57 176.86 1wvg h LEU 1238N 0.46 0.00 0.49 4.19 3.38 -1.89 -3.15 115.31 118.80 1wvg h LEU 1238Ca 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.58 1wvg h LEU 1238Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1wvg h LEU 1238CO -0.52 0.13 -0.51 -0.33 0.09 0.00 0.00 178.44 177.30 1wvg h GLU 1239N 0.00 -0.97 -0.49 1.13 4.39 -1.34 0.33 114.58 117.63 1wvg h GLU 1239Ca -0.00 0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1wvg h GLU 1239Cb 0.36 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1wvg h GLU 1239CO 0.02 -0.64 -0.02 -1.35 -1.16 0.00 0.00 179.01 175.86 1wvg h PRO 1240N -1.00 0.83 -0.85 2.33 0.11 -1.73 -2.28 132.00 129.42 1wvg h PRO 1240Ca -0.06 -0.24 0.11 0.00 0.11 0.00 0.00 66.00 65.92 1wvg h PRO 1240Cb 0.87 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.81 1wvg h PRO 1240CO -0.07 0.84 0.48 -0.07 -0.21 0.00 0.00 178.00 178.98 1wvg h LEU 1241N 0.77 0.67 -1.28 2.35 3.38 -1.46 0.11 115.31 119.86 1wvg h LEU 1241Ca 0.15 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1wvg h LEU 1241Cb 0.49 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1wvg h LEU 1241CO 0.02 0.37 0.32 0.77 0.09 0.00 0.00 178.44 180.01 1wvg h SER 1242N 0.78 0.73 -0.52 -0.43 4.64 -0.34 -1.74 113.55 116.67 1wvg h SER 1242Ca 0.42 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 1wvg h SER 1242Cb 0.43 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1wvg h SER 1242CO -0.27 0.59 0.26 1.23 -0.87 0.00 0.00 176.83 177.77 1wvg h GLY 1243N 0.89 0.78 0.83 -0.77 0.00 -0.64 -0.90 103.07 103.26 1wvg h GLY 1243Ca 0.21 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.20 1wvg h GLY 1243CO -0.03 0.36 0.41 -0.97 0.00 0.00 0.00 176.54 176.31 1wvg h TYR 1244N 0.69 0.77 0.51 5.60 -1.99 -0.39 0.11 116.97 122.28 1wvg h TYR 1244Ca 0.18 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.91 1wvg h TYR 1244Cb 0.09 -0.25 0.01 0.00 2.00 0.00 0.00 36.73 38.57 1wvg h TYR 1244CO -0.01 0.43 -0.25 0.82 -0.00 0.00 0.00 178.16 179.15 1wvg h ILE 1245N 0.80 0.44 -0.69 -2.88 2.04 -0.99 -0.96 117.51 115.27 1wvg h ILE 1245Ca 0.28 -0.28 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1wvg h ILE 1245Cb 0.06 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 36.61 1wvg h ILE 1245CO -0.12 0.04 0.30 0.58 0.00 0.00 0.00 178.15 178.95 1wvg h VAL 1246N -0.87 0.77 -0.75 1.67 2.07 -1.08 0.12 116.25 118.17 1wvg h VAL 1246Ca -0.07 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1wvg h VAL 1246Cb 0.60 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1wvg h VAL 1246CO 0.12 0.09 0.45 0.58 0.02 0.00 0.00 177.57 178.83 1wvg h VAL 1247N 0.49 1.02 -0.75 2.57 2.07 -0.83 -0.19 116.25 120.64 1wvg h VAL 1247Ca 0.35 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1wvg h VAL 1247Cb 0.44 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1wvg h VAL 1247CO -0.32 0.15 0.47 0.00 0.02 0.00 0.00 177.57 177.90 1wvg h ALA 1248N 1.36 0.95 -0.15 1.67 0.00 0.32 0.68 119.26 124.09 1wvg h ALA 1248Ca 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wvg h ALA 1248Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wvg h ALA 1248CO -0.16 0.39 0.08 1.96 0.00 0.00 0.00 179.25 181.51 1wvg h GLN 1249N 1.02 0.21 -0.56 0.00 4.20 0.45 -1.61 115.11 118.81 1wvg h GLN 1249Ca 0.27 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.96 1wvg h GLN 1249Cb -0.08 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1wvg h GLN 1249CO -0.05 0.24 0.36 0.00 -0.67 0.00 0.00 178.83 178.70 1wvg h ARG 1250N 0.13 0.71 -0.77 1.46 2.47 -0.67 -1.48 114.38 116.23 1wvg h ARG 1250Ca 0.05 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1wvg h ARG 1250Cb 0.09 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.21 1wvg h ARG 1250CO -0.01 0.47 0.50 -0.07 0.56 0.00 0.00 179.97 181.43 1wvg h LEU 1251N 0.73 0.86 0.58 3.04 3.38 -0.80 0.26 115.31 123.37 1wvg h LEU 1251Ca 0.21 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1wvg h LEU 1251Cb -0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1wvg h LEU 1251CO -0.06 0.62 -0.33 0.22 0.09 0.00 0.00 178.44 178.98 1wvg h TYR 1252N 1.02 -0.88 0.01 1.13 3.20 -0.79 0.49 116.97 121.16 1wvg h TYR 1252Ca 0.29 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.02 1wvg h TYR 1252Cb -0.08 0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.51 1wvg h TYR 1252CO -0.02 -0.50 -0.49 1.79 -1.64 0.00 0.00 178.16 177.29 1wvg h THR 1253N -0.84 1.49 0.00 1.81 1.35 -1.30 -3.38 112.91 112.03 1wvg h THR 1253Ca -0.08 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 1wvg h THR 1253Cb 0.67 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1wvg h THR 1253CO 0.09 0.59 -1.25 -0.62 -0.25 0.00 0.00 175.52 174.08 1wvg n GLU 1254N -4.31 0.53 0.00 4.72 1.02 0.88 -5.05 120.64 118.43 1wvg n GLU 1254Ca -0.10 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1wvg n GLU 1254Cb 0.63 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1wvg n GLU 1254CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wvg n GLY 1255N 1.25 2.69 0.22 0.62 0.00 0.16 -3.94 105.19 106.20 1wvg n GLY 1255Ca -0.00 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1wvg n GLY 1255CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wvg n ALA 1256N 10.27 0.24 -0.16 4.61 0.00 -1.26 0.22 120.51 134.43 1wvg n ALA 1256Ca 0.00 0.68 0.29 0.00 0.00 0.00 0.00 53.44 54.41 1wvg n ALA 1256Cb 0.00 -0.46 0.71 0.00 0.00 0.00 0.00 19.45 19.71 1wvg n ALA 1256CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1wvg h LYS 1257N 0.00 0.00 -0.33 0.00 1.79 -1.95 -0.21 116.57 115.87 1wvg h LYS 1257Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 1wvg h LYS 1257Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1wvg h LYS 1257CO -0.62 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 178.94 1wvg n PHE 1258N -3.98 0.61 -2.38 -1.35 3.01 0.13 -4.84 117.46 108.66 1wvg n PHE 1258Ca 0.19 -0.60 -0.37 0.00 1.01 0.00 0.00 57.45 57.68 1wvg n PHE 1258Cb 1.03 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 40.37 1wvg n PHE 1258CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wvg s SER 1259N -1.24 6.10 0.00 4.37 0.15 -0.09 -4.61 113.70 118.38 1wvg s SER 1259Ca 0.29 -1.94 0.00 0.00 0.70 0.00 0.00 55.95 55.00 1wvg s SER 1259Cb 0.18 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1wvg s SER 1259CO 0.14 -1.93 0.00 -1.84 1.20 0.00 0.00 173.24 170.81 1wvg n GLU 1260N 8.47 0.00 -3.22 5.44 0.28 -1.08 -4.85 120.64 125.67 1wvg n GLU 1260Ca 0.45 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.13 1wvg n GLU 1260Cb 0.47 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.28 1wvg n GLU 1260CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1wvg s GLY 1261N -1.27 2.30 -0.13 -1.84 0.00 -1.26 -1.68 107.32 103.44 1wvg s GLY 1261Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 44.72 44.58 1wvg s GLY 1261CO 0.00 0.11 0.30 -0.98 0.00 0.00 0.00 173.10 172.52 1wvg s TRP 1262N -1.95 -0.43 -0.06 1.90 0.52 0.01 -4.91 118.94 114.02 1wvg s TRP 1262Ca 0.52 0.97 -0.12 0.00 0.02 0.00 0.00 56.10 57.49 1wvg s TRP 1262Cb -0.10 0.11 -0.05 0.00 -1.15 0.00 0.00 33.47 32.27 1wvg s TRP 1262CO 0.19 -0.29 0.30 -0.80 0.02 0.00 0.00 176.95 176.37 1wvg s ASN 1263N 1.50 6.62 -0.09 2.95 0.01 -1.26 -0.59 114.94 124.08 1wvg s ASN 1263Ca -0.08 0.74 0.02 0.00 -0.71 0.00 0.00 52.86 52.83 1wvg s ASN 1263Cb -0.10 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.40 1wvg s ASN 1263CO -0.10 0.34 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.33 1wvg s PHE 1264N -0.94 1.75 0.07 2.20 0.40 -0.09 -4.61 117.98 116.78 1wvg s PHE 1264Ca 0.20 -0.76 -0.27 0.00 -0.60 0.00 0.00 56.93 55.50 1wvg s PHE 1264Cb -0.15 -1.28 0.09 0.00 0.51 0.00 0.00 43.02 42.19 1wvg s PHE 1264CO 0.09 -0.40 1.13 0.20 0.70 0.00 0.00 175.22 176.94 1wvg s GLY 1265N 0.90 -0.26 0.90 4.36 0.00 -1.26 -4.46 107.32 107.50 1wvg s GLY 1265Ca -0.09 0.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.79 1wvg s GLY 1265CO 0.00 0.76 1.16 2.56 0.00 0.00 0.00 173.10 177.59 1wvg s PRO 1266N -2.69 1.21 0.24 2.90 0.04 -1.26 -4.71 135.00 130.72 1wvg s PRO 1266Ca 0.15 0.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 1wvg s PRO 1266Cb 0.01 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1wvg s PRO 1266CO -0.00 -2.12 0.97 1.03 0.04 0.00 0.00 177.00 176.92 1wvg s ARG 1267N -5.41 4.80 0.26 4.56 0.52 -1.26 -4.92 118.95 117.49 1wvg s ARG 1267Ca 0.64 1.55 -0.02 0.00 -0.52 0.00 0.00 55.73 57.38 1wvg s ARG 1267Cb -0.13 -3.27 0.44 0.00 0.52 0.00 0.00 34.95 32.51 1wvg s ARG 1267CO 0.52 0.43 1.83 -0.44 0.02 0.00 0.00 175.30 177.67 1wvg h ASP 1268N 4.22 0.82 -1.14 0.23 5.19 -1.96 -0.17 116.42 123.61 1wvg h ASP 1268Ca -0.45 0.04 0.32 0.00 -0.62 0.00 0.00 57.03 56.32 1wvg h ASP 1268Cb 1.20 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.53 1wvg h ASP 1268CO 0.68 0.47 0.80 1.05 -3.12 0.00 0.00 179.24 179.12 1wvg h GLU 1269N 0.92 0.09 -0.68 3.56 4.11 -2.05 -0.19 114.58 120.35 1wvg h GLU 1269Ca 0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.86 1wvg h GLU 1269Cb 0.36 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1wvg h GLU 1269CO -0.24 0.06 0.00 -3.47 0.07 0.00 0.00 179.01 175.44 1wvg n ASP 1270N -4.30 2.13 -4.64 3.06 2.03 -0.07 -4.90 116.55 109.85 1wvg n ASP 1270Ca 0.25 -2.21 -0.40 0.00 0.52 0.00 0.00 54.79 52.96 1wvg n ASP 1270Cb 1.15 -0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 41.04 1wvg n ASP 1270CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wvg s ALA 1271N -1.60 3.57 0.28 -1.67 0.00 -0.08 -4.75 121.76 117.52 1wvg s ALA 1271Ca 0.17 -0.41 0.12 0.00 0.00 0.00 0.00 51.96 51.83 1wvg s ALA 1271Cb 0.12 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1wvg s ALA 1271CO 0.07 -0.63 -0.19 0.15 0.00 0.00 0.00 175.76 175.16 1wvg s LYS 1272N 2.09 1.68 0.64 0.00 -0.14 -1.26 -5.05 119.74 117.69 1wvg s LYS 1272Ca 0.25 -1.78 -0.06 0.00 -1.36 0.00 0.00 55.97 53.02 1wvg s LYS 1272Cb -0.16 -1.74 0.03 0.00 -1.68 0.00 0.00 37.83 34.28 1wvg s LYS 1272CO 0.09 0.31 0.95 0.95 -0.76 0.00 0.00 175.35 176.89 1wvg s THR 1273N -2.54 3.10 0.13 2.17 -4.23 -1.26 -3.99 115.64 109.02 1wvg s THR 1273Ca 0.30 -0.09 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 1wvg s THR 1273Cb -0.04 -3.27 -0.00 0.00 1.34 0.00 0.00 72.50 70.52 1wvg s THR 1273CO 0.15 -0.28 1.65 0.58 -0.54 0.00 0.00 174.62 176.17 1wvg h VAL 1274N -0.35 1.22 -0.35 2.29 2.07 -0.85 0.27 116.25 120.55 1wvg h VAL 1274Ca -0.45 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.39 1wvg h VAL 1274Cb 1.28 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1wvg h VAL 1274CO 0.60 0.26 0.09 -0.08 0.02 0.00 0.00 177.57 178.46 1wvg h GLU 1275N 0.53 0.21 -0.43 1.57 4.81 -0.54 0.21 114.58 120.93 1wvg h GLU 1275Ca 0.13 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1wvg h GLU 1275Cb 0.27 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1wvg h GLU 1275CO -0.00 0.14 0.16 0.35 -0.73 0.00 0.00 179.01 178.93 1wvg h PHE 1276N 0.22 0.29 -0.14 0.92 3.57 -1.68 -0.84 116.94 119.28 1wvg h PHE 1276Ca 0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1wvg h PHE 1276Cb 0.17 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1wvg h PHE 1276CO -0.17 0.12 0.07 0.82 -2.23 0.00 0.00 178.31 176.92 1wvg h ILE 1277N 0.34 1.01 -0.32 1.41 2.04 0.44 -0.68 117.51 121.75 1wvg h ILE 1277Ca 0.20 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 1wvg h ILE 1277Cb 0.18 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1wvg h ILE 1277CO -0.19 0.03 0.01 1.62 0.00 0.00 0.00 178.15 179.62 1wvg h VAL 1278N 0.16 1.18 0.74 1.67 3.04 -0.18 0.98 116.25 123.83 1wvg h VAL 1278Ca 0.05 -0.71 -0.04 0.00 -1.01 0.00 0.00 66.70 65.00 1wvg h VAL 1278Cb 0.00 0.93 0.01 0.00 -2.01 0.00 0.00 31.29 30.22 1wvg h VAL 1278CO -0.03 0.24 -0.36 0.44 -1.01 0.00 0.00 177.57 176.85 1wvg h ASP 1279N 0.47 -0.84 -0.68 3.17 3.32 -0.80 0.41 116.42 121.47 1wvg h ASP 1279Ca 0.10 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.30 1wvg h ASP 1279Cb 0.29 0.22 -0.10 0.00 0.22 0.00 0.00 39.33 39.95 1wvg h ASP 1279CO 0.01 -0.53 0.15 0.50 -1.72 0.00 0.00 179.24 177.65 1wvg h LYS 1280N -1.12 0.25 -0.58 3.56 3.11 -0.88 0.73 116.57 121.65 1wvg h LYS 1280Ca -0.10 -0.02 0.12 0.00 -2.81 0.00 0.00 60.65 57.84 1wvg h LYS 1280Cb 0.78 -0.06 -0.10 0.00 -1.00 0.00 0.00 32.23 31.86 1wvg h LYS 1280CO 0.17 0.17 -0.03 0.52 -2.81 0.00 0.00 179.45 177.46 1wvg h MET 1281N 0.26 0.08 0.31 1.90 2.86 -0.47 0.53 114.93 120.41 1wvg h MET 1281Ca 0.37 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1wvg h MET 1281Cb 0.60 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1wvg h MET 1281CO -0.47 0.06 -0.25 0.28 1.06 0.00 0.00 176.91 177.58 1wvg h VAL 1282N 0.09 0.46 -0.79 -2.22 2.07 0.13 1.01 116.25 117.01 1wvg h VAL 1282Ca 0.29 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.90 1wvg h VAL 1282Cb 0.46 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 1wvg h VAL 1282CO -0.52 0.00 0.45 0.74 0.02 0.00 0.00 177.57 178.26 1wvg h THR 1283N -0.58 0.93 -0.56 2.57 2.02 -0.62 -0.06 112.91 116.61 1wvg h THR 1283Ca -0.02 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 1wvg h THR 1283Cb 0.51 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1wvg h THR 1283CO -0.02 0.14 -0.00 -0.07 0.37 0.00 0.00 175.52 175.94 1wvg h LEU 1284N 0.77 0.95 0.28 2.58 4.07 0.78 -3.25 115.31 121.50 1wvg h LEU 1284Ca 0.37 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1wvg h LEU 1284Cb 0.30 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1wvg h LEU 1284CO -0.23 1.01 -0.13 -0.25 -1.08 0.00 0.00 178.44 177.76 1wvg h TRP 1285N 0.90 -0.35 0.00 1.13 2.91 0.26 -3.49 115.95 117.31 1wvg h TRP 1285Ca 0.16 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.18 1wvg h TRP 1285Cb 0.53 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 1wvg h TRP 1285CO 0.03 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 177.85 1wvg n GLY 1286N -0.13 0.61 5.24 2.65 0.00 -0.19 -5.02 105.19 108.35 1wvg n GLY 1286Ca -0.09 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1wvg n GLY 1286CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wvg n ASP 1287N 3.10 0.00 0.00 1.61 10.43 -1.26 -4.87 116.55 125.56 1wvg n ASP 1287Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1wvg n ASP 1287Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1wvg n ASP 1287CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wvg n ALA 1289N 0.67 0.00 -3.62 2.24 0.00 -1.26 -5.18 120.51 113.36 1wvg n ALA 1289Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1wvg n ALA 1289Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1wvg n ALA 1289CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wvg s SER 1290N 0.00 -0.10 0.24 0.00 1.04 -1.26 -4.96 113.70 108.66 1wvg s SER 1290Ca 0.00 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.20 1wvg s SER 1290Cb 0.00 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1wvg s SER 1290CO 0.00 -0.34 0.46 -1.66 0.98 0.00 0.00 173.24 172.68 1wvg s TRP 1291N -2.52 0.40 0.04 5.02 1.48 -1.26 -1.57 118.94 120.52 1wvg s TRP 1291Ca 0.12 -0.75 0.01 0.00 -1.06 0.00 0.00 56.10 54.42 1wvg s TRP 1291Cb 0.02 0.15 -0.02 0.00 -1.16 0.00 0.00 33.47 32.46 1wvg s TRP 1291CO -0.04 -0.97 -0.06 -0.48 -4.06 0.00 0.00 176.95 171.35 1wvg s LEU 1292N -3.02 2.27 -0.20 -4.66 0.05 1.34 -4.84 118.68 109.61 1wvg s LEU 1292Ca 0.23 -0.57 -0.23 0.00 0.05 0.00 0.00 54.13 53.62 1wvg s LEU 1292Cb -0.00 -0.05 -0.02 0.00 -2.05 0.00 0.00 46.19 44.07 1wvg s LEU 1292CO 0.09 -0.27 0.72 -0.22 -0.55 0.00 0.00 176.35 176.12 1wvg s LEU 1293N -1.64 4.14 0.00 1.48 2.96 -1.26 0.66 118.68 125.01 1wvg s LEU 1293Ca -0.11 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1wvg s LEU 1293Cb -0.09 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.57 1wvg s LEU 1293CO -0.01 -0.36 0.00 -0.90 -1.32 0.00 0.00 176.35 173.77 1wvg n ASP 1294N 5.31 -0.75 -1.20 3.68 5.68 -1.05 -4.91 116.55 123.31 1wvg n ASP 1294Ca 0.01 -0.55 0.11 0.00 -0.50 0.00 0.00 54.79 53.87 1wvg n ASP 1294Cb 0.49 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.75 1wvg n ASP 1294CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wvg n GLY 1295N 2.96 1.97 0.00 6.12 0.00 -1.26 -4.98 105.19 110.00 1wvg n GLY 1295Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1wvg n GLY 1295CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wvg n GLU 1296N 1.45 0.16 -2.85 1.61 0.28 -1.26 -5.00 120.64 115.03 1wvg n GLU 1296Ca 0.22 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.80 1wvg n GLU 1296Cb 0.57 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.41 1wvg n GLU 1296CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1wvg s ASN 1297N -1.00 7.14 -0.70 -1.84 2.47 -1.26 -4.98 114.94 114.76 1wvg s ASN 1297Ca 0.00 1.38 0.01 0.00 0.42 0.00 0.00 52.86 54.67 1wvg s ASN 1297Cb 0.00 -2.49 0.17 0.00 -1.45 0.00 0.00 41.25 37.48 1wvg s ASN 1297CO 0.00 -0.28 0.52 -1.00 -3.72 0.00 0.00 177.10 172.61 1wvg s HIS 1298N 1.39 3.54 0.49 0.43 3.76 -1.26 -4.80 115.29 118.84 1wvg s HIS 1298Ca 0.44 -3.05 -0.20 0.00 -0.15 0.00 0.00 55.06 52.10 1wvg s HIS 1298Cb -0.19 -3.02 -0.08 0.00 1.11 0.00 0.00 32.58 30.41 1wvg s HIS 1298CO 0.20 -0.72 1.03 -1.25 -0.85 0.00 0.00 174.74 173.15 1wvg s PRO 1299N -0.84 3.81 0.00 8.40 0.04 -1.26 -4.95 135.00 140.20 1wvg s PRO 1299Ca 0.22 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1wvg s PRO 1299Cb -0.14 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1wvg s PRO 1299CO -0.09 -0.41 0.00 0.72 0.04 0.00 0.00 177.00 177.26 1wvg n HIS 1300N -1.07 0.00 0.00 0.56 8.25 -1.26 -4.44 115.22 117.26 1wvg n HIS 1300Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1wvg n HIS 1300Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1wvg n HIS 1300CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1wvg n HIS 1303N 0.00 0.00 -3.59 4.41 1.44 -1.26 -4.91 115.22 111.30 1wvg n HIS 1303Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 1wvg n HIS 1303Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 1wvg n HIS 1303CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1wvg s TYR 1304N 0.00 -0.41 -0.08 -1.40 -0.85 -1.25 -4.98 117.35 108.38 1wvg s TYR 1304Ca 0.00 0.49 -0.30 0.00 -0.52 0.00 0.00 57.07 56.75 1wvg s TYR 1304Cb 0.00 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 1wvg s TYR 1304CO 0.00 -0.61 1.47 -1.17 -1.52 0.00 0.00 175.55 173.71 1wvg s LEU 1305N -1.85 4.27 0.15 -3.49 0.20 -1.26 -4.80 118.68 111.90 1wvg s LEU 1305Ca -0.06 2.02 -0.06 0.00 0.69 0.00 0.00 54.13 56.72 1wvg s LEU 1305Cb -0.01 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.19 1wvg s LEU 1305CO -0.00 -0.83 0.19 -1.59 -0.29 0.00 0.00 176.35 173.84 1wvg s LYS 1306N 3.52 1.06 0.07 1.98 -2.85 -1.26 -4.65 119.74 117.61 1wvg s LYS 1306Ca 0.65 -1.27 0.09 0.00 -1.00 0.00 0.00 55.97 54.43 1wvg s LYS 1306Cb -0.29 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 35.77 1wvg s LYS 1306CO 0.24 -0.36 -0.23 -0.51 0.10 0.00 0.00 175.35 174.59 1wvg s LEU 1307N -3.00 2.41 -0.24 2.77 1.43 -1.26 -0.85 118.68 119.94 1wvg s LEU 1307Ca 0.20 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1wvg s LEU 1307Cb 0.05 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 1wvg s LEU 1307CO 0.01 0.23 0.43 -0.62 0.23 0.00 0.00 176.35 176.63 1wvg s ASP 1308N -1.57 6.38 -0.14 2.29 -1.08 0.29 -4.66 116.67 118.18 1wvg s ASP 1308Ca 0.14 0.45 0.17 0.00 -0.52 0.00 0.00 52.55 52.79 1wvg s ASP 1308Cb -0.10 -2.24 0.69 0.00 -1.46 0.00 0.00 42.92 39.80 1wvg s ASP 1308CO 0.05 -0.18 1.60 0.00 0.52 0.00 0.00 175.17 177.16 1wvg h SER 1310N 3.60 0.50 -0.68 0.00 0.02 -1.93 -1.43 113.55 113.63 1wvg h SER 1310Ca 0.00 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1wvg h SER 1310Cb 1.51 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 64.04 1wvg h SER 1310CO 0.27 0.21 0.33 0.50 -1.14 0.00 0.00 176.83 177.00 1wvg h LYS 1311N 0.60 0.97 -0.14 3.45 3.64 -1.93 -0.63 116.57 122.54 1wvg h LYS 1311Ca 0.45 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1wvg h LYS 1311Cb 0.63 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1wvg h LYS 1311CO -0.36 0.77 -0.18 0.00 -2.27 0.00 0.00 179.45 177.41 1wvg h ALA 1312N 1.16 0.21 0.24 5.00 0.00 -1.69 0.54 119.26 124.72 1wvg h ALA 1312Ca 0.23 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1wvg h ALA 1312Cb 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1wvg h ALA 1312CO -0.03 0.12 -0.36 -0.91 0.00 0.00 0.00 179.25 178.08 1wvg h ASN 1313N -0.01 -1.00 0.04 0.00 -0.26 -1.23 0.14 115.58 113.26 1wvg h ASN 1313Ca 0.02 0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1wvg h ASN 1313Cb 0.72 0.36 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1wvg h ASN 1313CO 0.04 -0.47 -0.02 -0.03 -1.06 0.00 0.00 177.43 175.89 1wvg h MET 1314N -0.66 -0.06 -0.00 0.81 4.05 -1.15 0.89 114.93 118.81 1wvg h MET 1314Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1wvg h MET 1314Cb 0.64 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1wvg h MET 1314CO -0.14 0.25 -0.63 1.04 0.23 0.00 0.00 176.91 177.67 1wvg n GLN 1315N -4.97 0.25 0.00 0.39 6.02 0.19 -4.07 117.38 115.19 1wvg n GLN 1315Ca -0.08 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1wvg n GLN 1315Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1wvg n GLN 1315CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wvg n LEU 1316N -1.22 0.22 -1.18 1.08 4.77 0.35 -4.95 117.00 116.07 1wvg n LEU 1316Ca 0.06 -0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 55.33 1wvg n LEU 1316Cb 0.35 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.39 1wvg n LEU 1316CO 0.36 0.05 -0.14 0.61 -1.33 0.00 0.00 177.39 176.94 1wvg n GLY 1317N 0.70 1.22 3.74 -0.72 0.00 0.30 -4.96 105.19 105.48 1wvg n GLY 1317Ca 0.00 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1wvg n GLY 1317CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1wvg s TRP 1318N -2.56 3.86 -0.04 1.61 -0.00 -0.45 -4.91 118.94 116.44 1wvg s TRP 1318Ca 0.00 1.75 -0.07 0.00 -0.00 0.00 0.00 56.10 57.78 1wvg s TRP 1318Cb 0.00 -2.96 0.01 0.00 -0.00 0.00 0.00 33.47 30.52 1wvg s TRP 1318CO 0.00 0.32 0.17 -1.01 -0.00 0.00 0.00 176.95 176.44 1wvg s HIS 1319N -0.46 -0.12 0.70 5.86 3.76 -1.26 -3.26 115.29 120.50 1wvg s HIS 1319Ca 0.43 0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 55.49 1wvg s HIS 1319Cb -0.23 0.03 0.02 0.00 1.11 0.00 0.00 32.58 33.51 1wvg s HIS 1319CO 0.29 -0.17 1.10 -1.25 -0.85 0.00 0.00 174.74 173.86 1wvg s PRO 1320N -0.43 2.62 -0.18 8.40 0.04 -1.26 -4.99 135.00 139.19 1wvg s PRO 1320Ca -0.05 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 1wvg s PRO 1320Cb -0.03 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1wvg s PRO 1320CO 0.01 -1.38 -0.20 0.54 0.04 0.00 0.00 177.00 176.01 1wvg n ARG 1321N -2.78 0.43 -3.91 4.56 5.12 -1.26 -5.03 116.66 113.78 1wvg n ARG 1321Ca 0.10 0.14 -0.34 0.00 -1.93 0.00 0.00 57.85 55.82 1wvg n ARG 1321Cb 0.52 -1.28 -0.05 0.00 -1.16 0.00 0.00 32.46 30.50 1wvg n ARG 1321CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1wvg s TRP 1322N -2.35 3.54 0.43 -1.55 0.51 -1.26 -5.10 118.94 113.17 1wvg s TRP 1322Ca -0.25 0.37 -0.09 0.00 -2.12 0.00 0.00 56.10 54.00 1wvg s TRP 1322Cb 0.08 -1.83 -0.06 0.00 -0.81 0.00 0.00 33.47 30.85 1wvg s TRP 1322CO 0.38 0.65 0.79 0.20 -0.51 0.00 0.00 176.95 178.45 1wvg s GLY 1323N -1.86 1.81 0.15 0.98 0.00 -1.26 -4.88 107.32 102.26 1wvg s GLY 1323Ca 0.26 -0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.41 1wvg s GLY 1323CO 0.17 -0.09 1.51 -2.00 0.00 0.00 0.00 173.10 172.69 1wvg h LEU 1324N 0.92 -2.00 -0.39 0.66 5.85 -1.92 -1.77 115.31 116.66 1wvg h LEU 1324Ca -0.47 0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1wvg h LEU 1324Cb 1.19 0.88 -0.09 0.00 0.37 0.00 0.00 40.66 43.01 1wvg h LEU 1324CO 0.63 -0.24 -0.42 0.74 -0.34 0.00 0.00 178.44 178.81 1wvg h THR 1325N -0.06 0.12 -0.46 1.05 2.02 -1.96 -0.48 112.91 113.14 1wvg h THR 1325Ca 0.14 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.41 1wvg h THR 1325Cb 0.41 0.12 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 1wvg h THR 1325CO -0.84 0.00 -0.15 -0.08 0.37 0.00 0.00 175.52 174.82 1wvg h GLU 1326N -0.33 -0.04 -0.71 6.66 4.81 -1.74 -0.83 114.58 122.40 1wvg h GLU 1326Ca 0.14 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 1wvg h GLU 1326Cb 0.58 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 1wvg h GLU 1326CO -0.56 -0.03 0.39 1.15 -0.73 0.00 0.00 179.01 179.23 1wvg h THR 1327N -0.05 0.93 0.33 0.32 2.02 -0.64 0.36 112.91 116.18 1wvg h THR 1327Ca 0.22 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1wvg h THR 1327Cb 0.39 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1wvg h THR 1327CO -0.50 0.13 -0.16 -0.07 0.37 0.00 0.00 175.52 175.28 1wvg h LEU 1328N 0.69 -0.39 -0.36 2.58 3.38 -0.10 0.11 115.31 121.22 1wvg h LEU 1328Ca 0.33 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.35 1wvg h LEU 1328Cb 0.26 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1wvg h LEU 1328CO -0.22 -0.28 0.15 0.77 0.09 0.00 0.00 178.44 178.96 1wvg h SER 1329N -0.45 0.19 -0.77 -0.43 4.64 -0.76 0.37 113.55 116.33 1wvg h SER 1329Ca -0.04 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.37 1wvg h SER 1329Cb 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 1wvg h SER 1329CO 0.07 0.14 0.51 0.03 -0.87 0.00 0.00 176.83 176.71 1wvg h ARG 1330N 0.31 0.80 0.05 4.77 3.08 -0.77 1.14 114.38 123.77 1wvg h ARG 1330Ca 0.16 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1wvg h ARG 1330Cb 0.11 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1wvg h ARG 1330CO -0.14 0.53 -0.03 0.82 -1.07 0.00 0.00 179.97 180.08 1wvg h ILE 1331N 0.82 1.10 -0.26 2.04 2.04 0.11 -0.49 117.51 122.88 1wvg h ILE 1331Ca 0.33 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1wvg h ILE 1331Cb 0.25 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1wvg h ILE 1331CO -0.12 0.13 0.15 0.58 0.00 0.00 0.00 178.15 178.89 1wvg h VAL 1332N -0.29 1.11 -0.84 1.67 2.07 0.66 -1.72 116.25 118.91 1wvg h VAL 1332Ca -0.01 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1wvg h VAL 1332Cb 0.26 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1wvg h VAL 1332CO 0.01 0.11 0.52 0.11 0.02 0.00 0.00 177.57 178.34 1wvg h LYS 1333N 0.31 1.12 -0.11 1.57 1.57 0.14 -2.38 116.57 118.79 1wvg h LYS 1333Ca 0.09 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1wvg h LYS 1333Cb 0.04 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1wvg h LYS 1333CO -0.02 0.77 -0.35 2.35 -0.57 0.00 0.00 179.45 181.64 1wvg h TRP 1334N 1.15 0.26 0.06 -1.35 7.01 -0.76 -2.10 115.95 120.22 1wvg h TRP 1334Ca 0.30 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 1wvg h TRP 1334Cb -0.08 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 26.92 1wvg h TRP 1334CO 0.00 0.55 -0.03 1.25 -2.79 0.00 0.00 178.44 177.43 1wvg h HIS 1335N 0.20 -0.08 0.24 2.65 2.76 -0.82 -2.47 115.15 117.64 1wvg h HIS 1335Ca 0.02 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1wvg h HIS 1335Cb 0.71 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 1wvg h HIS 1335CO 0.01 0.18 -0.33 0.87 -1.30 0.00 0.00 177.93 177.37 1wvg h LYS 1336N -0.33 -0.61 -0.83 5.26 1.57 -1.44 0.11 116.57 120.30 1wvg h LYS 1336Ca -0.01 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.97 1wvg h LYS 1336Cb 0.30 0.14 -0.15 0.00 0.08 0.00 0.00 32.23 32.59 1wvg h LYS 1336CO 0.01 -0.40 -0.28 0.00 -0.57 0.00 0.00 179.45 178.21 1wvg h ALA 1337N -0.07 0.33 0.34 3.86 0.00 -1.38 0.15 119.26 122.50 1wvg h ALA 1337Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wvg h ALA 1337Cb 0.61 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1wvg h ALA 1337CO -0.12 -0.51 -0.38 2.35 0.00 0.00 0.00 179.25 180.59 1wvg h TRP 1338N -0.04 -1.02 -0.71 0.00 7.01 -0.75 0.65 115.95 121.09 1wvg h TRP 1338Ca 0.36 0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.51 1wvg h TRP 1338Cb 0.60 0.40 -0.10 0.00 -2.10 0.00 0.00 29.16 27.96 1wvg h TRP 1338CO -0.71 -0.52 0.17 0.82 -2.79 0.00 0.00 178.44 175.41 1wvg h ILE 1339N -0.75 0.55 0.00 2.65 2.04 0.63 0.15 117.51 122.77 1wvg h ILE 1339Ca -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1wvg h ILE 1339Cb 0.69 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1wvg h ILE 1339CO -0.08 0.05 0.00 0.54 0.00 0.00 0.00 178.15 178.66 1wvg n ARG 1340N -5.14 0.56 -0.67 2.37 1.74 0.37 -4.87 116.66 111.03 1wvg n ARG 1340Ca 0.13 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1wvg n ARG 1340Cb 0.42 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1wvg n ARG 1340CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wvg n GLY 1341N 0.43 0.60 3.77 -0.13 0.00 0.04 -5.06 105.19 104.84 1wvg n GLY 1341Ca 0.14 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1wvg n GLY 1341CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wvg s GLU 1342N -1.17 2.49 -0.42 1.61 2.02 0.20 -4.91 118.70 118.51 1wvg s GLU 1342Ca 0.00 1.22 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 1wvg s GLU 1342Cb 0.00 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.31 1wvg s GLU 1342CO 0.00 -1.47 1.47 0.34 0.02 0.00 0.00 175.26 175.62 1wvg s ASP 1343N -3.16 6.24 0.44 -0.19 -1.08 -1.26 -4.68 116.67 112.98 1wvg s ASP 1343Ca 0.63 0.84 0.23 0.00 -0.52 0.00 0.00 52.55 53.73 1wvg s ASP 1343Cb -0.18 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.66 1wvg s ASP 1343CO 0.51 -1.51 1.83 0.24 0.52 0.00 0.00 175.17 176.76 1wvg h MET 1344N 11.09 0.00 -0.40 4.34 2.86 -1.91 -2.44 114.93 128.47 1wvg h MET 1344Ca -0.28 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.31 1wvg h MET 1344Cb 1.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 1wvg h MET 1344CO 1.09 0.24 0.04 1.25 1.06 0.00 0.00 176.91 180.59 1wvg h LEU 1345N 0.00 0.65 -0.14 1.22 5.85 -1.87 0.11 115.31 121.13 1wvg h LEU 1345Ca -0.00 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1wvg h LEU 1345Cb 0.74 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1wvg h LEU 1345CO 0.03 0.76 0.06 0.40 -0.34 0.00 0.00 178.44 179.35 1wvg h ILE 1346N 0.51 1.13 -0.38 4.05 5.03 -1.91 -0.22 117.51 125.72 1wvg h ILE 1346Ca 0.12 -0.38 -0.05 0.00 -0.12 0.00 0.00 64.86 64.43 1wvg h ILE 1346Cb 0.40 1.13 -0.02 0.00 -3.03 0.00 0.00 36.82 35.31 1wvg h ILE 1346CO 0.01 0.12 0.04 0.00 -0.68 0.00 0.00 178.15 177.65 1wvg h SER 1348N 0.57 0.94 -0.38 0.00 0.02 -0.39 -1.81 113.55 112.50 1wvg h SER 1348Ca 0.13 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1wvg h SER 1348Cb 0.30 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1wvg h SER 1348CO 0.00 0.92 0.20 0.11 -1.14 0.00 0.00 176.83 176.93 1wvg h LYS 1349N 0.95 0.53 0.00 3.45 1.57 -0.19 -1.92 116.57 120.97 1wvg h LYS 1349Ca 0.20 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1wvg h LYS 1349Cb 0.35 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1wvg h LYS 1349CO 0.00 0.45 -0.23 0.00 -0.57 0.00 0.00 179.45 179.09 1wvg h ARG 1350N 0.48 0.00 -0.61 3.15 -0.00 -0.91 -1.19 114.38 115.31 1wvg h ARG 1350Ca 0.13 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.58 1wvg h ARG 1350Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.02 1wvg h ARG 1350CO -0.02 0.23 0.24 1.49 0.00 0.00 0.00 179.97 181.92 1wvg h GLU 1351N 0.00 0.91 -0.02 0.04 4.57 -0.53 0.15 114.58 119.70 1wvg h GLU 1351Ca -0.00 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1wvg h GLU 1351Cb 0.50 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1wvg h GLU 1351CO 0.03 0.77 -0.01 0.82 -1.18 0.00 0.00 179.01 179.45 1wvg h ILE 1352N 0.85 1.30 -0.67 2.32 2.04 -1.18 -1.77 117.51 120.40 1wvg h ILE 1352Ca 0.20 -0.92 0.12 0.00 1.00 0.00 0.00 64.86 65.27 1wvg h ILE 1352Cb 0.20 1.87 -0.09 0.00 -0.74 0.00 0.00 36.82 38.07 1wvg h ILE 1352CO -0.02 0.24 0.22 -1.28 0.00 0.00 0.00 178.15 177.31 1wvg h SER 1353N -0.32 0.15 -0.62 1.72 0.87 -0.98 0.31 113.55 114.68 1wvg h SER 1353Ca 0.01 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 1wvg h SER 1353Cb 0.40 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1wvg h SER 1353CO 0.00 0.07 0.08 0.44 -0.53 0.00 0.00 176.83 176.88 1wvg h ASP 1354N 0.36 1.01 -0.60 6.23 3.32 -0.50 -2.37 116.42 123.87 1wvg h ASP 1354Ca 0.36 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1wvg h ASP 1354Cb 0.53 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1wvg h ASP 1354CO -0.39 1.03 0.14 0.22 -1.72 0.00 0.00 179.24 178.52 1wvg h TYR 1355N 0.95 1.04 0.00 4.55 3.20 -0.28 -1.79 116.97 124.64 1wvg h TYR 1355Ca 0.19 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1wvg h TYR 1355Cb 0.47 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1wvg h TYR 1355CO 0.03 0.86 0.00 -1.33 -1.64 0.00 0.00 178.16 176.09 1wvg n MET 1356N -4.24 0.22 0.00 1.82 2.81 0.98 -5.07 117.12 113.63 1wvg n MET 1356Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1wvg n MET 1356Cb 0.25 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 1wvg n MET 1356CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91