#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i44 h ASP 987 N 0.00 0.36 0.23 2.55 -0.00 -2.01 1.55 116.42 119.10 1i44 h ASP 987 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 57.03 57.04 1i44 h ASP 987 Cb 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 39.33 39.29 1i44 h ASP 987 CO 0.00 0.16 -0.10 -0.33 -0.00 0.00 0.00 179.24 178.97 1i44 h GLU 988 N 0.36 0.00 0.00 0.28 5.08 -2.04 -2.15 114.58 116.11 1i44 h GLU 988 Ca 0.43 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.65 1i44 h GLU 988 Cb 1.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1i44 h GLU 988 CO -0.14 0.10 -1.17 -1.49 -1.00 0.00 0.00 179.01 175.31 1i44 h TRP 989 N 0.00 0.00 -2.20 4.33 4.06 0.18 -3.47 115.95 118.84 1i44 h TRP 989 Ca -0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 1i44 h TRP 989 Cb 0.24 0.00 0.06 0.00 -1.00 0.00 0.00 29.16 28.46 1i44 h TRP 989 CO 0.00 0.49 0.68 -1.91 -3.56 0.00 0.00 178.44 174.14 1i44 n GLU 990 N -2.94 1.88 -4.99 0.49 4.07 -0.40 -2.23 120.64 116.52 1i44 n GLU 990 Ca -0.06 0.68 -0.27 0.00 -0.06 0.00 0.00 57.16 57.45 1i44 n GLU 990 Cb 0.78 -2.39 -0.16 0.00 -0.06 0.00 0.00 31.44 29.61 1i44 n GLU 990 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1i44 s VAL 991 N 0.62 1.62 0.27 6.31 1.01 0.42 -4.85 120.40 125.80 1i44 s VAL 991 Ca 0.78 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1i44 s VAL 991 Cb -0.74 -1.36 -0.10 0.00 0.00 0.00 0.00 36.38 34.19 1i44 s VAL 991 CO 0.42 0.46 1.21 -0.94 0.00 0.00 0.00 175.10 176.25 1i44 s SER 992 N -0.35 7.03 0.31 3.32 1.04 -1.26 -4.42 113.70 119.38 1i44 s SER 992 Ca 0.04 2.43 0.04 0.00 0.48 0.00 0.00 55.95 58.94 1i44 s SER 992 Cb -0.09 -2.63 0.65 0.00 0.10 0.00 0.00 66.02 64.05 1i44 s SER 992 CO 0.00 -0.36 1.86 -0.09 0.98 0.00 0.00 173.24 175.64 1i44 h ARG 993 N 4.06 0.86 -0.44 4.02 2.43 -1.95 -2.26 114.38 121.10 1i44 h ARG 993 Ca -0.47 -0.05 0.13 0.00 -0.81 0.00 0.00 59.98 58.78 1i44 h ARG 993 Cb 1.22 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1i44 h ARG 993 CO 0.69 0.57 0.35 1.05 -1.51 0.00 0.00 179.97 181.11 1i44 h GLU 994 N 0.88 0.00 0.00 0.20 4.11 -2.03 -1.72 114.58 116.03 1i44 h GLU 994 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 1i44 h GLU 994 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1i44 h GLU 994 CO -0.22 0.00 0.00 0.87 0.07 0.00 0.00 179.01 179.73 1i44 h LYS 995 N 0.00 0.00 -5.47 1.06 1.57 -1.75 -3.45 116.57 108.53 1i44 h LYS 995 Ca 0.21 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.40 1i44 h LYS 995 Cb 0.90 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.11 1i44 h LYS 995 CO -0.00 0.00 -0.31 0.42 -0.57 0.00 0.00 179.45 178.99 1i44 s ILE 996 N -3.24 5.29 -0.16 1.86 -1.09 -0.65 -1.42 121.20 121.78 1i44 s ILE 996 Ca 0.07 0.57 0.01 0.00 -2.23 0.00 0.00 60.65 59.08 1i44 s ILE 996 Cb 0.10 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 1i44 s ILE 996 CO 0.55 0.36 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.55 1i44 s THR 997 N 0.64 1.88 0.03 2.92 2.01 0.06 -4.98 115.64 118.21 1i44 s THR 997 Ca 0.17 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 61.14 1i44 s THR 997 Cb -0.13 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.60 1i44 s THR 997 CO 0.05 0.51 0.57 -0.76 -0.69 0.00 0.00 174.62 174.30 1i44 s LEU 998 N 1.29 4.47 -0.13 4.42 1.43 -1.26 0.02 118.68 128.92 1i44 s LEU 998 Ca 0.03 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 1i44 s LEU 998 Cb -0.13 -2.88 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 1i44 s LEU 998 CO -0.11 0.19 -0.13 0.18 0.23 0.00 0.00 176.35 176.72 1i44 n LEU 999 N 2.23 2.55 -3.55 1.79 4.77 0.73 -4.96 117.00 120.56 1i44 n LEU 999 Ca -0.09 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.80 1i44 n LEU 999 Cb 0.51 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1i44 n LEU 999 CO 0.42 0.62 0.76 0.00 -1.33 0.00 0.00 177.39 177.86 1i44 s ARG 1000N -2.25 0.75 0.29 3.23 1.70 -1.16 -5.00 118.95 116.51 1i44 s ARG 1000Ca -0.17 -0.30 -0.29 0.00 -0.47 0.00 0.00 55.73 54.49 1i44 s ARG 1000Cb 0.05 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.66 1i44 s ARG 1000CO 0.28 -0.33 1.14 -1.21 -1.08 0.00 0.00 175.30 174.10 1i44 s GLU 1001N -2.99 4.59 -0.11 3.89 2.02 -1.26 -0.70 118.70 124.13 1i44 s GLU 1001Ca 0.07 1.88 0.07 0.00 0.02 0.00 0.00 54.97 57.01 1i44 s GLU 1001Cb -0.01 -3.17 -0.12 0.00 0.10 0.00 0.00 34.13 30.94 1i44 s GLU 1001CO -0.07 0.14 -0.01 1.28 0.02 0.00 0.00 175.26 176.62 1i44 n LEU 1002N 1.13 0.91 0.00 1.80 4.77 0.81 -4.78 117.00 121.64 1i44 n LEU 1002Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1i44 n LEU 1002Cb 0.44 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1i44 n LEU 1002CO 0.55 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1i44 n GLY 1003N 2.50 1.65 3.69 -0.72 0.00 -1.00 -5.00 105.19 106.31 1i44 n GLY 1003Ca -0.19 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 1i44 n GLY 1003CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i44 s GLN 1004N -2.00 4.27 0.52 1.61 -1.52 -1.26 0.18 119.66 121.46 1i44 s GLN 1004Ca 0.00 0.46 0.07 0.00 -1.95 0.00 0.00 55.36 53.94 1i44 s GLN 1004Cb 0.00 -3.50 0.05 0.00 -0.22 0.00 0.00 33.01 29.34 1i44 s GLN 1004CO 0.00 -0.00 0.71 0.20 -0.25 0.00 0.00 175.29 175.95 1i44 s GLY 1005N 0.90 1.84 0.52 3.09 0.00 0.18 -4.92 107.32 108.93 1i44 s GLY 1005Ca 0.26 -1.78 0.31 0.00 0.00 0.00 0.00 44.72 43.50 1i44 s GLY 1005CO 0.10 -1.46 1.95 1.48 0.00 0.00 0.00 173.10 175.17 1i44 h SER 1006N 0.30 0.00 0.00 1.64 4.64 -1.97 -2.94 113.55 115.22 1i44 h SER 1006Ca -0.37 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1i44 h SER 1006Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1i44 h SER 1006CO 0.44 0.08 -2.03 0.49 -0.87 0.00 0.00 176.83 174.94 1i44 n PHE 1007N -3.22 0.00 -2.10 4.77 3.72 -1.26 -5.03 117.46 114.34 1i44 n PHE 1007Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1i44 n PHE 1007Cb 0.33 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 1i44 n PHE 1007CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i44 n GLY 1008N 1.30 -1.92 3.77 1.37 0.00 -1.11 -0.06 105.19 108.53 1i44 n GLY 1008Ca -0.06 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 1i44 n GLY 1008CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1i44 s MET 1009N -1.80 4.03 -0.13 1.61 -2.45 -1.26 0.52 119.30 119.83 1i44 s MET 1009Ca 0.00 2.22 -0.01 0.00 -1.25 0.00 0.00 55.69 56.64 1i44 s MET 1009Cb 0.00 -2.82 -0.02 0.00 1.25 0.00 0.00 34.83 33.23 1i44 s MET 1009CO 0.00 -0.46 -0.08 0.08 1.05 0.00 0.00 175.02 175.61 1i44 s VAL 1010N -1.23 3.51 0.27 10.11 1.01 0.13 -2.33 120.40 131.87 1i44 s VAL 1010Ca 0.55 -0.51 0.12 0.00 0.00 0.00 0.00 61.98 62.14 1i44 s VAL 1010Cb -0.39 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1i44 s VAL 1010CO 0.51 0.52 -0.18 -0.31 0.00 0.00 0.00 175.10 175.64 1i44 s TYR 1011N 0.15 2.34 -0.01 5.22 1.51 0.36 -0.14 117.35 126.80 1i44 s TYR 1011Ca -0.04 -0.32 -0.16 0.00 -1.01 0.00 0.00 57.07 55.54 1i44 s TYR 1011Cb -0.14 -1.04 -0.06 0.00 -0.11 0.00 0.00 41.96 40.62 1i44 s TYR 1011CO 0.04 0.68 0.43 -2.00 -1.11 0.00 0.00 175.55 173.59 1i44 s GLU 1012N -3.41 4.00 0.10 -0.62 2.12 0.12 0.82 118.70 121.83 1i44 s GLU 1012Ca 0.29 0.45 -0.02 0.00 0.36 0.00 0.00 54.97 56.05 1i44 s GLU 1012Cb -0.06 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.09 1i44 s GLU 1012CO 0.15 0.62 0.16 0.41 -0.54 0.00 0.00 175.26 176.07 1i44 n GLY 1013N 1.98 2.42 3.13 -1.50 0.00 0.16 -0.19 105.19 111.19 1i44 n GLY 1013Ca -0.13 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 1i44 n GLY 1013CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i44 s ASN 1014N -1.57 1.82 -0.12 1.61 0.01 0.10 -0.54 114.94 116.25 1i44 s ASN 1014Ca 0.06 -0.28 0.03 0.00 -0.71 0.00 0.00 52.86 51.96 1i44 s ASN 1014Cb -0.01 -0.21 0.01 0.00 0.41 0.00 0.00 41.25 41.45 1i44 s ASN 1014CO 0.05 0.19 -0.22 0.00 -1.51 0.00 0.00 177.10 175.60 1i44 s ALA 1015N -0.35 2.19 -0.11 0.60 0.00 0.05 -0.76 121.76 123.37 1i44 s ALA 1015Ca 0.06 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 50.71 1i44 s ALA 1015Cb -0.06 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1i44 s ALA 1015CO -0.01 0.08 0.93 0.50 0.00 0.00 0.00 175.76 177.26 1i44 s ARG 1016N 0.66 4.41 -1.17 0.00 3.52 -0.51 -0.86 118.95 125.00 1i44 s ARG 1016Ca -0.11 1.25 -0.29 0.00 -0.13 0.00 0.00 55.73 56.44 1i44 s ARG 1016Cb -0.16 -3.53 0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1i44 s ARG 1016CO 0.02 -0.25 0.71 -0.25 -0.81 0.00 0.00 175.30 174.71 1i44 n ASP 1017N 4.83 -4.51 -0.06 -2.12 8.00 0.11 -4.88 116.55 117.91 1i44 n ASP 1017Ca 0.06 -1.21 -0.04 0.00 0.71 0.00 0.00 54.79 54.32 1i44 n ASP 1017Cb 0.49 -2.10 -0.13 0.00 -0.02 0.00 0.00 41.12 39.37 1i44 n ASP 1017CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i44 n ILE 1018N -4.68 0.84 -4.34 0.53 3.06 -1.26 -4.89 119.36 108.61 1i44 n ILE 1018Ca -0.12 -0.61 -0.33 0.00 -2.50 0.00 0.00 62.75 59.19 1i44 n ILE 1018Cb 0.58 -0.42 -0.16 0.00 0.54 0.00 0.00 39.64 40.18 1i44 n ILE 1018CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1i44 s ILE 1019N -2.57 2.29 0.28 9.51 1.01 -1.26 -5.05 121.20 125.41 1i44 s ILE 1019Ca -0.08 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 1i44 s ILE 1019Cb 0.06 -1.96 -0.13 0.00 0.01 0.00 0.00 42.46 40.44 1i44 s ILE 1019CO 0.67 0.53 1.34 1.17 0.00 0.00 0.00 174.94 178.64 1i44 n LYS 1020N 4.37 2.02 0.00 2.79 4.81 -1.26 -1.81 118.16 129.08 1i44 n LYS 1020Ca -0.20 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1i44 n LYS 1020Cb 0.51 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1i44 n LYS 1020CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i44 n GLY 1021N 1.57 1.58 2.84 3.14 0.00 -1.26 -5.04 105.19 108.00 1i44 n GLY 1021Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 1i44 n GLY 1021CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i44 s GLU 1022N -0.95 0.17 0.12 1.61 -1.05 -0.75 -5.04 118.70 112.82 1i44 s GLU 1022Ca 0.00 0.05 -0.20 0.00 -0.15 0.00 0.00 54.97 54.67 1i44 s GLU 1022Cb 0.00 -0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.34 1i44 s GLU 1022CO 0.00 -0.08 1.72 0.00 0.95 0.00 0.00 175.26 177.84 1i44 h ALA 1023N 6.87 0.15 -3.31 -0.84 0.00 -1.94 -3.37 119.26 116.81 1i44 h ALA 1023Ca -0.38 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 1i44 h ALA 1023Cb 1.15 0.11 -0.27 0.00 0.00 0.00 0.00 17.79 18.79 1i44 h ALA 1023CO 0.49 -0.45 -0.52 -1.83 0.00 0.00 0.00 179.25 176.93 1i44 s GLU 1024N -6.20 0.19 -0.06 0.00 -1.05 -1.26 0.06 118.70 110.39 1i44 s GLU 1024Ca -0.13 0.25 0.03 0.00 -0.15 0.00 0.00 54.97 54.97 1i44 s GLU 1024Cb 0.10 0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.84 1i44 s GLU 1024CO 0.68 -0.03 -0.15 0.99 0.95 0.00 0.00 175.26 177.71 1i44 s THR 1025N 0.16 3.02 0.18 1.83 2.01 -0.04 -4.91 115.64 117.89 1i44 s THR 1025Ca -0.01 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1i44 s THR 1025Cb -0.02 -2.19 -0.08 0.00 0.01 0.00 0.00 72.50 70.22 1i44 s THR 1025CO -0.00 0.58 1.16 -0.13 -0.69 0.00 0.00 174.62 175.53 1i44 s ARG 1026N -0.51 4.53 0.15 4.92 0.52 -1.26 -0.77 118.95 126.53 1i44 s ARG 1026Ca 0.07 1.80 -0.04 0.00 -0.52 0.00 0.00 55.73 57.05 1i44 s ARG 1026Cb -0.12 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 1i44 s ARG 1026CO 0.01 -0.03 0.15 0.14 0.02 0.00 0.00 175.30 175.60 1i44 s VAL 1027N -0.10 0.07 -0.11 3.52 -7.23 0.30 -3.62 120.40 113.24 1i44 s VAL 1027Ca 0.51 -1.76 -0.02 0.00 -1.81 0.00 0.00 61.98 58.90 1i44 s VAL 1027Cb -0.31 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1i44 s VAL 1027CO 0.36 -0.34 -0.02 0.00 -0.31 0.00 0.00 175.10 174.79 1i44 s ALA 1028N -4.04 3.16 -0.19 1.32 0.00 -0.53 0.38 121.76 121.86 1i44 s ALA 1028Ca 0.24 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1i44 s ALA 1028Cb 0.06 -1.49 0.04 0.00 0.00 0.00 0.00 23.12 21.73 1i44 s ALA 1028CO 0.03 0.45 -0.11 0.08 0.00 0.00 0.00 175.76 176.21 1i44 s VAL 1029N -0.42 1.61 0.08 0.00 1.01 0.24 -0.98 120.40 121.94 1i44 s VAL 1029Ca 0.07 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 1i44 s VAL 1029Cb -0.12 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 1i44 s VAL 1029CO 0.02 0.24 0.55 -0.54 0.00 0.00 0.00 175.10 175.37 1i44 s LYS 1030N 1.43 4.13 0.18 2.72 1.02 -0.05 -0.49 119.74 128.67 1i44 s LYS 1030Ca 0.00 0.65 0.02 0.00 0.02 0.00 0.00 55.97 56.67 1i44 s LYS 1030Cb -0.15 -3.17 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1i44 s LYS 1030CO -0.09 0.61 -0.00 0.95 -0.92 0.00 0.00 175.35 175.90 1i44 s THR 1031N -1.18 0.74 -0.19 2.17 -4.23 -0.99 -1.97 115.64 109.99 1i44 s THR 1031Ca 0.30 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 1i44 s THR 1031Cb -0.18 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 1i44 s THR 1031CO 0.18 -0.46 -0.04 0.54 -0.54 0.00 0.00 174.62 174.30 1i44 s VAL 1032N -3.61 3.63 0.52 2.29 0.11 -1.26 -2.85 120.40 119.23 1i44 s VAL 1032Ca 0.24 -0.43 -0.21 0.00 -2.93 0.00 0.00 61.98 58.66 1i44 s VAL 1032Cb 0.06 -2.62 -0.08 0.00 -1.53 0.00 0.00 36.38 32.21 1i44 s VAL 1032CO 0.05 0.45 0.90 -3.20 -3.33 0.00 0.00 175.10 169.97 1i44 n ASN 1033N 4.19 0.64 -0.06 3.54 5.15 0.91 -4.89 115.26 124.73 1i44 n ASN 1033Ca -0.18 0.89 0.05 0.00 -0.60 0.00 0.00 54.58 54.73 1i44 n ASN 1033Cb 0.52 -1.34 0.40 0.00 -0.53 0.00 0.00 39.78 38.83 1i44 n ASN 1033CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1i44 h GLU 1034N 0.87 0.62 0.00 1.20 4.11 -1.98 -1.88 114.58 117.51 1i44 h GLU 1034Ca -0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1i44 h GLU 1034Cb 1.36 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1i44 h GLU 1034CO 0.53 0.41 0.00 0.43 0.07 0.00 0.00 179.01 180.44 1i44 n SER 1035N -4.47 0.00 -4.80 3.06 7.64 -1.26 -4.81 113.62 108.98 1i44 n SER 1035Ca 0.05 -0.74 -0.35 0.00 1.01 0.00 0.00 58.87 58.84 1i44 n SER 1035Cb 0.11 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 1i44 n SER 1035CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i44 s ALA 1036N -2.00 3.17 0.58 -0.43 0.00 -0.71 -5.06 121.76 117.31 1i44 s ALA 1036Ca 0.07 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 1i44 s ALA 1036Cb 0.03 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1i44 s ALA 1036CO 0.05 0.18 0.92 -1.54 0.00 0.00 0.00 175.76 175.38 1i44 s SER 1037N -1.89 5.95 0.22 0.00 1.04 -1.26 -4.89 113.70 112.86 1i44 s SER 1037Ca 0.54 1.01 -0.09 0.00 0.48 0.00 0.00 55.95 57.89 1i44 s SER 1037Cb -0.14 -2.10 0.32 0.00 0.10 0.00 0.00 66.02 64.20 1i44 s SER 1037CO 0.19 -0.89 1.71 0.25 0.98 0.00 0.00 173.24 175.48 1i44 h LEU 1038N -0.14 0.07 -1.24 2.42 7.12 -1.99 -0.99 115.31 120.56 1i44 h LEU 1038Ca -0.46 0.11 0.03 0.00 0.13 0.00 0.00 57.88 57.69 1i44 h LEU 1038Cb 1.22 0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 41.44 1i44 h LEU 1038CO 0.62 0.04 0.52 -0.09 -0.13 0.00 0.00 178.44 179.40 1i44 h ARG 1039N 0.31 0.97 -0.15 1.25 2.43 -1.99 -1.38 114.38 115.81 1i44 h ARG 1039Ca 0.33 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.27 1i44 h ARG 1039Cb 0.48 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1i44 h ARG 1039CO -0.39 0.64 -0.63 0.93 -1.51 0.00 0.00 179.97 179.01 1i44 h GLU 1040N 1.00 0.56 -0.25 0.20 5.08 -1.59 -0.00 114.58 119.57 1i44 h GLU 1040Ca 0.31 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1i44 h GLU 1040Cb 0.01 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1i44 h GLU 1040CO -0.09 1.01 -0.01 0.00 -1.00 0.00 0.00 179.01 178.92 1i44 h ARG 1041N 0.41 0.37 -0.08 2.33 3.08 -0.59 0.14 114.38 120.03 1i44 h ARG 1041Ca -0.01 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1i44 h ARG 1041Cb 1.20 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.19 1i44 h ARG 1041CO 0.12 0.41 -0.41 0.82 -1.07 0.00 0.00 179.97 179.84 1i44 h ILE 1042N 0.36 1.40 -0.38 2.04 2.04 -0.93 -3.02 117.51 119.01 1i44 h ILE 1042Ca 0.08 -1.78 -0.04 0.00 1.00 0.00 0.00 64.86 64.13 1i44 h ILE 1042Cb 0.26 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1i44 h ILE 1042CO 0.01 0.52 0.08 -0.33 0.00 0.00 0.00 178.15 178.43 1i44 h GLU 1043N -0.03 0.57 -0.12 2.37 5.08 -0.56 -0.81 114.58 121.09 1i44 h GLU 1043Ca -0.03 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1i44 h GLU 1043Cb 1.06 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1i44 h GLU 1043CO 0.08 0.53 -0.05 0.35 -1.00 0.00 0.00 179.01 178.93 1i44 h PHE 1044N 0.56 -0.12 -0.36 4.33 3.57 -0.71 -1.19 116.94 123.01 1i44 h PHE 1044Ca 0.13 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1i44 h PHE 1044Cb 0.23 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1i44 h PHE 1044CO 0.01 -0.09 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.81 1i44 h LEU 1045N -0.04 0.73 -1.04 0.59 -0.00 -1.32 -3.03 115.31 111.21 1i44 h LEU 1045Ca 0.06 -0.38 0.10 0.00 -0.00 0.00 0.00 57.88 57.66 1i44 h LEU 1045Cb 0.14 -0.20 -0.08 0.00 -0.00 0.00 0.00 40.66 40.52 1i44 h LEU 1045CO -0.14 0.95 0.63 0.78 -0.00 0.00 0.00 178.44 180.65 1i44 h ASN 1046N 0.51 0.95 -0.75 -0.43 2.35 -0.90 -0.64 115.58 116.67 1i44 h ASN 1046Ca 0.09 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1i44 h ASN 1046Cb 0.64 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 1i44 h ASN 1046CO 0.04 0.55 0.49 -0.33 -1.65 0.00 0.00 177.43 176.53 1i44 h GLU 1047N 1.04 1.00 -0.83 0.81 5.08 -1.11 -1.49 114.58 119.09 1i44 h GLU 1047Ca 0.47 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1i44 h GLU 1047Cb 0.38 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1i44 h GLU 1047CO -0.22 0.67 0.45 0.00 -1.00 0.00 0.00 179.01 178.91 1i44 h ALA 1048N 1.27 1.22 -0.55 3.43 0.00 -1.08 -2.11 119.26 121.45 1i44 h ALA 1048Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i44 h ALA 1048Cb -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 1i44 h ALA 1048CO -0.06 0.62 0.35 1.03 0.00 0.00 0.00 179.25 181.19 1i44 h SER 1049N 1.16 0.64 -0.24 0.00 0.87 -0.22 -2.27 113.55 113.50 1i44 h SER 1049Ca 0.29 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 1i44 h SER 1049Cb 0.04 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1i44 h SER 1049CO -0.05 0.48 0.03 0.58 -0.53 0.00 0.00 176.83 177.35 1i44 h VAL 1050N 0.75 1.23 -0.01 2.23 2.07 -0.69 -2.77 116.25 119.07 1i44 h VAL 1050Ca 0.20 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1i44 h VAL 1050Cb -0.06 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1i44 h VAL 1050CO -0.04 0.25 0.02 0.24 0.02 0.00 0.00 177.57 178.05 1i44 h MET 1051N 0.20 0.00 -0.02 1.57 2.86 -1.17 -1.79 114.93 116.59 1i44 h MET 1051Ca 0.07 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1i44 h MET 1051Cb 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1i44 h MET 1051CO 0.01 0.00 0.08 0.87 1.06 0.00 0.00 176.91 178.93 1i44 h LYS 1052N 0.00 0.00 -0.31 1.72 1.57 -1.15 -0.21 116.57 118.20 1i44 h LYS 1052Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i44 h LYS 1052Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1i44 h LYS 1052CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1i44 n GLY 1053N -1.18 0.81 3.58 3.86 0.00 -0.67 -4.89 105.19 106.70 1i44 n GLY 1053Ca -0.02 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1i44 n GLY 1053CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i44 s PHE 1054N -1.60 3.05 -0.39 1.61 0.08 -0.09 -5.01 117.98 115.63 1i44 s PHE 1054Ca 0.32 -0.06 0.10 0.00 0.12 0.00 0.00 56.93 57.42 1i44 s PHE 1054Cb 0.17 -1.84 0.32 0.00 -0.57 0.00 0.00 43.02 41.10 1i44 s PHE 1054CO 0.25 0.22 0.71 0.25 -0.10 0.00 0.00 175.22 176.55 1i44 n THR 1055N 2.77 -0.28 -5.19 0.64 -2.24 -1.26 -4.82 114.28 103.88 1i44 n THR 1055Ca -0.18 -4.13 -0.32 0.00 -2.27 0.00 0.00 64.05 57.16 1i44 n THR 1055Cb 0.53 -0.50 -0.16 0.00 -2.10 0.00 0.00 70.33 68.10 1i44 n THR 1055CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i44 h HIS 1057N 6.09 0.00 -0.58 0.00 2.76 -1.96 -2.82 115.15 118.64 1i44 h HIS 1057Ca -0.32 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.81 1i44 h HIS 1057Cb 1.18 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 1i44 h HIS 1057CO 0.44 0.08 0.05 0.72 -1.30 0.00 0.00 177.93 177.92 1i44 n HIS 1058N -3.56 2.06 -4.33 5.26 8.25 -1.26 -4.83 115.22 116.80 1i44 n HIS 1058Ca -0.02 -0.84 -0.19 0.00 -0.26 0.00 0.00 57.72 56.41 1i44 n HIS 1058Cb 0.20 -0.53 -0.15 0.00 1.12 0.00 0.00 29.99 30.63 1i44 n HIS 1058CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1i44 s VAL 1059N -2.83 0.69 0.02 1.59 1.01 -1.06 -1.13 120.40 118.69 1i44 s VAL 1059Ca 0.54 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1i44 s VAL 1059Cb 0.42 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 36.10 1i44 s VAL 1059CO 0.15 0.22 1.90 -0.69 0.00 0.00 0.00 175.10 176.67 1i44 s VAL 1060N 0.16 3.10 0.32 2.92 1.01 -0.37 -4.70 120.40 122.83 1i44 s VAL 1060Ca -0.02 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1i44 s VAL 1060Cb -0.07 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1i44 s VAL 1060CO 0.00 -0.01 0.81 -0.13 0.00 0.00 0.00 175.10 175.77 1i44 s ARG 1061N 4.26 4.20 0.04 2.72 0.52 -1.26 -4.89 118.95 124.54 1i44 s ARG 1061Ca 0.85 0.92 -0.25 0.00 -0.52 0.00 0.00 55.73 56.72 1i44 s ARG 1061Cb -0.41 -2.56 -0.05 0.00 0.52 0.00 0.00 34.95 32.45 1i44 s ARG 1061CO 0.39 0.20 0.78 -1.17 0.02 0.00 0.00 175.30 175.52 1i44 s LEU 1062N -2.61 4.44 -0.14 2.53 2.96 -1.26 -1.59 118.68 123.01 1i44 s LEU 1062Ca 0.52 1.45 0.12 0.00 -0.22 0.00 0.00 54.13 56.01 1i44 s LEU 1062Cb -0.13 -3.25 -0.17 0.00 0.50 0.00 0.00 46.19 43.13 1i44 s LEU 1062CO 0.18 -0.01 0.05 0.18 -1.32 0.00 0.00 176.35 175.43 1i44 n LEU 1063N 2.94 0.00 0.00 -0.68 4.77 0.13 -4.90 117.00 119.26 1i44 n LEU 1063Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1i44 n LEU 1063Cb 0.50 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1i44 n LEU 1063CO 0.48 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1i44 n GLY 1064N 2.13 -0.00 3.14 -0.72 0.00 -0.96 -4.99 105.19 103.79 1i44 n GLY 1064Ca -0.22 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 1i44 n GLY 1064CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i44 s VAL 1065N -2.00 0.11 -0.33 1.61 0.11 -0.95 -0.82 120.40 118.14 1i44 s VAL 1065Ca 0.00 -0.91 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 1i44 s VAL 1065Cb 0.00 -0.80 0.10 0.00 -1.53 0.00 0.00 36.38 34.15 1i44 s VAL 1065CO 0.00 -0.50 0.05 -0.69 -3.33 0.00 0.00 175.10 170.62 1i44 s VAL 1066N -2.30 2.01 -1.12 2.04 1.01 0.05 -0.44 120.40 121.65 1i44 s VAL 1066Ca -0.07 -2.12 0.13 0.00 0.00 0.00 0.00 61.98 59.92 1i44 s VAL 1066Cb -0.03 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1i44 s VAL 1066CO -0.03 -0.57 0.72 -1.54 0.00 0.00 0.00 175.10 173.68 1i44 n SER 1067N 4.37 1.29 -4.59 3.32 3.41 -1.26 -1.85 113.62 118.31 1i44 n SER 1067Ca 0.02 -1.15 -0.42 0.00 -0.26 0.00 0.00 58.87 57.06 1i44 n SER 1067Cb 0.42 0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 64.89 1i44 n SER 1067CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1i44 s LYS 1068N -1.76 3.79 0.17 4.33 3.01 -1.26 -4.90 119.74 123.11 1i44 s LYS 1068Ca 0.10 0.37 0.00 0.00 -1.01 0.00 0.00 55.97 55.43 1i44 s LYS 1068Cb 0.11 -3.80 0.00 0.00 -1.01 0.00 0.00 37.83 33.13 1i44 s LYS 1068CO 0.37 -0.83 0.00 0.41 0.51 0.00 0.00 175.35 175.82 1i44 n GLY 1069N 4.47 -2.20 3.50 -3.33 0.00 -1.26 -4.94 105.19 101.42 1i44 n GLY 1069Ca 0.03 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1i44 n GLY 1069CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i44 s GLN 1070N -0.99 1.88 0.40 1.61 -1.52 -1.26 -4.08 119.66 115.69 1i44 s GLN 1070Ca 0.00 -1.12 -0.09 0.00 -1.95 0.00 0.00 55.36 52.19 1i44 s GLN 1070Cb 0.00 -2.15 -0.06 0.00 -0.22 0.00 0.00 33.01 30.58 1i44 s GLN 1070CO 0.00 0.49 0.74 -1.25 -0.25 0.00 0.00 175.29 175.03 1i44 s PRO 1071N -2.03 3.75 0.37 2.91 0.04 -1.26 -5.14 135.00 133.64 1i44 s PRO 1071Ca 0.18 0.39 -0.23 0.00 0.04 0.00 0.00 61.00 61.38 1i44 s PRO 1071Cb -0.11 -2.42 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 1i44 s PRO 1071CO 0.10 -0.02 0.93 0.95 0.04 0.00 0.00 177.00 179.00 1i44 s THR 1072N -2.36 4.34 0.03 1.26 -4.23 -1.26 -4.95 115.64 108.46 1i44 s THR 1072Ca 0.50 1.59 0.03 0.00 -1.18 0.00 0.00 61.69 62.64 1i44 s THR 1072Cb -0.10 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 69.94 1i44 s THR 1072CO 0.32 -0.10 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.45 1i44 s LEU 1073N -2.64 2.14 -0.22 4.79 1.43 -0.77 -4.33 118.68 119.08 1i44 s LEU 1073Ca 0.56 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1i44 s LEU 1073Cb -0.13 -0.39 0.05 0.00 0.03 0.00 0.00 46.19 45.74 1i44 s LEU 1073CO 0.18 -0.02 -0.11 -0.69 0.23 0.00 0.00 176.35 175.94 1i44 s VAL 1074N -0.77 1.84 -0.31 -1.59 1.01 -0.83 -0.77 120.40 118.98 1i44 s VAL 1074Ca -0.01 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.60 1i44 s VAL 1074Cb -0.07 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1i44 s VAL 1074CO 0.01 0.14 0.43 -0.69 0.00 0.00 0.00 175.10 174.98 1i44 s VAL 1075N 1.29 5.11 0.29 2.92 1.01 0.00 -0.87 120.40 130.15 1i44 s VAL 1075Ca -0.03 0.44 0.10 0.00 0.00 0.00 0.00 61.98 62.49 1i44 s VAL 1075Cb -0.17 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1i44 s VAL 1075CO -0.08 -0.02 -0.01 -0.04 0.00 0.00 0.00 175.10 174.95 1i44 s MET 1076N 2.19 2.19 0.34 2.72 -1.94 -0.15 0.20 119.30 124.85 1i44 s MET 1076Ca 0.16 -1.53 -0.28 0.00 -1.71 0.00 0.00 55.69 52.33 1i44 s MET 1076Cb -0.16 -2.07 -0.10 0.00 2.01 0.00 0.00 34.83 34.51 1i44 s MET 1076CO 0.11 0.30 1.29 -1.83 -0.01 0.00 0.00 175.02 174.88 1i44 s GLU 1077N -3.68 4.32 0.19 2.03 -1.05 -0.62 -1.46 118.70 118.43 1i44 s GLU 1077Ca 0.32 2.18 -0.30 0.00 -0.15 0.00 0.00 54.97 57.03 1i44 s GLU 1077Cb -0.05 -3.03 -0.08 0.00 -0.44 0.00 0.00 34.13 30.53 1i44 s GLU 1077CO 0.19 -0.21 1.15 -1.17 0.95 0.00 0.00 175.26 176.18 1i44 s LEU 1078N -1.87 4.47 -0.72 1.83 2.96 -1.24 -4.47 118.68 119.65 1i44 s LEU 1078Ca 0.50 2.19 -0.04 0.00 -0.22 0.00 0.00 54.13 56.56 1i44 s LEU 1078Cb -0.39 -3.61 0.18 0.00 0.50 0.00 0.00 46.19 42.88 1i44 s LEU 1078CO 0.52 -0.30 0.56 -0.04 -1.32 0.00 0.00 176.35 175.77 1i44 s MET 1079N -0.41 2.85 0.63 1.98 -1.94 -1.26 -4.72 119.30 116.43 1i44 s MET 1079Ca 0.51 -2.73 0.23 0.00 -1.71 0.00 0.00 55.69 51.99 1i44 s MET 1079Cb -0.31 -3.85 1.13 0.00 2.01 0.00 0.00 34.83 33.80 1i44 s MET 1079CO 0.37 -1.21 1.60 0.00 -0.01 0.00 0.00 175.02 175.77 1i44 h ALA 1080N 6.81 2.11 -0.48 3.03 0.00 -1.81 -0.47 119.26 128.45 1i44 h ALA 1080Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1i44 h ALA 1080Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1i44 h ALA 1080CO 0.75 -0.91 0.00 0.72 0.00 0.00 0.00 179.25 179.81 1i44 n HIS 1081N -3.17 0.73 -4.58 0.00 8.25 -0.09 -4.93 115.22 111.44 1i44 n HIS 1081Ca 0.08 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 1i44 n HIS 1081Cb 0.85 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.90 1i44 n HIS 1081CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i44 n GLY 1082N 0.82 -0.34 3.76 -1.41 0.00 -0.19 -4.51 105.19 103.32 1i44 n GLY 1082Ca 0.17 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 1i44 n GLY 1082CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i44 s ASP 1083N -4.00 5.48 0.18 1.61 -4.77 -1.26 -0.69 116.67 113.21 1i44 s ASP 1083Ca 0.00 2.37 -0.13 0.00 -3.30 0.00 0.00 52.55 51.50 1i44 s ASP 1083Cb 0.00 -2.60 0.14 0.00 -1.09 0.00 0.00 42.92 39.37 1i44 s ASP 1083CO 0.00 -1.40 1.80 0.25 0.70 0.00 0.00 175.17 176.52 1i44 h LEU 1084N 1.22 0.45 0.09 2.11 5.85 0.59 -2.10 115.31 123.52 1i44 h LEU 1084Ca -0.50 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1i44 h LEU 1084Cb 1.28 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1i44 h LEU 1084CO 0.57 0.31 -0.40 0.50 -0.34 0.00 0.00 178.44 179.08 1i44 h LYS 1085N 0.58 -0.59 -0.83 1.25 3.64 -1.78 0.20 116.57 119.03 1i44 h LYS 1085Ca 0.23 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.74 1i44 h LYS 1085Cb 0.10 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1i44 h LYS 1085CO -0.14 -0.40 0.49 0.77 -2.27 0.00 0.00 179.45 177.91 1i44 h SER 1086N -0.62 0.72 -0.51 4.20 0.02 -1.87 -1.00 113.55 114.50 1i44 h SER 1086Ca 0.03 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1i44 h SER 1086Cb 0.66 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1i44 h SER 1086CO -0.25 0.43 0.27 0.22 -1.14 0.00 0.00 176.83 176.35 1i44 h TYR 1087N 0.84 0.71 -0.64 3.45 3.20 -0.65 -2.42 116.97 121.46 1i44 h TYR 1087Ca 0.39 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1i44 h TYR 1087Cb 0.31 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1i44 h TYR 1087CO -0.05 0.54 0.36 -0.07 -1.64 0.00 0.00 178.16 177.30 1i44 h LEU 1088N 0.68 0.80 -1.24 2.82 3.38 0.28 -2.52 115.31 119.50 1i44 h LEU 1088Ca 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1i44 h LEU 1088Cb 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1i44 h LEU 1088CO -0.03 0.66 0.00 0.03 0.09 0.00 0.00 178.44 179.19 1i44 h ARG 1089N 0.87 0.00 0.00 1.13 3.08 -0.96 -2.22 114.38 116.29 1i44 h ARG 1089Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1i44 h ARG 1089Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1i44 h ARG 1089CO -0.04 0.00 -0.02 -1.13 -1.07 0.00 0.00 179.97 177.71 1i44 n SER 1090N -2.72 0.60 -1.05 7.04 3.41 -0.94 -3.02 113.62 116.94 1i44 n SER 1090Ca 0.01 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 1i44 n SER 1090Cb 0.25 -0.68 0.25 0.00 -0.26 0.00 0.00 64.21 63.77 1i44 n SER 1090CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i44 n LEU 1091N -2.06 3.06 -4.74 1.04 4.77 -0.83 -3.58 117.00 114.65 1i44 n LEU 1091Ca 0.06 -1.53 -0.40 0.00 -0.03 0.00 0.00 56.01 54.11 1i44 n LEU 1091Cb 0.41 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1i44 n LEU 1091CO 0.30 0.74 0.53 -0.13 -1.33 0.00 0.00 177.39 177.50 1i44 s ARG 1092N -1.29 4.55 0.33 3.23 0.52 -1.17 -4.34 118.95 120.77 1i44 s ARG 1092Ca 0.38 1.18 0.08 0.00 -0.52 0.00 0.00 55.73 56.85 1i44 s ARG 1092Cb 0.20 -3.38 0.94 0.00 0.52 0.00 0.00 34.95 33.23 1i44 s ARG 1092CO 0.25 0.23 1.59 -1.35 0.02 0.00 0.00 175.30 176.03 1i44 h PRO 1093N 5.78 0.04 -0.30 3.54 0.11 -1.91 0.81 132.00 140.06 1i44 h PRO 1093Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1i44 h PRO 1093Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i44 h PRO 1093CO 0.72 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.92 1i44 n GLU 1094N -5.37 1.63 -2.18 1.05 4.71 -1.26 -4.88 120.64 114.33 1i44 n GLU 1094Ca 0.28 -0.87 -0.42 0.00 -0.01 0.00 0.00 57.16 56.13 1i44 n GLU 1094Cb 0.92 -1.24 -0.03 0.00 -1.01 0.00 0.00 31.44 30.08 1i44 n GLU 1094CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i44 s ALA 1095N -1.67 3.62 -2.00 0.62 0.00 0.28 -4.85 121.76 117.76 1i44 s ALA 1095Ca 0.16 0.79 0.11 0.00 0.00 0.00 0.00 51.96 53.02 1i44 s ALA 1095Cb 0.09 -3.67 0.66 0.00 0.00 0.00 0.00 23.12 20.19 1i44 s ALA 1095CO 0.10 -1.21 1.09 0.39 0.00 0.00 0.00 175.76 176.13 1i44 n GLU 1096N 6.54 0.36 -1.61 0.00 4.71 -1.26 -2.06 120.64 127.31 1i44 n GLU 1096Ca 0.15 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.32 1i44 n GLU 1096Cb 0.43 -1.48 0.06 0.00 -1.01 0.00 0.00 31.44 29.44 1i44 n GLU 1096CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1i44 n ASN 1097N -0.98 1.47 -4.67 1.62 2.04 -1.26 -5.08 115.26 108.40 1i44 n ASN 1097Ca 0.08 -2.46 -0.46 0.00 -0.44 0.00 0.00 54.58 51.31 1i44 n ASN 1097Cb 0.04 -0.38 -0.04 0.00 -2.53 0.00 0.00 39.78 36.87 1i44 n ASN 1097CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1i44 n ASN 1098N -0.07 3.75 0.00 0.53 5.15 -0.87 -4.81 115.26 118.93 1i44 n ASN 1098Ca 0.11 0.92 0.02 0.00 -0.60 0.00 0.00 54.58 55.03 1i44 n ASN 1098Cb 0.99 -1.44 0.11 0.00 -0.53 0.00 0.00 39.78 38.91 1i44 n ASN 1098CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1i44 n PRO 1099N 7.12 0.06 -0.18 1.20 -0.04 -1.25 -4.80 135.00 137.10 1i44 n PRO 1099Ca 0.22 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1i44 n PRO 1099Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1i44 n PRO 1099CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i44 n GLY 1100N -0.92 0.81 3.60 0.55 0.00 -1.26 -5.09 105.19 102.88 1i44 n GLY 1100Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1i44 n GLY 1100CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i44 s ARG 1101N -0.82 2.08 0.83 1.61 3.00 -1.26 -5.13 118.95 119.25 1i44 s ARG 1101Ca 0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 55.73 54.03 1i44 s ARG 1101Cb 0.00 -2.01 0.09 0.00 0.00 0.00 0.00 34.95 33.03 1i44 s ARG 1101CO 0.00 0.30 1.11 -1.25 0.00 0.00 0.00 175.30 175.47 1i44 s PRO 1102N -3.64 1.85 1.12 3.54 0.04 -1.26 -4.98 135.00 131.67 1i44 s PRO 1102Ca 0.32 0.51 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 1i44 s PRO 1102Cb -0.05 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.78 1i44 s PRO 1102CO 0.18 -1.75 0.55 -0.35 0.04 0.00 0.00 177.00 175.67 1i44 n PRO 1103N -3.50 -1.85 -1.76 0.56 -0.04 -1.26 -4.86 135.00 122.29 1i44 n PRO 1103Ca 0.07 -0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 62.62 1i44 n PRO 1103Cb 0.57 -1.96 0.02 0.00 -0.04 0.00 0.00 33.50 32.09 1i44 n PRO 1103CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1i44 n PRO 1104N -3.47 2.25 -1.91 0.54 -0.04 -1.26 -5.00 135.00 126.10 1i44 n PRO 1104Ca 0.03 0.80 -0.29 0.00 -0.04 0.00 0.00 63.50 64.00 1i44 n PRO 1104Cb 0.57 -2.64 0.07 0.00 -0.04 0.00 0.00 33.50 31.47 1i44 n PRO 1104CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1i44 s THR 1105N -1.19 2.65 0.25 0.52 -4.23 -1.26 -4.84 115.64 107.54 1i44 s THR 1105Ca 0.61 0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 61.25 1i44 s THR 1105Cb -0.45 -3.21 0.25 0.00 1.34 0.00 0.00 72.50 70.43 1i44 s THR 1105CO 0.57 -0.27 1.91 0.25 -0.54 0.00 0.00 174.62 176.55 1i44 h LEU 1106N -0.86 1.09 -0.27 4.79 5.85 -1.99 0.26 115.31 124.18 1i44 h LEU 1106Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1i44 h LEU 1106Cb 1.30 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1i44 h LEU 1106CO 0.65 0.77 0.18 -0.61 -0.34 0.00 0.00 178.44 179.09 1i44 h GLN 1107N 1.28 0.36 -0.12 1.25 4.15 -1.97 -1.47 115.11 118.60 1i44 h GLN 1107Ca 0.37 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.68 1i44 h GLN 1107Cb -0.09 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1i44 h GLN 1107CO -0.10 0.25 -0.31 0.93 -1.93 0.00 0.00 178.83 177.67 1i44 h GLU 1108N 0.37 0.23 -0.35 1.69 5.08 -1.73 -1.91 114.58 117.95 1i44 h GLU 1108Ca 0.10 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1i44 h GLU 1108Cb -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1i44 h GLU 1108CO -0.02 0.53 -0.31 0.52 -1.00 0.00 0.00 179.01 178.73 1i44 h MET 1109N 0.21 0.76 -0.43 2.33 2.86 -0.62 -0.81 114.93 119.23 1i44 h MET 1109Ca 0.03 -0.35 -0.12 0.00 -2.06 0.00 0.00 59.70 57.20 1i44 h MET 1109Cb 0.66 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1i44 h MET 1109CO 0.05 0.97 -0.20 0.82 1.06 0.00 0.00 176.91 179.60 1i44 h ILE 1110N 0.65 1.28 -0.48 -1.22 1.08 -1.05 -0.35 117.51 117.41 1i44 h ILE 1110Ca 0.07 -1.35 -0.00 0.00 -0.39 0.00 0.00 64.86 63.19 1i44 h ILE 1110Cb 0.84 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.80 1i44 h ILE 1110CO 0.07 0.46 0.29 -0.61 -0.69 0.00 0.00 178.15 177.67 1i44 h GLN 1111N 0.72 0.64 -0.20 2.37 5.75 -1.17 -0.64 115.11 122.58 1i44 h GLN 1111Ca 0.10 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1i44 h GLN 1111Cb 0.77 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 1i44 h GLN 1111CO 0.06 0.47 0.12 0.52 -2.65 0.00 0.00 178.83 177.35 1i44 h MET 1112N 0.64 0.28 -0.08 1.69 2.86 -0.92 -1.49 114.93 117.91 1i44 h MET 1112Ca 0.17 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1i44 h MET 1112Cb -0.01 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1i44 h MET 1112CO -0.03 0.24 -0.22 0.00 1.06 0.00 0.00 176.91 177.95 1i44 h ALA 1113N 1.02 -0.23 -0.59 6.32 0.00 -0.68 -0.61 119.26 124.50 1i44 h ALA 1113Ca 0.07 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1i44 h ALA 1113Cb 0.03 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1i44 h ALA 1113CO -0.01 -0.70 0.31 0.00 0.00 0.00 0.00 179.25 178.85 1i44 h ALA 1114N 0.62 0.77 -0.48 0.00 0.00 -0.98 0.16 119.26 119.35 1i44 h ALA 1114Ca 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1i44 h ALA 1114Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1i44 h ALA 1114CO -0.26 -0.03 0.16 0.93 0.00 0.00 0.00 179.25 180.05 1i44 h GLU 1115N 0.58 0.75 -0.53 0.00 5.08 -0.91 0.23 114.58 119.79 1i44 h GLU 1115Ca 0.26 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1i44 h GLU 1115Cb 0.17 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1i44 h GLU 1115CO -0.18 0.70 0.12 0.82 -1.00 0.00 0.00 179.01 179.48 1i44 h ILE 1116N 0.64 1.24 -0.44 3.13 2.04 -0.76 -1.51 117.51 121.86 1i44 h ILE 1116Ca 0.16 -0.88 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1i44 h ILE 1116Cb 0.26 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1i44 h ILE 1116CO -0.01 0.32 -0.11 0.00 0.00 0.00 0.00 178.15 178.35 1i44 h ALA 1117N 1.00 0.98 -0.31 1.87 0.00 -0.42 -1.74 119.26 120.64 1i44 h ALA 1117Ca 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1i44 h ALA 1117Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1i44 h ALA 1117CO 0.00 0.60 0.09 0.22 0.00 0.00 0.00 179.25 180.17 1i44 h ASP 1118N 0.71 0.45 -0.60 0.00 -0.00 -0.28 0.14 116.42 116.84 1i44 h ASP 1118Ca 0.12 -0.21 -0.03 0.00 -0.00 0.00 0.00 57.03 56.91 1i44 h ASP 1118Cb 0.60 -0.12 -0.03 0.00 -0.00 0.00 0.00 39.33 39.78 1i44 h ASP 1118CO 0.04 0.53 0.25 1.23 -0.00 0.00 0.00 179.24 181.30 1i44 h GLY 1119N 0.34 0.95 1.01 -0.78 0.00 -1.14 -1.78 103.07 101.67 1i44 h GLY 1119Ca 0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1i44 h GLY 1119CO -0.00 0.48 0.33 -0.33 0.00 0.00 0.00 176.54 177.01 1i44 h MET 1120N 0.83 1.02 -0.84 4.80 2.86 -1.08 -1.75 114.93 120.75 1i44 h MET 1120Ca 0.20 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1i44 h MET 1120Cb 0.18 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1i44 h MET 1120CO -0.02 0.81 0.55 0.00 1.06 0.00 0.00 176.91 179.31 1i44 h ALA 1121N 1.16 1.38 -0.21 6.32 0.00 -0.65 0.35 119.26 127.61 1i44 h ALA 1121Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1i44 h ALA 1121Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1i44 h ALA 1121CO -0.03 0.56 0.08 -0.92 0.00 0.00 0.00 179.25 178.95 1i44 h TYR 1122N 1.15 0.32 -0.48 0.00 3.20 -0.82 -0.24 116.97 120.10 1i44 h TYR 1122Ca 0.31 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1i44 h TYR 1122Cb -0.12 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1i44 h TYR 1122CO 0.00 0.36 0.29 -0.07 -1.64 0.00 0.00 178.16 177.10 1i44 h LEU 1123N 0.18 0.57 -0.75 2.82 3.38 -0.77 -1.41 115.31 119.33 1i44 h LEU 1123Ca 0.07 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1i44 h LEU 1123Cb 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1i44 h LEU 1123CO -0.01 0.46 0.29 -1.13 0.09 0.00 0.00 178.44 178.14 1i44 h ASN 1124N 0.64 1.05 0.20 -0.43 -0.00 -0.81 -0.07 115.58 116.14 1i44 h ASN 1124Ca 0.17 -0.18 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 1i44 h ASN 1124Cb -0.01 -0.27 -0.00 0.00 -0.00 0.00 0.00 38.32 38.03 1i44 h ASN 1124CO -0.03 0.94 -0.12 0.00 -0.00 0.00 0.00 177.43 178.21 1i44 h ALA 1125N 1.15 1.57 -0.08 1.57 0.00 -0.64 0.18 119.26 123.01 1i44 h ALA 1125Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1i44 h ALA 1125Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1i44 h ALA 1125CO -0.02 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.02 1i44 n LYS 1126N -4.06 1.33 -1.36 0.00 4.76 -0.30 -4.89 118.16 113.63 1i44 n LYS 1126Ca -0.02 -0.49 -0.03 0.00 -2.87 0.00 0.00 58.31 54.90 1i44 n LYS 1126Cb 0.21 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 1i44 n LYS 1126CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1i44 n LYS 1127N -0.28 -0.21 -4.39 1.97 4.01 0.05 -5.04 118.16 114.27 1i44 n LYS 1127Ca 0.14 0.47 -0.34 0.00 -0.51 0.00 0.00 58.31 58.08 1i44 n LYS 1127Cb 0.18 -4.10 -0.12 0.00 -0.51 0.00 0.00 35.03 30.48 1i44 n LYS 1127CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1i44 s PHE 1128N -2.12 3.05 -0.24 2.13 0.40 -0.20 -4.99 117.98 116.01 1i44 s PHE 1128Ca 0.00 -0.20 -0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1i44 s PHE 1128Cb 0.00 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 1i44 s PHE 1128CO 0.00 0.05 0.06 0.08 0.70 0.00 0.00 175.22 176.11 1i44 s VAL 1129N 0.17 4.31 0.06 -0.44 1.01 -1.26 -3.53 120.40 120.71 1i44 s VAL 1129Ca -0.01 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 1i44 s VAL 1129Cb -0.14 -3.00 -0.17 0.00 0.00 0.00 0.00 36.38 33.07 1i44 s VAL 1129CO 0.03 0.36 1.58 -0.74 0.00 0.00 0.00 175.10 176.32 1i44 h HIS 1130N 8.04 -0.34 0.00 5.22 2.76 -1.90 -3.45 115.15 125.48 1i44 h HIS 1130Ca -0.38 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 1i44 h HIS 1130Cb 1.17 0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1i44 h HIS 1130CO 0.65 -0.14 0.00 0.54 -1.30 0.00 0.00 177.93 177.68 1i44 n ARG 1131N -5.21 0.00 -2.57 5.26 1.74 -1.26 -1.59 116.66 113.04 1i44 n ARG 1131Ca -0.10 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1i44 n ARG 1131Cb 0.20 -1.89 0.06 0.00 -1.02 0.00 0.00 32.46 29.81 1i44 n ARG 1131CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1i44 n ASP 1132N 0.00 0.61 -4.69 0.55 2.03 -1.26 -4.89 116.55 108.89 1i44 n ASP 1132Ca 0.00 -2.07 -0.42 0.00 0.52 0.00 0.00 54.79 52.82 1i44 n ASP 1132Cb 0.00 -0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 40.25 1i44 n ASP 1132CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1i44 s LEU 1133N -3.32 4.33 0.07 -2.67 2.96 -1.26 -4.75 118.68 114.05 1i44 s LEU 1133Ca 0.22 2.16 -0.27 0.00 -0.22 0.00 0.00 54.13 56.02 1i44 s LEU 1133Cb 0.35 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.55 1i44 s LEU 1133CO -0.08 -0.70 0.90 0.00 -1.32 0.00 0.00 176.35 175.16 1i44 s ALA 1134N 2.10 -1.74 0.30 5.97 0.00 -1.26 -4.70 121.76 122.44 1i44 s ALA 1134Ca 0.64 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 1i44 s ALA 1134Cb -0.33 0.54 0.49 0.00 0.00 0.00 0.00 23.12 23.82 1i44 s ALA 1134CO 0.27 -0.84 1.94 0.00 0.00 0.00 0.00 175.76 177.14 1i44 h ALA 1135N 2.00 1.47 -0.05 0.00 0.00 -1.92 -0.41 119.26 120.34 1i44 h ALA 1135Ca -0.24 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1i44 h ALA 1135Cb 1.24 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1i44 h ALA 1135CO 0.29 0.45 0.04 0.07 0.00 0.00 0.00 179.25 180.10 1i44 h ARG 1136N 1.07 0.00 -0.64 0.00 0.11 -1.94 -1.14 114.38 111.84 1i44 h ARG 1136Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 1i44 h ARG 1136Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1i44 h ARG 1136CO -0.10 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.06 1i44 n ASN 1137N -4.22 4.66 -4.43 0.08 3.02 -0.17 -4.63 115.26 109.57 1i44 n ASN 1137Ca -0.02 -2.61 -0.29 0.00 -0.03 0.00 0.00 54.58 51.64 1i44 n ASN 1137Cb 0.14 -0.60 -0.12 0.00 -0.61 0.00 0.00 39.78 38.58 1i44 n ASN 1137CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i44 s MET 1139N -2.21 1.36 -0.15 0.00 1.00 0.44 0.78 119.30 120.53 1i44 s MET 1139Ca 0.16 -1.61 0.01 0.00 0.00 0.00 0.00 55.69 54.26 1i44 s MET 1139Cb -0.10 -1.17 0.02 0.00 0.00 0.00 0.00 34.83 33.58 1i44 s MET 1139CO 0.08 0.19 -0.18 0.08 0.00 0.00 0.00 175.02 175.19 1i44 s VAL 1140N -2.94 1.81 0.98 -6.03 1.01 0.13 -0.77 120.40 114.58 1i44 s VAL 1140Ca 0.23 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1i44 s VAL 1140Cb -0.01 -1.64 0.20 0.00 0.00 0.00 0.00 36.38 34.93 1i44 s VAL 1140CO 0.08 0.50 1.29 0.00 0.00 0.00 0.00 175.10 176.97 1i44 s ALA 1141N 1.16 2.08 0.43 5.51 0.00 -0.20 -0.91 121.76 129.84 1i44 s ALA 1141Ca -0.00 -1.13 0.11 0.00 0.00 0.00 0.00 51.96 50.93 1i44 s ALA 1141Cb -0.14 -2.80 0.98 0.00 0.00 0.00 0.00 23.12 21.16 1i44 s ALA 1141CO -0.07 -2.51 2.04 1.12 0.00 0.00 0.00 175.76 176.34 1i44 h HIS 1142N -1.70 0.42 -0.51 0.00 2.07 -1.89 -0.32 115.15 113.21 1i44 h HIS 1142Ca -0.45 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 1i44 h HIS 1142Cb 1.25 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.09 1i44 h HIS 1142CO -1.15 0.24 0.00 -0.40 -3.07 0.00 0.00 177.93 173.55 1i44 n ASP 1143N -4.48 3.99 -0.20 3.10 5.75 -1.26 -4.91 116.55 118.54 1i44 n ASP 1143Ca 0.05 -2.40 -0.03 0.00 -0.01 0.00 0.00 54.79 52.41 1i44 n ASP 1143Cb 0.19 -0.53 -0.01 0.00 -1.03 0.00 0.00 41.12 39.74 1i44 n ASP 1143CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1i44 n PHE 1144N 0.82 0.00 -2.31 2.11 3.01 -0.13 -4.99 117.46 115.96 1i44 n PHE 1144Ca 0.21 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.25 1i44 n PHE 1144Cb 0.77 -1.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.09 1i44 n PHE 1144CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1i44 s THR 1145N -1.80 3.62 -0.07 4.37 2.01 -1.26 -4.69 115.64 117.82 1i44 s THR 1145Ca 0.00 1.22 -0.13 0.00 0.31 0.00 0.00 61.69 63.09 1i44 s THR 1145Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1i44 s THR 1145CO 0.00 0.13 0.33 -0.69 -0.69 0.00 0.00 174.62 173.70 1i44 s VAL 1146N 0.70 5.20 0.06 3.82 1.01 -1.26 -1.03 120.40 128.91 1i44 s VAL 1146Ca 0.59 0.65 0.02 0.00 0.00 0.00 0.00 61.98 63.23 1i44 s VAL 1146Cb -0.33 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1i44 s VAL 1146CO 0.32 0.52 -0.07 -0.54 0.00 0.00 0.00 175.10 175.33 1i44 s LYS 1147N -0.56 0.64 0.13 2.72 1.02 0.05 -4.46 119.74 119.29 1i44 s LYS 1147Ca 0.20 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 54.90 1i44 s LYS 1147Cb -0.15 -0.23 -0.07 0.00 -0.52 0.00 0.00 37.83 36.87 1i44 s LYS 1147CO 0.09 0.01 1.18 0.42 -0.92 0.00 0.00 175.35 176.14 1i44 s ILE 1148N -2.33 3.81 0.08 2.17 -1.09 -0.28 -0.42 121.20 123.13 1i44 s ILE 1148Ca -0.01 1.42 -0.34 0.00 -2.23 0.00 0.00 60.65 59.49 1i44 s ILE 1148Cb -0.04 -3.91 -0.18 0.00 -1.58 0.00 0.00 42.46 36.76 1i44 s ILE 1148CO -0.02 0.18 1.60 1.23 -1.23 0.00 0.00 174.94 176.70 1i44 h GLY 1149N 5.89 -1.07 -0.06 6.18 0.00 -1.60 -0.98 103.07 111.43 1i44 h GLY 1149Ca -0.43 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1i44 h GLY 1149CO 0.77 -0.38 -0.01 2.09 0.00 0.00 0.00 176.54 179.01 1i44 n ASP 1150N -5.53 -0.04 0.00 0.19 5.68 -1.26 -4.08 116.55 111.50 1i44 n ASP 1150Ca -0.13 -1.08 0.05 0.00 -0.50 0.00 0.00 54.79 53.13 1i44 n ASP 1150Cb 0.42 0.09 0.27 0.00 -1.14 0.00 0.00 41.12 40.76 1i44 n ASP 1150CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1i44 n PHE 1151N -0.02 0.00 0.00 2.11 1.16 -1.26 -4.98 117.46 114.46 1i44 n PHE 1151Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1i44 n PHE 1151Cb 0.02 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.89 1i44 n PHE 1151CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1i44 n GLY 1152N 0.56 1.51 3.67 4.97 0.00 -1.26 -4.34 105.19 110.30 1i44 n GLY 1152Ca 0.07 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 1i44 n GLY 1152CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1i44 s MET 1153N -1.34 4.33 -0.04 1.61 -2.45 -0.62 -5.02 119.30 115.77 1i44 s MET 1153Ca 0.00 1.38 0.02 0.00 -1.25 0.00 0.00 55.69 55.84 1i44 s MET 1153Cb 0.00 -3.60 0.14 0.00 1.25 0.00 0.00 34.83 32.62 1i44 s MET 1153CO 0.00 -0.50 0.75 0.25 1.05 0.00 0.00 175.02 176.57 1i44 n THR 1154N 4.99 0.54 0.00 10.11 -2.24 -1.26 -4.94 114.28 121.48 1i44 n THR 1154Ca 0.11 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1i44 n THR 1154Cb 0.47 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1i44 n THR 1154CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1i44 n LEU 1171N 0.12 0.00 -2.20 3.22 -0.00 -1.26 -5.27 117.00 111.60 1i44 n LEU 1171Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.02 1i44 n LEU 1171Cb 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.80 1i44 n LEU 1171CO 0.06 0.00 0.86 -0.81 -0.00 0.00 0.00 177.39 177.51 1i44 n PRO 1172N 0.00 0.75 -0.36 1.96 -0.04 -1.26 -4.65 135.00 131.40 1i44 n PRO 1172Ca 0.00 -0.34 0.04 0.00 -0.04 0.00 0.00 63.50 63.16 1i44 n PRO 1172Cb 0.00 -1.63 0.11 0.00 -0.04 0.00 0.00 33.50 31.94 1i44 n PRO 1172CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1i44 n VAL 1173N 2.61 -0.45 0.47 0.52 0.31 -1.26 0.09 118.33 120.62 1i44 n VAL 1173Ca 0.15 2.28 0.05 0.00 -0.01 0.00 0.00 64.34 66.81 1i44 n VAL 1173Cb 0.35 -3.11 0.26 0.00 -0.91 0.00 0.00 33.84 30.43 1i44 n VAL 1173CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1i44 n ARG 1174N -5.56 0.10 0.00 5.55 1.74 -1.26 -2.31 116.66 114.92 1i44 n ARG 1174Ca 0.14 0.23 0.02 0.00 -0.77 0.00 0.00 57.85 57.47 1i44 n ARG 1174Cb 0.46 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1i44 n ARG 1174CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1i44 n TRP 1175N -1.36 0.00 -3.09 -1.55 8.01 0.11 -4.97 117.44 114.61 1i44 n TRP 1175Ca 0.04 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.88 1i44 n TRP 1175Cb 0.10 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.34 1i44 n TRP 1175CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1i44 s MET 1176N -0.87 4.19 0.56 -0.99 -1.94 -0.83 -3.81 119.30 115.62 1i44 s MET 1176Ca 0.04 0.84 -0.17 0.00 -1.71 0.00 0.00 55.69 54.69 1i44 s MET 1176Cb 0.04 -2.72 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 1i44 s MET 1176CO 0.11 0.30 1.05 0.00 -0.01 0.00 0.00 175.02 176.47 1i44 s ALA 1177N -1.69 2.79 0.24 3.03 0.00 -1.26 -4.84 121.76 120.03 1i44 s ALA 1177Ca 0.47 0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 1i44 s ALA 1177Cb -0.15 -3.23 0.43 0.00 0.00 0.00 0.00 23.12 20.17 1i44 s ALA 1177CO 0.20 -0.66 1.73 -1.00 0.00 0.00 0.00 175.76 176.02 1i44 h PRO 1178N 0.74 0.40 0.00 0.00 0.13 -1.92 -0.45 132.00 130.90 1i44 h PRO 1178Ca -0.47 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1i44 h PRO 1178Cb 1.22 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1i44 h PRO 1178CO 0.58 0.26 -0.24 1.05 -0.23 0.00 0.00 178.00 179.43 1i44 h GLU 1179N 0.41 0.00 -0.06 0.86 9.09 -1.91 0.25 114.58 123.22 1i44 h GLU 1179Ca 0.40 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.63 1i44 h GLU 1179Cb 0.60 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.71 1i44 h GLU 1179CO -0.40 0.24 -0.67 0.77 0.05 0.00 0.00 179.01 179.00 1i44 h SER 1180N 0.00 0.68 -0.65 3.06 0.02 -1.24 0.11 113.55 115.53 1i44 h SER 1180Ca -0.00 -0.70 -0.06 0.00 -0.84 0.00 0.00 61.79 60.19 1i44 h SER 1180Cb 0.54 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1i44 h SER 1180CO 0.03 1.28 0.17 -0.07 -1.14 0.00 0.00 176.83 177.11 1i44 h LEU 1181N 0.14 0.99 0.00 5.07 3.38 -0.65 0.96 115.31 125.21 1i44 h LEU 1181Ca -0.07 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1i44 h LEU 1181Cb 1.33 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1i44 h LEU 1181CO 0.13 0.95 0.00 1.17 0.09 0.00 0.00 178.44 180.78 1i44 n LYS 1182N -4.25 0.00 0.00 1.13 4.81 0.82 -4.42 118.16 116.25 1i44 n LYS 1182Ca 0.05 0.50 0.13 0.00 -0.87 0.00 0.00 58.31 58.12 1i44 n LYS 1182Cb 0.24 -1.08 0.40 0.00 0.02 0.00 0.00 35.03 34.62 1i44 n LYS 1182CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1i44 n ASP 1183N -2.00 1.04 -1.42 3.14 8.00 0.34 -4.93 116.55 120.72 1i44 n ASP 1183Ca 0.00 -0.92 -0.13 0.00 0.71 0.00 0.00 54.79 54.44 1i44 n ASP 1183Cb 0.00 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1i44 n ASP 1183CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i44 n GLY 1184N 1.33 0.17 3.77 0.44 0.00 0.33 -4.98 105.19 106.24 1i44 n GLY 1184Ca 0.13 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1i44 n GLY 1184CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i44 s VAL 1185N -2.63 5.27 -0.12 1.61 -7.23 -1.22 -4.95 120.40 111.13 1i44 s VAL 1185Ca 0.00 0.58 0.03 0.00 -1.81 0.00 0.00 61.98 60.78 1i44 s VAL 1185Cb 0.00 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.32 1i44 s VAL 1185CO 0.00 0.46 -0.22 -0.36 -0.31 0.00 0.00 175.10 174.67 1i44 s PHE 1186N -0.06 2.63 0.34 2.82 0.40 -1.26 -3.77 117.98 119.09 1i44 s PHE 1186Ca 0.18 -1.13 0.06 0.00 -0.60 0.00 0.00 56.93 55.44 1i44 s PHE 1186Cb -0.14 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 1i44 s PHE 1186CO 0.06 -0.48 0.23 0.95 0.70 0.00 0.00 175.22 176.68 1i44 s THR 1187N 0.54 0.15 0.33 0.64 -4.23 -1.26 -4.98 115.64 106.83 1i44 s THR 1187Ca -0.13 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.64 1i44 s THR 1187Cb -0.17 -2.46 0.27 0.00 1.34 0.00 0.00 72.50 71.49 1i44 s THR 1187CO 0.04 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.12 1i44 h THR 1188N 2.08 0.57 -0.21 3.99 1.03 -1.98 -1.63 112.91 116.77 1i44 h THR 1188Ca -0.28 -0.72 -0.14 0.00 -0.01 0.00 0.00 66.41 65.25 1i44 h THR 1188Cb 1.24 1.47 -0.01 0.00 -1.07 0.00 0.00 68.15 69.79 1i44 h THR 1188CO 0.43 0.15 -0.47 0.28 -0.01 0.00 0.00 175.52 175.91 1i44 h SER 1189N 0.00 0.59 1.14 0.00 0.02 -1.92 -1.26 113.55 112.13 1i44 h SER 1189Ca -0.00 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 1i44 h SER 1189Cb 0.46 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1i44 h SER 1189CO 0.02 0.97 -0.17 0.77 -1.14 0.00 0.00 176.83 177.28 1i44 h SER 1190N 0.44 0.00 0.71 3.07 4.64 -1.69 -1.93 113.55 118.79 1i44 h SER 1190Ca 0.03 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 1i44 h SER 1190Cb 0.98 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1i44 h SER 1190CO 0.09 0.17 -0.65 0.44 -0.87 0.00 0.00 176.83 176.01 1i44 h ASP 1191N 0.00 0.00 -0.44 4.97 3.45 -0.74 -2.71 116.42 120.95 1i44 h ASP 1191Ca -0.00 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 1i44 h ASP 1191Cb 0.79 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 1i44 h ASP 1191CO 0.02 0.65 -0.30 -0.03 -1.57 0.00 0.00 179.24 178.01 1i44 h MET 1192N 0.00 0.97 0.14 3.56 4.05 -0.47 -0.29 114.93 122.89 1i44 h MET 1192Ca -0.01 -0.47 0.01 0.00 -0.28 0.00 0.00 59.70 58.96 1i44 h MET 1192Cb 1.18 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 1i44 h MET 1192CO 0.08 1.13 -0.17 2.35 0.23 0.00 0.00 176.91 180.54 1i44 h TRP 1193N 0.82 -0.45 -0.82 1.39 2.91 -1.34 -1.00 115.95 117.46 1i44 h TRP 1193Ca 0.09 0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.20 1i44 h TRP 1193Cb 0.89 0.18 -0.07 0.00 -0.51 0.00 0.00 29.16 29.65 1i44 h TRP 1193CO 0.06 -0.26 0.48 0.77 -1.03 0.00 0.00 178.44 178.46 1i44 h SER 1194N -0.35 0.71 -0.80 2.65 0.02 -1.31 0.00 113.55 114.47 1i44 h SER 1194Ca 0.01 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.13 1i44 h SER 1194Cb 0.35 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.70 1i44 h SER 1194CO -0.07 0.42 0.40 0.15 -1.14 0.00 0.00 176.83 176.59 1i44 h PHE 1195N 0.83 0.71 -0.98 3.45 3.57 -0.31 0.85 116.94 125.05 1i44 h PHE 1195Ca 0.39 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.93 1i44 h PHE 1195Cb 0.31 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1i44 h PHE 1195CO -0.05 0.20 0.65 0.78 -2.23 0.00 0.00 178.31 177.65 1i44 h GLY 1196N 0.61 1.39 2.00 2.40 0.00 0.30 -1.09 103.07 108.69 1i44 h GLY 1196Ca 0.42 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1i44 h GLY 1196CO -0.33 0.48 -0.32 -2.08 0.00 0.00 0.00 176.54 174.29 1i44 h VAL 1197N 1.31 1.12 -0.45 4.60 2.07 -0.52 -0.38 116.25 124.00 1i44 h VAL 1197Ca 0.37 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1i44 h VAL 1197Cb -0.12 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1i44 h VAL 1197CO -0.09 0.32 -0.12 0.58 0.02 0.00 0.00 177.57 178.28 1i44 h VAL 1198N 0.00 1.27 -0.56 2.57 2.07 0.08 0.38 116.25 122.05 1i44 h VAL 1198Ca -0.00 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1i44 h VAL 1198Cb 0.61 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1i44 h VAL 1198CO 0.04 0.42 0.25 -0.07 0.02 0.00 0.00 177.57 178.23 1i44 h LEU 1199N 0.70 0.76 -0.34 2.57 3.38 -0.69 0.19 115.31 121.88 1i44 h LEU 1199Ca 0.11 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1i44 h LEU 1199Cb 0.66 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1i44 h LEU 1199CO 0.05 0.70 0.22 -0.25 0.09 0.00 0.00 178.44 179.24 1i44 h TRP 1200N 0.77 0.42 -0.65 1.13 7.01 -0.71 -0.71 115.95 123.21 1i44 h TRP 1200Ca 0.19 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.27 1i44 h TRP 1200Cb 0.16 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.02 1i44 h TRP 1200CO 0.00 0.26 0.34 0.93 -2.79 0.00 0.00 178.44 177.18 1i44 h GLU 1201N 0.45 0.59 -0.87 2.65 5.08 0.49 -0.57 114.58 122.39 1i44 h GLU 1201Ca 0.13 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1i44 h GLU 1201Cb -0.04 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1i44 h GLU 1201CO -0.04 0.39 0.45 0.82 -1.00 0.00 0.00 179.01 179.63 1i44 h ILE 1202N 0.61 1.26 0.00 3.13 2.04 0.14 0.47 117.51 125.16 1i44 h ILE 1202Ca 0.30 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1i44 h ILE 1202Cb 0.24 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1i44 h ILE 1202CO -0.21 0.31 0.00 0.71 0.00 0.00 0.00 178.15 178.95 1i44 h THR 1203N 1.24 0.00 -0.54 -0.27 1.35 -0.59 -3.13 112.91 110.96 1i44 h THR 1203Ca 0.30 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1i44 h THR 1203Cb 0.08 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1i44 h THR 1203CO -0.04 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.69 1i44 n SER 1204N -2.67 3.76 -3.85 5.36 3.41 -0.27 -4.89 113.62 114.47 1i44 n SER 1204Ca 0.05 -2.17 -0.24 0.00 -0.26 0.00 0.00 58.87 56.24 1i44 n SER 1204Cb 0.47 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1i44 n SER 1204CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i44 n LEU 1205N 0.97 -2.60 -3.03 1.04 4.77 -0.55 -2.82 117.00 114.78 1i44 n LEU 1205Ca 0.20 -0.92 -0.20 0.00 -0.03 0.00 0.00 56.01 55.05 1i44 n LEU 1205Cb 0.63 -2.42 0.06 0.00 -2.33 0.00 0.00 43.42 39.36 1i44 n LEU 1205CO 0.15 0.42 0.16 0.00 -1.33 0.00 0.00 177.39 176.79 1i44 n ALA 1206N -4.35 -1.05 -1.27 -1.18 0.00 0.16 -4.06 120.51 108.75 1i44 n ALA 1206Ca -0.29 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1i44 n ALA 1206Cb 0.68 -4.48 0.14 0.00 0.00 0.00 0.00 19.45 15.79 1i44 n ALA 1206CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1i44 s GLU 1207N -5.97 1.26 -0.19 0.00 2.02 -1.13 -4.92 118.70 109.77 1i44 s GLU 1207Ca 0.44 0.73 -0.29 0.00 0.02 0.00 0.00 54.97 55.87 1i44 s GLU 1207Cb -0.19 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1i44 s GLU 1207CO 0.55 -2.21 1.06 -1.14 0.02 0.00 0.00 175.26 173.53 1i44 s GLN 1208N -4.99 4.29 0.22 1.61 2.00 -1.26 -4.90 119.66 116.64 1i44 s GLN 1208Ca 0.63 1.40 -0.31 0.00 -2.00 0.00 0.00 55.36 55.08 1i44 s GLN 1208Cb -0.17 -3.63 -0.11 0.00 0.80 0.00 0.00 33.01 29.90 1i44 s GLN 1208CO 0.56 -0.57 1.56 -1.25 -0.50 0.00 0.00 175.29 175.10 1i44 s PRO 1209N 2.95 4.19 -1.17 1.67 0.04 -1.26 -2.36 135.00 139.06 1i44 s PRO 1209Ca 0.46 2.43 -0.03 0.00 0.04 0.00 0.00 61.00 63.90 1i44 s PRO 1209Cb -0.16 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1i44 s PRO 1209CO 0.10 -0.58 0.41 0.66 0.04 0.00 0.00 177.00 177.62 1i44 n TYR 1210N 3.12 -1.39 -1.68 0.56 4.02 -1.26 -4.92 117.16 115.61 1i44 n TYR 1210Ca 0.11 0.35 -0.46 0.00 -0.01 0.00 0.00 57.90 57.89 1i44 n TYR 1210Cb 0.38 -3.57 -0.04 0.00 -0.02 0.00 0.00 39.34 36.09 1i44 n TYR 1210CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1i44 n GLN 1211N -3.12 2.29 0.00 -0.72 -0.06 -1.00 -1.12 117.38 113.66 1i44 n GLN 1211Ca -0.09 0.83 0.00 0.00 -2.00 0.00 0.00 57.00 55.74 1i44 n GLN 1211Cb 0.59 -2.66 0.00 0.00 -4.06 0.00 0.00 30.24 24.12 1i44 n GLN 1211CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1i44 n GLY 1212N 3.93 1.59 3.88 1.69 0.00 -1.26 -5.07 105.19 109.95 1i44 n GLY 1212Ca 0.19 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1i44 n GLY 1212CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i44 s LEU 1213N 0.00 4.23 0.43 0.99 1.43 -0.28 -5.09 118.68 120.39 1i44 s LEU 1213Ca 0.00 0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 53.86 1i44 s LEU 1213Cb 0.00 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1i44 s LEU 1213CO 0.00 0.01 0.73 -0.94 0.23 0.00 0.00 176.35 176.38 1i44 s SER 1214N -2.26 6.35 0.63 2.29 1.04 -1.26 -4.85 113.70 115.64 1i44 s SER 1214Ca 0.43 0.90 0.33 0.00 0.48 0.00 0.00 55.95 58.10 1i44 s SER 1214Cb -0.12 -2.23 1.85 0.00 0.10 0.00 0.00 66.02 65.62 1i44 s SER 1214CO 0.22 -0.46 2.11 0.78 0.98 0.00 0.00 173.24 176.86 1i44 h ASN 1215N 0.69 0.00 -0.18 7.02 2.35 -1.98 0.24 115.58 123.72 1i44 h ASN 1215Ca -0.47 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.18 1i44 h ASN 1215Cb 1.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.57 1i44 h ASN 1215CO 0.63 0.00 -0.28 -0.08 -1.65 0.00 0.00 177.43 176.05 1i44 h GLU 1216N 0.00 0.51 0.03 0.81 4.57 -2.00 -2.55 114.58 115.95 1i44 h GLU 1216Ca 0.04 -0.30 -0.25 0.00 -1.18 0.00 0.00 59.36 57.66 1i44 h GLU 1216Cb 0.44 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1i44 h GLU 1216CO -0.00 0.90 -1.04 1.96 -1.18 0.00 0.00 179.01 179.65 1i44 h GLN 1217N 0.16 0.52 -0.65 1.92 4.20 -1.00 -3.14 115.11 117.12 1i44 h GLN 1217Ca 0.02 -0.59 0.01 0.00 0.06 0.00 0.00 58.65 58.15 1i44 h GLN 1217Cb 0.85 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 1i44 h GLN 1217CO 0.06 1.22 0.43 0.28 -0.67 0.00 0.00 178.83 180.15 1i44 h VAL 1218N 0.27 1.15 -0.56 -0.54 2.07 -0.97 0.22 116.25 117.89 1i44 h VAL 1218Ca -0.11 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 67.20 1i44 h VAL 1218Cb 1.69 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1i44 h VAL 1218CO 0.19 0.16 0.15 0.25 0.02 0.00 0.00 177.57 178.34 1i44 h LEU 1219N 0.86 0.08 -0.02 2.57 5.85 -1.46 0.46 115.31 123.66 1i44 h LEU 1219Ca 0.25 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.92 1i44 h LEU 1219Cb -0.07 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.07 1i44 h LEU 1219CO -0.07 0.06 -0.52 0.50 -0.34 0.00 0.00 178.44 178.08 1i44 h LYS 1220N 0.30 0.38 -0.17 1.25 3.64 -1.40 -2.69 116.57 117.89 1i44 h LYS 1220Ca 0.28 -0.39 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1i44 h LYS 1220Cb 0.38 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.24 1i44 h LYS 1220CO -0.33 1.06 -0.23 0.35 -2.27 0.00 0.00 179.45 178.02 1i44 h PHE 1221N -0.14 -0.62 -0.53 1.91 3.57 -0.20 0.86 116.94 121.80 1i44 h PHE 1221Ca -0.06 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1i44 h PHE 1221Cb 1.23 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.25 1i44 h PHE 1221CO 0.15 -0.31 0.09 0.28 -2.23 0.00 0.00 178.31 176.29 1i44 h VAL 1222N -0.27 1.25 0.00 1.41 2.07 -1.03 -0.20 116.25 119.48 1i44 h VAL 1222Ca 0.11 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1i44 h VAL 1222Cb 0.45 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1i44 h VAL 1222CO -0.33 0.34 -0.03 0.24 0.02 0.00 0.00 177.57 177.81 1i44 h MET 1223N 0.76 0.00 -0.00 1.57 2.86 -1.07 -1.29 114.93 117.76 1i44 h MET 1223Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1i44 h MET 1223Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1i44 h MET 1223CO 0.01 0.03 -0.16 -0.25 1.06 0.00 0.00 176.91 177.60 1i44 n ASP 1224N -3.18 0.45 0.00 1.22 8.00 0.25 -4.90 116.55 118.39 1i44 n ASP 1224Ca -0.01 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1i44 n ASP 1224Cb 0.24 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1i44 n ASP 1224CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i44 n GLY 1225N 1.35 0.90 3.87 0.44 0.00 -0.49 -5.08 105.19 106.19 1i44 n GLY 1225Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1i44 n GLY 1225CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i44 s GLY 1226N -1.10 1.65 0.31 -0.02 0.00 -0.12 -4.98 107.32 103.06 1i44 s GLY 1226Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 44.72 44.48 1i44 s GLY 1226CO 0.00 0.14 0.54 -2.52 0.00 0.00 0.00 173.10 171.26 1i44 s TYR 1227N -3.19 0.56 0.50 1.90 1.13 -1.26 -4.27 117.35 112.72 1i44 s TYR 1227Ca 0.55 -0.94 -0.23 0.00 -1.41 0.00 0.00 57.07 55.04 1i44 s TYR 1227Cb -0.11 0.22 -0.06 0.00 -1.10 0.00 0.00 41.96 40.91 1i44 s TYR 1227CO 0.53 -1.16 1.31 -0.51 -2.51 0.00 0.00 175.55 173.21 1i44 s LEU 1228N -3.11 3.96 0.33 -3.49 1.43 -1.26 -5.02 118.68 111.53 1i44 s LEU 1228Ca 0.24 2.66 -0.20 0.00 -1.03 0.00 0.00 54.13 55.79 1i44 s LEU 1228Cb -0.02 -4.18 -0.10 0.00 0.03 0.00 0.00 46.19 41.93 1i44 s LEU 1228CO 0.14 -1.28 0.84 -1.81 0.23 0.00 0.00 176.35 174.46 1i44 s ASP 1229N -0.98 7.02 0.33 2.29 -0.00 -1.26 -5.01 116.67 119.07 1i44 s ASP 1229Ca 0.67 1.56 -0.29 0.00 -0.00 0.00 0.00 52.55 54.48 1i44 s ASP 1229Cb -0.38 -2.48 -0.11 0.00 -0.00 0.00 0.00 42.92 39.96 1i44 s ASP 1229CO 0.46 -0.16 1.40 -1.10 -0.00 0.00 0.00 175.17 175.76 1i44 s GLN 1230N -2.59 4.25 0.93 8.23 -1.52 -1.26 -4.97 119.66 122.74 1i44 s GLN 1230Ca 0.53 2.36 -0.11 0.00 -1.95 0.00 0.00 55.36 56.19 1i44 s GLN 1230Cb -0.13 -3.04 0.15 0.00 -0.22 0.00 0.00 33.01 29.77 1i44 s GLN 1230CO 0.18 -0.35 1.11 -2.14 -0.25 0.00 0.00 175.29 173.84 1i44 s PRO 1231N -1.64 0.95 0.32 2.91 0.02 -1.26 -4.89 135.00 131.40 1i44 s PRO 1231Ca 0.52 1.24 -0.29 0.00 0.02 0.00 0.00 61.00 62.49 1i44 s PRO 1231Cb -0.43 -1.74 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 1i44 s PRO 1231CO 0.55 -2.57 1.57 -0.51 -0.33 0.00 0.00 177.00 175.70 1i44 s ASP 1232N -2.90 6.35 -1.60 2.53 -0.00 -1.26 -2.47 116.67 117.32 1i44 s ASP 1232Ca 0.65 2.99 -0.17 0.00 -0.00 0.00 0.00 52.55 56.03 1i44 s ASP 1232Cb -0.21 -2.65 0.14 0.00 -0.00 0.00 0.00 42.92 40.20 1i44 s ASP 1232CO 0.59 -0.91 0.74 0.59 -0.00 0.00 0.00 175.17 176.17 1i44 n ASN 1233N 1.66 -3.45 -4.75 0.27 4.13 -1.26 -4.90 115.26 106.96 1i44 n ASN 1233Ca 0.06 -0.86 -0.41 0.00 1.68 0.00 0.00 54.58 55.05 1i44 n ASN 1233Cb 0.38 -2.83 -0.04 0.00 -1.54 0.00 0.00 39.78 35.76 1i44 n ASN 1233CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i44 s PRO 1235N -0.97 4.16 0.28 0.00 0.04 -1.26 -4.88 135.00 132.37 1i44 s PRO 1235Ca 0.49 2.52 0.01 0.00 0.04 0.00 0.00 61.00 64.06 1i44 s PRO 1235Cb -0.33 -3.21 0.66 0.00 0.04 0.00 0.00 34.50 31.66 1i44 s PRO 1235CO 0.41 -0.73 1.67 1.49 0.04 0.00 0.00 177.00 179.88 1i44 h GLU 1236N 7.17 0.26 -1.00 4.56 4.81 -2.00 -0.92 114.58 127.46 1i44 h GLU 1236Ca -0.43 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1i44 h GLU 1236Cb 1.20 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.46 1i44 h GLU 1236CO 0.94 0.17 0.65 -0.09 -0.73 0.00 0.00 179.01 179.95 1i44 h ARG 1237N 0.27 1.16 -0.11 1.92 2.43 -2.01 -1.28 114.38 116.77 1i44 h ARG 1237Ca 0.53 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.48 1i44 h ARG 1237Cb 1.02 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1i44 h ARG 1237CO -0.60 0.77 -0.58 0.28 -1.51 0.00 0.00 179.97 178.33 1i44 h VAL 1238N 1.20 1.36 -0.85 0.20 2.07 -1.56 -2.94 116.25 115.73 1i44 h VAL 1238Ca 0.42 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 1i44 h VAL 1238Cb 0.12 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1i44 h VAL 1238CO -0.16 0.57 0.50 0.74 0.02 0.00 0.00 177.57 179.24 1i44 h THR 1239N 0.26 1.24 -0.68 2.57 2.02 -0.80 -1.17 112.91 116.35 1i44 h THR 1239Ca -0.00 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1i44 h THR 1239Cb 1.09 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1i44 h THR 1239CO 0.10 0.25 0.13 0.44 0.37 0.00 0.00 175.52 176.81 1i44 h ASP 1240N 1.17 1.05 -0.36 4.18 3.32 -1.22 -0.47 116.42 124.10 1i44 h ASP 1240Ca 0.30 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1i44 h ASP 1240Cb -0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1i44 h ASP 1240CO -0.06 1.03 0.14 -0.07 -1.72 0.00 0.00 179.24 178.56 1i44 h LEU 1241N 1.04 0.49 -0.28 1.55 3.38 -1.27 -1.65 115.31 118.56 1i44 h LEU 1241Ca 0.21 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1i44 h LEU 1241Cb 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1i44 h LEU 1241CO 0.01 0.53 0.08 0.24 0.09 0.00 0.00 178.44 179.39 1i44 h MET 1242N 0.43 0.20 -0.56 1.13 2.86 -0.92 -2.22 114.93 115.85 1i44 h MET 1242Ca 0.12 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1i44 h MET 1242Cb 0.18 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1i44 h MET 1242CO -0.01 0.13 0.32 0.00 1.06 0.00 0.00 176.91 178.41 1i44 h ARG 1243N 0.20 0.60 -0.55 1.72 -0.00 -0.87 -2.03 114.38 113.45 1i44 h ARG 1243Ca 0.13 -0.04 0.05 0.00 -0.50 0.00 0.00 59.98 59.62 1i44 h ARG 1243Cb 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 29.97 29.90 1i44 h ARG 1243CO -0.14 0.40 0.29 0.52 0.00 0.00 0.00 179.97 181.03 1i44 h MET 1244N 0.62 0.54 0.00 0.04 2.07 -0.95 -1.78 114.93 115.47 1i44 h MET 1244Ca 0.23 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.82 1i44 h MET 1244Cb 0.08 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 29.68 1i44 h MET 1244CO -0.13 0.36 -0.06 0.00 1.07 0.00 0.00 176.91 178.15 1i44 n TRP 1246N -3.76 1.92 -2.07 0.00 8.01 -0.68 -3.93 117.44 116.93 1i44 n TRP 1246Ca -0.02 -0.74 -0.42 0.00 -1.31 0.00 0.00 57.50 55.01 1i44 n TRP 1246Cb 0.16 -0.48 -0.03 0.00 -2.01 0.00 0.00 31.31 28.95 1i44 n TRP 1246CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1i44 s GLN 1247N -2.72 4.30 0.26 -0.99 -0.21 -1.16 -4.89 119.66 114.25 1i44 s GLN 1247Ca 0.53 2.22 -0.02 0.00 0.02 0.00 0.00 55.36 58.11 1i44 s GLN 1247Cb 0.40 -3.15 0.50 0.00 1.00 0.00 0.00 33.01 31.76 1i44 s GLN 1247CO 0.16 -0.41 1.79 0.35 -2.12 0.00 0.00 175.29 175.06 1i44 h PHE 1248N 5.58 0.85 -3.52 0.91 3.04 -1.93 -3.38 116.94 118.49 1i44 h PHE 1248Ca -0.45 0.03 -0.57 0.00 3.98 0.00 0.00 57.97 60.97 1i44 h PHE 1248Cb 1.21 -0.25 -0.07 0.00 2.56 0.00 0.00 35.95 39.40 1i44 h PHE 1248CO 0.62 0.27 0.85 1.21 -2.02 0.00 0.00 178.31 179.24 1i44 s ASN 1249N -5.51 6.76 0.46 0.41 3.84 -1.26 -4.86 114.94 114.78 1i44 s ASN 1249Ca -0.12 0.72 0.18 0.00 0.21 0.00 0.00 52.86 53.85 1i44 s ASN 1249Cb 0.21 -2.54 1.16 0.00 -0.55 0.00 0.00 41.25 39.53 1i44 s ASN 1249CO 0.78 -1.05 1.96 1.55 -2.79 0.00 0.00 177.10 177.55 1i44 h PRO 1250N 8.66 0.27 0.00 0.43 0.13 -1.97 0.59 132.00 140.12 1i44 h PRO 1250Ca -0.22 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1i44 h PRO 1250Cb 1.06 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1i44 h PRO 1250CO 1.07 0.18 0.00 0.87 -0.23 0.00 0.00 178.00 179.89 1i44 h LYS 1251N 0.28 0.00 0.00 0.86 6.56 -1.93 -2.44 116.57 119.91 1i44 h LYS 1251Ca 0.31 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.85 1i44 h LYS 1251Cb 0.84 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.49 1i44 h LYS 1251CO -0.07 0.00 -0.76 0.52 -2.06 0.00 0.00 179.45 177.08 1i44 h MET 1252N 0.00 0.00 -7.17 3.15 2.86 -1.23 -3.47 114.93 109.07 1i44 h MET 1252Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1i44 h MET 1252Cb 0.15 0.00 0.08 0.00 0.06 0.00 0.00 31.60 31.89 1i44 h MET 1252CO 0.00 0.15 0.39 1.03 1.06 0.00 0.00 176.91 179.53 1i44 s ARG 1253N -3.16 3.10 0.94 1.72 0.52 -0.92 -4.99 118.95 116.16 1i44 s ARG 1253Ca 0.02 1.37 -0.15 0.00 -0.52 0.00 0.00 55.73 56.45 1i44 s ARG 1253Cb 0.08 -1.99 0.17 0.00 0.52 0.00 0.00 34.95 33.73 1i44 s ARG 1253CO 0.76 -1.01 1.25 -1.25 0.02 0.00 0.00 175.30 175.07 1i44 s PRO 1254N -3.91 0.83 0.26 3.54 0.04 -1.26 -5.07 135.00 129.43 1i44 s PRO 1254Ca 0.67 -0.17 0.06 0.00 0.04 0.00 0.00 61.00 61.59 1i44 s PRO 1254Cb -0.19 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1i44 s PRO 1254CO 0.37 -2.32 0.33 0.95 0.04 0.00 0.00 177.00 176.37 1i44 s THR 1255N -3.66 4.83 0.32 1.26 -4.23 -1.26 -4.91 115.64 107.98 1i44 s THR 1255Ca 0.70 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.11 1i44 s THR 1255Cb -0.07 -3.66 0.22 0.00 1.34 0.00 0.00 72.50 70.33 1i44 s THR 1255CO 0.52 -0.30 1.94 -0.26 -0.54 0.00 0.00 174.62 175.98 1i44 h PHE 1256N 1.21 0.83 -0.74 3.99 0.04 -1.94 -0.64 116.94 119.70 1i44 h PHE 1256Ca -0.50 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.24 1i44 h PHE 1256Cb 1.24 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 39.09 1i44 h PHE 1256CO 0.47 0.59 0.40 -0.07 -0.60 0.00 0.00 178.31 179.10 1i44 h LEU 1257N 0.85 0.92 -0.77 1.54 3.38 -1.94 -1.35 115.31 117.93 1i44 h LEU 1257Ca 0.21 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1i44 h LEU 1257Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1i44 h LEU 1257CO -0.03 0.75 -0.54 -0.33 0.09 0.00 0.00 178.44 178.38 1i44 h GLU 1258N 1.03 0.20 0.03 1.13 5.08 -1.64 -1.28 114.58 119.14 1i44 h GLU 1258Ca 0.26 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1i44 h GLU 1258Cb 0.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1i44 h GLU 1258CO -0.04 0.69 -0.02 0.82 -1.00 0.00 0.00 179.01 179.47 1i44 h ILE 1259N 0.16 1.07 -0.66 3.13 1.08 -0.25 -1.35 117.51 120.69 1i44 h ILE 1259Ca 0.00 -0.32 0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1i44 h ILE 1259Cb 1.00 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 36.00 1i44 h ILE 1259CO 0.08 0.08 0.43 0.58 -0.69 0.00 0.00 178.15 178.64 1i44 h VAL 1260N -0.18 1.15 -0.91 1.67 2.07 -1.16 -2.12 116.25 116.78 1i44 h VAL 1260Ca -0.00 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1i44 h VAL 1260Cb 0.17 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1i44 h VAL 1260CO 0.01 0.16 0.60 -1.13 0.02 0.00 0.00 177.57 177.22 1i44 h ASN 1261N 0.88 1.00 0.33 0.57 -1.24 -1.03 0.56 115.58 116.64 1i44 h ASN 1261Ca 0.25 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.22 1i44 h ASN 1261Cb -0.08 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 38.73 1i44 h ASN 1261CO -0.06 0.70 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.58 1i44 h LEU 1262N 1.16 0.00 -1.12 0.34 3.38 -0.57 -3.16 115.31 115.34 1i44 h LEU 1262Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1i44 h LEU 1262Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1i44 h LEU 1262CO -0.10 0.13 -0.08 0.18 0.09 0.00 0.00 178.44 178.67 1i44 n LEU 1263N -3.75 1.55 -0.14 1.67 4.77 -0.69 -4.77 117.00 115.64 1i44 n LEU 1263Ca -0.02 -0.91 0.20 0.00 -0.03 0.00 0.00 56.01 55.26 1i44 n LEU 1263Cb 0.24 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.93 1i44 n LEU 1263CO 0.31 0.31 1.22 0.07 -1.33 0.00 0.00 177.39 177.96 1i44 h LYS 1264N 1.56 0.21 -0.02 3.23 2.10 -0.89 -1.87 116.57 120.89 1i44 h LYS 1264Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1i44 h LYS 1264Cb 0.37 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1i44 h LYS 1264CO 0.00 0.14 0.00 -0.25 -2.00 0.00 0.00 179.45 177.34 1i44 n ASP 1265N -4.41 0.34 -2.18 7.07 8.00 -1.26 -3.81 116.55 120.30 1i44 n ASP 1265Ca 0.15 -1.24 -0.16 0.00 0.71 0.00 0.00 54.79 54.25 1i44 n ASP 1265Cb 0.67 -0.01 0.04 0.00 -0.02 0.00 0.00 41.12 41.80 1i44 n ASP 1265CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i44 n ASP 1266N -0.67 3.79 -4.58 -2.24 8.00 -0.70 -5.07 116.55 115.07 1i44 n ASP 1266Ca 0.20 -3.25 -0.27 0.00 0.71 0.00 0.00 54.79 52.19 1i44 n ASP 1266Cb 0.15 -0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.76 1i44 n ASP 1266CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i44 s LEU 1267N -3.58 2.80 0.46 0.64 1.43 -1.25 -4.78 118.68 114.40 1i44 s LEU 1267Ca 0.43 -1.25 -0.25 0.00 -1.03 0.00 0.00 54.13 52.04 1i44 s LEU 1267Cb 0.38 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.54 1i44 s LEU 1267CO 0.01 -0.29 1.33 1.57 0.23 0.00 0.00 176.35 179.20 1i44 n HIS 1268N -0.87 2.32 -0.25 0.29 -0.00 -1.26 -4.88 115.22 110.58 1i44 n HIS 1268Ca -0.05 0.46 0.19 0.00 -0.00 0.00 0.00 57.72 58.33 1i44 n HIS 1268Cb 0.65 -2.40 0.50 0.00 -0.00 0.00 0.00 29.99 28.74 1i44 n HIS 1268CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1i44 h PRO 1269N 2.00 0.41 0.00 1.57 0.11 -2.00 -1.96 132.00 132.13 1i44 h PRO 1269Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1i44 h PRO 1269Cb 1.29 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1i44 h PRO 1269CO 0.59 0.27 -0.11 0.66 -0.21 0.00 0.00 178.00 179.21 1i44 h SER 1270N 0.42 0.00 -0.68 -2.05 4.64 -2.02 -3.36 113.55 110.50 1i44 h SER 1270Ca 0.48 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.91 1i44 h SER 1270Cb 1.19 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.16 1i44 h SER 1270CO -0.19 0.11 -0.39 0.15 -0.87 0.00 0.00 176.83 175.64 1i44 h PHE 1271N 0.00 -1.11 -0.00 4.77 3.57 -1.71 -0.76 116.94 121.70 1i44 h PHE 1271Ca -0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1i44 h PHE 1271Cb 0.42 0.59 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1i44 h PHE 1271CO 0.00 -0.40 0.01 -1.35 -2.23 0.00 0.00 178.31 174.34 1i44 h PRO 1272N -0.15 0.00 0.00 6.41 0.11 -1.81 0.23 132.00 136.79 1i44 h PRO 1272Ca 0.23 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.30 1i44 h PRO 1272Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1i44 h PRO 1272CO -0.75 0.00 -0.21 0.93 -0.21 0.00 0.00 178.00 177.75 1i44 h GLU 1273N 0.00 0.00 0.00 1.05 5.08 -1.39 -3.37 114.58 115.96 1i44 h GLU 1273Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i44 h GLU 1273Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1i44 h GLU 1273CO -0.00 0.21 -0.20 1.33 -1.00 0.00 0.00 179.01 179.35 1i44 n VAL 1274N -3.17 0.00 -2.13 3.13 0.24 -0.60 -5.04 118.33 110.75 1i44 n VAL 1274Ca 0.03 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.34 61.62 1i44 n VAL 1274Cb 0.60 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1i44 n VAL 1274CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1i44 s SER 1275N -1.17 5.95 0.14 -1.34 1.04 0.73 -4.20 113.70 114.84 1i44 s SER 1275Ca 0.00 1.79 -0.04 0.00 0.48 0.00 0.00 55.95 58.18 1i44 s SER 1275Cb 0.00 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.52 1i44 s SER 1275CO 0.00 -1.05 1.33 0.15 0.98 0.00 0.00 173.24 174.64 1i44 h PHE 1276N 0.59 0.60 -0.84 5.02 3.57 -1.89 -2.64 116.94 121.34 1i44 h PHE 1276Ca -0.47 -0.32 0.10 0.00 3.53 0.00 0.00 57.97 60.81 1i44 h PHE 1276Cb 1.22 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.81 1i44 h PHE 1276CO 0.59 1.12 0.49 0.35 -2.23 0.00 0.00 178.31 178.63 1i44 h PHE 1277N 0.24 0.88 -0.01 0.41 3.57 -1.92 -1.69 116.94 118.43 1i44 h PHE 1277Ca -0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1i44 h PHE 1277Cb 1.53 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1i44 h PHE 1277CO 0.06 0.36 -0.31 0.72 -2.23 0.00 0.00 178.31 176.90 1i44 n HIS 1278N -4.73 0.00 -1.64 0.41 8.25 -1.22 -4.84 115.22 111.45 1i44 n HIS 1278Ca 0.14 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.30 1i44 n HIS 1278Cb 0.28 -0.11 0.09 0.00 1.12 0.00 0.00 29.99 31.37 1i44 n HIS 1278CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1i44 s SER 1279N -2.54 4.55 0.00 0.41 1.04 -0.63 -4.94 113.70 111.59 1i44 s SER 1279Ca 0.22 1.19 0.26 0.00 0.48 0.00 0.00 55.95 58.10 1i44 s SER 1279Cb 0.19 -1.90 1.30 0.00 0.10 0.00 0.00 66.02 65.70 1i44 s SER 1279CO 0.54 -1.92 1.87 -1.84 0.98 0.00 0.00 173.24 172.88 1i44 n GLU 1280N -3.38 0.35 -0.01 4.02 0.28 -1.26 -2.61 120.64 118.02 1i44 n GLU 1280Ca 0.07 0.04 0.10 0.00 -0.16 0.00 0.00 57.16 57.21 1i44 n GLU 1280Cb 0.57 -1.50 0.55 0.00 1.43 0.00 0.00 31.44 32.49 1i44 n GLU 1280CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1i44 n GLU 1281N -1.29 1.11 -2.20 3.44 1.02 -1.26 -3.47 120.64 117.98 1i44 n GLU 1281Ca 0.12 -0.16 0.01 0.00 -0.02 0.00 0.00 57.16 57.11 1i44 n GLU 1281Cb 0.21 -1.32 0.04 0.00 -0.02 0.00 0.00 31.44 30.35 1i44 n GLU 1281CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1i44 n ASN 1282N -0.64 1.50 0.00 1.62 5.15 -1.07 -5.10 115.26 116.71 1i44 n ASN 1282Ca 0.15 -2.15 0.00 0.00 -0.60 0.00 0.00 54.58 51.98 1i44 n ASN 1282Cb 0.11 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 1i44 n ASN 1282CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83