#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6a s ARG 989 N 0.00 2.36 -1.29 0.03 0.52 -1.26 -4.75 118.95 114.56 3h6a s ARG 989 Ca 0.00 -1.65 -0.03 0.00 -0.52 0.00 0.00 55.73 53.53 3h6a s ARG 989 Cb 0.00 -2.15 -0.00 0.00 0.52 0.00 0.00 34.95 33.31 3h6a s ARG 989 CO 0.00 -0.04 0.68 -0.25 0.02 0.00 0.00 175.30 175.71 3h6a n ASP 990 N -1.28 -1.73 -4.63 0.23 8.00 0.08 -4.00 116.55 113.22 3h6a n ASP 990 Ca -0.01 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.22 3h6a n ASP 990 Cb 0.63 -3.92 -0.06 0.00 -0.02 0.00 0.00 41.12 37.75 3h6a n ASP 990 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h6a s VAL 991 N -3.67 4.93 -0.14 2.53 1.01 -0.34 -1.73 120.40 122.98 3h6a s VAL 991 Ca 0.07 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 3h6a s VAL 991 Cb -0.02 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3h6a s VAL 991 CO 0.82 -0.03 -0.08 -0.69 0.00 0.00 0.00 175.10 175.12 3h6a s VAL 992 N 2.63 3.54 0.18 2.92 1.01 0.12 -0.95 120.40 129.84 3h6a s VAL 992 Ca 0.28 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 3h6a s VAL 992 Cb -0.15 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3h6a s VAL 992 CO 0.09 0.51 0.36 -0.94 0.00 0.00 0.00 175.10 175.13 3h6a s SER 993 N 0.28 -0.05 0.49 3.32 1.04 -0.76 -0.60 113.70 117.42 3h6a s SER 993 Ca -0.06 -0.78 -0.20 0.00 0.48 0.00 0.00 55.95 55.40 3h6a s SER 993 Cb -0.15 0.49 -0.08 0.00 0.10 0.00 0.00 66.02 66.38 3h6a s SER 993 CO 0.04 -0.96 1.03 -0.36 0.98 0.00 0.00 173.24 173.97 3h6a s PHE 994 N -3.95 3.05 0.29 5.02 0.40 -0.18 -0.99 117.98 121.62 3h6a s PHE 994 Ca 0.16 1.57 -0.01 0.00 -0.60 0.00 0.00 56.93 58.05 3h6a s PHE 994 Cb 0.02 -3.02 0.44 0.00 0.51 0.00 0.00 43.02 40.97 3h6a s PHE 994 CO 0.00 -0.76 1.86 1.49 0.70 0.00 0.00 175.22 178.51 3h6a h GLU 995 N 1.44 0.83 -3.82 0.44 4.57 -1.75 -3.35 114.58 112.95 3h6a h GLU 995 Ca -0.49 -0.14 -0.12 0.00 -1.18 0.00 0.00 59.36 57.43 3h6a h GLU 995 Cb 1.21 -0.14 -0.17 0.00 -0.16 0.00 0.00 28.75 29.50 3h6a h GLU 995 CO 0.59 0.71 -0.51 -0.65 -1.18 0.00 0.00 179.01 177.97 3h6a s GLN 996 N -5.31 0.62 0.46 1.92 -0.21 -1.26 -4.90 119.66 110.98 3h6a s GLN 996 Ca -0.10 -0.80 0.29 0.00 0.02 0.00 0.00 55.36 54.78 3h6a s GLN 996 Cb 0.16 0.24 1.02 0.00 1.00 0.00 0.00 33.01 35.43 3h6a s GLN 996 CO 0.79 -0.16 1.84 -1.00 -2.12 0.00 0.00 175.29 174.64 3h6a h PRO 997 N 3.51 0.00 -3.78 2.91 0.13 -1.87 -3.44 132.00 129.46 3h6a h PRO 997 Ca -0.33 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.60 3h6a h PRO 997 Cb 1.18 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.06 3h6a h PRO 997 CO 0.52 0.00 -0.68 -1.21 -0.23 0.00 0.00 178.00 176.39 3h6a s GLU 998 N -3.47 0.16 0.03 0.86 2.02 -1.26 -1.05 118.70 115.99 3h6a s GLU 998 Ca 0.04 -0.23 0.04 0.00 0.02 0.00 0.00 54.97 54.83 3h6a s GLU 998 Cb 0.08 0.06 -0.02 0.00 0.10 0.00 0.00 34.13 34.35 3h6a s GLU 998 CO 0.56 -0.03 -0.11 -0.06 0.02 0.00 0.00 175.26 175.64 3h6a s PHE 999 N -0.61 0.95 -0.11 1.61 0.08 -0.27 -4.93 117.98 114.70 3h6a s PHE 999 Ca -0.07 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.65 3h6a s PHE 999 Cb -0.04 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.82 3h6a s PHE 999 CO -0.00 -0.00 -0.12 0.45 -0.10 0.00 0.00 175.22 175.44 3h6a s SER 1000N -1.07 4.11 0.11 1.36 0.15 -1.26 -0.45 113.70 116.65 3h6a s SER 1000Ca -0.01 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.41 3h6a s SER 1000Cb -0.07 -1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 62.81 3h6a s SER 1000CO 0.01 0.23 -0.09 0.68 1.20 0.00 0.00 173.24 175.26 3h6a s VAL 1001N -0.01 0.91 0.02 4.45 -7.23 -0.11 -4.95 120.40 113.49 3h6a s VAL 1001Ca -0.03 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 3h6a s VAL 1001Cb -0.14 -1.53 -0.06 0.00 0.56 0.00 0.00 36.38 35.21 3h6a s VAL 1001CO 0.04 -0.68 0.53 -0.55 -0.31 0.00 0.00 175.10 174.13 3h6a s SER 1002N -2.73 6.96 0.53 4.85 0.15 -1.26 -1.12 113.70 121.08 3h6a s SER 1002Ca 0.09 1.13 0.27 0.00 0.70 0.00 0.00 55.95 58.15 3h6a s SER 1002Cb 0.00 -2.33 1.43 0.00 -1.71 0.00 0.00 66.02 63.41 3h6a s SER 1002CO -0.01 0.23 1.96 -0.09 1.20 0.00 0.00 173.24 176.53 3h6a h ARG 1003N 4.98 0.00 -0.00 5.44 2.43 -1.28 -0.40 114.38 125.55 3h6a h ARG 1003Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3h6a h ARG 1003Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3h6a h ARG 1003CO 0.65 0.00 -0.07 0.41 -1.51 0.00 0.00 179.97 179.45 3h6a n GLY 1004N -1.66 -1.06 0.13 2.80 0.00 -1.26 -3.77 105.19 100.37 3h6a n GLY 1004Ca 0.12 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3h6a n GLY 1004CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h6a n ASP 1005N -1.07 0.75 0.00 1.61 8.00 -0.16 -4.88 116.55 120.79 3h6a n ASP 1005Ca 0.15 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.30 3h6a n ASP 1005Cb 0.26 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3h6a n ASP 1005CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h6a n GLN 1006N -2.29 0.00 -3.73 -1.24 1.13 -1.25 -4.87 117.38 105.13 3h6a n GLN 1006Ca 0.03 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.96 3h6a n GLN 1006Cb 0.29 -1.97 -0.10 0.00 0.11 0.00 0.00 30.24 28.57 3h6a n GLN 1006CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3h6a s VAL 1007N -0.90 0.00 -0.25 5.09 0.11 -1.26 -1.13 120.40 122.06 3h6a s VAL 1007Ca 0.00 -0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.91 3h6a s VAL 1007Cb 0.00 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 3h6a s VAL 1007CO 0.00 -0.00 0.29 0.00 -3.33 0.00 0.00 175.10 172.05 3h6a s ALA 1008N 0.18 3.57 -0.23 1.54 0.00 0.71 -4.87 121.76 122.67 3h6a s ALA 1008Ca -0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 3h6a s ALA 1008Cb -0.03 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 3h6a s ALA 1008CO 0.01 -0.42 0.30 1.03 0.00 0.00 0.00 175.76 176.68 3h6a s ARG 1009N 1.55 4.11 -0.24 0.00 0.52 -1.26 -1.23 118.95 122.40 3h6a s ARG 1009Ca 0.12 -0.01 -0.00 0.00 -0.52 0.00 0.00 55.73 55.33 3h6a s ARG 1009Cb -0.15 -3.56 0.06 0.00 0.52 0.00 0.00 34.95 31.83 3h6a s ARG 1009CO 0.08 -0.04 -0.02 0.42 0.02 0.00 0.00 175.30 175.76 3h6a s ILE 1010N 1.33 1.29 0.17 1.52 1.01 0.62 -4.94 121.20 122.21 3h6a s ILE 1010Ca 0.14 -1.14 -0.30 0.00 0.00 0.00 0.00 60.65 59.35 3h6a s ILE 1010Cb -0.14 -1.66 -0.07 0.00 0.01 0.00 0.00 42.46 40.59 3h6a s ILE 1010CO 0.07 -0.19 1.05 -2.16 0.00 0.00 0.00 174.94 173.71 3h6a s PRO 1011N 1.49 4.64 -0.10 2.79 0.04 -1.26 -0.51 135.00 142.09 3h6a s PRO 1011Ca -0.03 1.64 0.03 0.00 0.04 0.00 0.00 61.00 62.68 3h6a s PRO 1011Cb -0.18 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.07 3h6a s PRO 1011CO -0.08 0.15 -0.19 0.08 0.04 0.00 0.00 177.00 177.00 3h6a s VAL 1012N -0.32 1.73 0.17 -0.36 1.01 0.03 -2.17 120.40 120.49 3h6a s VAL 1012Ca 0.48 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3h6a s VAL 1012Cb -0.28 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3h6a s VAL 1012CO 0.34 0.49 -0.07 0.27 0.00 0.00 0.00 175.10 176.13 3h6a s ILE 1013N 0.64 3.37 -0.12 2.22 -4.36 -0.16 -0.17 121.20 122.61 3h6a s ILE 1013Ca -0.13 -1.52 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 3h6a s ILE 1013Cb -0.16 -2.66 0.01 0.00 1.25 0.00 0.00 42.46 40.90 3h6a s ILE 1013CO 0.04 -0.07 -0.18 -0.60 0.24 0.00 0.00 174.94 174.36 3h6a s ARG 1014N -2.75 2.57 0.29 0.37 3.52 -0.23 -1.82 118.95 120.91 3h6a s ARG 1014Ca 0.25 -0.69 0.09 0.00 -0.13 0.00 0.00 55.73 55.25 3h6a s ARG 1014Cb -0.09 -2.13 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 3h6a s ARG 1014CO 0.16 -0.04 0.06 1.03 -0.81 0.00 0.00 175.30 175.70 3h6a s ARG 1015N 0.91 2.35 -1.13 5.12 0.52 -0.13 -4.69 118.95 121.91 3h6a s ARG 1015Ca -0.07 -1.46 -0.14 0.00 -0.52 0.00 0.00 55.73 53.54 3h6a s ARG 1015Cb -0.15 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 3h6a s ARG 1015CO -0.02 0.27 0.82 0.28 0.02 0.00 0.00 175.30 176.67 3h6a n VAL 1016N -1.00 -6.76 -2.08 3.52 0.31 -1.26 -1.20 118.33 109.86 3h6a n VAL 1016Ca -0.05 -1.04 -0.42 0.00 -0.01 0.00 0.00 64.34 62.82 3h6a n VAL 1016Cb 0.60 -4.96 -0.03 0.00 -0.91 0.00 0.00 33.84 28.54 3h6a n VAL 1016CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3h6a s LEU 1017N -6.16 4.39 0.18 7.52 1.02 -1.26 -0.74 118.68 123.63 3h6a s LEU 1017Ca 0.43 2.52 0.22 0.00 0.02 0.00 0.00 54.13 57.32 3h6a s LEU 1017Cb -0.12 -3.61 -0.02 0.00 0.02 0.00 0.00 46.19 42.46 3h6a s LEU 1017CO 0.82 -0.68 1.00 -0.67 0.02 0.00 0.00 176.35 176.85 3h6a n ASP 1018N 3.09 0.83 0.00 2.29 2.03 -1.26 -4.88 116.55 118.65 3h6a n ASP 1018Ca 0.09 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.73 3h6a n ASP 1018Cb 0.41 0.46 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 3h6a n ASP 1018CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h6a n GLY 1019N 1.21 1.07 0.00 0.27 0.00 -1.26 -5.12 105.19 101.36 3h6a n GLY 1019Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3h6a n GLY 1019CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6a n GLY 1020N 0.00 4.69 3.87 -0.02 0.00 -1.26 -4.73 105.19 107.74 3h6a n GLY 1020Ca 0.00 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 3h6a n GLY 1020CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h6a s LYS 1021N -1.09 3.70 0.02 1.61 -2.85 -1.26 -3.98 119.74 115.88 3h6a s LYS 1021Ca 0.00 0.62 -0.02 0.00 -1.00 0.00 0.00 55.97 55.57 3h6a s LYS 1021Cb 0.00 -2.22 -0.01 0.00 -2.06 0.00 0.00 37.83 33.54 3h6a s LYS 1021CO 0.00 -0.32 0.01 -1.12 0.10 0.00 0.00 175.35 174.03 3h6a s SER 1022N -3.71 0.19 0.01 0.03 0.01 -0.57 -4.79 113.70 104.86 3h6a s SER 1022Ca 0.53 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.38 3h6a s SER 1022Cb -0.10 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.24 3h6a s SER 1022CO 0.42 -0.32 -0.05 -1.58 0.41 0.00 0.00 173.24 172.13 3h6a s GLN 1023N -1.44 0.38 0.11 12.44 0.74 -1.08 -0.35 119.66 130.46 3h6a s GLN 1023Ca -0.16 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 54.97 3h6a s GLN 1023Cb -0.09 -0.29 -0.04 0.00 1.10 0.00 0.00 33.01 33.69 3h6a s GLN 1023CO -0.00 0.07 -0.09 0.14 -0.55 0.00 0.00 175.29 174.86 3h6a s VAL 1024N -0.47 0.91 0.23 1.34 -7.23 -0.87 -0.60 120.40 113.72 3h6a s VAL 1024Ca -0.02 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 3h6a s VAL 1024Cb -0.04 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 3h6a s VAL 1024CO -0.00 -0.74 0.45 -0.44 -0.31 0.00 0.00 175.10 174.06 3h6a s SER 1025N -2.90 6.41 0.03 4.85 0.01 0.16 -0.65 113.70 121.62 3h6a s SER 1025Ca 0.11 0.52 -0.00 0.00 1.31 0.00 0.00 55.95 57.89 3h6a s SER 1025Cb 0.02 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 3h6a s SER 1025CO -0.02 -0.10 -0.03 -0.72 0.41 0.00 0.00 173.24 172.78 3h6a s TYR 1026N -1.95 0.36 -0.16 2.43 -0.85 -0.25 -1.19 117.35 115.73 3h6a s TYR 1026Ca 0.41 -0.71 -0.24 0.00 -0.52 0.00 0.00 57.07 56.01 3h6a s TYR 1026Cb -0.11 -0.26 0.06 0.00 0.38 0.00 0.00 41.96 42.03 3h6a s TYR 1026CO 0.29 -0.25 0.61 -0.98 -1.52 0.00 0.00 175.55 173.70 3h6a s ARG 1027N -2.31 0.81 0.50 -3.49 1.70 -0.55 -1.36 118.95 114.25 3h6a s ARG 1027Ca -0.08 0.59 -0.18 0.00 -0.47 0.00 0.00 55.73 55.59 3h6a s ARG 1027Cb -0.04 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 3h6a s ARG 1027CO -0.04 -0.16 0.98 0.95 -1.08 0.00 0.00 175.30 175.95 3h6a s THR 1028N -0.26 4.47 -0.01 4.99 -4.23 -0.46 -0.95 115.64 119.18 3h6a s THR 1028Ca -0.04 1.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.74 3h6a s THR 1028Cb -0.03 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.14 3h6a s THR 1028CO 0.04 -0.59 0.01 -1.58 -0.54 0.00 0.00 174.62 171.96 3h6a s GLN 1029N -3.85 -0.00 0.52 3.99 0.74 0.36 -4.87 119.66 116.55 3h6a s GLN 1029Ca 0.60 0.10 -0.22 0.00 0.05 0.00 0.00 55.36 55.88 3h6a s GLN 1029Cb -0.10 -0.15 -0.06 0.00 1.10 0.00 0.00 33.01 33.80 3h6a s GLN 1029CO 0.27 -0.09 1.28 -0.25 -0.55 0.00 0.00 175.29 175.95 3h6a n ASP 1030N 3.68 2.36 0.00 6.67 8.00 -1.26 -1.01 116.55 134.98 3h6a n ASP 1030Ca -0.21 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.28 3h6a n ASP 1030Cb 0.55 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 3h6a n ASP 1030CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h6a n GLY 1031N 0.85 1.48 0.20 0.44 0.00 -0.98 -4.69 105.19 102.49 3h6a n GLY 1031Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3h6a n GLY 1031CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h6a h THR 1032N 0.00 0.00 -3.50 2.61 1.35 -1.61 -3.42 112.91 108.34 3h6a h THR 1032Ca 0.00 -0.94 -0.53 0.00 -0.55 0.00 0.00 66.41 64.39 3h6a h THR 1032Cb 0.00 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 3h6a h THR 1032CO 0.00 0.00 0.27 0.00 -0.25 0.00 0.00 175.52 175.54 3h6a s ALA 1033N -3.20 3.30 -0.03 6.62 0.00 -0.03 -4.69 121.76 123.73 3h6a s ALA 1033Ca 0.07 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.55 3h6a s ALA 1033Cb 0.06 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 3h6a s ALA 1033CO 0.67 0.01 -0.25 -0.65 0.00 0.00 0.00 175.76 175.54 3h6a s GLN 1034N -0.02 2.18 0.28 0.00 -0.21 -1.26 -4.57 119.66 116.07 3h6a s GLN 1034Ca 0.43 -0.90 -0.30 0.00 0.02 0.00 0.00 55.36 54.61 3h6a s GLN 1034Cb -0.22 -2.03 -0.13 0.00 1.00 0.00 0.00 33.01 31.63 3h6a s GLN 1034CO 0.27 0.50 1.29 0.41 -2.12 0.00 0.00 175.29 175.63 3h6a n GLY 1035N 2.59 0.51 3.43 3.09 0.00 -1.26 -0.62 105.19 112.92 3h6a n GLY 1035Ca -0.16 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3h6a n GLY 1035CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h6a n ASN 1036N 1.51 0.00 -0.02 1.61 3.02 0.16 -4.69 115.26 116.84 3h6a n ASN 1036Ca 0.09 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.58 3h6a n ASN 1036Cb 0.33 -1.04 -0.02 0.00 -0.61 0.00 0.00 39.78 38.44 3h6a n ASN 1036CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3h6a n ARG 1037N -2.00 0.16 -0.04 3.52 0.63 -0.51 -4.88 116.66 113.54 3h6a n ARG 1037Ca 0.00 0.07 0.02 0.00 -0.92 0.00 0.00 57.85 57.02 3h6a n ARG 1037Cb 0.00 -0.77 -0.13 0.00 0.45 0.00 0.00 32.46 32.01 3h6a n ARG 1037CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3h6a n ASP 1038N -3.49 1.03 -3.66 6.15 9.92 0.20 -4.68 116.55 122.03 3h6a n ASP 1038Ca -0.12 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.05 3h6a n ASP 1038Cb 0.45 1.42 -0.02 0.00 -0.64 0.00 0.00 41.12 42.33 3h6a n ASP 1038CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3h6a s TYR 1039N -2.86 -0.34 -0.32 1.24 1.13 -1.23 -1.46 117.35 113.50 3h6a s TYR 1039Ca -0.07 0.00 -0.12 0.00 -1.41 0.00 0.00 57.07 55.47 3h6a s TYR 1039Cb 0.08 0.64 -0.03 0.00 -1.10 0.00 0.00 41.96 41.56 3h6a s TYR 1039CO 0.70 -1.04 0.23 0.42 -2.51 0.00 0.00 175.55 173.34 3h6a s ILE 1040N -3.81 5.29 0.66 -3.49 -1.09 -0.10 -0.66 121.20 117.99 3h6a s ILE 1040Ca 0.07 -0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.27 3h6a s ILE 1040Cb -0.04 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 3h6a s ILE 1040CO -0.02 0.08 1.18 -2.84 -1.23 0.00 0.00 174.94 172.10 3h6a s PRO 1041N 1.76 2.62 -0.09 2.79 0.02 -1.26 -4.39 135.00 136.45 3h6a s PRO 1041Ca 0.07 1.68 -0.19 0.00 0.02 0.00 0.00 61.00 62.58 3h6a s PRO 1041Cb -0.17 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.49 3h6a s PRO 1041CO 0.11 -1.44 0.46 0.54 -0.33 0.00 0.00 177.00 176.33 3h6a s VAL 1042N -1.95 0.02 0.03 3.83 0.11 -1.26 -5.05 120.40 116.13 3h6a s VAL 1042Ca 0.73 -0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 59.57 3h6a s VAL 1042Cb -0.27 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 3h6a s VAL 1042CO 0.40 -0.09 0.05 -1.83 -3.33 0.00 0.00 175.10 170.29 3h6a s GLU 1043N -0.61 0.49 0.00 1.54 4.04 -1.26 -1.36 118.70 121.54 3h6a s GLU 1043Ca -0.07 -0.70 0.00 0.00 0.04 0.00 0.00 54.97 54.24 3h6a s GLU 1043Cb -0.03 0.19 0.00 0.00 0.02 0.00 0.00 34.13 34.30 3h6a s GLU 1043CO 0.04 -0.11 0.00 0.41 -1.84 0.00 0.00 175.26 173.76 3h6a n GLY 1044N 1.06 -0.60 3.45 -3.83 0.00 -0.47 -5.00 105.19 99.81 3h6a n GLY 1044Ca -0.21 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 3h6a n GLY 1044CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6a s GLU 1045N -0.16 2.00 -0.38 1.61 8.01 -1.26 -1.09 118.70 127.41 3h6a s GLU 1045Ca 0.00 -1.03 -0.07 0.00 0.01 0.00 0.00 54.97 53.88 3h6a s GLU 1045Cb 0.00 -2.16 0.07 0.00 -4.31 0.00 0.00 34.13 27.73 3h6a s GLU 1045CO 0.00 0.53 0.19 -0.51 0.01 0.00 0.00 175.26 175.47 3h6a s LEU 1046N -1.53 4.81 -0.39 1.80 1.43 0.18 -4.95 118.68 120.03 3h6a s LEU 1046Ca 0.15 -1.42 -0.14 0.00 -1.03 0.00 0.00 54.13 51.68 3h6a s LEU 1046Cb -0.10 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3h6a s LEU 1046CO 0.06 -0.45 0.29 -0.22 0.23 0.00 0.00 176.35 176.26 3h6a s LEU 1047N 1.38 4.89 -0.35 1.79 2.96 -1.26 -2.06 118.68 126.03 3h6a s LEU 1047Ca 0.02 -0.71 -0.22 0.00 -0.22 0.00 0.00 54.13 52.99 3h6a s LEU 1047Cb -0.22 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.31 3h6a s LEU 1047CO 0.01 -0.38 0.71 -0.36 -1.32 0.00 0.00 176.35 175.02 3h6a s PHE 1048N 1.73 3.15 0.82 5.38 0.08 0.52 -4.97 117.98 124.68 3h6a s PHE 1048Ca 0.06 0.52 -0.12 0.00 0.12 0.00 0.00 56.93 57.51 3h6a s PHE 1048Cb -0.18 -3.24 0.08 0.00 -0.57 0.00 0.00 43.02 39.11 3h6a s PHE 1048CO 0.10 -0.64 1.12 -0.65 -0.10 0.00 0.00 175.22 175.05 3h6a s GLN 1049N 2.89 1.92 0.19 0.44 -1.52 -1.26 -1.51 119.66 120.81 3h6a s GLN 1049Ca 0.28 0.46 -0.33 0.00 -1.95 0.00 0.00 55.36 53.82 3h6a s GLN 1049Cb -0.14 -1.92 -0.15 0.00 -0.22 0.00 0.00 33.01 30.59 3h6a s GLN 1049CO 0.15 -1.69 1.34 -2.30 -0.25 0.00 0.00 175.29 172.54 3h6a n PRO 1050N -3.45 1.67 0.00 2.91 -0.02 -1.26 -1.47 135.00 133.38 3h6a n PRO 1050Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3h6a n PRO 1050Cb 0.58 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3h6a n PRO 1050CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h6a n GLY 1051N 2.32 3.18 3.68 -1.23 0.00 -1.26 -5.02 105.19 106.87 3h6a n GLY 1051Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3h6a n GLY 1051CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h6a s GLU 1052N -0.54 4.31 0.00 1.61 2.12 -0.54 -4.90 118.70 120.76 3h6a s GLU 1052Ca 0.00 1.75 0.13 0.00 0.36 0.00 0.00 54.97 57.22 3h6a s GLU 1052Cb 0.00 -3.60 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 3h6a s GLU 1052CO 0.00 -0.52 0.64 0.00 -0.54 0.00 0.00 175.26 174.84 3h6a n ALA 1053N 5.49 3.41 -3.59 6.30 0.00 -1.26 -4.78 120.51 126.08 3h6a n ALA 1053Ca 0.12 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.05 3h6a n ALA 1053Cb 0.45 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 3h6a n ALA 1053CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3h6a s TRP 1054N -1.99 -0.34 0.04 0.00 1.48 -1.26 -1.07 118.94 115.81 3h6a s TRP 1054Ca 0.08 0.09 -0.01 0.00 -1.06 0.00 0.00 56.10 55.20 3h6a s TRP 1054Cb 0.10 0.59 -0.03 0.00 -1.16 0.00 0.00 33.47 32.97 3h6a s TRP 1054CO 0.45 -0.81 -0.03 0.15 -4.06 0.00 0.00 176.95 172.65 3h6a s LYS 1055N -3.48 0.53 -0.25 3.25 1.02 0.76 -4.99 119.74 116.57 3h6a s LYS 1055Ca 0.06 -1.04 -0.02 0.00 0.02 0.00 0.00 55.97 55.00 3h6a s LYS 1055Cb -0.02 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.48 3h6a s LYS 1055CO -0.05 -0.09 -0.07 -2.00 -0.92 0.00 0.00 175.35 172.22 3h6a s GLU 1056N -3.17 2.85 0.29 1.68 2.12 -1.26 -0.79 118.70 120.42 3h6a s GLU 1056Ca 0.00 -0.97 -0.28 0.00 0.36 0.00 0.00 54.97 54.08 3h6a s GLU 1056Cb 0.02 -2.97 -0.09 0.00 0.26 0.00 0.00 34.13 31.35 3h6a s GLU 1056CO -0.07 -0.39 0.98 -0.51 -0.54 0.00 0.00 175.26 174.73 3h6a s LEU 1057N 1.33 4.48 -0.29 2.70 1.43 0.33 -4.83 118.68 123.83 3h6a s LEU 1057Ca 0.00 1.98 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 3h6a s LEU 1057Cb -0.16 -3.80 0.08 0.00 0.03 0.00 0.00 46.19 42.34 3h6a s LEU 1057CO -0.05 -0.03 0.00 -1.10 0.23 0.00 0.00 176.35 175.40 3h6a s GLN 1058N -1.64 1.53 -0.22 1.70 -0.21 -1.26 -0.28 119.66 119.29 3h6a s GLN 1058Ca 0.46 -1.41 -0.08 0.00 0.02 0.00 0.00 55.36 54.35 3h6a s GLN 1058Cb -0.24 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 3h6a s GLN 1058CO 0.30 -0.79 0.10 0.08 -2.12 0.00 0.00 175.29 172.86 3h6a s VAL 1059N 1.19 4.86 0.24 1.09 1.01 -0.37 -4.91 120.40 123.50 3h6a s VAL 1059Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3h6a s VAL 1059Cb -0.19 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 3h6a s VAL 1059CO -0.10 0.39 1.18 -0.54 0.00 0.00 0.00 175.10 176.03 3h6a s LYS 1060N 0.94 4.52 0.06 2.72 1.02 -1.26 -0.21 119.74 127.54 3h6a s LYS 1060Ca 0.05 1.90 0.01 0.00 0.02 0.00 0.00 55.97 57.95 3h6a s LYS 1060Cb -0.14 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3h6a s LYS 1060CO 0.03 -0.00 0.14 -0.51 -0.92 0.00 0.00 175.35 174.09 3h6a s LEU 1061N -0.83 4.07 0.04 3.17 1.43 -0.28 -0.93 118.68 125.35 3h6a s LEU 1061Ca 0.50 0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.80 3h6a s LEU 1061Cb -0.33 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 3h6a s LEU 1061CO 0.40 0.19 -0.17 -0.76 0.23 0.00 0.00 176.35 176.24 3h6a s LEU 1062N -2.34 2.68 0.24 1.79 1.43 -0.54 -4.60 118.68 117.34 3h6a s LEU 1062Ca 0.31 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 3h6a s LEU 1062Cb -0.13 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3h6a s LEU 1062CO 0.23 0.26 0.46 -1.61 0.23 0.00 0.00 176.35 175.92 3h6a s GLU 1063N -1.45 3.57 0.00 1.70 2.02 -1.26 -4.73 118.70 118.55 3h6a s GLU 1063Ca 0.15 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.96 3h6a s GLU 1063Cb -0.11 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.37 3h6a s GLU 1063CO 0.06 0.32 0.00 1.28 0.02 0.00 0.00 175.26 176.94 3h6a n LEU 1064N -0.77 0.30 0.00 1.80 4.77 -1.26 -5.01 117.00 116.84 3h6a n LEU 1064Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3h6a n LEU 1064Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3h6a n LEU 1064CO 0.48 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 174.43 3h6a n ARG 1074N -0.48 0.00 -3.64 3.23 1.85 -1.26 -5.25 116.66 111.11 3h6a n ARG 1074Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 3h6a n ARG 1074Cb 0.00 -1.39 -0.06 0.00 -1.05 0.00 0.00 32.46 29.96 3h6a n ARG 1074CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3h6a s GLN 1075N 0.00 3.78 -0.02 2.89 0.74 -1.26 -5.00 119.66 120.79 3h6a s GLN 1075Ca 0.00 0.17 -0.00 0.00 0.05 0.00 0.00 55.36 55.58 3h6a s GLN 1075Cb 0.00 -3.23 0.03 0.00 1.10 0.00 0.00 33.01 30.91 3h6a s GLN 1075CO 0.00 0.67 0.03 0.08 -0.55 0.00 0.00 175.29 175.52 3h6a s VAL 1076N -0.87 -0.04 0.01 1.34 1.01 -1.26 -2.47 120.40 118.12 3h6a s VAL 1076Ca 0.20 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 3h6a s VAL 1076Cb -0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 3h6a s VAL 1076CO 0.09 0.10 0.05 -0.13 0.00 0.00 0.00 175.10 175.21 3h6a s ARG 1077N 1.17 0.38 -0.00 2.72 0.52 -0.84 -4.97 118.95 117.93 3h6a s ARG 1077Ca -0.08 -0.50 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 3h6a s ARG 1077Cb -0.13 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 3h6a s ARG 1077CO -0.03 -0.08 -0.22 1.03 0.02 0.00 0.00 175.30 176.02 3h6a s ARG 1078N -1.38 1.73 0.40 3.54 0.52 -1.26 -0.49 118.95 122.01 3h6a s ARG 1078Ca -0.15 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.26 3h6a s ARG 1078Cb -0.09 -1.72 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 3h6a s ARG 1078CO 0.00 0.46 0.06 -0.59 0.02 0.00 0.00 175.30 175.26 3h6a s PHE 1079N -0.58 1.97 0.15 -0.53 -0.12 -0.77 -0.85 117.98 117.24 3h6a s PHE 1079Ca 0.09 -1.02 0.08 0.00 -0.05 0.00 0.00 56.93 56.02 3h6a s PHE 1079Cb -0.09 -1.38 -0.04 0.00 -0.63 0.00 0.00 43.02 40.89 3h6a s PHE 1079CO -0.00 0.02 -0.17 -1.01 -0.05 0.00 0.00 175.22 174.01 3h6a s HIS 1080N -3.11 1.67 -0.04 3.49 3.76 -0.18 -0.61 115.29 120.27 3h6a s HIS 1080Ca 0.26 -0.50 0.04 0.00 -0.15 0.00 0.00 55.06 54.71 3h6a s HIS 1080Cb 0.06 -0.84 -0.00 0.00 1.11 0.00 0.00 32.58 32.90 3h6a s HIS 1080CO 0.13 0.26 -0.15 0.08 -0.85 0.00 0.00 174.74 174.21 3h6a s VAL 1081N -2.11 1.27 -0.04 -0.90 1.01 -0.42 -0.49 120.40 118.73 3h6a s VAL 1081Ca 0.14 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3h6a s VAL 1081Cb -0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3h6a s VAL 1081CO 0.05 0.37 -0.21 -1.10 0.00 0.00 0.00 175.10 174.21 3h6a s GLN 1082N 0.04 1.96 0.08 2.72 -0.21 -0.13 -1.06 119.66 123.06 3h6a s GLN 1082Ca -0.03 -0.76 -0.05 0.00 0.02 0.00 0.00 55.36 54.55 3h6a s GLN 1082Cb -0.10 -1.77 -0.05 0.00 1.00 0.00 0.00 33.01 32.09 3h6a s GLN 1082CO 0.01 0.38 0.31 -0.51 -2.12 0.00 0.00 175.29 173.36 3h6a s LEU 1083N -0.25 4.33 0.35 2.90 1.43 -0.10 -1.48 118.68 125.86 3h6a s LEU 1083Ca 0.02 0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 53.54 3h6a s LEU 1083Cb -0.11 -3.00 0.03 0.00 0.03 0.00 0.00 46.19 43.14 3h6a s LEU 1083CO 0.01 0.15 0.67 -0.94 0.23 0.00 0.00 176.35 176.47 3h6a s SER 1084N -2.13 0.22 -1.19 2.29 1.04 -0.33 -4.90 113.70 108.70 3h6a s SER 1084Ca 0.35 -1.16 -0.14 0.00 0.48 0.00 0.00 55.95 55.48 3h6a s SER 1084Cb -0.13 0.76 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 3h6a s SER 1084CO 0.22 -1.50 0.74 -3.20 0.98 0.00 0.00 173.24 170.48 3h6a n ASN 1085N -1.21 -4.17 -4.77 7.02 5.15 -1.26 -0.66 115.26 115.36 3h6a n ASN 1085Ca -0.05 -0.96 -0.41 0.00 -0.60 0.00 0.00 54.58 52.56 3h6a n ASN 1085Cb 0.60 -3.59 -0.02 0.00 -0.53 0.00 0.00 39.78 36.25 3h6a n ASN 1085CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3h6a s PRO 1086N -5.92 4.29 0.20 1.20 0.04 -1.26 -3.92 135.00 129.63 3h6a s PRO 1086Ca 0.34 2.31 0.03 0.00 0.04 0.00 0.00 61.00 63.72 3h6a s PRO 1086Cb -0.11 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 3h6a s PRO 1086CO 0.85 -0.31 -0.02 0.15 0.04 0.00 0.00 177.00 177.71 3h6a s LYS 1087N -1.52 1.24 -1.70 4.56 1.02 0.23 -4.81 119.74 118.77 3h6a s LYS 1087Ca 0.52 -1.61 -0.02 0.00 0.02 0.00 0.00 55.97 54.89 3h6a s LYS 1087Cb -0.42 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 3h6a s LYS 1087CO 0.53 -0.08 0.22 1.19 -0.92 0.00 0.00 175.35 176.29 3h6a n PHE 1088N -0.34 -1.37 -0.38 3.18 3.72 -1.26 -2.46 117.46 118.54 3h6a n PHE 1088Ca -0.06 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3h6a n PHE 1088Cb 0.63 -4.15 0.00 0.00 -0.94 0.00 0.00 39.48 35.02 3h6a n PHE 1088CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h6a n GLY 1089N -1.20 0.74 3.81 1.37 0.00 -1.26 -4.71 105.19 103.95 3h6a n GLY 1089Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3h6a n GLY 1089CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6a s ALA 1090N -2.45 2.73 0.10 4.61 0.00 -1.03 -4.74 121.76 120.98 3h6a s ALA 1090Ca 0.00 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.24 3h6a s ALA 1090Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3h6a s ALA 1090CO 0.00 -0.97 -0.12 -1.01 0.00 0.00 0.00 175.76 173.65 3h6a s HIS 1091N -2.74 1.20 -0.05 0.00 3.76 -0.71 -4.59 115.29 112.16 3h6a s HIS 1091Ca 0.61 -0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 54.76 3h6a s HIS 1091Cb -0.15 -0.65 -0.05 0.00 1.11 0.00 0.00 32.58 32.84 3h6a s HIS 1091CO 0.45 0.06 0.54 -0.51 -0.85 0.00 0.00 174.74 174.44 3h6a s LEU 1092N -2.25 4.36 0.00 0.89 1.43 -1.26 0.10 118.68 121.96 3h6a s LEU 1092Ca 0.04 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 3h6a s LEU 1092Cb -0.06 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.34 3h6a s LEU 1092CO 0.02 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.28 3h6a n GLY 1093N 2.73 2.65 3.53 -3.19 0.00 0.23 -4.80 105.19 106.33 3h6a n GLY 1093Ca -0.07 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 3h6a n GLY 1093CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h6a s GLN 1094N -0.88 3.55 0.12 1.61 -1.52 -1.26 -2.48 119.66 118.80 3h6a s GLN 1094Ca 0.00 -0.50 -0.20 0.00 -1.95 0.00 0.00 55.36 52.71 3h6a s GLN 1094Cb 0.00 -2.89 -0.07 0.00 -0.22 0.00 0.00 33.01 29.83 3h6a s GLN 1094CO 0.00 0.32 0.62 -1.25 -0.25 0.00 0.00 175.29 174.73 3h6a s PRO 1095N 0.15 4.25 0.00 2.91 0.04 -1.26 -4.86 135.00 136.23 3h6a s PRO 1095Ca -0.01 0.80 0.24 0.00 0.04 0.00 0.00 61.00 62.07 3h6a s PRO 1095Cb -0.14 -3.16 0.29 0.00 0.04 0.00 0.00 34.50 31.53 3h6a s PRO 1095CO 0.03 0.58 1.32 -2.39 0.04 0.00 0.00 177.00 176.57 3h6a n HIS 1096N 1.46 0.05 -4.26 0.56 1.44 -1.03 -1.01 115.22 112.43 3h6a n HIS 1096Ca -0.08 -0.03 -0.17 0.00 -2.01 0.00 0.00 57.72 55.44 3h6a n HIS 1096Cb 0.51 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.51 3h6a n HIS 1096CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3h6a s SER 1097N -1.94 2.03 0.09 4.39 1.04 -1.26 -0.92 113.70 117.12 3h6a s SER 1097Ca 0.30 -0.92 -0.06 0.00 0.48 0.00 0.00 55.95 55.75 3h6a s SER 1097Cb 0.20 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 3h6a s SER 1097CO 0.30 -0.22 0.12 0.28 0.98 0.00 0.00 173.24 174.71 3h6a s THR 1098N -2.72 0.16 -0.12 2.02 -1.32 -0.23 -4.67 115.64 108.75 3h6a s THR 1098Ca 0.14 -1.47 0.02 0.00 -1.21 0.00 0.00 61.69 59.18 3h6a s THR 1098Cb -0.01 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.46 3h6a s THR 1098CO 0.03 -0.71 -0.20 -0.89 -2.21 0.00 0.00 174.62 170.64 3h6a s THR 1099N -3.91 2.32 -0.27 5.08 2.01 -0.21 -1.30 115.64 119.36 3h6a s THR 1099Ca 0.09 -0.91 -0.09 0.00 0.31 0.00 0.00 61.69 61.08 3h6a s THR 1099Cb 0.06 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 3h6a s THR 1099CO -0.08 0.54 0.13 -0.63 -0.69 0.00 0.00 174.62 173.89 3h6a s ILE 1100N 0.55 4.77 -0.33 1.82 -1.09 0.22 -1.12 121.20 126.03 3h6a s ILE 1100Ca -0.12 -0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.15 3h6a s ILE 1100Cb -0.17 -3.27 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 3h6a s ILE 1100CO 0.04 0.28 0.21 -0.63 -1.23 0.00 0.00 174.94 173.61 3h6a s ILE 1101N 1.68 5.10 -0.35 2.92 1.01 0.41 -1.85 121.20 130.12 3h6a s ILE 1101Ca 0.07 -0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 3h6a s ILE 1101Cb -0.16 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3h6a s ILE 1101CO 0.07 0.04 0.35 -0.63 0.00 0.00 0.00 174.94 174.77 3h6a s ILE 1102N 1.70 5.18 0.08 2.92 1.01 0.36 -0.93 121.20 131.52 3h6a s ILE 1102Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.75 3h6a s ILE 1102Cb -0.17 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3h6a s ILE 1102CO 0.09 -0.09 -0.05 -0.13 0.00 0.00 0.00 174.94 174.76 3h6a s ARG 1103N 1.97 2.38 0.57 2.79 0.52 -0.27 -1.98 118.95 124.93 3h6a s ARG 1103Ca 0.11 -0.90 -0.20 0.00 -0.52 0.00 0.00 55.73 54.23 3h6a s ARG 1103Cb -0.17 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 3h6a s ARG 1103CO 0.12 0.54 1.21 -0.51 0.02 0.00 0.00 175.30 176.67 3h6a s ASP 1104N -2.14 5.38 0.00 0.23 1.01 -1.03 -0.76 116.67 119.36 3h6a s ASP 1104Ca 0.23 2.39 0.00 0.00 0.71 0.00 0.00 52.55 55.88 3h6a s ASP 1104Cb -0.11 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3h6a s ASP 1104CO 0.15 -1.46 0.40 -2.65 0.21 0.00 0.00 175.17 171.81