#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gag h SER 982 N 0.00 0.30 -0.72 -3.46 0.87 -2.08 -3.17 113.55 105.29 1gag h SER 982 Ca 0.00 -0.02 0.21 0.00 -1.23 0.00 0.00 61.79 60.75 1gag h SER 982 Cb 0.00 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1gag h SER 982 CO 0.00 0.28 0.66 0.58 -0.53 0.00 0.00 176.83 177.82 1gag h VAL 983 N 0.34 0.36 -0.12 2.23 2.07 -2.08 -0.73 116.25 118.32 1gag h VAL 983 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1gag h VAL 983 Cb 0.08 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1gag h VAL 983 CO -0.01 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.07 1gag n PHE 984 N -3.83 0.15 -3.20 1.57 3.72 -1.20 -4.10 117.46 110.58 1gag n PHE 984 Ca 0.15 -0.08 -0.23 0.00 -0.05 0.00 0.00 57.45 57.24 1gag n PHE 984 Cb 0.92 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.40 1gag n PHE 984 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1gag n VAL 985 N -0.14 -0.22 -1.62 -4.37 0.31 -0.28 -5.12 118.33 106.89 1gag n VAL 985 Ca 0.12 -4.29 -0.30 0.00 -0.01 0.00 0.00 64.34 59.86 1gag n VAL 985 Cb 0.18 -1.53 0.08 0.00 -0.91 0.00 0.00 33.84 31.67 1gag n VAL 985 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1gag s PRO 986 N -1.66 2.20 -0.23 5.55 0.02 -1.26 -5.05 135.00 134.58 1gag s PRO 986 Ca 0.37 0.59 -0.09 0.00 0.02 0.00 0.00 61.00 61.89 1gag s PRO 986 Cb 0.22 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.76 1gag s PRO 986 CO -0.10 -1.53 0.11 0.34 -0.33 0.00 0.00 177.00 175.50 1gag s ASP 987 N -4.00 5.77 0.58 2.53 -1.08 -1.26 -4.99 116.67 114.23 1gag s ASP 987 Ca 0.60 0.04 0.30 0.00 -0.52 0.00 0.00 52.55 52.97 1gag s ASP 987 Cb -0.14 -2.03 1.79 0.00 -1.46 0.00 0.00 42.92 41.08 1gag s ASP 987 CO 0.54 0.07 2.23 1.05 0.52 0.00 0.00 175.17 179.58 1gag h GLU 988 N 7.44 0.00 0.00 4.34 -0.00 -2.02 -2.42 114.58 121.93 1gag h GLU 988 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.99 1gag h GLU 988 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.92 1gag h GLU 988 CO 0.65 0.02 -0.42 0.91 -0.00 0.00 0.00 179.01 180.17 1gag n TRP 989 N -3.79 0.00 -1.70 2.06 7.02 -1.26 -4.92 117.44 114.85 1gag n TRP 989 Ca -0.03 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.02 1gag n TRP 989 Cb 0.11 -0.29 -0.02 0.00 -2.42 0.00 0.00 31.31 28.68 1gag n TRP 989 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1gag n GLU 990 N -1.50 2.31 -4.33 -0.99 4.07 -0.91 -0.65 120.64 118.64 1gag n GLU 990 Ca 0.06 0.82 -0.18 0.00 -0.06 0.00 0.00 57.16 57.80 1gag n GLU 990 Cb 0.34 -2.54 -0.14 0.00 -0.06 0.00 0.00 31.44 29.03 1gag n GLU 990 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1gag s VAL 991 N 0.04 0.73 0.13 6.31 1.01 -0.40 -4.79 120.40 123.42 1gag s VAL 991 Ca 0.67 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 1gag s VAL 991 Cb -0.59 -0.63 -0.08 0.00 0.00 0.00 0.00 36.38 35.09 1gag s VAL 991 CO 0.48 0.14 1.34 -0.55 0.00 0.00 0.00 175.10 176.51 1gag s SER 992 N -0.40 6.88 0.60 3.32 0.15 -1.26 -4.28 113.70 118.70 1gag s SER 992 Ca 0.02 2.30 0.30 0.00 0.70 0.00 0.00 55.95 59.27 1gag s SER 992 Cb -0.04 -2.59 1.68 0.00 -1.71 0.00 0.00 66.02 63.36 1gag s SER 992 CO -0.00 -0.60 2.09 -0.09 1.20 0.00 0.00 173.24 175.84 1gag h ARG 993 N 6.47 0.00 0.00 5.44 2.43 -1.96 -1.02 114.38 125.74 1gag h ARG 993 Ca -0.43 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 1gag h ARG 993 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1gag h ARG 993 CO 0.84 0.00 -0.09 1.05 -1.51 0.00 0.00 179.97 180.26 1gag h GLU 994 N 0.00 0.00 -0.00 0.20 4.11 -1.99 -2.19 114.58 114.71 1gag h GLU 994 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1gag h GLU 994 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1gag h GLU 994 CO -0.00 0.09 -0.12 1.63 0.07 0.00 0.00 179.01 180.68 1gag n LYS 995 N -4.24 0.14 -3.83 1.06 5.02 -0.39 -4.85 118.16 111.08 1gag n LYS 995 Ca -0.03 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.87 1gag n LYS 995 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1gag n LYS 995 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1gag s ILE 996 N -2.88 5.41 -0.04 -0.18 -1.09 -0.82 -0.66 121.20 120.94 1gag s ILE 996 Ca 0.17 0.19 -0.00 0.00 -2.23 0.00 0.00 60.65 58.77 1gag s ILE 996 Cb 0.19 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.61 1gag s ILE 996 CO 0.55 0.51 0.01 -0.89 -1.23 0.00 0.00 174.94 173.89 1gag s THR 997 N -1.14 0.14 -0.02 2.92 2.01 -0.33 -5.01 115.64 114.20 1gag s THR 997 Ca 0.21 0.17 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 1gag s THR 997 Cb -0.13 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1gag s THR 997 CO 0.10 0.17 0.33 -0.76 -0.69 0.00 0.00 174.62 173.77 1gag s LEU 998 N 1.43 4.44 -0.06 4.42 1.02 -1.26 -1.49 118.68 127.18 1gag s LEU 998 Ca -0.04 0.80 -0.03 0.00 0.02 0.00 0.00 54.13 54.88 1gag s LEU 998 Cb -0.13 -2.50 -0.03 0.00 0.02 0.00 0.00 46.19 43.56 1gag s LEU 998 CO -0.03 0.33 -0.07 0.18 0.02 0.00 0.00 176.35 176.78 1gag n LEU 999 N 1.72 0.62 -3.69 1.79 4.77 0.73 -4.95 117.00 117.99 1gag n LEU 999 Ca -0.15 0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.81 1gag n LEU 999 Cb 0.53 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1gag n LEU 999 CO 0.36 0.16 0.48 0.00 -1.33 0.00 0.00 177.39 177.07 1gag s ARG 1000N -2.11 1.51 0.03 3.23 1.70 -1.13 -5.00 118.95 117.19 1gag s ARG 1000Ca -0.08 -0.75 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 1gag s ARG 1000Cb 0.03 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 1gag s ARG 1000CO 0.11 -0.68 1.03 -2.00 -1.08 0.00 0.00 175.30 172.67 1gag s GLU 1001N -3.76 4.55 -0.01 3.89 2.12 -1.26 -0.22 118.70 124.01 1gag s GLU 1001Ca 0.08 1.51 0.22 0.00 0.36 0.00 0.00 54.97 57.13 1gag s GLU 1001Cb -0.04 -3.42 -0.25 0.00 0.26 0.00 0.00 34.13 30.68 1gag s GLU 1001CO -0.01 -0.06 0.73 1.28 -0.54 0.00 0.00 175.26 176.66 1gag n LEU 1002N 3.75 0.53 0.00 2.70 4.77 0.17 -4.84 117.00 124.08 1gag n LEU 1002Ca 0.06 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1gag n LEU 1002Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1gag n LEU 1002CO 0.53 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1gag n GLY 1003N 1.38 0.02 3.05 -0.72 0.00 -1.12 -5.00 105.19 102.81 1gag n GLY 1003Ca 0.00 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 1gag n GLY 1003CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gag s GLN 1004N -1.95 2.10 0.54 1.61 0.74 -1.26 -1.87 119.66 119.57 1gag s GLN 1004Ca 0.00 -0.53 -0.00 0.00 0.05 0.00 0.00 55.36 54.88 1gag s GLN 1004Cb 0.00 -1.76 0.02 0.00 1.10 0.00 0.00 33.01 32.38 1gag s GLN 1004CO 0.00 -0.02 0.77 0.20 -0.55 0.00 0.00 175.29 175.69 1gag s GLY 1005N 0.85 1.72 0.58 2.59 0.00 -1.14 -4.96 107.32 106.95 1gag s GLY 1005Ca -0.10 -1.16 0.30 0.00 0.00 0.00 0.00 44.72 43.76 1gag s GLY 1005CO 0.01 -0.90 1.83 1.48 0.00 0.00 0.00 173.10 175.52 1gag h SER 1006N 0.10 0.00 0.00 1.64 4.64 -2.02 -3.16 113.55 114.74 1gag h SER 1006Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1gag h SER 1006Cb 1.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 1gag h SER 1006CO 0.55 0.00 -0.39 2.22 -0.87 0.00 0.00 176.83 178.34 1gag n PHE 1007N -3.79 0.00 -2.46 4.77 1.16 -1.26 -5.12 117.46 110.76 1gag n PHE 1007Ca 0.13 -0.11 0.00 0.00 -1.87 0.00 0.00 57.45 55.60 1gag n PHE 1007Cb 0.85 0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.80 1gag n PHE 1007CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1gag n GLY 1008N 0.06 3.89 3.03 4.97 0.00 -1.20 -2.35 105.19 113.59 1gag n GLY 1008Ca -0.02 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 1gag n GLY 1008CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gag s MET 1009N 0.88 0.25 -0.17 1.61 -1.94 -1.24 -2.90 119.30 115.79 1gag s MET 1009Ca 0.00 -0.04 -0.02 0.00 -1.71 0.00 0.00 55.69 53.93 1gag s MET 1009Cb 0.00 0.11 -0.01 0.00 2.01 0.00 0.00 34.83 36.94 1gag s MET 1009CO 0.00 -0.05 -0.10 0.08 -0.01 0.00 0.00 175.02 174.94 1gag s VAL 1010N -0.44 3.04 0.14 -6.03 1.01 -0.78 -0.96 120.40 116.38 1gag s VAL 1010Ca -0.05 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.40 1gag s VAL 1010Cb -0.03 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1gag s VAL 1010CO 0.00 0.48 -0.21 -0.31 0.00 0.00 0.00 175.10 175.07 1gag s TYR 1011N 0.95 2.43 -0.04 5.22 2.02 0.83 -0.66 117.35 128.10 1gag s TYR 1011Ca -0.02 -0.31 -0.07 0.00 -0.37 0.00 0.00 57.07 56.30 1gag s TYR 1011Cb -0.15 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 1gag s TYR 1011CO -0.01 0.41 0.23 -2.00 -1.57 0.00 0.00 175.55 172.61 1gag s GLU 1012N -2.30 3.55 0.13 -0.62 2.12 0.69 0.50 118.70 122.76 1gag s GLU 1012Ca 0.18 -0.08 -0.16 0.00 0.36 0.00 0.00 54.97 55.28 1gag s GLU 1012Cb -0.10 -3.13 0.06 0.00 0.26 0.00 0.00 34.13 31.22 1gag s GLU 1012CO 0.09 0.70 0.76 0.41 -0.54 0.00 0.00 175.26 176.68 1gag n GLY 1013N 1.46 0.76 3.34 -1.50 0.00 -0.04 -0.20 105.19 109.02 1gag n GLY 1013Ca -0.14 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 1gag n GLY 1013CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gag s ASN 1014N -2.79 2.94 -0.04 1.61 0.02 -0.55 0.36 114.94 116.48 1gag s ASN 1014Ca 0.17 -0.74 0.04 0.00 -1.02 0.00 0.00 52.86 51.30 1gag s ASN 1014Cb -0.02 -0.18 -0.00 0.00 0.02 0.00 0.00 41.25 41.07 1gag s ASN 1014CO 0.04 0.10 -0.15 0.00 0.02 0.00 0.00 177.10 177.11 1gag s ALA 1015N -1.24 1.39 -0.05 0.60 0.00 -0.54 -1.19 121.76 120.73 1gag s ALA 1015Ca 0.11 -0.60 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 1gag s ALA 1015Cb -0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1gag s ALA 1015CO 0.06 0.23 0.77 1.03 0.00 0.00 0.00 175.76 177.85 1gag s ARG 1016N 0.14 4.46 -0.52 0.00 0.52 0.17 -1.13 118.95 122.59 1gag s ARG 1016Ca -0.05 1.01 -0.31 0.00 -0.52 0.00 0.00 55.73 55.86 1gag s ARG 1016Cb -0.12 -3.45 0.05 0.00 0.52 0.00 0.00 34.95 31.95 1gag s ARG 1016CO 0.02 0.03 0.65 -0.25 0.02 0.00 0.00 175.30 175.77 1gag n ASP 1017N 3.84 -5.44 0.00 0.23 8.00 0.23 -4.84 116.55 118.58 1gag n ASP 1017Ca 0.01 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1gag n ASP 1017Cb 0.51 -1.75 0.00 0.00 -0.02 0.00 0.00 41.12 39.86 1gag n ASP 1017CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1gag n ILE 1018N -0.67 0.00 -4.14 0.53 -5.35 -1.26 -4.99 119.36 103.49 1gag n ILE 1018Ca -0.13 -0.35 -0.21 0.00 -0.27 0.00 0.00 62.75 61.79 1gag n ILE 1018Cb 0.68 0.97 -0.17 0.00 -1.74 0.00 0.00 39.64 39.38 1gag n ILE 1018CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1gag s ILE 1019N -0.79 0.62 0.01 7.28 1.01 -1.26 -5.05 121.20 123.03 1gag s ILE 1019Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1gag s ILE 1019Cb 0.00 -0.65 -0.08 0.00 0.01 0.00 0.00 42.46 41.74 1gag s ILE 1019CO 0.00 0.26 1.94 -0.54 0.00 0.00 0.00 174.94 176.60 1gag s LYS 1020N 1.10 4.10 0.00 2.79 1.02 -1.26 -1.68 119.74 125.81 1gag s LYS 1020Ca -0.08 2.53 0.00 0.00 0.02 0.00 0.00 55.97 58.44 1gag s LYS 1020Cb -0.14 -4.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 1gag s LYS 1020CO -0.01 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 173.84 1gag n GLY 1021N 4.55 2.86 3.26 -3.33 0.00 -1.26 -5.05 105.19 106.21 1gag n GLY 1021Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1gag n GLY 1021CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gag s GLU 1022N -0.51 3.24 0.08 1.61 2.02 -0.68 -5.00 118.70 119.46 1gag s GLU 1022Ca 0.00 -0.70 -0.18 0.00 0.02 0.00 0.00 54.97 54.10 1gag s GLU 1022Cb 0.00 -2.90 -0.10 0.00 0.10 0.00 0.00 34.13 31.23 1gag s GLU 1022CO 0.00 -0.22 1.47 0.00 0.02 0.00 0.00 175.26 176.53 1gag h ALA 1023N 8.06 0.32 -3.72 5.21 0.00 -1.95 -3.37 119.26 123.82 1gag h ALA 1023Ca -0.42 -0.26 -0.47 0.00 0.00 0.00 0.00 54.91 53.75 1gag h ALA 1023Cb 1.15 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.62 1gag h ALA 1023CO 0.61 0.12 -0.80 -1.83 0.00 0.00 0.00 179.25 177.35 1gag s GLU 1024N -4.75 1.00 -0.05 0.00 4.04 -1.26 0.76 118.70 118.44 1gag s GLU 1024Ca -0.14 -0.87 -0.00 0.00 0.04 0.00 0.00 54.97 54.00 1gag s GLU 1024Cb 0.07 -1.05 0.03 0.00 0.02 0.00 0.00 34.13 33.19 1gag s GLU 1024CO 0.76 0.26 -0.00 0.99 -1.84 0.00 0.00 175.26 175.42 1gag s THR 1025N -0.97 0.27 0.32 1.83 2.01 -0.29 -4.95 115.64 113.87 1gag s THR 1025Ca 0.02 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1gag s THR 1025Cb -0.09 -0.39 -0.10 0.00 0.01 0.00 0.00 72.50 71.93 1gag s THR 1025CO 0.02 0.20 1.39 -0.13 -0.69 0.00 0.00 174.62 175.41 1gag s ARG 1026N 1.41 4.27 0.18 4.92 0.52 -1.26 -1.46 118.95 127.52 1gag s ARG 1026Ca -0.04 2.33 -0.12 0.00 -0.52 0.00 0.00 55.73 57.38 1gag s ARG 1026Cb -0.13 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.28 1gag s ARG 1026CO -0.03 -0.34 0.36 0.14 0.02 0.00 0.00 175.30 175.46 1gag s VAL 1027N -0.80 0.05 -0.07 3.52 -7.23 0.16 -3.92 120.40 112.11 1gag s VAL 1027Ca 0.53 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 1gag s VAL 1027Cb -0.42 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1gag s VAL 1027CO 0.52 -0.23 -0.12 0.00 -0.31 0.00 0.00 175.10 174.96 1gag s ALA 1028N -3.94 2.73 -0.08 1.32 0.00 -0.72 -0.86 121.76 120.21 1gag s ALA 1028Ca 0.15 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1gag s ALA 1028Cb 0.02 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1gag s ALA 1028CO -0.00 0.50 -0.13 0.08 0.00 0.00 0.00 175.76 176.21 1gag s VAL 1029N -0.55 1.25 -0.17 0.00 1.01 0.18 -0.91 120.40 121.22 1gag s VAL 1029Ca 0.08 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1gag s VAL 1029Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1gag s VAL 1029CO 0.02 0.39 0.07 -0.54 0.00 0.00 0.00 175.10 175.03 1gag s LYS 1030N 0.84 3.83 0.54 2.72 1.02 -0.08 -0.12 119.74 128.48 1gag s LYS 1030Ca -0.11 -0.31 0.04 0.00 0.02 0.00 0.00 55.97 55.62 1gag s LYS 1030Cb -0.15 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1gag s LYS 1030CO 0.02 0.39 0.32 0.95 -0.92 0.00 0.00 175.35 176.11 1gag s THR 1031N 0.05 1.51 -0.08 2.17 -4.23 -0.14 -1.83 115.64 113.08 1gag s THR 1031Ca 0.06 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1gag s THR 1031Cb -0.12 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.64 1gag s THR 1031CO 0.01 0.00 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.39 1gag s VAL 1032N -2.80 0.44 0.25 2.29 1.01 -1.26 -3.62 120.40 116.71 1gag s VAL 1032Ca 0.27 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 1gag s VAL 1032Cb -0.02 -0.62 -0.14 0.00 0.00 0.00 0.00 36.38 35.61 1gag s VAL 1032CO 0.17 0.23 1.27 0.59 0.00 0.00 0.00 175.10 177.37 1gag n ASN 1033N 5.12 2.20 -0.33 3.32 3.02 -0.99 -4.84 115.26 122.76 1gag n ASN 1033Ca -0.08 1.16 0.22 0.00 -0.03 0.00 0.00 54.58 55.85 1gag n ASN 1033Cb 0.50 -1.36 0.49 0.00 -0.61 0.00 0.00 39.78 38.79 1gag n ASN 1033CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1gag h GLU 1034N 3.45 0.40 0.00 3.52 4.11 -2.00 0.56 114.58 124.63 1gag h GLU 1034Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1gag h GLU 1034Cb 1.30 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1gag h GLU 1034CO 0.70 0.27 0.00 -1.13 0.07 0.00 0.00 179.01 178.92 1gag n SER 1035N -4.69 0.00 -4.73 3.06 3.41 -1.26 -4.90 113.62 104.51 1gag n SER 1035Ca 0.26 -1.66 -0.42 0.00 -0.26 0.00 0.00 58.87 56.79 1gag n SER 1035Cb 0.88 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.81 1gag n SER 1035CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gag n ALA 1036N -0.66 2.24 -1.76 7.33 0.00 0.20 -4.97 120.51 122.88 1gag n ALA 1036Ca 0.08 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 1gag n ALA 1036Cb 0.04 -2.42 0.06 0.00 0.00 0.00 0.00 19.45 17.12 1gag n ALA 1036CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1gag s SER 1037N 0.39 5.16 0.14 0.00 1.04 -1.26 -4.82 113.70 114.35 1gag s SER 1037Ca 0.64 1.22 -0.19 0.00 0.48 0.00 0.00 55.95 58.10 1gag s SER 1037Cb -0.52 -2.00 0.03 0.00 0.10 0.00 0.00 66.02 63.62 1gag s SER 1037CO 0.50 -1.54 1.69 0.25 0.98 0.00 0.00 173.24 175.13 1gag h LEU 1038N -0.79 -0.26 -0.12 2.42 5.85 -1.98 0.30 115.31 120.73 1gag h LEU 1038Ca -0.46 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.39 1gag h LEU 1038Cb 1.25 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 1gag h LEU 1038CO 0.62 -0.09 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.36 1gag h ARG 1039N 0.00 -0.23 -0.54 1.25 2.43 -1.98 0.22 114.38 115.54 1gag h ARG 1039Ca 0.14 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1gag h ARG 1039Cb 0.21 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 1gag h ARG 1039CO -0.29 -0.15 0.26 0.93 -1.51 0.00 0.00 179.97 179.21 1gag h GLU 1040N -0.23 0.49 -0.08 0.20 5.08 -1.77 0.16 114.58 118.41 1gag h GLU 1040Ca 0.09 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1gag h GLU 1040Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1gag h GLU 1040CO -0.25 0.32 -0.23 0.00 -1.00 0.00 0.00 179.01 177.85 1gag h ARG 1041N 0.50 0.14 -0.18 2.33 3.08 -0.34 0.26 114.38 120.17 1gag h ARG 1041Ca 0.25 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.11 1gag h ARG 1041Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1gag h ARG 1041CO -0.19 0.36 -0.52 0.82 -1.07 0.00 0.00 179.97 179.37 1gag h ILE 1042N 0.13 1.32 -0.14 2.04 2.04 0.89 0.45 117.51 124.24 1gag h ILE 1042Ca 0.02 -1.77 -0.18 0.00 1.00 0.00 0.00 64.86 63.94 1gag h ILE 1042Cb 0.48 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1gag h ILE 1042CO 0.03 0.55 -0.65 -0.08 0.00 0.00 0.00 178.15 178.00 1gag h GLU 1043N 0.40 0.53 -0.19 2.37 4.81 -0.00 -2.71 114.58 119.79 1gag h GLU 1043Ca 0.01 -0.38 -0.09 0.00 -0.13 0.00 0.00 59.36 58.77 1gag h GLU 1043Cb 1.05 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1gag h GLU 1043CO 0.10 1.01 -0.26 0.35 -0.73 0.00 0.00 179.01 179.47 1gag h PHE 1044N 0.38 0.39 -0.36 0.92 3.57 -0.23 -2.13 116.94 119.48 1gag h PHE 1044Ca -0.02 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1gag h PHE 1044Cb 1.22 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1gag h PHE 1044CO 0.05 0.58 0.12 1.25 -2.23 0.00 0.00 178.31 178.08 1gag h LEU 1045N 0.31 0.52 -0.59 0.59 5.85 -0.68 -2.86 115.31 118.46 1gag h LEU 1045Ca 0.05 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 1gag h LEU 1045Cb 0.63 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1gag h LEU 1045CO 0.05 0.58 0.06 -1.13 -0.34 0.00 0.00 178.44 177.66 1gag h ASN 1046N 0.43 0.96 0.16 1.25 -1.24 -1.27 -2.07 115.58 113.80 1gag h ASN 1046Ca 0.12 -0.28 0.02 0.00 0.71 0.00 0.00 56.30 56.86 1gag h ASN 1046Cb 0.25 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.00 1gag h ASN 1046CO -0.00 1.00 -0.42 -0.08 -1.29 0.00 0.00 177.43 176.63 1gag h GLU 1047N 0.90 -0.66 -0.45 6.67 4.81 -1.32 -0.96 114.58 123.57 1gag h GLU 1047Ca 0.17 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1gag h GLU 1047Cb 0.47 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1gag h GLU 1047CO 0.02 -0.44 0.28 0.00 -0.73 0.00 0.00 179.01 178.14 1gag h ALA 1048N -0.24 0.58 -0.14 2.92 0.00 -1.46 -2.94 119.26 117.98 1gag h ALA 1048Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1gag h ALA 1048Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1gag h ALA 1048CO -0.22 -0.02 0.04 1.03 0.00 0.00 0.00 179.25 180.09 1gag h SER 1049N 0.57 0.20 -0.74 0.00 0.87 -1.06 -2.01 113.55 111.38 1gag h SER 1049Ca 0.18 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1gag h SER 1049Cb -0.02 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1gag h SER 1049CO -0.06 0.35 0.49 -0.37 -0.53 0.00 0.00 176.83 176.71 1gag h VAL 1050N 0.04 1.18 -0.59 2.23 -1.51 -1.22 -1.72 116.25 114.66 1gag h VAL 1050Ca 0.04 -0.34 -0.03 0.00 -1.23 0.00 0.00 66.70 65.14 1gag h VAL 1050Cb 0.22 0.10 -0.03 0.00 -2.13 0.00 0.00 31.29 29.45 1gag h VAL 1050CO -0.00 0.18 0.23 0.24 -1.23 0.00 0.00 177.57 176.99 1gag h MET 1051N 1.00 0.86 -1.10 5.19 2.07 -1.31 -2.79 114.93 118.85 1gag h MET 1051Ca 0.28 -0.13 0.30 0.00 -2.07 0.00 0.00 59.70 58.07 1gag h MET 1051Cb -0.10 -0.15 -0.08 0.00 -1.87 0.00 0.00 31.60 29.40 1gag h MET 1051CO -0.06 0.70 0.73 0.87 1.07 0.00 0.00 176.91 180.22 1gag h LYS 1052N 0.84 0.24 -0.13 1.72 1.57 -0.56 -0.63 116.57 119.64 1gag h LYS 1052Ca 0.20 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1gag h LYS 1052Cb 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1gag h LYS 1052CO -0.02 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.43 1gag n GLY 1053N -1.57 0.53 3.91 3.86 0.00 -1.05 -4.96 105.19 105.91 1gag n GLY 1053Ca 0.26 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1gag n GLY 1053CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gag s PHE 1054N -1.85 3.47 -0.40 1.61 0.08 -0.24 -5.06 117.98 115.59 1gag s PHE 1054Ca 0.34 0.52 0.07 0.00 0.12 0.00 0.00 56.93 57.99 1gag s PHE 1054Cb 0.20 -1.99 0.18 0.00 -0.57 0.00 0.00 43.02 40.84 1gag s PHE 1054CO 0.30 0.35 0.60 0.99 -0.10 0.00 0.00 175.22 177.35 1gag s THR 1055N -1.84 -0.92 -0.20 0.64 2.01 -1.26 -4.90 115.64 109.18 1gag s THR 1055Ca 0.41 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 1gag s THR 1055Cb -0.11 -0.16 0.07 0.00 0.01 0.00 0.00 72.50 72.30 1gag s THR 1055CO 0.27 -0.07 0.47 0.00 -0.69 0.00 0.00 174.62 174.60 1gag h HIS 1057N 7.15 0.00 -0.63 0.00 -0.00 -1.98 -1.15 115.15 118.55 1gag h HIS 1057Ca -0.34 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.84 1gag h HIS 1057Cb 1.19 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.49 1gag h HIS 1057CO 0.20 0.00 0.20 0.72 -0.00 0.00 0.00 177.93 179.05 1gag n HIS 1058N -3.68 2.09 -4.40 5.26 8.25 -1.26 -4.87 115.22 116.61 1gag n HIS 1058Ca 0.08 -1.21 -0.22 0.00 -0.26 0.00 0.00 57.72 56.11 1gag n HIS 1058Cb 0.65 -0.62 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 1gag n HIS 1058CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1gag s VAL 1059N -3.01 0.85 0.02 1.59 1.01 -0.44 -0.76 120.40 119.66 1gag s VAL 1059Ca 0.52 -0.33 -0.34 0.00 0.00 0.00 0.00 61.98 61.83 1gag s VAL 1059Cb 0.42 -0.80 -0.13 0.00 0.00 0.00 0.00 36.38 35.88 1gag s VAL 1059CO 0.11 0.29 1.74 0.52 0.00 0.00 0.00 175.10 177.76 1gag n VAL 1060N 3.79 0.32 -3.25 2.92 0.31 0.25 -4.71 118.33 117.94 1gag n VAL 1060Ca -0.23 -0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 63.66 1gag n VAL 1060Cb 0.52 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.70 1gag n VAL 1060CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1gag s ARG 1061N 2.64 4.29 0.15 5.55 3.52 -1.26 -4.95 118.95 128.89 1gag s ARG 1061Ca 0.87 0.64 -0.28 0.00 -0.13 0.00 0.00 55.73 56.83 1gag s ARG 1061Cb -0.70 -3.36 -0.07 0.00 -1.56 0.00 0.00 34.95 29.26 1gag s ARG 1061CO 0.46 0.33 0.86 -1.17 -0.81 0.00 0.00 175.30 174.97 1gag s LEU 1062N -0.02 4.56 -0.07 -0.88 2.96 -1.26 -1.05 118.68 122.92 1gag s LEU 1062Ca 0.29 1.73 0.06 0.00 -0.22 0.00 0.00 54.13 55.99 1gag s LEU 1062Cb -0.17 -3.44 -0.09 0.00 0.50 0.00 0.00 46.19 42.99 1gag s LEU 1062CO 0.15 0.10 0.01 0.18 -1.32 0.00 0.00 176.35 175.47 1gag n LEU 1063N 2.06 0.30 -3.84 -0.68 4.77 0.13 -4.91 117.00 114.83 1gag n LEU 1063Ca -0.02 -0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1gag n LEU 1063Cb 0.49 0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1gag n LEU 1063CO 0.49 0.23 1.08 -0.83 -1.33 0.00 0.00 177.39 177.02 1gag s GLY 1064N -3.99 -0.23 -0.06 -0.72 0.00 -0.83 -5.00 107.32 96.48 1gag s GLY 1064Ca -0.04 0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.94 1gag s GLY 1064CO 0.29 3.35 0.12 0.14 0.00 0.00 0.00 173.10 177.00 1gag s VAL 1065N -2.17 -0.15 -0.36 1.40 1.01 0.18 -1.19 120.40 119.12 1gag s VAL 1065Ca 0.23 0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 1gag s VAL 1065Cb 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.18 1gag s VAL 1065CO -0.02 0.12 0.22 -0.69 0.00 0.00 0.00 175.10 174.74 1gag s VAL 1066N 1.79 4.85 0.00 2.92 1.01 0.12 -1.27 120.40 129.82 1gag s VAL 1066Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1gag s VAL 1066Cb -0.12 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1gag s VAL 1066CO -0.05 -0.15 0.00 -1.54 0.00 0.00 0.00 175.10 173.36 1gag n SER 1067N 5.05 0.14 -4.55 3.32 3.41 -1.26 -0.06 113.62 119.65 1gag n SER 1067Ca -0.12 -0.36 -0.34 0.00 -0.26 0.00 0.00 58.87 57.80 1gag n SER 1067Cb 0.48 0.74 -0.04 0.00 -0.26 0.00 0.00 64.21 65.12 1gag n SER 1067CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1gag s LYS 1068N -0.76 2.66 0.00 4.33 1.02 -1.26 -4.68 119.74 121.05 1gag s LYS 1068Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1gag s LYS 1068Cb 0.00 -4.71 0.00 0.00 -0.52 0.00 0.00 37.83 32.60 1gag s LYS 1068CO 0.00 -2.96 0.00 0.41 -0.92 0.00 0.00 175.35 171.88 1gag n GLY 1069N 6.22 -1.41 3.24 -3.33 0.00 -1.26 -4.86 105.19 103.78 1gag n GLY 1069Ca 0.28 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 1gag n GLY 1069CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gag s GLN 1070N 0.00 0.99 0.50 1.61 -1.52 -1.26 -4.26 119.66 115.73 1gag s GLN 1070Ca 0.00 -1.08 -0.05 0.00 -1.95 0.00 0.00 55.36 52.28 1gag s GLN 1070Cb 0.00 -1.14 -0.03 0.00 -0.22 0.00 0.00 33.01 31.63 1gag s GLN 1070CO 0.00 0.26 0.80 -1.25 -0.25 0.00 0.00 175.29 174.85 1gag s PRO 1071N -1.88 3.41 0.44 2.91 0.04 -1.26 -5.09 135.00 133.57 1gag s PRO 1071Ca 0.03 0.13 -0.25 0.00 0.04 0.00 0.00 61.00 60.95 1gag s PRO 1071Cb -0.10 -2.37 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 1gag s PRO 1071CO 0.03 -0.30 1.34 0.99 0.04 0.00 0.00 177.00 179.11 1gag s THR 1072N -2.78 2.39 -0.08 1.26 2.01 -1.26 -4.90 115.64 112.29 1gag s THR 1072Ca 0.49 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.85 1gag s THR 1072Cb -0.10 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.22 1gag s THR 1072CO 0.45 0.04 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.49 1gag s LEU 1073N -2.72 1.83 -0.26 4.42 1.43 0.91 -4.35 118.68 119.93 1gag s LEU 1073Ca 0.61 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 1gag s LEU 1073Cb -0.40 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1gag s LEU 1073CO 0.50 0.09 0.06 -0.69 0.23 0.00 0.00 176.35 176.54 1gag s VAL 1074N 0.50 4.03 -0.24 -1.59 1.01 -0.76 0.13 120.40 123.47 1gag s VAL 1074Ca -0.15 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1gag s VAL 1074Cb -0.16 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1gag s VAL 1074CO 0.06 0.25 0.09 -0.69 0.00 0.00 0.00 175.10 174.80 1gag s VAL 1075N 1.55 4.61 0.40 2.92 1.01 -0.34 -0.90 120.40 129.65 1gag s VAL 1075Ca 0.05 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.01 1gag s VAL 1075Cb -0.16 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 1gag s VAL 1075CO 0.02 0.34 0.03 -0.04 0.00 0.00 0.00 175.10 175.45 1gag s MET 1076N 1.42 1.90 0.34 2.72 -1.94 -0.09 0.19 119.30 123.83 1gag s MET 1076Ca 0.06 -2.09 -0.28 0.00 -1.71 0.00 0.00 55.69 51.67 1gag s MET 1076Cb -0.15 -1.35 -0.09 0.00 2.01 0.00 0.00 34.83 35.25 1gag s MET 1076CO 0.05 -0.15 1.17 -1.83 -0.01 0.00 0.00 175.02 174.25 1gag s GLU 1077N -3.78 4.37 -0.00 2.03 -1.05 -0.22 -1.75 118.70 118.29 1gag s GLU 1077Ca 0.31 1.90 -0.30 0.00 -0.15 0.00 0.00 54.97 56.74 1gag s GLU 1077Cb 0.08 -2.97 -0.03 0.00 -0.44 0.00 0.00 34.13 30.77 1gag s GLU 1077CO 0.15 -0.07 1.06 -1.17 0.95 0.00 0.00 175.26 176.18 1gag s LEU 1078N -1.91 4.35 -0.97 1.83 2.96 -1.25 -4.36 118.68 119.32 1gag s LEU 1078Ca 0.50 1.75 -0.04 0.00 -0.22 0.00 0.00 54.13 56.12 1gag s LEU 1078Cb -0.33 -3.57 0.24 0.00 0.50 0.00 0.00 46.19 43.04 1gag s LEU 1078CO 0.43 -0.37 0.92 0.23 -1.32 0.00 0.00 176.35 176.25 1gag n MET 1079N 4.16 3.01 0.00 1.98 2.81 -1.26 -4.78 117.12 123.04 1gag n MET 1079Ca 0.08 -4.49 0.00 0.00 -1.81 0.00 0.00 57.70 51.48 1gag n MET 1079Cb 0.49 -2.45 0.00 0.00 -0.71 0.00 0.00 33.22 30.55 1gag n MET 1079CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gag n ALA 1080N 2.28 0.00 0.67 3.04 0.00 -1.24 0.21 120.51 125.47 1gag n ALA 1080Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.71 1gag n ALA 1080Cb 0.37 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.97 1gag n ALA 1080CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1gag n HIS 1081N -3.97 0.61 -4.68 0.00 8.25 -0.75 -4.96 115.22 109.71 1gag n HIS 1081Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1gag n HIS 1081Cb 0.00 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1gag n HIS 1081CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gag n GLY 1082N 0.61 0.45 3.82 -1.41 0.00 0.13 -4.48 105.19 104.31 1gag n GLY 1082Ca 0.10 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1gag n GLY 1082CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gag s ASP 1083N -4.00 6.78 0.29 1.61 -4.77 -1.26 0.43 116.67 115.75 1gag s ASP 1083Ca 0.00 1.71 0.00 0.00 -3.30 0.00 0.00 52.55 50.96 1gag s ASP 1083Cb 0.00 -2.54 0.51 0.00 -1.09 0.00 0.00 42.92 39.80 1gag s ASP 1083CO 0.00 -0.47 1.89 0.25 0.70 0.00 0.00 175.17 177.54 1gag h LEU 1084N 1.68 0.94 0.07 2.11 5.85 0.55 -0.79 115.31 125.72 1gag h LEU 1084Ca -0.49 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1gag h LEU 1084Cb 1.19 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1gag h LEU 1084CO 0.61 0.59 -0.03 0.50 -0.34 0.00 0.00 178.44 179.76 1gag h LYS 1085N 1.06 -0.09 0.30 1.25 3.64 -1.80 0.35 116.57 121.28 1gag h LYS 1085Ca 0.42 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1gag h LYS 1085Cb 0.24 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1gag h LYS 1085CO -0.17 -0.00 -0.20 0.77 -2.27 0.00 0.00 179.45 177.58 1gag h SER 1086N -0.16 -0.50 -0.14 4.20 0.02 -1.84 -1.47 113.55 113.65 1gag h SER 1086Ca -0.01 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1gag h SER 1086Cb 0.13 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1gag h SER 1086CO 0.02 -0.31 -0.28 0.22 -1.14 0.00 0.00 176.83 175.33 1gag h TYR 1087N -0.49 -0.76 -0.60 3.45 3.20 -1.00 -1.10 116.97 119.67 1gag h TYR 1087Ca -0.03 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1gag h TYR 1087Cb 0.41 0.35 -0.08 0.00 1.54 0.00 0.00 36.73 38.96 1gag h TYR 1087CO -0.10 -0.36 0.16 -0.07 -1.64 0.00 0.00 178.16 176.15 1gag h LEU 1088N -0.34 0.07 -1.45 2.82 3.38 -0.18 -1.44 115.31 118.17 1gag h LEU 1088Ca 0.10 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1gag h LEU 1088Cb 0.50 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1gag h LEU 1088CO -0.34 0.04 0.10 0.03 0.09 0.00 0.00 178.44 178.37 1gag h ARG 1089N 0.30 0.47 0.00 1.13 3.08 -0.23 -2.17 114.38 116.96 1gag h ARG 1089Ca 0.31 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1gag h ARG 1089Cb 0.44 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1gag h ARG 1089CO -0.37 0.42 -0.12 0.66 -1.07 0.00 0.00 179.97 179.49 1gag h SER 1090N 0.47 0.00 0.89 7.04 4.64 -0.12 -2.75 113.55 123.72 1gag h SER 1090Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1gag h SER 1090Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1gag h SER 1090CO -0.01 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.25 1gag n LEU 1091N -3.32 0.00 -4.70 5.97 4.77 -0.81 -3.20 117.00 115.71 1gag n LEU 1091Ca -0.00 0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 56.05 1gag n LEU 1091Cb 0.33 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1gag n LEU 1091CO 0.30 -0.04 0.87 0.54 -1.33 0.00 0.00 177.39 177.72 1gag n ARG 1092N -1.49 1.90 0.21 3.23 1.74 -1.04 -4.20 116.66 117.01 1gag n ARG 1092Ca 0.07 0.67 0.06 0.00 -0.77 0.00 0.00 57.85 57.88 1gag n ARG 1092Cb 0.31 -2.36 0.54 0.00 -1.02 0.00 0.00 32.46 29.92 1gag n ARG 1092CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1gag h PRO 1093N 2.06 0.07 -0.01 5.56 0.13 -1.91 -2.56 132.00 135.33 1gag h PRO 1093Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1gag h PRO 1093Cb 1.30 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1gag h PRO 1093CO 0.60 0.14 -0.19 0.39 -0.23 0.00 0.00 178.00 178.71 1gag n GLU 1094N -4.42 0.88 -1.67 0.86 4.71 -1.26 -4.95 120.64 114.79 1gag n GLU 1094Ca -0.02 -0.47 -0.46 0.00 -0.01 0.00 0.00 57.16 56.20 1gag n GLU 1094Cb 0.17 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.07 1gag n GLU 1094CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1gag n ALA 1095N -0.65 1.38 0.26 0.62 0.00 -0.97 -4.84 120.51 116.32 1gag n ALA 1095Ca 0.13 0.42 0.03 0.00 0.00 0.00 0.00 53.44 54.03 1gag n ALA 1095Cb 0.33 -2.38 0.14 0.00 0.00 0.00 0.00 19.45 17.54 1gag n ALA 1095CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gag n GLU 1096N 3.84 0.08 -0.38 0.00 4.71 -1.26 -2.10 120.64 125.53 1gag n GLU 1096Ca 0.18 0.22 0.04 0.00 -0.01 0.00 0.00 57.16 57.58 1gag n GLU 1096Cb 0.29 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.28 1gag n GLU 1096CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1gag n ASN 1097N -1.27 0.89 -4.62 1.62 6.94 -1.26 -5.07 115.26 112.49 1gag n ASN 1097Ca 0.03 -2.42 -0.50 0.00 -0.02 0.00 0.00 54.58 51.67 1gag n ASN 1097Cb 0.04 -0.29 -0.05 0.00 -2.36 0.00 0.00 39.78 37.12 1gag n ASN 1097CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1gag n ASN 1098N -0.51 2.10 0.00 0.53 2.85 -0.89 -4.84 115.26 114.49 1gag n ASN 1098Ca 0.06 1.11 0.12 0.00 -0.11 0.00 0.00 54.58 55.76 1gag n ASN 1098Cb 0.69 -1.26 0.68 0.00 1.24 0.00 0.00 39.78 41.13 1gag n ASN 1098CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1gag n PRO 1099N 2.86 0.59 -0.31 1.20 -0.04 -1.26 -4.88 135.00 133.16 1gag n PRO 1099Ca 0.18 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1gag n PRO 1099Cb 0.22 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1gag n PRO 1099CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gag n GLY 1100N 0.65 1.68 3.26 0.55 0.00 -1.26 -5.11 105.19 104.96 1gag n GLY 1100Ca 0.16 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1gag n GLY 1100CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gag s ARG 1101N -1.39 0.56 0.73 1.61 1.70 -1.26 -5.16 118.95 115.74 1gag s ARG 1101Ca 0.00 0.19 -0.16 0.00 -0.47 0.00 0.00 55.73 55.29 1gag s ARG 1101Cb 0.00 0.26 -0.02 0.00 -0.57 0.00 0.00 34.95 34.62 1gag s ARG 1101CO 0.00 -0.12 0.64 -2.30 -1.08 0.00 0.00 175.30 172.44 1gag n PRO 1102N 2.09 0.31 -0.66 3.89 -0.02 -1.26 -4.89 135.00 134.46 1gag n PRO 1102Ca -0.17 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.15 1gag n PRO 1102Cb 0.57 -1.93 0.18 0.00 -0.02 0.00 0.00 33.50 32.29 1gag n PRO 1102CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1gag n PRO 1103N -1.09 -0.98 -1.63 0.52 -0.02 -1.26 -4.83 135.00 125.71 1gag n PRO 1103Ca 0.11 -0.24 -0.46 0.00 -2.02 0.00 0.00 63.50 60.88 1gag n PRO 1103Cb 0.50 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1gag n PRO 1103CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1gag n PRO 1104N -3.57 1.65 -2.31 0.52 -0.02 -1.26 -4.98 135.00 125.03 1gag n PRO 1104Ca 0.08 0.59 -0.27 0.00 -2.02 0.00 0.00 63.50 61.87 1gag n PRO 1104Cb 0.54 -2.17 0.04 0.00 -0.02 0.00 0.00 33.50 31.89 1gag n PRO 1104CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gag s THR 1105N -0.17 3.52 0.21 3.45 -4.23 -1.26 -4.82 115.64 112.34 1gag s THR 1105Ca 0.70 0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 61.12 1gag s THR 1105Cb -0.73 -3.42 0.22 0.00 1.34 0.00 0.00 72.50 69.91 1gag s THR 1105CO 0.51 -0.45 1.64 0.25 -0.54 0.00 0.00 174.62 176.03 1gag h LEU 1106N -0.27 -0.51 -0.62 4.79 6.46 -1.99 0.28 115.31 123.44 1gag h LEU 1106Ca -0.45 0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1gag h LEU 1106Cb 1.26 0.36 -0.03 0.00 -0.73 0.00 0.00 40.66 41.52 1gag h LEU 1106CO 0.61 -0.19 0.38 -0.61 -0.62 0.00 0.00 178.44 178.01 1gag h GLN 1107N 0.02 0.84 0.00 1.25 4.15 -1.96 -1.03 115.11 118.37 1gag h GLN 1107Ca 0.30 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.61 1gag h GLN 1107Cb 0.46 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1gag h GLN 1107CO -0.61 0.59 -0.18 0.93 -1.93 0.00 0.00 178.83 177.63 1gag h GLU 1108N 0.84 0.00 0.08 1.69 5.08 -1.44 -1.64 114.58 119.18 1gag h GLU 1108Ca 0.22 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.35 1gag h GLU 1108Cb -0.04 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.24 1gag h GLU 1108CO -0.04 0.18 -0.97 0.52 -1.00 0.00 0.00 179.01 177.70 1gag h MET 1109N 0.00 0.52 -0.79 2.33 2.86 0.26 -2.51 114.93 117.60 1gag h MET 1109Ca -0.00 -0.66 -0.03 0.00 -2.06 0.00 0.00 59.70 56.95 1gag h MET 1109Cb 0.56 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 1gag h MET 1109CO 0.02 1.27 0.38 0.82 1.06 0.00 0.00 176.91 180.47 1gag h ILE 1110N 0.06 1.25 -0.20 -1.22 1.08 -0.97 0.05 117.51 117.56 1gag h ILE 1110Ca -0.14 -0.71 0.03 0.00 -0.39 0.00 0.00 64.86 63.65 1gag h ILE 1110Cb 1.67 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.65 1gag h ILE 1110CO 0.19 0.30 0.03 -0.61 -0.69 0.00 0.00 178.15 177.36 1gag h GLN 1111N 1.12 0.10 0.23 2.37 5.75 -1.33 0.56 115.11 123.92 1gag h GLN 1111Ca 0.27 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1gag h GLN 1111Cb 0.12 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1gag h GLN 1111CO -0.03 0.07 -0.17 0.52 -2.65 0.00 0.00 178.83 176.57 1gag h MET 1112N 0.10 -0.38 -0.69 1.69 2.86 -1.03 0.11 114.93 117.60 1gag h MET 1112Ca 0.09 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 1gag h MET 1112Cb 0.09 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.76 1gag h MET 1112CO -0.13 -0.25 0.30 0.00 1.06 0.00 0.00 176.91 177.89 1gag h ALA 1113N 0.35 0.93 -0.75 6.32 0.00 -0.59 0.48 119.26 126.00 1gag h ALA 1113Ca -0.01 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1gag h ALA 1113Cb 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1gag h ALA 1113CO -0.00 -0.13 0.33 0.00 0.00 0.00 0.00 179.25 179.45 1gag h ALA 1114N 1.45 1.16 -0.08 0.00 0.00 0.70 -0.40 119.26 122.09 1gag h ALA 1114Ca 0.35 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1gag h ALA 1114Cb 0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gag h ALA 1114CO -0.31 0.62 -0.78 0.93 0.00 0.00 0.00 179.25 179.71 1gag h GLU 1115N 1.08 0.48 -0.34 0.00 5.08 0.49 -1.73 114.58 119.64 1gag h GLU 1115Ca 0.26 -0.42 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1gag h GLU 1115Cb 0.16 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1gag h GLU 1115CO -0.03 1.05 -0.28 0.82 -1.00 0.00 0.00 179.01 179.58 1gag h ILE 1116N 0.32 1.29 -0.59 3.13 2.04 -0.82 -2.42 117.51 120.46 1gag h ILE 1116Ca -0.04 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.36 1gag h ILE 1116Cb 1.38 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 1gag h ILE 1116CO 0.14 0.47 0.31 0.00 0.00 0.00 0.00 178.15 179.07 1gag h ALA 1117N 0.75 0.76 0.59 1.87 0.00 -1.04 -1.41 119.26 120.79 1gag h ALA 1117Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1gag h ALA 1117Cb 0.85 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1gag h ALA 1117CO 0.07 0.30 -0.28 0.22 0.00 0.00 0.00 179.25 179.55 1gag h ASP 1118N 0.80 -0.67 -0.32 0.00 3.58 -1.24 0.17 116.42 118.73 1gag h ASP 1118Ca 0.21 0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.75 1gag h ASP 1118Cb 0.07 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.23 1gag h ASP 1118CO -0.03 -0.48 -0.13 1.23 -2.88 0.00 0.00 179.24 176.95 1gag h GLY 1119N -0.79 0.16 1.00 -0.78 0.00 -1.38 -0.30 103.07 100.98 1gag h GLY 1119Ca -0.08 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1gag h GLY 1119CO 0.13 -0.15 0.59 -0.33 0.00 0.00 0.00 176.54 176.78 1gag h MET 1120N -0.07 1.10 -0.67 4.80 2.86 -1.08 -0.90 114.93 120.98 1gag h MET 1120Ca 0.16 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1gag h MET 1120Cb 0.31 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1gag h MET 1120CO -0.37 0.73 0.28 0.00 1.06 0.00 0.00 176.91 178.61 1gag h ALA 1121N 1.47 0.86 -0.40 6.32 0.00 0.64 0.51 119.26 128.67 1gag h ALA 1121Ca 0.36 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1gag h ALA 1121Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1gag h ALA 1121CO -0.10 0.46 0.25 -0.92 0.00 0.00 0.00 179.25 178.94 1gag h TYR 1122N 0.93 0.47 -0.77 0.00 3.20 -0.27 0.14 116.97 120.68 1gag h TYR 1122Ca 0.22 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.16 1gag h TYR 1122Cb 0.18 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 1gag h TYR 1122CO 0.01 0.29 0.47 1.25 -1.64 0.00 0.00 178.16 178.53 1gag h LEU 1123N 0.51 0.73 -0.67 2.82 5.85 -0.63 -0.63 115.31 123.29 1gag h LEU 1123Ca 0.15 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 1gag h LEU 1123Cb -0.03 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1gag h LEU 1123CO -0.05 0.48 -0.25 -1.13 -0.34 0.00 0.00 178.44 177.14 1gag h ASN 1124N 0.86 0.79 -0.16 1.25 -0.73 -0.11 -1.96 115.58 115.52 1gag h ASN 1124Ca 0.33 -0.29 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 1gag h ASN 1124Cb 0.14 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1gag h ASN 1124CO -0.16 1.00 0.09 0.00 -0.37 0.00 0.00 177.43 177.99 1gag h ALA 1125N 1.05 0.20 0.00 1.57 0.00 0.17 0.14 119.26 122.40 1gag h ALA 1125Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gag h ALA 1125Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1gag h ALA 1125CO 0.06 -0.27 0.00 1.63 0.00 0.00 0.00 179.25 180.67 1gag n LYS 1126N -4.94 0.03 -2.34 0.00 4.76 -0.33 -4.83 118.16 110.51 1gag n LYS 1126Ca -0.04 0.34 -0.05 0.00 -2.87 0.00 0.00 58.31 55.68 1gag n LYS 1126Cb 0.06 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.78 1gag n LYS 1126CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1gag n LYS 1127N -1.38 -1.69 -4.31 1.97 4.76 0.04 -4.97 118.16 112.58 1gag n LYS 1127Ca 0.01 0.27 -0.19 0.00 -2.87 0.00 0.00 58.31 55.53 1gag n LYS 1127Cb 0.03 -3.36 -0.15 0.00 -1.84 0.00 0.00 35.03 29.71 1gag n LYS 1127CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1gag s PHE 1128N -3.12 0.81 -0.21 2.13 0.08 -0.77 -1.61 117.98 115.30 1gag s PHE 1128Ca 0.04 -0.19 -0.08 0.00 0.12 0.00 0.00 56.93 56.82 1gag s PHE 1128Cb -0.01 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 1gag s PHE 1128CO 0.23 -0.09 0.08 0.54 -0.10 0.00 0.00 175.22 175.88 1gag s VAL 1129N 0.23 4.72 0.01 -0.44 0.11 0.37 -4.08 120.40 121.32 1gag s VAL 1129Ca -0.03 -0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 58.74 1gag s VAL 1129Cb -0.08 -3.16 -0.18 0.00 -1.53 0.00 0.00 36.38 31.43 1gag s VAL 1129CO 0.00 0.40 1.27 -0.74 -3.33 0.00 0.00 175.10 172.70 1gag h HIS 1130N 7.29 0.29 0.00 1.54 2.76 -1.88 0.93 115.15 126.08 1gag h HIS 1130Ca -0.37 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1gag h HIS 1130Cb 1.17 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1gag h HIS 1130CO 0.61 0.72 0.00 0.54 -1.30 0.00 0.00 177.93 178.50 1gag n ARG 1131N -4.62 0.00 -2.86 5.26 1.74 -1.26 -2.75 116.66 112.18 1gag n ARG 1131Ca -0.07 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.89 1gag n ARG 1131Cb 0.36 -2.47 0.02 0.00 -1.02 0.00 0.00 32.46 29.36 1gag n ARG 1131CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1gag n ASP 1132N 0.00 0.66 -4.61 0.55 2.03 -1.26 -4.87 116.55 109.05 1gag n ASP 1132Ca 0.00 -2.86 -0.42 0.00 0.52 0.00 0.00 54.79 52.03 1gag n ASP 1132Cb 0.00 -0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 40.10 1gag n ASP 1132CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1gag s LEU 1133N -2.83 4.09 0.23 -2.67 2.96 -1.26 -4.80 118.68 114.41 1gag s LEU 1133Ca 0.31 0.64 -0.18 0.00 -0.22 0.00 0.00 54.13 54.68 1gag s LEU 1133Cb 0.40 -3.07 0.02 0.00 0.50 0.00 0.00 46.19 44.05 1gag s LEU 1133CO -0.02 -0.62 0.58 0.00 -1.32 0.00 0.00 176.35 174.97 1gag s ALA 1134N 2.95 -0.90 0.21 5.97 0.00 -1.26 -4.68 121.76 124.06 1gag s ALA 1134Ca 0.32 -0.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 1gag s ALA 1134Cb -0.14 0.90 0.26 0.00 0.00 0.00 0.00 23.12 24.14 1gag s ALA 1134CO 0.13 -0.89 1.79 0.00 0.00 0.00 0.00 175.76 176.79 1gag h ALA 1135N 2.14 0.88 -0.28 0.00 0.00 -1.93 -1.15 119.26 118.92 1gag h ALA 1135Ca -0.25 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1gag h ALA 1135Cb 1.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1gag h ALA 1135CO 0.32 -0.01 0.28 0.07 0.00 0.00 0.00 179.25 179.91 1gag h ARG 1136N 0.62 0.00 -0.71 0.00 0.11 -1.93 -0.45 114.38 112.02 1gag h ARG 1136Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 1gag h ARG 1136Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1gag h ARG 1136CO -0.21 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.95 1gag n ASN 1137N -3.87 3.89 -4.54 0.08 4.13 -0.45 -4.73 115.26 109.77 1gag n ASN 1137Ca 0.04 -2.00 -0.34 0.00 1.68 0.00 0.00 54.58 53.96 1gag n ASN 1137Cb 0.43 -0.47 -0.12 0.00 -1.54 0.00 0.00 39.78 38.08 1gag n ASN 1137CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gag s MET 1139N -0.49 2.82 -0.12 0.00 -1.94 -0.41 0.80 119.30 119.96 1gag s MET 1139Ca 0.07 -1.07 0.02 0.00 -1.71 0.00 0.00 55.69 53.00 1gag s MET 1139Cb -0.12 -2.52 0.02 0.00 2.01 0.00 0.00 34.83 34.22 1gag s MET 1139CO 0.02 0.41 -0.16 0.08 -0.01 0.00 0.00 175.02 175.37 1gag s VAL 1140N -2.07 1.56 0.87 -6.03 1.01 0.17 -1.82 120.40 114.10 1gag s VAL 1140Ca 0.32 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1gag s VAL 1140Cb -0.08 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 34.99 1gag s VAL 1140CO 0.24 0.45 1.21 0.00 0.00 0.00 0.00 175.10 177.00 1gag s ALA 1141N 1.06 2.39 0.44 5.51 0.00 -0.26 -1.81 121.76 129.09 1gag s ALA 1141Ca -0.05 -0.79 0.12 0.00 0.00 0.00 0.00 51.96 51.24 1gag s ALA 1141Cb -0.15 -2.92 0.97 0.00 0.00 0.00 0.00 23.12 21.03 1gag s ALA 1141CO -0.03 -2.00 2.02 1.12 0.00 0.00 0.00 175.76 176.86 1gag h HIS 1142N -1.30 0.16 -0.34 0.00 2.07 -1.88 0.86 115.15 114.72 1gag h HIS 1142Ca -0.46 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1gag h HIS 1142Cb 1.30 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1gag h HIS 1142CO -0.15 0.22 0.00 -0.40 -3.07 0.00 0.00 177.93 174.53 1gag n ASP 1143N -4.38 2.26 -0.05 3.10 5.75 -1.26 -4.93 116.55 117.04 1gag n ASP 1143Ca -0.01 -1.90 -0.01 0.00 -0.01 0.00 0.00 54.79 52.86 1gag n ASP 1143Cb 0.19 -0.22 -0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1gag n ASP 1143CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1gag n PHE 1144N 0.72 0.00 -2.54 2.11 3.72 0.30 -5.02 117.46 116.75 1gag n PHE 1144Ca 0.16 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.15 1gag n PHE 1144Cb 0.39 -0.42 -0.04 0.00 -0.94 0.00 0.00 39.48 38.47 1gag n PHE 1144CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1gag s THR 1145N -1.90 4.08 -0.01 4.37 2.01 -1.26 -4.65 115.64 118.28 1gag s THR 1145Ca 0.00 1.68 -0.13 0.00 0.31 0.00 0.00 61.69 63.55 1gag s THR 1145Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1gag s THR 1145CO 0.00 0.23 0.36 -0.69 -0.69 0.00 0.00 174.62 173.83 1gag s VAL 1146N 0.21 5.12 0.02 3.82 1.01 -1.26 -1.10 120.40 128.22 1gag s VAL 1146Ca 0.51 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1gag s VAL 1146Cb -0.28 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1gag s VAL 1146CO 0.32 0.55 -0.04 -0.54 0.00 0.00 0.00 175.10 175.39 1gag s LYS 1147N -1.18 0.35 0.30 2.72 1.02 -0.75 -4.52 119.74 117.67 1gag s LYS 1147Ca 0.23 -0.66 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 1gag s LYS 1147Cb -0.16 0.06 -0.09 0.00 -0.52 0.00 0.00 37.83 37.12 1gag s LYS 1147CO 0.12 -0.04 1.08 0.42 -0.92 0.00 0.00 175.35 176.01 1gag s ILE 1148N -1.56 3.58 0.00 2.17 -1.09 0.06 -1.29 121.20 123.07 1gag s ILE 1148Ca -0.14 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 1gag s ILE 1148Cb -0.09 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1gag s ILE 1148CO -0.01 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1gag n GLY 1149N 1.08 4.82 3.15 6.18 0.00 -0.64 -0.59 105.19 119.21 1gag n GLY 1149Ca -0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 1gag n GLY 1149CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gag n ASP 1150N -0.98 -6.24 -1.99 1.61 -0.08 -1.26 -4.85 116.55 102.76 1gag n ASP 1150Ca 0.00 0.32 -0.23 0.00 -1.51 0.00 0.00 54.79 53.37 1gag n ASP 1150Cb 0.00 -1.53 0.13 0.00 2.34 0.00 0.00 41.12 42.07 1gag n ASP 1150CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1gag n PHE 1151N 1.09 2.63 -0.08 -0.67 3.72 -1.26 -4.64 117.46 118.24 1gag n PHE 1151Ca -0.01 -2.23 -0.08 0.00 -0.05 0.00 0.00 57.45 55.08 1gag n PHE 1151Cb 0.51 -0.94 0.09 0.00 -0.94 0.00 0.00 39.48 38.20 1gag n PHE 1151CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1gag h GLY 1152N 1.47 0.82 -0.32 1.37 0.00 -1.89 -3.15 103.07 101.38 1gag h GLY 1152Ca 0.50 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1gag h GLY 1152CO 1.06 0.66 -0.18 1.03 0.00 0.00 0.00 176.54 179.10 1gag n MET 1153N -4.10 1.27 -1.63 4.80 2.81 -1.26 -4.58 117.12 114.43 1gag n MET 1153Ca -0.00 -0.82 -0.39 0.00 -1.81 0.00 0.00 57.70 54.67 1gag n MET 1153Cb 0.45 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.51 1gag n MET 1153CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1gag n THR 1154N -0.15 3.27 -3.83 2.03 -1.04 -1.11 -4.64 114.28 108.83 1gag n THR 1154Ca 0.14 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.53 1gag n THR 1154Cb 0.39 -1.21 -0.11 0.00 -1.82 0.00 0.00 70.33 67.57 1gag n THR 1154CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1gag s ARG 1155N -2.53 0.31 0.00 -2.82 1.81 0.32 -4.98 118.95 111.07 1gag s ARG 1155Ca 0.71 0.04 -0.30 0.00 -1.72 0.00 0.00 55.73 54.46 1gag s ARG 1155Cb -0.46 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.15 1gag s ARG 1155CO 0.51 -0.06 1.08 0.34 -0.68 0.00 0.00 175.30 176.49 1gag s ASP 1156N -0.39 7.22 -0.38 0.23 -1.08 -1.26 -0.48 116.67 120.52 1gag s ASP 1156Ca -0.05 1.78 0.02 0.00 -0.52 0.00 0.00 52.55 53.79 1gag s ASP 1156Cb -0.03 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 38.97 1gag s ASP 1156CO 0.01 -0.39 0.14 0.27 0.52 0.00 0.00 175.17 175.72 1gag s ILE 1157N 1.28 1.71 0.00 4.11 -4.36 -0.64 -4.92 121.20 118.38 1gag s ILE 1157Ca 0.54 -2.28 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 1gag s ILE 1157Cb -0.24 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.23 1gag s ILE 1157CO 0.27 -0.73 0.00 -0.62 0.24 0.00 0.00 174.94 174.10 1gag n GLU 1159N 4.07 0.00 0.00 0.37 -0.58 -1.26 0.21 120.64 123.44 1gag n GLU 1159Ca 0.04 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.79 1gag n GLU 1159Cb 0.39 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.25 1gag n GLU 1159CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1gag n THR 1160N 0.00 0.00 -1.25 2.62 -2.24 -1.26 -5.32 114.28 106.83 1gag n THR 1160Ca 0.00 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1gag n THR 1160Cb 0.00 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.22 1gag n THR 1160CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gag n ASP 1161N -0.71 -4.71 -3.15 3.42 8.00 0.55 -5.19 116.55 114.76 1gag n ASP 1161Ca 0.01 0.21 0.05 0.00 0.71 0.00 0.00 54.79 55.77 1gag n ASP 1161Cb 0.06 -2.96 -0.01 0.00 -0.02 0.00 0.00 41.12 38.19 1gag n ASP 1161CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1gag s ARG 1164N -2.46 0.28 0.42 -1.24 3.52 -1.26 -4.62 118.95 113.59 1gag s ARG 1164Ca 0.00 0.50 -0.26 0.00 -0.13 0.00 0.00 55.73 55.84 1gag s ARG 1164Cb 0.00 0.28 -0.09 0.00 -1.56 0.00 0.00 34.95 33.58 1gag s ARG 1164CO 0.00 -0.31 1.40 0.21 -0.81 0.00 0.00 175.30 175.79 1gag s LYS 1165N 2.93 3.88 0.00 5.12 2.20 -0.05 -4.99 119.74 128.82 1gag s LYS 1165Ca 0.04 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 1gag s LYS 1165Cb -0.11 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1gag s LYS 1165CO -0.13 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 1gag n GLY 1166N 0.59 1.41 0.00 5.54 0.00 -1.26 -4.90 105.19 106.57 1gag n GLY 1166Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1gag n GLY 1166CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gag n GLY 1167N 3.28 -0.44 3.86 -0.02 0.00 -1.26 -5.04 105.19 105.57 1gag n GLY 1167Ca 0.00 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 1gag n GLY 1167CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gag s LYS 1168N 0.00 3.83 -0.27 1.61 -2.85 -1.26 -5.08 119.74 115.72 1gag s LYS 1168Ca 0.00 0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 55.48 1gag s LYS 1168Cb 0.00 -2.17 0.18 0.00 -2.06 0.00 0.00 37.83 33.78 1gag s LYS 1168CO 0.00 -0.31 1.32 0.20 0.10 0.00 0.00 175.35 176.67 1gag s GLY 1169N -3.38 0.02 -0.31 0.59 0.00 -1.26 -5.11 107.32 97.86 1gag s GLY 1169Ca 0.56 2.64 -0.28 0.00 0.00 0.00 0.00 44.72 47.64 1gag s GLY 1169CO 0.37 1.04 1.78 1.08 0.00 0.00 0.00 173.10 177.38 1gag s LEU 1170N -1.15 3.55 0.04 0.66 1.43 -1.26 -4.99 118.68 116.96 1gag s LEU 1170Ca 0.08 1.36 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1gag s LEU 1170Cb -0.01 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 1gag s LEU 1170CO -0.06 -1.65 -0.23 -0.76 0.23 0.00 0.00 176.35 173.87 1gag s LEU 1171N 6.68 2.34 -1.40 1.79 1.43 -1.26 -5.04 118.68 123.21 1gag s LEU 1171Ca 0.79 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 1gag s LEU 1171Cb -0.23 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1gag s LEU 1171CO 0.33 0.26 2.44 -0.81 0.23 0.00 0.00 176.35 178.80 1gag n PRO 1172N 1.72 2.94 -0.27 1.29 -0.04 -1.26 -4.85 135.00 134.52 1gag n PRO 1172Ca -0.17 -2.30 -0.05 0.00 -0.04 0.00 0.00 63.50 60.95 1gag n PRO 1172Cb 0.52 -3.02 -0.03 0.00 -0.04 0.00 0.00 33.50 30.93 1gag n PRO 1172CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1gag n VAL 1173N 4.61 -0.41 0.00 0.52 0.31 -1.26 -0.77 118.33 121.34 1gag n VAL 1173Ca 0.60 1.58 0.00 0.00 -0.01 0.00 0.00 64.34 66.51 1gag n VAL 1173Cb 0.32 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 1gag n VAL 1173CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1gag n ARG 1174N -4.89 0.00 0.00 5.55 1.74 -1.26 -1.09 116.66 116.71 1gag n ARG 1174Ca 0.04 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1gag n ARG 1174Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1gag n ARG 1174CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1gag n TRP 1175N -1.08 0.00 -3.15 -1.55 8.01 0.06 -4.97 117.44 114.75 1gag n TRP 1175Ca 0.00 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.86 1gag n TRP 1175Cb 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.24 1gag n TRP 1175CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1gag s MET 1176N -0.08 4.05 0.62 -0.99 -1.94 -0.25 -3.93 119.30 116.77 1gag s MET 1176Ca 0.00 0.69 -0.14 0.00 -1.71 0.00 0.00 55.69 54.53 1gag s MET 1176Cb 0.00 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.26 1gag s MET 1176CO 0.00 0.23 1.05 0.00 -0.01 0.00 0.00 175.02 176.29 1gag s ALA 1177N -1.86 2.76 0.20 3.03 0.00 -1.26 -4.88 121.76 119.75 1gag s ALA 1177Ca 0.51 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1gag s ALA 1177Cb -0.12 -3.20 0.13 0.00 0.00 0.00 0.00 23.12 19.94 1gag s ALA 1177CO 0.18 -0.90 1.87 -1.00 0.00 0.00 0.00 175.76 175.92 1gag h PRO 1178N 0.05 0.91 -0.26 0.00 0.13 -1.90 -0.92 132.00 130.01 1gag h PRO 1178Ca -0.46 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 1gag h PRO 1178Cb 1.21 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1gag h PRO 1178CO 0.58 0.60 -0.19 1.05 -0.23 0.00 0.00 178.00 179.80 1gag h GLU 1179N 0.93 0.46 -0.40 0.86 9.09 -1.91 0.19 114.58 123.80 1gag h GLU 1179Ca 0.25 -0.15 -0.11 0.00 0.05 0.00 0.00 59.36 59.40 1gag h GLU 1179Cb -0.11 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 26.94 1gag h GLU 1179CO -0.06 0.63 -0.20 0.77 0.05 0.00 0.00 179.01 180.21 1gag h SER 1180N 0.41 0.77 -0.15 3.06 0.02 -1.48 0.10 113.55 116.29 1gag h SER 1180Ca 0.07 -0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 1gag h SER 1180Cb 0.57 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1gag h SER 1180CO 0.04 0.96 -0.33 -0.07 -1.14 0.00 0.00 176.83 176.28 1gag h LEU 1181N 0.67 0.55 0.59 5.07 3.38 -0.69 -0.23 115.31 124.66 1gag h LEU 1181Ca 0.10 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1gag h LEU 1181Cb 0.70 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1gag h LEU 1181CO 0.05 1.02 -0.28 0.50 0.09 0.00 0.00 178.44 179.82 1gag h LYS 1182N 0.11 -0.76 -0.29 1.13 3.64 -0.54 -3.38 116.57 116.48 1gag h LYS 1182Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1gag h LYS 1182Cb 0.94 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1gag h LYS 1182CO 0.07 -0.50 0.00 -0.25 -2.27 0.00 0.00 179.45 176.50 1gag n ASP 1183N -5.30 3.15 -1.19 4.20 8.00 0.35 -4.97 116.55 120.79 1gag n ASP 1183Ca -0.10 -1.92 -0.13 0.00 0.71 0.00 0.00 54.79 53.35 1gag n ASP 1183Cb 0.31 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 1gag n ASP 1183CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gag n GLY 1184N 1.25 0.78 3.81 0.44 0.00 -0.10 -4.79 105.19 106.59 1gag n GLY 1184Ca 0.16 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1gag n GLY 1184CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gag s VAL 1185N -2.55 5.14 -0.11 1.61 1.01 -1.24 -0.87 120.40 123.38 1gag s VAL 1185Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1gag s VAL 1185Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1gag s VAL 1185CO 0.00 0.52 -0.16 -0.36 0.00 0.00 0.00 175.10 175.11 1gag s PHE 1186N -0.64 2.04 0.40 5.22 0.40 -1.26 -3.55 117.98 120.59 1gag s PHE 1186Ca 0.22 -0.98 0.05 0.00 -0.60 0.00 0.00 56.93 55.62 1gag s PHE 1186Cb -0.15 -1.47 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1gag s PHE 1186CO 0.11 -0.50 0.17 0.25 0.70 0.00 0.00 175.22 175.95 1gag n THR 1187N 4.21 0.00 0.50 0.64 -2.24 -1.26 -4.79 114.28 111.34 1gag n THR 1187Ca -0.19 -2.40 0.13 0.00 -2.27 0.00 0.00 64.05 59.31 1gag n THR 1187Cb 0.51 0.92 0.45 0.00 -2.10 0.00 0.00 70.33 70.12 1gag n THR 1187CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1gag n THR 1188N -0.88 0.72 0.06 4.28 5.66 -1.26 -2.14 114.28 120.73 1gag n THR 1188Ca -0.04 -0.01 -0.12 0.00 -3.05 0.00 0.00 64.05 60.83 1gag n THR 1188Cb 0.62 -0.89 -0.02 0.00 -1.55 0.00 0.00 70.33 68.48 1gag n THR 1188CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1gag h SER 1189N 0.00 0.50 0.30 1.09 0.02 -1.91 -1.60 113.55 111.94 1gag h SER 1189Ca 0.00 -0.38 -0.17 0.00 -0.84 0.00 0.00 61.79 60.40 1gag h SER 1189Cb 0.54 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1gag h SER 1189CO 0.00 1.16 -0.68 0.77 -1.14 0.00 0.00 176.83 176.94 1gag h SER 1190N 0.24 0.41 -0.04 3.07 4.64 -1.80 -2.41 113.55 117.66 1gag h SER 1190Ca -0.06 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1gag h SER 1190Cb 1.49 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1gag h SER 1190CO 0.15 0.97 -0.04 0.44 -0.87 0.00 0.00 176.83 177.47 1gag h ASP 1191N 0.24 0.20 -0.36 4.97 3.32 -1.29 -1.69 116.42 121.81 1gag h ASP 1191Ca -0.02 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1gag h ASP 1191Cb 1.23 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1gag h ASP 1191CO 0.11 0.28 -0.13 -0.03 -1.72 0.00 0.00 179.24 177.76 1gag h MET 1192N 0.21 0.81 -0.55 3.56 4.05 -0.81 -1.48 114.93 120.72 1gag h MET 1192Ca 0.05 -0.28 -0.01 0.00 -0.28 0.00 0.00 59.70 59.18 1gag h MET 1192Cb 0.22 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 1gag h MET 1192CO 0.01 0.90 0.31 2.35 0.23 0.00 0.00 176.91 180.71 1gag h TRP 1193N 0.73 0.74 -0.55 1.39 2.91 -0.96 -2.04 115.95 118.17 1gag h TRP 1193Ca 0.12 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.09 1gag h TRP 1193Cb 0.62 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 1gag h TRP 1193CO 0.03 0.53 0.19 0.77 -1.03 0.00 0.00 178.44 178.93 1gag h SER 1194N 0.74 0.74 -0.20 2.65 0.02 -1.10 -2.33 113.55 114.07 1gag h SER 1194Ca 0.19 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1gag h SER 1194Cb 0.02 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1gag h SER 1194CO -0.03 0.70 -0.05 0.15 -1.14 0.00 0.00 176.83 176.45 1gag h PHE 1195N 0.79 -0.11 -0.64 3.45 3.57 -0.60 0.48 116.94 123.89 1gag h PHE 1195Ca 0.18 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.81 1gag h PHE 1195Cb 0.21 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.95 1gag h PHE 1195CO 0.01 -0.09 0.24 0.78 -2.23 0.00 0.00 178.31 177.02 1gag h GLY 1196N -0.00 0.90 1.74 2.40 0.00 -0.88 0.28 103.07 107.51 1gag h GLY 1196Ca 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1gag h GLY 1196CO -0.21 -0.04 -0.01 -2.08 0.00 0.00 0.00 176.54 174.20 1gag h VAL 1197N 0.41 1.15 -0.33 4.60 2.07 -0.98 0.04 116.25 123.22 1gag h VAL 1197Ca 0.33 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1gag h VAL 1197Cb 0.43 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1gag h VAL 1197CO -0.33 0.20 -0.28 0.58 0.02 0.00 0.00 177.57 177.76 1gag h VAL 1198N 0.32 1.28 -0.64 2.57 2.07 0.16 0.29 116.25 122.29 1gag h VAL 1198Ca 0.07 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1gag h VAL 1198Cb 0.24 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1gag h VAL 1198CO 0.01 0.45 0.35 -0.07 0.02 0.00 0.00 177.57 178.33 1gag h LEU 1199N 0.59 0.80 -0.53 2.57 3.38 0.70 0.36 115.31 123.18 1gag h LEU 1199Ca 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1gag h LEU 1199Cb 0.77 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1gag h LEU 1199CO 0.06 0.66 0.22 -0.25 0.09 0.00 0.00 178.44 179.22 1gag h TRP 1200N 0.87 0.80 -0.76 1.13 7.01 -0.57 -0.66 115.95 123.77 1gag h TRP 1200Ca 0.22 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.18 1gag h TRP 1200Cb 0.04 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 26.82 1gag h TRP 1200CO -0.01 0.65 0.49 0.93 -2.79 0.00 0.00 178.44 177.72 1gag h GLU 1201N 0.71 0.96 -0.24 2.65 5.08 0.14 -2.53 114.58 121.35 1gag h GLU 1201Ca 0.18 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1gag h GLU 1201Cb 0.19 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1gag h GLU 1201CO -0.02 0.64 0.15 0.82 -1.00 0.00 0.00 179.01 179.60 1gag h ILE 1202N 0.99 1.08 0.00 3.13 2.04 -0.41 0.74 117.51 125.08 1gag h ILE 1202Ca 0.29 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1gag h ILE 1202Cb -0.06 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1gag h ILE 1202CO -0.08 0.08 0.00 0.35 0.00 0.00 0.00 178.15 178.50 1gag n THR 1203N -4.90 0.00 -0.69 -0.27 -2.24 -0.30 -2.81 114.28 103.06 1gag n THR 1203Ca -0.03 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1gag n THR 1203Cb 0.04 -0.52 0.04 0.00 -2.10 0.00 0.00 70.33 67.79 1gag n THR 1203CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1gag n SER 1204N -0.94 1.50 -3.74 3.42 3.41 -0.98 -4.75 113.62 111.55 1gag n SER 1204Ca 0.18 -2.11 -0.27 0.00 -0.26 0.00 0.00 58.87 56.41 1gag n SER 1204Cb 0.08 -0.14 0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1gag n SER 1204CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1gag n LEU 1205N -0.60 -2.97 -2.12 1.04 4.77 -0.93 -3.21 117.00 112.98 1gag n LEU 1205Ca 0.04 -0.65 -0.12 0.00 -0.03 0.00 0.00 56.01 55.26 1gag n LEU 1205Cb 0.45 -2.80 0.04 0.00 -2.33 0.00 0.00 43.42 38.78 1gag n LEU 1205CO 0.00 0.56 0.12 0.00 -1.33 0.00 0.00 177.39 176.74 1gag n ALA 1206N -4.83 -0.72 -1.52 -1.18 0.00 0.25 -3.94 120.51 108.58 1gag n ALA 1206Ca 0.02 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1gag n ALA 1206Cb 0.54 -2.92 0.20 0.00 0.00 0.00 0.00 19.45 17.28 1gag n ALA 1206CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1gag s GLU 1207N -5.57 -0.12 -0.15 0.00 2.02 -1.20 -4.96 118.70 108.73 1gag s GLU 1207Ca 0.27 -0.18 -0.26 0.00 0.02 0.00 0.00 54.97 54.82 1gag s GLU 1207Cb -0.12 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 1gag s GLU 1207CO 0.38 -2.96 0.85 -1.14 0.02 0.00 0.00 175.26 172.41 1gag s GLN 1208N -5.61 4.33 0.37 1.61 2.00 -1.26 -4.92 119.66 116.18 1gag s GLN 1208Ca 0.71 1.07 -0.28 0.00 -2.00 0.00 0.00 55.36 54.87 1gag s GLN 1208Cb -0.08 -3.56 -0.10 0.00 0.80 0.00 0.00 33.01 30.08 1gag s GLN 1208CO 0.54 -0.29 1.35 -2.14 -0.50 0.00 0.00 175.29 174.25 1gag s PRO 1209N 2.01 4.15 -1.48 1.67 0.02 -1.26 -2.12 135.00 137.99 1gag s PRO 1209Ca 0.40 2.28 -0.12 0.00 0.02 0.00 0.00 61.00 63.58 1gag s PRO 1209Cb -0.17 -2.93 0.06 0.00 0.02 0.00 0.00 34.50 31.48 1gag s PRO 1209CO 0.14 -0.39 0.94 0.66 -0.33 0.00 0.00 177.00 178.03 1gag n TYR 1210N 0.47 -2.34 -1.60 6.54 4.01 -1.26 -4.82 117.16 118.16 1gag n TYR 1210Ca 0.02 0.85 -0.51 0.00 -0.16 0.00 0.00 57.90 58.09 1gag n TYR 1210Cb 0.42 -4.13 -0.06 0.00 -0.31 0.00 0.00 39.34 35.25 1gag n TYR 1210CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1gag n GLN 1211N -4.60 1.53 0.00 -0.72 -0.06 -0.90 -1.30 117.38 111.33 1gag n GLN 1211Ca 0.02 0.51 0.00 0.00 -2.00 0.00 0.00 57.00 55.53 1gag n GLN 1211Cb 0.54 -2.48 0.00 0.00 -4.06 0.00 0.00 30.24 24.24 1gag n GLN 1211CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1gag n GLY 1212N 5.21 0.74 3.14 1.69 0.00 -1.26 -5.10 105.19 109.62 1gag n GLY 1212Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 1gag n GLY 1212CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gag s LEU 1213N 0.00 1.90 0.67 0.99 1.43 -0.42 -5.13 118.68 118.12 1gag s LEU 1213Ca 0.00 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 1gag s LEU 1213Cb 0.00 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1gag s LEU 1213CO 0.00 0.13 1.10 -0.94 0.23 0.00 0.00 176.35 176.87 1gag s SER 1214N 0.28 5.10 0.35 2.29 1.04 -1.26 -4.72 113.70 116.78 1gag s SER 1214Ca -0.11 1.96 0.14 0.00 0.48 0.00 0.00 55.95 58.41 1gag s SER 1214Cb -0.15 -2.55 1.01 0.00 0.10 0.00 0.00 66.02 64.44 1gag s SER 1214CO 0.05 -1.63 1.72 0.78 0.98 0.00 0.00 173.24 175.13 1gag h ASN 1215N -0.08 0.57 -0.27 7.02 2.35 -2.00 0.74 115.58 123.91 1gag h ASN 1215Ca -0.46 0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.33 1gag h ASN 1215Cb 1.24 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 1gag h ASN 1215CO 0.54 0.03 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.89 1gag h GLU 1216N 0.46 0.69 -0.22 0.81 5.08 -2.00 -2.09 114.58 117.31 1gag h GLU 1216Ca 0.66 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1gag h GLU 1216Cb 1.46 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1gag h GLU 1216CO -0.46 0.80 -0.05 1.96 -1.00 0.00 0.00 179.01 180.26 1gag h GLN 1217N 0.62 0.42 -0.12 2.33 4.20 0.09 -2.86 115.11 119.79 1gag h GLN 1217Ca 0.10 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1gag h GLN 1217Cb 0.59 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1gag h GLN 1217CO 0.04 0.65 0.03 0.28 -0.67 0.00 0.00 178.83 179.16 1gag h VAL 1218N 0.15 0.96 -0.62 -0.54 2.07 -1.07 -0.32 116.25 116.88 1gag h VAL 1218Ca 0.06 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.67 1gag h VAL 1218Cb 0.49 0.87 -0.12 0.00 -1.52 0.00 0.00 31.29 31.01 1gag h VAL 1218CO 0.02 0.02 -0.17 0.25 0.02 0.00 0.00 177.57 177.71 1gag h LEU 1219N 0.08 -0.61 -0.27 2.57 5.85 -1.39 0.37 115.31 121.91 1gag h LEU 1219Ca 0.05 0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1gag h LEU 1219Cb 0.04 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1gag h LEU 1219CO -0.06 -0.21 -0.10 0.50 -0.34 0.00 0.00 178.44 178.22 1gag h LYS 1220N -0.01 0.55 -0.35 1.25 1.63 -1.24 -2.85 116.57 115.54 1gag h LYS 1220Ca 0.30 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1gag h LYS 1220Cb 0.47 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 1gag h LYS 1220CO -0.65 0.78 0.21 0.35 -3.45 0.00 0.00 179.45 176.70 1gag h PHE 1221N 0.30 0.40 0.07 1.91 3.57 0.26 -2.66 116.94 120.80 1gag h PHE 1221Ca 0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1gag h PHE 1221Cb 0.60 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1gag h PHE 1221CO 0.06 0.24 -0.04 0.28 -2.23 0.00 0.00 178.31 176.62 1gag h VAL 1222N 0.44 1.10 0.00 1.41 2.07 -0.39 -0.48 116.25 120.40 1gag h VAL 1222Ca 0.14 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1gag h VAL 1222Cb -0.02 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1gag h VAL 1222CO -0.05 0.15 0.19 0.24 0.02 0.00 0.00 177.57 178.12 1gag h MET 1223N -0.38 0.00 -0.34 1.57 2.86 -1.46 0.42 114.93 117.60 1gag h MET 1223Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1gag h MET 1223Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1gag h MET 1223CO 0.02 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.74 1gag n ASP 1224N -2.75 2.22 0.00 1.22 8.00 -1.01 -4.88 116.55 119.35 1gag n ASP 1224Ca -0.02 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1gag n ASP 1224Cb 0.23 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1gag n ASP 1224CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gag n GLY 1225N 1.20 0.75 3.78 0.44 0.00 0.15 -5.08 105.19 106.43 1gag n GLY 1225Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1gag n GLY 1225CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gag s GLY 1226N -1.56 1.61 0.12 -0.02 0.00 -0.22 -4.99 107.32 102.27 1gag s GLY 1226Ca 0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 44.72 44.24 1gag s GLY 1226CO 0.00 0.24 1.03 -2.52 0.00 0.00 0.00 173.10 171.85 1gag s TYR 1227N -3.12 -0.10 0.60 1.90 -0.85 -1.26 -4.52 117.35 110.00 1gag s TYR 1227Ca 0.62 -0.17 -0.16 0.00 -0.52 0.00 0.00 57.07 56.83 1gag s TYR 1227Cb -0.15 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1gag s TYR 1227CO 0.55 -0.73 1.09 -0.51 -1.52 0.00 0.00 175.55 174.42 1gag s LEU 1228N -2.98 3.52 0.78 -3.49 1.43 -1.26 -5.06 118.68 111.63 1gag s LEU 1228Ca 0.13 1.94 -0.09 0.00 -1.03 0.00 0.00 54.13 55.09 1gag s LEU 1228Cb -0.00 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.77 1gag s LEU 1228CO 0.01 -1.31 1.10 -1.81 0.23 0.00 0.00 176.35 174.58 1gag s ASP 1229N -2.50 4.35 -0.15 2.29 1.01 -1.26 -5.03 116.67 115.38 1gag s ASP 1229Ca 0.66 0.36 -0.23 0.00 0.71 0.00 0.00 52.55 54.05 1gag s ASP 1229Cb -0.19 -0.82 -0.02 0.00 1.01 0.00 0.00 42.92 42.90 1gag s ASP 1229CO 0.36 -1.92 0.72 -1.10 0.21 0.00 0.00 175.17 173.44 1gag s GLN 1230N -5.42 4.31 0.85 8.23 -1.52 -1.26 -5.02 119.66 119.84 1gag s GLN 1230Ca 0.64 0.83 -0.13 0.00 -1.95 0.00 0.00 55.36 54.75 1gag s GLN 1230Cb -0.09 -3.54 0.05 0.00 -0.22 0.00 0.00 33.01 29.22 1gag s GLN 1230CO 0.47 -0.18 0.76 -2.30 -0.25 0.00 0.00 175.29 173.80 1gag n PRO 1231N 4.73 -0.05 -1.58 2.91 -0.02 -1.26 -4.79 135.00 134.95 1gag n PRO 1231Ca 0.01 0.05 -0.49 0.00 -2.02 0.00 0.00 63.50 61.04 1gag n PRO 1231Cb 0.50 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1gag n PRO 1231CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1gag n ASP 1232N -2.05 1.35 -3.55 2.55 8.00 -1.26 -1.37 116.55 120.22 1gag n ASP 1232Ca 0.10 1.14 -0.26 0.00 0.71 0.00 0.00 54.79 56.48 1gag n ASP 1232Cb 0.52 -1.20 -0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1gag n ASP 1232CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1gag n ASN 1233N 2.09 -3.76 -4.73 -2.24 4.13 -1.26 -4.88 115.26 104.60 1gag n ASN 1233Ca 0.16 -0.52 -0.42 0.00 1.68 0.00 0.00 54.58 55.48 1gag n ASN 1233Cb 0.23 -3.10 -0.03 0.00 -1.54 0.00 0.00 39.78 35.35 1gag n ASN 1233CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gag n PRO 1235N 3.05 1.77 -0.20 0.00 -0.02 -1.26 -4.78 135.00 133.56 1gag n PRO 1235Ca 0.08 0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 1gag n PRO 1235Cb 0.42 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1gag n PRO 1235CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gag h GLU 1236N 4.97 -0.02 -0.97 -0.52 4.81 -1.99 0.66 114.58 121.52 1gag h GLU 1236Ca -0.45 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 58.92 1gag h GLU 1236Cb 1.29 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.59 1gag h GLU 1236CO 0.81 -0.01 0.61 -0.09 -0.73 0.00 0.00 179.01 179.61 1gag h ARG 1237N -0.02 0.82 -0.11 1.92 2.43 -2.01 -1.14 114.38 116.27 1gag h ARG 1237Ca 0.28 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.20 1gag h ARG 1237Cb 0.45 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1gag h ARG 1237CO -0.62 0.54 -0.75 0.28 -1.51 0.00 0.00 179.97 177.91 1gag h VAL 1238N 0.85 1.33 -0.37 0.20 2.07 -1.29 -3.09 116.25 115.96 1gag h VAL 1238Ca 0.50 -2.06 0.02 0.00 0.82 0.00 0.00 66.70 65.98 1gag h VAL 1238Cb 0.66 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1gag h VAL 1238CO -0.27 0.63 0.25 0.74 0.02 0.00 0.00 177.57 178.94 1gag h THR 1239N 0.39 1.06 -0.07 2.57 2.02 0.06 -2.74 112.91 116.21 1gag h THR 1239Ca -0.04 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1gag h THR 1239Cb 1.34 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1gag h THR 1239CO 0.14 0.08 0.03 0.44 0.37 0.00 0.00 175.52 176.58 1gag h ASP 1240N 0.45 0.09 -0.92 4.18 3.32 -1.30 -1.62 116.42 120.62 1gag h ASP 1240Ca 0.14 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1gag h ASP 1240Cb 0.03 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1gag h ASP 1240CO -0.03 0.22 0.59 -0.07 -1.72 0.00 0.00 179.24 178.22 1gag h LEU 1241N -0.03 0.95 -1.30 1.55 3.38 -1.55 -0.48 115.31 117.83 1gag h LEU 1241Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1gag h LEU 1241Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1gag h LEU 1241CO -0.00 0.63 0.02 0.24 0.09 0.00 0.00 178.44 179.41 1gag h MET 1242N 1.10 0.49 -0.59 1.13 2.86 -1.28 0.48 114.93 119.12 1gag h MET 1242Ca 0.39 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1gag h MET 1242Cb 0.11 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1gag h MET 1242CO -0.15 0.51 0.08 0.00 1.06 0.00 0.00 176.91 178.40 1gag h ARG 1243N 0.47 0.96 -0.30 1.72 -0.00 -0.12 -2.31 114.38 114.80 1gag h ARG 1243Ca 0.11 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.98 59.19 1gag h ARG 1243Cb 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 29.97 30.13 1gag h ARG 1243CO 0.01 0.89 -0.42 0.52 0.00 0.00 0.00 179.97 180.97 1gag h MET 1244N 0.90 0.81 -0.14 0.04 2.07 -0.62 -3.27 114.93 114.73 1gag h MET 1244Ca 0.18 -0.48 -0.09 0.00 -2.07 0.00 0.00 59.70 57.25 1gag h MET 1244Cb 0.41 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.17 1gag h MET 1244CO 0.01 1.11 -0.30 0.00 1.07 0.00 0.00 176.91 178.80 1gag n TRP 1246N -4.12 2.48 -2.09 0.00 8.01 -0.89 -4.00 117.44 116.83 1gag n TRP 1246Ca -0.01 -1.27 -0.42 0.00 -1.31 0.00 0.00 57.50 54.49 1gag n TRP 1246Cb 0.40 -0.72 -0.03 0.00 -2.01 0.00 0.00 31.31 28.95 1gag n TRP 1246CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1gag s GLN 1247N -2.90 4.30 0.17 -0.99 -0.21 -1.21 -4.90 119.66 113.91 1gag s GLN 1247Ca 0.53 2.19 -0.15 0.00 0.02 0.00 0.00 55.36 57.94 1gag s GLN 1247Cb 0.42 -3.18 0.13 0.00 1.00 0.00 0.00 33.01 31.38 1gag s GLN 1247CO 0.12 -0.43 1.72 0.35 -2.12 0.00 0.00 175.29 174.93 1gag h PHE 1248N 6.09 0.09 -3.00 0.91 3.57 -1.94 -3.39 116.94 119.27 1gag h PHE 1248Ca -0.44 0.03 -0.57 0.00 3.53 0.00 0.00 57.97 60.52 1gag h PHE 1248Cb 1.21 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 1gag h PHE 1248CO 0.63 -0.02 0.99 1.21 -2.23 0.00 0.00 178.31 178.90 1gag s ASN 1249N -5.30 6.67 0.36 0.41 3.84 -1.26 -4.83 114.94 114.83 1gag s ASN 1249Ca -0.13 1.42 0.09 0.00 0.21 0.00 0.00 52.86 54.45 1gag s ASN 1249Cb 0.14 -2.54 0.81 0.00 -0.55 0.00 0.00 41.25 39.11 1gag s ASN 1249CO 0.72 -1.04 1.88 1.55 -2.79 0.00 0.00 177.10 177.41 1gag h PRO 1250N 9.34 0.68 0.00 0.43 0.13 -1.96 -1.79 132.00 138.83 1gag h PRO 1250Ca -0.28 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1gag h PRO 1250Cb 1.11 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1gag h PRO 1250CO 1.01 0.45 0.00 0.87 -0.23 0.00 0.00 178.00 180.10 1gag h LYS 1251N 0.70 0.00 0.00 0.86 1.57 -1.93 -2.65 116.57 115.11 1gag h LYS 1251Ca 0.44 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.14 1gag h LYS 1251Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1gag h LYS 1251CO -0.20 0.00 -1.17 0.52 -0.57 0.00 0.00 179.45 178.03 1gag h MET 1252N 0.00 0.00 -7.11 3.15 2.86 -1.68 -3.47 114.93 108.68 1gag h MET 1252Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1gag h MET 1252Cb 0.19 0.00 0.11 0.00 0.06 0.00 0.00 31.60 31.96 1gag h MET 1252CO 0.00 0.13 0.46 1.03 1.06 0.00 0.00 176.91 179.59 1gag s ARG 1253N -3.17 2.93 0.95 1.72 0.52 -1.00 -5.01 118.95 115.89 1gag s ARG 1253Ca -0.02 1.79 -0.13 0.00 -0.52 0.00 0.00 55.73 56.85 1gag s ARG 1253Cb 0.09 -1.93 0.16 0.00 0.52 0.00 0.00 34.95 33.79 1gag s ARG 1253CO 0.80 -1.23 1.16 -1.25 0.02 0.00 0.00 175.30 174.80 1gag s PRO 1254N -3.40 0.84 0.22 3.54 0.04 -1.26 -5.06 135.00 129.93 1gag s PRO 1254Ca 0.76 0.16 0.05 0.00 0.04 0.00 0.00 61.00 62.02 1gag s PRO 1254Cb -0.29 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1gag s PRO 1254CO 0.34 -2.37 0.29 0.95 0.04 0.00 0.00 177.00 176.25 1gag s THR 1255N -3.33 5.02 0.29 1.26 -4.23 -1.26 -4.89 115.64 108.49 1gag s THR 1255Ca 0.66 -1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.11 1gag s THR 1255Cb -0.13 -3.69 0.27 0.00 1.34 0.00 0.00 72.50 70.30 1gag s THR 1255CO 0.53 -0.28 1.91 -0.26 -0.54 0.00 0.00 174.62 175.98 1gag h PHE 1256N 1.49 1.12 -0.61 3.99 0.04 -1.92 -1.78 116.94 119.27 1gag h PHE 1256Ca -0.50 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.29 1gag h PHE 1256Cb 1.22 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.97 1gag h PHE 1256CO 0.50 0.60 0.35 -0.07 -0.60 0.00 0.00 178.31 179.08 1gag h LEU 1257N 1.11 0.73 -1.16 1.54 3.38 -1.94 -0.22 115.31 118.76 1gag h LEU 1257Ca 0.40 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.24 1gag h LEU 1257Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1gag h LEU 1257CO -0.15 0.58 -0.41 -0.33 0.09 0.00 0.00 178.44 178.22 1gag h GLU 1258N 0.84 0.00 -0.32 1.13 5.08 -1.74 -1.01 114.58 118.56 1gag h GLU 1258Ca 0.22 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.41 1gag h GLU 1258Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1gag h GLU 1258CO -0.04 0.41 -0.47 0.82 -1.00 0.00 0.00 179.01 178.74 1gag h ILE 1259N 0.00 1.28 -0.17 3.13 1.08 -0.60 -1.97 117.51 120.26 1gag h ILE 1259Ca -0.00 -1.65 -0.17 0.00 -0.39 0.00 0.00 64.86 62.65 1gag h ILE 1259Cb 0.75 1.53 -0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1gag h ILE 1259CO 0.05 0.54 -0.59 0.58 -0.69 0.00 0.00 178.15 178.04 1gag h VAL 1260N 0.67 1.32 -0.85 1.67 2.07 -0.94 -3.06 116.25 117.15 1gag h VAL 1260Ca 0.04 -1.86 0.04 0.00 0.82 0.00 0.00 66.70 65.74 1gag h VAL 1260Cb 1.06 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 1gag h VAL 1260CO 0.11 0.58 0.56 -1.13 0.02 0.00 0.00 177.57 177.70 1gag h ASN 1261N 0.42 0.90 0.89 0.57 -1.24 -1.02 0.41 115.58 116.51 1gag h ASN 1261Ca -0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1gag h ASN 1261Cb 1.15 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.99 1gag h ASN 1261CO 0.11 0.61 0.00 -0.07 -1.29 0.00 0.00 177.43 176.79 1gag h LEU 1262N 1.04 0.00 0.00 0.34 3.38 -1.25 -3.27 115.31 115.54 1gag h LEU 1262Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1gag h LEU 1262Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1gag h LEU 1262CO -0.10 0.00 -0.28 0.18 0.09 0.00 0.00 178.44 178.33 1gag n LEU 1263N -3.04 0.14 0.01 1.67 4.77 -0.47 -4.75 117.00 115.33 1gag n LEU 1263Ca 0.00 -0.44 0.21 0.00 -0.03 0.00 0.00 56.01 55.75 1gag n LEU 1263Cb 0.27 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.90 1gag n LEU 1263CO 0.26 0.04 1.19 0.07 -1.33 0.00 0.00 177.39 177.62 1gag h LYS 1264N 0.00 0.00 -0.12 3.23 2.10 -0.30 -1.48 116.57 119.99 1gag h LYS 1264Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1gag h LYS 1264Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1gag h LYS 1264CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1gag n ASP 1265N -3.28 1.71 -2.63 7.07 8.00 -1.26 -4.19 116.55 121.97 1gag n ASP 1265Ca 0.13 -1.66 -0.12 0.00 0.71 0.00 0.00 54.79 53.85 1gag n ASP 1265Cb 1.04 -0.08 0.03 0.00 -0.02 0.00 0.00 41.12 42.09 1gag n ASP 1265CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1gag n ASP 1266N 0.34 2.06 -4.38 -2.24 -0.08 -0.56 -5.10 116.55 106.60 1gag n ASP 1266Ca 0.17 -2.84 -0.19 0.00 -1.51 0.00 0.00 54.79 50.41 1gag n ASP 1266Cb 0.35 -0.51 -0.10 0.00 2.34 0.00 0.00 41.12 43.20 1gag n ASP 1266CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1gag s LEU 1267N -3.25 2.45 0.36 -2.67 1.43 -1.26 -4.78 118.68 110.96 1gag s LEU 1267Ca 0.31 -1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 52.00 1gag s LEU 1267Cb 0.44 -0.57 -0.12 0.00 0.03 0.00 0.00 46.19 45.97 1gag s LEU 1267CO -0.00 -0.33 1.07 1.57 0.23 0.00 0.00 176.35 178.89 1gag n HIS 1268N -0.48 1.44 -0.09 0.29 -0.00 -1.26 -4.83 115.22 110.28 1gag n HIS 1268Ca -0.06 0.61 0.26 0.00 -0.00 0.00 0.00 57.72 58.52 1gag n HIS 1268Cb 0.63 -2.28 0.72 0.00 -0.00 0.00 0.00 29.99 29.06 1gag n HIS 1268CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1gag h PRO 1269N 1.91 0.00 0.00 1.57 0.11 -2.00 -1.24 132.00 132.35 1gag h PRO 1269Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1gag h PRO 1269Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1gag h PRO 1269CO 0.59 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.04 1gag h SER 1270N 0.00 0.00 -0.07 -2.05 4.64 -2.02 -3.36 113.55 110.69 1gag h SER 1270Ca 0.35 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.71 1gag h SER 1270Cb 1.57 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.61 1gag h SER 1270CO -0.00 0.00 -0.37 0.15 -0.87 0.00 0.00 176.83 175.74 1gag h PHE 1271N 0.00 -1.02 0.00 4.77 3.57 -1.56 0.52 116.94 123.21 1gag h PHE 1271Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1gag h PHE 1271Cb 0.64 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1gag h PHE 1271CO 0.00 -0.44 0.12 -1.35 -2.23 0.00 0.00 178.31 174.40 1gag h PRO 1272N -0.48 0.00 0.01 6.41 0.11 -1.80 0.21 132.00 136.46 1gag h PRO 1272Ca 0.07 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.97 1gag h PRO 1272Cb 0.59 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 1gag h PRO 1272CO -0.34 0.00 -1.03 0.93 -0.21 0.00 0.00 178.00 177.35 1gag h GLU 1273N 0.00 0.02 0.00 1.05 5.08 -1.13 -3.40 114.58 116.20 1gag h GLU 1273Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1gag h GLU 1273Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1gag h GLU 1273CO 0.00 1.01 0.00 1.33 -1.00 0.00 0.00 179.01 180.35 1gag n VAL 1274N -3.36 0.00 -2.21 3.13 0.24 -0.38 -5.05 118.33 110.71 1gag n VAL 1274Ca -0.01 -0.45 -0.35 0.00 -2.04 0.00 0.00 64.34 61.49 1gag n VAL 1274Cb 0.95 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 34.34 1gag n VAL 1274CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1gag s SER 1275N -0.78 5.69 0.12 -1.34 1.04 0.58 -4.40 113.70 114.61 1gag s SER 1275Ca 0.00 2.12 -0.10 0.00 0.48 0.00 0.00 55.95 58.45 1gag s SER 1275Cb 0.00 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 1gag s SER 1275CO 0.00 -1.24 1.35 0.15 0.98 0.00 0.00 173.24 174.48 1gag h PHE 1276N 1.04 0.97 -0.99 5.02 3.57 -1.90 -3.02 116.94 121.64 1gag h PHE 1276Ca -0.49 -0.42 0.20 0.00 3.53 0.00 0.00 57.97 60.78 1gag h PHE 1276Cb 1.26 -0.15 -0.10 0.00 2.79 0.00 0.00 35.95 39.74 1gag h PHE 1276CO 0.52 1.23 0.61 0.35 -2.23 0.00 0.00 178.31 178.80 1gag h PHE 1277N 0.51 0.94 -0.01 0.41 3.04 -1.91 -1.24 116.94 118.67 1gag h PHE 1277Ca -0.04 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1gag h PHE 1277Cb 1.35 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.58 1gag h PHE 1277CO 0.08 0.21 -0.28 0.72 -2.02 0.00 0.00 178.31 177.02 1gag n HIS 1278N -4.70 0.00 -2.47 0.41 8.25 -1.18 -4.89 115.22 110.64 1gag n HIS 1278Ca 0.23 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.38 1gag n HIS 1278Cb 0.61 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 1gag n HIS 1278CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1gag s SER 1279N -2.47 6.48 0.51 0.41 1.04 -0.47 -4.96 113.70 114.24 1gag s SER 1279Ca 0.24 1.33 0.23 0.00 0.48 0.00 0.00 55.95 58.23 1gag s SER 1279Cb 0.19 -2.41 1.38 0.00 0.10 0.00 0.00 66.02 65.27 1gag s SER 1279CO 0.52 -0.58 2.09 1.05 0.98 0.00 0.00 173.24 177.30 1gag h GLU 1280N 0.72 0.00 -0.71 4.02 9.09 -1.93 -1.88 114.58 123.88 1gag h GLU 1280Ca -0.46 0.00 0.04 0.00 0.05 0.00 0.00 59.36 58.99 1gag h GLU 1280Cb 1.19 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.25 1gag h GLU 1280CO 0.62 0.10 0.47 1.49 0.05 0.00 0.00 179.01 181.75 1gag h GLU 1281N 0.00 0.80 -5.56 1.06 4.81 -1.93 -3.31 114.58 110.44 1gag h GLU 1281Ca -0.00 -0.05 -0.39 0.00 -0.13 0.00 0.00 59.36 58.79 1gag h GLU 1281Cb 0.23 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 1gag h GLU 1281CO 0.01 0.53 1.24 1.21 -0.73 0.00 0.00 179.01 181.27 1gag s ASN 1282N -6.28 5.36 0.00 1.04 2.47 -0.71 -5.17 114.94 111.65 1gag s ASN 1282Ca -0.10 -1.72 0.00 0.00 0.42 0.00 0.00 52.86 51.46 1gag s ASN 1282Cb 0.19 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1gag s ASN 1282CO 0.77 -2.71 0.08 0.29 -3.72 0.00 0.00 177.10 171.81