#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fq4 s ARG 989 N 0.00 2.41 -1.21 0.03 0.52 -1.26 -4.75 118.95 114.69 3fq4 s ARG 989 Ca 0.00 -1.45 -0.03 0.00 -0.52 0.00 0.00 55.73 53.73 3fq4 s ARG 989 Cb 0.00 -2.21 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 3fq4 s ARG 989 CO 0.00 0.22 0.85 -0.25 0.02 0.00 0.00 175.30 176.13 3fq4 n ASP 990 N -1.08 -2.82 -4.64 0.23 8.00 0.14 -4.02 116.55 112.37 3fq4 n ASP 990 Ca -0.05 -0.75 -0.40 0.00 0.71 0.00 0.00 54.79 54.30 3fq4 n ASP 990 Cb 0.60 -4.56 -0.06 0.00 -0.02 0.00 0.00 41.12 37.08 3fq4 n ASP 990 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fq4 s VAL 991 N -3.50 5.00 -0.13 2.53 1.01 -0.43 -1.61 120.40 123.28 3fq4 s VAL 991 Ca 0.13 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.23 3fq4 s VAL 991 Cb -0.03 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3fq4 s VAL 991 CO 0.78 0.06 -0.12 -0.69 0.00 0.00 0.00 175.10 175.13 3fq4 s VAL 992 N 2.30 3.19 0.14 2.92 1.01 0.86 -0.68 120.40 130.15 3fq4 s VAL 992 Ca 0.27 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 3fq4 s VAL 992 Cb -0.16 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.89 3fq4 s VAL 992 CO 0.09 0.52 0.35 -0.94 0.00 0.00 0.00 175.10 175.13 3fq4 s SER 993 N 0.27 -0.10 0.52 3.32 1.04 -0.64 -0.61 113.70 117.50 3fq4 s SER 993 Ca -0.08 -0.56 -0.20 0.00 0.48 0.00 0.00 55.95 55.60 3fq4 s SER 993 Cb -0.15 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.36 3fq4 s SER 993 CO 0.05 -0.88 1.07 -0.36 0.98 0.00 0.00 173.24 174.10 3fq4 s PHE 994 N -3.87 2.87 0.31 5.02 0.40 -0.11 -0.78 117.98 121.83 3fq4 s PHE 994 Ca 0.08 1.56 0.01 0.00 -0.60 0.00 0.00 56.93 57.98 3fq4 s PHE 994 Cb 0.02 -3.15 0.51 0.00 0.51 0.00 0.00 43.02 40.92 3fq4 s PHE 994 CO -0.07 -1.14 1.90 1.49 0.70 0.00 0.00 175.22 178.09 3fq4 h GLU 995 N 1.32 0.78 -3.76 0.44 4.57 -1.70 -3.36 114.58 112.88 3fq4 h GLU 995 Ca -0.49 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 57.45 3fq4 h GLU 995 Cb 1.24 -0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 29.52 3fq4 h GLU 995 CO 0.58 0.65 -0.46 -0.65 -1.18 0.00 0.00 179.01 177.95 3fq4 s GLN 996 N -5.34 0.68 0.32 1.92 -0.21 -1.26 -4.91 119.66 110.86 3fq4 s GLN 996 Ca -0.09 -0.80 0.26 0.00 0.02 0.00 0.00 55.36 54.75 3fq4 s GLN 996 Cb 0.16 0.27 0.77 0.00 1.00 0.00 0.00 33.01 35.21 3fq4 s GLN 996 CO 0.78 -0.19 1.74 -1.00 -2.12 0.00 0.00 175.29 174.51 3fq4 h PRO 997 N 3.34 0.00 -3.61 2.91 0.13 -1.88 -3.44 132.00 129.45 3fq4 h PRO 997 Ca -0.33 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.62 3fq4 h PRO 997 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.07 3fq4 h PRO 997 CO 0.52 0.00 -0.61 -1.21 -0.23 0.00 0.00 178.00 176.48 3fq4 s GLU 998 N -3.23 0.23 0.04 0.86 2.02 -1.26 -1.18 118.70 116.19 3fq4 s GLU 998 Ca 0.08 -0.15 0.03 0.00 0.02 0.00 0.00 54.97 54.96 3fq4 s GLU 998 Cb 0.09 0.10 -0.02 0.00 0.10 0.00 0.00 34.13 34.40 3fq4 s GLU 998 CO 0.58 -0.04 -0.11 -0.06 0.02 0.00 0.00 175.26 175.65 3fq4 s PHE 999 N -0.58 0.92 -0.08 1.61 0.08 -0.23 -4.94 117.98 114.75 3fq4 s PHE 999 Ca -0.07 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.61 3fq4 s PHE 999 Cb -0.04 -0.54 -0.01 0.00 -0.57 0.00 0.00 43.02 41.86 3fq4 s PHE 999 CO 0.00 -0.01 -0.20 0.45 -0.10 0.00 0.00 175.22 175.36 3fq4 s SER 1000N -1.38 3.51 0.03 1.36 0.15 -1.26 -0.68 113.70 115.43 3fq4 s SER 1000Ca -0.04 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.21 3fq4 s SER 1000Cb -0.09 -1.14 -0.02 0.00 -1.71 0.00 0.00 66.02 63.06 3fq4 s SER 1000CO 0.01 0.23 -0.05 0.68 1.20 0.00 0.00 173.24 175.31 3fq4 s VAL 1001N -0.06 0.27 0.10 4.45 -7.23 -0.22 -4.96 120.40 112.75 3fq4 s VAL 1001Ca -0.05 -1.08 -0.22 0.00 -1.81 0.00 0.00 61.98 58.82 3fq4 s VAL 1001Cb -0.14 -0.52 -0.07 0.00 0.56 0.00 0.00 36.38 36.20 3fq4 s VAL 1001CO 0.04 -0.52 0.66 -0.55 -0.31 0.00 0.00 175.10 174.42 3fq4 s SER 1002N -1.68 7.19 0.37 4.85 0.15 -1.26 -0.90 113.70 122.42 3fq4 s SER 1002Ca -0.11 1.41 0.08 0.00 0.70 0.00 0.00 55.95 58.03 3fq4 s SER 1002Cb -0.08 -2.42 0.82 0.00 -1.71 0.00 0.00 66.02 62.63 3fq4 s SER 1002CO -0.02 0.22 1.93 -0.09 1.20 0.00 0.00 173.24 176.49 3fq4 h ARG 1003N 4.61 0.66 0.00 5.44 2.43 -1.28 -1.19 114.38 125.04 3fq4 h ARG 1003Ca -0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3fq4 h ARG 1003Cb 1.21 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3fq4 h ARG 1003CO 0.65 0.43 0.00 0.41 -1.51 0.00 0.00 179.97 179.96 3fq4 n GLY 1004N -1.46 -0.97 0.19 2.80 0.00 -1.26 -2.79 105.19 101.70 3fq4 n GLY 1004Ca 0.13 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3fq4 n GLY 1004CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fq4 h ASP 1005N 0.00 0.00 0.00 1.61 5.19 -1.61 -3.46 116.42 118.15 3fq4 h ASP 1005Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3fq4 h ASP 1005Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3fq4 h ASP 1005CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 3fq4 n GLN 1006N -2.61 0.00 -3.67 3.56 1.13 -1.12 -4.88 117.38 109.80 3fq4 n GLN 1006Ca 0.02 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.94 3fq4 n GLN 1006Cb 0.29 -1.82 -0.08 0.00 0.11 0.00 0.00 30.24 28.74 3fq4 n GLN 1006CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3fq4 s VAL 1007N -1.56 0.00 -0.25 5.09 0.11 -1.26 -1.18 120.40 121.35 3fq4 s VAL 1007Ca 0.00 -0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 58.92 3fq4 s VAL 1007Cb 0.00 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 3fq4 s VAL 1007CO 0.00 -0.02 0.14 0.00 -3.33 0.00 0.00 175.10 171.90 3fq4 s ALA 1008N 0.03 3.47 -0.28 1.54 0.00 0.38 -4.88 121.76 122.01 3fq4 s ALA 1008Ca -0.02 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 3fq4 s ALA 1008Cb -0.04 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 3fq4 s ALA 1008CO 0.02 -0.37 0.27 1.03 0.00 0.00 0.00 175.76 176.71 3fq4 s ARG 1009N 1.40 3.92 -0.23 0.00 0.52 -1.26 -1.28 118.95 122.02 3fq4 s ARG 1009Ca 0.07 -0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.07 3fq4 s ARG 1009Cb -0.15 -3.68 0.06 0.00 0.52 0.00 0.00 34.95 31.70 3fq4 s ARG 1009CO 0.07 -0.25 -0.09 0.42 0.02 0.00 0.00 175.30 175.47 3fq4 s ILE 1010N 1.88 1.80 0.19 1.52 1.01 0.80 -4.94 121.20 123.46 3fq4 s ILE 1010Ca 0.10 -1.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.13 3fq4 s ILE 1010Cb -0.16 -1.95 -0.08 0.00 0.01 0.00 0.00 42.46 40.28 3fq4 s ILE 1010CO 0.11 -0.00 0.99 -2.16 0.00 0.00 0.00 174.94 173.88 3fq4 s PRO 1011N 1.29 4.73 -0.08 2.79 0.04 -1.26 -0.61 135.00 141.89 3fq4 s PRO 1011Ca -0.06 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.57 3fq4 s PRO 1011Cb -0.19 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3fq4 s PRO 1011CO -0.06 0.30 -0.21 0.08 0.04 0.00 0.00 177.00 177.14 3fq4 s VAL 1012N -0.57 1.79 0.20 -0.36 1.01 -0.01 -1.94 120.40 120.52 3fq4 s VAL 1012Ca 0.45 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3fq4 s VAL 1012Cb -0.26 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3fq4 s VAL 1012CO 0.33 0.50 -0.07 0.27 0.00 0.00 0.00 175.10 176.13 3fq4 s ILE 1013N 0.34 3.29 -0.09 2.22 -4.36 0.04 -0.52 121.20 122.12 3fq4 s ILE 1013Ca -0.15 -1.72 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 3fq4 s ILE 1013Cb -0.16 -2.67 0.01 0.00 1.25 0.00 0.00 42.46 40.89 3fq4 s ILE 1013CO 0.07 -0.19 -0.15 -0.60 0.24 0.00 0.00 174.94 174.31 3fq4 s ARG 1014N -3.07 2.12 0.32 0.37 3.52 0.01 -1.61 118.95 120.61 3fq4 s ARG 1014Ca 0.27 -0.54 0.10 0.00 -0.13 0.00 0.00 55.73 55.43 3fq4 s ARG 1014Cb -0.08 -1.77 -0.06 0.00 -1.56 0.00 0.00 34.95 31.48 3fq4 s ARG 1014CO 0.17 -0.02 -0.09 1.03 -0.81 0.00 0.00 175.30 175.58 3fq4 s ARG 1015N 0.84 1.88 -1.11 5.12 0.52 0.15 -4.68 118.95 121.68 3fq4 s ARG 1015Ca -0.10 -1.80 -0.16 0.00 -0.52 0.00 0.00 55.73 53.15 3fq4 s ARG 1015Cb -0.15 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 3fq4 s ARG 1015CO 0.01 0.21 0.83 0.28 0.02 0.00 0.00 175.30 176.66 3fq4 n VAL 1016N -0.79 -6.93 -2.19 3.52 0.31 -1.26 -1.31 118.33 109.68 3fq4 n VAL 1016Ca -0.05 -1.08 -0.42 0.00 -0.01 0.00 0.00 64.34 62.78 3fq4 n VAL 1016Cb 0.62 -5.04 -0.03 0.00 -0.91 0.00 0.00 33.84 28.48 3fq4 n VAL 1016CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3fq4 s LEU 1017N -6.12 4.38 0.18 7.52 1.02 -1.26 -0.68 118.68 123.72 3fq4 s LEU 1017Ca 0.47 2.32 0.18 0.00 0.02 0.00 0.00 54.13 57.12 3fq4 s LEU 1017Cb -0.14 -3.59 -0.01 0.00 0.02 0.00 0.00 46.19 42.47 3fq4 s LEU 1017CO 0.82 -0.62 1.10 -0.78 0.02 0.00 0.00 176.35 176.90 3fq4 h ASP 1018N 6.55 0.00 0.00 2.29 3.58 -1.93 -3.47 116.42 123.44 3fq4 h ASP 1018Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 3fq4 h ASP 1018Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 3fq4 h ASP 1018CO 0.85 0.38 0.00 0.61 -2.88 0.00 0.00 179.24 178.19 3fq4 n GLY 1019N 1.28 0.85 0.00 -0.78 0.00 -1.26 -5.12 105.19 100.15 3fq4 n GLY 1019Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3fq4 n GLY 1019CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fq4 n GLY 1020N 0.00 3.61 3.84 -0.02 0.00 -1.26 -4.69 105.19 106.67 3fq4 n GLY 1020Ca 0.00 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.52 3fq4 n GLY 1020CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fq4 s LYS 1021N -1.90 3.35 0.02 1.61 -2.85 -1.26 -4.12 119.74 114.59 3fq4 s LYS 1021Ca 0.00 0.90 -0.02 0.00 -1.00 0.00 0.00 55.97 55.85 3fq4 s LYS 1021Cb 0.00 -2.05 -0.01 0.00 -2.06 0.00 0.00 37.83 33.71 3fq4 s LYS 1021CO 0.00 -0.77 0.02 -1.12 0.10 0.00 0.00 175.35 173.59 3fq4 s SER 1022N -3.76 0.18 0.01 0.03 0.01 -0.59 -4.75 113.70 104.83 3fq4 s SER 1022Ca 0.57 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.42 3fq4 s SER 1022Cb -0.13 0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 3fq4 s SER 1022CO 0.50 -0.33 -0.04 -1.58 0.41 0.00 0.00 173.24 172.20 3fq4 s GLN 1023N -1.52 0.29 0.11 12.44 0.74 -0.99 -0.25 119.66 130.48 3fq4 s GLN 1023Ca -0.15 -0.30 0.03 0.00 0.05 0.00 0.00 55.36 54.99 3fq4 s GLN 1023Cb -0.09 -0.17 -0.04 0.00 1.10 0.00 0.00 33.01 33.81 3fq4 s GLN 1023CO -0.01 0.04 -0.08 0.14 -0.55 0.00 0.00 175.29 174.83 3fq4 s VAL 1024N -0.54 0.87 0.26 1.34 -7.23 -0.80 -0.37 120.40 113.94 3fq4 s VAL 1024Ca -0.04 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 3fq4 s VAL 1024Cb -0.04 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 3fq4 s VAL 1024CO -0.00 -0.76 0.51 -0.44 -0.31 0.00 0.00 175.10 174.10 3fq4 s SER 1025N -2.90 6.44 0.04 4.85 0.01 0.68 -0.73 113.70 122.08 3fq4 s SER 1025Ca 0.11 0.64 0.02 0.00 1.31 0.00 0.00 55.95 58.03 3fq4 s SER 1025Cb 0.02 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.12 3fq4 s SER 1025CO -0.02 -0.15 -0.07 -0.72 0.41 0.00 0.00 173.24 172.69 3fq4 s TYR 1026N -2.01 0.58 -0.10 2.43 -0.85 -0.10 -1.28 117.35 116.02 3fq4 s TYR 1026Ca 0.43 -0.50 -0.27 0.00 -0.52 0.00 0.00 57.07 56.20 3fq4 s TYR 1026Cb -0.11 -0.35 0.06 0.00 0.38 0.00 0.00 41.96 41.94 3fq4 s TYR 1026CO 0.29 -0.11 0.64 -0.98 -1.52 0.00 0.00 175.55 173.87 3fq4 s ARG 1027N -1.54 0.94 0.59 -3.49 1.70 -0.60 -1.23 118.95 115.32 3fq4 s ARG 1027Ca -0.11 0.39 -0.14 0.00 -0.47 0.00 0.00 55.73 55.39 3fq4 s ARG 1027Cb -0.10 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 3fq4 s ARG 1027CO 0.00 -0.25 1.03 0.95 -1.08 0.00 0.00 175.30 175.95 3fq4 s THR 1028N -0.80 4.23 -0.08 4.99 -4.23 -0.46 -1.36 115.64 117.95 3fq4 s THR 1028Ca -0.08 0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 3fq4 s THR 1028Cb -0.02 -3.58 0.04 0.00 1.34 0.00 0.00 72.50 70.28 3fq4 s THR 1028CO 0.07 -0.73 0.18 -1.58 -0.54 0.00 0.00 174.62 172.02 3fq4 s GLN 1029N -4.43 0.16 0.53 3.99 0.74 0.19 -4.88 119.66 115.97 3fq4 s GLN 1029Ca 0.60 0.39 -0.22 0.00 0.05 0.00 0.00 55.36 56.18 3fq4 s GLN 1029Cb -0.13 -0.09 -0.06 0.00 1.10 0.00 0.00 33.01 33.84 3fq4 s GLN 1029CO 0.41 -0.13 1.29 -0.25 -0.55 0.00 0.00 175.29 176.07 3fq4 n ASP 1030N 3.90 2.42 0.00 6.67 8.00 -1.26 -0.81 116.55 135.46 3fq4 n ASP 1030Ca -0.23 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.25 3fq4 n ASP 1030Cb 0.54 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3fq4 n ASP 1030CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fq4 n GLY 1031N 0.83 1.48 0.19 0.44 0.00 -0.97 -4.70 105.19 102.47 3fq4 n GLY 1031Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 3fq4 n GLY 1031CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fq4 h THR 1032N 0.00 0.61 -3.47 2.61 1.35 -1.68 -3.42 112.91 108.90 3fq4 h THR 1032Ca 0.00 -1.51 -0.53 0.00 -0.55 0.00 0.00 66.41 63.82 3fq4 h THR 1032Cb 0.00 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 3fq4 h THR 1032CO 0.00 0.30 0.34 0.00 -0.25 0.00 0.00 175.52 175.91 3fq4 s ALA 1033N -3.35 3.22 -0.05 6.62 0.00 0.05 -4.69 121.76 123.55 3fq4 s ALA 1033Ca 0.02 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.56 3fq4 s ALA 1033Cb 0.09 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 3fq4 s ALA 1033CO 0.68 -0.12 -0.20 -0.65 0.00 0.00 0.00 175.76 175.47 3fq4 s GLN 1034N 0.52 2.48 0.32 0.00 -0.21 -1.26 -4.52 119.66 116.98 3fq4 s GLN 1034Ca 0.48 -0.81 -0.29 0.00 0.02 0.00 0.00 55.36 54.77 3fq4 s GLN 1034Cb -0.22 -2.26 -0.13 0.00 1.00 0.00 0.00 33.01 31.41 3fq4 s GLN 1034CO 0.28 0.52 1.27 0.41 -2.12 0.00 0.00 175.29 175.65 3fq4 n GLY 1035N 2.59 0.50 3.49 3.09 0.00 -1.26 -0.49 105.19 113.11 3fq4 n GLY 1035Ca -0.17 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3fq4 n GLY 1035CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fq4 n ASN 1036N 1.05 0.00 -0.03 1.61 3.02 0.41 -4.70 115.26 116.62 3fq4 n ASN 1036Ca 0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.54 3fq4 n ASN 1036Cb 0.35 -1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 38.40 3fq4 n ASN 1036CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3fq4 n ARG 1037N -2.00 0.20 -0.04 3.52 0.63 -0.58 -4.89 116.66 113.50 3fq4 n ARG 1037Ca 0.00 0.08 0.03 0.00 -0.92 0.00 0.00 57.85 57.04 3fq4 n ARG 1037Cb 0.00 -0.83 -0.15 0.00 0.45 0.00 0.00 32.46 31.93 3fq4 n ARG 1037CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3fq4 n ASP 1038N -3.58 0.62 -3.69 6.15 9.92 0.36 -4.67 116.55 121.66 3fq4 n ASP 1038Ca -0.14 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.03 3fq4 n ASP 1038Cb 0.47 1.53 -0.02 0.00 -0.64 0.00 0.00 41.12 42.46 3fq4 n ASP 1038CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3fq4 s TYR 1039N -3.00 -0.30 -0.30 1.24 1.13 -1.23 -1.36 117.35 113.52 3fq4 s TYR 1039Ca -0.08 -0.05 -0.13 0.00 -1.41 0.00 0.00 57.07 55.40 3fq4 s TYR 1039Cb 0.10 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.55 3fq4 s TYR 1039CO 0.77 -1.07 0.26 0.42 -2.51 0.00 0.00 175.55 173.42 3fq4 s ILE 1040N -3.86 5.26 0.64 -3.49 -1.09 -0.05 -0.44 121.20 118.17 3fq4 s ILE 1040Ca 0.07 0.14 -0.16 0.00 -2.23 0.00 0.00 60.65 58.47 3fq4 s ILE 1040Cb -0.04 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 3fq4 s ILE 1040CO -0.01 0.12 1.13 -2.84 -1.23 0.00 0.00 174.94 172.11 3fq4 s PRO 1041N 1.85 2.86 -0.06 2.79 0.02 -1.26 -4.41 135.00 136.80 3fq4 s PRO 1041Ca 0.09 1.49 -0.16 0.00 0.02 0.00 0.00 61.00 62.44 3fq4 s PRO 1041Cb -0.16 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.44 3fq4 s PRO 1041CO 0.11 -1.22 0.37 0.54 -0.33 0.00 0.00 177.00 176.47 3fq4 s VAL 1042N -2.15 0.03 0.03 3.83 0.11 -1.26 -5.05 120.40 115.95 3fq4 s VAL 1042Ca 0.69 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 59.44 3fq4 s VAL 1042Cb -0.22 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3fq4 s VAL 1042CO 0.38 -0.15 0.01 -1.83 -3.33 0.00 0.00 175.10 170.18 3fq4 s GLU 1043N -0.85 0.47 0.00 1.54 4.04 -1.26 -1.35 118.70 121.29 3fq4 s GLU 1043Ca -0.09 -0.79 0.00 0.00 0.04 0.00 0.00 54.97 54.13 3fq4 s GLU 1043Cb -0.04 0.17 0.00 0.00 0.02 0.00 0.00 34.13 34.28 3fq4 s GLU 1043CO 0.04 -0.09 0.00 0.41 -1.84 0.00 0.00 175.26 173.77 3fq4 n GLY 1044N 0.99 -0.57 3.38 -3.83 0.00 -0.37 -4.99 105.19 99.80 3fq4 n GLY 1044Ca -0.20 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3fq4 n GLY 1044CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fq4 s GLU 1045N -0.18 2.04 -0.42 1.61 8.01 -1.26 -0.92 118.70 127.58 3fq4 s GLU 1045Ca 0.00 -0.98 -0.10 0.00 0.01 0.00 0.00 54.97 53.91 3fq4 s GLU 1045Cb 0.00 -2.10 0.07 0.00 -4.31 0.00 0.00 34.13 27.79 3fq4 s GLU 1045CO 0.00 0.55 0.26 -0.51 0.01 0.00 0.00 175.26 175.57 3fq4 s LEU 1046N -1.05 5.12 -0.38 1.80 1.43 0.09 -4.95 118.68 120.73 3fq4 s LEU 1046Ca 0.12 -1.42 -0.14 0.00 -1.03 0.00 0.00 54.13 51.66 3fq4 s LEU 1046Cb -0.10 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3fq4 s LEU 1046CO 0.02 -0.52 0.27 -0.22 0.23 0.00 0.00 176.35 176.13 3fq4 s LEU 1047N 1.46 4.84 -0.31 1.79 2.96 -1.26 -1.91 118.68 126.25 3fq4 s LEU 1047Ca 0.03 -0.71 -0.19 0.00 -0.22 0.00 0.00 54.13 53.05 3fq4 s LEU 1047Cb -0.23 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 3fq4 s LEU 1047CO 0.03 -0.36 0.55 -0.36 -1.32 0.00 0.00 176.35 174.89 3fq4 s PHE 1048N 1.69 3.21 0.75 5.38 0.08 0.65 -4.97 117.98 124.77 3fq4 s PHE 1048Ca 0.05 0.45 -0.11 0.00 0.12 0.00 0.00 56.93 57.44 3fq4 s PHE 1048Cb -0.18 -2.89 0.04 0.00 -0.57 0.00 0.00 43.02 39.42 3fq4 s PHE 1048CO 0.10 -0.44 1.09 -0.65 -0.10 0.00 0.00 175.22 175.22 3fq4 s GLN 1049N 2.44 2.50 0.17 0.44 -1.52 -1.26 -1.54 119.66 120.90 3fq4 s GLN 1049Ca 0.22 0.59 -0.33 0.00 -1.95 0.00 0.00 55.36 53.89 3fq4 s GLN 1049Cb -0.15 -1.97 -0.15 0.00 -0.22 0.00 0.00 33.01 30.52 3fq4 s GLN 1049CO 0.12 -1.32 1.27 -2.30 -0.25 0.00 0.00 175.29 172.81 3fq4 n PRO 1050N -3.22 1.41 0.00 2.91 -0.02 -1.26 -1.38 135.00 133.44 3fq4 n PRO 1050Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3fq4 n PRO 1050Cb 0.56 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3fq4 n PRO 1050CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fq4 n GLY 1051N 2.20 3.03 3.69 -1.23 0.00 -1.26 -5.02 105.19 106.60 3fq4 n GLY 1051Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3fq4 n GLY 1051CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fq4 s GLU 1052N -0.49 4.36 0.00 1.61 2.12 -0.48 -4.91 118.70 120.91 3fq4 s GLU 1052Ca 0.00 1.72 0.09 0.00 0.36 0.00 0.00 54.97 57.14 3fq4 s GLU 1052Cb 0.00 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 3fq4 s GLU 1052CO 0.00 -0.42 0.50 0.00 -0.54 0.00 0.00 175.26 174.80 3fq4 n ALA 1053N 4.98 2.99 -3.53 6.30 0.00 -1.26 -4.77 120.51 125.23 3fq4 n ALA 1053Ca 0.11 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 3fq4 n ALA 1053Cb 0.46 -0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 3fq4 n ALA 1053CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3fq4 s TRP 1054N -1.58 -0.38 0.05 0.00 1.48 -1.26 -0.81 118.94 116.44 3fq4 s TRP 1054Ca 0.06 0.17 -0.01 0.00 -1.06 0.00 0.00 56.10 55.26 3fq4 s TRP 1054Cb 0.07 0.57 -0.04 0.00 -1.16 0.00 0.00 33.47 32.92 3fq4 s TRP 1054CO 0.31 -0.74 -0.03 0.15 -4.06 0.00 0.00 176.95 172.58 3fq4 s LYS 1055N -3.42 0.60 -0.21 3.25 1.02 0.33 -5.00 119.74 116.30 3fq4 s LYS 1055Ca 0.05 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 54.88 3fq4 s LYS 1055Cb -0.01 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.49 3fq4 s LYS 1055CO -0.08 -0.10 -0.15 -2.00 -0.92 0.00 0.00 175.35 172.11 3fq4 s GLU 1056N -3.67 2.81 0.28 1.68 2.12 -1.26 -0.83 118.70 119.84 3fq4 s GLU 1056Ca 0.05 -0.96 -0.26 0.00 0.36 0.00 0.00 54.97 54.16 3fq4 s GLU 1056Cb 0.06 -2.74 -0.09 0.00 0.26 0.00 0.00 34.13 31.61 3fq4 s GLU 1056CO -0.09 -0.33 0.90 -0.51 -0.54 0.00 0.00 175.26 174.70 3fq4 s LEU 1057N 1.26 4.43 -0.26 2.70 1.43 0.21 -4.83 118.68 123.62 3fq4 s LEU 1057Ca 0.01 1.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 3fq4 s LEU 1057Cb -0.15 -3.82 0.07 0.00 0.03 0.00 0.00 46.19 42.32 3fq4 s LEU 1057CO -0.09 0.02 -0.05 -1.10 0.23 0.00 0.00 176.35 175.36 3fq4 s GLN 1058N -1.78 1.75 -0.22 1.70 -0.21 -1.26 -0.14 119.66 119.50 3fq4 s GLN 1058Ca 0.46 -1.25 -0.07 0.00 0.02 0.00 0.00 55.36 54.52 3fq4 s GLN 1058Cb -0.20 -2.75 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 3fq4 s GLN 1058CO 0.25 -0.67 0.06 0.08 -2.12 0.00 0.00 175.29 172.90 3fq4 s VAL 1059N 1.23 4.48 0.25 1.09 1.01 -0.41 -4.93 120.40 123.13 3fq4 s VAL 1059Ca -0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 3fq4 s VAL 1059Cb -0.19 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 3fq4 s VAL 1059CO -0.07 0.39 1.23 -0.54 0.00 0.00 0.00 175.10 176.11 3fq4 s LYS 1060N 1.09 4.47 -0.00 2.72 1.02 -1.26 -0.47 119.74 127.31 3fq4 s LYS 1060Ca 0.04 1.99 0.02 0.00 0.02 0.00 0.00 55.97 58.04 3fq4 s LYS 1060Cb -0.14 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 3fq4 s LYS 1060CO 0.03 -0.08 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.86 3fq4 s LEU 1061N -0.94 3.42 -0.01 3.17 1.43 -0.33 -0.87 118.68 124.56 3fq4 s LEU 1061Ca 0.51 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 3fq4 s LEU 1061Cb -0.35 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3fq4 s LEU 1061CO 0.43 0.28 -0.05 -0.76 0.23 0.00 0.00 176.35 176.48 3fq4 s LEU 1062N -1.52 3.26 0.22 1.79 1.43 -0.47 -4.53 118.68 118.86 3fq4 s LEU 1062Ca 0.19 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 3fq4 s LEU 1062Cb -0.11 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 3fq4 s LEU 1062CO 0.09 0.30 0.48 -1.61 0.23 0.00 0.00 176.35 175.84 3fq4 s GLU 1063N -1.34 3.66 0.00 1.70 2.02 -1.26 -4.74 118.70 118.74 3fq4 s GLU 1063Ca 0.17 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.17 3fq4 s GLU 1063Cb -0.11 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.39 3fq4 s GLU 1063CO 0.07 0.34 0.00 1.28 0.02 0.00 0.00 175.26 176.97 3fq4 n LEU 1064N -0.39 0.37 0.00 1.80 4.77 -1.26 -5.01 117.00 117.28 3fq4 n LEU 1064Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3fq4 n LEU 1064Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3fq4 n LEU 1064CO 0.47 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 174.42 3fq4 n ARG 1074N -0.46 0.00 -3.97 3.23 1.85 -1.26 -5.25 116.66 110.80 3fq4 n ARG 1074Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 3fq4 n ARG 1074Cb 0.00 -1.85 -0.08 0.00 -1.05 0.00 0.00 32.46 29.48 3fq4 n ARG 1074CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3fq4 s GLN 1075N 0.00 3.68 -0.04 2.89 0.74 -1.26 -5.03 119.66 120.64 3fq4 s GLN 1075Ca 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.16 3fq4 s GLN 1075Cb 0.00 -3.18 0.02 0.00 1.10 0.00 0.00 33.01 30.96 3fq4 s GLN 1075CO 0.00 0.52 -0.02 0.08 -0.55 0.00 0.00 175.29 175.32 3fq4 s VAL 1076N -0.31 0.36 0.05 1.34 1.01 -1.26 -2.63 120.40 118.96 3fq4 s VAL 1076Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3fq4 s VAL 1076Cb -0.12 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3fq4 s VAL 1076CO 0.01 0.20 -0.06 -0.13 0.00 0.00 0.00 175.10 175.13 3fq4 s ARG 1077N 1.20 0.56 -0.01 2.72 0.52 -0.73 -4.98 118.95 118.24 3fq4 s ARG 1077Ca -0.07 -0.91 0.05 0.00 -0.52 0.00 0.00 55.73 54.28 3fq4 s ARG 1077Cb -0.14 -0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.19 3fq4 s ARG 1077CO -0.02 -0.00 -0.15 1.03 0.02 0.00 0.00 175.30 176.17 3fq4 s ARG 1078N -2.32 1.25 0.40 3.54 0.52 -1.26 -0.22 118.95 120.86 3fq4 s ARG 1078Ca -0.04 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 54.65 3fq4 s ARG 1078Cb -0.05 -1.21 -0.05 0.00 0.52 0.00 0.00 34.95 34.17 3fq4 s ARG 1078CO -0.02 0.33 0.05 -0.59 0.02 0.00 0.00 175.30 175.09 3fq4 s PHE 1079N -0.36 2.01 0.16 -0.53 -0.12 -0.76 -0.77 117.98 117.60 3fq4 s PHE 1079Ca 0.06 -0.99 0.09 0.00 -0.05 0.00 0.00 56.93 56.04 3fq4 s PHE 1079Cb -0.06 -1.42 -0.04 0.00 -0.63 0.00 0.00 43.02 40.87 3fq4 s PHE 1079CO -0.01 0.06 -0.18 -1.01 -0.05 0.00 0.00 175.22 174.03 3fq4 s HIS 1080N -3.07 1.82 -0.04 3.49 3.76 0.01 -0.55 115.29 120.72 3fq4 s HIS 1080Ca 0.26 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.74 3fq4 s HIS 1080Cb 0.06 -0.91 0.00 0.00 1.11 0.00 0.00 32.58 32.84 3fq4 s HIS 1080CO 0.13 0.33 -0.13 0.08 -0.85 0.00 0.00 174.74 174.30 3fq4 s VAL 1081N -2.02 1.13 -0.02 -0.90 1.01 -0.12 -0.64 120.40 118.84 3fq4 s VAL 1081Ca 0.16 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3fq4 s VAL 1081Cb -0.06 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3fq4 s VAL 1081CO 0.07 0.34 -0.22 -1.10 0.00 0.00 0.00 175.10 174.18 3fq4 s GLN 1082N 0.19 1.85 0.09 2.72 -0.21 -0.46 -0.93 119.66 122.90 3fq4 s GLN 1082Ca -0.05 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 54.50 3fq4 s GLN 1082Cb -0.11 -1.76 -0.05 0.00 1.00 0.00 0.00 33.01 32.09 3fq4 s GLN 1082CO 0.02 0.46 0.30 -0.51 -2.12 0.00 0.00 175.29 173.43 3fq4 s LEU 1083N -0.47 4.32 0.33 2.90 1.43 -0.06 -1.56 118.68 125.58 3fq4 s LEU 1083Ca 0.07 0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 53.47 3fq4 s LEU 1083Cb -0.09 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.11 3fq4 s LEU 1083CO -0.00 0.13 0.74 -0.94 0.23 0.00 0.00 176.35 176.51 3fq4 s SER 1084N -2.31 -0.08 -1.16 2.29 1.04 -0.41 -4.90 113.70 108.16 3fq4 s SER 1084Ca 0.36 -0.92 -0.15 0.00 0.48 0.00 0.00 55.95 55.73 3fq4 s SER 1084Cb -0.13 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 3fq4 s SER 1084CO 0.24 -1.51 0.77 -3.20 0.98 0.00 0.00 173.24 170.53 3fq4 n ASN 1085N -0.96 -4.64 -4.77 7.02 5.15 -1.26 -0.23 115.26 115.57 3fq4 n ASN 1085Ca -0.06 -0.95 -0.40 0.00 -0.60 0.00 0.00 54.58 52.57 3fq4 n ASN 1085Cb 0.60 -3.71 -0.01 0.00 -0.53 0.00 0.00 39.78 36.12 3fq4 n ASN 1085CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3fq4 s PRO 1086N -5.79 4.23 0.18 1.20 0.04 -1.26 -3.84 135.00 129.77 3fq4 s PRO 1086Ca 0.38 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.69 3fq4 s PRO 1086Cb -0.12 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 3fq4 s PRO 1086CO 0.84 -0.31 0.02 0.15 0.04 0.00 0.00 177.00 177.74 3fq4 s LYS 1087N -1.94 1.13 -1.71 4.56 1.02 0.51 -4.83 119.74 118.47 3fq4 s LYS 1087Ca 0.51 -1.55 -0.00 0.00 0.02 0.00 0.00 55.97 54.95 3fq4 s LYS 1087Cb -0.40 -0.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 3fq4 s LYS 1087CO 0.53 -0.17 0.03 1.19 -0.92 0.00 0.00 175.35 176.02 3fq4 n PHE 1088N -0.25 -1.00 -0.30 3.18 3.72 -1.26 -2.34 117.46 119.20 3fq4 n PHE 1088Ca -0.05 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3fq4 n PHE 1088Cb 0.64 -3.90 0.00 0.00 -0.94 0.00 0.00 39.48 35.28 3fq4 n PHE 1088CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fq4 n GLY 1089N -1.04 0.68 3.77 1.37 0.00 -1.26 -4.68 105.19 104.02 3fq4 n GLY 1089Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3fq4 n GLY 1089CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fq4 s ALA 1090N -2.53 2.42 0.07 4.61 0.00 -0.99 -4.74 121.76 120.61 3fq4 s ALA 1090Ca 0.00 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.56 3fq4 s ALA 1090Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3fq4 s ALA 1090CO 0.00 -1.36 -0.12 -1.01 0.00 0.00 0.00 175.76 173.27 3fq4 s HIS 1091N -2.34 1.08 0.00 0.00 3.76 -0.63 -4.56 115.29 112.60 3fq4 s HIS 1091Ca 0.67 -0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 54.87 3fq4 s HIS 1091Cb -0.21 -0.61 -0.06 0.00 1.11 0.00 0.00 32.58 32.82 3fq4 s HIS 1091CO 0.43 0.02 0.56 -0.51 -0.85 0.00 0.00 174.74 174.38 3fq4 s LEU 1092N -1.90 4.43 0.00 0.89 1.43 -1.26 -0.10 118.68 122.17 3fq4 s LEU 1092Ca -0.01 1.12 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 3fq4 s LEU 1092Cb -0.08 -2.85 0.01 0.00 0.03 0.00 0.00 46.19 43.29 3fq4 s LEU 1092CO 0.01 0.15 0.08 0.61 0.23 0.00 0.00 176.35 177.44 3fq4 n GLY 1093N 2.31 2.69 3.57 -3.19 0.00 0.22 -4.78 105.19 106.01 3fq4 n GLY 1093Ca -0.08 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.42 3fq4 n GLY 1093CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fq4 s GLN 1094N -2.38 3.83 0.13 1.61 -1.52 -1.26 -2.51 119.66 117.55 3fq4 s GLN 1094Ca 0.06 -0.43 -0.21 0.00 -1.95 0.00 0.00 55.36 52.84 3fq4 s GLN 1094Cb -0.01 -3.08 -0.07 0.00 -0.22 0.00 0.00 33.01 29.64 3fq4 s GLN 1094CO 0.04 0.25 0.64 -1.25 -0.25 0.00 0.00 175.29 174.72 3fq4 s PRO 1095N 0.39 4.29 0.00 2.91 0.04 -1.26 -4.87 135.00 136.50 3fq4 s PRO 1095Ca -0.00 0.85 0.21 0.00 0.04 0.00 0.00 61.00 62.09 3fq4 s PRO 1095Cb -0.13 -3.17 0.28 0.00 0.04 0.00 0.00 34.50 31.52 3fq4 s PRO 1095CO 0.02 0.57 1.25 -2.39 0.04 0.00 0.00 177.00 176.48 3fq4 n HIS 1096N 1.46 0.24 -4.24 0.56 1.44 -1.04 -0.93 115.22 112.70 3fq4 n HIS 1096Ca -0.08 -0.14 -0.14 0.00 -2.01 0.00 0.00 57.72 55.36 3fq4 n HIS 1096Cb 0.50 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.51 3fq4 n HIS 1096CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3fq4 s SER 1097N -1.53 1.73 0.09 4.39 1.04 -1.26 -0.88 113.70 117.28 3fq4 s SER 1097Ca 0.30 -1.02 -0.08 0.00 0.48 0.00 0.00 55.95 55.62 3fq4 s SER 1097Cb 0.19 0.00 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 3fq4 s SER 1097CO 0.27 -0.35 0.18 0.28 0.98 0.00 0.00 173.24 174.60 3fq4 s THR 1098N -3.36 0.15 -0.11 2.02 -1.32 -0.11 -4.69 115.64 108.22 3fq4 s THR 1098Ca 0.16 -1.20 0.02 0.00 -1.21 0.00 0.00 61.69 59.47 3fq4 s THR 1098Cb 0.03 -1.33 -0.01 0.00 -1.51 0.00 0.00 72.50 69.68 3fq4 s THR 1098CO 0.00 -0.66 -0.19 -0.89 -2.21 0.00 0.00 174.62 170.67 3fq4 s THR 1099N -3.83 2.52 -0.29 5.08 2.01 -0.32 -0.94 115.64 119.86 3fq4 s THR 1099Ca 0.05 -0.86 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 3fq4 s THR 1099Cb 0.05 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 3fq4 s THR 1099CO -0.11 0.54 0.12 -0.63 -0.69 0.00 0.00 174.62 173.85 3fq4 s ILE 1100N 0.32 4.44 -0.32 1.82 -1.09 0.29 -1.07 121.20 125.59 3fq4 s ILE 1100Ca -0.15 -0.37 -0.14 0.00 -2.23 0.00 0.00 60.65 57.76 3fq4 s ILE 1100Cb -0.17 -3.21 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 3fq4 s ILE 1100CO 0.07 0.16 0.32 -0.63 -1.23 0.00 0.00 174.94 173.63 3fq4 s ILE 1101N 1.60 5.21 -0.31 2.92 1.01 0.14 -1.83 121.20 129.95 3fq4 s ILE 1101Ca 0.05 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 3fq4 s ILE 1101Cb -0.16 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3fq4 s ILE 1101CO 0.05 0.01 0.23 -0.63 0.00 0.00 0.00 174.94 174.60 3fq4 s ILE 1102N 1.94 5.28 0.14 2.92 1.01 0.69 -1.05 121.20 132.13 3fq4 s ILE 1102Ca 0.11 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.86 3fq4 s ILE 1102Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3fq4 s ILE 1102CO 0.11 0.12 -0.05 -0.13 0.00 0.00 0.00 174.94 174.99 3fq4 s ARG 1103N 1.78 2.29 0.64 2.79 0.52 -0.07 -1.77 118.95 125.12 3fq4 s ARG 1103Ca 0.07 -1.05 -0.16 0.00 -0.52 0.00 0.00 55.73 54.07 3fq4 s ARG 1103Cb -0.17 -2.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 3fq4 s ARG 1103CO 0.11 0.49 1.13 -0.51 0.02 0.00 0.00 175.30 176.53 3fq4 s ASP 1104N -2.56 5.15 0.00 0.23 1.01 -1.08 -0.78 116.67 118.64 3fq4 s ASP 1104Ca 0.25 2.09 0.02 0.00 0.71 0.00 0.00 52.55 55.62 3fq4 s ASP 1104Cb -0.10 -2.56 0.14 0.00 1.01 0.00 0.00 42.92 41.40 3fq4 s ASP 1104CO 0.16 -1.61 0.63 -2.65 0.21 0.00 0.00 175.17 171.91