#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqh s ASP 985 N 0.00 6.39 -0.11 0.00 -0.00 -1.26 -5.09 116.67 116.59 1jqh s ASP 985 Ca 0.00 0.41 -0.22 0.00 -0.00 0.00 0.00 52.55 52.74 1jqh s ASP 985 Cb 0.00 -2.03 0.05 0.00 -0.00 0.00 0.00 42.92 40.94 1jqh s ASP 985 CO 0.00 0.32 0.53 0.54 -0.00 0.00 0.00 175.17 176.56 1jqh s VAL 986 N -1.21 0.01 -0.15 -1.27 0.11 -1.26 -5.04 120.40 111.59 1jqh s VAL 986 Ca 0.23 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1jqh s VAL 986 Cb -0.12 -0.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1jqh s VAL 986 CO 0.13 -0.06 -0.21 -0.47 -3.33 0.00 0.00 175.10 171.15 1jqh s TYR 987 N -0.55 2.69 -0.37 1.54 5.04 -1.26 -5.01 117.35 119.43 1jqh s TYR 987 Ca -0.07 -1.43 -0.17 0.00 -2.44 0.00 0.00 57.07 52.96 1jqh s TYR 987 Cb -0.03 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.44 1jqh s TYR 987 CO 0.04 -0.67 0.46 0.08 -1.34 0.00 0.00 175.55 174.12 1jqh s VAL 988 N 0.96 5.07 0.76 3.14 1.01 -1.26 -5.06 120.40 125.01 1jqh s VAL 988 Ca -0.03 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 1jqh s VAL 988 Cb -0.15 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1jqh s VAL 988 CO -0.05 -0.26 1.11 -2.65 0.00 0.00 0.00 175.10 173.26 1jqh n PRO 989 N 5.64 0.43 -2.57 2.72 -0.02 -1.26 -5.02 135.00 134.92 1jqh n PRO 989 Ca -0.06 0.21 -0.06 0.00 -2.02 0.00 0.00 63.50 61.57 1jqh n PRO 989 Cb 0.49 -2.36 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1jqh n PRO 989 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jqh n ASP 990 N -2.45 -0.84 0.00 2.55 3.85 -1.26 -5.03 116.55 113.37 1jqh n ASP 990 Ca 0.14 -1.86 0.00 0.00 -0.71 0.00 0.00 54.79 52.36 1jqh n ASP 990 Cb 0.50 1.48 0.00 0.00 -1.35 0.00 0.00 41.12 41.75 1jqh n ASP 990 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1jqh n GLU 991 N -0.27 0.00 0.01 0.11 1.02 -1.26 -1.68 120.64 118.57 1jqh n GLU 991 Ca -0.02 0.41 0.14 0.00 -0.02 0.00 0.00 57.16 57.67 1jqh n GLU 991 Cb 0.29 -1.51 0.55 0.00 -0.02 0.00 0.00 31.44 30.75 1jqh n GLU 991 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1jqh n TRP 992 N -1.40 0.10 -1.84 -0.32 7.02 -1.26 -4.88 117.44 114.86 1jqh n TRP 992 Ca 0.00 0.03 -0.39 0.00 -1.02 0.00 0.00 57.50 56.12 1jqh n TRP 992 Cb 0.01 -0.52 0.03 0.00 -2.42 0.00 0.00 31.31 28.41 1jqh n TRP 992 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1jqh s GLU 993 N -3.01 3.37 0.02 -0.99 2.56 -0.68 -1.55 118.70 118.42 1jqh s GLU 993 Ca 0.13 2.23 0.02 0.00 0.00 0.00 0.00 54.97 57.35 1jqh s GLU 993 Cb 0.18 -2.39 -0.02 0.00 2.00 0.00 0.00 34.13 33.90 1jqh s GLU 993 CO 0.56 -1.01 -0.07 0.14 -0.56 0.00 0.00 175.26 174.32 1jqh s VAL 994 N -1.30 0.51 0.02 3.70 -7.23 0.29 -4.79 120.40 111.60 1jqh s VAL 994 Ca 0.67 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1jqh s VAL 994 Cb -0.40 -0.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.96 1jqh s VAL 994 CO 0.49 -0.16 1.42 0.00 -0.31 0.00 0.00 175.10 176.54 1jqh s ALA 995 N -0.83 3.59 -1.41 1.32 0.00 -1.26 -4.60 121.76 118.57 1jqh s ALA 995 Ca -0.05 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1jqh s ALA 995 Cb -0.07 -3.60 0.15 0.00 0.00 0.00 0.00 23.12 19.61 1jqh s ALA 995 CO 0.00 -0.89 0.92 2.89 0.00 0.00 0.00 175.76 178.68 1jqh n ARG 996 N 5.21 0.04 0.06 0.00 1.85 -1.26 -0.66 116.66 121.90 1jqh n ARG 996 Ca 0.13 0.27 0.13 0.00 -1.00 0.00 0.00 57.85 57.38 1jqh n ARG 996 Cb 0.43 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.68 1jqh n ARG 996 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1jqh n GLU 997 N -1.30 0.21 0.00 2.89 0.00 -1.26 -3.12 120.64 118.06 1jqh n GLU 997 Ca 0.01 0.12 0.12 0.00 0.00 0.00 0.00 57.16 57.41 1jqh n GLU 997 Cb 0.02 -1.69 0.20 0.00 0.00 0.00 0.00 31.44 29.97 1jqh n GLU 997 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1jqh n LYS 998 N -2.03 0.52 -4.27 3.44 5.02 0.16 -4.88 118.16 116.13 1jqh n LYS 998 Ca 0.05 -0.35 -0.35 0.00 -2.02 0.00 0.00 58.31 55.63 1jqh n LYS 998 Cb 0.41 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 1jqh n LYS 998 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jqh s ILE 999 N -2.72 4.54 -0.07 -0.18 -1.09 -1.18 -1.92 121.20 118.57 1jqh s ILE 999 Ca 0.17 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.35 1jqh s ILE 999 Cb 0.18 -2.94 0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1jqh s ILE 999 CO 0.64 0.58 0.18 0.42 -1.23 0.00 0.00 174.94 175.53 1jqh s THR 1000N -0.94 -0.02 -0.19 2.92 -4.23 -0.50 -4.98 115.64 107.70 1jqh s THR 1000Ca 0.14 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 1jqh s THR 1000Cb -0.11 -0.28 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 1jqh s THR 1000CO 0.04 0.03 -0.04 -0.04 -0.54 0.00 0.00 174.62 174.07 1jqh s MET 1001N 0.63 3.53 -0.18 3.99 1.00 -1.26 -0.03 119.30 126.97 1jqh s MET 1001Ca -0.04 -0.57 -0.19 0.00 0.00 0.00 0.00 55.69 54.88 1jqh s MET 1001Cb -0.06 -2.96 -0.16 0.00 0.00 0.00 0.00 34.83 31.65 1jqh s MET 1001CO -0.03 0.03 0.21 0.66 0.00 0.00 0.00 175.02 175.89 1jqh h SER 1002N 7.38 0.00 -5.14 3.03 4.64 -1.24 -3.48 113.55 118.74 1jqh h SER 1002Ca -0.35 -0.46 -0.06 0.00 -0.47 0.00 0.00 61.79 60.46 1jqh h SER 1002Cb 1.18 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.16 1jqh h SER 1002CO 0.60 1.26 -0.12 0.00 -0.87 0.00 0.00 176.83 177.70 1jqh s ARG 1003N -2.29 1.22 0.51 4.77 1.70 -1.17 -4.99 118.95 118.69 1jqh s ARG 1003Ca -0.24 -0.94 -0.20 0.00 -0.47 0.00 0.00 55.73 53.89 1jqh s ARG 1003Cb 0.04 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.80 1jqh s ARG 1003CO 0.51 -0.49 1.06 -1.21 -1.08 0.00 0.00 175.30 174.09 1jqh s GLU 1004N -3.89 3.67 -0.10 3.89 2.02 -1.26 0.79 118.70 123.83 1jqh s GLU 1004Ca 0.10 1.39 0.01 0.00 0.02 0.00 0.00 54.97 56.49 1jqh s GLU 1004Cb 0.01 -2.07 -0.07 0.00 0.10 0.00 0.00 34.13 32.10 1jqh s GLU 1004CO -0.04 -0.54 -0.08 1.28 0.02 0.00 0.00 175.26 175.90 1jqh n LEU 1005N -1.14 2.78 0.00 1.80 4.77 0.20 -4.73 117.00 120.68 1jqh n LEU 1005Ca 0.10 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1jqh n LEU 1005Cb 0.52 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1jqh n LEU 1005CO 0.41 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1jqh n GLY 1006N 3.00 2.88 3.77 -0.72 0.00 -0.90 -5.00 105.19 108.22 1jqh n GLY 1006Ca -0.17 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1jqh n GLY 1006CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jqh s GLN 1007N -2.00 4.28 0.11 1.61 2.00 -1.26 -0.24 119.66 124.15 1jqh s GLN 1007Ca 0.00 2.21 0.00 0.00 -2.00 0.00 0.00 55.36 55.57 1jqh s GLN 1007Cb 0.00 -3.01 0.00 0.00 0.80 0.00 0.00 33.01 30.81 1jqh s GLN 1007CO 0.00 -0.25 0.04 0.41 -0.50 0.00 0.00 175.29 174.98 1jqh n GLY 1008N 0.76 3.61 0.25 2.59 0.00 0.11 -4.83 105.19 107.68 1jqh n GLY 1008Ca 0.01 -2.22 -0.04 0.00 0.00 0.00 0.00 46.02 43.76 1jqh n GLY 1008CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jqh h SER 1009N 0.21 0.60 0.00 1.61 0.02 -1.96 -3.22 113.55 110.81 1jqh h SER 1009Ca -0.08 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1jqh h SER 1009Cb 0.27 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1jqh h SER 1009CO 0.13 0.80 -1.58 0.49 -1.14 0.00 0.00 176.83 175.54 1jqh n PHE 1010N -4.14 0.00 -1.04 3.45 3.01 -1.26 -5.06 117.46 112.41 1jqh n PHE 1010Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1jqh n PHE 1010Cb 0.39 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1jqh n PHE 1010CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jqh n GLY 1011N 1.37 -2.37 3.78 1.37 0.00 -1.13 -1.29 105.19 106.92 1jqh n GLY 1011Ca -0.01 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1jqh n GLY 1011CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jqh s MET 1012N -1.94 4.10 -0.14 1.61 -2.45 -1.26 0.04 119.30 119.26 1jqh s MET 1012Ca 0.00 2.58 -0.04 0.00 -1.25 0.00 0.00 55.69 56.98 1jqh s MET 1012Cb 0.00 -2.97 -0.03 0.00 1.25 0.00 0.00 34.83 33.08 1jqh s MET 1012CO 0.00 -0.55 -0.01 0.08 1.05 0.00 0.00 175.02 175.59 1jqh s VAL 1013N -1.06 4.15 0.46 10.11 1.01 0.66 -2.66 120.40 133.07 1jqh s VAL 1013Ca 0.53 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1jqh s VAL 1013Cb -0.47 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1jqh s VAL 1013CO 0.63 0.52 0.06 -0.31 0.00 0.00 0.00 175.10 175.99 1jqh s TYR 1014N 0.03 2.20 0.14 5.22 2.02 0.08 0.59 117.35 127.64 1jqh s TYR 1014Ca 0.02 -0.79 0.08 0.00 -0.37 0.00 0.00 57.07 56.01 1jqh s TYR 1014Cb -0.13 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1jqh s TYR 1014CO 0.02 0.26 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.14 1jqh s GLU 1015N -3.84 1.99 0.00 -0.62 2.12 0.24 0.35 118.70 118.94 1jqh s GLU 1015Ca 0.24 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.38 1jqh s GLU 1015Cb 0.05 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.26 1jqh s GLU 1015CO 0.13 0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 1jqh n GLY 1016N 0.41 1.23 2.97 -1.50 0.00 -0.62 -0.67 105.19 107.01 1jqh n GLY 1016Ca -0.13 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1jqh n GLY 1016CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jqh s VAL 1017N -1.84 0.38 -0.04 1.61 1.01 0.96 -1.19 120.40 121.28 1jqh s VAL 1017Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1jqh s VAL 1017Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1jqh s VAL 1017CO 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 175.10 174.90 1jqh s ALA 1018N -0.50 1.32 -0.07 5.51 0.00 0.86 -1.41 121.76 127.48 1jqh s ALA 1018Ca -0.02 -0.55 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 1jqh s ALA 1018Cb -0.04 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1jqh s ALA 1018CO -0.00 0.21 0.44 0.15 0.00 0.00 0.00 175.76 176.56 1jqh s LYS 1019N 0.20 4.18 -1.34 0.00 1.02 -0.81 -0.29 119.74 122.69 1jqh s LYS 1019Ca -0.06 0.42 -0.08 0.00 0.02 0.00 0.00 55.97 56.28 1jqh s LYS 1019Cb -0.12 -3.35 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1jqh s LYS 1019CO 0.02 0.38 1.15 0.41 -0.92 0.00 0.00 175.35 176.39 1jqh n GLY 1020N 2.67 -0.52 0.02 -3.33 0.00 -0.30 -4.89 105.19 98.85 1jqh n GLY 1020Ca -0.10 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1jqh n GLY 1020CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jqh n VAL 1021N -4.86 0.00 -4.86 1.61 0.24 -1.26 -4.93 118.33 104.27 1jqh n VAL 1021Ca -0.04 -0.14 -0.26 0.00 -2.04 0.00 0.00 64.34 61.86 1jqh n VAL 1021Cb 0.58 1.01 -0.15 0.00 -1.47 0.00 0.00 33.84 33.81 1jqh n VAL 1021CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jqh s VAL 1022N -2.44 1.58 0.17 3.34 1.01 -1.26 -4.97 120.40 117.83 1jqh s VAL 1022Ca 0.06 -0.95 -0.33 0.00 0.00 0.00 0.00 61.98 60.77 1jqh s VAL 1022Cb 0.12 -1.33 -0.12 0.00 0.00 0.00 0.00 36.38 35.04 1jqh s VAL 1022CO 0.63 0.37 1.70 1.17 0.00 0.00 0.00 175.10 178.97 1jqh n LYS 1023N 2.37 2.56 -2.30 2.72 4.81 -1.26 -1.88 118.16 125.18 1jqh n LYS 1023Ca -0.16 0.93 -0.18 0.00 -0.87 0.00 0.00 58.31 58.03 1jqh n LYS 1023Cb 0.53 -2.76 -0.02 0.00 0.02 0.00 0.00 35.03 32.81 1jqh n LYS 1023CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jqh n ASP 1024N 4.19 -5.29 -3.78 3.14 10.43 -1.26 -4.94 116.55 119.03 1jqh n ASP 1024Ca 0.17 0.10 -0.30 0.00 2.57 0.00 0.00 54.79 57.33 1jqh n ASP 1024Cb 0.33 -4.46 -0.15 0.00 1.84 0.00 0.00 41.12 38.68 1jqh n ASP 1024CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1jqh s GLU 1025N -4.85 0.84 0.27 -1.24 2.02 -0.79 -5.01 118.70 109.95 1jqh s GLU 1025Ca 0.00 -1.22 -0.01 0.00 0.02 0.00 0.00 54.97 53.76 1jqh s GLU 1025Cb 0.00 -2.19 0.61 0.00 0.10 0.00 0.00 34.13 32.65 1jqh s GLU 1025CO 0.00 -0.98 1.64 -1.35 0.02 0.00 0.00 175.26 174.59 1jqh h PRO 1026N 8.00 0.17 -4.36 0.39 0.11 -1.92 -3.26 132.00 131.12 1jqh h PRO 1026Ca -0.12 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.80 1jqh h PRO 1026Cb 1.01 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 31.92 1jqh h PRO 1026CO 0.48 0.11 -0.70 -1.21 -0.21 0.00 0.00 178.00 176.47 1jqh s GLU 1027N -6.00 0.60 -0.07 1.05 2.02 -1.26 -1.14 118.70 113.90 1jqh s GLU 1027Ca -0.13 -1.06 -0.06 0.00 0.02 0.00 0.00 54.97 53.75 1jqh s GLU 1027Cb 0.25 -0.01 0.02 0.00 0.10 0.00 0.00 34.13 34.49 1jqh s GLU 1027CO 0.77 -0.05 0.18 0.99 0.02 0.00 0.00 175.26 177.17 1jqh s THR 1028N -2.94 -0.01 0.16 3.63 2.01 0.60 -4.90 115.64 114.19 1jqh s THR 1028Ca 0.01 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1jqh s THR 1028Cb 0.01 -0.26 -0.07 0.00 0.01 0.00 0.00 72.50 72.19 1jqh s THR 1028CO -0.05 0.01 0.96 -0.13 -0.69 0.00 0.00 174.62 174.72 1jqh s ARG 1029N 0.24 4.75 0.26 4.92 0.52 -1.26 -0.10 118.95 128.28 1jqh s ARG 1029Ca -0.01 1.48 -0.01 0.00 -0.52 0.00 0.00 55.73 56.67 1jqh s ARG 1029Cb -0.02 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 1jqh s ARG 1029CO -0.01 0.31 0.26 0.14 0.02 0.00 0.00 175.30 176.02 1jqh s VAL 1030N -0.40 0.00 -0.17 3.52 -7.23 -0.33 -4.08 120.40 111.71 1jqh s VAL 1030Ca 0.45 -1.86 -0.05 0.00 -1.81 0.00 0.00 61.98 58.71 1jqh s VAL 1030Cb -0.24 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1jqh s VAL 1030CO 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 175.09 1jqh s ALA 1031N -3.81 3.07 -0.39 1.32 0.00 -0.29 -1.59 121.76 120.07 1jqh s ALA 1031Ca 0.36 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 1jqh s ALA 1031Cb 0.04 -1.68 0.07 0.00 0.00 0.00 0.00 23.12 21.55 1jqh s ALA 1031CO 0.17 0.10 0.19 0.42 0.00 0.00 0.00 175.76 176.63 1jqh s ILE 1032N 0.56 3.86 -0.02 0.00 -1.09 0.16 -0.91 121.20 123.75 1jqh s ILE 1032Ca -0.01 -1.43 -0.21 0.00 -2.23 0.00 0.00 60.65 56.76 1jqh s ILE 1032Cb -0.14 -3.35 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 1jqh s ILE 1032CO 0.02 -0.42 0.62 -0.54 -1.23 0.00 0.00 174.94 173.40 1jqh s LYS 1033N 1.36 4.36 0.37 2.79 1.02 -0.43 -0.74 119.74 128.47 1jqh s LYS 1033Ca 0.02 0.77 0.04 0.00 0.02 0.00 0.00 55.97 56.82 1jqh s LYS 1033Cb -0.22 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 1jqh s LYS 1033CO 0.01 0.27 0.07 0.95 -0.92 0.00 0.00 175.35 175.73 1jqh s THR 1034N 0.12 1.08 -0.08 2.17 -4.23 -1.09 -1.77 115.64 111.85 1jqh s THR 1034Ca 0.33 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 1jqh s THR 1034Cb -0.18 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 71.03 1jqh s THR 1034CO 0.17 0.00 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.34 1jqh s VAL 1035N -3.20 1.91 0.60 2.29 1.01 -1.20 -2.83 120.40 118.99 1jqh s VAL 1035Ca 0.30 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 1jqh s VAL 1035Cb 0.06 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1jqh s VAL 1035CO 0.14 0.53 1.22 0.21 0.00 0.00 0.00 175.10 177.20 1jqh s ASN 1036N 0.22 5.14 0.30 3.32 3.84 -0.41 -4.71 114.94 122.63 1jqh s ASN 1036Ca -0.13 2.41 0.05 0.00 0.21 0.00 0.00 52.86 55.40 1jqh s ASN 1036Cb -0.16 -2.60 0.73 0.00 -0.55 0.00 0.00 41.25 38.67 1jqh s ASN 1036CO 0.06 -1.63 1.75 1.05 -2.79 0.00 0.00 177.10 175.54 1jqh h GLU 1037N 0.86 0.61 0.00 0.43 4.11 -2.00 0.20 114.58 118.79 1jqh h GLU 1037Ca -0.51 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1jqh h GLU 1037Cb 1.30 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1jqh h GLU 1037CO 0.55 0.40 0.30 0.00 0.07 0.00 0.00 179.01 180.33 1jqh h ALA 1038N 1.66 1.29 -2.90 1.06 0.00 -1.98 -3.43 119.26 114.96 1jqh h ALA 1038Ca 0.57 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.95 1jqh h ALA 1038Cb 0.95 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.83 1jqh h ALA 1038CO -0.43 -0.29 0.71 0.00 0.00 0.00 0.00 179.25 179.24 1jqh s ALA 1039N -4.05 3.54 0.94 0.00 0.00 0.69 -5.03 121.76 117.86 1jqh s ALA 1039Ca -0.03 1.42 -0.00 0.00 0.00 0.00 0.00 51.96 53.34 1jqh s ALA 1039Cb 0.09 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1jqh s ALA 1039CO 0.28 -0.85 0.04 -1.13 0.00 0.00 0.00 175.76 174.10 1jqh n SER 1040N 0.74 0.01 -0.04 0.00 3.41 -1.26 -4.89 113.62 111.58 1jqh n SER 1040Ca 0.01 -1.02 -0.13 0.00 -0.26 0.00 0.00 58.87 57.47 1jqh n SER 1040Cb 0.40 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.21 1jqh n SER 1040CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1jqh h MET 1041N 0.00 -0.02 -0.79 4.33 4.05 -1.99 -2.93 114.93 117.58 1jqh h MET 1041Ca -0.01 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.56 1jqh h MET 1041Cb 0.03 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.74 1jqh h MET 1041CO 0.01 0.75 0.34 -0.09 0.23 0.00 0.00 176.91 178.14 1jqh h ARG 1042N -0.85 0.46 0.25 0.39 2.43 -1.96 0.12 114.38 115.23 1jqh h ARG 1042Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1jqh h ARG 1042Cb 0.77 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1jqh h ARG 1042CO 0.00 0.31 -0.12 0.93 -1.51 0.00 0.00 179.97 179.58 1jqh h GLU 1043N 0.48 -0.33 -0.62 0.20 5.08 -1.95 0.25 114.58 117.69 1jqh h GLU 1043Ca 0.44 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.91 1jqh h GLU 1043Cb 0.68 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1jqh h GLU 1043CO -0.41 -0.10 0.41 0.00 -1.00 0.00 0.00 179.01 177.91 1jqh h ARG 1044N -0.51 0.47 -0.08 2.33 3.08 -1.17 0.29 114.38 118.79 1jqh h ARG 1044Ca -0.03 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.84 1jqh h ARG 1044Cb 0.38 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1jqh h ARG 1044CO 0.06 0.31 -0.54 0.82 -1.07 0.00 0.00 179.97 179.55 1jqh h ILE 1045N 0.49 1.37 -0.91 2.04 2.04 -0.52 -2.54 117.51 119.48 1jqh h ILE 1045Ca 0.28 -1.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 1jqh h ILE 1045Cb 0.47 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.77 1jqh h ILE 1045CO -0.08 0.56 0.56 -0.08 0.00 0.00 0.00 178.15 179.11 1jqh h GLU 1046N 0.10 1.23 -0.22 2.37 4.81 0.54 0.24 114.58 123.65 1jqh h GLU 1046Ca -0.04 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1jqh h GLU 1046Cb 1.20 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1jqh h GLU 1046CO 0.11 0.85 0.12 0.35 -0.73 0.00 0.00 179.01 179.71 1jqh h PHE 1047N 1.25 0.23 -0.28 0.92 3.57 -0.49 -0.78 116.94 121.37 1jqh h PHE 1047Ca 0.33 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1jqh h PHE 1047Cb -0.07 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1jqh h PHE 1047CO 0.00 0.14 0.09 -0.07 -2.23 0.00 0.00 178.31 176.24 1jqh h LEU 1048N 0.26 0.40 -1.14 0.59 4.07 -0.76 -1.64 115.31 117.09 1jqh h LEU 1048Ca 0.08 -0.20 -0.08 0.00 0.08 0.00 0.00 57.88 57.76 1jqh h LEU 1048Cb -0.00 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1jqh h LEU 1048CO -0.04 0.50 -0.37 0.78 -1.08 0.00 0.00 178.44 178.23 1jqh h ASN 1049N 0.29 0.00 -0.06 -0.43 2.35 -0.47 -2.47 115.58 114.78 1jqh h ASN 1049Ca 0.09 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.66 1jqh h ASN 1049Cb 0.24 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.62 1jqh h ASN 1049CO -0.00 0.37 -0.66 -0.08 -1.65 0.00 0.00 177.43 175.41 1jqh h GLU 1050N 0.00 0.55 0.00 0.81 4.81 -0.98 -3.02 114.58 116.75 1jqh h GLU 1050Ca -0.00 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1jqh h GLU 1050Cb 0.78 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 1jqh h GLU 1050CO 0.05 1.14 -0.11 0.00 -0.73 0.00 0.00 179.01 179.36 1jqh h ALA 1051N 0.42 1.30 0.00 2.92 0.00 -1.21 -2.84 119.26 119.86 1jqh h ALA 1051Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jqh h ALA 1051Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1jqh h ALA 1051CO 0.13 0.13 0.00 0.77 0.00 0.00 0.00 179.25 180.29 1jqh h SER 1052N 0.00 0.00 -0.41 0.00 0.02 -1.31 -2.77 113.55 109.09 1jqh h SER 1052Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1jqh h SER 1052Cb 0.31 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1jqh h SER 1052CO 0.01 0.00 0.27 0.58 -1.14 0.00 0.00 176.83 176.56 1jqh h VAL 1053N 0.00 1.00 0.00 2.27 2.07 -1.59 -0.52 116.25 119.49 1jqh h VAL 1053Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1jqh h VAL 1053Cb 0.37 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1jqh h VAL 1053CO 0.00 0.07 0.00 0.23 0.02 0.00 0.00 177.57 177.89 1jqh n MET 1054N -4.48 0.19 0.14 1.57 2.81 -1.04 -2.69 117.12 113.62 1jqh n MET 1054Ca 0.05 0.38 0.04 0.00 -1.81 0.00 0.00 57.70 56.35 1jqh n MET 1054Cb 0.19 -1.84 0.46 0.00 -0.71 0.00 0.00 33.22 31.33 1jqh n MET 1054CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1jqh h LYS 1055N 0.00 0.22 0.00 0.03 1.57 -1.26 -2.51 116.57 114.62 1jqh h LYS 1055Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1jqh h LYS 1055Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1jqh h LYS 1055CO 0.00 0.27 -0.20 1.49 -0.57 0.00 0.00 179.45 180.44 1jqh h GLU 1056N 0.22 0.00 -5.97 3.15 4.81 -1.66 -3.45 114.58 111.67 1jqh h GLU 1056Ca 0.05 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.62 1jqh h GLU 1056Cb 0.21 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 1jqh h GLU 1056CO 0.01 0.20 -0.58 -0.06 -0.73 0.00 0.00 179.01 177.86 1jqh s PHE 1057N -3.57 3.29 -0.37 0.92 0.08 -0.95 -5.07 117.98 112.31 1jqh s PHE 1057Ca 0.01 0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.32 1jqh s PHE 1057Cb 0.10 -1.76 0.16 0.00 -0.57 0.00 0.00 43.02 40.94 1jqh s PHE 1057CO 0.63 0.55 0.39 1.21 -0.10 0.00 0.00 175.22 177.91 1jqh s ASN 1058N -1.57 1.03 0.02 1.36 2.47 -1.26 -4.86 114.94 112.13 1jqh s ASN 1058Ca 0.21 -1.54 0.02 0.00 0.42 0.00 0.00 52.86 51.97 1jqh s ASN 1058Cb -0.12 0.63 -0.01 0.00 -1.45 0.00 0.00 41.25 40.29 1jqh s ASN 1058CO 0.12 -0.26 -0.06 0.00 -3.72 0.00 0.00 177.10 173.18 1jqh h HIS 1060N 5.20 0.00 -0.77 0.00 2.76 -1.98 -2.83 115.15 117.52 1jqh h HIS 1060Ca -0.32 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.56 1jqh h HIS 1060Cb 1.20 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.99 1jqh h HIS 1060CO 0.54 0.22 0.37 0.72 -1.30 0.00 0.00 177.93 178.48 1jqh n HIS 1061N -4.20 2.51 -4.05 5.26 8.25 -1.26 -4.80 115.22 116.92 1jqh n HIS 1061Ca -0.02 -1.32 -0.18 0.00 -0.26 0.00 0.00 57.72 55.93 1jqh n HIS 1061Cb 0.28 -0.74 -0.16 0.00 1.12 0.00 0.00 29.99 30.49 1jqh n HIS 1061CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jqh s VAL 1062N -2.91 0.35 0.24 1.59 1.01 -1.07 -2.17 120.40 117.45 1jqh s VAL 1062Ca 0.52 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.17 1jqh s VAL 1062Cb 0.42 -0.41 -0.12 0.00 0.00 0.00 0.00 36.38 36.27 1jqh s VAL 1062CO 0.12 0.18 1.59 0.52 0.00 0.00 0.00 175.10 177.51 1jqh n VAL 1063N 4.06 0.61 -3.67 2.92 0.31 0.17 -4.59 118.33 118.15 1jqh n VAL 1063Ca -0.26 -0.15 -0.36 0.00 -0.01 0.00 0.00 64.34 63.56 1jqh n VAL 1063Cb 0.51 -1.81 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 1jqh n VAL 1063CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1jqh s ARG 1064N 0.13 3.69 0.03 5.55 3.52 -1.26 -4.65 118.95 125.96 1jqh s ARG 1064Ca 0.70 0.10 -0.23 0.00 -0.13 0.00 0.00 55.73 56.17 1jqh s ARG 1064Cb -0.55 -3.11 -0.06 0.00 -1.56 0.00 0.00 34.95 29.67 1jqh s ARG 1064CO 0.43 0.66 0.68 -1.17 -0.81 0.00 0.00 175.30 175.09 1jqh s LEU 1065N -1.51 4.44 -0.01 -0.88 2.96 -1.26 0.64 118.68 123.05 1jqh s LEU 1065Ca 0.26 1.32 0.10 0.00 -0.22 0.00 0.00 54.13 55.59 1jqh s LEU 1065Cb -0.14 -3.08 -0.16 0.00 0.50 0.00 0.00 46.19 43.31 1jqh s LEU 1065CO 0.14 0.07 0.25 0.18 -1.32 0.00 0.00 176.35 175.67 1jqh n LEU 1066N 2.70 0.06 0.00 -0.68 4.77 0.18 -4.88 117.00 119.14 1jqh n LEU 1066Ca -0.05 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1jqh n LEU 1066Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1jqh n LEU 1066CO 0.45 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1jqh n GLY 1067N 1.83 -0.97 3.20 -0.72 0.00 -1.05 -4.93 105.19 102.55 1jqh n GLY 1067Ca -0.01 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1jqh n GLY 1067CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jqh s VAL 1068N -2.00 0.07 -0.43 1.61 0.11 -0.60 -1.23 120.40 117.93 1jqh s VAL 1068Ca 0.00 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1jqh s VAL 1068Cb 0.00 -0.66 0.13 0.00 -1.53 0.00 0.00 36.38 34.32 1jqh s VAL 1068CO 0.00 -0.33 0.22 -0.69 -3.33 0.00 0.00 175.10 170.97 1jqh s VAL 1069N -1.67 1.46 -0.12 2.04 1.01 -0.89 -0.55 120.40 121.68 1jqh s VAL 1069Ca -0.12 -2.51 0.19 0.00 0.00 0.00 0.00 61.98 59.54 1jqh s VAL 1069Cb -0.05 -2.03 -0.22 0.00 0.00 0.00 0.00 36.38 34.08 1jqh s VAL 1069CO 0.02 -0.86 0.53 -1.54 0.00 0.00 0.00 175.10 173.25 1jqh n SER 1070N 3.63 0.37 -4.55 3.32 3.41 -1.26 -2.04 113.62 116.50 1jqh n SER 1070Ca 0.07 0.16 -0.43 0.00 -0.26 0.00 0.00 58.87 58.42 1jqh n SER 1070Cb 0.35 0.97 -0.03 0.00 -0.26 0.00 0.00 64.21 65.24 1jqh n SER 1070CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jqh s GLN 1071N -3.02 3.43 0.00 4.33 -1.52 -1.26 -4.87 119.66 116.75 1jqh s GLN 1071Ca -0.06 0.02 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 1jqh s GLN 1071Cb 0.10 -4.03 0.00 0.00 -0.22 0.00 0.00 33.01 28.86 1jqh s GLN 1071CO 0.84 -1.57 0.00 0.41 -0.25 0.00 0.00 175.29 174.72 1jqh n GLY 1072N 5.08 2.35 3.73 3.09 0.00 -1.26 -4.98 105.19 113.21 1jqh n GLY 1072Ca 0.05 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1jqh n GLY 1072CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jqh s GLN 1073N -3.26 4.40 0.00 1.61 -1.52 -1.26 -3.91 119.66 115.71 1jqh s GLN 1073Ca 0.00 1.99 0.00 0.00 -1.95 0.00 0.00 55.36 55.40 1jqh s GLN 1073Cb 0.00 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 1jqh s GLN 1073CO 0.00 -0.26 0.00 -2.30 -0.25 0.00 0.00 175.29 172.48 1jqh n PRO 1074N 3.06 0.00 -1.64 2.91 -0.02 -1.26 -5.06 135.00 132.98 1jqh n PRO 1074Ca 0.07 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.10 1jqh n PRO 1074Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.88 1jqh n PRO 1074CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jqh n THR 1075N 0.00 0.60 -4.56 3.45 -1.04 -1.25 -4.93 114.28 106.55 1jqh n THR 1075Ca 0.00 -0.19 -0.28 0.00 -2.04 0.00 0.00 64.05 61.54 1jqh n THR 1075Cb 0.00 -2.18 -0.10 0.00 -1.82 0.00 0.00 70.33 66.22 1jqh n THR 1075CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1jqh s LEU 1076N 5.20 2.86 -0.19 -4.42 1.43 -0.86 -3.20 118.68 119.50 1jqh s LEU 1076Ca 0.94 -1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1jqh s LEU 1076Cb -0.52 -0.96 0.08 0.00 0.03 0.00 0.00 46.19 44.82 1jqh s LEU 1076CO 0.44 -0.50 0.41 -0.69 0.23 0.00 0.00 176.35 176.24 1jqh s VAL 1077N -2.71 -0.52 -0.26 -1.59 1.01 -0.73 -2.10 120.40 113.51 1jqh s VAL 1077Ca 0.33 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 1jqh s VAL 1077Cb 0.08 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1jqh s VAL 1077CO 0.17 0.07 0.24 -0.63 0.00 0.00 0.00 175.10 174.95 1jqh s ILE 1078N 2.37 5.29 0.22 2.22 1.09 -0.37 -1.31 121.20 130.71 1jqh s ILE 1078Ca -0.03 0.32 0.11 0.00 -1.10 0.00 0.00 60.65 59.94 1jqh s ILE 1078Cb -0.11 -3.58 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 1jqh s ILE 1078CO -0.13 0.26 -0.16 -0.04 -0.10 0.00 0.00 174.94 174.78 1jqh s MET 1079N 1.53 1.82 0.36 2.79 -1.94 -0.08 0.49 119.30 124.28 1jqh s MET 1079Ca 0.10 -1.50 -0.28 0.00 -1.71 0.00 0.00 55.69 52.30 1jqh s MET 1079Cb -0.15 -1.96 -0.11 0.00 2.01 0.00 0.00 34.83 34.62 1jqh s MET 1079CO 0.08 0.39 1.45 -1.91 -0.01 0.00 0.00 175.02 175.01 1jqh n GLU 1080N -0.19 2.54 -2.96 2.03 2.13 0.21 -1.14 120.64 123.26 1jqh n GLU 1080Ca -0.09 0.89 -0.41 0.00 0.66 0.00 0.00 57.16 58.21 1jqh n GLU 1080Cb 0.57 -2.59 -0.04 0.00 0.27 0.00 0.00 31.44 29.65 1jqh n GLU 1080CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1jqh s LEU 1081N -1.73 4.25 -0.67 4.31 0.20 -1.26 -4.46 118.68 119.32 1jqh s LEU 1081Ca 0.54 1.20 0.04 0.00 0.69 0.00 0.00 54.13 56.60 1jqh s LEU 1081Cb -0.50 -3.18 0.16 0.00 -0.43 0.00 0.00 46.19 42.25 1jqh s LEU 1081CO 0.63 -0.26 0.45 -0.04 -0.29 0.00 0.00 176.35 176.84 1jqh s MET 1082N 1.46 2.41 0.56 1.98 -1.94 -1.26 -4.77 119.30 117.74 1jqh s MET 1082Ca 0.39 -3.11 0.30 0.00 -1.71 0.00 0.00 55.69 51.56 1jqh s MET 1082Cb -0.17 -3.46 1.46 0.00 2.01 0.00 0.00 34.83 34.66 1jqh s MET 1082CO 0.16 -1.23 1.87 1.79 -0.01 0.00 0.00 175.02 177.60 1jqh h THR 1083N 4.71 0.44 -0.08 2.05 1.35 -1.88 -2.14 112.91 117.37 1jqh h THR 1083Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1jqh h THR 1083Cb 0.81 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1jqh h THR 1083CO 0.72 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.53 1jqh n ARG 1084N -3.97 1.59 0.00 4.72 1.74 -0.45 -4.97 116.66 115.32 1jqh n ARG 1084Ca 0.14 -0.87 0.00 0.00 -0.77 0.00 0.00 57.85 56.35 1jqh n ARG 1084Cb 0.85 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 1jqh n ARG 1084CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jqh n GLY 1085N 1.11 -1.47 3.81 -0.13 0.00 -0.80 -4.49 105.19 103.21 1jqh n GLY 1085Ca 0.18 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 1jqh n GLY 1085CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jqh s ASP 1086N -4.00 6.11 0.25 1.61 -4.77 -1.26 0.54 116.67 115.15 1jqh s ASP 1086Ca 0.00 1.81 -0.04 0.00 -3.30 0.00 0.00 52.55 51.02 1jqh s ASP 1086Cb 0.00 -2.54 0.41 0.00 -1.09 0.00 0.00 42.92 39.70 1jqh s ASP 1086CO 0.00 -0.94 1.81 0.25 0.70 0.00 0.00 175.17 176.99 1jqh h LEU 1087N 0.88 0.71 0.19 2.11 5.85 -0.60 -1.36 115.31 123.08 1jqh h LEU 1087Ca -0.48 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1jqh h LEU 1087Cb 1.21 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1jqh h LEU 1087CO 0.59 0.40 -0.23 0.50 -0.34 0.00 0.00 178.44 179.36 1jqh h LYS 1088N 0.82 -0.45 -0.60 1.25 3.64 -1.77 0.64 116.57 120.10 1jqh h LYS 1088Ca 0.40 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.84 1jqh h LYS 1088Cb 0.36 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1jqh h LYS 1088CO -0.24 -0.30 0.39 0.77 -2.27 0.00 0.00 179.45 177.80 1jqh h SER 1089N -0.47 0.63 -0.44 4.20 0.02 -1.80 -0.32 113.55 115.37 1jqh h SER 1089Ca 0.01 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1jqh h SER 1089Cb 0.45 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1jqh h SER 1089CO -0.08 0.44 -0.16 0.22 -1.14 0.00 0.00 176.83 176.12 1jqh h TYR 1090N 0.74 1.05 -0.29 3.45 3.20 -0.63 -2.33 116.97 122.16 1jqh h TYR 1090Ca 0.23 -0.23 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1jqh h TYR 1090Cb 0.02 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 1jqh h TYR 1090CO -0.00 1.01 -0.35 -0.07 -1.64 0.00 0.00 178.16 177.11 1jqh h LEU 1091N 0.82 0.81 -2.17 2.82 3.38 0.11 -2.66 115.31 118.43 1jqh h LEU 1091Ca 0.12 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1jqh h LEU 1091Cb 0.71 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jqh h LEU 1091CO 0.05 1.14 -0.06 0.03 0.09 0.00 0.00 178.44 179.69 1jqh h ARG 1092N 0.50 0.00 0.00 1.13 2.47 -1.06 -2.12 114.38 115.31 1jqh h ARG 1092Ca 0.04 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 1jqh h ARG 1092Cb 0.93 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 1jqh h ARG 1092CO 0.08 0.06 -0.29 1.03 0.56 0.00 0.00 179.97 181.42 1jqh h SER 1093N 0.00 0.00 0.69 7.04 0.87 -1.05 -2.38 113.55 118.72 1jqh h SER 1093Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1jqh h SER 1093Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1jqh h SER 1093CO 0.01 0.29 -0.44 0.18 -0.53 0.00 0.00 176.83 176.33 1jqh n LEU 1094N -3.67 0.48 -4.20 2.23 4.77 -0.80 -4.93 117.00 110.87 1jqh n LEU 1094Ca -0.01 0.15 -0.57 0.00 -0.03 0.00 0.00 56.01 55.56 1jqh n LEU 1094Cb 0.40 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1jqh n LEU 1094CO 0.35 0.05 0.67 0.54 -1.33 0.00 0.00 177.39 177.67 1jqh n ARG 1095N -1.67 0.00 0.04 3.23 5.12 -0.90 -4.71 116.66 117.76 1jqh n ARG 1095Ca 0.05 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.99 1jqh n ARG 1095Cb 0.36 -1.38 0.09 0.00 -1.16 0.00 0.00 32.46 30.37 1jqh n ARG 1095CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1jqh n PRO 1096N 2.00 0.02 -1.76 5.56 -0.04 -1.26 -5.10 135.00 134.42 1jqh n PRO 1096Ca 0.21 0.38 -0.37 0.00 -0.04 0.00 0.00 63.50 63.69 1jqh n PRO 1096Cb 0.04 -1.77 0.02 0.00 -0.04 0.00 0.00 33.50 31.76 1jqh n PRO 1096CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jqh n GLU 1097N -1.49 2.66 -3.57 0.54 -0.58 -1.26 -5.17 120.64 111.77 1jqh n GLU 1097Ca -0.00 -3.23 -0.29 0.00 -0.42 0.00 0.00 57.16 53.22 1jqh n GLU 1097Cb 0.20 -2.23 -0.12 0.00 -0.57 0.00 0.00 31.44 28.71 1jqh n GLU 1097CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1jqh s VAL 1103N -4.44 0.68 0.39 2.62 1.01 -1.26 -5.14 120.40 114.27 1jqh s VAL 1103Ca 0.54 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1jqh s VAL 1103Cb 0.43 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1jqh s VAL 1103CO -0.34 -0.95 0.60 -0.76 0.00 0.00 0.00 175.10 173.65 1jqh s LEU 1104N 0.76 3.87 0.35 3.92 2.01 -1.26 -5.07 118.68 123.25 1jqh s LEU 1104Ca 0.18 0.43 -0.27 0.00 0.01 0.00 0.00 54.13 54.48 1jqh s LEU 1104Cb -0.23 -3.30 -0.09 0.00 0.01 0.00 0.00 46.19 42.57 1jqh s LEU 1104CO 0.00 -0.45 1.12 0.00 1.01 0.00 0.00 176.35 178.04 1jqh s ALA 1105N -2.42 3.27 1.22 4.21 0.00 -1.26 -5.04 121.76 121.74 1jqh s ALA 1105Ca 0.43 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 53.16 1jqh s ALA 1105Cb -0.10 -3.34 0.20 0.00 0.00 0.00 0.00 23.12 19.88 1jqh s ALA 1105CO 0.37 -0.32 0.55 -2.30 0.00 0.00 0.00 175.76 174.07 1jqh n PRO 1106N 0.55 -3.09 -3.33 0.00 -0.02 -1.26 -4.87 135.00 122.98 1jqh n PRO 1106Ca 0.02 -0.90 -0.38 0.00 -2.02 0.00 0.00 63.50 60.22 1jqh n PRO 1106Cb 0.46 -1.02 -0.06 0.00 -0.02 0.00 0.00 33.50 32.86 1jqh n PRO 1106CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1jqh s PRO 1107N -4.28 4.18 0.67 0.52 0.02 -1.26 -5.01 135.00 129.85 1jqh s PRO 1107Ca 0.39 0.59 -0.11 0.00 0.02 0.00 0.00 61.00 61.89 1jqh s PRO 1107Cb -0.06 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 31.16 1jqh s PRO 1107CO 0.32 0.49 1.06 -1.54 -0.33 0.00 0.00 177.00 176.99 1jqh s SER 1108N -0.52 5.68 0.28 2.53 1.04 -1.26 -4.78 113.70 116.67 1jqh s SER 1108Ca 0.27 1.42 0.01 0.00 0.48 0.00 0.00 55.95 58.14 1jqh s SER 1108Cb -0.18 -2.35 0.66 0.00 0.10 0.00 0.00 66.02 64.26 1jqh s SER 1108CO 0.15 -1.23 1.67 0.25 0.98 0.00 0.00 173.24 175.07 1jqh h LEU 1109N -0.57 0.13 -0.13 2.42 7.12 -1.99 0.12 115.31 122.41 1jqh h LEU 1109Ca -0.44 0.17 0.02 0.00 0.13 0.00 0.00 57.88 57.75 1jqh h LEU 1109Cb 1.21 0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 41.53 1jqh h LEU 1109CO 0.60 -0.07 0.02 -1.28 -0.13 0.00 0.00 178.44 177.58 1jqh h SER 1110N 0.29 -0.01 -0.10 1.25 0.87 -1.94 -0.45 113.55 113.46 1jqh h SER 1110Ca 0.53 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 61.13 1jqh h SER 1110Cb 1.01 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1jqh h SER 1110CO -0.58 0.02 -0.04 0.11 -0.53 0.00 0.00 176.83 175.81 1jqh h LYS 1111N 0.07 -0.02 -0.78 2.24 1.79 -1.16 -2.25 116.57 116.46 1jqh h LYS 1111Ca 0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1jqh h LYS 1111Cb 0.06 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 1jqh h LYS 1111CO -0.08 -0.02 0.47 0.52 -1.08 0.00 0.00 179.45 179.26 1jqh h MET 1112N -0.02 1.06 -0.13 3.15 2.86 -1.05 -1.70 114.93 119.10 1jqh h MET 1112Ca 0.06 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1jqh h MET 1112Cb 0.11 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1jqh h MET 1112CO -0.12 0.75 -0.01 0.82 1.06 0.00 0.00 176.91 179.41 1jqh h ILE 1113N 1.07 1.09 0.29 -1.22 1.08 -0.86 -0.54 117.51 118.43 1jqh h ILE 1113Ca 0.28 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1jqh h ILE 1113Cb -0.03 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1jqh h ILE 1113CO -0.05 0.12 -0.14 -0.61 -0.69 0.00 0.00 178.15 176.78 1jqh h GLN 1114N 0.18 -0.38 -0.57 2.37 5.75 -0.72 -0.86 115.11 120.87 1jqh h GLN 1114Ca 0.04 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 1jqh h GLN 1114Cb 0.15 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.72 1jqh h GLN 1114CO 0.00 -0.04 0.23 0.52 -2.65 0.00 0.00 178.83 176.89 1jqh h MET 1115N -0.82 0.42 -0.84 1.69 2.86 -1.16 0.32 114.93 117.40 1jqh h MET 1115Ca -0.04 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1jqh h MET 1115Cb 0.52 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1jqh h MET 1115CO 0.07 0.28 0.52 0.00 1.06 0.00 0.00 176.91 178.84 1jqh h ALA 1116N 1.37 1.34 -0.34 6.32 0.00 -1.11 0.63 119.26 127.48 1jqh h ALA 1116Ca 0.28 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1jqh h ALA 1116Cb 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jqh h ALA 1116CO -0.26 0.58 -0.36 0.78 0.00 0.00 0.00 179.25 179.99 1jqh h GLY 1117N 1.16 0.85 0.78 0.00 0.00 0.29 -0.56 103.07 105.59 1jqh h GLY 1117Ca 0.30 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1jqh h GLY 1117CO -0.06 0.76 -0.09 0.83 0.00 0.00 0.00 176.54 177.97 1jqh h GLU 1118N 0.65 0.38 -0.34 4.80 5.08 -0.54 -0.57 114.58 124.03 1jqh h GLU 1118Ca 0.06 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1jqh h GLU 1118Cb 0.91 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1jqh h GLU 1118CO 0.08 0.69 0.14 0.82 -1.00 0.00 0.00 179.01 179.74 1jqh h ILE 1119N 0.06 1.18 -0.28 3.13 2.04 -0.87 -1.83 117.51 120.94 1jqh h ILE 1119Ca 0.04 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1jqh h ILE 1119Cb 0.58 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1jqh h ILE 1119CO 0.03 0.20 -0.01 0.00 0.00 0.00 0.00 178.15 178.36 1jqh h ALA 1120N 0.99 1.45 -0.35 1.87 0.00 -1.08 -1.46 119.26 120.68 1jqh h ALA 1120Ca 0.11 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1jqh h ALA 1120Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jqh h ALA 1120CO -0.01 0.39 -0.16 0.22 0.00 0.00 0.00 179.25 179.69 1jqh h ASP 1121N 0.42 0.74 0.08 0.00 3.58 -0.71 0.53 116.42 121.06 1jqh h ASP 1121Ca 0.09 -0.40 -0.10 0.00 0.42 0.00 0.00 57.03 57.04 1jqh h ASP 1121Cb 0.30 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1jqh h ASP 1121CO 0.01 0.98 -0.33 1.23 -2.88 0.00 0.00 179.24 178.25 1jqh h GLY 1122N 0.50 0.39 1.47 -0.78 0.00 -1.06 -2.06 103.07 101.53 1jqh h GLY 1122Ca 0.08 -0.34 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 1jqh h GLY 1122CO 0.05 0.31 -0.74 -0.33 0.00 0.00 0.00 176.54 175.83 1jqh h MET 1123N 0.31 0.52 -0.66 4.80 2.86 -1.10 -1.47 114.93 120.19 1jqh h MET 1123Ca 0.04 -0.42 -0.08 0.00 -2.06 0.00 0.00 59.70 57.18 1jqh h MET 1123Cb 0.73 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 1jqh h MET 1123CO 0.06 1.05 0.11 0.00 1.06 0.00 0.00 176.91 179.18 1jqh h ALA 1124N 0.83 0.88 0.21 6.32 0.00 -0.74 0.12 119.26 126.88 1jqh h ALA 1124Ca -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1jqh h ALA 1124Cb 1.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1jqh h ALA 1124CO 0.13 0.65 -0.10 -0.92 0.00 0.00 0.00 179.25 179.01 1jqh h TYR 1125N 1.02 -0.26 -0.14 0.00 3.20 -1.28 0.18 116.97 119.69 1jqh h TYR 1125Ca 0.20 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 1jqh h TYR 1125Cb 0.44 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1jqh h TYR 1125CO 0.03 -0.11 0.01 -0.07 -1.64 0.00 0.00 178.16 176.38 1jqh h LEU 1126N -0.34 -0.04 -1.16 2.82 3.38 -1.08 -0.89 115.31 118.00 1jqh h LEU 1126Ca -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jqh h LEU 1126Cb 0.26 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1jqh h LEU 1126CO 0.05 0.00 0.34 0.78 0.09 0.00 0.00 178.44 179.70 1jqh h ASN 1127N 0.06 0.83 0.04 -0.43 -0.26 -0.67 -0.68 115.58 114.47 1jqh h ASN 1127Ca 0.06 -0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1jqh h ASN 1127Cb 0.07 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1jqh h ASN 1127CO -0.10 0.69 -0.10 0.00 -1.06 0.00 0.00 177.43 176.86 1jqh h ALA 1128N 1.45 1.67 -0.65 -0.83 0.00 -0.03 -1.75 119.26 119.12 1jqh h ALA 1128Ca 0.23 -0.14 -0.37 0.00 0.00 0.00 0.00 54.91 54.63 1jqh h ALA 1128Cb 0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 17.59 1jqh h ALA 1128CO -0.03 0.24 0.47 0.09 0.00 0.00 0.00 179.25 180.02 1jqh n ASN 1129N -4.35 4.44 -3.89 0.00 3.02 -0.33 -4.89 115.26 109.26 1jqh n ASN 1129Ca -0.01 -3.12 -0.26 0.00 -0.03 0.00 0.00 54.58 51.15 1jqh n ASN 1129Cb 0.21 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1jqh n ASN 1129CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jqh n LYS 1130N -0.44 -4.20 -4.47 3.52 4.76 -0.66 -4.91 118.16 111.77 1jqh n LYS 1130Ca 0.40 0.51 -0.23 0.00 -2.87 0.00 0.00 58.31 56.11 1jqh n LYS 1130Cb 1.08 -4.97 -0.16 0.00 -1.84 0.00 0.00 35.03 29.14 1jqh n LYS 1130CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1jqh s PHE 1131N -3.68 1.22 -0.31 2.13 2.19 -0.80 -0.16 117.98 118.57 1jqh s PHE 1131Ca 0.20 -0.41 -0.04 0.00 0.33 0.00 0.00 56.93 57.00 1jqh s PHE 1131Cb -0.10 -0.92 0.04 0.00 -1.31 0.00 0.00 43.02 40.72 1jqh s PHE 1131CO 0.86 -0.23 0.05 0.08 1.83 0.00 0.00 175.22 177.81 1jqh s VAL 1132N 0.64 3.46 0.13 3.12 1.01 0.20 -3.47 120.40 125.48 1jqh s VAL 1132Ca -0.12 -1.12 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1jqh s VAL 1132Cb -0.14 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 1jqh s VAL 1132CO 0.02 -0.06 1.59 -0.74 0.00 0.00 0.00 175.10 175.91 1jqh h HIS 1133N 8.13 -1.16 0.00 5.22 2.76 -1.92 0.26 115.15 128.44 1jqh h HIS 1133Ca -0.25 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 1jqh h HIS 1133Cb 1.09 0.52 0.00 0.00 1.55 0.00 0.00 27.41 30.56 1jqh h HIS 1133CO 0.60 -0.48 0.00 0.54 -1.30 0.00 0.00 177.93 177.29 1jqh n ARG 1134N -5.44 0.00 -2.72 5.26 1.74 -1.26 -1.79 116.66 112.44 1jqh n ARG 1134Ca -0.05 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.99 1jqh n ARG 1134Cb 0.36 -2.69 0.08 0.00 -1.02 0.00 0.00 32.46 29.18 1jqh n ARG 1134CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1jqh n ASP 1135N 0.00 0.18 -4.70 0.55 2.03 -1.26 -4.81 116.55 108.54 1jqh n ASP 1135Ca 0.00 -2.35 -0.42 0.00 0.52 0.00 0.00 54.79 52.54 1jqh n ASP 1135Cb 0.00 0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1jqh n ASP 1135CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1jqh s LEU 1136N -3.55 4.33 0.05 -2.67 2.96 -1.26 -4.80 118.68 113.74 1jqh s LEU 1136Ca 0.22 1.92 -0.27 0.00 -0.22 0.00 0.00 54.13 55.79 1jqh s LEU 1136Cb 0.40 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.61 1jqh s LEU 1136CO -0.05 -0.52 0.72 0.00 -1.32 0.00 0.00 176.35 175.19 1jqh s ALA 1137N 1.58 -1.72 0.32 5.97 0.00 -1.26 -4.80 121.76 121.85 1jqh s ALA 1137Ca 0.57 0.88 0.06 0.00 0.00 0.00 0.00 51.96 53.48 1jqh s ALA 1137Cb -0.27 0.46 0.74 0.00 0.00 0.00 0.00 23.12 24.05 1jqh s ALA 1137CO 0.26 -0.63 1.82 0.00 0.00 0.00 0.00 175.76 177.21 1jqh h ALA 1138N 2.24 1.72 0.00 0.00 0.00 -1.93 0.15 119.26 121.45 1jqh h ALA 1138Ca -0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jqh h ALA 1138Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1jqh h ALA 1138CO 0.36 -0.03 0.00 0.07 0.00 0.00 0.00 179.25 179.65 1jqh h ARG 1139N 0.78 0.00 -0.69 0.00 0.11 -1.93 -2.21 114.38 110.44 1jqh h ARG 1139Ca 0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.60 1jqh h ARG 1139Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1jqh h ARG 1139CO -0.29 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.87 1jqh n ASN 1140N -2.72 4.60 -4.53 0.08 3.02 0.54 -4.71 115.26 111.54 1jqh n ASN 1140Ca -0.01 -2.32 -0.26 0.00 -0.03 0.00 0.00 54.58 51.96 1jqh n ASN 1140Cb 0.14 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.65 1jqh n ASN 1140CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jqh s MET 1142N -2.90 1.51 -0.15 0.00 -1.94 0.28 -0.50 119.30 115.61 1jqh s MET 1142Ca 0.25 -1.56 0.02 0.00 -1.71 0.00 0.00 55.69 52.68 1jqh s MET 1142Cb -0.08 -1.71 0.01 0.00 2.01 0.00 0.00 34.83 35.05 1jqh s MET 1142CO 0.14 0.35 -0.20 0.08 -0.01 0.00 0.00 175.02 175.38 1jqh s VAL 1143N -1.97 2.17 0.71 -6.03 1.01 0.19 -0.68 120.40 115.80 1jqh s VAL 1143Ca 0.22 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1jqh s VAL 1143Cb -0.07 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.48 1jqh s VAL 1143CO 0.10 0.54 1.05 0.00 0.00 0.00 0.00 175.10 176.79 1jqh s ALA 1144N 0.90 3.01 0.36 5.51 0.00 0.03 -1.34 121.76 130.23 1jqh s ALA 1144Ca -0.05 -0.70 0.11 0.00 0.00 0.00 0.00 51.96 51.32 1jqh s ALA 1144Cb -0.15 -2.77 0.88 0.00 0.00 0.00 0.00 23.12 21.08 1jqh s ALA 1144CO -0.03 -1.27 1.83 1.49 0.00 0.00 0.00 175.76 177.78 1jqh h GLU 1145N -0.64 0.61 -0.72 0.00 4.57 -1.89 0.37 114.58 116.87 1jqh h GLU 1145Ca -0.45 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1jqh h GLU 1145Cb 1.30 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1jqh h GLU 1145CO 0.62 0.40 0.00 -0.40 -1.18 0.00 0.00 179.01 178.46 1jqh n ASP 1146N -4.61 3.78 0.00 1.04 5.75 -1.26 -4.89 116.55 116.35 1jqh n ASP 1146Ca 0.20 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.46 1jqh n ASP 1146Cb 0.59 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1jqh n ASP 1146CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1jqh n PHE 1147N 0.42 0.00 -2.35 2.11 3.72 0.13 -4.99 117.46 116.50 1jqh n PHE 1147Ca 0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1jqh n PHE 1147Cb 0.79 -0.90 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 1jqh n PHE 1147CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1jqh s THR 1148N -1.55 3.79 -0.07 4.37 2.01 -1.26 -4.71 115.64 118.21 1jqh s THR 1148Ca 0.00 1.30 -0.11 0.00 0.31 0.00 0.00 61.69 63.18 1jqh s THR 1148Cb 0.00 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1jqh s THR 1148CO 0.00 0.11 0.28 -0.69 -0.69 0.00 0.00 174.62 173.63 1jqh s VAL 1149N 0.98 5.27 0.07 3.82 1.01 -1.26 -0.79 120.40 129.50 1jqh s VAL 1149Ca 0.60 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 63.11 1jqh s VAL 1149Cb -0.32 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1jqh s VAL 1149CO 0.30 0.57 -0.02 -0.54 0.00 0.00 0.00 175.10 175.40 1jqh s LYS 1150N -0.81 0.70 -0.14 2.72 1.02 0.15 -4.46 119.74 118.92 1jqh s LYS 1150Ca 0.19 -1.27 -0.27 0.00 0.02 0.00 0.00 55.97 54.63 1jqh s LYS 1150Cb -0.14 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.30 1jqh s LYS 1150CO 0.08 -0.12 0.92 0.42 -0.92 0.00 0.00 175.35 175.73 1jqh s ILE 1151N -3.89 4.83 0.92 2.17 1.01 -0.92 0.10 121.20 125.42 1jqh s ILE 1151Ca 0.10 1.84 -0.11 0.00 0.00 0.00 0.00 60.65 62.48 1jqh s ILE 1151Cb 0.08 -4.22 0.14 0.00 0.01 0.00 0.00 42.46 38.46 1jqh s ILE 1151CO -0.07 0.01 1.09 -0.83 0.00 0.00 0.00 174.94 175.14 1jqh s GLY 1152N 1.12 1.63 0.68 6.18 0.00 -0.21 -0.66 107.32 116.06 1jqh s GLY 1152Ca 0.43 0.11 -0.17 0.00 0.00 0.00 0.00 44.72 45.09 1jqh s GLY 1152CO 0.15 0.59 1.24 2.09 0.00 0.00 0.00 173.10 177.17 1jqh n ASP 1153N -4.05 1.71 -3.46 1.64 5.68 -1.26 -4.76 116.55 112.05 1jqh n ASP 1153Ca 0.08 0.77 -0.18 0.00 -0.50 0.00 0.00 54.79 54.95 1jqh n ASP 1153Cb 0.54 -1.53 -0.08 0.00 -1.14 0.00 0.00 41.12 38.91 1jqh n ASP 1153CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1jqh s PHE 1154N -1.56 1.67 0.47 2.11 -0.71 -1.26 -5.10 117.98 113.60 1jqh s PHE 1154Ca 0.80 -1.62 0.07 0.00 -1.04 0.00 0.00 56.93 55.14 1jqh s PHE 1154Cb -0.36 -0.68 0.01 0.00 -1.21 0.00 0.00 43.02 40.77 1jqh s PHE 1154CO 0.43 -0.85 0.43 0.20 -1.34 0.00 0.00 175.22 174.10 1jqh s GLY 1155N -3.34 2.15 -0.03 1.99 0.00 -1.26 -4.73 107.32 102.09 1jqh s GLY 1155Ca 0.40 -1.76 -0.17 0.00 0.00 0.00 0.00 44.72 43.19 1jqh s GLY 1155CO 0.26 -1.76 0.37 -0.29 0.00 0.00 0.00 173.10 171.68 1jqh s MET 1156N -4.23 0.71 0.00 2.90 1.75 -1.26 -4.02 119.30 115.14 1jqh s MET 1156Ca 0.46 -0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.83 1jqh s MET 1156Cb -0.03 0.32 0.00 0.00 2.84 0.00 0.00 34.83 37.96 1jqh s MET 1156CO 0.27 -0.20 0.00 2.41 -0.65 0.00 0.00 175.02 176.86 1jqh n THR 1157N 1.33 0.00 -1.38 10.11 -1.04 -1.10 -5.04 114.28 117.16 1jqh n THR 1157Ca -0.21 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 61.98 1jqh n THR 1157Cb 0.56 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.01 1jqh n THR 1157CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jqh n TYR 1165N 0.00 -3.52 -2.86 -1.42 -0.00 -1.26 -4.71 117.16 103.40 1jqh n TYR 1165Ca 0.00 1.80 -0.42 0.00 -0.00 0.00 0.00 57.90 59.28 1jqh n TYR 1165Cb 0.00 -3.20 -0.04 0.00 -0.00 0.00 0.00 39.34 36.10 1jqh n TYR 1165CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1jqh s TYR 1166N -2.74 3.31 0.44 2.98 2.02 -1.26 -4.89 117.35 117.20 1jqh s TYR 1166Ca 0.00 1.17 -0.22 0.00 -0.37 0.00 0.00 57.07 57.65 1jqh s TYR 1166Cb 0.00 -3.09 -0.09 0.00 -0.40 0.00 0.00 41.96 38.38 1jqh s TYR 1166CO 0.00 -0.42 1.01 1.03 -1.57 0.00 0.00 175.55 175.60 1jqh s ARG 1167N 2.90 4.06 -0.10 -0.62 3.00 0.78 -4.84 118.95 124.13 1jqh s ARG 1167Ca 0.36 1.32 0.02 0.00 0.00 0.00 0.00 55.73 57.43 1jqh s ARG 1167Cb -0.15 -2.26 -0.02 0.00 0.00 0.00 0.00 34.95 32.52 1jqh s ARG 1167CO 0.07 -0.20 -0.16 0.15 0.00 0.00 0.00 175.30 175.17 1jqh s LYS 1168N -2.98 3.00 0.00 3.54 -0.14 -1.26 0.61 119.74 122.51 1jqh s LYS 1168Ca 0.62 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 54.51 1jqh s LYS 1168Cb -0.15 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.52 1jqh s LYS 1168CO 0.20 0.35 0.00 0.41 -0.76 0.00 0.00 175.35 175.55 1jqh n GLY 1169N 3.09 1.50 0.00 -3.33 0.00 0.90 -2.73 105.19 104.63 1jqh n GLY 1169Ca -0.18 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1jqh n GLY 1169CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqh n GLY 1170N 5.00 -2.31 3.36 -0.02 0.00 -0.74 -4.74 105.19 105.74 1jqh n GLY 1170Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1jqh n GLY 1170CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jqh s LYS 1171N -5.25 0.44 0.00 1.61 2.20 -1.26 -4.75 119.74 112.73 1jqh s LYS 1171Ca 0.00 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 1jqh s LYS 1171Cb 0.00 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1jqh s LYS 1171CO 0.00 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1jqh n GLY 1172N 4.67 -1.39 3.55 5.54 0.00 -1.26 -4.85 105.19 111.44 1jqh n GLY 1172Ca -0.18 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.34 1jqh n GLY 1172CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jqh s LEU 1173N 0.00 3.90 0.28 0.99 1.43 -1.26 -5.00 118.68 119.02 1jqh s LEU 1173Ca 0.00 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1jqh s LEU 1173Cb 0.00 -3.01 -0.12 0.00 0.03 0.00 0.00 46.19 43.09 1jqh s LEU 1173CO 0.00 -1.26 1.57 0.18 0.23 0.00 0.00 176.35 177.07 1jqh n LEU 1174N 7.68 4.14 -4.67 1.79 4.77 -1.26 -4.93 117.00 124.52 1jqh n LEU 1174Ca 0.05 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.74 1jqh n LEU 1174Cb 0.48 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.98 1jqh n LEU 1174CO 0.66 0.05 0.92 -2.16 -1.33 0.00 0.00 177.39 175.53 1jqh s PRO 1175N -0.39 4.30 0.24 3.23 0.04 -1.26 -4.97 135.00 136.19 1jqh s PRO 1175Ca 0.65 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 1jqh s PRO 1175Cb -0.52 -3.63 0.44 0.00 0.04 0.00 0.00 34.50 30.83 1jqh s PRO 1175CO 0.48 -0.56 1.75 0.28 0.04 0.00 0.00 177.00 178.99 1jqh h VAL 1176N 5.34 0.72 0.00 -0.36 2.07 -1.94 -2.75 116.25 119.33 1jqh h VAL 1176Ca -0.24 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1jqh h VAL 1176Cb 1.09 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1jqh h VAL 1176CO 0.94 0.09 0.00 0.54 0.02 0.00 0.00 177.57 179.17 1jqh n ARG 1177N -4.94 0.01 0.00 1.57 1.74 -1.26 -1.49 116.66 112.29 1jqh n ARG 1177Ca 0.14 0.38 0.02 0.00 -0.77 0.00 0.00 57.85 57.62 1jqh n ARG 1177Cb 0.38 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 1jqh n ARG 1177CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1jqh n TRP 1178N -1.39 0.00 -2.66 -1.55 8.01 -1.04 -4.92 117.44 113.90 1jqh n TRP 1178Ca 0.00 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.82 1jqh n TRP 1178Cb 0.01 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.25 1jqh n TRP 1178CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1jqh s MET 1179N -1.11 4.48 0.65 -0.99 -1.94 -0.55 -4.11 119.30 115.73 1jqh s MET 1179Ca 0.02 1.47 -0.11 0.00 -1.71 0.00 0.00 55.69 55.36 1jqh s MET 1179Cb 0.03 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 34.04 1jqh s MET 1179CO 0.13 0.16 1.04 -1.54 -0.01 0.00 0.00 175.02 174.80 1jqh s SER 1180N -1.46 5.80 0.20 3.03 1.04 -1.26 -4.88 113.70 116.17 1jqh s SER 1180Ca 0.51 1.54 -0.10 0.00 0.48 0.00 0.00 55.95 58.38 1jqh s SER 1180Cb -0.22 -2.49 0.25 0.00 0.10 0.00 0.00 66.02 63.66 1jqh s SER 1180CO 0.28 -1.16 1.76 -0.65 0.98 0.00 0.00 173.24 174.45 1jqh h PRO 1181N -0.47 0.47 0.00 4.02 0.11 -1.91 -1.33 132.00 132.89 1jqh h PRO 1181Ca -0.44 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1jqh h PRO 1181Cb 1.20 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1jqh h PRO 1181CO 0.59 0.31 -0.34 1.05 -0.21 0.00 0.00 178.00 179.40 1jqh h GLU 1182N 0.48 0.00 -0.20 1.05 9.09 -1.89 0.11 114.58 123.23 1jqh h GLU 1182Ca 0.29 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.51 1jqh h GLU 1182Cb 0.30 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.41 1jqh h GLU 1182CO -0.25 0.34 -0.64 0.77 0.05 0.00 0.00 179.01 179.28 1jqh h SER 1183N 0.00 0.90 -0.26 3.06 0.02 -1.35 0.18 113.55 116.10 1jqh h SER 1183Ca -0.00 -0.59 -0.13 0.00 -0.84 0.00 0.00 61.79 60.22 1jqh h SER 1183Cb 0.68 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1jqh h SER 1183CO 0.04 1.34 -0.34 -0.07 -1.14 0.00 0.00 176.83 176.66 1jqh h LEU 1184N 0.52 0.76 0.11 5.07 3.38 -0.98 0.01 115.31 124.18 1jqh h LEU 1184Ca -0.02 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1jqh h LEU 1184Cb 1.26 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1jqh h LEU 1184CO 0.14 1.11 -0.05 0.50 0.09 0.00 0.00 178.44 180.23 1jqh h LYS 1185N 0.43 -0.14 -0.01 1.13 3.64 -0.81 -3.40 116.57 117.41 1jqh h LYS 1185Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1jqh h LYS 1185Cb 0.93 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1jqh h LYS 1185CO 0.08 0.36 -0.04 -0.25 -2.27 0.00 0.00 179.45 177.33 1jqh n ASP 1186N -4.85 1.45 -0.78 4.20 8.00 0.58 -4.98 116.55 120.17 1jqh n ASP 1186Ca -0.08 -1.23 -0.09 0.00 0.71 0.00 0.00 54.79 54.11 1jqh n ASP 1186Cb 0.28 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 1jqh n ASP 1186CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jqh n GLY 1187N 0.52 0.68 3.66 0.44 0.00 -0.01 -4.97 105.19 105.52 1jqh n GLY 1187Ca 0.04 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1jqh n GLY 1187CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jqh s VAL 1188N -2.36 5.06 -0.09 1.61 1.01 -1.13 -4.93 120.40 119.56 1jqh s VAL 1188Ca 0.00 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.12 1jqh s VAL 1188Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1jqh s VAL 1188CO 0.00 0.15 -0.22 -0.36 0.00 0.00 0.00 175.10 174.67 1jqh s PHE 1189N 1.72 2.38 0.33 5.22 0.40 -1.26 -3.36 117.98 123.42 1jqh s PHE 1189Ca 0.27 -0.95 0.03 0.00 -0.60 0.00 0.00 56.93 55.68 1jqh s PHE 1189Cb -0.16 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.76 1jqh s PHE 1189CO 0.10 -0.39 0.37 0.25 0.70 0.00 0.00 175.22 176.26 1jqh n THR 1190N 3.53 0.00 -0.03 0.64 -2.24 -1.26 -4.98 114.28 109.93 1jqh n THR 1190Ca -0.19 -2.03 0.05 0.00 -2.27 0.00 0.00 64.05 59.60 1jqh n THR 1190Cb 0.53 1.12 0.42 0.00 -2.10 0.00 0.00 70.33 70.30 1jqh n THR 1190CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jqh h THR 1191N 2.01 1.07 -0.60 4.28 1.03 -1.99 -1.98 112.91 116.73 1jqh h THR 1191Ca -0.24 -0.19 -0.09 0.00 -0.01 0.00 0.00 66.41 65.88 1jqh h THR 1191Cb 1.15 0.46 -0.02 0.00 -1.07 0.00 0.00 68.15 68.67 1jqh h THR 1191CO 0.34 0.10 0.03 1.88 -0.01 0.00 0.00 175.52 177.87 1jqh h TYR 1192N 0.56 1.09 0.00 0.00 0.05 -1.93 -1.70 116.97 115.04 1jqh h TYR 1192Ca 0.19 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1jqh h TYR 1192Cb 0.05 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.50 1jqh h TYR 1192CO -0.00 0.95 0.00 0.66 -1.05 0.00 0.00 178.16 178.72 1jqh h SER 1193N 0.94 0.00 0.20 3.88 4.64 -1.75 -1.47 113.55 119.99 1jqh h SER 1193Ca 0.18 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.28 1jqh h SER 1193Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1jqh h SER 1193CO 0.02 0.00 -0.86 0.44 -0.87 0.00 0.00 176.83 175.56 1jqh h ASP 1194N 0.00 0.63 -0.43 4.97 3.32 -0.78 -2.41 116.42 121.72 1jqh h ASP 1194Ca 0.00 -0.46 -0.10 0.00 0.02 0.00 0.00 57.03 56.49 1jqh h ASP 1194Cb 0.69 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1jqh h ASP 1194CO 0.00 1.24 -0.11 0.58 -1.72 0.00 0.00 179.24 179.23 1jqh h VAL 1195N 0.31 1.26 0.22 -1.35 2.07 -0.71 -0.98 116.25 117.08 1jqh h VAL 1195Ca -0.07 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1jqh h VAL 1195Cb 1.48 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1jqh h VAL 1195CO 0.16 0.43 -0.20 -0.25 0.02 0.00 0.00 177.57 177.73 1jqh h TRP 1196N 0.80 -0.51 -0.34 1.57 2.91 -1.17 -1.46 115.95 117.75 1jqh h TRP 1196Ca 0.13 0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.23 1jqh h TRP 1196Cb 0.64 0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 29.47 1jqh h TRP 1196CO 0.04 -0.30 0.24 0.77 -1.03 0.00 0.00 178.44 178.16 1jqh h SER 1197N -0.44 0.10 -0.51 2.65 0.02 -1.24 -0.32 113.55 113.82 1jqh h SER 1197Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1jqh h SER 1197Cb 0.40 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1jqh h SER 1197CO -0.03 0.07 0.24 0.15 -1.14 0.00 0.00 176.83 176.11 1jqh h PHE 1198N 0.12 0.75 -0.35 3.45 3.57 -0.17 -2.43 116.94 121.87 1jqh h PHE 1198Ca 0.16 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1jqh h PHE 1198Cb 0.48 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1jqh h PHE 1198CO -0.00 0.59 0.18 0.78 -2.23 0.00 0.00 178.31 177.63 1jqh h GLY 1199N 0.69 0.52 1.52 2.40 0.00 -0.25 -1.92 103.07 106.02 1jqh h GLY 1199Ca 0.18 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 1jqh h GLY 1199CO -0.02 0.21 -0.42 -2.08 0.00 0.00 0.00 176.54 174.23 1jqh h VAL 1200N 0.49 1.30 0.00 4.60 2.07 -1.27 -1.97 116.25 121.47 1jqh h VAL 1200Ca 0.13 -1.60 -0.11 0.00 0.82 0.00 0.00 66.70 65.94 1jqh h VAL 1200Cb 0.04 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1jqh h VAL 1200CO -0.02 0.50 -0.54 -0.37 0.02 0.00 0.00 177.57 177.16 1jqh h VAL 1201N 0.43 1.20 -0.34 2.57 -1.51 -0.95 0.11 116.25 117.76 1jqh h VAL 1201Ca 0.03 -1.98 -0.08 0.00 -1.23 0.00 0.00 66.70 63.43 1jqh h VAL 1201Cb 0.92 2.13 -0.02 0.00 -2.13 0.00 0.00 31.29 32.19 1jqh h VAL 1201CO 0.08 0.53 -0.14 -0.07 -1.23 0.00 0.00 177.57 176.74 1jqh h LEU 1202N 0.00 0.59 -0.60 4.19 3.38 -1.14 0.24 115.31 121.97 1jqh h LEU 1202Ca -0.01 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1jqh h LEU 1202Cb 1.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1jqh h LEU 1202CO 0.07 0.76 -0.68 -0.25 0.09 0.00 0.00 178.44 178.43 1jqh h TRP 1203N 0.55 0.15 -0.16 1.13 7.01 -0.76 -0.70 115.95 123.17 1jqh h TRP 1203Ca 0.09 -0.07 -0.05 0.00 2.11 0.00 0.00 58.89 60.98 1jqh h TRP 1203Cb 0.57 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 1jqh h TRP 1203CO 0.02 0.76 -0.08 0.93 -2.79 0.00 0.00 178.44 177.28 1jqh h GLU 1204N 0.08 0.34 0.18 2.65 5.08 0.14 -1.60 114.58 121.44 1jqh h GLU 1204Ca -0.01 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1jqh h GLU 1204Cb 1.21 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1jqh h GLU 1204CO 0.10 0.66 -0.30 0.82 -1.00 0.00 0.00 179.01 179.28 1jqh h ILE 1205N 0.01 0.36 -0.03 3.13 2.04 -0.45 0.56 117.51 123.13 1jqh h ILE 1205Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1jqh h ILE 1205Cb 0.56 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1jqh h ILE 1205CO 0.02 0.00 0.06 0.00 0.00 0.00 0.00 178.15 178.24 1jqh h ALA 1206N 0.09 1.30 -0.34 1.87 0.00 -1.07 -1.88 119.26 119.23 1jqh h ALA 1206Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jqh h ALA 1206Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jqh h ALA 1206CO -0.14 -0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.28 1jqh n THR 1207N -3.38 1.60 -3.92 0.00 -2.24 -0.61 -4.89 114.28 100.84 1jqh n THR 1207Ca -0.02 -1.37 -0.27 0.00 -2.27 0.00 0.00 64.05 60.11 1jqh n THR 1207Cb 0.14 0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1jqh n THR 1207CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jqh n LEU 1208N 0.16 -2.46 -3.13 3.22 4.77 -0.53 -3.14 117.00 115.88 1jqh n LEU 1208Ca 0.17 -0.89 -0.14 0.00 -0.03 0.00 0.00 56.01 55.11 1jqh n LEU 1208Cb 0.66 -2.41 0.07 0.00 -2.33 0.00 0.00 43.42 39.40 1jqh n LEU 1208CO 0.12 0.41 0.03 0.00 -1.33 0.00 0.00 177.39 176.63 1jqh n ALA 1209N -4.45 -2.32 -1.98 -1.18 0.00 0.18 -4.06 120.51 106.71 1jqh n ALA 1209Ca -0.14 0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 1jqh n ALA 1209Cb 0.61 -5.29 0.05 0.00 0.00 0.00 0.00 19.45 14.82 1jqh n ALA 1209CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jqh s GLU 1210N -4.33 2.46 -0.11 0.00 2.02 -1.19 -4.92 118.70 112.62 1jqh s GLU 1210Ca 0.41 -0.17 -0.29 0.00 0.02 0.00 0.00 54.97 54.94 1jqh s GLU 1210Cb -0.05 -2.21 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 1jqh s GLU 1210CO 0.69 -1.04 0.97 -1.14 0.02 0.00 0.00 175.26 174.75 1jqh s GLN 1211N -5.15 4.40 0.29 1.61 0.74 -1.26 -4.90 119.66 115.39 1jqh s GLN 1211Ca 0.58 1.31 -0.30 0.00 0.05 0.00 0.00 55.36 57.00 1jqh s GLN 1211Cb -0.11 -3.54 -0.11 0.00 1.10 0.00 0.00 33.01 30.35 1jqh s GLN 1211CO 0.45 -0.30 1.56 -2.14 -0.55 0.00 0.00 175.29 174.30 1jqh s PRO 1212N 1.99 4.15 -1.57 1.67 0.02 -1.26 -1.37 135.00 138.63 1jqh s PRO 1212Ca 0.46 2.52 -0.04 0.00 0.02 0.00 0.00 61.00 63.97 1jqh s PRO 1212Cb -0.18 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1jqh s PRO 1212CO 0.17 -0.58 0.52 0.66 -0.33 0.00 0.00 177.00 177.44 1jqh n TYR 1213N 2.09 -1.81 -1.66 6.54 4.01 -1.26 -4.87 117.16 120.20 1jqh n TYR 1213Ca 0.07 0.44 -0.47 0.00 -0.16 0.00 0.00 57.90 57.79 1jqh n TYR 1213Cb 0.38 -4.40 -0.05 0.00 -0.31 0.00 0.00 39.34 34.97 1jqh n TYR 1213CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1jqh n GLN 1214N -3.85 2.00 0.00 -0.72 7.27 -0.47 -1.62 117.38 119.99 1jqh n GLN 1214Ca -0.13 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.66 1jqh n GLN 1214Cb 0.63 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.80 1jqh n GLN 1214CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jqh n GLY 1215N 3.43 1.83 3.90 1.69 0.00 -1.26 -5.07 105.19 109.72 1jqh n GLY 1215Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1jqh n GLY 1215CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jqh s LEU 1216N 0.00 4.31 0.57 0.99 1.43 -0.64 -5.09 118.68 120.26 1jqh s LEU 1216Ca 0.00 0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 53.44 1jqh s LEU 1216Cb 0.00 -3.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.03 1jqh s LEU 1216CO 0.00 0.11 1.01 -0.94 0.23 0.00 0.00 176.35 176.76 1jqh s SER 1217N -2.39 6.38 0.39 2.29 1.04 -1.26 -4.84 113.70 115.31 1jqh s SER 1217Ca 0.38 1.49 0.09 0.00 0.48 0.00 0.00 55.95 58.40 1jqh s SER 1217Cb -0.13 -2.49 0.87 0.00 0.10 0.00 0.00 66.02 64.37 1jqh s SER 1217CO 0.25 -0.76 1.95 0.78 0.98 0.00 0.00 173.24 176.44 1jqh h ASN 1218N 0.22 0.55 -0.60 7.02 2.35 -1.98 0.25 115.58 123.39 1jqh h ASN 1218Ca -0.45 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1jqh h ASN 1218Cb 1.19 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 1jqh h ASN 1218CO 0.62 0.33 0.39 -0.08 -1.65 0.00 0.00 177.43 177.04 1jqh h GLU 1219N 0.61 0.78 -0.01 0.81 4.22 -2.00 0.27 114.58 119.26 1jqh h GLU 1219Ca 0.32 -0.05 -0.17 0.00 0.08 0.00 0.00 59.36 59.54 1jqh h GLU 1219Cb 0.45 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1jqh h GLU 1219CO -0.11 0.52 -0.78 1.96 -2.18 0.00 0.00 179.01 178.42 1jqh h GLN 1220N 0.81 0.12 -0.54 1.92 4.20 -1.40 -3.07 115.11 117.15 1jqh h GLN 1220Ca 0.22 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 1jqh h GLN 1220Cb -0.09 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1jqh h GLN 1220CO -0.05 0.84 -0.07 0.28 -0.67 0.00 0.00 178.83 179.16 1jqh h VAL 1221N 0.07 1.27 -0.43 -0.54 2.07 0.13 0.05 116.25 118.86 1jqh h VAL 1221Ca -0.02 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.38 1jqh h VAL 1221Cb 1.36 0.96 -0.09 0.00 -1.52 0.00 0.00 31.29 32.00 1jqh h VAL 1221CO 0.11 0.43 -0.29 0.25 0.02 0.00 0.00 177.57 178.09 1jqh h LEU 1222N 0.87 -0.97 -0.05 2.57 7.12 -0.40 0.37 115.31 124.82 1jqh h LEU 1222Ca 0.14 0.19 -0.02 0.00 0.13 0.00 0.00 57.88 58.32 1jqh h LEU 1222Cb 0.62 0.48 -0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1jqh h LEU 1222CO 0.04 -0.29 -0.05 0.03 -0.13 0.00 0.00 178.44 178.04 1jqh h ARG 1223N -0.20 0.12 -0.06 1.25 3.08 -1.48 -2.41 114.38 114.68 1jqh h ARG 1223Ca 0.19 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1jqh h ARG 1223Cb 0.51 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1jqh h ARG 1223CO -0.55 0.57 -0.46 0.35 -1.07 0.00 0.00 179.97 178.80 1jqh h PHE 1224N -0.33 -1.37 -0.86 3.04 3.57 -0.52 0.64 116.94 121.11 1jqh h PHE 1224Ca 0.01 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1jqh h PHE 1224Cb 0.54 0.61 -0.07 0.00 2.79 0.00 0.00 35.95 39.82 1jqh h PHE 1224CO 0.09 -0.48 0.53 0.28 -2.23 0.00 0.00 178.31 176.50 1jqh h VAL 1225N -0.54 1.00 0.00 1.41 2.07 -1.03 0.19 116.25 119.35 1jqh h VAL 1225Ca 0.02 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1jqh h VAL 1225Cb 0.60 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1jqh h VAL 1225CO -0.34 0.17 -0.03 0.24 0.02 0.00 0.00 177.57 177.63 1jqh h MET 1226N 0.94 0.00 -0.37 1.57 2.86 -0.90 -2.36 114.93 116.66 1jqh h MET 1226Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1jqh h MET 1226Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1jqh h MET 1226CO -0.20 0.03 0.00 0.39 1.06 0.00 0.00 176.91 178.20 1jqh n GLU 1227N -3.20 1.96 -0.32 1.72 1.02 0.50 -4.88 120.64 117.45 1jqh n GLU 1227Ca -0.01 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 1jqh n GLU 1227Cb 0.23 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1jqh n GLU 1227CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jqh n GLY 1228N 1.19 0.74 3.77 0.62 0.00 -0.89 -5.05 105.19 105.57 1jqh n GLY 1228Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1jqh n GLY 1228CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jqh s GLY 1229N -1.61 2.80 0.23 -0.02 0.00 -0.28 -4.98 107.32 103.46 1jqh s GLY 1229Ca 0.00 0.98 0.02 0.00 0.00 0.00 0.00 44.72 45.72 1jqh s GLY 1229CO 0.00 1.45 0.05 1.08 0.00 0.00 0.00 173.10 175.68 1jqh s LEU 1230N -2.98 1.92 0.48 0.66 1.43 -1.26 -4.32 118.68 114.61 1jqh s LEU 1230Ca 0.63 -1.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.25 1jqh s LEU 1230Cb -0.30 -0.08 -0.09 0.00 0.03 0.00 0.00 46.19 45.76 1jqh s LEU 1230CO 0.37 -0.63 1.02 -0.76 0.23 0.00 0.00 176.35 176.57 1jqh s LEU 1231N -3.27 3.83 0.57 1.79 1.43 -1.26 -5.04 118.68 116.73 1jqh s LEU 1231Ca 0.32 1.85 -0.16 0.00 -1.03 0.00 0.00 54.13 55.10 1jqh s LEU 1231Cb 0.07 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 1jqh s LEU 1231CO 0.10 -0.70 1.04 -1.81 0.23 0.00 0.00 176.35 175.21 1jqh s ASP 1232N -2.14 5.97 -0.16 2.29 1.11 -1.26 -4.98 116.67 117.50 1jqh s ASP 1232Ca 0.65 1.79 -0.29 0.00 0.18 0.00 0.00 52.55 54.88 1jqh s ASP 1232Cb -0.14 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.29 1jqh s ASP 1232CO 0.20 -1.04 1.41 -0.75 1.18 0.00 0.00 175.17 176.17 1jqh s LYS 1233N -3.98 4.14 0.46 8.23 2.20 -1.26 -4.95 119.74 124.58 1jqh s LYS 1233Ca 0.63 1.76 -0.21 0.00 -0.36 0.00 0.00 55.97 57.79 1jqh s LYS 1233Cb -0.15 -3.86 -0.11 0.00 -1.51 0.00 0.00 37.83 32.19 1jqh s LYS 1233CO 0.34 -0.85 0.61 -2.30 -0.36 0.00 0.00 175.35 172.79 1jqh n PRO 1234N 6.93 0.67 -0.22 4.03 -0.02 -1.26 -4.85 135.00 140.29 1jqh n PRO 1234Ca 0.15 0.25 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 1jqh n PRO 1234Cb 0.44 -1.64 -0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1jqh n PRO 1234CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jqh n ASP 1235N 0.95 -0.43 -1.70 2.55 8.00 -1.26 -1.42 116.55 123.24 1jqh n ASP 1235Ca 0.11 0.97 -0.07 0.00 0.71 0.00 0.00 54.79 56.51 1jqh n ASP 1235Cb 0.42 -0.19 0.08 0.00 -0.02 0.00 0.00 41.12 41.40 1jqh n ASP 1235CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jqh n ASN 1236N -4.77 2.80 -4.72 -2.24 4.13 -1.26 -5.07 115.26 104.13 1jqh n ASN 1236Ca 0.04 -3.21 -0.42 0.00 1.68 0.00 0.00 54.58 52.68 1jqh n ASN 1236Cb 0.20 -0.42 -0.03 0.00 -1.54 0.00 0.00 39.78 37.99 1jqh n ASN 1236CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jqh n PRO 1238N 3.73 2.48 -0.15 0.00 -0.02 -1.26 -4.84 135.00 134.94 1jqh n PRO 1238Ca 0.12 0.88 -0.04 0.00 -2.02 0.00 0.00 63.50 62.44 1jqh n PRO 1238Cb 0.40 -2.62 0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1jqh n PRO 1238CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1jqh h ASP 1239N 4.49 -0.50 -0.84 2.55 3.45 -1.99 -1.29 116.42 122.29 1jqh h ASP 1239Ca -0.46 0.15 0.07 0.00 0.43 0.00 0.00 57.03 57.22 1jqh h ASP 1239Cb 1.24 0.31 -0.06 0.00 -0.56 0.00 0.00 39.33 40.26 1jqh h ASP 1239CO 0.77 -0.17 0.51 -0.03 -1.57 0.00 0.00 179.24 178.75 1jqh h MET 1240N -0.03 0.88 -0.44 3.56 4.05 -2.00 -0.35 114.93 120.61 1jqh h MET 1240Ca 0.22 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 1jqh h MET 1240Cb 0.37 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1jqh h MET 1240CO -0.49 0.58 0.20 1.25 0.23 0.00 0.00 176.91 178.68 1jqh h LEU 1241N 0.90 0.58 -1.65 3.39 5.85 -1.64 -1.67 115.31 121.08 1jqh h LEU 1241Ca 0.38 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1jqh h LEU 1241Cb 0.24 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1jqh h LEU 1241CO -0.20 0.55 -0.16 0.15 -0.34 0.00 0.00 178.44 178.45 1jqh h PHE 1242N 0.57 0.00 -0.07 1.25 3.57 -0.65 -2.50 116.94 119.11 1jqh h PHE 1242Ca 0.15 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1jqh h PHE 1242Cb 0.13 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1jqh h PHE 1242CO -0.01 0.16 0.04 0.93 -2.23 0.00 0.00 178.31 177.20 1jqh h GLU 1243N 0.00 0.10 0.04 1.11 4.39 -0.13 -1.49 114.58 118.61 1jqh h GLU 1243Ca -0.00 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1jqh h GLU 1243Cb 0.48 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 1jqh h GLU 1243CO 0.02 0.15 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.63 1jqh h LEU 1244N 0.01 -0.96 -0.47 1.33 3.38 -1.14 -1.49 115.31 115.97 1jqh h LEU 1244Ca 0.02 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1jqh h LEU 1244Cb 0.09 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1jqh h LEU 1244CO -0.00 -0.40 -0.45 0.24 0.09 0.00 0.00 178.44 177.92 1jqh h MET 1245N -0.50 -0.29 -0.68 1.13 2.86 -1.33 0.85 114.93 116.97 1jqh h MET 1245Ca 0.05 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.84 1jqh h MET 1245Cb 0.57 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 1jqh h MET 1245CO -0.24 -0.19 0.46 0.00 1.06 0.00 0.00 176.91 178.00 1jqh h ARG 1246N -0.30 0.36 0.07 1.72 3.08 -0.86 -0.82 114.38 117.64 1jqh h ARG 1246Ca 0.14 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 59.91 1jqh h ARG 1246Cb 0.58 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1jqh h ARG 1246CO -0.62 0.24 -1.12 0.52 -1.07 0.00 0.00 179.97 177.92 1jqh h MET 1247N 0.37 0.44 0.00 0.04 2.86 0.12 -2.98 114.93 115.79 1jqh h MET 1247Ca 0.33 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1jqh h MET 1247Cb 0.77 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1jqh h MET 1247CO -0.09 1.22 0.00 0.00 1.06 0.00 0.00 176.91 179.10 1jqh n TRP 1249N -2.53 1.88 -1.82 0.00 8.01 -0.40 -3.79 117.44 118.78 1jqh n TRP 1249Ca 0.01 -0.86 -0.42 0.00 -1.31 0.00 0.00 57.50 54.92 1jqh n TRP 1249Cb 0.21 -0.50 -0.03 0.00 -2.01 0.00 0.00 31.31 28.98 1jqh n TRP 1249CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1jqh s GLN 1250N -2.84 4.16 0.24 -0.99 -1.52 -1.04 -4.85 119.66 112.82 1jqh s GLN 1250Ca 0.52 2.51 -0.05 0.00 -1.95 0.00 0.00 55.36 56.39 1jqh s GLN 1250Cb 0.41 -3.08 0.35 0.00 -0.22 0.00 0.00 33.01 30.46 1jqh s GLN 1250CO 0.14 -0.65 1.84 -0.92 -0.25 0.00 0.00 175.29 175.44 1jqh h TYR 1251N 6.06 0.93 -3.46 0.91 3.20 -1.93 -3.37 116.97 119.32 1jqh h TYR 1251Ca -0.44 0.03 -0.60 0.00 3.14 0.00 0.00 58.73 60.86 1jqh h TYR 1251Cb 1.21 -0.29 -0.09 0.00 1.54 0.00 0.00 36.73 39.09 1jqh h TYR 1251CO 0.62 0.44 0.54 1.21 -1.64 0.00 0.00 178.16 179.34 1jqh s ASN 1252N -5.71 6.69 0.28 -2.11 2.47 -1.26 -4.86 114.94 110.43 1jqh s ASN 1252Ca -0.13 0.62 0.01 0.00 0.42 0.00 0.00 52.86 53.79 1jqh s ASN 1252Cb 0.18 -2.45 0.66 0.00 -1.45 0.00 0.00 41.25 38.19 1jqh s ASN 1252CO 0.79 -0.78 1.67 -0.65 -3.72 0.00 0.00 177.10 174.41 1jqh h PRO 1253N 8.34 0.27 0.00 0.43 0.11 -1.96 0.97 132.00 140.15 1jqh h PRO 1253Ca -0.23 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 1jqh h PRO 1253Cb 1.08 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jqh h PRO 1253CO 0.95 0.18 -0.01 0.87 -0.21 0.00 0.00 178.00 179.78 1jqh h LYS 1254N 0.28 0.00 0.00 1.05 1.79 -1.93 -1.81 116.57 115.96 1jqh h LYS 1254Ca 0.52 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 1jqh h LYS 1254Cb 1.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1jqh h LYS 1254CO -0.58 0.01 -0.33 -0.12 -1.08 0.00 0.00 179.45 177.35 1jqh n MET 1255N -3.16 0.21 -2.85 3.15 1.56 0.33 -4.85 117.12 111.52 1jqh n MET 1255Ca -0.02 0.11 -0.34 0.00 -0.27 0.00 0.00 57.70 57.18 1jqh n MET 1255Cb 0.13 -1.68 -0.07 0.00 2.15 0.00 0.00 33.22 33.76 1jqh n MET 1255CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1jqh s ARG 1256N -3.10 4.26 0.66 2.12 0.52 -0.68 -4.91 118.95 117.82 1jqh s ARG 1256Ca 0.09 1.11 -0.11 0.00 -0.52 0.00 0.00 55.73 56.30 1jqh s ARG 1256Cb 0.14 -2.30 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 1jqh s ARG 1256CO 0.65 0.04 1.05 -1.25 0.02 0.00 0.00 175.30 175.81 1jqh s PRO 1257N -2.98 3.21 0.64 3.54 0.04 -1.26 -5.05 135.00 133.14 1jqh s PRO 1257Ca 0.59 0.80 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 1jqh s PRO 1257Cb -0.11 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1jqh s PRO 1257CO 0.15 -0.86 0.92 -1.54 0.04 0.00 0.00 177.00 175.71 1jqh s SER 1258N -4.03 4.98 0.39 6.66 1.04 -1.26 -4.86 113.70 116.62 1jqh s SER 1258Ca 0.57 0.25 0.11 0.00 0.48 0.00 0.00 55.95 57.36 1jqh s SER 1258Cb -0.12 -0.99 0.79 0.00 0.10 0.00 0.00 66.02 65.80 1jqh s SER 1258CO 0.54 -1.43 1.90 -0.26 0.98 0.00 0.00 173.24 174.98 1jqh h PHE 1259N -0.33 0.15 -0.35 5.02 0.04 -1.93 0.15 116.94 119.68 1jqh h PHE 1259Ca -0.43 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.17 1jqh h PHE 1259Cb 1.31 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 1jqh h PHE 1259CO 0.33 0.35 -0.35 -0.07 -0.60 0.00 0.00 178.31 177.97 1jqh h LEU 1260N 0.14 0.85 -0.59 1.54 3.38 -1.93 -0.78 115.31 117.92 1jqh h LEU 1260Ca 0.02 -0.37 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 1jqh h LEU 1260Cb 0.45 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jqh h LEU 1260CO 0.03 1.12 -0.53 -0.33 0.09 0.00 0.00 178.44 178.81 1jqh h GLU 1261N 0.67 0.48 0.39 1.13 5.08 -1.73 0.19 114.58 120.78 1jqh h GLU 1261Ca 0.07 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1jqh h GLU 1261Cb 0.90 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1jqh h GLU 1261CO 0.08 0.89 -0.19 0.82 -1.00 0.00 0.00 179.01 179.62 1jqh h ILE 1262N 0.37 0.62 0.03 3.13 1.08 -0.53 -2.13 117.51 120.09 1jqh h ILE 1262Ca 0.01 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1jqh h ILE 1262Cb 1.05 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1jqh h ILE 1262CO 0.10 0.01 -0.06 0.40 -0.69 0.00 0.00 178.15 177.91 1jqh h ILE 1263N -0.55 0.85 -0.89 -0.67 2.04 -1.03 -2.37 117.51 114.89 1jqh h ILE 1263Ca -0.05 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.04 1jqh h ILE 1263Cb 0.42 0.85 -0.13 0.00 -0.74 0.00 0.00 36.82 37.22 1jqh h ILE 1263CO 0.09 0.00 0.34 -1.28 0.00 0.00 0.00 178.15 177.30 1jqh h SER 1264N -0.12 0.21 0.61 1.72 0.87 -0.54 0.53 113.55 116.82 1jqh h SER 1264Ca 0.01 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1jqh h SER 1264Cb 0.14 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1jqh h SER 1264CO -0.04 -0.07 0.00 -1.54 -0.53 0.00 0.00 176.83 174.65 1jqh n SER 1265N -5.12 0.00 0.00 6.23 3.41 -0.81 -3.68 113.62 113.66 1jqh n SER 1265Ca 0.22 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1jqh n SER 1265Cb 0.68 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1jqh n SER 1265CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1jqh n ILE 1266N -1.36 0.00 -0.34 -1.33 -5.35 0.37 -4.84 119.36 106.50 1jqh n ILE 1266Ca 0.10 -0.25 0.17 0.00 -0.27 0.00 0.00 62.75 62.51 1jqh n ILE 1266Cb 0.23 1.46 0.40 0.00 -1.74 0.00 0.00 39.64 39.99 1jqh n ILE 1266CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1jqh h LYS 1267N 0.00 0.57 0.00 6.28 2.10 -0.17 0.53 116.57 125.89 1jqh h LYS 1267Ca 0.00 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 1jqh h LYS 1267Cb 0.23 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1jqh h LYS 1267CO 0.00 0.38 -0.14 0.93 -2.00 0.00 0.00 179.45 178.62 1jqh h GLU 1268N 0.59 0.00 -0.58 0.07 3.07 -1.85 -1.53 114.58 114.34 1jqh h GLU 1268Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1jqh h GLU 1268Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1jqh h GLU 1268CO -0.38 0.14 0.00 0.39 -1.40 0.00 0.00 179.01 177.76 1jqh n GLU 1269N -3.91 2.60 -2.85 2.33 1.02 0.17 -4.90 120.64 115.10 1jqh n GLU 1269Ca -0.02 -1.69 -0.23 0.00 -0.02 0.00 0.00 57.16 55.19 1jqh n GLU 1269Cb 0.23 -1.62 0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1jqh n GLU 1269CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1jqh s MET 1270N -1.70 2.99 0.85 3.49 -1.94 -0.58 -4.70 119.30 117.70 1jqh s MET 1270Ca 0.30 -0.43 -0.11 0.00 -1.71 0.00 0.00 55.69 53.74 1jqh s MET 1270Cb 0.19 -2.50 0.10 0.00 2.01 0.00 0.00 34.83 34.63 1jqh s MET 1270CO 0.15 -0.39 1.09 -1.21 -0.01 0.00 0.00 175.02 174.66 1jqh s GLU 1271N -4.65 1.65 0.28 2.03 2.02 -1.26 -4.96 118.70 113.81 1jqh s GLU 1271Ca 0.50 0.82 -0.03 0.00 0.02 0.00 0.00 54.97 56.28 1jqh s GLU 1271Cb -0.10 -1.85 0.37 0.00 0.10 0.00 0.00 34.13 32.65 1jqh s GLU 1271CO 0.39 -1.97 1.88 -1.35 0.02 0.00 0.00 175.26 174.24 1jqh h PRO 1272N -1.35 1.02 0.00 0.39 0.11 -1.98 -2.93 132.00 127.27 1jqh h PRO 1272Ca -0.48 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 65.46 1jqh h PRO 1272Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1jqh h PRO 1272CO 0.55 0.78 -0.17 0.78 -0.21 0.00 0.00 178.00 179.73 1jqh h GLY 1273N 1.08 0.00 -0.49 -0.55 0.00 -2.03 -3.25 103.07 97.84 1jqh h GLY 1273Ca 0.25 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.82 1jqh h GLY 1273CO -0.04 0.00 0.20 -2.75 0.00 0.00 0.00 176.54 173.96 1jqh h PHE 1274N 0.00 0.29 -0.13 5.60 3.57 -1.89 0.12 116.94 124.50 1jqh h PHE 1274Ca -0.00 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1jqh h PHE 1274Cb 0.44 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1jqh h PHE 1274CO 0.00 -0.23 0.10 -0.09 -2.23 0.00 0.00 178.31 175.85 1jqh h ARG 1275N 0.18 0.00 0.09 1.11 2.43 -1.78 0.42 114.38 116.82 1jqh h ARG 1275Ca 0.55 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.43 1jqh h ARG 1275Cb 1.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1jqh h ARG 1275CO -0.68 0.00 -1.46 0.93 -1.51 0.00 0.00 179.97 177.25 1jqh h GLU 1276N 0.00 0.18 0.00 0.20 5.08 -0.99 -3.39 114.58 115.67 1jqh h GLU 1276Ca 0.06 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1jqh h GLU 1276Cb 0.26 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jqh h GLU 1276CO -0.00 1.03 -1.38 1.33 -1.00 0.00 0.00 179.01 178.99 1jqh n VAL 1277N -3.39 0.00 -2.40 3.13 0.24 -1.06 -5.00 118.33 109.84 1jqh n VAL 1277Ca -0.14 -0.24 -0.36 0.00 -2.04 0.00 0.00 64.34 61.57 1jqh n VAL 1277Cb 1.03 0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 33.92 1jqh n VAL 1277CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jqh s SER 1278N -3.51 6.26 0.13 -1.34 1.04 0.11 -4.42 113.70 111.97 1jqh s SER 1278Ca 0.00 2.11 -0.11 0.00 0.48 0.00 0.00 55.95 58.44 1jqh s SER 1278Cb 0.14 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.61 1jqh s SER 1278CO 0.81 -0.84 1.43 0.15 0.98 0.00 0.00 173.24 175.76 1jqh h PHE 1279N 1.84 1.10 -0.42 5.02 3.57 -1.89 -2.72 116.94 123.44 1jqh h PHE 1279Ca -0.49 -0.38 0.09 0.00 3.53 0.00 0.00 57.97 60.72 1jqh h PHE 1279Cb 1.24 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.67 1jqh h PHE 1279CO 0.55 1.21 -0.20 -0.92 -2.23 0.00 0.00 178.31 176.71 1jqh h TYR 1280N 0.69 -0.52 -0.23 0.41 5.03 -1.92 0.48 116.97 120.91 1jqh h TYR 1280Ca 0.03 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1jqh h TYR 1280Cb 1.11 0.29 0.00 0.00 1.55 0.00 0.00 36.73 39.68 1jqh h TYR 1280CO 0.07 -0.29 0.00 0.66 -1.32 0.00 0.00 178.16 177.28 1jqh n TYR 1281N -5.38 0.31 -1.97 -3.82 0.53 -1.21 -4.74 117.16 100.87 1jqh n TYR 1281Ca 0.03 -0.15 -0.29 0.00 -1.02 0.00 0.00 57.90 56.46 1jqh n TYR 1281Cb 0.29 0.00 0.05 0.00 -1.03 0.00 0.00 39.34 38.66 1jqh n TYR 1281CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1jqh s SER 1282N -1.14 5.27 0.34 7.72 1.04 0.16 -4.95 113.70 122.13 1jqh s SER 1282Ca 0.21 0.98 0.15 0.00 0.48 0.00 0.00 55.95 57.78 1jqh s SER 1282Cb 0.11 -1.75 0.58 0.00 0.10 0.00 0.00 66.02 65.07 1jqh s SER 1282CO 0.15 -1.42 1.71 -0.33 0.98 0.00 0.00 173.24 174.33 1jqh h GLU 1283N -0.66 0.00 -0.08 4.02 4.39 -1.91 -2.91 114.58 117.43 1jqh h GLU 1283Ca -0.45 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 1jqh h GLU 1283Cb 1.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1jqh h GLU 1283CO 0.64 0.46 -0.15 1.49 -1.16 0.00 0.00 179.01 180.29 1jqh h GLU 1284N 0.00 0.12 -6.17 2.33 4.81 -1.93 -3.40 114.58 110.34 1jqh h GLU 1284Ca -0.00 -0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 58.68 1jqh h GLU 1284Cb 0.93 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.23 1jqh h GLU 1284CO 0.06 0.27 1.20 1.21 -0.73 0.00 0.00 179.01 181.02 1jqh s ASN 1285N -6.94 5.72 0.00 1.04 2.47 -1.10 -5.14 114.94 110.99 1jqh s ASN 1285Ca -0.05 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.17 1jqh s ASN 1285Cb 0.16 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1jqh s ASN 1285CO 0.71 -2.10 0.00 1.17 -3.72 0.00 0.00 177.10 173.16