#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 2.17 -1.18 0.03 0.52 -1.26 -4.76 118.95 114.46 3h6a s ARG 989 Ca 0.00 -1.65 -0.04 0.00 -0.52 0.00 0.00 55.73 53.52 3h6a s ARG 989 Cb 0.00 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 3h6a s ARG 989 CO 0.00 0.17 0.85 -0.25 0.02 0.00 0.00 175.30 176.10 3h6a n ASP 990 N -0.98 -3.44 -4.62 0.23 10.43 0.27 -3.97 116.55 114.46 3h6a n ASP 990 Ca -0.04 -0.76 -0.40 0.00 2.57 0.00 0.00 54.79 56.15 3h6a n ASP 990 Cb 0.61 -4.58 -0.07 0.00 1.84 0.00 0.00 41.12 38.93 3h6a n ASP 990 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h6a s VAL 991 N -3.48 5.00 -0.14 2.53 1.01 -0.37 -1.87 120.40 123.08 3h6a s VAL 991 Ca 0.19 1.08 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 3h6a s VAL 991 Cb -0.04 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3h6a s VAL 991 CO 0.78 0.04 -0.02 -0.69 0.00 0.00 0.00 175.10 175.20 3h6a s VAL 992 N 2.47 4.04 0.23 2.92 1.01 0.15 -0.98 120.40 130.23 3h6a s VAL 992 Ca 0.25 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 3h6a s VAL 992 Cb -0.16 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3h6a s VAL 992 CO 0.09 0.51 0.48 -0.94 0.00 0.00 0.00 175.10 175.24 3h6a s SER 993 N 0.08 -0.13 0.43 3.32 1.04 -0.59 -0.41 113.70 117.44 3h6a s SER 993 Ca 0.00 -0.78 -0.22 0.00 0.48 0.00 0.00 55.95 55.43 3h6a s SER 993 Cb -0.13 0.58 -0.10 0.00 0.10 0.00 0.00 66.02 66.47 3h6a s SER 993 CO 0.02 -1.10 0.99 -0.36 0.98 0.00 0.00 173.24 173.77 3h6a s PHE 994 N -3.97 3.26 0.31 5.02 0.40 -0.35 -0.43 117.98 122.22 3h6a s PHE 994 Ca 0.17 1.63 0.06 0.00 -0.60 0.00 0.00 56.93 58.20 3h6a s PHE 994 Cb -0.01 -2.97 0.51 0.00 0.51 0.00 0.00 43.02 41.06 3h6a s PHE 994 CO 0.05 -0.37 1.74 1.49 0.70 0.00 0.00 175.22 178.83 3h6a h GLU 995 N 2.06 0.28 -4.49 0.44 4.81 -1.71 -3.37 114.58 112.59 3h6a h GLU 995 Ca -0.49 -0.11 -0.26 0.00 -0.13 0.00 0.00 59.36 58.37 3h6a h GLU 995 Cb 1.20 -0.01 -0.21 0.00 0.63 0.00 0.00 28.75 30.35 3h6a h GLU 995 CO 0.61 0.58 -0.73 -0.65 -0.73 0.00 0.00 179.01 178.09 3h6a s GLN 996 N -4.31 0.50 0.32 1.92 -0.21 -1.26 -4.94 119.66 111.68 3h6a s GLN 996 Ca -0.05 -0.73 0.26 0.00 0.02 0.00 0.00 55.36 54.86 3h6a s GLN 996 Cb 0.14 -0.24 0.87 0.00 1.00 0.00 0.00 33.01 34.78 3h6a s GLN 996 CO 0.77 0.04 1.76 -1.00 -2.12 0.00 0.00 175.29 174.74 3h6a h PRO 997 N 4.54 0.00 -4.20 2.91 0.13 -1.87 -3.44 132.00 130.07 3h6a h PRO 997 Ca -0.35 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.49 3h6a h PRO 997 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 3h6a h PRO 997 CO 0.41 0.00 -0.74 -1.21 -0.23 0.00 0.00 178.00 176.23 3h6a s GLU 998 N -3.28 0.34 0.01 0.86 2.02 -1.26 -1.37 118.70 116.02 3h6a s GLU 998 Ca 0.06 -0.23 0.05 0.00 0.02 0.00 0.00 54.97 54.88 3h6a s GLU 998 Cb 0.10 -0.28 -0.02 0.00 0.10 0.00 0.00 34.13 34.02 3h6a s GLU 998 CO 0.54 0.07 -0.16 -0.06 0.02 0.00 0.00 175.26 175.67 3h6a s PHE 999 N -0.29 1.46 -0.12 1.61 0.08 -0.30 -4.94 117.98 115.47 3h6a s PHE 999 Ca -0.01 -0.31 -0.05 0.00 0.12 0.00 0.00 56.93 56.69 3h6a s PHE 999 Cb -0.03 -0.91 -0.04 0.00 -0.57 0.00 0.00 43.02 41.47 3h6a s PHE 999 CO -0.00 0.01 0.06 -1.12 -0.10 0.00 0.00 175.22 174.07 3h6a s SER 1000N -0.69 5.70 0.23 1.36 0.01 -1.26 -0.38 113.70 118.67 3h6a s SER 1000Ca 0.05 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.55 3h6a s SER 1000Cb -0.07 -1.80 -0.05 0.00 0.21 0.00 0.00 66.02 64.32 3h6a s SER 1000CO 0.00 0.33 0.10 0.68 0.41 0.00 0.00 173.24 174.76 3h6a s VAL 1001N -0.59 0.36 0.03 3.43 -7.23 -0.03 -4.94 120.40 111.44 3h6a s VAL 1001Ca 0.11 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 3h6a s VAL 1001Cb -0.12 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3h6a s VAL 1001CO 0.02 -0.06 0.08 -0.44 -0.31 0.00 0.00 175.10 174.39 3h6a s SER 1002N -3.24 5.60 0.41 4.85 0.01 -1.26 -1.23 113.70 118.84 3h6a s SER 1002Ca 0.36 0.08 0.15 0.00 1.31 0.00 0.00 55.95 57.85 3h6a s SER 1002Cb 0.07 -1.56 1.01 0.00 0.21 0.00 0.00 66.02 65.76 3h6a s SER 1002CO 0.12 0.23 1.88 -0.09 0.41 0.00 0.00 173.24 175.79 3h6a h ARG 1003N 3.77 0.46 -0.65 12.44 2.43 -1.44 -0.71 114.38 130.68 3h6a h ARG 1003Ca -0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3h6a h ARG 1003Cb 1.17 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3h6a h ARG 1003CO 0.64 0.30 0.00 0.41 -1.51 0.00 0.00 179.97 179.81 3h6a n GLY 1004N -1.50 2.07 0.16 2.80 0.00 -1.26 -4.48 105.19 102.98 3h6a n GLY 1004Ca 0.17 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 1.44 0.60 0.00 1.61 8.00 -0.27 -4.89 116.55 123.03 3h6a n ASP 1005Ca 0.22 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.47 3h6a n ASP 1005Cb 0.56 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.27 0.00 -3.92 -1.24 1.13 -1.26 -4.82 117.38 105.01 3h6a n GLN 1006Ca -0.01 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3h6a n GLN 1006Cb 0.08 -0.16 -0.12 0.00 0.11 0.00 0.00 30.24 30.14 3h6a n GLN 1006CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3h6a s VAL 1007N 0.00 0.05 -0.19 5.09 -7.23 -1.26 -0.96 120.40 115.90 3h6a s VAL 1007Ca 0.00 -0.44 -0.13 0.00 -1.81 0.00 0.00 61.98 59.61 3h6a s VAL 1007Cb 0.00 -0.15 -0.05 0.00 0.56 0.00 0.00 36.38 36.74 3h6a s VAL 1007CO 0.00 -0.24 0.24 0.00 -0.31 0.00 0.00 175.10 174.79 3h6a s ALA 1008N -0.71 3.61 -0.28 1.32 0.00 0.17 -4.90 121.76 120.97 3h6a s ALA 1008Ca -0.08 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 3h6a s ALA 1008Cb -0.05 -2.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 3h6a s ALA 1008CO -0.00 -0.00 0.10 1.03 0.00 0.00 0.00 175.76 176.88 3h6a s ARG 1009N 0.68 3.45 -0.25 0.00 0.52 -1.26 -1.58 118.95 120.51 3h6a s ARG 1009Ca 0.13 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 3h6a s ARG 1009Cb -0.13 -3.42 0.07 0.00 0.52 0.00 0.00 34.95 31.98 3h6a s ARG 1009CO 0.03 -0.31 -0.05 0.42 0.02 0.00 0.00 175.30 175.41 3h6a s ILE 1010N 1.60 1.66 0.11 1.52 1.01 0.91 -4.93 121.20 123.07 3h6a s ILE 1010Ca 0.05 -1.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.02 3h6a s ILE 1010Cb -0.16 -1.94 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 3h6a s ILE 1010CO 0.04 -0.16 1.07 -2.16 0.00 0.00 0.00 174.94 173.74 3h6a s PRO 1011N 1.32 4.58 -0.15 2.79 0.04 -1.26 -0.67 135.00 141.64 3h6a s PRO 1011Ca -0.04 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.61 3h6a s PRO 1011Cb -0.19 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.00 3h6a s PRO 1011CO -0.07 0.01 -0.15 0.08 0.04 0.00 0.00 177.00 176.91 3h6a s VAL 1012N 0.32 2.69 0.10 -0.36 1.01 0.05 -1.93 120.40 122.28 3h6a s VAL 1012Ca 0.51 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3h6a s VAL 1012Cb -0.26 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3h6a s VAL 1012CO 0.31 0.51 0.09 0.27 0.00 0.00 0.00 175.10 176.28 3h6a s ILE 1013N 0.80 4.50 -0.11 2.22 -4.36 0.42 -0.88 121.20 123.79 3h6a s ILE 1013Ca -0.05 -0.85 0.02 0.00 -0.26 0.00 0.00 60.65 59.51 3h6a s ILE 1013Cb -0.15 -3.19 0.01 0.00 1.25 0.00 0.00 42.46 40.38 3h6a s ILE 1013CO 0.00 0.07 -0.17 -0.60 0.24 0.00 0.00 174.94 174.49 3h6a s ARG 1014N -2.54 2.39 0.34 0.37 3.52 -0.33 -1.55 118.95 121.16 3h6a s ARG 1014Ca 0.29 -0.63 0.09 0.00 -0.13 0.00 0.00 55.73 55.36 3h6a s ARG 1014Cb -0.12 -2.00 -0.05 0.00 -1.56 0.00 0.00 34.95 31.22 3h6a s ARG 1014CO 0.22 -0.04 0.02 1.03 -0.81 0.00 0.00 175.30 175.71 3h6a s ARG 1015N 0.93 2.09 -1.13 5.12 0.52 -0.15 -4.69 118.95 121.65 3h6a s ARG 1015Ca -0.07 -1.74 -0.14 0.00 -0.52 0.00 0.00 55.73 53.26 3h6a s ARG 1015Cb -0.15 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 3h6a s ARG 1015CO -0.01 0.14 0.83 0.28 0.02 0.00 0.00 175.30 176.55 3h6a n VAL 1016N -0.96 -6.82 -2.11 3.52 0.31 -1.26 -1.24 118.33 109.77 3h6a n VAL 1016Ca -0.04 -1.05 -0.42 0.00 -0.01 0.00 0.00 64.34 62.82 3h6a n VAL 1016Cb 0.62 -5.01 -0.03 0.00 -0.91 0.00 0.00 33.84 28.52 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 -6.14 4.36 0.25 7.52 1.02 -1.26 -0.56 118.68 123.86 3h6a s LEU 1017Ca 0.42 2.34 0.23 0.00 0.02 0.00 0.00 54.13 57.14 3h6a s LEU 1017Cb -0.12 -3.58 0.08 0.00 0.02 0.00 0.00 46.19 42.60 3h6a s LEU 1017CO 0.82 -0.73 1.17 -0.78 0.02 0.00 0.00 176.35 176.85 3h6a h ASP 1018N 7.26 0.00 0.00 2.29 3.58 -1.93 -3.47 116.42 124.16 3h6a h ASP 1018Ca -0.41 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.03 3h6a h ASP 1018Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 3h6a h ASP 1018CO 0.89 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.86 3h6a n GLY 1019N 1.17 1.45 0.00 -0.78 0.00 -1.26 -5.12 105.19 100.66 3h6a n GLY 1019Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 4.16 3.89 -0.02 0.00 -1.26 -4.66 105.19 107.30 3h6a n GLY 1020Ca 0.00 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.88 3.42 0.00 1.61 -2.85 -1.26 -4.06 119.74 115.72 3h6a s LYS 1021Ca 0.00 0.47 -0.04 0.00 -1.00 0.00 0.00 55.97 55.40 3h6a s LYS 1021Cb 0.00 -2.18 -0.01 0.00 -2.06 0.00 0.00 37.83 33.58 3h6a s LYS 1021CO 0.00 -0.53 0.06 -1.12 0.10 0.00 0.00 175.35 173.86 3h6a s SER 1022N -4.19 0.09 0.02 0.03 0.01 -0.57 -4.75 113.70 104.33 3h6a s SER 1022Ca 0.53 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.54 3h6a s SER 1022Cb -0.11 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 3h6a s SER 1022CO 0.50 -0.28 -0.05 -1.58 0.41 0.00 0.00 173.24 172.24 3h6a s GLN 1023N -1.16 0.38 0.12 12.44 0.74 -1.02 -0.70 119.66 130.46 3h6a s GLN 1023Ca -0.13 -0.40 0.03 0.00 0.05 0.00 0.00 55.36 54.91 3h6a s GLN 1023Cb -0.07 -0.25 -0.04 0.00 1.10 0.00 0.00 33.01 33.75 3h6a s GLN 1023CO 0.00 0.05 -0.08 0.14 -0.55 0.00 0.00 175.29 174.86 3h6a s VAL 1024N -0.69 0.89 0.24 1.34 -7.23 -0.71 -0.61 120.40 113.64 3h6a s VAL 1024Ca -0.05 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.14 3h6a s VAL 1024Cb -0.05 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 3h6a s VAL 1024CO -0.00 -0.81 0.42 -0.44 -0.31 0.00 0.00 175.10 173.96 3h6a s SER 1025N -3.10 6.35 0.04 4.85 0.01 0.82 -0.53 113.70 122.14 3h6a s SER 1025Ca 0.14 0.34 -0.03 0.00 1.31 0.00 0.00 55.95 57.72 3h6a s SER 1025Cb 0.04 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.27 3h6a s SER 1025CO -0.02 -0.11 0.03 -0.72 0.41 0.00 0.00 173.24 172.83 3h6a s TYR 1026N -1.99 0.29 -0.02 2.43 -0.85 -0.19 -0.74 117.35 116.28 3h6a s TYR 1026Ca 0.38 -0.64 -0.23 0.00 -0.52 0.00 0.00 57.07 56.06 3h6a s TYR 1026Cb -0.10 -0.21 0.05 0.00 0.38 0.00 0.00 41.96 42.07 3h6a s TYR 1026CO 0.31 -0.32 0.51 -0.98 -1.52 0.00 0.00 175.55 173.54 3h6a s ARG 1027N -2.58 0.90 0.69 -3.49 1.70 -0.60 -1.83 118.95 113.73 3h6a s ARG 1027Ca -0.05 0.01 -0.11 0.00 -0.47 0.00 0.00 55.73 55.10 3h6a s ARG 1027Cb -0.02 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3h6a s ARG 1027CO -0.05 -0.28 1.06 0.95 -1.08 0.00 0.00 175.30 175.90 3h6a s THR 1028N -1.43 4.05 -0.11 4.99 -4.23 -0.46 -0.95 115.64 117.51 3h6a s THR 1028Ca -0.11 0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 60.99 3h6a s THR 1028Cb -0.02 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 70.36 3h6a s THR 1028CO 0.06 -0.87 0.27 -1.58 -0.54 0.00 0.00 174.62 171.96 3h6a s GLN 1029N -5.12 0.27 0.40 3.99 0.74 0.28 -4.87 119.66 115.34 3h6a s GLN 1029Ca 0.58 0.50 -0.25 0.00 0.05 0.00 0.00 55.36 56.23 3h6a s GLN 1029Cb -0.13 -0.00 -0.11 0.00 1.10 0.00 0.00 33.01 33.87 3h6a s GLN 1029CO 0.54 -0.11 1.06 -0.25 -0.55 0.00 0.00 175.29 175.98 3h6a n ASP 1030N 3.73 1.53 0.00 6.67 9.92 -1.26 -1.20 116.55 135.93 3h6a n ASP 1030Ca -0.20 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.13 3h6a n ASP 1030Cb 0.55 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 3h6a n ASP 1030CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3h6a n GLY 1031N 1.11 1.79 0.20 0.44 0.00 -1.21 -4.66 105.19 102.86 3h6a n GLY 1031Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 0.63 -3.29 2.61 1.35 -1.60 -3.42 112.91 109.18 3h6a h THR 1032Ca 0.00 -1.45 -0.56 0.00 -0.55 0.00 0.00 66.41 63.84 3h6a h THR 1032Cb 0.00 1.98 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 3h6a h THR 1032CO 0.00 0.29 0.01 0.00 -0.25 0.00 0.00 175.52 175.57 3h6a s ALA 1033N -3.42 3.56 0.04 6.62 0.00 -0.10 -4.62 121.76 123.83 3h6a s ALA 1033Ca 0.02 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.14 3h6a s ALA 1033Cb 0.09 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 3h6a s ALA 1033CO 0.67 0.36 -0.19 -0.65 0.00 0.00 0.00 175.76 175.95 3h6a s GLN 1034N -1.04 1.28 0.34 0.00 -0.21 -1.26 -4.54 119.66 114.24 3h6a s GLN 1034Ca 0.30 -0.88 -0.29 0.00 0.02 0.00 0.00 55.36 54.51 3h6a s GLN 1034Cb -0.20 -1.37 -0.12 0.00 1.00 0.00 0.00 33.01 32.33 3h6a s GLN 1034CO 0.20 0.35 1.45 0.41 -2.12 0.00 0.00 175.29 175.58 3h6a n GLY 1035N 1.90 1.02 3.46 3.09 0.00 -1.26 -0.98 105.19 112.41 3h6a n GLY 1035Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3h6a n GLY 1035CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h6a n ASN 1036N 1.03 0.00 -0.04 1.61 5.15 -0.04 -4.71 115.26 118.26 3h6a n ASN 1036Ca 0.04 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.94 3h6a n ASN 1036Cb 0.37 -1.08 -0.03 0.00 -0.53 0.00 0.00 39.78 38.52 3h6a n ASN 1036CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3h6a n ARG 1037N -2.00 0.17 -0.03 1.20 0.63 -0.72 -4.90 116.66 111.01 3h6a n ARG 1037Ca 0.00 0.07 -0.00 0.00 -0.92 0.00 0.00 57.85 57.00 3h6a n ARG 1037Cb 0.00 -0.79 -0.09 0.00 0.45 0.00 0.00 32.46 32.04 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 -3.39 2.38 -3.64 6.15 9.92 -0.15 -4.66 116.55 123.15 3h6a n ASP 1038Ca -0.15 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.01 3h6a n ASP 1038Cb 0.58 1.11 -0.03 0.00 -0.64 0.00 0.00 41.12 42.15 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 -2.50 -0.29 -0.28 1.24 1.13 -1.23 -1.38 117.35 114.04 3h6a s TYR 1039Ca -0.05 -0.03 -0.13 0.00 -1.41 0.00 0.00 57.07 55.45 3h6a s TYR 1039Cb 0.05 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 3h6a s TYR 1039CO 0.45 -0.94 0.28 0.42 -2.51 0.00 0.00 175.55 173.26 3h6a s ILE 1040N -3.83 5.25 0.50 -3.49 1.01 -0.01 -0.86 121.20 119.76 3h6a s ILE 1040Ca 0.06 0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.83 3h6a s ILE 1040Cb -0.02 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 3h6a s ILE 1040CO -0.05 0.20 1.30 -2.84 0.00 0.00 0.00 174.94 173.55 3h6a s PRO 1041N 1.91 3.47 0.00 2.79 0.02 -1.26 -4.41 135.00 137.52 3h6a s PRO 1041Ca 0.11 2.11 -0.20 0.00 0.02 0.00 0.00 61.00 63.03 3h6a s PRO 1041Cb -0.16 -2.40 0.04 0.00 0.02 0.00 0.00 34.50 32.00 3h6a s PRO 1041CO 0.11 -0.89 0.45 0.54 -0.33 0.00 0.00 177.00 176.87 3h6a s VAL 1042N -1.36 0.04 -0.04 3.83 0.11 -1.26 -5.03 120.40 116.69 3h6a s VAL 1042Ca 0.66 -0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 59.22 3h6a s VAL 1042Cb -0.37 -0.85 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 3h6a s VAL 1042CO 0.45 -0.19 0.35 -1.83 -3.33 0.00 0.00 175.10 170.55 3h6a s GLU 1043N -1.79 0.65 0.00 1.54 4.04 -1.26 -1.35 118.70 120.53 3h6a s GLU 1043Ca -0.09 -0.03 0.00 0.00 0.04 0.00 0.00 54.97 54.88 3h6a s GLU 1043Cb -0.02 0.29 0.00 0.00 0.02 0.00 0.00 34.13 34.42 3h6a s GLU 1043CO 0.03 -0.17 0.00 0.41 -1.84 0.00 0.00 175.26 173.69 3h6a n GLY 1044N 1.54 1.27 3.45 -3.83 0.00 -0.76 -5.01 105.19 101.84 3h6a n GLY 1044Ca -0.20 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 1.05 1.61 -0.19 1.61 0.41 -1.26 -1.02 118.70 120.91 3h6a s GLU 1045Ca 0.00 -1.29 0.01 0.00 -0.41 0.00 0.00 54.97 53.29 3h6a s GLU 1045Cb 0.00 -2.00 0.04 0.00 -1.78 0.00 0.00 34.13 30.38 3h6a s GLU 1045CO 0.00 0.46 -0.13 -0.51 -0.49 0.00 0.00 175.26 174.59 3h6a s LEU 1046N -2.19 2.30 -0.32 1.80 1.43 0.31 -4.94 118.68 117.07 3h6a s LEU 1046Ca 0.17 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 3h6a s LEU 1046Cb -0.10 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.85 3h6a s LEU 1046CO 0.09 -0.11 0.06 -0.22 0.23 0.00 0.00 176.35 176.40 3h6a s LEU 1047N 1.35 4.14 -0.10 1.79 2.96 -1.26 -1.74 118.68 125.82 3h6a s LEU 1047Ca 0.00 -1.20 -0.25 0.00 -0.22 0.00 0.00 54.13 52.46 3h6a s LEU 1047Cb -0.16 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3h6a s LEU 1047CO -0.09 -0.30 0.79 -0.36 -1.32 0.00 0.00 176.35 175.07 3h6a s PHE 1048N 1.34 3.52 0.60 5.38 0.08 0.13 -4.97 117.98 124.05 3h6a s PHE 1048Ca -0.03 1.30 -0.03 0.00 0.12 0.00 0.00 56.93 58.29 3h6a s PHE 1048Cb -0.20 -2.93 0.03 0.00 -0.57 0.00 0.00 43.02 39.36 3h6a s PHE 1048CO 0.01 -0.06 0.87 -0.65 -0.10 0.00 0.00 175.22 175.29 3h6a s GLN 1049N 1.37 2.55 0.24 0.44 1.11 -1.26 -1.51 119.66 122.60 3h6a s GLN 1049Ca 0.39 -0.43 -0.31 0.00 0.01 0.00 0.00 55.36 55.03 3h6a s GLN 1049Cb -0.18 -2.35 -0.14 0.00 -1.01 0.00 0.00 33.01 29.34 3h6a s GLN 1049CO 0.17 -0.84 1.29 -2.30 0.01 0.00 0.00 175.29 173.62 3h6a n PRO 1050N -2.55 1.77 0.00 2.91 -0.02 -1.26 -1.95 135.00 133.90 3h6a n PRO 1050Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3h6a n PRO 1050Cb 0.59 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.85 2.92 3.69 -1.23 0.00 -1.26 -5.02 105.19 106.14 3h6a n GLY 1051Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3h6a n GLY 1051CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6a s GLU 1052N -0.46 4.35 -0.01 1.61 2.02 -0.82 -4.91 118.70 120.48 3h6a s GLU 1052Ca 0.00 1.75 0.13 0.00 0.02 0.00 0.00 54.97 56.86 3h6a s GLU 1052Cb 0.00 -3.52 -0.17 0.00 0.10 0.00 0.00 34.13 30.54 3h6a s GLU 1052CO 0.00 -0.43 0.41 0.00 0.02 0.00 0.00 175.26 175.26 3h6a n ALA 1053N 4.98 3.07 -3.47 5.21 0.00 -1.26 -4.77 120.51 124.27 3h6a n ALA 1053Ca 0.11 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 3h6a n ALA 1053Cb 0.46 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.53 -0.58 0.11 0.00 1.48 -1.26 -1.19 118.94 114.98 3h6a s TRP 1054Ca 0.00 0.68 0.03 0.00 -1.06 0.00 0.00 56.10 55.74 3h6a s TRP 1054Cb 0.09 0.49 -0.04 0.00 -1.16 0.00 0.00 33.47 32.85 3h6a s TRP 1054CO 0.53 -0.72 -0.08 0.15 -4.06 0.00 0.00 176.95 172.76 3h6a s LYS 1055N -2.57 0.91 -0.19 3.25 1.02 -0.06 -4.99 119.74 117.11 3h6a s LYS 1055Ca -0.04 -1.36 -0.02 0.00 0.02 0.00 0.00 55.97 54.57 3h6a s LYS 1055Cb -0.01 -0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 36.95 3h6a s LYS 1055CO -0.03 0.02 -0.09 -2.00 -0.92 0.00 0.00 175.35 172.33 3h6a s GLU 1056N -3.75 3.31 0.12 1.68 2.12 -1.26 -0.77 118.70 120.15 3h6a s GLU 1056Ca 0.13 -0.67 -0.20 0.00 0.36 0.00 0.00 54.97 54.58 3h6a s GLU 1056Cb 0.04 -2.84 -0.07 0.00 0.26 0.00 0.00 34.13 31.52 3h6a s GLU 1056CO -0.03 -0.10 0.64 -0.51 -0.54 0.00 0.00 175.26 174.72 3h6a s LEU 1057N 1.16 4.50 -0.15 2.70 1.43 0.16 -4.85 118.68 123.63 3h6a s LEU 1057Ca 0.02 1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 54.47 3h6a s LEU 1057Cb -0.14 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 3h6a s LEU 1057CO -0.03 0.21 -0.12 -1.10 0.23 0.00 0.00 176.35 175.54 3h6a s GLN 1058N -1.32 3.36 -0.11 1.70 -0.21 -1.26 -0.06 119.66 121.76 3h6a s GLN 1058Ca 0.33 -0.68 0.02 0.00 0.02 0.00 0.00 55.36 55.05 3h6a s GLN 1058Cb -0.20 -2.69 -0.01 0.00 1.00 0.00 0.00 33.01 31.12 3h6a s GLN 1058CO 0.21 0.13 -0.18 0.08 -2.12 0.00 0.00 175.29 173.41 3h6a s VAL 1059N 0.58 2.64 0.28 1.09 1.01 -0.61 -4.97 120.40 120.41 3h6a s VAL 1059Ca -0.07 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 3h6a s VAL 1059Cb -0.15 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 3h6a s VAL 1059CO 0.03 0.54 1.00 -0.54 0.00 0.00 0.00 175.10 176.14 3h6a s LYS 1060N 0.28 4.67 0.19 2.72 1.02 -1.26 -0.66 119.74 126.70 3h6a s LYS 1060Ca -0.13 1.57 0.05 0.00 0.02 0.00 0.00 55.97 57.49 3h6a s LYS 1060Cb -0.16 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 3h6a s LYS 1060CO 0.07 0.31 0.18 -0.51 -0.92 0.00 0.00 175.35 174.47 3h6a s LEU 1061N -1.57 3.88 -0.01 3.17 1.43 -0.14 -0.83 118.68 124.62 3h6a s LEU 1061Ca 0.45 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 3h6a s LEU 1061Cb -0.26 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 3h6a s LEU 1061CO 0.33 0.03 -0.23 -0.76 0.23 0.00 0.00 176.35 175.95 3h6a s LEU 1062N -3.36 2.07 0.04 1.79 1.43 -0.48 -4.65 118.68 115.51 3h6a s LEU 1062Ca 0.32 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 3h6a s LEU 1062Cb -0.09 -1.19 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 3h6a s LEU 1062CO 0.25 0.27 0.42 -1.61 0.23 0.00 0.00 176.35 175.91 3h6a s GLU 1063N -0.66 3.89 0.00 1.70 2.02 -1.26 -4.68 118.70 119.70 3h6a s GLU 1063Ca 0.09 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.45 3h6a s GLU 1063Cb -0.09 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.01 3h6a s GLU 1063CO -0.00 0.63 0.00 1.28 0.02 0.00 0.00 175.26 177.19 3h6a n LEU 1064N 1.47 0.00 0.00 1.80 4.77 -1.26 -5.04 117.00 118.73 3h6a n LEU 1064Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3h6a n LEU 1064Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3h6a n LEU 1064CO 0.39 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.63 3h6a n LEU 1070N 0.00 0.00 0.00 2.23 4.77 -1.26 -5.21 117.00 117.54 3h6a n LEU 1070Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3h6a n LEU 1070Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3h6a n LEU 1070CO 0.00 0.00 0.20 0.18 -1.33 0.00 0.00 177.39 176.44 3h6a n LEU 1071N 0.00 0.70 -4.72 2.23 4.77 -1.26 -4.97 117.00 113.75 3h6a n LEU 1071Ca 0.00 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 3h6a n LEU 1071Cb 0.00 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3h6a n LEU 1071CO 0.00 0.16 1.32 0.54 -1.33 0.00 0.00 177.39 178.08 3h6a n ARG 1072N -1.56 2.70 -0.14 3.23 1.74 -1.26 -1.37 116.66 119.99 3h6a n ARG 1072Ca 0.04 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 3h6a n ARG 1072Cb 0.35 -2.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 3h6a n ARG 1072CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h6a n GLY 1073N 3.43 0.91 0.91 -0.13 0.00 -1.26 -4.86 105.19 104.19 3h6a n GLY 1073Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 3h6a n GLY 1073CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h6a n ARG 1074N -2.00 0.00 -3.71 1.61 1.74 -0.47 -4.80 116.66 109.03 3h6a n ARG 1074Ca 0.00 -1.36 -0.36 0.00 -0.77 0.00 0.00 57.85 55.35 3h6a n ARG 1074Cb 0.00 -0.27 -0.07 0.00 -1.02 0.00 0.00 32.46 31.11 3h6a n ARG 1074CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3h6a s GLN 1075N 0.00 3.93 -0.03 5.56 0.74 -1.16 -5.03 119.66 123.68 3h6a s GLN 1075Ca 0.13 -0.05 -0.00 0.00 0.05 0.00 0.00 55.36 55.49 3h6a s GLN 1075Cb 0.15 -3.33 0.03 0.00 1.10 0.00 0.00 33.01 30.97 3h6a s GLN 1075CO -0.07 0.48 0.02 0.08 -0.55 0.00 0.00 175.29 175.26 3h6a s VAL 1076N -0.22 0.01 0.05 1.34 1.01 -1.26 -2.76 120.40 118.58 3h6a s VAL 1076Ca 0.14 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 3h6a s VAL 1076Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 3h6a s VAL 1076CO 0.03 0.12 0.04 -0.13 0.00 0.00 0.00 175.10 175.16 3h6a s ARG 1077N 1.21 0.63 -0.07 2.72 0.52 -0.95 -4.99 118.95 118.01 3h6a s ARG 1077Ca -0.07 -1.02 -0.11 0.00 -0.52 0.00 0.00 55.73 54.00 3h6a s ARG 1077Cb -0.13 0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.60 3h6a s ARG 1077CO -0.03 -0.14 0.28 -0.98 0.02 0.00 0.00 175.30 174.44 3h6a s ARG 1078N -3.45 0.43 0.47 3.54 1.70 -1.26 -0.13 118.95 120.26 3h6a s ARG 1078Ca 0.02 0.16 0.02 0.00 -0.47 0.00 0.00 55.73 55.47 3h6a s ARG 1078Cb 0.04 0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 3h6a s ARG 1078CO -0.08 -0.08 0.08 -0.59 -1.08 0.00 0.00 175.30 173.54 3h6a s PHE 1079N -0.39 1.77 0.12 5.89 -0.12 -0.29 -0.93 117.98 124.04 3h6a s PHE 1079Ca -0.05 -1.20 0.07 0.00 -0.05 0.00 0.00 56.93 55.71 3h6a s PHE 1079Cb -0.03 -1.34 -0.04 0.00 -0.63 0.00 0.00 43.02 40.98 3h6a s PHE 1079CO 0.01 -0.11 -0.17 -1.01 -0.05 0.00 0.00 175.22 173.89 3h6a s HIS 1080N -3.05 1.62 -0.05 3.49 3.76 -0.34 0.11 115.29 120.83 3h6a s HIS 1080Ca 0.12 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.58 3h6a s HIS 1080Cb 0.01 -0.85 0.01 0.00 1.11 0.00 0.00 32.58 32.85 3h6a s HIS 1080CO 0.08 0.21 -0.12 0.08 -0.85 0.00 0.00 174.74 174.15 3h6a s VAL 1081N -1.70 1.03 -0.02 -0.90 1.01 -0.57 -0.56 120.40 118.69 3h6a s VAL 1081Ca 0.09 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3h6a s VAL 1081Cb -0.07 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3h6a s VAL 1081CO 0.04 0.32 -0.25 -1.10 0.00 0.00 0.00 175.10 174.12 3h6a s GLN 1082N 0.42 2.07 0.06 2.72 -0.21 -0.12 -1.17 119.66 123.43 3h6a s GLN 1082Ca -0.09 -0.88 -0.05 0.00 0.02 0.00 0.00 55.36 54.36 3h6a s GLN 1082Cb -0.13 -1.96 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 3h6a s GLN 1082CO 0.02 0.51 0.30 -0.51 -2.12 0.00 0.00 175.29 173.49 3h6a s LEU 1083N -0.52 4.33 0.00 2.90 1.43 -0.23 -1.56 118.68 125.04 3h6a s LEU 1083Ca 0.08 0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 3h6a s LEU 1083Cb -0.10 -2.95 0.04 0.00 0.03 0.00 0.00 46.19 43.21 3h6a s LEU 1083CO -0.00 0.17 0.70 -1.54 0.23 0.00 0.00 176.35 175.90 3h6a n SER 1084N 0.62 -2.01 -3.68 2.29 3.41 0.08 -4.91 113.62 109.41 3h6a n SER 1084Ca -0.07 -2.66 -0.24 0.00 -0.26 0.00 0.00 58.87 55.64 3h6a n SER 1084Cb 0.52 3.43 0.03 0.00 -0.26 0.00 0.00 64.21 67.93 3h6a n SER 1084CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3h6a n ASN 1085N -1.55 -2.80 -4.76 4.04 3.02 -1.26 -0.13 115.26 111.82 3h6a n ASN 1085Ca -0.06 -0.89 -0.41 0.00 -0.03 0.00 0.00 54.58 53.19 3h6a n ASN 1085Cb 0.59 -3.84 -0.02 0.00 -0.61 0.00 0.00 39.78 35.89 3h6a n ASN 1085CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3h6a s PRO 1086N -5.89 4.35 0.17 3.52 0.04 -1.26 -3.85 135.00 132.07 3h6a s PRO 1086Ca 0.19 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.46 3h6a s PRO 1086Cb -0.06 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 3h6a s PRO 1086CO 0.83 -0.23 -0.00 0.15 0.04 0.00 0.00 177.00 177.79 3h6a s LYS 1087N -1.37 1.11 -1.36 4.56 1.02 0.22 -4.80 119.74 119.12 3h6a s LYS 1087Ca 0.51 -1.53 -0.02 0.00 0.02 0.00 0.00 55.97 54.96 3h6a s LYS 1087Cb -0.40 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 3h6a s LYS 1087CO 0.50 -0.12 0.25 1.19 -0.92 0.00 0.00 175.35 176.24 3h6a n PHE 1088N -0.24 -1.20 -0.45 3.18 3.72 -1.26 -2.43 117.46 118.78 3h6a n PHE 1088Ca -0.07 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 3h6a n PHE 1088Cb 0.63 -3.64 0.00 0.00 -0.94 0.00 0.00 39.48 35.54 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 0.73 3.75 1.37 0.00 -1.26 -4.67 105.19 103.91 3h6a n GLY 1089Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.86 2.24 0.11 4.61 0.00 -1.03 -4.74 121.76 120.10 3h6a s ALA 1090Ca 0.00 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.57 3h6a s ALA 1090Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3h6a s ALA 1090CO 0.00 -1.66 -0.12 -1.01 0.00 0.00 0.00 175.76 172.97 3h6a s HIS 1091N -2.41 1.20 -0.11 0.00 3.76 -0.78 -4.54 115.29 112.41 3h6a s HIS 1091Ca 0.67 -0.60 -0.16 0.00 -0.15 0.00 0.00 55.06 54.82 3h6a s HIS 1091Cb -0.22 -0.64 -0.05 0.00 1.11 0.00 0.00 32.58 32.78 3h6a s HIS 1091CO 0.47 0.06 0.39 -0.51 -0.85 0.00 0.00 174.74 174.31 3h6a s LEU 1092N -2.42 4.31 0.00 0.89 1.43 -1.26 0.31 118.68 121.94 3h6a s LEU 1092Ca 0.06 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 3h6a s LEU 1092Cb -0.04 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.63 3h6a s LEU 1092CO 0.01 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3h6a n GLY 1093N 3.00 1.98 3.31 -3.19 0.00 0.45 -4.82 105.19 105.93 3h6a n GLY 1093Ca -0.10 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 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 1.19 2.84 0.12 1.61 -1.52 -1.26 -2.72 119.66 119.92 3h6a s GLN 1094Ca 0.00 -0.82 -0.27 0.00 -1.95 0.00 0.00 55.36 52.32 3h6a s GLN 1094Cb 0.00 -2.33 -0.07 0.00 -0.22 0.00 0.00 33.01 30.39 3h6a s GLN 1094CO 0.00 0.33 0.84 -1.25 -0.25 0.00 0.00 175.29 174.96 3h6a s PRO 1095N -0.02 4.61 0.00 2.91 0.04 -1.26 -4.88 135.00 136.40 3h6a s PRO 1095Ca -0.06 1.24 0.26 0.00 0.04 0.00 0.00 61.00 62.47 3h6a s PRO 1095Cb -0.15 -3.33 0.53 0.00 0.04 0.00 0.00 34.50 31.60 3h6a s PRO 1095CO 0.05 0.38 1.45 -2.39 0.04 0.00 0.00 177.00 176.53 3h6a n HIS 1096N 2.29 0.00 -3.98 0.56 1.44 -1.10 -1.21 115.22 113.22 3h6a n HIS 1096Ca -0.02 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.55 3h6a n HIS 1096Cb 0.49 -0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.46 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 -2.02 0.23 0.23 4.39 1.04 -1.26 -1.06 113.70 115.25 3h6a s SER 1097Ca 0.32 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.76 3h6a s SER 1097Cb 0.20 -0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 3h6a s SER 1097CO 0.32 0.02 -0.03 0.28 0.98 0.00 0.00 173.24 174.82 3h6a s THR 1098N -0.02 1.20 -0.10 2.02 -1.32 -0.32 -4.80 115.64 112.30 3h6a s THR 1098Ca 0.00 -2.06 0.03 0.00 -1.21 0.00 0.00 61.69 58.45 3h6a s THR 1098Cb -0.01 -2.31 0.01 0.00 -1.51 0.00 0.00 72.50 68.68 3h6a s THR 1098CO -0.00 -0.37 -0.18 -0.89 -2.21 0.00 0.00 174.62 170.97 3h6a s THR 1099N -3.31 1.64 -0.30 5.08 2.01 -0.47 -1.50 115.64 118.79 3h6a s THR 1099Ca 0.27 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 3h6a s THR 1099Cb 0.05 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 3h6a s THR 1099CO 0.09 0.47 0.19 -0.63 -0.69 0.00 0.00 174.62 174.04 3h6a s ILE 1100N 0.68 5.04 -0.31 1.82 -1.09 0.12 -1.15 121.20 126.31 3h6a s ILE 1100Ca -0.13 -0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.07 3h6a s ILE 1100Cb -0.16 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 3h6a s ILE 1100CO 0.03 0.14 0.19 -0.63 -1.23 0.00 0.00 174.94 173.44 3h6a s ILE 1101N 1.70 4.99 -0.35 2.92 1.01 0.49 -1.14 121.20 130.81 3h6a s ILE 1101Ca 0.06 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 3h6a s ILE 1101Cb -0.17 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3h6a s ILE 1101CO 0.09 0.10 0.22 -0.63 0.00 0.00 0.00 174.94 174.72 3h6a s ILE 1102N 1.69 4.93 0.17 2.92 1.01 0.82 -0.85 121.20 131.88 3h6a s ILE 1102Ca 0.06 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.29 3h6a s ILE 1102Cb -0.17 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3h6a s ILE 1102CO 0.09 -0.10 -0.10 -0.13 0.00 0.00 0.00 174.94 174.70 3h6a s ARG 1103N 1.65 2.06 0.64 2.79 0.52 -0.36 -2.24 118.95 124.00 3h6a s ARG 1103Ca 0.05 -1.22 -0.16 0.00 -0.52 0.00 0.00 55.73 53.87 3h6a s ARG 1103Cb -0.18 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.10 3h6a s ARG 1103CO 0.08 0.45 1.15 -0.51 0.02 0.00 0.00 175.30 176.49 3h6a s ASP 1104N -2.70 5.07 0.23 0.23 1.01 -1.11 -1.10 116.67 118.30 3h6a s ASP 1104Ca 0.24 2.16 -0.31 0.00 0.71 0.00 0.00 52.55 55.35 3h6a s ASP 1104Cb -0.09 -2.57 -0.14 0.00 1.01 0.00 0.00 42.92 41.13 3h6a s ASP 1104CO 0.15 -1.66 1.38 -2.65 0.21 0.00 0.00 175.17 172.60 3h6a n PRO 1105N -2.12 1.93 -2.82 8.23 -0.02 -1.26 -4.89 135.00 134.05 3h6a n PRO 1105Ca 0.12 0.69 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 3h6a n PRO 1105Cb 0.51 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 3h6a n PRO 1105CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h6a s ASP 1106N 0.27 6.72 0.00 2.55 1.01 -1.26 -4.55 116.67 121.40 3h6a s ASP 1106Ca 0.69 -2.16 0.15 0.00 0.71 0.00 0.00 52.55 51.94 3h6a s ASP 1106Cb -0.67 -2.45 0.12 0.00 1.01 0.00 0.00 42.92 40.92 3h6a s ASP 1106CO 0.50 -1.10 0.98 -0.62 0.21 0.00 0.00 175.17 175.14