#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqq n GLU 988 N 0.00 0.07 0.00 -1.24 1.02 -1.26 -0.79 120.64 118.44 1rqq n GLU 988 Ca 0.00 0.27 0.11 0.00 -0.02 0.00 0.00 57.16 57.52 1rqq n GLU 988 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1rqq n GLU 988 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1rqq n TRP 989 N -1.39 0.00 -1.79 -0.32 7.02 -1.26 -4.98 117.44 114.73 1rqq n TRP 989 Ca 0.03 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.11 1rqq n TRP 989 Cb 0.09 -0.01 0.01 0.00 -2.42 0.00 0.00 31.31 28.98 1rqq n TRP 989 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1rqq s GLU 990 N -2.59 3.85 -0.00 -0.99 2.56 0.03 -1.13 118.70 120.43 1rqq s GLU 990 Ca 0.17 2.50 0.01 0.00 0.00 0.00 0.00 54.97 57.65 1rqq s GLU 990 Cb 0.18 -2.78 -0.00 0.00 2.00 0.00 0.00 34.13 33.52 1rqq s GLU 990 CO 0.63 -0.72 -0.04 0.14 -0.56 0.00 0.00 175.26 174.71 1rqq s VAL 991 N -1.17 0.33 0.15 3.70 -7.23 0.14 -4.80 120.40 111.52 1rqq s VAL 991 Ca 0.58 -0.17 -0.31 0.00 -1.81 0.00 0.00 61.98 60.26 1rqq s VAL 991 Cb -0.45 -0.28 -0.11 0.00 0.56 0.00 0.00 36.38 36.10 1rqq s VAL 991 CO 0.60 0.09 1.74 -0.44 -0.31 0.00 0.00 175.10 176.78 1rqq s SER 992 N -0.09 6.45 0.17 4.85 0.01 -1.26 -4.48 113.70 119.36 1rqq s SER 992 Ca 0.01 2.74 0.10 0.00 1.31 0.00 0.00 55.95 60.12 1rqq s SER 992 Cb -0.02 -2.58 0.56 0.00 0.21 0.00 0.00 66.02 64.19 1rqq s SER 992 CO -0.00 -0.96 1.28 -1.14 0.41 0.00 0.00 173.24 172.83 1rqq n ARG 993 N 4.95 0.07 0.10 12.44 0.63 -1.26 -0.58 116.66 133.00 1rqq n ARG 993 Ca 0.16 0.54 -0.02 0.00 -0.92 0.00 0.00 57.85 57.62 1rqq n ARG 993 Cb 0.38 -1.78 -0.04 0.00 0.45 0.00 0.00 32.46 31.46 1rqq n ARG 993 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1rqq h GLU 994 N 0.00 0.00 0.00 -0.14 3.07 -2.03 -3.13 114.58 112.35 1rqq h GLU 994 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rqq h GLU 994 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1rqq h GLU 994 CO 0.00 0.68 0.00 1.63 -1.40 0.00 0.00 179.01 179.92 1rqq n LYS 995 N -3.25 0.30 -4.45 2.33 4.01 0.25 -4.76 118.16 112.61 1rqq n LYS 995 Ca -0.00 0.07 -0.35 0.00 -0.51 0.00 0.00 58.31 57.52 1rqq n LYS 995 Cb 0.83 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 33.75 1rqq n LYS 995 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1rqq s ILE 996 N -2.60 4.11 -0.05 -0.18 -1.09 -1.18 -1.06 121.20 119.15 1rqq s ILE 996 Ca 0.21 -0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.29 1rqq s ILE 996 Cb 0.16 -2.72 0.03 0.00 -1.58 0.00 0.00 42.46 38.35 1rqq s ILE 996 CO 0.36 0.60 0.08 0.42 -1.23 0.00 0.00 174.94 175.17 1rqq s THR 997 N -0.80 -0.13 -0.05 2.92 -4.23 -0.75 -5.00 115.64 107.60 1rqq s THR 997 Ca 0.12 0.38 -0.26 0.00 -1.18 0.00 0.00 61.69 60.76 1rqq s THR 997 Cb -0.11 -0.17 -0.03 0.00 1.34 0.00 0.00 72.50 73.52 1rqq s THR 997 CO 0.02 0.16 0.79 -0.76 -0.54 0.00 0.00 174.62 174.29 1rqq s LEU 998 N 2.02 4.33 -0.05 4.79 1.43 -1.26 -0.27 118.68 129.66 1rqq s LEU 998 Ca 0.02 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 54.42 1rqq s LEU 998 Cb -0.12 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 1rqq s LEU 998 CO -0.04 -0.17 -0.07 0.18 0.23 0.00 0.00 176.35 176.48 1rqq n LEU 999 N 3.88 0.69 0.00 1.79 7.99 0.12 -4.94 117.00 126.54 1rqq n LEU 999 Ca 0.01 0.37 -0.09 0.00 -0.01 0.00 0.00 56.01 56.29 1rqq n LEU 999 Cb 0.51 -0.64 -0.04 0.00 -0.11 0.00 0.00 43.42 43.15 1rqq n LEU 999 CO 0.49 -0.48 -0.05 -2.11 -1.51 0.00 0.00 177.39 173.73 1rqq n ARG 1000N -3.15 0.23 -3.99 3.23 1.85 -1.14 -4.99 116.66 108.69 1rqq n ARG 1000Ca -0.03 -1.55 -0.35 0.00 -1.00 0.00 0.00 57.85 54.93 1rqq n ARG 1000Cb 0.11 1.24 -0.10 0.00 -1.05 0.00 0.00 32.46 32.66 1rqq n ARG 1000CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1rqq s GLU 1001N -2.63 3.97 -0.11 2.89 2.02 -1.26 -1.55 118.70 122.02 1rqq s GLU 1001Ca 0.18 -0.35 -0.08 0.00 0.02 0.00 0.00 54.97 54.74 1rqq s GLU 1001Cb 0.01 -3.22 -0.27 0.00 0.10 0.00 0.00 34.13 30.75 1rqq s GLU 1001CO 0.13 0.26 0.43 -0.07 0.02 0.00 0.00 175.26 176.02 1rqq h LEU 1002N 6.74 0.44 0.00 1.80 3.38 -0.47 -3.46 115.31 123.74 1rqq h LEU 1002Ca -0.37 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.67 1rqq h LEU 1002Cb 1.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1rqq h LEU 1002CO 0.70 1.83 0.00 0.61 0.09 0.00 0.00 178.44 181.67 1rqq n GLY 1003N 1.94 0.89 3.77 0.83 0.00 -0.94 -5.02 105.19 106.66 1rqq n GLY 1003Ca -0.30 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 1rqq n GLY 1003CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rqq s GLN 1004N -2.00 4.30 0.39 1.61 0.74 -1.26 -0.74 119.66 122.70 1rqq s GLN 1004Ca 0.00 0.73 0.08 0.00 0.05 0.00 0.00 55.36 56.21 1rqq s GLN 1004Cb 0.00 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.77 1rqq s GLN 1004CO 0.00 0.40 0.43 0.20 -0.55 0.00 0.00 175.29 175.77 1rqq s GLY 1005N -0.31 1.96 0.46 2.59 0.00 0.11 -4.92 107.32 107.21 1rqq s GLY 1005Ca 0.31 -1.73 0.19 0.00 0.00 0.00 0.00 44.72 43.48 1rqq s GLY 1005CO 0.17 -1.58 1.93 1.48 0.00 0.00 0.00 173.10 175.11 1rqq h SER 1006N 0.94 0.28 0.00 1.64 4.64 -1.99 -3.18 113.55 115.88 1rqq h SER 1006Ca -0.42 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 60.78 1rqq h SER 1006Cb 1.27 -0.04 -0.27 0.00 -0.31 0.00 0.00 62.40 63.05 1rqq h SER 1006CO 0.53 0.14 -0.79 2.22 -0.87 0.00 0.00 176.83 178.07 1rqq n PHE 1007N -4.45 0.00 -3.86 4.77 1.16 -1.26 -5.10 117.46 108.72 1rqq n PHE 1007Ca 0.14 -0.40 -0.04 0.00 -1.87 0.00 0.00 57.45 55.27 1rqq n PHE 1007Cb 0.57 -0.01 0.02 0.00 -1.61 0.00 0.00 39.48 38.45 1rqq n PHE 1007CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1rqq s GLY 1008N -1.60 0.12 -0.01 4.97 0.00 -1.20 -1.75 107.32 107.84 1rqq s GLY 1008Ca 0.22 -0.35 0.06 0.00 0.00 0.00 0.00 44.72 44.65 1rqq s GLY 1008CO -0.11 1.92 -0.20 -0.29 0.00 0.00 0.00 173.10 174.42 1rqq s MET 1009N -2.28 1.62 -0.22 2.90 1.75 -1.18 0.05 119.30 121.95 1rqq s MET 1009Ca 0.20 -0.73 -0.07 0.00 -1.25 0.00 0.00 55.69 53.84 1rqq s MET 1009Cb -0.03 -1.58 -0.03 0.00 2.84 0.00 0.00 34.83 36.03 1rqq s MET 1009CO 0.06 0.43 0.05 0.08 -0.65 0.00 0.00 175.02 174.99 1rqq s VAL 1010N -0.49 4.33 0.24 10.11 1.01 0.08 -2.25 120.40 133.43 1rqq s VAL 1010Ca 0.08 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1rqq s VAL 1010Cb -0.08 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1rqq s VAL 1010CO -0.01 0.39 -0.08 -0.31 0.00 0.00 0.00 175.10 175.09 1rqq s TYR 1011N 1.16 2.58 0.09 5.22 1.51 -0.12 0.28 117.35 128.06 1rqq s TYR 1011Ca 0.04 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1rqq s TYR 1011Cb -0.14 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1rqq s TYR 1011CO 0.03 0.60 0.19 -2.00 -1.11 0.00 0.00 175.55 173.26 1rqq s GLU 1012N -3.35 3.28 0.01 -0.62 2.12 -0.60 0.31 118.70 119.85 1rqq s GLU 1012Ca 0.29 -0.56 -0.01 0.00 0.36 0.00 0.00 54.97 55.05 1rqq s GLU 1012Cb -0.07 -2.93 0.00 0.00 0.26 0.00 0.00 34.13 31.40 1rqq s GLU 1012CO 0.17 0.57 0.06 0.41 -0.54 0.00 0.00 175.26 175.93 1rqq n GLY 1013N 0.11 1.13 3.41 -1.50 0.00 -0.46 0.16 105.19 108.04 1rqq n GLY 1013Ca -0.06 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 1rqq n GLY 1013CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rqq s ASN 1014N -1.13 3.33 -0.07 1.61 -0.87 0.63 -0.85 114.94 117.60 1rqq s ASN 1014Ca 0.01 -0.84 -0.01 0.00 -1.57 0.00 0.00 52.86 50.45 1rqq s ASN 1014Cb -0.00 -0.24 0.03 0.00 -0.02 0.00 0.00 41.25 41.02 1rqq s ASN 1014CO 0.00 0.12 -0.02 0.00 -2.57 0.00 0.00 177.10 174.63 1rqq s ALA 1015N -1.59 0.74 -0.09 0.60 0.00 -0.31 -1.80 121.76 119.31 1rqq s ALA 1015Ca 0.19 -0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 1rqq s ALA 1015Cb -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 1rqq s ALA 1015CO 0.09 -0.35 0.73 1.03 0.00 0.00 0.00 175.76 177.26 1rqq s ARG 1016N 1.69 4.41 -1.41 0.00 0.52 -0.23 -0.23 118.95 123.70 1rqq s ARG 1016Ca 0.01 0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 56.09 1rqq s ARG 1016Cb -0.13 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.87 1rqq s ARG 1016CO -0.04 -0.02 0.35 -3.47 0.02 0.00 0.00 175.30 172.15 1rqq n ASP 1017N 4.07 -0.56 0.03 0.23 -0.08 0.24 -4.87 116.55 115.60 1rqq n ASP 1017Ca -0.00 -1.09 0.07 0.00 -1.51 0.00 0.00 54.79 52.26 1rqq n ASP 1017Cb 0.51 -2.64 -0.09 0.00 2.34 0.00 0.00 41.12 41.24 1rqq n ASP 1017CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1rqq n ILE 1018N -4.47 0.56 -3.97 5.18 -6.64 -1.26 -4.77 119.36 103.99 1rqq n ILE 1018Ca -0.29 -0.59 -0.30 0.00 -1.77 0.00 0.00 62.75 59.81 1rqq n ILE 1018Cb 0.68 -0.29 -0.16 0.00 -1.44 0.00 0.00 39.64 38.42 1rqq n ILE 1018CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1rqq s ILE 1019N -3.26 1.49 -0.02 7.28 1.01 -1.26 -5.00 121.20 121.43 1rqq s ILE 1019Ca -0.05 -0.86 -0.37 0.00 0.00 0.00 0.00 60.65 59.37 1rqq s ILE 1019Cb 0.11 -1.58 -0.15 0.00 0.01 0.00 0.00 42.46 40.85 1rqq s ILE 1019CO 0.84 0.19 1.56 2.29 0.00 0.00 0.00 174.94 179.83 1rqq n LYS 1020N 4.74 1.47 0.00 2.79 -0.00 -1.26 -0.73 118.16 125.17 1rqq n LYS 1020Ca -0.14 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 1rqq n LYS 1020Cb 0.47 -2.24 0.00 0.00 -0.00 0.00 0.00 35.03 33.27 1rqq n LYS 1020CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rqq n GLY 1021N 3.38 0.47 3.10 2.58 0.00 -1.26 -5.07 105.19 108.39 1rqq n GLY 1021Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1rqq n GLY 1021CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rqq s GLU 1022N -0.71 2.27 0.01 1.61 2.02 0.09 -5.05 118.70 118.94 1rqq s GLU 1022Ca 0.00 -0.60 -0.16 0.00 0.02 0.00 0.00 54.97 54.22 1rqq s GLU 1022Cb 0.00 -1.81 -0.09 0.00 0.10 0.00 0.00 34.13 32.32 1rqq s GLU 1022CO 0.00 0.06 0.97 0.00 0.02 0.00 0.00 175.26 176.31 1rqq h ALA 1023N 6.99 -0.89 -4.12 5.21 0.00 -1.92 -3.25 119.26 121.28 1rqq h ALA 1023Ca -0.27 -0.13 -0.49 0.00 0.00 0.00 0.00 54.91 54.02 1rqq h ALA 1023Cb 1.20 0.23 -0.28 0.00 0.00 0.00 0.00 17.79 18.94 1rqq h ALA 1023CO 0.48 -0.84 -0.81 -1.83 0.00 0.00 0.00 179.25 176.24 1rqq s GLU 1024N -3.84 1.15 -0.07 0.00 4.04 -1.26 0.81 118.70 119.54 1rqq s GLU 1024Ca -0.09 -0.60 0.03 0.00 0.04 0.00 0.00 54.97 54.35 1rqq s GLU 1024Cb 0.01 -1.13 0.01 0.00 0.02 0.00 0.00 34.13 33.04 1rqq s GLU 1024CO 0.26 0.30 -0.14 0.99 -1.84 0.00 0.00 175.26 174.83 1rqq s THR 1025N -0.48 1.29 0.08 1.83 2.01 0.67 -4.90 115.64 116.15 1rqq s THR 1025Ca 0.05 -0.58 -0.31 0.00 0.31 0.00 0.00 61.69 61.17 1rqq s THR 1025Cb -0.06 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.22 1rqq s THR 1025CO -0.00 0.39 1.20 0.00 -0.69 0.00 0.00 174.62 175.52 1rqq s ARG 1026N 0.56 4.44 0.33 4.92 1.70 -1.26 -1.16 118.95 128.47 1rqq s ARG 1026Ca -0.14 1.79 0.05 0.00 -0.47 0.00 0.00 55.73 56.96 1rqq s ARG 1026Cb -0.16 -3.33 -0.03 0.00 -0.57 0.00 0.00 34.95 30.87 1rqq s ARG 1026CO 0.04 -0.23 0.23 0.14 -1.08 0.00 0.00 175.30 174.41 1rqq s VAL 1027N 0.86 0.12 0.06 4.99 -7.23 -0.03 -4.32 120.40 114.85 1rqq s VAL 1027Ca 0.58 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1rqq s VAL 1027Cb -0.30 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1rqq s VAL 1027CO 0.30 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 175.05 1rqq s ALA 1028N -3.50 3.12 -0.11 1.32 0.00 -0.70 -1.36 121.76 120.53 1rqq s ALA 1028Ca 0.37 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1rqq s ALA 1028Cb 0.03 -1.11 0.04 0.00 0.00 0.00 0.00 23.12 22.07 1rqq s ALA 1028CO 0.23 0.65 -0.01 0.14 0.00 0.00 0.00 175.76 176.78 1rqq s VAL 1029N -1.17 0.55 0.09 0.00 -7.23 0.15 -1.89 120.40 110.91 1rqq s VAL 1029Ca 0.21 -0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 1rqq s VAL 1029Cb -0.11 -0.77 -0.06 0.00 0.56 0.00 0.00 36.38 35.99 1rqq s VAL 1029CO 0.13 0.16 0.46 -0.54 -0.31 0.00 0.00 175.10 174.99 1rqq s LYS 1030N 1.89 3.87 0.21 4.82 1.02 0.01 -0.95 119.74 130.61 1rqq s LYS 1030Ca 0.03 0.34 -0.01 0.00 0.02 0.00 0.00 55.97 56.36 1rqq s LYS 1030Cb -0.14 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 1rqq s LYS 1030CO -0.06 0.55 0.13 0.95 -0.92 0.00 0.00 175.35 176.00 1rqq s THR 1031N -1.36 0.07 -0.04 2.17 -4.23 -0.95 -1.89 115.64 109.40 1rqq s THR 1031Ca 0.33 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.91 1rqq s THR 1031Cb -0.15 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1rqq s THR 1031CO 0.18 0.00 -0.25 0.68 -0.54 0.00 0.00 174.62 174.69 1rqq s VAL 1032N -4.09 2.12 0.48 2.29 -7.23 -1.26 -3.08 120.40 109.63 1rqq s VAL 1032Ca 0.39 -1.07 -0.22 0.00 -1.81 0.00 0.00 61.98 59.28 1rqq s VAL 1032Cb 0.07 -1.75 -0.07 0.00 0.56 0.00 0.00 36.38 35.19 1rqq s VAL 1032CO 0.13 0.58 1.13 0.54 -0.31 0.00 0.00 175.10 177.16 1rqq s ASN 1033N -0.42 6.09 0.31 4.85 4.22 -0.71 -4.90 114.94 124.37 1rqq s ASN 1033Ca 0.04 2.20 0.04 0.00 -2.14 0.00 0.00 52.86 53.00 1rqq s ASN 1033Cb -0.12 -2.59 0.65 0.00 1.28 0.00 0.00 41.25 40.47 1rqq s ASN 1033CO 0.01 -0.97 1.84 1.05 -2.04 0.00 0.00 177.10 177.00 1rqq h GLU 1034N 1.76 0.86 0.00 3.55 9.09 -2.00 0.10 114.58 127.95 1rqq h GLU 1034Ca -0.49 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.86 1rqq h GLU 1034Cb 1.25 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1rqq h GLU 1034CO 0.59 0.57 0.00 -1.13 0.05 0.00 0.00 179.01 179.09 1rqq n SER 1035N -4.61 0.00 -4.75 3.06 3.41 -1.26 -4.85 113.62 104.62 1rqq n SER 1035Ca 0.19 -1.18 -0.41 0.00 -0.26 0.00 0.00 58.87 57.21 1rqq n SER 1035Cb 0.40 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 1rqq n SER 1035CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqq s ALA 1036N -2.00 3.47 0.72 7.33 0.00 0.35 -5.01 121.76 126.62 1rqq s ALA 1036Ca 0.15 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 1rqq s ALA 1036Cb 0.07 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1rqq s ALA 1036CO 0.11 -0.45 1.07 -1.54 0.00 0.00 0.00 175.76 174.95 1rqq s SER 1037N -0.28 5.13 0.31 0.00 1.04 -1.26 -4.84 113.70 113.80 1rqq s SER 1037Ca 0.50 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.55 1rqq s SER 1037Cb -0.36 -2.44 0.49 0.00 0.10 0.00 0.00 66.02 63.81 1rqq s SER 1037CO 0.44 -1.60 1.88 0.25 0.98 0.00 0.00 173.24 175.19 1rqq h LEU 1038N -0.83 0.72 -1.76 2.42 5.85 -1.98 0.13 115.31 119.86 1rqq h LEU 1038Ca -0.44 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.19 1rqq h LEU 1038Cb 1.22 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1rqq h LEU 1038CO 0.56 0.67 0.18 0.03 -0.34 0.00 0.00 178.44 179.54 1rqq h ARG 1039N 0.78 0.32 0.05 1.25 -0.00 -1.99 0.15 114.38 114.94 1rqq h ARG 1039Ca 0.18 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.98 59.40 1rqq h ARG 1039Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.07 1rqq h ARG 1039CO -0.01 0.21 -1.13 0.93 0.00 0.00 0.00 179.97 179.97 1rqq h GLU 1040N 0.33 0.11 -0.44 0.04 5.08 -1.63 -2.81 114.58 115.27 1rqq h GLU 1040Ca 0.11 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1rqq h GLU 1040Cb 0.02 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1rqq h GLU 1040CO -0.02 1.07 -0.05 0.00 -1.00 0.00 0.00 179.01 179.01 1rqq h ARG 1041N 0.03 0.81 -0.63 2.33 3.08 0.43 -0.79 114.38 119.63 1rqq h ARG 1041Ca -0.07 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 1rqq h ARG 1041Cb 1.86 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.83 1rqq h ARG 1041CO 0.16 0.90 0.25 0.82 -1.07 0.00 0.00 179.97 181.02 1rqq h ILE 1042N 0.65 1.24 -0.34 2.04 1.08 -0.82 0.23 117.51 121.59 1rqq h ILE 1042Ca 0.12 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 1rqq h ILE 1042Cb 0.57 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 1rqq h ILE 1042CO 0.03 0.29 0.17 -0.08 -0.69 0.00 0.00 178.15 177.87 1rqq h GLU 1043N 0.89 0.49 -0.55 2.37 4.57 -1.31 0.15 114.58 121.18 1rqq h GLU 1043Ca 0.21 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.37 1rqq h GLU 1043Cb 0.21 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 1rqq h GLU 1043CO -0.02 0.44 0.27 0.35 -1.18 0.00 0.00 179.01 178.87 1rqq h PHE 1044N 0.42 0.49 0.00 0.92 3.57 -0.79 -0.31 116.94 121.23 1rqq h PHE 1044Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1rqq h PHE 1044Cb 0.11 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1rqq h PHE 1044CO -0.02 0.22 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.02 1rqq h LEU 1045N 0.51 0.00 -0.03 0.59 3.38 -0.59 -3.08 115.31 116.09 1rqq h LEU 1045Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1rqq h LEU 1045Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rqq h LEU 1045CO -0.19 0.20 -0.03 -1.13 0.09 0.00 0.00 178.44 177.39 1rqq h ASN 1046N 0.00 0.08 -0.46 -0.43 -1.24 0.94 -1.56 115.58 112.92 1rqq h ASN 1046Ca -0.00 -0.46 0.08 0.00 0.71 0.00 0.00 56.30 56.62 1rqq h ASN 1046Cb 0.71 -0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.67 1rqq h ASN 1046CO 0.03 0.53 0.06 -0.08 -1.29 0.00 0.00 177.43 176.68 1rqq h GLU 1047N -0.37 0.18 0.15 6.67 4.81 -1.18 -0.12 114.58 124.72 1rqq h GLU 1047Ca 0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1rqq h GLU 1047Cb 0.50 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1rqq h GLU 1047CO 0.01 0.12 -0.07 0.00 -0.73 0.00 0.00 179.01 178.34 1rqq h ALA 1048N 1.37 -0.20 -0.31 2.92 0.00 -1.54 -2.10 119.26 119.39 1rqq h ALA 1048Ca 0.23 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1rqq h ALA 1048Cb 0.31 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1rqq h ALA 1048CO -0.32 -0.61 -0.39 1.03 0.00 0.00 0.00 179.25 178.96 1rqq h SER 1049N -0.20 -1.27 -0.08 0.00 0.87 -0.42 -2.28 113.55 110.16 1rqq h SER 1049Ca -0.02 0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1rqq h SER 1049Cb 0.16 0.55 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1rqq h SER 1049CO 0.03 -0.37 -0.10 -0.37 -0.53 0.00 0.00 176.83 175.49 1rqq h VAL 1050N -0.36 1.20 0.00 2.23 -1.51 -0.96 -2.58 116.25 114.28 1rqq h VAL 1050Ca 0.13 -0.88 -0.03 0.00 -1.23 0.00 0.00 66.70 64.69 1rqq h VAL 1050Cb 0.58 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1rqq h VAL 1050CO -0.50 0.28 -0.15 0.24 -1.23 0.00 0.00 177.57 176.21 1rqq h MET 1051N 0.36 0.00 -0.89 5.19 2.07 -0.81 -2.91 114.93 117.95 1rqq h MET 1051Ca 0.07 0.00 0.16 0.00 -2.07 0.00 0.00 59.70 57.86 1rqq h MET 1051Cb 0.41 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 30.07 1rqq h MET 1051CO 0.02 0.15 0.58 0.87 1.07 0.00 0.00 176.91 179.60 1rqq h LYS 1052N 0.00 0.61 -0.25 1.72 1.57 -1.18 -0.67 116.57 118.36 1rqq h LYS 1052Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1rqq h LYS 1052Cb 0.43 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1rqq h LYS 1052CO 0.02 0.40 0.00 0.41 -0.57 0.00 0.00 179.45 179.71 1rqq n GLY 1053N -1.45 0.38 3.76 3.86 0.00 -1.10 -4.91 105.19 105.73 1rqq n GLY 1053Ca 0.18 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1rqq n GLY 1053CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rqq s PHE 1054N -1.67 3.30 -0.41 1.61 0.08 -0.26 -5.04 117.98 115.58 1rqq s PHE 1054Ca 0.26 0.27 0.04 0.00 0.12 0.00 0.00 56.93 57.62 1rqq s PHE 1054Cb 0.14 -1.80 0.17 0.00 -0.57 0.00 0.00 43.02 40.96 1rqq s PHE 1054CO 0.20 0.56 0.42 0.99 -0.10 0.00 0.00 175.22 177.28 1rqq s THR 1055N -1.03 -0.21 -0.05 0.64 2.01 -1.26 -4.84 115.64 110.91 1rqq s THR 1055Ca 0.17 -1.59 -0.03 0.00 0.31 0.00 0.00 61.69 60.55 1rqq s THR 1055Cb -0.12 -0.76 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1rqq s THR 1055CO 0.07 -0.72 0.12 0.00 -0.69 0.00 0.00 174.62 173.40 1rqq h HIS 1057N 6.36 0.00 -0.34 0.00 2.76 -1.97 -2.34 115.15 119.63 1rqq h HIS 1057Ca -0.30 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.75 1rqq h HIS 1057Cb 1.18 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.07 1rqq h HIS 1057CO 0.42 0.01 -0.00 0.72 -1.30 0.00 0.00 177.93 177.77 1rqq n HIS 1058N -3.16 1.11 -3.96 5.26 8.25 -1.26 -4.87 115.22 116.59 1rqq n HIS 1058Ca -0.02 -1.28 -0.23 0.00 -0.26 0.00 0.00 57.72 55.93 1rqq n HIS 1058Cb 0.13 -0.43 -0.17 0.00 1.12 0.00 0.00 29.99 30.63 1rqq n HIS 1058CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rqq s VAL 1059N -3.06 0.62 0.14 1.59 1.01 -0.88 -0.66 120.40 119.16 1rqq s VAL 1059Ca 0.44 -0.08 -0.34 0.00 0.00 0.00 0.00 61.98 62.00 1rqq s VAL 1059Cb 0.38 -0.70 -0.15 0.00 0.00 0.00 0.00 36.38 35.91 1rqq s VAL 1059CO 0.05 0.28 1.36 0.52 0.00 0.00 0.00 175.10 177.31 1rqq n VAL 1060N 4.72 0.32 -3.37 2.92 0.31 -0.02 -4.63 118.33 118.58 1rqq n VAL 1060Ca -0.14 -0.08 -0.37 0.00 -0.01 0.00 0.00 64.34 63.73 1rqq n VAL 1060Cb 0.50 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 32.31 1rqq n VAL 1060CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1rqq s ARG 1061N 0.27 4.04 0.05 5.55 3.52 -1.26 -4.95 118.95 126.17 1rqq s ARG 1061Ca 0.79 0.56 -0.26 0.00 -0.13 0.00 0.00 55.73 56.68 1rqq s ARG 1061Cb -0.83 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 1rqq s ARG 1061CO 0.46 0.61 0.82 -1.17 -0.81 0.00 0.00 175.30 175.21 1rqq s LEU 1062N -1.36 4.44 -0.14 -0.88 2.96 -1.26 -0.79 118.68 121.65 1rqq s LEU 1062Ca 0.30 1.52 0.05 0.00 -0.22 0.00 0.00 54.13 55.79 1rqq s LEU 1062Cb -0.17 -3.33 -0.13 0.00 0.50 0.00 0.00 46.19 43.07 1rqq s LEU 1062CO 0.17 -0.03 -0.06 0.18 -1.32 0.00 0.00 176.35 175.29 1rqq n LEU 1063N 2.96 1.74 0.00 -0.68 4.77 0.18 -4.89 117.00 121.08 1rqq n LEU 1063Ca -0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1rqq n LEU 1063Cb 0.50 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1rqq n LEU 1063CO 0.48 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1rqq n GLY 1064N 2.53 -0.05 2.98 -0.72 0.00 -0.44 -4.98 105.19 104.51 1rqq n GLY 1064Ca -0.25 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 1rqq n GLY 1064CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rqq s VAL 1065N -2.00 0.10 -0.30 1.61 1.01 -0.28 -0.19 120.40 120.35 1rqq s VAL 1065Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1rqq s VAL 1065Cb 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 36.38 36.21 1rqq s VAL 1065CO 0.00 -0.47 0.05 -0.69 0.00 0.00 0.00 175.10 173.98 1rqq s VAL 1066N -1.40 1.52 -0.06 2.92 1.01 -0.23 0.27 120.40 124.43 1rqq s VAL 1066Ca -0.15 -1.70 0.14 0.00 0.00 0.00 0.00 61.98 60.26 1rqq s VAL 1066Cb -0.09 -2.06 -0.21 0.00 0.00 0.00 0.00 36.38 34.01 1rqq s VAL 1066CO -0.01 -0.52 0.23 -1.54 0.00 0.00 0.00 175.10 173.26 1rqq n SER 1067N 4.59 1.61 -4.57 3.32 3.41 -1.26 -1.46 113.62 119.26 1rqq n SER 1067Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.20 1rqq n SER 1067Cb 0.42 1.39 -0.03 0.00 -0.26 0.00 0.00 64.21 65.73 1rqq n SER 1067CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1rqq s LYS 1068N -2.79 2.60 0.37 4.33 3.01 -1.26 -4.52 119.74 121.49 1rqq s LYS 1068Ca -0.06 1.70 0.00 0.00 -1.01 0.00 0.00 55.97 56.60 1rqq s LYS 1068Cb 0.08 -4.48 0.00 0.00 -1.01 0.00 0.00 37.83 32.42 1rqq s LYS 1068CO 0.60 -2.70 0.00 0.41 0.51 0.00 0.00 175.35 174.16 1rqq n GLY 1069N 5.88 -4.13 3.87 -3.33 0.00 -1.26 -4.96 105.19 101.26 1rqq n GLY 1069Ca 0.33 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1rqq n GLY 1069CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rqq s GLN 1070N -4.46 3.07 0.51 1.61 -1.52 -1.26 -4.48 119.66 113.12 1rqq s GLN 1070Ca 0.00 0.60 -0.18 0.00 -1.95 0.00 0.00 55.36 53.83 1rqq s GLN 1070Cb 0.00 -2.03 -0.08 0.00 -0.22 0.00 0.00 33.01 30.68 1rqq s GLN 1070CO 0.00 -0.91 1.00 -1.25 -0.25 0.00 0.00 175.29 173.88 1rqq s PRO 1071N -5.27 3.84 0.24 2.91 0.04 -1.26 -5.12 135.00 130.38 1rqq s PRO 1071Ca 0.57 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 1rqq s PRO 1071Cb -0.11 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 1rqq s PRO 1071CO 0.53 -0.37 1.00 0.99 0.04 0.00 0.00 177.00 179.19 1rqq s THR 1072N -2.36 3.89 -0.10 1.26 2.01 -1.26 -4.92 115.64 114.16 1rqq s THR 1072Ca 0.62 1.87 0.04 0.00 0.31 0.00 0.00 61.69 64.53 1rqq s THR 1072Cb -0.12 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.20 1rqq s THR 1072CO 0.26 0.43 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.64 1rqq s LEU 1073N -1.16 2.02 -0.28 4.42 1.43 -0.53 -4.40 118.68 120.17 1rqq s LEU 1073Ca 0.43 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1rqq s LEU 1073Cb -0.28 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1rqq s LEU 1073CO 0.35 0.14 0.03 -0.69 0.23 0.00 0.00 176.35 176.41 1rqq s VAL 1074N 0.41 3.59 -0.25 -1.59 1.01 -0.79 -1.07 120.40 121.71 1rqq s VAL 1074Ca -0.18 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 1rqq s VAL 1074Cb -0.18 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1rqq s VAL 1074CO 0.08 0.11 0.18 -0.69 0.00 0.00 0.00 175.10 174.78 1rqq s VAL 1075N 1.44 5.34 0.31 2.92 1.01 0.73 -0.81 120.40 131.33 1rqq s VAL 1075Ca 0.02 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1rqq s VAL 1075Cb -0.17 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1rqq s VAL 1075CO 0.00 0.32 0.18 0.00 0.00 0.00 0.00 175.10 175.60 1rqq s MET 1076N 1.25 1.62 0.49 2.72 0.23 -0.79 0.49 119.30 125.31 1rqq s MET 1076Ca 0.08 -1.93 -0.22 0.00 -1.03 0.00 0.00 55.69 52.59 1rqq s MET 1076Cb -0.14 0.00 -0.06 0.00 -1.53 0.00 0.00 34.83 33.09 1rqq s MET 1076CO 0.06 -0.50 1.22 -1.83 -2.03 0.00 0.00 175.02 171.94 1rqq s GLU 1077N -3.75 3.53 -0.18 3.16 -1.05 0.03 -1.72 118.70 118.72 1rqq s GLU 1077Ca 0.36 1.90 -0.25 0.00 -0.15 0.00 0.00 54.97 56.83 1rqq s GLU 1077Cb 0.04 -2.32 -0.01 0.00 -0.44 0.00 0.00 34.13 31.39 1rqq s GLU 1077CO 0.19 -0.77 0.82 -1.17 0.95 0.00 0.00 175.26 175.28 1rqq s LEU 1078N -3.25 4.16 -0.84 1.83 2.96 -1.26 -4.41 118.68 117.87 1rqq s LEU 1078Ca 0.67 1.13 -0.16 0.00 -0.22 0.00 0.00 54.13 55.54 1rqq s LEU 1078Cb -0.32 -3.21 0.17 0.00 0.50 0.00 0.00 46.19 43.34 1rqq s LEU 1078CO 0.38 -0.41 0.90 -0.04 -1.32 0.00 0.00 176.35 175.86 1rqq s MET 1079N 2.25 3.54 0.41 1.98 -1.94 -1.26 -4.83 119.30 119.46 1rqq s MET 1079Ca 0.37 -2.07 0.27 0.00 -1.71 0.00 0.00 55.69 52.55 1rqq s MET 1079Cb -0.16 -4.60 1.40 0.00 2.01 0.00 0.00 34.83 33.47 1rqq s MET 1079CO 0.11 -1.50 1.60 0.00 -0.01 0.00 0.00 175.02 175.22 1rqq h ALA 1080N 8.34 2.55 -0.62 3.03 0.00 -1.84 0.51 119.26 131.22 1rqq h ALA 1080Ca 0.08 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1rqq h ALA 1080Cb 1.04 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 1rqq h ALA 1080CO 0.93 -1.24 0.19 0.72 0.00 0.00 0.00 179.25 179.84 1rqq n HIS 1081N -4.89 2.08 -4.36 0.00 8.25 0.09 -4.89 115.22 111.50 1rqq n HIS 1081Ca 0.38 -1.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.66 1rqq n HIS 1081Cb 1.40 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 31.90 1rqq n HIS 1081CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rqq n GLY 1082N -0.29 0.98 3.84 -1.41 0.00 0.17 -4.57 105.19 103.91 1rqq n GLY 1082Ca 0.37 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1rqq n GLY 1082CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rqq s ASP 1083N -4.00 6.80 0.21 1.61 -4.77 -1.26 0.13 116.67 115.39 1rqq s ASP 1083Ca 0.00 1.52 -0.10 0.00 -3.30 0.00 0.00 52.55 50.66 1rqq s ASP 1083Cb 0.00 -2.47 0.15 0.00 -1.09 0.00 0.00 42.92 39.51 1rqq s ASP 1083CO 0.00 -0.37 1.87 0.25 0.70 0.00 0.00 175.17 177.62 1rqq h LEU 1084N 1.74 0.86 0.32 2.11 5.85 -0.21 -1.52 115.31 124.46 1rqq h LEU 1084Ca -0.48 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1rqq h LEU 1084Cb 1.18 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1rqq h LEU 1084CO 0.62 0.63 -0.45 0.50 -0.34 0.00 0.00 178.44 179.41 1rqq h LYS 1085N 1.01 -0.79 -0.98 1.25 3.64 -1.70 0.48 116.57 119.48 1rqq h LYS 1085Ca 0.27 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.82 1rqq h LYS 1085Cb -0.10 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 31.81 1rqq h LYS 1085CO -0.06 -0.53 0.62 1.03 -2.27 0.00 0.00 179.45 178.24 1rqq h SER 1086N -0.82 0.91 -0.41 4.20 0.87 -1.85 -0.86 113.55 115.59 1rqq h SER 1086Ca -0.02 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 1rqq h SER 1086Cb 0.76 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1rqq h SER 1086CO -0.14 0.50 -0.03 0.22 -0.53 0.00 0.00 176.83 176.85 1rqq h TYR 1087N 0.99 0.81 -0.96 2.24 3.20 -0.35 -2.50 116.97 120.40 1rqq h TYR 1087Ca 0.48 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 62.21 1rqq h TYR 1087Cb 0.44 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 1rqq h TYR 1087CO -0.01 0.82 0.64 -0.07 -1.64 0.00 0.00 178.16 177.90 1rqq h LEU 1088N 0.56 1.10 -1.13 2.82 3.38 0.94 -2.11 115.31 120.87 1rqq h LEU 1088Ca 0.11 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1rqq h LEU 1088Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1rqq h LEU 1088CO 0.03 0.80 -0.37 0.03 0.09 0.00 0.00 178.44 179.01 1rqq h ARG 1089N 1.30 0.11 -0.52 1.13 3.08 -1.06 -2.21 114.38 116.22 1rqq h ARG 1089Ca 0.35 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.39 1rqq h ARG 1089Cb -0.15 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1rqq h ARG 1089CO -0.08 0.48 0.34 0.77 -1.07 0.00 0.00 179.97 180.41 1rqq h SER 1090N 0.10 0.51 0.71 7.04 0.02 -0.93 -1.68 113.55 119.31 1rqq h SER 1090Ca 0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rqq h SER 1090Cb 0.71 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1rqq h SER 1090CO 0.05 0.35 0.00 0.18 -1.14 0.00 0.00 176.83 176.27 1rqq n LEU 1091N -4.47 0.00 -4.75 5.07 4.77 -0.83 -3.75 117.00 113.04 1rqq n LEU 1091Ca 0.06 0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 56.11 1rqq n LEU 1091Cb 0.14 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1rqq n LEU 1091CO 0.35 -0.13 1.20 -0.13 -1.33 0.00 0.00 177.39 177.35 1rqq s ARG 1092N -2.98 4.16 0.24 3.23 0.52 -0.63 -4.35 118.95 119.15 1rqq s ARG 1092Ca 0.11 2.51 -0.04 0.00 -0.52 0.00 0.00 55.73 57.78 1rqq s ARG 1092Cb 0.14 -3.04 0.41 0.00 0.52 0.00 0.00 34.95 32.98 1rqq s ARG 1092CO 0.38 -0.57 1.79 -1.00 0.02 0.00 0.00 175.30 175.92 1rqq h PRO 1093N 4.83 0.70 0.00 3.54 0.13 -1.89 -0.96 132.00 138.35 1rqq h PRO 1093Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1rqq h PRO 1093Cb 1.22 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1rqq h PRO 1093CO 0.78 0.46 0.00 0.93 -0.23 0.00 0.00 178.00 179.95 1rqq h GLU 1094N 0.72 0.00 -6.09 0.86 3.07 -1.94 -3.46 114.58 107.74 1rqq h GLU 1094Ca 0.40 0.00 -0.79 0.00 -0.50 0.00 0.00 59.36 58.47 1rqq h GLU 1094Cb 0.42 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1rqq h GLU 1094CO -0.28 0.00 0.84 0.00 -1.40 0.00 0.00 179.01 178.17 1rqq n ALA 1095N -2.00 -0.58 0.14 3.43 0.00 -0.37 -4.83 120.51 116.30 1rqq n ALA 1095Ca 0.01 0.42 0.06 0.00 0.00 0.00 0.00 53.44 53.93 1rqq n ALA 1095Cb 0.28 -2.12 0.54 0.00 0.00 0.00 0.00 19.45 18.16 1rqq n ALA 1095CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rqq h GLU 1096N 6.50 0.24 -0.63 0.00 3.07 -1.88 -0.87 114.58 121.00 1rqq h GLU 1096Ca -0.45 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1rqq h GLU 1096Cb 1.34 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1rqq h GLU 1096CO 0.97 0.16 0.00 0.27 -1.40 0.00 0.00 179.01 179.01 1rqq n ASN 1097N -4.51 4.96 -4.65 1.42 0.23 -1.26 -4.98 115.26 106.48 1rqq n ASN 1097Ca -0.00 -2.69 -0.54 0.00 -0.53 0.00 0.00 54.58 50.82 1rqq n ASN 1097Cb 0.08 -0.63 -0.06 0.00 -2.08 0.00 0.00 39.78 37.09 1rqq n ASN 1097CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1rqq n ASN 1098N 0.71 2.09 0.00 0.53 2.85 -0.33 -4.90 115.26 116.21 1rqq n ASN 1098Ca 0.24 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.81 1rqq n ASN 1098Cb 1.01 -1.19 0.00 0.00 1.24 0.00 0.00 39.78 40.84 1rqq n ASN 1098CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1rqq n PRO 1099N 3.90 0.00 -0.55 1.20 -0.02 -1.26 -4.95 135.00 133.32 1rqq n PRO 1099Ca 0.22 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.68 1rqq n PRO 1099Cb 0.18 -0.27 -0.02 0.00 -0.02 0.00 0.00 33.50 33.37 1rqq n PRO 1099CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rqq n GLY 1100N 0.38 0.28 3.26 -1.23 0.00 -1.26 -5.15 105.19 101.47 1rqq n GLY 1100Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1rqq n GLY 1100CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rqq s ARG 1101N 0.00 1.24 0.79 1.61 1.70 -1.26 -5.17 118.95 117.86 1rqq s ARG 1101Ca 0.00 -1.64 -0.10 0.00 -0.47 0.00 0.00 55.73 53.51 1rqq s ARG 1101Cb 0.00 -0.10 0.18 0.00 -0.57 0.00 0.00 34.95 34.46 1rqq s ARG 1101CO 0.00 -0.27 1.07 -0.35 -1.08 0.00 0.00 175.30 174.67 1rqq n PRO 1102N -0.33 -0.81 -0.82 3.89 -0.04 -1.26 -4.93 135.00 130.70 1rqq n PRO 1102Ca -0.02 -1.96 -0.30 0.00 -0.04 0.00 0.00 63.50 61.18 1rqq n PRO 1102Cb 0.65 -1.01 0.17 0.00 -0.04 0.00 0.00 33.50 33.27 1rqq n PRO 1102CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1rqq s PRO 1103N -5.30 0.92 0.63 0.54 0.02 -1.26 -4.93 135.00 125.62 1rqq s PRO 1103Ca 0.63 1.29 -0.17 0.00 0.02 0.00 0.00 61.00 62.77 1rqq s PRO 1103Cb -0.02 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1rqq s PRO 1103CO 0.44 -2.61 0.73 -2.30 -0.33 0.00 0.00 177.00 172.92 1rqq n PRO 1104N -4.20 0.59 -3.05 5.54 -0.02 -1.26 -4.99 135.00 127.61 1rqq n PRO 1104Ca 0.09 0.24 -0.28 0.00 -2.02 0.00 0.00 63.50 61.53 1rqq n PRO 1104Cb 0.53 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 1rqq n PRO 1104CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rqq s THR 1105N -1.70 4.95 0.24 3.45 2.01 -1.26 -4.87 115.64 118.46 1rqq s THR 1105Ca 0.71 0.14 -0.07 0.00 0.31 0.00 0.00 61.69 62.79 1rqq s THR 1105Cb -0.40 -3.79 0.23 0.00 0.01 0.00 0.00 72.50 68.56 1rqq s THR 1105CO 0.52 -0.54 1.67 0.25 -0.69 0.00 0.00 174.62 175.83 1rqq h LEU 1106N 1.07 -0.15 0.04 4.42 6.46 -1.99 0.44 115.31 125.60 1rqq h LEU 1106Ca -0.48 0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1rqq h LEU 1106Cb 1.20 0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.37 1rqq h LEU 1106CO 0.64 -0.09 -0.06 -0.61 -0.62 0.00 0.00 178.44 177.69 1rqq h GLN 1107N 0.19 -0.12 -0.55 1.25 5.75 -1.97 -0.76 115.11 118.89 1rqq h GLN 1107Ca 0.39 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.95 1rqq h GLN 1107Cb 0.67 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.22 1rqq h GLN 1107CO -0.55 -0.08 0.37 0.93 -2.65 0.00 0.00 178.83 176.84 1rqq h GLU 1108N -0.12 0.55 -0.18 1.69 5.08 -1.21 -1.61 114.58 118.77 1rqq h GLU 1108Ca 0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1rqq h GLU 1108Cb 0.13 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1rqq h GLU 1108CO -0.04 0.36 -0.14 0.52 -1.00 0.00 0.00 179.01 178.71 1rqq h MET 1109N 0.56 0.41 -1.00 2.33 2.86 0.34 -2.13 114.93 118.31 1rqq h MET 1109Ca 0.23 -0.20 0.07 0.00 -2.06 0.00 0.00 59.70 57.74 1rqq h MET 1109Cb 0.21 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.80 1rqq h MET 1109CO -0.06 0.75 0.64 0.82 1.06 0.00 0.00 176.91 180.12 1rqq h ILE 1110N 0.08 1.07 0.12 -1.22 1.08 -0.50 0.10 117.51 118.24 1rqq h ILE 1110Ca 0.03 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1rqq h ILE 1110Cb 0.66 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1rqq h ILE 1110CO 0.04 0.21 -0.06 -0.61 -0.69 0.00 0.00 178.15 177.04 1rqq h GLN 1111N 1.15 -0.16 -0.15 2.37 5.75 -1.19 0.11 115.11 122.98 1rqq h GLN 1111Ca 0.44 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.99 1rqq h GLN 1111Cb 0.20 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1rqq h GLN 1111CO -0.18 -0.05 -0.08 0.52 -2.65 0.00 0.00 178.83 176.38 1rqq h MET 1112N -0.23 -0.07 -0.45 1.69 2.86 -0.72 -0.04 114.93 117.98 1rqq h MET 1112Ca -0.02 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1rqq h MET 1112Cb 0.18 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1rqq h MET 1112CO 0.03 -0.05 0.20 0.00 1.06 0.00 0.00 176.91 178.15 1rqq h ALA 1113N 1.06 0.56 -0.46 6.32 0.00 -0.63 0.16 119.26 126.27 1rqq h ALA 1113Ca 0.09 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1rqq h ALA 1113Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1rqq h ALA 1113CO -0.20 -0.17 0.03 0.00 0.00 0.00 0.00 179.25 178.91 1rqq h ALA 1114N 1.26 0.62 -0.62 0.00 0.00 -0.71 0.11 119.26 119.92 1rqq h ALA 1114Ca 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rqq h ALA 1114Cb 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1rqq h ALA 1114CO -0.17 0.39 0.37 0.93 0.00 0.00 0.00 179.25 180.78 1rqq h GLU 1115N 0.65 0.85 -0.14 0.00 5.08 -0.48 0.27 114.58 120.82 1rqq h GLU 1115Ca 0.13 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1rqq h GLU 1115Cb 0.46 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1rqq h GLU 1115CO 0.02 0.61 -0.04 0.82 -1.00 0.00 0.00 179.01 179.43 1rqq h ILE 1116N 0.85 1.29 -0.60 3.13 2.04 -0.50 -2.16 117.51 121.55 1rqq h ILE 1116Ca 0.22 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1rqq h ILE 1116Cb -0.02 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1rqq h ILE 1116CO -0.04 0.29 0.34 0.00 0.00 0.00 0.00 178.15 178.74 1rqq h ALA 1117N 0.70 1.47 -0.41 1.87 0.00 -0.54 -1.43 119.26 120.91 1rqq h ALA 1117Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1rqq h ALA 1117Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1rqq h ALA 1117CO 0.01 0.45 0.16 0.22 0.00 0.00 0.00 179.25 180.09 1rqq h ASP 1118N 0.83 0.58 -0.85 0.00 3.58 -0.35 -0.43 116.42 119.78 1rqq h ASP 1118Ca 0.22 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1rqq h ASP 1118Cb 0.00 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 1rqq h ASP 1118CO -0.04 0.59 0.47 1.23 -2.88 0.00 0.00 179.24 178.62 1rqq h GLY 1119N 0.53 1.26 1.32 -0.78 0.00 -0.75 -2.33 103.07 102.32 1rqq h GLY 1119Ca 0.14 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 1rqq h GLY 1119CO -0.01 0.54 -0.44 -0.33 0.00 0.00 0.00 176.54 176.30 1rqq h MET 1120N 1.19 0.74 -0.76 4.80 2.86 -1.01 -2.47 114.93 120.28 1rqq h MET 1120Ca 0.30 -0.40 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1rqq h MET 1120Cb 0.02 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1rqq h MET 1120CO -0.05 1.03 0.50 0.00 1.06 0.00 0.00 176.91 179.44 1rqq h ALA 1121N 0.91 0.97 0.20 6.32 0.00 -0.75 0.20 119.26 127.11 1rqq h ALA 1121Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rqq h ALA 1121Cb 0.99 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1rqq h ALA 1121CO 0.09 0.35 -0.10 -0.92 0.00 0.00 0.00 179.25 178.67 1rqq h TYR 1122N 1.00 -0.25 -0.42 0.00 3.20 -1.32 0.32 116.97 119.50 1rqq h TYR 1122Ca 0.29 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.24 1rqq h TYR 1122Cb -0.07 0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.19 1rqq h TYR 1122CO -0.02 -0.13 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.11 1rqq h LEU 1123N -0.30 -0.64 -0.49 2.82 3.38 -0.84 0.87 115.31 120.10 1rqq h LEU 1123Ca -0.03 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1rqq h LEU 1123Cb 0.23 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1rqq h LEU 1123CO 0.04 -0.22 0.29 -1.13 0.09 0.00 0.00 178.44 177.51 1rqq h ASN 1124N -0.10 0.46 -0.73 -0.43 -0.00 -0.37 -1.54 115.58 112.86 1rqq h ASN 1124Ca 0.20 0.01 0.07 0.00 -0.00 0.00 0.00 56.30 56.58 1rqq h ASN 1124Cb 0.42 -0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 38.60 1rqq h ASN 1124CO -0.49 0.33 0.48 0.00 -0.00 0.00 0.00 177.43 177.75 1rqq h ALA 1125N 1.22 1.72 -0.08 1.57 0.00 0.13 0.30 119.26 124.12 1rqq h ALA 1125Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1rqq h ALA 1125Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1rqq h ALA 1125CO -0.10 0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1rqq n LYS 1126N -4.48 1.23 -3.07 0.00 5.02 0.14 -4.90 118.16 112.10 1rqq n LYS 1126Ca 0.11 -0.36 -0.13 0.00 -2.02 0.00 0.00 58.31 55.91 1rqq n LYS 1126Cb 0.25 -1.19 0.07 0.00 -0.02 0.00 0.00 35.03 34.14 1rqq n LYS 1126CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1rqq n LYS 1127N -0.31 -4.95 -4.47 1.97 4.76 0.11 -4.93 118.16 110.34 1rqq n LYS 1127Ca 0.08 0.62 -0.21 0.00 -2.87 0.00 0.00 58.31 55.94 1rqq n LYS 1127Cb 0.11 -4.98 -0.14 0.00 -1.84 0.00 0.00 35.03 28.18 1rqq n LYS 1127CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1rqq s PHE 1128N -3.26 1.28 -0.14 2.13 0.08 -0.79 -0.78 117.98 116.50 1rqq s PHE 1128Ca 0.03 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 1rqq s PHE 1128Cb -0.01 -0.78 -0.01 0.00 -0.57 0.00 0.00 43.02 41.64 1rqq s PHE 1128CO 0.54 0.02 -0.12 0.54 -0.10 0.00 0.00 175.22 176.10 1rqq s VAL 1129N -0.68 3.09 0.06 -0.44 0.11 -0.37 -3.74 120.40 118.43 1rqq s VAL 1129Ca 0.03 -0.64 -0.18 0.00 -2.93 0.00 0.00 61.98 58.26 1rqq s VAL 1129Cb -0.07 -2.31 -0.13 0.00 -1.53 0.00 0.00 36.38 32.34 1rqq s VAL 1129CO 0.01 0.51 1.36 -0.74 -3.33 0.00 0.00 175.10 172.91 1rqq h HIS 1130N 6.87 0.62 0.00 1.54 2.76 -1.90 -0.96 115.15 124.08 1rqq h HIS 1130Ca -0.28 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1rqq h HIS 1130Cb 1.21 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.04 1rqq h HIS 1130CO 0.51 0.89 0.00 0.54 -1.30 0.00 0.00 177.93 178.57 1rqq n ARG 1131N -4.40 0.00 -2.71 5.26 1.74 -1.26 -3.02 116.66 112.27 1rqq n ARG 1131Ca -0.05 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.96 1rqq n ARG 1131Cb 0.43 -2.57 0.04 0.00 -1.02 0.00 0.00 32.46 29.34 1rqq n ARG 1131CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1rqq n ASP 1132N 0.00 1.76 -4.69 0.55 4.64 -1.26 -4.85 116.55 112.70 1rqq n ASP 1132Ca 0.00 -2.49 -0.42 0.00 -1.38 0.00 0.00 54.79 50.50 1rqq n ASP 1132Cb 0.00 -0.50 -0.03 0.00 -1.04 0.00 0.00 41.12 39.55 1rqq n ASP 1132CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1rqq s LEU 1133N -3.46 4.30 -0.01 -2.67 2.96 -1.26 -4.80 118.68 113.74 1rqq s LEU 1133Ca 0.29 1.97 -0.29 0.00 -0.22 0.00 0.00 54.13 55.88 1rqq s LEU 1133Cb 0.39 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.63 1rqq s LEU 1133CO -0.00 -0.65 0.88 0.00 -1.32 0.00 0.00 176.35 175.26 1rqq s ALA 1134N 2.29 -1.82 0.39 5.97 0.00 -1.26 -4.72 121.76 122.61 1rqq s ALA 1134Ca 0.60 1.05 0.12 0.00 0.00 0.00 0.00 51.96 53.73 1rqq s ALA 1134Cb -0.28 0.33 0.92 0.00 0.00 0.00 0.00 23.12 24.09 1rqq s ALA 1134CO 0.24 -0.65 1.91 0.00 0.00 0.00 0.00 175.76 177.26 1rqq h ALA 1135N 2.07 1.95 0.00 0.00 0.00 -1.93 0.59 119.26 121.94 1rqq h ALA 1135Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1rqq h ALA 1135Cb 1.24 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1rqq h ALA 1135CO 0.31 -0.16 -0.12 0.07 0.00 0.00 0.00 179.25 179.36 1rqq h ARG 1136N 0.56 0.00 -0.44 0.00 0.11 -1.95 -2.19 114.38 110.47 1rqq h ARG 1136Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1rqq h ARG 1136Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 1rqq h ARG 1136CO -0.15 0.12 0.00 0.09 0.10 0.00 0.00 179.97 180.13 1rqq n ASN 1137N -3.81 3.41 -4.81 0.08 3.02 0.17 -4.72 115.26 108.61 1rqq n ASN 1137Ca -0.02 -1.98 -0.36 0.00 -0.03 0.00 0.00 54.58 52.19 1rqq n ASN 1137Cb 0.22 -0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 39.03 1rqq n ASN 1137CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rqq s MET 1139N -0.40 2.18 -0.20 0.00 -1.94 0.80 0.19 119.30 119.93 1rqq s MET 1139Ca 0.13 -1.10 -0.02 0.00 -1.71 0.00 0.00 55.69 52.98 1rqq s MET 1139Cb -0.12 -2.29 -0.00 0.00 2.01 0.00 0.00 34.83 34.43 1rqq s MET 1139CO 0.02 0.48 -0.09 0.08 -0.01 0.00 0.00 175.02 175.50 1rqq s VAL 1140N -1.45 3.05 0.88 -6.03 1.01 0.12 -0.70 120.40 117.27 1rqq s VAL 1140Ca 0.24 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1rqq s VAL 1140Cb -0.10 -2.35 0.12 0.00 0.00 0.00 0.00 36.38 34.05 1rqq s VAL 1140CO 0.15 0.46 1.13 0.00 0.00 0.00 0.00 175.10 176.85 1rqq s ALA 1141N 1.24 1.93 0.53 5.51 0.00 0.11 -0.73 121.76 130.35 1rqq s ALA 1141Ca 0.03 -0.46 0.25 0.00 0.00 0.00 0.00 51.96 51.78 1rqq s ALA 1141Cb -0.14 -3.05 1.41 0.00 0.00 0.00 0.00 23.12 21.34 1rqq s ALA 1141CO -0.04 -2.13 2.00 1.12 0.00 0.00 0.00 175.76 176.71 1rqq h HIS 1142N -1.38 0.00 -0.72 0.00 2.07 -1.89 0.41 115.15 113.63 1rqq h HIS 1142Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 1rqq h HIS 1142Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 1rqq h HIS 1142CO 0.33 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 174.79 1rqq n ASP 1143N -4.35 3.85 -0.23 3.10 5.75 -1.26 -4.94 116.55 118.47 1rqq n ASP 1143Ca 0.09 -2.00 -0.03 0.00 -0.01 0.00 0.00 54.79 52.85 1rqq n ASP 1143Cb 0.60 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 40.20 1rqq n ASP 1143CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1rqq n PHE 1144N 1.61 0.00 -2.53 2.11 3.72 0.14 -5.01 117.46 117.50 1rqq n PHE 1144Ca 0.24 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.23 1rqq n PHE 1144Cb 0.61 -0.90 -0.04 0.00 -0.94 0.00 0.00 39.48 38.21 1rqq n PHE 1144CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1rqq s THR 1145N -2.04 4.09 -0.01 4.37 2.01 -1.26 -4.68 115.64 118.12 1rqq s THR 1145Ca 0.00 1.67 -0.14 0.00 0.31 0.00 0.00 61.69 63.52 1rqq s THR 1145Cb 0.00 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.39 1rqq s THR 1145CO 0.00 0.22 0.39 -0.69 -0.69 0.00 0.00 174.62 173.85 1rqq s VAL 1146N 0.29 5.06 0.06 3.82 1.01 -1.26 -0.71 120.40 128.67 1rqq s VAL 1146Ca 0.52 0.80 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1rqq s VAL 1146Cb -0.28 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1rqq s VAL 1146CO 0.32 0.58 -0.07 -0.54 0.00 0.00 0.00 175.10 175.39 1rqq s LYS 1147N -1.04 0.62 0.14 2.72 1.02 0.12 -4.53 119.74 118.79 1rqq s LYS 1147Ca 0.23 -0.94 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1rqq s LYS 1147Cb -0.16 -0.24 -0.07 0.00 -0.52 0.00 0.00 37.83 36.84 1rqq s LYS 1147CO 0.13 0.02 1.00 0.42 -0.92 0.00 0.00 175.35 176.00 1rqq s ILE 1148N -2.14 4.29 0.00 2.17 1.09 0.16 -0.14 121.20 126.63 1rqq s ILE 1148Ca -0.03 1.94 0.00 0.00 -1.10 0.00 0.00 60.65 61.46 1rqq s ILE 1148Cb -0.05 -4.24 0.00 0.00 -1.06 0.00 0.00 42.46 37.11 1rqq s ILE 1148CO -0.01 0.32 0.00 0.61 -0.10 0.00 0.00 174.94 175.75 1rqq n GLY 1149N 2.15 4.15 3.01 6.18 0.00 -0.25 -0.84 105.19 119.59 1rqq n GLY 1149Ca 0.02 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 1rqq n GLY 1149CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rqq n ASP 1150N -2.56 -7.15 -2.01 1.61 -0.08 -1.26 -4.82 116.55 100.28 1rqq n ASP 1150Ca 0.00 0.75 -0.06 0.00 -1.51 0.00 0.00 54.79 53.98 1rqq n ASP 1150Cb 0.00 -3.38 0.31 0.00 2.34 0.00 0.00 41.12 40.39 1rqq n ASP 1150CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1rqq n PHE 1151N 0.77 2.47 -0.19 -0.67 3.72 -1.26 -4.64 117.46 117.66 1rqq n PHE 1151Ca 0.00 -1.20 -0.04 0.00 -0.05 0.00 0.00 57.45 56.16 1rqq n PHE 1151Cb 0.33 -0.69 0.06 0.00 -0.94 0.00 0.00 39.48 38.24 1rqq n PHE 1151CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1rqq h GLY 1152N 2.70 0.81 -0.31 1.37 0.00 -1.92 -2.74 103.07 102.99 1rqq h GLY 1152Ca 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1rqq h GLY 1152CO 0.74 0.14 -0.12 1.03 0.00 0.00 0.00 176.54 178.34 1rqq n MET 1153N -4.83 1.37 -1.75 4.80 2.81 -1.26 -4.81 117.12 113.44 1rqq n MET 1153Ca 0.06 -0.84 -0.40 0.00 -1.81 0.00 0.00 57.70 54.70 1rqq n MET 1153Cb 0.14 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.18 1rqq n MET 1153CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1rqq n THR 1154N -0.08 2.74 -4.06 2.03 -1.04 -1.03 -4.65 114.28 108.18 1rqq n THR 1154Ca 0.16 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.53 1rqq n THR 1154Cb 0.37 -1.80 -0.12 0.00 -1.82 0.00 0.00 70.33 66.96 1rqq n THR 1154CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1rqq s ARG 1155N -2.40 0.42 -0.11 -2.82 1.81 -0.37 -4.98 118.95 110.51 1rqq s ARG 1155Ca 0.61 -0.51 -0.29 0.00 -1.72 0.00 0.00 55.73 53.82 1rqq s ARG 1155Cb -0.46 -0.24 -0.01 0.00 -0.45 0.00 0.00 34.95 33.78 1rqq s ARG 1155CO 0.58 0.05 0.99 0.34 -0.68 0.00 0.00 175.30 176.58 1rqq s ASP 1156N -1.01 7.22 -0.30 0.23 -1.08 -1.26 -1.23 116.67 119.24 1rqq s ASP 1156Ca -0.07 1.50 0.02 0.00 -0.52 0.00 0.00 52.55 53.48 1rqq s ASP 1156Cb -0.07 -2.55 0.09 0.00 -1.46 0.00 0.00 42.92 38.93 1rqq s ASP 1156CO -0.00 -0.45 0.02 0.27 0.52 0.00 0.00 175.17 175.53 1rqq s ILE 1157N 2.05 1.70 0.00 4.11 -4.36 0.04 -4.96 121.20 119.78 1rqq s ILE 1157Ca 0.47 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 1rqq s ILE 1157Cb -0.18 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1rqq s ILE 1157CO 0.17 -0.44 0.00 -0.62 0.24 0.00 0.00 174.94 174.29 1rqq n GLU 1159N 4.53 0.00 0.00 0.37 4.71 -1.26 -0.34 120.64 128.65 1rqq n GLU 1159Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 1rqq n GLU 1159Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.86 1rqq n GLU 1159CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1rqq n THR 1160N 0.00 0.00 -0.97 2.62 -2.24 -1.26 -5.32 114.28 107.11 1rqq n THR 1160Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1rqq n THR 1160Cb 0.00 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1rqq n THR 1160CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rqq n ASP 1161N -0.62 -2.14 -3.27 3.42 10.43 0.53 -5.21 116.55 119.70 1rqq n ASP 1161Ca 0.00 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.39 1rqq n ASP 1161Cb 0.00 -0.36 -0.03 0.00 1.84 0.00 0.00 41.12 42.57 1rqq n ASP 1161CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1rqq s ARG 1164N -0.03 0.21 -0.25 -1.24 3.52 -1.26 -4.59 118.95 115.31 1rqq s ARG 1164Ca 0.00 0.48 -0.16 0.00 -0.13 0.00 0.00 55.73 55.92 1rqq s ARG 1164Cb 0.00 0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 1rqq s ARG 1164CO 0.00 -0.13 0.40 0.21 -0.81 0.00 0.00 175.30 174.97 1rqq s LYS 1165N 2.56 4.07 -0.24 5.12 2.47 -0.09 -4.97 119.74 128.66 1rqq s LYS 1165Ca -0.01 0.13 -0.04 0.00 -1.56 0.00 0.00 55.97 54.49 1rqq s LYS 1165Cb -0.07 -3.62 -0.18 0.00 -1.46 0.00 0.00 37.83 32.50 1rqq s LYS 1165CO -0.15 -0.22 -0.12 0.41 0.16 0.00 0.00 175.35 175.43 1rqq n GLY 1166N 4.42 -0.44 3.08 5.54 0.00 -1.26 -4.58 105.19 111.95 1rqq n GLY 1166Ca -0.08 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1rqq n GLY 1166CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqq n GLY 1167N 1.96 -1.51 3.79 -0.02 0.00 -1.26 -5.05 105.19 103.10 1rqq n GLY 1167Ca -0.44 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 1rqq n GLY 1167CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rqq s LYS 1168N -5.31 2.07 0.00 1.61 2.20 -1.26 -5.06 119.74 113.98 1rqq s LYS 1168Ca 0.60 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1rqq s LYS 1168Cb -0.02 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 1rqq s LYS 1168CO 0.42 -1.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.17 1rqq n GLY 1169N -1.92 1.29 3.62 5.54 0.00 -1.26 -5.11 105.19 107.34 1rqq n GLY 1169Ca 0.07 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1rqq n GLY 1169CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rqq s LEU 1170N 0.00 3.75 0.07 0.99 1.43 -1.26 -5.02 118.68 118.64 1rqq s LEU 1170Ca 0.00 0.85 0.09 0.00 -1.03 0.00 0.00 54.13 54.05 1rqq s LEU 1170Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1rqq s LEU 1170CO 0.00 -1.18 -0.26 -0.76 0.23 0.00 0.00 176.35 174.39 1rqq s LEU 1171N 4.49 2.22 -1.53 1.79 1.43 -1.26 -5.04 118.68 120.78 1rqq s LEU 1171Ca 0.53 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1rqq s LEU 1171Cb -0.12 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 1rqq s LEU 1171CO 0.26 0.22 2.60 -0.81 0.23 0.00 0.00 176.35 178.85 1rqq n PRO 1172N 1.51 3.38 -0.32 1.29 -0.04 -1.26 -4.83 135.00 134.74 1rqq n PRO 1172Ca -0.17 -2.47 0.18 0.00 -0.04 0.00 0.00 63.50 61.00 1rqq n PRO 1172Cb 0.52 -3.00 0.37 0.00 -0.04 0.00 0.00 33.50 31.35 1rqq n PRO 1172CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1rqq h VAL 1173N 3.43 0.26 0.00 0.52 -1.51 -1.96 -0.10 116.25 116.89 1rqq h VAL 1173Ca 0.73 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 66.12 1rqq h VAL 1173Cb 0.44 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.63 1rqq h VAL 1173CO 1.81 0.04 0.00 0.54 -1.23 0.00 0.00 177.57 178.73 1rqq n ARG 1174N -5.19 0.09 0.00 5.19 1.74 -1.26 -1.55 116.66 115.68 1rqq n ARG 1174Ca 0.26 0.47 0.06 0.00 -0.77 0.00 0.00 57.85 57.87 1rqq n ARG 1174Cb 0.83 -1.74 0.04 0.00 -1.02 0.00 0.00 32.46 30.57 1rqq n ARG 1174CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1rqq n TRP 1175N -1.93 0.00 -3.20 -1.55 8.01 -0.07 -4.97 117.44 113.73 1rqq n TRP 1175Ca 0.01 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.85 1rqq n TRP 1175Cb 0.10 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.34 1rqq n TRP 1175CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1rqq s MET 1176N -1.13 4.07 0.73 -0.99 -1.94 -0.59 -3.73 119.30 115.71 1rqq s MET 1176Ca 0.13 0.66 -0.11 0.00 -1.71 0.00 0.00 55.69 54.66 1rqq s MET 1176Cb 0.10 -2.73 0.03 0.00 2.01 0.00 0.00 34.83 34.23 1rqq s MET 1176CO 0.18 0.34 1.08 0.00 -0.01 0.00 0.00 175.02 176.61 1rqq s ALA 1177N -1.68 2.58 0.11 3.03 0.00 -1.26 -4.89 121.76 119.66 1rqq s ALA 1177Ca 0.46 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 1rqq s ALA 1177Cb -0.14 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1rqq s ALA 1177CO 0.20 -1.35 1.62 -1.35 0.00 0.00 0.00 175.76 174.87 1rqq h PRO 1178N -0.81 -0.57 -0.41 0.00 0.11 -1.91 -2.14 132.00 126.27 1rqq h PRO 1178Ca -0.45 0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.81 1rqq h PRO 1178Cb 1.24 0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.46 1rqq h PRO 1178CO 0.59 -0.38 0.29 1.05 -0.21 0.00 0.00 178.00 179.35 1rqq h GLU 1179N -0.59 0.03 -0.13 1.05 9.09 -1.90 0.32 114.58 122.44 1rqq h GLU 1179Ca 0.02 -0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.20 1rqq h GLU 1179Cb 0.59 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.70 1rqq h GLU 1179CO -0.15 0.02 -0.79 0.77 0.05 0.00 0.00 179.01 178.90 1rqq h SER 1180N 0.03 0.93 -0.48 3.06 0.02 -1.53 0.15 113.55 115.73 1rqq h SER 1180Ca 0.20 -0.64 -0.13 0.00 -0.84 0.00 0.00 61.79 60.38 1rqq h SER 1180Cb 0.74 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1rqq h SER 1180CO -0.01 1.42 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.86 1rqq h LEU 1181N 0.50 1.01 0.07 5.07 3.38 -0.58 0.99 115.31 125.74 1rqq h LEU 1181Ca -0.06 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1rqq h LEU 1181Cb 1.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1rqq h LEU 1181CO 0.16 1.16 -0.03 0.50 0.09 0.00 0.00 178.44 180.32 1rqq h LYS 1182N 0.86 -0.09 -0.00 1.13 3.64 -0.97 -3.40 116.57 117.73 1rqq h LYS 1182Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1rqq h LYS 1182Cb 0.75 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1rqq h LYS 1182CO 0.06 0.40 -0.78 -0.25 -2.27 0.00 0.00 179.45 176.61 1rqq n ASP 1183N -4.79 1.04 -0.58 4.20 8.00 0.52 -4.98 116.55 119.95 1rqq n ASP 1183Ca -0.06 -1.02 -0.06 0.00 0.71 0.00 0.00 54.79 54.35 1rqq n ASP 1183Cb 0.26 0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 42.25 1rqq n ASP 1183CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rqq n GLY 1184N 1.40 0.60 3.66 0.44 0.00 0.34 -4.73 105.19 106.91 1rqq n GLY 1184Ca 0.04 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 1rqq n GLY 1184CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rqq s VAL 1185N -2.27 4.87 -0.06 1.61 -7.23 -1.25 -0.91 120.40 115.17 1rqq s VAL 1185Ca 0.00 -0.01 0.05 0.00 -1.81 0.00 0.00 61.98 60.21 1rqq s VAL 1185Cb 0.00 -3.18 -0.02 0.00 0.56 0.00 0.00 36.38 33.74 1rqq s VAL 1185CO 0.00 0.48 -0.19 -0.36 -0.31 0.00 0.00 175.10 174.72 1rqq s PHE 1186N 0.21 2.58 0.31 2.82 0.40 -1.26 -3.72 117.98 119.31 1rqq s PHE 1186Ca 0.05 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1rqq s PHE 1186Cb -0.12 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 1rqq s PHE 1186CO 0.00 -0.02 0.36 0.25 0.70 0.00 0.00 175.22 176.51 1rqq n THR 1187N 2.68 0.00 0.18 0.64 -2.24 -1.26 -4.82 114.28 109.47 1rqq n THR 1187Ca -0.17 -1.89 0.05 0.00 -2.27 0.00 0.00 64.05 59.77 1rqq n THR 1187Cb 0.52 1.04 0.50 0.00 -2.10 0.00 0.00 70.33 70.30 1rqq n THR 1187CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1rqq h THR 1188N 1.94 1.10 -0.55 4.28 2.02 -1.92 -1.96 112.91 117.82 1rqq h THR 1188Ca -0.23 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 66.42 1rqq h THR 1188Cb 1.08 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1rqq h THR 1188CO 0.32 0.14 0.02 0.28 0.37 0.00 0.00 175.52 176.65 1rqq h SER 1189N 0.11 0.91 0.25 4.18 0.02 -1.92 -1.10 113.55 116.01 1rqq h SER 1189Ca 0.03 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.61 1rqq h SER 1189Cb 0.21 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1rqq h SER 1189CO 0.01 0.96 -0.51 0.77 -1.14 0.00 0.00 176.83 176.91 1rqq h SER 1190N 0.87 0.32 -0.46 3.07 4.64 -1.74 -2.37 113.55 117.88 1rqq h SER 1190Ca 0.16 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1rqq h SER 1190Cb 0.49 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1rqq h SER 1190CO 0.02 0.78 0.17 0.44 -0.87 0.00 0.00 176.83 177.37 1rqq h ASP 1191N 0.23 0.69 -0.08 4.97 3.32 -0.97 -1.84 116.42 122.74 1rqq h ASP 1191Ca 0.01 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1rqq h ASP 1191Cb 0.99 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1rqq h ASP 1191CO 0.08 0.65 -0.12 -0.03 -1.72 0.00 0.00 179.24 178.10 1rqq h MET 1192N 0.74 0.40 -0.25 3.56 4.05 -0.72 0.47 114.93 123.17 1rqq h MET 1192Ca 0.17 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1rqq h MET 1192Cb 0.20 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1rqq h MET 1192CO -0.01 0.53 0.04 2.35 0.23 0.00 0.00 176.91 180.04 1rqq h TRP 1193N 0.37 0.45 -0.71 1.39 2.91 -0.89 -1.59 115.95 117.89 1rqq h TRP 1193Ca 0.07 -0.06 0.02 0.00 1.13 0.00 0.00 58.89 60.05 1rqq h TRP 1193Cb 0.45 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 28.93 1rqq h TRP 1193CO 0.01 0.54 0.47 0.77 -1.03 0.00 0.00 178.44 179.20 1rqq h SER 1194N 0.23 0.77 -0.76 2.65 0.02 -0.73 -1.11 113.55 114.61 1rqq h SER 1194Ca 0.08 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1rqq h SER 1194Cb 0.34 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1rqq h SER 1194CO 0.01 0.54 0.44 0.15 -1.14 0.00 0.00 176.83 176.82 1rqq h PHE 1195N 0.90 1.02 -0.76 3.45 3.57 -0.44 -0.30 116.94 124.38 1rqq h PHE 1195Ca 0.27 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1rqq h PHE 1195Cb -0.01 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.36 1rqq h PHE 1195CO -0.00 0.70 0.51 0.78 -2.23 0.00 0.00 178.31 178.07 1rqq h GLY 1196N 1.04 1.07 1.61 2.40 0.00 -0.24 -0.92 103.07 108.03 1rqq h GLY 1196Ca 0.27 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 1rqq h GLY 1196CO -0.05 0.38 -0.35 -2.08 0.00 0.00 0.00 176.54 174.44 1rqq h VAL 1197N 1.01 1.29 -0.48 4.60 2.07 -0.70 -2.08 116.25 121.96 1rqq h VAL 1197Ca 0.28 -1.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.25 1rqq h VAL 1197Cb -0.09 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1rqq h VAL 1197CO -0.07 0.45 -0.12 0.58 0.02 0.00 0.00 177.57 178.43 1rqq h VAL 1198N 0.37 1.27 -0.79 2.57 2.07 0.01 0.13 116.25 121.89 1rqq h VAL 1198Ca 0.04 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.36 1rqq h VAL 1198Cb 0.79 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1rqq h VAL 1198CO 0.06 0.43 0.48 -0.07 0.02 0.00 0.00 177.57 178.50 1rqq h LEU 1199N 0.78 0.76 -0.69 2.57 3.38 -0.86 0.32 115.31 121.57 1rqq h LEU 1199Ca 0.12 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1rqq h LEU 1199Cb 0.68 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1rqq h LEU 1199CO 0.05 0.50 0.24 -0.25 0.09 0.00 0.00 178.44 179.06 1rqq h TRP 1200N 0.90 1.09 -0.58 1.13 7.01 -0.98 0.29 115.95 124.82 1rqq h TRP 1200Ca 0.34 -0.10 0.01 0.00 2.11 0.00 0.00 58.89 61.25 1rqq h TRP 1200Cb 0.13 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 1rqq h TRP 1200CO -0.04 0.87 0.38 0.93 -2.79 0.00 0.00 178.44 177.78 1rqq h GLU 1201N 1.00 0.75 0.12 2.65 5.08 0.15 -1.21 114.58 123.13 1rqq h GLU 1201Ca 0.23 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1rqq h GLU 1201Cb 0.27 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1rqq h GLU 1201CO -0.01 0.49 -0.06 0.82 -1.00 0.00 0.00 179.01 179.26 1rqq h ILE 1202N 0.77 0.94 0.00 3.13 2.04 0.20 0.65 117.51 125.23 1rqq h ILE 1202Ca 0.21 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1rqq h ILE 1202Cb -0.07 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1rqq h ILE 1202CO -0.05 0.05 0.00 0.35 0.00 0.00 0.00 178.15 178.49 1rqq n THR 1203N -5.12 0.07 -0.03 -0.27 -2.24 0.03 -2.33 114.28 104.39 1rqq n THR 1203Ca -0.08 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1rqq n THR 1203Cb 0.12 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1rqq n THR 1203CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1rqq n SER 1204N -1.06 1.46 -3.44 3.42 3.41 -0.47 -4.62 113.62 112.32 1rqq n SER 1204Ca 0.16 -1.48 -0.18 0.00 -0.26 0.00 0.00 58.87 57.11 1rqq n SER 1204Cb 0.10 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.12 1rqq n SER 1204CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rqq n LEU 1205N -0.24 -4.22 -3.62 1.04 4.77 -0.34 -3.10 117.00 111.28 1rqq n LEU 1205Ca 0.00 -0.68 -0.24 0.00 -0.03 0.00 0.00 56.01 55.06 1rqq n LEU 1205Cb 0.13 -3.06 0.07 0.00 -2.33 0.00 0.00 43.42 38.23 1rqq n LEU 1205CO 0.00 0.33 0.20 0.00 -1.33 0.00 0.00 177.39 176.59 1rqq n ALA 1206N -3.96 -1.43 -1.65 -1.18 0.00 0.21 -4.26 120.51 108.24 1rqq n ALA 1206Ca -0.24 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 1rqq n ALA 1206Cb 0.66 -4.83 0.02 0.00 0.00 0.00 0.00 19.45 15.30 1rqq n ALA 1206CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rqq s GLU 1207N -6.21 3.16 -0.19 0.00 2.56 -1.18 -4.93 118.70 111.90 1rqq s GLU 1207Ca 0.50 1.43 -0.29 0.00 0.00 0.00 0.00 54.97 56.61 1rqq s GLU 1207Cb -0.22 -1.99 -0.02 0.00 2.00 0.00 0.00 34.13 33.89 1rqq s GLU 1207CO 0.75 -0.97 1.44 -1.14 -0.56 0.00 0.00 175.26 174.77 1rqq s GLN 1208N -3.74 4.04 0.62 4.30 2.00 -1.26 -4.89 119.66 120.73 1rqq s GLN 1208Ca 0.68 1.67 -0.19 0.00 -2.00 0.00 0.00 55.36 55.53 1rqq s GLN 1208Cb -0.21 -3.90 -0.02 0.00 0.80 0.00 0.00 33.01 29.68 1rqq s GLN 1208CO 0.34 -0.98 1.32 -1.25 -0.50 0.00 0.00 175.29 174.22 1rqq s PRO 1209N 4.05 2.72 -1.49 1.67 0.04 -1.26 -2.58 135.00 138.15 1rqq s PRO 1209Ca 0.63 2.13 -0.14 0.00 0.04 0.00 0.00 61.00 63.66 1rqq s PRO 1209Cb -0.24 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.45 1rqq s PRO 1209CO 0.23 -1.49 0.71 0.66 0.04 0.00 0.00 177.00 177.15 1rqq n TYR 1210N -1.65 -1.89 -1.61 0.56 4.01 -1.26 -4.83 117.16 110.49 1rqq n TYR 1210Ca 0.14 0.69 -0.48 0.00 -0.16 0.00 0.00 57.90 58.09 1rqq n TYR 1210Cb 0.47 -3.17 -0.04 0.00 -0.31 0.00 0.00 39.34 36.29 1rqq n TYR 1210CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1rqq n GLN 1211N -4.18 1.46 0.00 -0.72 -0.06 -1.06 -2.20 117.38 110.61 1rqq n GLN 1211Ca 0.03 0.52 0.00 0.00 -2.00 0.00 0.00 57.00 55.56 1rqq n GLN 1211Cb 0.52 -2.12 0.00 0.00 -4.06 0.00 0.00 30.24 24.57 1rqq n GLN 1211CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rqq n GLY 1212N 2.35 2.59 3.70 1.69 0.00 -1.26 -5.04 105.19 109.21 1rqq n GLY 1212Ca 0.15 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1rqq n GLY 1212CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rqq n LEU 1213N 0.00 4.57 -4.95 0.99 7.99 -0.94 -5.02 117.00 119.65 1rqq n LEU 1213Ca 0.00 0.61 -0.25 0.00 -0.01 0.00 0.00 56.01 56.36 1rqq n LEU 1213Cb 0.00 -1.51 -0.03 0.00 -0.11 0.00 0.00 43.42 41.77 1rqq n LEU 1213CO 0.00 -1.63 -0.08 -0.94 -1.51 0.00 0.00 177.39 173.23 1rqq s SER 1214N -2.05 6.33 0.22 -1.43 1.04 -1.26 -4.87 113.70 111.68 1rqq s SER 1214Ca 0.74 0.14 -0.14 0.00 0.48 0.00 0.00 55.95 57.18 1rqq s SER 1214Cb -0.30 -1.90 0.26 0.00 0.10 0.00 0.00 66.02 64.19 1rqq s SER 1214CO 0.50 0.01 1.40 0.59 0.98 0.00 0.00 173.24 176.72 1rqq n ASN 1215N -0.82 -0.53 -0.33 7.02 5.03 -1.26 0.77 115.26 125.14 1rqq n ASN 1215Ca -0.08 1.57 0.01 0.00 0.87 0.00 0.00 54.58 56.96 1rqq n ASN 1215Cb 0.55 -0.38 0.19 0.00 -1.02 0.00 0.00 39.78 39.11 1rqq n ASN 1215CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1rqq h GLU 1216N 0.00 1.13 -0.47 3.52 5.08 -1.99 0.14 114.58 122.00 1rqq h GLU 1216Ca 0.34 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1rqq h GLU 1216Cb 0.57 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1rqq h GLU 1216CO -0.90 0.75 -0.15 1.96 -1.00 0.00 0.00 179.01 179.66 1rqq h GLN 1217N 1.17 0.93 -0.40 2.33 4.20 -0.02 -2.27 115.11 121.05 1rqq h GLN 1217Ca 0.38 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1rqq h GLN 1217Cb 0.05 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1rqq h GLN 1217CO -0.12 1.03 0.15 0.28 -0.67 0.00 0.00 178.83 179.50 1rqq h VAL 1218N 0.77 1.20 -0.07 -0.54 2.07 0.24 0.32 116.25 120.24 1rqq h VAL 1218Ca 0.11 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.03 1rqq h VAL 1218Cb 0.72 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1rqq h VAL 1218CO 0.05 0.23 -0.36 -0.07 0.02 0.00 0.00 177.57 177.44 1rqq h LEU 1219N 0.50 -1.11 0.07 2.57 3.38 -0.60 0.78 115.31 120.89 1rqq h LEU 1219Ca 0.13 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1rqq h LEU 1219Cb 0.22 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1rqq h LEU 1219CO -0.01 -0.40 -0.03 0.50 0.09 0.00 0.00 178.44 178.59 1rqq h LYS 1220N -0.47 -0.09 -0.17 1.13 3.64 -1.23 0.02 116.57 119.40 1rqq h LYS 1220Ca 0.07 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1rqq h LYS 1220Cb 0.59 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 1rqq h LYS 1220CO -0.34 0.05 -0.31 0.35 -2.27 0.00 0.00 179.45 176.93 1rqq h PHE 1221N -0.21 -0.86 -0.18 1.91 3.57 0.03 -0.41 116.94 120.79 1rqq h PHE 1221Ca -0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1rqq h PHE 1221Cb 0.18 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1rqq h PHE 1221CO -0.03 -0.39 0.04 0.28 -2.23 0.00 0.00 178.31 175.98 1rqq h VAL 1222N -0.37 1.20 -0.14 1.41 2.07 -0.84 -0.96 116.25 118.64 1rqq h VAL 1222Ca 0.11 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1rqq h VAL 1222Cb 0.53 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1rqq h VAL 1222CO -0.37 0.20 0.20 0.24 0.02 0.00 0.00 177.57 177.86 1rqq h MET 1223N 0.10 0.00 -0.61 1.57 2.86 -0.59 -0.82 114.93 117.44 1rqq h MET 1223Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1rqq h MET 1223Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1rqq h MET 1223CO 0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72 1rqq n ASP 1224N -3.55 3.59 0.00 1.22 8.00 -0.20 -4.90 116.55 120.71 1rqq n ASP 1224Ca 0.01 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.23 1rqq n ASP 1224Cb 0.31 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1rqq n ASP 1224CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rqq n GLY 1225N 1.02 0.56 3.83 0.44 0.00 -0.31 -5.06 105.19 105.67 1rqq n GLY 1225Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1rqq n GLY 1225CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rqq s GLY 1226N -0.90 1.60 -0.13 -0.02 0.00 -0.40 -5.00 107.32 102.49 1rqq s GLY 1226Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 44.72 43.99 1rqq s GLY 1226CO 0.00 0.06 1.05 -2.52 0.00 0.00 0.00 173.10 171.69 1rqq s TYR 1227N -3.31 -0.26 0.77 1.90 1.13 -1.26 -4.52 117.35 111.80 1rqq s TYR 1227Ca 0.62 0.28 -0.15 0.00 -1.41 0.00 0.00 57.07 56.40 1rqq s TYR 1227Cb -0.13 0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 41.21 1rqq s TYR 1227CO 0.53 -0.35 0.56 1.28 -2.51 0.00 0.00 175.55 175.06 1rqq n LEU 1228N 0.13 0.98 -4.92 -3.49 4.77 -1.26 -5.02 117.00 108.20 1rqq n LEU 1228Ca -0.06 0.54 -0.27 0.00 -0.03 0.00 0.00 56.01 56.20 1rqq n LEU 1228Cb 0.59 -1.24 0.02 0.00 -2.33 0.00 0.00 43.42 40.46 1rqq n LEU 1228CO 0.11 -3.08 0.47 -1.81 -1.33 0.00 0.00 177.39 171.76 1rqq s ASP 1229N -1.62 5.86 0.11 -1.43 1.01 -1.26 -5.04 116.67 114.31 1rqq s ASP 1229Ca 0.65 0.75 -0.30 0.00 0.71 0.00 0.00 52.55 54.35 1rqq s ASP 1229Cb -0.32 -1.89 -0.06 0.00 1.01 0.00 0.00 42.92 41.66 1rqq s ASP 1229CO 0.59 -0.85 1.10 -1.10 0.21 0.00 0.00 175.17 175.12 1rqq s GLN 1230N -4.86 4.55 1.11 8.23 -1.52 -1.26 -5.02 119.66 120.89 1rqq s GLN 1230Ca 0.51 1.66 -0.16 0.00 -1.95 0.00 0.00 55.36 55.42 1rqq s GLN 1230Cb -0.10 -3.34 0.24 0.00 -0.22 0.00 0.00 33.01 29.59 1rqq s GLN 1230CO 0.44 -0.03 1.10 -1.25 -0.25 0.00 0.00 175.29 175.30 1rqq s PRO 1231N 0.33 -0.44 0.17 2.91 0.04 -1.26 -4.93 135.00 131.83 1rqq s PRO 1231Ca 0.52 0.22 -0.32 0.00 0.04 0.00 0.00 61.00 61.46 1rqq s PRO 1231Cb -0.27 -1.66 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1rqq s PRO 1231CO 0.31 -3.25 1.78 -3.47 0.04 0.00 0.00 177.00 172.41 1rqq n ASP 1232N -4.49 4.05 -1.01 6.66 -0.08 -1.26 -2.62 116.55 117.80 1rqq n ASP 1232Ca 0.09 1.03 -0.12 0.00 -1.51 0.00 0.00 54.79 54.28 1rqq n ASP 1232Cb 0.58 -1.57 -0.05 0.00 2.34 0.00 0.00 41.12 42.43 1rqq n ASP 1232CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1rqq n ASN 1233N 4.71 -4.94 -4.68 1.67 4.13 -1.26 -4.89 115.26 110.00 1rqq n ASN 1233Ca 0.17 0.30 -0.49 0.00 1.68 0.00 0.00 54.58 56.23 1rqq n ASN 1233Cb 0.36 -3.89 -0.05 0.00 -1.54 0.00 0.00 39.78 34.66 1rqq n ASN 1233CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rqq n PRO 1235N 5.36 1.60 0.25 0.00 -0.02 -1.26 -4.79 135.00 136.14 1rqq n PRO 1235Ca 0.21 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.37 1rqq n PRO 1235Cb 0.26 -2.15 0.64 0.00 -0.02 0.00 0.00 33.50 32.23 1rqq n PRO 1235CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1rqq h GLU 1236N 3.84 0.00 -0.77 -0.52 4.11 -1.98 -0.92 114.58 118.34 1rqq h GLU 1236Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1rqq h GLU 1236Cb 1.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 1rqq h GLU 1236CO 0.73 0.16 0.45 -0.09 0.07 0.00 0.00 179.01 180.33 1rqq h ARG 1237N 0.00 1.06 -0.12 1.06 2.43 -2.00 0.14 114.38 116.94 1rqq h ARG 1237Ca -0.00 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 58.90 1rqq h ARG 1237Cb 0.45 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1rqq h ARG 1237CO 0.02 0.76 -0.62 0.28 -1.51 0.00 0.00 179.97 178.90 1rqq h VAL 1238N 1.06 1.35 -0.23 0.20 2.07 -1.73 -2.53 116.25 116.44 1rqq h VAL 1238Ca 0.27 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1rqq h VAL 1238Cb -0.01 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1rqq h VAL 1238CO -0.05 0.59 0.08 0.74 0.02 0.00 0.00 177.57 178.96 1rqq h THR 1239N 0.32 1.10 -0.29 2.57 2.02 -0.10 -1.64 112.91 116.89 1rqq h THR 1239Ca -0.01 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 1rqq h THR 1239Cb 1.17 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1rqq h THR 1239CO 0.11 0.12 -0.02 0.44 0.37 0.00 0.00 175.52 176.53 1rqq h ASP 1240N 0.32 0.53 -0.05 4.18 3.32 -0.34 -2.20 116.42 122.17 1rqq h ASP 1240Ca 0.08 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1rqq h ASP 1240Cb 0.08 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1rqq h ASP 1240CO -0.01 0.73 0.03 -0.07 -1.72 0.00 0.00 179.24 178.20 1rqq h LEU 1241N 0.31 0.06 -0.84 1.55 3.38 -1.19 -1.59 115.31 116.99 1rqq h LEU 1241Ca 0.08 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1rqq h LEU 1241Cb 0.48 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1rqq h LEU 1241CO 0.02 0.07 0.45 0.24 0.09 0.00 0.00 178.44 179.31 1rqq h MET 1242N 0.04 0.66 -0.74 1.13 2.86 -1.27 0.66 114.93 118.27 1rqq h MET 1242Ca 0.02 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1rqq h MET 1242Cb 0.02 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1rqq h MET 1242CO -0.00 0.44 0.41 0.00 1.06 0.00 0.00 176.91 178.81 1rqq h ARG 1243N 0.68 1.04 -0.43 1.72 -0.00 -0.91 -0.28 114.38 116.20 1rqq h ARG 1243Ca 0.44 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.98 59.72 1rqq h ARG 1243Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 29.97 30.31 1rqq h ARG 1243CO -0.32 0.77 -0.04 0.52 0.00 0.00 0.00 179.97 180.90 1rqq h MET 1244N 1.03 0.73 0.00 0.04 2.07 -0.16 -2.89 114.93 115.75 1rqq h MET 1244Ca 0.26 -0.20 -0.09 0.00 -2.07 0.00 0.00 59.70 57.60 1rqq h MET 1244Cb 0.04 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 1rqq h MET 1244CO -0.04 0.77 -0.41 0.00 1.07 0.00 0.00 176.91 178.30 1rqq n TRP 1246N -3.68 2.24 -1.92 0.00 8.01 -0.19 -4.10 117.44 117.79 1rqq n TRP 1246Ca -0.01 -1.24 -0.41 0.00 -1.31 0.00 0.00 57.50 54.53 1rqq n TRP 1246Cb 0.50 -0.65 -0.01 0.00 -2.01 0.00 0.00 31.31 29.13 1rqq n TRP 1246CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1rqq s GLN 1247N -3.02 4.20 0.23 -0.99 -1.52 -1.21 -4.89 119.66 112.46 1rqq s GLN 1247Ca 0.53 2.43 -0.06 0.00 -1.95 0.00 0.00 55.36 56.32 1rqq s GLN 1247Cb 0.43 -3.01 0.22 0.00 -0.22 0.00 0.00 33.01 30.42 1rqq s GLN 1247CO 0.12 -0.41 1.78 0.35 -0.25 0.00 0.00 175.29 176.87 1rqq h PHE 1248N 3.33 1.11 -3.51 0.91 3.57 -1.94 -3.40 116.94 117.01 1rqq h PHE 1248Ca -0.50 -0.10 -0.60 0.00 3.53 0.00 0.00 57.97 60.30 1rqq h PHE 1248Cb 1.23 -0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.54 1rqq h PHE 1248CO 0.55 0.88 0.49 1.21 -2.23 0.00 0.00 178.31 179.21 1rqq s ASN 1249N -6.45 6.61 0.55 0.41 3.04 -1.26 -4.86 114.94 112.98 1rqq s ASN 1249Ca -0.12 0.46 0.34 0.00 0.04 0.00 0.00 52.86 53.58 1rqq s ASN 1249Cb 0.15 -2.43 1.50 0.00 -1.54 0.00 0.00 41.25 38.93 1rqq s ASN 1249CO 0.83 -0.80 1.82 1.55 -3.04 0.00 0.00 177.10 177.46 1rqq h PRO 1250N 8.50 0.00 0.00 0.43 0.13 -1.96 0.45 132.00 139.55 1rqq h PRO 1250Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1rqq h PRO 1250Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1rqq h PRO 1250CO 0.95 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 1rqq n ASN 1251N -4.11 0.00 0.10 1.44 3.02 -1.26 -2.81 115.26 111.64 1rqq n ASN 1251Ca 0.21 -0.09 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1rqq n ASN 1251Cb 1.09 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.96 1rqq n ASN 1251CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1rqq n MET 1252N -1.29 0.60 -2.22 3.52 2.81 0.16 -4.92 117.12 115.78 1rqq n MET 1252Ca 0.13 0.11 -0.33 0.00 -1.81 0.00 0.00 57.70 55.80 1rqq n MET 1252Cb 0.23 -1.81 -0.01 0.00 -0.71 0.00 0.00 33.22 30.92 1rqq n MET 1252CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rqq s ARG 1253N -3.37 3.51 0.84 0.03 0.52 -1.12 -4.93 118.95 114.42 1rqq s ARG 1253Ca -0.01 1.23 -0.12 0.00 -0.52 0.00 0.00 55.73 56.31 1rqq s ARG 1253Cb 0.10 -2.06 0.10 0.00 0.52 0.00 0.00 34.95 33.61 1rqq s ARG 1253CO 0.80 -0.66 1.19 -1.25 0.02 0.00 0.00 175.30 175.39 1rqq s PRO 1254N -3.82 1.70 0.23 3.54 0.04 -1.26 -5.07 135.00 130.37 1rqq s PRO 1254Ca 0.64 0.08 0.06 0.00 0.04 0.00 0.00 61.00 61.82 1rqq s PRO 1254Cb -0.16 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1rqq s PRO 1254CO 0.31 -1.77 0.28 0.95 0.04 0.00 0.00 177.00 176.82 1rqq s THR 1255N -3.56 4.93 0.29 1.26 -4.23 -1.26 -4.93 115.64 108.13 1rqq s THR 1255Ca 0.63 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1rqq s THR 1255Cb -0.11 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 70.34 1rqq s THR 1255CO 0.50 -0.31 1.95 -0.26 -0.54 0.00 0.00 174.62 175.96 1rqq h PHE 1256N 1.43 1.08 -0.54 3.99 0.04 -1.94 -0.26 116.94 120.74 1rqq h PHE 1256Ca -0.50 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1rqq h PHE 1256Cb 1.23 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 1rqq h PHE 1256CO 0.50 0.65 0.34 -0.07 -0.60 0.00 0.00 178.31 179.14 1rqq h LEU 1257N 1.14 0.64 -1.12 1.54 3.38 -1.94 -1.39 115.31 117.56 1rqq h LEU 1257Ca 0.34 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.29 1rqq h LEU 1257Cb -0.06 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1rqq h LEU 1257CO -0.09 0.49 0.60 -0.33 0.09 0.00 0.00 178.44 179.20 1rqq h GLU 1258N 0.73 1.13 -0.19 1.13 5.08 -1.63 0.86 114.58 121.69 1rqq h GLU 1258Ca 0.20 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1rqq h GLU 1258Cb -0.04 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1rqq h GLU 1258CO -0.04 0.75 0.09 0.82 -1.00 0.00 0.00 179.01 179.63 1rqq h ILE 1259N 1.17 1.14 -0.16 3.13 1.08 -0.21 -1.07 117.51 122.59 1rqq h ILE 1259Ca 0.35 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1rqq h ILE 1259Cb -0.04 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1rqq h ILE 1259CO -0.10 0.13 0.10 0.58 -0.69 0.00 0.00 178.15 178.17 1rqq h VAL 1260N 0.18 1.08 -0.80 1.67 2.07 -0.82 -2.23 116.25 117.39 1rqq h VAL 1260Ca 0.07 -0.21 0.16 0.00 0.82 0.00 0.00 66.70 67.54 1rqq h VAL 1260Cb 0.12 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1rqq h VAL 1260CO -0.01 0.08 0.53 -1.13 0.02 0.00 0.00 177.57 177.06 1rqq h ASN 1261N 0.18 0.43 1.00 0.57 -1.24 -0.57 0.42 115.58 116.37 1rqq h ASN 1261Ca 0.06 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1rqq h ASN 1261Cb 0.04 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1rqq h ASN 1261CO -0.01 0.21 0.00 0.18 -1.29 0.00 0.00 177.43 176.52 1rqq n LEU 1262N -4.49 0.74 0.00 0.34 4.32 -0.43 -3.60 117.00 113.88 1rqq n LEU 1262Ca 0.16 0.64 0.00 0.00 -0.02 0.00 0.00 56.01 56.79 1rqq n LEU 1262Cb 0.56 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1rqq n LEU 1262CO 0.32 -0.44 0.10 0.18 -1.22 0.00 0.00 177.39 176.33 1rqq n LEU 1263N -2.27 0.39 -0.37 2.23 4.77 0.10 -4.80 117.00 117.05 1rqq n LEU 1263Ca 0.03 -0.67 0.27 0.00 -0.03 0.00 0.00 56.01 55.62 1rqq n LEU 1263Cb 0.30 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.93 1rqq n LEU 1263CO 0.24 0.10 1.19 0.07 -1.33 0.00 0.00 177.39 177.65 1rqq h LYS 1264N 0.00 0.27 -0.13 3.23 2.10 -0.45 -2.52 116.57 119.08 1rqq h LYS 1264Ca 0.00 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.58 1rqq h LYS 1264Cb 0.01 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1rqq h LYS 1264CO 0.00 0.18 -0.12 -0.44 -2.00 0.00 0.00 179.45 177.07 1rqq h ASP 1265N 0.28 0.33 -0.91 7.07 3.32 -1.87 -3.32 116.42 121.33 1rqq h ASP 1265Ca 0.71 -0.47 -0.47 0.00 0.02 0.00 0.00 57.03 56.82 1rqq h ASP 1265Cb 1.89 -0.09 -0.16 0.00 0.22 0.00 0.00 39.33 41.19 1rqq h ASP 1265CO -0.44 0.74 0.40 0.47 -1.72 0.00 0.00 179.24 178.70 1rqq n ASP 1266N -4.60 6.38 -4.32 6.45 8.00 -0.95 -4.91 116.55 122.60 1rqq n ASP 1266Ca -0.06 -3.09 -0.17 0.00 0.71 0.00 0.00 54.79 52.17 1rqq n ASP 1266Cb 0.34 -1.27 -0.10 0.00 -0.02 0.00 0.00 41.12 40.07 1rqq n ASP 1266CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rqq s LEU 1267N -1.84 2.55 0.26 0.64 1.43 -1.25 -4.79 118.68 115.68 1rqq s LEU 1267Ca 0.60 -1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 1rqq s LEU 1267Cb 0.36 -0.59 -0.14 0.00 0.03 0.00 0.00 46.19 45.86 1rqq s LEU 1267CO -0.18 -0.22 1.21 1.57 0.23 0.00 0.00 176.35 178.96 1rqq n HIS 1268N -0.34 1.73 -0.30 0.29 -0.00 -1.26 -4.84 115.22 110.49 1rqq n HIS 1268Ca -0.08 0.59 0.31 0.00 -0.00 0.00 0.00 57.72 58.54 1rqq n HIS 1268Cb 0.60 -2.35 0.69 0.00 -0.00 0.00 0.00 29.99 28.93 1rqq n HIS 1268CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1rqq h PRO 1269N 2.98 0.10 0.00 1.57 0.11 -1.99 -0.60 132.00 134.17 1rqq h PRO 1269Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1rqq h PRO 1269Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1rqq h PRO 1269CO 0.67 0.07 0.00 0.66 -0.21 0.00 0.00 178.00 179.18 1rqq h SER 1270N 0.10 0.00 -0.71 -2.05 4.64 -2.02 -3.36 113.55 110.15 1rqq h SER 1270Ca 0.55 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 62.01 1rqq h SER 1270Cb 2.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.95 1rqq h SER 1270CO -0.08 0.00 -0.25 0.15 -0.87 0.00 0.00 176.83 175.78 1rqq h PHE 1271N 0.00 -0.61 0.00 4.77 3.57 -1.44 0.11 116.94 123.33 1rqq h PHE 1271Ca 0.00 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1rqq h PHE 1271Cb 0.74 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1rqq h PHE 1271CO 0.00 -0.35 -0.01 -1.35 -2.23 0.00 0.00 178.31 174.38 1rqq h PRO 1272N -0.06 0.00 0.00 6.41 0.11 -1.80 0.29 132.00 136.96 1rqq h PRO 1272Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1rqq h PRO 1272Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1rqq h PRO 1272CO -0.75 0.01 -0.22 0.93 -0.21 0.00 0.00 178.00 177.75 1rqq h GLU 1273N 0.00 0.00 0.00 1.05 5.08 -1.03 -3.39 114.58 116.29 1rqq h GLU 1273Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rqq h GLU 1273Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1rqq h GLU 1273CO 0.00 0.00 -0.97 1.33 -1.00 0.00 0.00 179.01 178.37 1rqq n VAL 1274N -2.80 0.00 -1.27 3.13 0.24 -0.57 -5.08 118.33 111.98 1rqq n VAL 1274Ca 0.04 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.99 1rqq n VAL 1274Cb 0.51 -0.65 0.10 0.00 -1.47 0.00 0.00 33.84 32.33 1rqq n VAL 1274CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1rqq n SER 1275N -1.84 0.54 0.07 -1.34 3.41 0.92 -4.46 113.62 110.93 1rqq n SER 1275Ca 0.00 0.63 -0.13 0.00 -0.26 0.00 0.00 58.87 59.11 1rqq n SER 1275Cb 0.38 -1.43 -0.05 0.00 -0.26 0.00 0.00 64.21 62.85 1rqq n SER 1275CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rqq h PHE 1276N -0.48 0.55 -0.31 7.33 3.57 -1.90 -3.24 116.94 122.46 1rqq h PHE 1276Ca -0.47 -0.31 0.07 0.00 3.53 0.00 0.00 57.97 60.79 1rqq h PHE 1276Cb 1.32 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.92 1rqq h PHE 1276CO 0.42 1.14 -0.28 0.35 -2.23 0.00 0.00 178.31 177.71 1rqq h PHE 1277N 0.19 -0.76 -0.20 0.41 3.04 -1.90 -0.07 116.94 117.65 1rqq h PHE 1277Ca -0.08 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1rqq h PHE 1277Cb 1.62 0.38 0.00 0.00 2.56 0.00 0.00 35.95 40.51 1rqq h PHE 1277CO 0.06 -0.35 0.00 0.72 -2.02 0.00 0.00 178.31 176.72 1rqq n HIS 1278N -5.40 0.34 -2.28 0.41 8.25 -1.25 -4.76 115.22 110.54 1rqq n HIS 1278Ca 0.00 -0.15 -0.28 0.00 -0.26 0.00 0.00 57.72 57.03 1rqq n HIS 1278Cb 0.32 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.41 1rqq n HIS 1278CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1rqq s SER 1279N -0.84 5.59 0.31 0.41 1.04 -0.04 -4.96 113.70 115.21 1rqq s SER 1279Ca 0.14 0.83 0.09 0.00 0.48 0.00 0.00 55.95 57.49 1rqq s SER 1279Cb 0.08 -1.79 0.51 0.00 0.10 0.00 0.00 66.02 64.92 1rqq s SER 1279CO 0.08 -1.11 1.72 1.05 0.98 0.00 0.00 173.24 175.96 1rqq h GLU 1280N -0.28 0.14 -0.61 4.02 9.09 -1.91 -2.71 114.58 122.32 1rqq h GLU 1280Ca -0.45 -0.07 0.09 0.00 0.05 0.00 0.00 59.36 58.98 1rqq h GLU 1280Cb 1.25 -0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.31 1rqq h GLU 1280CO 0.61 0.55 0.41 0.93 0.05 0.00 0.00 179.01 181.57 1rqq h GLU 1281N 0.12 0.45 -4.80 1.06 5.08 -1.93 -3.29 114.58 111.27 1rqq h GLU 1281Ca 0.01 -0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.67 1rqq h GLU 1281Cb 0.82 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1rqq h GLU 1281CO 0.06 0.30 2.62 -1.71 -1.00 0.00 0.00 179.01 179.28 1rqq n ASN 1282N -4.47 4.10 -0.83 1.42 5.15 -1.02 -5.16 115.26 114.45 1rqq n ASN 1282Ca 0.10 -2.85 0.10 0.00 -0.60 0.00 0.00 54.58 51.33 1rqq n ASN 1282Cb 0.34 -1.65 0.09 0.00 -0.53 0.00 0.00 39.78 38.03 1rqq n ASN 1282CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95