#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rj3 h ASP 1005N 0.00 0.00 -2.11 4.04 3.32 -1.69 -3.46 116.42 116.52 2rj3 h ASP 1005Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2rj3 h ASP 1005Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 2rj3 h ASP 1005CO 0.00 0.15 -0.71 0.68 -1.72 0.00 0.00 179.24 177.64 2rj3 s VAL 1006N -3.56 2.56 0.00 -1.35 -7.23 -1.23 -5.08 120.40 104.52 2rj3 s VAL 1006Ca 0.02 -2.25 -0.16 0.00 -1.81 0.00 0.00 61.98 57.77 2rj3 s VAL 1006Cb 0.09 -2.51 -0.34 0.00 0.56 0.00 0.00 36.38 34.18 2rj3 s VAL 1006CO 0.62 -0.33 0.92 0.15 -0.31 0.00 0.00 175.10 176.15 2rj3 h PHE 1007N 2.11 0.86 0.02 2.82 3.57 -1.94 -3.39 116.94 120.99 2rj3 h PHE 1007Ca -0.41 -0.63 -0.39 0.00 3.53 0.00 0.00 57.97 60.07 2rj3 h PHE 1007Cb 1.26 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 2rj3 h PHE 1007CO 0.77 1.54 -2.32 0.72 -2.23 0.00 0.00 178.31 176.80 2rj3 n HIS 1008N -3.78 0.31 0.20 0.41 8.25 -1.26 -4.71 115.22 114.64 2rj3 n HIS 1008Ca -0.18 0.08 0.09 0.00 -0.26 0.00 0.00 57.72 57.46 2rj3 n HIS 1008Cb 1.05 -1.04 0.25 0.00 1.12 0.00 0.00 29.99 31.37 2rj3 n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2rj3 h LEU 1009N -0.29 0.00 -0.31 2.41 4.07 -1.93 -3.45 115.31 115.81 2rj3 h LEU 1009Ca -0.56 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.18 2rj3 h LEU 1009Cb 1.82 0.00 0.05 0.00 1.08 0.00 0.00 40.66 43.61 2rj3 h LEU 1009CO -0.14 0.22 -0.34 0.61 -1.08 0.00 0.00 178.44 177.70 2rj3 n GLY 1010N 0.79 0.10 3.21 0.83 0.00 -1.26 -4.72 105.19 104.13 2rj3 n GLY 1010Ca 0.02 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 2rj3 n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 1011N -4.08 2.18 0.28 0.99 1.43 -1.26 -4.82 118.68 113.40 2rj3 s LEU 1011Ca 0.24 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2rj3 s LEU 1011Cb -0.10 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 2rj3 s LEU 1011CO 0.29 0.10 0.02 0.28 0.23 0.00 0.00 176.35 177.27 2rj3 s THR 1012N -0.85 3.32 0.44 5.49 -1.32 -1.26 -1.67 115.64 119.80 2rj3 s THR 1012Ca 0.05 -1.89 0.11 0.00 -1.21 0.00 0.00 61.69 58.75 2rj3 s THR 1012Cb -0.08 -2.86 0.24 0.00 -1.51 0.00 0.00 72.50 68.29 2rj3 s THR 1012CO 0.02 -0.33 2.06 0.11 -2.21 0.00 0.00 174.62 174.26 2rj3 h LYS 1013N 1.83 0.27 -0.94 7.08 1.57 -1.97 -1.73 116.57 122.69 2rj3 h LYS 1013Ca -0.44 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.33 2rj3 h LYS 1013Cb 1.25 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 2rj3 h LYS 1013CO 0.61 0.23 0.62 -0.97 -0.57 0.00 0.00 179.45 179.37 2rj3 h ASN 1014N 0.28 1.06 -0.99 0.86 -0.00 -1.96 -2.49 115.58 112.34 2rj3 h ASN 1014Ca 0.07 -0.02 0.26 0.00 -0.00 0.00 0.00 56.30 56.61 2rj3 h ASN 1014Cb 0.06 -0.26 -0.07 0.00 -0.00 0.00 0.00 38.32 38.06 2rj3 h ASN 1014CO -0.01 0.75 0.67 0.44 -0.00 0.00 0.00 177.43 179.28 2rj3 h ASP 1015N 1.24 0.29 1.30 1.15 3.32 -1.72 -0.97 116.42 121.03 2rj3 h ASP 1015Ca 0.35 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.37 2rj3 h ASP 1015Cb -0.10 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2rj3 h ASP 1015CO -0.09 0.08 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.07 2rj3 h LEU 1016N 0.27 0.00 -1.04 1.55 4.07 -1.52 -3.47 115.31 115.16 2rj3 h LEU 1016Ca 0.52 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 58.01 2rj3 h LEU 1016Cb 1.54 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.25 2rj3 h LEU 1016CO -0.16 0.38 -0.76 0.00 -1.08 0.00 0.00 178.44 176.81 2rj3 n GLN 1017N -3.30 -5.47 -0.84 1.13 1.13 -0.37 -1.36 117.38 108.30 2rj3 n GLN 1017Ca 0.01 0.60 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 2rj3 n GLN 1017Cb 0.61 -5.46 0.00 0.00 0.11 0.00 0.00 30.24 25.50 2rj3 n GLN 1017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rj3 n GLY 1018N -1.69 0.73 3.78 1.08 0.00 -1.26 -4.69 105.19 103.13 2rj3 n GLY 1018Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2rj3 n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 s ALA 1019N -2.72 3.60 0.00 4.61 0.00 -0.46 -4.90 121.76 121.88 2rj3 s ALA 1019Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2rj3 s ALA 1019Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2rj3 s ALA 1019CO 0.00 -1.05 0.33 1.04 0.00 0.00 0.00 175.76 176.08 2rj3 n GLN 1020N 0.69 -0.31 -5.16 0.00 6.02 -1.26 -4.39 117.38 112.97 2rj3 n GLN 1020Ca 0.02 -0.33 -0.32 0.00 -0.01 0.00 0.00 57.00 56.36 2rj3 n GLN 1020Cb 0.39 -0.82 -0.15 0.00 1.02 0.00 0.00 30.24 30.68 2rj3 n GLN 1020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2rj3 s LEU 1021N -0.10 2.27 -0.07 1.08 0.20 -1.26 -1.61 118.68 119.19 2rj3 s LEU 1021Ca 0.00 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.45 2rj3 s LEU 1021Cb 0.00 -1.42 0.00 0.00 -0.43 0.00 0.00 46.19 44.34 2rj3 s LEU 1021CO 0.00 0.29 -0.19 0.00 -0.29 0.00 0.00 176.35 176.16 2rj3 s ALA 1022N -0.40 1.73 -0.22 5.97 0.00 0.44 -1.55 121.76 127.73 2rj3 s ALA 1022Ca 0.04 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 2rj3 s ALA 1022Cb -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2rj3 s ALA 1022CO 0.02 0.25 0.34 0.42 0.00 0.00 0.00 175.76 176.79 2rj3 s ILE 1023N 0.28 5.23 -0.64 0.00 1.01 0.43 -0.42 121.20 127.08 2rj3 s ILE 1023Ca -0.12 0.57 0.05 0.00 0.00 0.00 0.00 60.65 61.15 2rj3 s ILE 1023Cb -0.15 -3.68 0.16 0.00 0.01 0.00 0.00 42.46 38.80 2rj3 s ILE 1023CO 0.05 0.25 0.42 0.68 0.00 0.00 0.00 174.94 176.34 2rj3 s VAL 1024N 1.43 2.70 0.76 2.92 -7.23 0.12 -1.04 120.40 120.06 2rj3 s VAL 1024Ca 0.16 -3.93 -0.11 0.00 -1.81 0.00 0.00 61.98 56.28 2rj3 s VAL 1024Cb -0.15 -2.80 0.05 0.00 0.56 0.00 0.00 36.38 34.03 2rj3 s VAL 1024CO 0.08 -0.95 1.08 -2.16 -0.31 0.00 0.00 175.10 172.83 2rj3 s PRO 1025N -1.06 2.42 -0.02 4.82 0.04 -1.24 -3.95 135.00 136.02 2rj3 s PRO 1025Ca 0.23 0.86 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 2rj3 s PRO 1025Cb -0.11 -1.94 -0.26 0.00 0.04 0.00 0.00 34.50 32.23 2rj3 s PRO 1025CO -0.12 -1.44 1.02 0.78 0.04 0.00 0.00 177.00 177.28 2rj3 h GLY 1026N -0.97 0.40 -5.30 0.56 0.00 -1.86 -0.76 103.07 95.15 2rj3 h GLY 1026Ca -0.45 -0.81 -0.58 0.00 0.00 0.00 0.00 47.33 45.49 2rj3 h GLY 1026CO 0.57 0.71 0.54 -0.35 0.00 0.00 0.00 176.54 178.01 2rj3 s ASP 1027N -6.81 7.00 0.62 0.19 3.68 -1.26 -1.66 116.67 118.43 2rj3 s ASP 1027Ca -0.13 1.24 0.36 0.00 2.13 0.00 0.00 52.55 56.15 2rj3 s ASP 1027Cb 0.02 -2.49 2.04 0.00 -1.45 0.00 0.00 42.92 41.05 2rj3 s ASP 1027CO 0.82 -0.50 2.29 1.55 0.13 0.00 0.00 175.17 179.46 2rj3 h PRO 1028N 7.41 0.00 0.00 4.34 0.13 -1.87 -2.20 132.00 139.81 2rj3 h PRO 1028Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2rj3 h PRO 1028Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2rj3 h PRO 1028CO 0.88 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 179.05 2rj3 n GLU 1029N -3.49 0.22 0.15 0.86 1.02 -1.26 -3.42 120.64 114.72 2rj3 n GLU 1029Ca -0.03 0.19 0.11 0.00 -0.02 0.00 0.00 57.16 57.41 2rj3 n GLU 1029Cb 0.09 -1.76 0.06 0.00 -0.02 0.00 0.00 31.44 29.81 2rj3 n GLU 1029CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2rj3 h ARG 1030N 0.00 0.00 -0.31 3.49 2.43 -1.81 -3.38 114.38 114.80 2rj3 h ARG 1030Ca 0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2rj3 h ARG 1030Cb 0.69 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.17 2rj3 h ARG 1030CO 0.00 0.04 -0.18 0.28 -1.51 0.00 0.00 179.97 178.61 2rj3 h VAL 1031N 0.00 0.49 -0.42 0.20 2.07 -1.64 -1.22 116.25 115.73 2rj3 h VAL 1031Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2rj3 h VAL 1031Cb 1.06 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2rj3 h VAL 1031CO 0.01 0.00 0.25 -0.08 0.02 0.00 0.00 177.57 177.77 2rj3 h GLU 1032N -0.14 0.49 -0.77 1.57 4.81 -1.80 -1.73 114.58 117.02 2rj3 h GLU 1032Ca 0.16 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.45 2rj3 h GLU 1032Cb 0.38 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 2rj3 h GLU 1032CO -0.40 0.33 0.42 0.87 -0.73 0.00 0.00 179.01 179.50 2rj3 h LYS 1033N 0.51 0.70 -0.24 1.92 1.57 -1.55 -0.64 116.57 118.84 2rj3 h LYS 1033Ca 0.17 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2rj3 h LYS 1033Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2rj3 h LYS 1033CO -0.07 0.47 -0.15 0.82 -0.57 0.00 0.00 179.45 179.94 2rj3 h ILE 1034N 0.72 1.31 0.00 1.86 2.04 -1.09 -3.06 117.51 119.30 2rj3 h ILE 1034Ca 0.37 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 2rj3 h ILE 1034Cb 0.33 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2rj3 h ILE 1034CO -0.24 0.39 -0.06 0.00 0.00 0.00 0.00 178.15 178.24 2rj3 h ALA 1035N 0.70 1.13 0.00 1.87 0.00 -0.92 -2.29 119.26 119.75 2rj3 h ALA 1035Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rj3 h ALA 1035Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2rj3 h ALA 1035CO 0.04 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2rj3 n ALA 1036N -2.18 1.92 0.89 0.00 0.00 -0.28 -2.22 120.51 118.64 2rj3 n ALA 1036Ca -0.01 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.49 2rj3 n ALA 1036Cb 0.22 -1.37 0.28 0.00 0.00 0.00 0.00 19.45 18.59 2rj3 n ALA 1036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rj3 n LEU 1037N -1.82 2.11 -4.71 0.00 4.77 -0.86 -4.93 117.00 111.56 2rj3 n LEU 1037Ca 0.04 -0.96 -0.32 0.00 -0.03 0.00 0.00 56.01 54.75 2rj3 n LEU 1037Cb 0.27 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2rj3 n LEU 1037CO 0.21 0.48 -0.23 -0.04 -1.33 0.00 0.00 177.39 176.48 2rj3 s MET 1038N -1.61 2.16 -0.01 3.23 -1.94 -0.94 -5.07 119.30 115.12 2rj3 s MET 1038Ca 0.31 -2.39 -0.10 0.00 -1.71 0.00 0.00 55.69 51.81 2rj3 s MET 1038Cb 0.17 -1.26 -0.05 0.00 2.01 0.00 0.00 34.83 35.70 2rj3 s MET 1038CO 0.24 -0.44 0.30 -0.51 -0.01 0.00 0.00 175.02 174.61 2rj3 s ASP 1039N -3.83 6.59 -1.20 3.03 1.01 0.37 -4.55 116.67 118.09 2rj3 s ASP 1039Ca 0.07 0.70 -0.19 0.00 0.71 0.00 0.00 52.55 53.85 2rj3 s ASP 1039Cb 0.01 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.79 2rj3 s ASP 1039CO 0.05 0.30 0.70 0.29 0.21 0.00 0.00 175.17 176.71 2rj3 n LYS 1040N 1.49 -1.48 -2.46 8.23 4.76 -1.26 0.12 118.16 127.55 2rj3 n LYS 1040Ca -0.13 0.39 -0.41 0.00 -2.87 0.00 0.00 58.31 55.28 2rj3 n LYS 1040Cb 0.53 -3.96 -0.04 0.00 -1.84 0.00 0.00 35.03 29.73 2rj3 n LYS 1040CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2rj3 s PRO 1041N -6.32 4.54 -0.02 1.97 0.04 -1.26 -4.35 135.00 129.59 2rj3 s PRO 1041Ca 0.38 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.21 2rj3 s PRO 1041Cb -0.15 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2rj3 s PRO 1041CO 0.88 -0.03 -0.09 0.54 0.04 0.00 0.00 177.00 178.35 2rj3 s VAL 1042N 0.05 0.76 0.09 -0.36 0.11 0.71 -4.99 120.40 116.76 2rj3 s VAL 1042Ca 0.52 -0.35 -0.31 0.00 -2.93 0.00 0.00 61.98 58.91 2rj3 s VAL 1042Cb -0.30 -0.67 -0.07 0.00 -1.53 0.00 0.00 36.38 33.81 2rj3 s VAL 1042CO 0.34 0.24 1.34 -0.75 -3.33 0.00 0.00 175.10 172.94 2rj3 s LYS 1043N 0.15 4.35 -0.23 1.54 2.20 -1.26 -1.05 119.74 125.43 2rj3 s LYS 1043Ca -0.02 1.99 -0.16 0.00 -0.36 0.00 0.00 55.97 57.42 2rj3 s LYS 1043Cb -0.08 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 32.85 2rj3 s LYS 1043CO 0.00 -0.40 -0.29 1.28 -0.36 0.00 0.00 175.35 175.58 2rj3 n LEU 1044N 4.03 1.93 -3.47 5.43 4.77 -0.53 -4.92 117.00 124.24 2rj3 n LEU 1044Ca 0.11 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.33 2rj3 n LEU 1044Cb 0.43 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2rj3 n LEU 1044CO 0.58 0.22 0.51 0.00 -1.33 0.00 0.00 177.39 177.37 2rj3 s ALA 1045N -2.64 -1.71 -0.15 -1.18 0.00 -1.15 -5.02 121.76 109.91 2rj3 s ALA 1045Ca -0.33 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 2rj3 s ALA 1045Cb 0.10 0.52 0.06 0.00 0.00 0.00 0.00 23.12 23.80 2rj3 s ALA 1045CO 0.46 -0.66 0.10 0.45 0.00 0.00 0.00 175.76 176.12 2rj3 s SER 1046N -2.34 2.04 -0.04 0.00 0.15 -1.26 -0.77 113.70 111.47 2rj3 s SER 1046Ca 0.00 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2rj3 s SER 1046Cb -0.01 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 2rj3 s SER 1046CO -0.08 -0.33 -0.00 -1.00 1.20 0.00 0.00 173.24 173.03 2rj3 s HIS 1047N 2.17 0.45 0.00 3.44 3.76 -0.28 -4.98 115.29 119.84 2rj3 s HIS 1047Ca 0.03 -0.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 2rj3 s HIS 1047Cb -0.15 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.00 2rj3 s HIS 1047CO -0.08 -0.18 0.00 0.54 -0.85 0.00 0.00 174.74 174.16 2rj3 n ARG 1048N 4.38 0.00 -0.02 1.40 1.74 -1.26 0.05 116.66 122.96 2rj3 n ARG 1048Ca -0.21 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.00 2rj3 n ARG 1048Cb 0.50 0.00 0.52 0.00 -1.02 0.00 0.00 32.46 32.47 2rj3 n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2rj3 n GLU 1049N 14.00 1.61 -3.32 5.56 0.00 -1.26 -4.79 120.64 132.44 2rj3 n GLU 1049Ca 0.00 -0.90 -0.47 0.00 0.00 0.00 0.00 57.16 55.79 2rj3 n GLU 1049Cb 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 31.44 29.95 2rj3 n GLU 1049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2rj3 s PHE 1050N -1.95 3.53 -0.23 -1.84 0.40 0.11 -4.19 117.98 113.81 2rj3 s PHE 1050Ca 0.37 -1.67 -0.10 0.00 -0.60 0.00 0.00 56.93 54.93 2rj3 s PHE 1050Cb 0.20 -3.81 -0.05 0.00 0.51 0.00 0.00 43.02 39.87 2rj3 s PHE 1050CO 0.32 -1.01 0.14 0.99 0.70 0.00 0.00 175.22 176.36 2rj3 s THR 1051N 0.82 5.21 0.03 0.64 2.01 -1.26 -1.13 115.64 121.97 2rj3 s THR 1051Ca 0.11 0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.31 2rj3 s THR 1051Cb -0.19 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2rj3 s THR 1051CO -0.04 0.37 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.11 2rj3 s SER 1052N 0.94 2.61 0.02 3.53 1.04 0.05 -1.63 113.70 120.25 2rj3 s SER 1052Ca 0.07 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.01 2rj3 s SER 1052Cb -0.13 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 2rj3 s SER 1052CO 0.03 0.20 -0.08 0.26 0.98 0.00 0.00 173.24 174.63 2rj3 s TRP 1053N -0.75 0.66 -0.03 5.02 0.52 0.90 -1.46 118.94 123.81 2rj3 s TRP 1053Ca 0.08 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 55.91 2rj3 s TRP 1053Cb -0.09 -0.41 -0.03 0.00 -1.15 0.00 0.00 33.47 31.79 2rj3 s TRP 1053CO 0.01 -0.04 -0.03 0.50 0.02 0.00 0.00 176.95 177.42 2rj3 s ARG 1054N -0.89 2.76 0.24 4.98 3.52 -0.22 -0.44 118.95 128.91 2rj3 s ARG 1054Ca -0.03 -0.59 -0.10 0.00 -0.13 0.00 0.00 55.73 54.88 2rj3 s ARG 1054Cb -0.06 -2.64 -0.01 0.00 -1.56 0.00 0.00 34.95 30.67 2rj3 s ARG 1054CO 0.00 0.64 0.41 0.00 -0.81 0.00 0.00 175.30 175.54 2rj3 s ALA 1055N -0.98 0.09 -0.11 6.12 0.00 -0.40 -0.21 121.76 126.27 2rj3 s ALA 1055Ca 0.17 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 2rj3 s ALA 1055Cb -0.11 1.14 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 2rj3 s ALA 1055CO 0.07 -0.80 -0.02 -1.21 0.00 0.00 0.00 175.76 173.80 2rj3 s GLU 1056N -4.01 3.17 -0.16 0.00 2.02 0.32 -0.53 118.70 119.52 2rj3 s GLU 1056Ca 0.26 -0.46 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 2rj3 s GLU 1056Cb 0.01 -2.81 0.04 0.00 0.10 0.00 0.00 34.13 31.47 2rj3 s GLU 1056CO 0.10 0.55 -0.03 -1.17 0.02 0.00 0.00 175.26 174.73 2rj3 s LEU 1057N -0.47 1.49 -1.44 1.80 2.96 0.60 -0.48 118.68 123.13 2rj3 s LEU 1057Ca 0.08 -0.66 -0.11 0.00 -0.22 0.00 0.00 54.13 53.22 2rj3 s LEU 1057Cb -0.12 -0.83 0.08 0.00 0.50 0.00 0.00 46.19 45.82 2rj3 s LEU 1057CO 0.02 -0.21 0.71 0.47 -1.32 0.00 0.00 176.35 176.02 2rj3 n ASP 1058N 4.92 -4.43 0.00 3.68 10.43 -1.26 -1.75 116.55 128.14 2rj3 n ASP 1058Ca -0.11 -0.56 0.00 0.00 2.57 0.00 0.00 54.79 56.69 2rj3 n ASP 1058Cb 0.48 -3.60 0.00 0.00 1.84 0.00 0.00 41.12 39.84 2rj3 n ASP 1058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2rj3 n GLY 1059N -1.42 2.18 3.89 0.44 0.00 -1.26 -5.04 105.19 103.98 2rj3 n GLY 1059Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2rj3 n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rj3 s LYS 1060N -0.46 3.56 0.28 1.61 -0.14 -0.72 -5.03 119.74 118.85 2rj3 s LYS 1060Ca 0.00 -0.14 -0.29 0.00 -1.36 0.00 0.00 55.97 54.18 2rj3 s LYS 1060Cb 0.00 -3.05 -0.10 0.00 -1.68 0.00 0.00 37.83 33.00 2rj3 s LYS 1060CO 0.00 0.63 1.14 0.00 -0.76 0.00 0.00 175.35 176.36 2rj3 s ALA 1061N -1.36 3.43 -0.04 5.17 0.00 -1.26 -0.29 121.76 127.40 2rj3 s ALA 1061Ca 0.30 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 2rj3 s ALA 1061Cb -0.13 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2rj3 s ALA 1061CO 0.18 -0.26 0.10 0.08 0.00 0.00 0.00 175.76 175.87 2rj3 s VAL 1062N -1.08 -0.01 -0.12 0.00 1.01 0.31 -4.26 120.40 116.25 2rj3 s VAL 1062Ca 0.46 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 2rj3 s VAL 1062Cb -0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2rj3 s VAL 1062CO 0.43 0.02 0.08 -0.63 0.00 0.00 0.00 175.10 174.99 2rj3 s ILE 1063N 0.27 4.99 -0.14 2.22 -1.09 -0.59 -1.28 121.20 125.57 2rj3 s ILE 1063Ca -0.02 0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.43 2rj3 s ILE 1063Cb -0.03 -3.17 -0.00 0.00 -1.58 0.00 0.00 42.46 37.68 2rj3 s ILE 1063CO -0.01 0.58 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.42 2rj3 s VAL 1064N -0.70 2.50 -0.11 2.92 1.01 0.42 -0.43 120.40 126.01 2rj3 s VAL 1064Ca 0.12 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2rj3 s VAL 1064Cb -0.12 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.28 2rj3 s VAL 1064CO 0.03 0.53 0.24 0.00 0.00 0.00 0.00 175.10 175.90 2rj3 s SER 1066N 1.50 6.09 -0.07 0.00 1.04 -0.65 -3.66 113.70 117.95 2rj3 s SER 1066Ca -0.07 1.96 0.15 0.00 0.48 0.00 0.00 55.95 58.46 2rj3 s SER 1066Cb -0.11 -2.56 -0.22 0.00 0.10 0.00 0.00 66.02 63.24 2rj3 s SER 1066CO -0.08 -0.96 0.22 0.35 0.98 0.00 0.00 173.24 173.75 2rj3 n THR 1067N -1.26 0.41 -0.02 2.02 -2.24 -0.29 -4.51 114.28 108.38 2rj3 n THR 1067Ca 0.10 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2rj3 n THR 1067Cb 0.52 -0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2rj3 n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rj3 n GLY 1068N 1.81 -1.95 3.71 3.38 0.00 -0.66 -3.46 105.19 108.01 2rj3 n GLY 1068Ca -0.12 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 2rj3 n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 1069N -2.02 4.37 0.00 -0.61 1.01 -1.26 -4.67 121.20 118.01 2rj3 s ILE 1069Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.35 2rj3 s ILE 1069Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2rj3 s ILE 1069CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 2rj3 n GLY 1070N 3.12 2.69 0.21 6.18 0.00 -1.25 -4.68 105.19 111.46 2rj3 n GLY 1070Ca 0.08 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 2rj3 n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rj3 h GLY 1071N 0.00 0.71 0.37 -0.02 0.00 -1.89 -2.82 103.07 99.42 2rj3 h GLY 1071Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 47.33 47.03 2rj3 h GLY 1071CO 0.00 0.38 0.28 -2.55 0.00 0.00 0.00 176.54 174.66 2rj3 h PRO 1072N 0.56 0.47 -0.27 4.80 0.11 -1.95 0.25 132.00 135.97 2rj3 h PRO 1072Ca 0.14 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 2rj3 h PRO 1072Cb 0.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2rj3 h PRO 1072CO -0.01 0.31 -0.16 0.77 -0.21 0.00 0.00 178.00 178.70 2rj3 h SER 1073N 0.48 0.61 -0.69 -2.05 0.02 -1.79 -2.94 113.55 107.18 2rj3 h SER 1073Ca 0.34 -0.43 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2rj3 h SER 1073Cb 0.43 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 2rj3 h SER 1073CO -0.31 0.90 0.40 0.74 -1.14 0.00 0.00 176.83 177.41 2rj3 h THR 1074N 0.31 0.99 -0.28 -2.27 2.02 -1.20 -2.19 112.91 110.29 2rj3 h THR 1074Ca 0.06 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 2rj3 h THR 1074Cb 0.69 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2rj3 h THR 1074CO 0.05 0.13 -0.06 0.77 0.37 0.00 0.00 175.52 176.78 2rj3 h SER 1075N 0.73 0.41 0.07 4.18 4.64 -0.42 -1.02 113.55 122.15 2rj3 h SER 1075Ca 0.30 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2rj3 h SER 1075Cb 0.17 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2rj3 h SER 1075CO -0.17 0.52 -0.03 0.40 -0.87 0.00 0.00 176.83 176.68 2rj3 h ILE 1076N 0.42 1.21 0.05 0.95 2.04 -1.29 -2.38 117.51 118.51 2rj3 h ILE 1076Ca 0.09 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.89 2rj3 h ILE 1076Cb 0.36 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2rj3 h ILE 1076CO 0.02 0.26 -0.14 0.00 0.00 0.00 0.00 178.15 178.29 2rj3 h ALA 1077N 0.28 -0.21 -0.73 1.87 0.00 -1.19 -0.62 119.26 118.67 2rj3 h ALA 1077Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2rj3 h ALA 1077Cb 0.50 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2rj3 h ALA 1077CO 0.02 -0.65 0.24 0.28 0.00 0.00 0.00 179.25 179.13 2rj3 h VAL 1078N -0.26 1.26 -0.22 0.00 2.07 -1.30 0.11 116.25 117.90 2rj3 h VAL 1078Ca 0.03 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2rj3 h VAL 1078Cb 0.29 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2rj3 h VAL 1078CO -0.10 0.35 0.08 -0.08 0.02 0.00 0.00 177.57 177.84 2rj3 h GLU 1079N 1.08 0.34 -0.03 1.57 4.57 -1.22 -1.44 114.58 119.45 2rj3 h GLU 1079Ca 0.24 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 58.14 2rj3 h GLU 1079Cb 0.29 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2rj3 h GLU 1079CO -0.01 0.42 -0.87 0.93 -1.18 0.00 0.00 179.01 178.30 2rj3 h GLU 1080N 0.20 0.40 -0.85 1.92 5.08 -0.84 -1.15 114.58 119.33 2rj3 h GLU 1080Ca 0.07 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2rj3 h GLU 1080Cb 0.21 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2rj3 h GLU 1080CO -0.00 1.05 0.41 -0.07 -1.00 0.00 0.00 179.01 179.40 2rj3 h LEU 1081N 0.24 1.12 -0.87 1.33 3.38 -0.83 -1.85 115.31 117.83 2rj3 h LEU 1081Ca -0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2rj3 h LEU 1081Cb 1.48 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2rj3 h LEU 1081CO 0.15 0.94 0.48 0.00 0.09 0.00 0.00 178.44 180.10 2rj3 h ALA 1082N 1.22 1.12 -0.26 1.53 0.00 -0.96 -1.43 119.26 120.49 2rj3 h ALA 1082Ca 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2rj3 h ALA 1082Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2rj3 h ALA 1082CO -0.04 0.63 0.07 1.96 0.00 0.00 0.00 179.25 181.87 2rj3 h GLN 1083N 1.22 0.36 0.00 0.00 4.20 -0.89 -2.50 115.11 117.50 2rj3 h GLN 1083Ca 0.31 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2rj3 h GLN 1083Cb 0.03 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2rj3 h GLN 1083CO -0.05 0.34 0.00 -0.07 -0.67 0.00 0.00 178.83 178.38 2rj3 h LEU 1084N 0.36 0.00 0.00 1.46 3.38 -0.46 -3.47 115.31 116.58 2rj3 h LEU 1084Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2rj3 h LEU 1084Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2rj3 h LEU 1084CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2rj3 n GLY 1085N 1.11 1.19 3.76 0.83 0.00 -0.76 -4.75 105.19 106.57 2rj3 n GLY 1085Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2rj3 n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 1086N -1.01 2.29 -0.00 -0.61 -1.09 -0.69 -4.75 121.20 115.34 2rj3 s ILE 1086Ca 0.00 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 2rj3 s ILE 1086Cb 0.00 -3.17 -0.00 0.00 -1.58 0.00 0.00 42.46 37.71 2rj3 s ILE 1086CO 0.00 0.05 0.00 0.54 -1.23 0.00 0.00 174.94 174.30 2rj3 n ARG 1087N 1.68 1.08 -4.97 2.79 5.12 -0.63 -4.28 116.66 117.45 2rj3 n ARG 1087Ca 0.05 -0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.68 2rj3 n ARG 1087Cb 0.39 -1.01 -0.17 0.00 -1.16 0.00 0.00 32.46 30.52 2rj3 n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2rj3 s THR 1088N -2.01 1.70 -0.09 0.55 2.01 -0.71 -1.47 115.64 115.63 2rj3 s THR 1088Ca -0.00 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2rj3 s THR 1088Cb 0.00 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.02 2rj3 s THR 1088CO 0.01 0.48 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.87 2rj3 s PHE 1089N 0.47 2.12 -0.19 4.92 0.40 0.61 -0.42 117.98 125.90 2rj3 s PHE 1089Ca -0.17 -0.84 0.01 0.00 -0.60 0.00 0.00 56.93 55.33 2rj3 s PHE 1089Cb -0.17 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.93 2rj3 s PHE 1089CO 0.07 -0.36 -0.18 -0.51 0.70 0.00 0.00 175.22 174.94 2rj3 s LEU 1090N 0.45 2.31 -0.22 -0.37 1.43 0.43 -0.25 118.68 122.47 2rj3 s LEU 1090Ca -0.17 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.03 2rj3 s LEU 1090Cb -0.17 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2rj3 s LEU 1090CO 0.07 -0.02 0.56 -0.60 0.23 0.00 0.00 176.35 176.59 2rj3 s ARG 1091N 1.28 4.16 -0.19 1.70 3.00 0.90 0.13 118.95 129.93 2rj3 s ARG 1091Ca 0.04 0.46 -0.02 0.00 -1.00 0.00 0.00 55.73 55.21 2rj3 s ARG 1091Cb -0.14 -3.60 -0.00 0.00 0.00 0.00 0.00 34.95 31.21 2rj3 s ARG 1091CO -0.12 -0.25 -0.10 -1.50 0.00 0.00 0.00 175.30 173.34 2rj3 s ILE 1092N 1.95 2.99 0.24 4.11 -1.16 -1.25 -0.38 121.20 127.71 2rj3 s ILE 1092Ca 0.25 -0.63 0.05 0.00 -0.51 0.00 0.00 60.65 59.80 2rj3 s ILE 1092Cb -0.16 -2.32 -0.02 0.00 0.61 0.00 0.00 42.46 40.57 2rj3 s ILE 1092CO 0.09 0.47 0.17 0.61 -2.81 0.00 0.00 174.94 173.47 2rj3 n GLY 1093N 4.52 3.33 3.62 1.50 0.00 0.02 -3.98 105.19 114.20 2rj3 n GLY 1093Ca -0.19 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 2rj3 n GLY 1093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rj3 s THR 1094N -2.84 3.48 0.10 2.61 -4.23 -1.26 -1.08 115.64 112.42 2rj3 s THR 1094Ca 0.24 -1.54 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 2rj3 s THR 1094Cb 0.01 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 71.13 2rj3 s THR 1094CO 0.17 -0.12 0.28 0.28 -0.54 0.00 0.00 174.62 174.70 2rj3 s THR 1095N -1.73 0.11 -0.30 3.99 -1.32 -0.81 -4.83 115.64 110.75 2rj3 s THR 1095Ca 0.26 -0.91 -0.08 0.00 -1.21 0.00 0.00 61.69 59.76 2rj3 s THR 1095Cb -0.09 -1.26 0.00 0.00 -1.51 0.00 0.00 72.50 69.65 2rj3 s THR 1095CO 0.17 -0.50 0.11 -0.83 -2.21 0.00 0.00 174.62 171.36 2rj3 s GLY 1096N -2.83 1.81 0.40 6.08 0.00 -0.83 -1.72 107.32 110.24 2rj3 s GLY 1096Ca 0.04 -1.43 -0.24 0.00 0.00 0.00 0.00 44.72 43.08 2rj3 s GLY 1096CO -0.11 0.67 1.08 0.00 0.00 0.00 0.00 173.10 174.73 2rj3 s ALA 1097N 1.54 3.09 -0.12 3.20 0.00 0.28 -0.80 121.76 128.95 2rj3 s ALA 1097Ca 0.03 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.78 2rj3 s ALA 1097Cb -0.17 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 2rj3 s ALA 1097CO 0.04 -0.31 0.24 0.44 0.00 0.00 0.00 175.76 176.18 2rj3 n ILE 1098N -0.05 0.00 -3.63 0.00 -5.35 -0.37 -1.40 119.36 108.56 2rj3 n ILE 1098Ca 0.05 -0.48 -0.37 0.00 -0.27 0.00 0.00 62.75 61.68 2rj3 n ILE 1098Cb 0.49 1.01 -0.07 0.00 -1.74 0.00 0.00 39.64 39.34 2rj3 n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2rj3 s GLN 1099N -0.77 3.95 0.47 6.28 -1.52 -1.25 -4.75 119.66 122.06 2rj3 s GLN 1099Ca 0.01 0.10 0.17 0.00 -1.95 0.00 0.00 55.36 53.69 2rj3 s GLN 1099Cb 0.01 -3.31 1.14 0.00 -0.22 0.00 0.00 33.01 30.63 2rj3 s GLN 1099CO 0.05 0.50 2.01 -1.35 -0.25 0.00 0.00 175.29 176.25 2rj3 h PRO 1100N 5.71 0.26 0.00 2.91 0.11 -1.96 -2.61 132.00 136.41 2rj3 h PRO 1100Ca -0.48 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2rj3 h PRO 1100Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2rj3 h PRO 1100CO 0.67 0.17 -0.12 1.12 -0.21 0.00 0.00 178.00 179.63 2rj3 h HIS 1101N 0.27 0.00 -3.30 0.65 2.07 -2.02 -3.44 115.15 109.38 2rj3 h HIS 1101Ca 0.23 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 57.18 2rj3 h HIS 1101Cb 0.57 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.49 2rj3 h HIS 1101CO -0.00 0.12 0.40 0.42 -3.07 0.00 0.00 177.93 175.80 2rj3 s ILE 1102N -3.29 4.87 0.28 6.12 1.01 -0.99 -5.05 121.20 124.16 2rj3 s ILE 1102Ca 0.05 1.66 0.06 0.00 0.00 0.00 0.00 60.65 62.41 2rj3 s ILE 1102Cb 0.07 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2rj3 s ILE 1102CO 0.66 0.03 0.37 0.20 0.00 0.00 0.00 174.94 176.19 2rj3 s ASN 1103N 1.15 6.01 0.21 3.58 0.02 -1.26 -4.86 114.94 119.79 2rj3 s ASN 1103Ca 0.39 -0.11 -0.32 0.00 -1.02 0.00 0.00 52.86 51.80 2rj3 s ASN 1103Cb -0.17 -1.52 -0.13 0.00 0.02 0.00 0.00 41.25 39.46 2rj3 s ASN 1103CO 0.13 -0.21 1.63 0.52 0.02 0.00 0.00 177.10 179.19 2rj3 n VAL 1104N -1.45 0.27 0.00 1.60 0.31 -1.26 -2.11 118.33 115.69 2rj3 n VAL 1104Ca -0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2rj3 n VAL 1104Cb 0.58 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 2rj3 n VAL 1104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rj3 n GLY 1105N 3.32 2.81 3.73 2.92 0.00 -0.59 -5.03 105.19 112.35 2rj3 n GLY 1105Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2rj3 n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rj3 s ASP 1106N -1.29 3.98 -0.11 1.61 -0.00 -0.90 -4.76 116.67 115.20 2rj3 s ASP 1106Ca 0.00 2.06 -0.00 0.00 -0.00 0.00 0.00 52.55 54.61 2rj3 s ASP 1106Cb 0.00 -2.55 -0.02 0.00 -0.00 0.00 0.00 42.92 40.35 2rj3 s ASP 1106CO 0.00 -2.39 -0.10 -0.69 -0.00 0.00 0.00 175.17 171.99 2rj3 s VAL 1107N -2.60 3.38 -0.13 -1.27 1.01 -0.10 -1.93 120.40 118.77 2rj3 s VAL 1107Ca 0.66 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2rj3 s VAL 1107Cb -0.21 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2rj3 s VAL 1107CO 0.53 0.54 -0.17 -0.76 0.00 0.00 0.00 175.10 175.25 2rj3 s LEU 1108N -0.08 1.84 -0.17 3.92 1.43 -0.23 -1.79 118.68 123.60 2rj3 s LEU 1108Ca -0.01 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 2rj3 s LEU 1108Cb -0.14 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2rj3 s LEU 1108CO 0.03 0.02 0.01 -0.69 0.23 0.00 0.00 176.35 175.95 2rj3 s VAL 1109N 1.05 4.26 -0.26 -1.59 1.01 -0.69 -1.45 120.40 122.73 2rj3 s VAL 1109Ca -0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 2rj3 s VAL 1109Cb -0.15 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2rj3 s VAL 1109CO -0.04 0.47 0.27 -0.89 0.00 0.00 0.00 175.10 174.91 2rj3 s THR 1110N 0.44 5.26 0.02 3.92 2.01 -0.18 -2.12 115.64 124.98 2rj3 s THR 1110Ca -0.01 0.37 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 2rj3 s THR 1110Cb -0.13 -3.60 -0.34 0.00 0.01 0.00 0.00 72.50 68.44 2rj3 s THR 1110CO 0.02 0.24 1.00 0.71 -0.69 0.00 0.00 174.62 175.89 2rj3 h THR 1111N 5.27 1.33 -2.80 -0.82 1.35 -1.76 -3.40 112.91 112.08 2rj3 h THR 1111Ca -0.35 -2.61 -0.02 0.00 -0.55 0.00 0.00 66.41 62.89 2rj3 h THR 1111Cb 1.17 3.01 -0.13 0.00 -1.73 0.00 0.00 68.15 70.47 2rj3 h THR 1111CO 0.62 0.78 0.23 0.00 -0.25 0.00 0.00 175.52 176.89 2rj3 s ALA 1112N -2.64 -1.64 0.09 6.62 0.00 -1.26 -0.01 121.76 122.92 2rj3 s ALA 1112Ca -0.10 0.65 0.10 0.00 0.00 0.00 0.00 51.96 52.61 2rj3 s ALA 1112Cb 0.04 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2rj3 s ALA 1112CO 0.92 -0.70 -0.25 -1.12 0.00 0.00 0.00 175.76 174.61 2rj3 s SER 1113N -2.50 3.37 -0.06 0.00 0.01 -0.13 -1.73 113.70 112.66 2rj3 s SER 1113Ca -0.01 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.32 2rj3 s SER 1113Cb -0.01 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 2rj3 s SER 1113CO -0.09 0.22 1.27 -0.69 0.41 0.00 0.00 173.24 174.35 2rj3 s VAL 1114N -0.96 4.11 -1.09 3.43 1.01 0.24 -4.40 120.40 122.75 2rj3 s VAL 1114Ca 0.14 1.44 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 2rj3 s VAL 1114Cb -0.10 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.45 2rj3 s VAL 1114CO 0.05 -0.02 1.42 -0.13 0.00 0.00 0.00 175.10 176.42 2rj3 s ARG 1115N 2.46 3.77 -0.36 2.72 0.52 -1.26 -1.91 118.95 124.89 2rj3 s ARG 1115Ca 0.58 -1.77 0.08 0.00 -0.52 0.00 0.00 55.73 54.10 2rj3 s ARG 1115Cb -0.26 -5.22 0.71 0.00 0.52 0.00 0.00 34.95 30.70 2rj3 s ARG 1115CO 0.22 -2.01 1.83 1.28 0.02 0.00 0.00 175.30 176.64 2rj3 n LEU 1116N 7.51 6.24 -4.77 2.53 4.77 -0.58 -4.94 117.00 127.76 2rj3 n LEU 1116Ca 0.35 -3.37 -0.28 0.00 -0.03 0.00 0.00 56.01 52.67 2rj3 n LEU 1116Cb 0.48 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2rj3 n LEU 1116CO 0.63 0.91 -0.16 1.51 -1.33 0.00 0.00 177.39 178.95 2rj3 s ASP 1117N -1.19 4.31 -0.03 -1.43 3.84 -1.21 -2.03 116.67 118.94 2rj3 s ASP 1117Ca 0.55 -1.36 0.09 0.00 -0.00 0.00 0.00 52.55 51.83 2rj3 s ASP 1117Cb 0.45 0.10 -0.13 0.00 -1.38 0.00 0.00 42.92 41.97 2rj3 s ASP 1117CO 0.12 -0.78 0.16 0.61 -0.00 0.00 0.00 175.17 175.28 2rj3 n GLY 1118N -1.35 -0.40 0.18 2.12 0.00 -1.26 -4.69 105.19 99.79 2rj3 n GLY 1118Ca -0.08 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.79 2rj3 n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 h ALA 1119N 0.72 1.00 -0.61 4.61 0.00 -1.98 -2.98 119.26 120.02 2rj3 h ALA 1119Ca -0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2rj3 h ALA 1119Cb 0.62 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2rj3 h ALA 1119CO 0.00 0.51 0.11 0.66 0.00 0.00 0.00 179.25 180.53 2rj3 h SER 1120N 0.00 0.93 0.00 0.00 4.64 -1.85 -1.95 113.55 115.32 2rj3 h SER 1120Ca -0.00 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2rj3 h SER 1120Cb 0.92 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2rj3 h SER 1120CO 0.05 0.93 0.09 -0.07 -0.87 0.00 0.00 176.83 176.96 2rj3 h LEU 1121N 0.93 0.00 -0.37 5.97 3.38 -1.59 0.88 115.31 124.51 2rj3 h LEU 1121Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2rj3 h LEU 1121Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2rj3 h LEU 1121CO 0.01 0.00 -0.06 1.41 0.09 0.00 0.00 178.44 179.89 2rj3 n HIS 1122N -2.55 0.00 0.00 1.13 8.25 -0.73 -3.99 115.22 117.33 2rj3 n HIS 1122Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2rj3 n HIS 1122Cb 0.13 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2rj3 n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2rj3 n PHE 1123N -0.67 0.00 -3.57 4.41 3.01 0.15 -5.09 117.46 115.69 2rj3 n PHE 1123Ca 0.18 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.48 2rj3 n PHE 1123Cb 0.26 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.66 2rj3 n PHE 1123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rj3 s ALA 1124N -1.66 -1.74 1.06 4.37 0.00 -0.32 -4.99 121.76 118.49 2rj3 s ALA 1124Ca 0.00 1.56 -0.12 0.00 0.00 0.00 0.00 51.96 53.41 2rj3 s ALA 1124Cb 0.00 -0.46 0.23 0.00 0.00 0.00 0.00 23.12 22.89 2rj3 s ALA 1124CO 0.00 -0.35 1.08 -2.14 0.00 0.00 0.00 175.76 174.34 2rj3 s PRO 1125N -0.57 -0.14 0.50 0.00 0.02 -1.26 -3.65 135.00 129.88 2rj3 s PRO 1125Ca -0.07 1.16 0.14 0.00 0.02 0.00 0.00 61.00 62.25 2rj3 s PRO 1125Cb -0.02 -1.62 1.18 0.00 0.02 0.00 0.00 34.50 34.06 2rj3 s PRO 1125CO 0.06 -3.30 2.13 1.98 -0.33 0.00 0.00 177.00 177.54 2rj3 h MET 1126N -2.33 0.12 0.00 5.54 4.05 -1.94 -2.33 114.93 118.04 2rj3 h MET 1126Ca -0.54 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 2rj3 h MET 1126Cb 1.31 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2rj3 h MET 1126CO 0.46 0.08 0.00 1.05 0.23 0.00 0.00 176.91 178.73 2rj3 h GLU 1127N 0.13 0.00 -6.70 0.39 9.09 -2.03 -3.43 114.58 112.03 2rj3 h GLU 1127Ca 0.04 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.92 2rj3 h GLU 1127Cb -0.01 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.13 2rj3 h GLU 1127CO -0.01 0.00 0.63 0.12 0.05 0.00 0.00 179.01 179.80 2rj3 s PHE 1128N -3.78 3.27 0.14 2.06 2.19 -0.88 -5.00 117.98 115.98 2rj3 s PHE 1128Ca -0.00 1.28 -0.30 0.00 0.33 0.00 0.00 56.93 58.24 2rj3 s PHE 1128Cb 0.10 -3.57 -0.07 0.00 -1.31 0.00 0.00 43.02 38.17 2rj3 s PHE 1128CO 0.50 -1.74 1.05 -1.25 1.83 0.00 0.00 175.22 175.62 2rj3 s PRO 1129N -0.32 4.62 -1.34 10.12 0.04 -1.26 -4.95 135.00 141.90 2rj3 s PRO 1129Ca 0.55 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 63.05 2rj3 s PRO 1129Cb -0.36 -3.33 0.08 0.00 0.04 0.00 0.00 34.50 30.93 2rj3 s PRO 1129CO 0.39 0.10 1.89 0.00 0.04 0.00 0.00 177.00 179.43 2rj3 n ALA 1130N 2.71 4.48 -2.68 8.56 0.00 -1.26 -4.70 120.51 127.62 2rj3 n ALA 1130Ca 0.03 -3.95 -0.35 0.00 0.00 0.00 0.00 53.44 49.17 2rj3 n ALA 1130Cb 0.47 -3.46 -0.10 0.00 0.00 0.00 0.00 19.45 16.37 2rj3 n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rj3 s VAL 1131N 3.16 4.26 0.54 0.00 0.11 -1.26 -0.96 120.40 126.25 2rj3 s VAL 1131Ca 0.49 -0.28 -0.18 0.00 -2.93 0.00 0.00 61.98 59.07 2rj3 s VAL 1131Cb 0.07 -2.79 -0.06 0.00 -1.53 0.00 0.00 36.38 32.07 2rj3 s VAL 1131CO 0.00 0.59 1.06 0.00 -3.33 0.00 0.00 175.10 173.43 2rj3 s ALA 1132N -0.89 2.79 0.36 1.54 0.00 0.99 -4.68 121.76 121.87 2rj3 s ALA 1132Ca 0.14 0.57 -0.27 0.00 0.00 0.00 0.00 51.96 52.39 2rj3 s ALA 1132Cb -0.11 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 2rj3 s ALA 1132CO 0.03 -0.58 1.29 0.34 0.00 0.00 0.00 175.76 176.83 2rj3 s ASP 1133N -2.24 6.59 0.12 0.00 -1.08 -0.46 -4.95 116.67 114.64 2rj3 s ASP 1133Ca 0.67 2.64 -0.20 0.00 -0.52 0.00 0.00 52.55 55.14 2rj3 s ASP 1133Cb -0.17 -2.64 -0.08 0.00 -1.46 0.00 0.00 42.92 38.56 2rj3 s ASP 1133CO 0.27 -0.66 1.76 0.15 0.52 0.00 0.00 175.17 177.22 2rj3 h PHE 1134N 3.06 0.22 -0.29 -5.34 3.57 -1.96 -2.19 116.94 114.02 2rj3 h PHE 1134Ca -0.49 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 2rj3 h PHE 1134Cb 1.23 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 2rj3 h PHE 1134CO 0.55 0.15 0.16 0.00 -2.23 0.00 0.00 178.31 176.94 2rj3 h ALA 1135N 1.05 0.37 -0.55 2.41 0.00 -1.95 -0.07 119.26 120.51 2rj3 h ALA 1135Ca 0.06 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2rj3 h ALA 1135Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2rj3 h ALA 1135CO -0.01 -0.11 0.31 0.00 0.00 0.00 0.00 179.25 179.44 2rj3 h THR 1137N 0.60 1.26 0.06 0.00 2.02 -1.19 -1.64 112.91 114.02 2rj3 h THR 1137Ca 0.24 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 2rj3 h THR 1137Cb 0.10 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2rj3 h THR 1137CO -0.14 0.36 -0.03 0.74 0.37 0.00 0.00 175.52 176.82 2rj3 h THR 1138N 0.86 0.96 -0.84 3.16 2.02 -0.57 -1.78 112.91 116.73 2rj3 h THR 1138Ca 0.18 -0.07 0.12 0.00 0.77 0.00 0.00 66.41 67.41 2rj3 h THR 1138Cb 0.41 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.77 2rj3 h THR 1138CO 0.01 0.02 0.54 0.00 0.37 0.00 0.00 175.52 176.46 2rj3 h ALA 1139N 0.82 1.84 0.02 6.16 0.00 -0.60 -1.12 119.26 126.38 2rj3 h ALA 1139Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2rj3 h ALA 1139Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2rj3 h ALA 1139CO 0.01 -0.04 -0.96 -0.07 0.00 0.00 0.00 179.25 178.19 2rj3 h LEU 1140N 0.67 0.25 -0.30 0.00 3.38 -1.05 -1.48 115.31 116.78 2rj3 h LEU 1140Ca 0.41 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.98 2rj3 h LEU 1140Cb 0.62 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2rj3 h LEU 1140CO -0.17 1.07 -0.50 0.58 0.09 0.00 0.00 178.44 179.51 2rj3 h VAL 1141N 0.09 1.28 -0.14 1.22 2.07 -0.67 -2.02 116.25 118.07 2rj3 h VAL 1141Ca -0.05 -1.68 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 2rj3 h VAL 1141Cb 1.62 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2rj3 h VAL 1141CO 0.15 0.55 -0.29 -0.33 0.02 0.00 0.00 177.57 177.66 2rj3 h GLU 1142N 0.65 0.45 -0.51 1.57 5.08 -1.28 -2.75 114.58 117.79 2rj3 h GLU 1142Ca 0.02 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2rj3 h GLU 1142Cb 1.10 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 2rj3 h GLU 1142CO 0.11 0.90 0.31 0.00 -1.00 0.00 0.00 179.01 179.33 2rj3 h ALA 1143N 0.55 0.66 -0.70 3.43 0.00 -1.31 0.30 119.26 122.19 2rj3 h ALA 1143Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2rj3 h ALA 1143Cb 0.89 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2rj3 h ALA 1143CO 0.06 0.01 0.36 0.00 0.00 0.00 0.00 179.25 179.68 2rj3 h ALA 1144N 1.23 0.97 -0.18 0.00 0.00 -1.38 0.26 119.26 120.15 2rj3 h ALA 1144Ca 0.21 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2rj3 h ALA 1144Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2rj3 h ALA 1144CO -0.09 -0.03 -0.42 -0.22 0.00 0.00 0.00 179.25 178.48 2rj3 h LYS 1145N 0.62 0.43 -0.02 0.00 3.64 -1.09 -0.80 116.57 119.36 2rj3 h LYS 1145Ca 0.34 -0.22 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2rj3 h LYS 1145Cb 0.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2rj3 h LYS 1145CO -0.25 0.78 -0.63 1.03 -2.27 0.00 0.00 179.45 178.11 2rj3 h SER 1146N 0.35 0.07 0.19 4.20 0.87 0.58 -3.28 113.55 116.54 2rj3 h SER 1146Ca 0.03 -0.04 -0.32 0.00 -1.23 0.00 0.00 61.79 60.23 2rj3 h SER 1146Cb 0.89 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2rj3 h SER 1146CO 0.08 0.68 -1.52 0.40 -0.53 0.00 0.00 176.83 175.94 2rj3 h ILE 1147N 0.05 1.11 0.00 2.23 1.08 -0.43 -3.50 117.51 118.04 2rj3 h ILE 1147Ca -0.01 -2.54 0.00 0.00 -0.39 0.00 0.00 64.86 61.92 2rj3 h ILE 1147Cb 1.12 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.75 2rj3 h ILE 1147CO 0.09 0.80 0.00 0.61 -0.69 0.00 0.00 178.15 178.96 2rj3 n GLY 1148N 1.78 0.07 3.33 5.37 0.00 -0.31 -5.10 105.19 110.33 2rj3 n GLY 1148Ca -0.22 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 2rj3 n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 s ALA 1149N 0.00 -1.02 -0.41 4.61 0.00 -1.17 -5.03 121.76 118.74 2rj3 s ALA 1149Ca 0.00 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.96 2rj3 s ALA 1149Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.53 2rj3 s ALA 1149CO 0.00 -0.48 1.09 0.99 0.00 0.00 0.00 175.76 177.36 2rj3 s THR 1150N -2.60 4.36 -0.10 0.00 2.01 -1.26 -4.87 115.64 113.17 2rj3 s THR 1150Ca -0.04 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.35 2rj3 s THR 1150Cb -0.01 -4.51 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 2rj3 s THR 1150CO -0.03 -0.78 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.01 2rj3 s THR 1151N 4.06 2.27 -0.05 -0.82 2.01 -1.26 -0.92 115.64 120.93 2rj3 s THR 1151Ca 0.46 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.57 2rj3 s THR 1151Cb -0.09 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 2rj3 s THR 1151CO 0.25 0.56 -0.25 -1.00 -0.69 0.00 0.00 174.62 173.48 2rj3 s HIS 1152N 0.24 2.42 -0.08 4.92 3.76 -0.74 -5.00 115.29 120.80 2rj3 s HIS 1152Ca -0.14 -0.64 0.05 0.00 -0.15 0.00 0.00 55.06 54.18 2rj3 s HIS 1152Cb -0.17 -1.58 -0.00 0.00 1.11 0.00 0.00 32.58 31.94 2rj3 s HIS 1152CO 0.07 -0.16 -0.24 0.08 -0.85 0.00 0.00 174.74 173.64 2rj3 s VAL 1153N -0.29 2.08 -3.99 -0.90 1.01 -1.26 -1.71 120.40 115.35 2rj3 s VAL 1153Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2rj3 s VAL 1153Cb -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2rj3 s VAL 1153CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2rj3 n GLY 1154N 3.29 -0.52 3.77 4.51 0.00 -0.90 -4.99 105.19 110.35 2rj3 n GLY 1154Ca -0.18 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 2rj3 n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rj3 s VAL 1155N -3.32 4.26 0.04 1.61 1.01 -1.26 -2.13 120.40 120.61 2rj3 s VAL 1155Ca 0.00 1.82 0.09 0.00 0.00 0.00 0.00 61.98 63.89 2rj3 s VAL 1155Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2rj3 s VAL 1155CO 0.00 0.44 -0.26 -0.89 0.00 0.00 0.00 175.10 174.39 2rj3 s THR 1156N -1.25 2.16 -0.38 3.92 2.01 -0.71 -1.76 115.64 119.62 2rj3 s THR 1156Ca 0.40 -1.36 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 2rj3 s THR 1156Cb -0.23 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.46 2rj3 s THR 1156CO 0.28 0.38 0.67 0.00 -0.69 0.00 0.00 174.62 175.26 2rj3 s ALA 1157N -0.79 3.41 -0.47 7.40 0.00 0.50 0.82 121.76 132.63 2rj3 s ALA 1157Ca 0.12 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 2rj3 s ALA 1157Cb -0.10 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 19.86 2rj3 s ALA 1157CO 0.02 -1.51 0.36 0.45 0.00 0.00 0.00 175.76 175.08 2rj3 s SER 1158N 1.88 5.88 -0.08 0.00 0.15 -0.80 -1.63 113.70 119.09 2rj3 s SER 1158Ca 0.25 -1.61 -0.03 0.00 0.70 0.00 0.00 55.95 55.27 2rj3 s SER 1158Cb -0.14 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2rj3 s SER 1158CO 0.17 -0.66 0.05 -0.55 1.20 0.00 0.00 173.24 173.45 2rj3 s SER 1159N 2.63 5.63 0.00 5.45 0.15 0.14 -1.52 113.70 126.19 2rj3 s SER 1159Ca 0.04 0.24 0.22 0.00 0.70 0.00 0.00 55.95 57.15 2rj3 s SER 1159Cb -0.25 -1.67 1.10 0.00 -1.71 0.00 0.00 66.02 63.49 2rj3 s SER 1159CO 0.03 0.37 1.71 0.47 1.20 0.00 0.00 173.24 177.02 2rj3 n ASP 1160N 1.93 0.00 -4.20 5.45 10.43 -0.86 -4.32 116.55 124.98 2rj3 n ASP 1160Ca -0.18 0.03 -0.18 0.00 2.57 0.00 0.00 54.79 57.03 2rj3 n ASP 1160Cb 0.54 -0.31 -0.11 0.00 1.84 0.00 0.00 41.12 43.08 2rj3 n ASP 1160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2rj3 s THR 1161N -2.61 1.19 -0.13 -3.53 -4.23 -1.26 -5.02 115.64 100.04 2rj3 s THR 1161Ca 0.20 -1.51 0.15 0.00 -1.18 0.00 0.00 61.69 59.34 2rj3 s THR 1161Cb 0.15 -1.30 0.05 0.00 1.34 0.00 0.00 72.50 72.74 2rj3 s THR 1161CO 0.34 -0.34 1.44 0.15 -0.54 0.00 0.00 174.62 175.68 2rj3 h PHE 1162N 3.90 0.00 0.00 3.99 3.04 -1.97 -3.38 116.94 122.51 2rj3 h PHE 1162Ca -0.40 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.55 2rj3 h PHE 1162Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2rj3 h PHE 1162CO 0.64 0.53 0.00 0.66 -2.02 0.00 0.00 178.31 178.11 2rj3 n TYR 1163N -3.24 0.00 -0.20 0.41 4.02 -1.26 -4.51 117.16 112.37 2rj3 n TYR 1163Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.84 2rj3 n TYR 1163Cb 0.74 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.13 2rj3 n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2rj3 h PRO 1164N 0.00 1.02 0.00 -0.72 0.13 -1.87 0.11 132.00 130.68 2rj3 h PRO 1164Ca 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2rj3 h PRO 1164Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 2rj3 h PRO 1164CO 0.00 0.96 0.00 0.41 -0.23 0.00 0.00 178.00 179.14 2rj3 n GLY 1165N -0.59 -1.08 0.77 1.56 0.00 -1.26 -1.07 105.19 103.52 2rj3 n GLY 1165Ca 0.04 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.17 2rj3 n GLY 1165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rj3 n GLN 1166N -2.02 2.09 -4.38 1.61 6.02 -0.75 -4.90 117.38 115.05 2rj3 n GLN 1166Ca 0.02 -2.94 -0.34 0.00 -0.01 0.00 0.00 57.00 53.73 2rj3 n GLN 1166Cb 0.16 -1.74 -0.09 0.00 1.02 0.00 0.00 30.24 29.59 2rj3 n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2rj3 n GLU 1167N -0.97 -0.88 -3.02 -1.09 2.13 -0.23 -4.95 120.64 111.62 2rj3 n GLU 1167Ca 0.24 0.10 -0.40 0.00 0.66 0.00 0.00 57.16 57.76 2rj3 n GLU 1167Cb 0.86 -3.87 -0.05 0.00 0.27 0.00 0.00 31.44 28.65 2rj3 n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2rj3 s ARG 1168N -7.35 4.48 -0.04 5.31 0.52 0.31 -4.99 118.95 117.19 2rj3 s ARG 1168Ca 0.21 1.04 0.09 0.00 -0.52 0.00 0.00 55.73 56.55 2rj3 s ARG 1168Cb -0.12 -3.33 -0.13 0.00 0.52 0.00 0.00 34.95 31.88 2rj3 s ARG 1168CO 1.01 0.39 0.15 0.66 0.02 0.00 0.00 175.30 177.52 2rj3 n TYR 1169N 2.40 0.00 -2.11 -0.53 4.02 -1.26 -4.39 117.16 115.30 2rj3 n TYR 1169Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.43 2rj3 n TYR 1169Cb 0.50 -0.30 -0.01 0.00 -0.02 0.00 0.00 39.34 39.51 2rj3 n TYR 1169CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2rj3 n ASP 1170N -2.01 4.23 -4.17 7.72 2.03 -1.26 -4.09 116.55 119.00 2rj3 n ASP 1170Ca -0.06 -2.86 -0.28 0.00 0.52 0.00 0.00 54.79 52.11 2rj3 n ASP 1170Cb 0.44 -1.67 -0.07 0.00 -0.72 0.00 0.00 41.12 39.10 2rj3 n ASP 1170CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2rj3 n THR 1171N 5.91 0.00 -0.14 5.18 -2.24 -1.26 -5.01 114.28 116.72 2rj3 n THR 1171Ca 0.50 -2.42 -0.07 0.00 -2.27 0.00 0.00 64.05 59.79 2rj3 n THR 1171Cb 0.43 0.74 0.01 0.00 -2.10 0.00 0.00 70.33 69.41 2rj3 n THR 1171CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2rj3 h TYR 1172N 1.55 0.50 0.03 4.78 5.03 -1.99 -3.24 116.97 123.64 2rj3 h TYR 1172Ca -0.36 0.01 -0.26 0.00 2.58 0.00 0.00 58.73 60.70 2rj3 h TYR 1172Cb 1.25 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 39.34 2rj3 h TYR 1172CO 0.00 0.30 -1.39 0.66 -1.32 0.00 0.00 178.16 176.42 2rj3 h SER 1173N 0.54 0.12 0.00 -2.11 4.64 -1.97 -3.48 113.55 111.30 2rj3 h SER 1173Ca 0.17 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rj3 h SER 1173Cb -0.02 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2rj3 h SER 1173CO -0.06 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.64 2rj3 n GLY 1174N 1.51 0.49 3.54 -0.77 0.00 -1.22 -5.00 105.19 103.75 2rj3 n GLY 1174Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 2rj3 n GLY 1174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rj3 s ARG 1175N -0.54 1.97 -0.08 1.61 1.70 -1.26 -4.92 118.95 117.42 2rj3 s ARG 1175Ca 0.00 -1.23 0.03 0.00 -0.47 0.00 0.00 55.73 54.07 2rj3 s ARG 1175Cb 0.00 -2.15 0.01 0.00 -0.57 0.00 0.00 34.95 32.24 2rj3 s ARG 1175CO 0.00 0.45 -0.18 0.08 -1.08 0.00 0.00 175.30 174.57 2rj3 s VAL 1176N -1.49 1.59 0.40 4.99 1.01 -1.26 -4.95 120.40 120.69 2rj3 s VAL 1176Ca 0.22 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 2rj3 s VAL 1176Cb -0.09 -1.40 -0.11 0.00 0.00 0.00 0.00 36.38 34.78 2rj3 s VAL 1176CO 0.13 0.46 1.15 0.55 0.00 0.00 0.00 175.10 177.39 2rj3 n VAL 1177N 3.66 2.42 -0.27 2.92 3.14 -1.26 -4.57 118.33 124.38 2rj3 n VAL 1177Ca -0.21 -0.50 0.04 0.00 -2.96 0.00 0.00 64.34 60.71 2rj3 n VAL 1177Cb 0.52 -1.36 0.10 0.00 -1.06 0.00 0.00 33.84 32.05 2rj3 n VAL 1177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2rj3 n ARG 1178N 0.18 -0.07 -0.31 1.45 0.63 -1.26 -0.13 116.66 117.15 2rj3 n ARG 1178Ca 0.08 1.15 0.22 0.00 -0.92 0.00 0.00 57.85 58.38 2rj3 n ARG 1178Cb 0.38 -1.71 0.51 0.00 0.45 0.00 0.00 32.46 32.09 2rj3 n ARG 1178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2rj3 h ARG 1179N 0.00 0.38 -0.22 -0.14 1.12 -2.02 -2.15 114.38 111.36 2rj3 h ARG 1179Ca 0.35 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.20 2rj3 h ARG 1179Cb 0.53 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 2rj3 h ARG 1179CO -0.76 0.25 0.00 1.19 -3.11 0.00 0.00 179.97 177.55 2rj3 n PHE 1180N -4.60 0.29 -2.13 2.20 3.01 0.82 -4.82 117.46 112.22 2rj3 n PHE 1180Ca 0.25 -0.28 -0.42 0.00 1.01 0.00 0.00 57.45 58.00 2rj3 n PHE 1180Cb 0.86 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.29 2rj3 n PHE 1180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2rj3 s LYS 1181N -1.01 4.23 -1.56 -1.08 1.02 -0.81 -2.74 119.74 117.80 2rj3 s LYS 1181Ca 0.21 2.06 0.00 0.00 0.02 0.00 0.00 55.97 58.25 2rj3 s LYS 1181Cb 0.12 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 2rj3 s LYS 1181CO 0.16 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 2rj3 n GLY 1182N 3.83 1.51 0.22 -3.33 0.00 -1.26 -4.91 105.19 101.25 2rj3 n GLY 1182Ca 0.15 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2rj3 n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rj3 h SER 1183N 0.00 0.92 -0.56 1.61 4.64 -1.83 -2.96 113.55 115.36 2rj3 h SER 1183Ca -0.30 -0.65 0.01 0.00 -0.47 0.00 0.00 61.79 60.38 2rj3 h SER 1183Cb 0.96 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 2rj3 h SER 1183CO 0.44 1.42 0.37 -0.03 -0.87 0.00 0.00 176.83 178.16 2rj3 h MET 1184N 0.48 0.73 -0.63 4.77 -1.53 -1.91 0.29 114.93 117.14 2rj3 h MET 1184Ca -0.06 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.18 2rj3 h MET 1184Cb 1.43 -0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 32.28 2rj3 h MET 1184CO 0.16 0.49 0.41 1.49 0.14 0.00 0.00 176.91 179.60 2rj3 h GLU 1185N 0.76 0.74 -0.11 0.39 4.81 -1.98 -0.31 114.58 118.88 2rj3 h GLU 1185Ca 0.21 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2rj3 h GLU 1185Cb -0.08 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.13 2rj3 h GLU 1185CO -0.05 0.49 -0.29 1.49 -0.73 0.00 0.00 179.01 179.92 2rj3 h GLU 1186N 0.77 0.40 -0.83 1.92 4.81 -1.14 -2.21 114.58 118.30 2rj3 h GLU 1186Ca 0.25 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2rj3 h GLU 1186Cb 0.03 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2rj3 h GLU 1186CO -0.06 0.89 0.42 -1.49 -0.73 0.00 0.00 179.01 178.04 2rj3 h TRP 1187N -0.03 1.17 -0.52 0.92 -0.00 -0.76 -1.56 115.95 115.16 2rj3 h TRP 1187Ca -0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 58.89 58.87 2rj3 h TRP 1187Cb 0.90 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.16 29.66 2rj3 h TRP 1187CO 0.11 0.83 0.30 1.96 -0.00 0.00 0.00 178.44 181.64 2rj3 h GLN 1188N 1.17 0.58 0.00 0.49 4.20 -1.05 -1.61 115.11 118.89 2rj3 h GLN 1188Ca 0.29 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 2rj3 h GLN 1188Cb 0.08 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2rj3 h GLN 1188CO -0.04 0.38 -0.25 0.00 -0.67 0.00 0.00 178.83 178.25 2rj3 h ALA 1189N 1.24 1.52 -0.21 3.87 0.00 -1.09 -2.52 119.26 122.08 2rj3 h ALA 1189Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rj3 h ALA 1189Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rj3 h ALA 1189CO -0.11 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.12 2rj3 n MET 1190N -4.15 1.54 -0.60 0.00 2.81 -0.62 -4.91 117.12 111.19 2rj3 n MET 1190Ca -0.02 -0.83 0.00 0.00 -1.81 0.00 0.00 57.70 55.04 2rj3 n MET 1190Cb 0.31 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 2rj3 n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2rj3 n GLY 1191N 0.92 1.67 3.65 3.03 0.00 -0.94 -5.00 105.19 108.51 2rj3 n GLY 1191Ca 0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 2rj3 n GLY 1191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2rj3 n VAL 1192N -2.00 0.99 -0.02 1.61 0.31 -0.73 -4.74 118.33 113.75 2rj3 n VAL 1192Ca 0.00 -0.25 0.09 0.00 -0.01 0.00 0.00 64.34 64.17 2rj3 n VAL 1192Cb 0.00 -1.32 -0.16 0.00 -0.91 0.00 0.00 33.84 31.45 2rj3 n VAL 1192CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2rj3 n MET 1193N 1.90 0.66 -3.53 5.55 0.00 -0.72 -4.53 117.12 116.45 2rj3 n MET 1193Ca 0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 57.70 57.56 2rj3 n MET 1193Cb 0.30 -1.53 -0.02 0.00 0.00 0.00 0.00 33.22 31.97 2rj3 n MET 1193CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2rj3 s ASN 1194N -4.63 -0.41 -0.16 3.17 4.22 -1.26 -1.24 114.94 114.63 2rj3 s ASN 1194Ca -0.08 -0.09 -0.04 0.00 -2.14 0.00 0.00 52.86 50.51 2rj3 s ASN 1194Cb 0.13 0.50 -0.03 0.00 1.28 0.00 0.00 41.25 43.13 2rj3 s ASN 1194CO 0.90 -0.83 -0.02 -0.31 -2.04 0.00 0.00 177.10 174.79 2rj3 s TYR 1195N -3.42 3.05 0.03 1.54 2.02 0.02 -0.37 117.35 120.22 2rj3 s TYR 1195Ca 0.05 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 2rj3 s TYR 1195Cb -0.01 -1.98 -0.00 0.00 -0.40 0.00 0.00 41.96 39.57 2rj3 s TYR 1195CO -0.08 -0.02 0.03 -0.85 -1.57 0.00 0.00 175.55 173.06 2rj3 n GLU 1196N 3.55 0.05 0.00 -0.62 -0.00 -0.65 -1.97 120.64 121.00 2rj3 n GLU 1196Ca -0.17 -0.33 0.00 0.00 -0.00 0.00 0.00 57.16 56.66 2rj3 n GLU 1196Cb 0.52 0.28 0.00 0.00 -0.00 0.00 0.00 31.44 32.24 2rj3 n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2rj3 n MET 1197N -0.06 1.20 0.00 3.44 2.81 -1.26 -0.68 117.12 122.56 2rj3 n MET 1197Ca 0.01 -0.90 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 2rj3 n MET 1197Cb 0.06 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 2rj3 n MET 1197CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2rj3 n GLU 1198N -0.23 0.00 -0.17 0.03 0.00 -1.26 -3.67 120.64 115.35 2rj3 n GLU 1198Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 2rj3 n GLU 1198Cb 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 31.44 31.34 2rj3 n GLU 1198CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2rj3 h SER 1199N 0.00 0.97 -0.44 -1.84 4.64 -1.93 -2.40 113.55 112.55 2rj3 h SER 1199Ca 0.00 -0.37 0.01 0.00 -0.47 0.00 0.00 61.79 60.96 2rj3 h SER 1199Cb 0.49 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 2rj3 h SER 1199CO 0.00 1.12 0.27 0.00 -0.87 0.00 0.00 176.83 177.35 2rj3 h ALA 1200N 0.89 0.55 0.57 5.18 0.00 -1.88 0.27 119.26 124.84 2rj3 h ALA 1200Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2rj3 h ALA 1200Cb 0.70 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2rj3 h ALA 1200CO 0.05 -0.03 -0.27 1.15 0.00 0.00 0.00 179.25 180.15 2rj3 h THR 1201N 0.56 0.43 -0.20 0.00 2.02 -1.93 -2.39 112.91 111.40 2rj3 h THR 1201Ca 0.17 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.29 2rj3 h THR 1201Cb -0.03 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2rj3 h THR 1201CO -0.06 0.01 -0.01 0.25 0.37 0.00 0.00 175.52 176.09 2rj3 h LEU 1202N -0.82 -0.09 -0.72 2.58 5.85 -1.21 -1.49 115.31 119.41 2rj3 h LEU 1202Ca -0.08 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 2rj3 h LEU 1202Cb 0.61 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2rj3 h LEU 1202CO 0.13 -0.02 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.13 2rj3 h LEU 1203N 0.06 0.95 0.05 2.25 4.07 -0.51 -2.27 115.31 119.91 2rj3 h LEU 1203Ca 0.09 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 2rj3 h LEU 1203Cb 0.12 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.61 2rj3 h LEU 1203CO -0.17 1.01 -0.02 0.74 -1.08 0.00 0.00 178.44 178.92 2rj3 h THR 1204N 0.90 1.24 0.00 0.22 2.02 -1.29 -1.85 112.91 114.16 2rj3 h THR 1204Ca 0.16 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 2rj3 h THR 1204Cb 0.53 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2rj3 h THR 1204CO 0.03 0.25 -0.27 0.00 0.37 0.00 0.00 175.52 175.90 2rj3 h MET 1205N -0.52 0.00 0.00 6.66 -0.00 -1.26 -0.08 114.93 119.74 2rj3 h MET 1205Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2rj3 h MET 1205Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 2rj3 h MET 1205CO 0.01 0.27 -0.00 0.00 -0.00 0.00 0.00 176.91 177.19 2rj3 h ALA 1207N 0.02 1.59 -0.25 0.00 0.00 -1.16 -0.72 119.26 118.74 2rj3 h ALA 1207Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rj3 h ALA 1207Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2rj3 h ALA 1207CO 0.00 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 2rj3 n SER 1208N -4.05 2.41 -0.18 0.00 3.41 -0.06 -4.26 113.62 110.88 2rj3 n SER 1208Ca -0.02 -1.84 0.01 0.00 -0.26 0.00 0.00 58.87 56.76 2rj3 n SER 1208Cb 0.18 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 63.98 2rj3 n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rj3 n GLN 1209N 0.81 0.41 -1.01 4.33 6.02 -0.76 -5.01 117.38 122.17 2rj3 n GLN 1209Ca 0.17 -0.94 -0.00 0.00 -0.01 0.00 0.00 57.00 56.22 2rj3 n GLN 1209Cb 0.44 -0.63 -0.00 0.00 1.02 0.00 0.00 30.24 31.07 2rj3 n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rj3 n GLY 1210N -0.16 0.42 3.88 1.08 0.00 -0.97 -5.02 105.19 104.41 2rj3 n GLY 1210Ca 0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2rj3 n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 1211N -0.06 4.24 -0.10 0.99 2.01 -0.35 -5.04 118.68 120.38 2rj3 s LEU 1211Ca 0.00 0.79 -0.12 0.00 0.01 0.00 0.00 54.13 54.80 2rj3 s LEU 1211Cb 0.00 -3.41 -0.05 0.00 0.01 0.00 0.00 46.19 42.74 2rj3 s LEU 1211CO 0.00 0.02 0.29 -0.13 1.01 0.00 0.00 176.35 177.54 2rj3 s ARG 1212N -2.57 3.93 0.01 1.70 0.52 -0.54 -3.77 118.95 118.23 2rj3 s ARG 1212Ca 0.42 0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.78 2rj3 s ARG 1212Cb -0.12 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 2rj3 s ARG 1212CO 0.22 0.53 -0.03 0.00 0.02 0.00 0.00 175.30 176.04 2rj3 s ALA 1213N -0.44 0.22 0.10 2.13 0.00 -1.26 -0.28 121.76 122.23 2rj3 s ALA 1213Ca 0.19 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.93 2rj3 s ALA 1213Cb -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2rj3 s ALA 1213CO 0.07 -0.00 -0.13 0.20 0.00 0.00 0.00 175.76 175.90 2rj3 s GLY 1214N -0.49 0.98 -0.10 0.00 0.00 0.65 -1.36 107.32 106.99 2rj3 s GLY 1214Ca -0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.47 2rj3 s GLY 1214CO -0.00 -1.24 0.05 -0.29 0.00 0.00 0.00 173.10 171.62 2rj3 s MET 1215N -2.42 0.23 0.02 2.90 1.75 -1.26 -0.07 119.30 120.45 2rj3 s MET 1215Ca 0.05 0.08 0.03 0.00 -1.25 0.00 0.00 55.69 54.59 2rj3 s MET 1215Cb -0.06 -1.20 -0.02 0.00 2.84 0.00 0.00 34.83 36.39 2rj3 s MET 1215CO 0.02 -0.46 -0.08 0.54 -0.65 0.00 0.00 175.02 174.39 2rj3 s VAL 1216N 2.07 0.62 0.01 10.11 0.11 0.48 -1.02 120.40 132.79 2rj3 s VAL 1216Ca 0.03 -0.71 -0.13 0.00 -2.93 0.00 0.00 61.98 58.24 2rj3 s VAL 1216Cb -0.14 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 2rj3 s VAL 1216CO -0.06 -0.09 0.27 0.00 -3.33 0.00 0.00 175.10 171.90 2rj3 s ALA 1217N -0.74 -0.65 -0.17 1.54 0.00 -0.53 -0.80 121.76 120.41 2rj3 s ALA 1217Ca -0.02 0.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 2rj3 s ALA 1217Cb -0.06 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2rj3 s ALA 1217CO 0.00 -0.30 0.10 0.20 0.00 0.00 0.00 175.76 175.76 2rj3 s GLY 1218N -1.60 2.01 -0.35 0.00 0.00 -0.24 -1.07 107.32 106.07 2rj3 s GLY 1218Ca -0.11 -0.70 -0.29 0.00 0.00 0.00 0.00 44.72 43.62 2rj3 s GLY 1218CO 0.01 -0.02 1.38 0.14 0.00 0.00 0.00 173.10 174.61 2rj3 s VAL 1219N 0.04 3.99 -0.16 1.40 1.01 -0.81 -1.92 120.40 123.94 2rj3 s VAL 1219Ca 0.08 1.07 0.21 0.00 0.00 0.00 0.00 61.98 63.33 2rj3 s VAL 1219Cb -0.12 -4.14 -0.31 0.00 0.00 0.00 0.00 36.38 31.82 2rj3 s VAL 1219CO 0.00 -0.59 0.52 2.30 0.00 0.00 0.00 175.10 177.32 2rj3 n ILE 1220N 6.64 0.00 -3.78 2.22 -5.35 -0.70 -1.55 119.36 116.84 2rj3 n ILE 1220Ca 0.16 -0.41 -0.13 0.00 -0.27 0.00 0.00 62.75 62.10 2rj3 n ILE 1220Cb 0.47 0.16 -0.09 0.00 -1.74 0.00 0.00 39.64 38.44 2rj3 n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2rj3 s VAL 1221N -3.37 0.06 -0.15 7.28 0.11 -1.23 -4.64 120.40 118.45 2rj3 s VAL 1221Ca -0.05 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 2rj3 s VAL 1221Cb 0.14 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 2rj3 s VAL 1221CO 0.86 -0.25 -0.17 0.21 -3.33 0.00 0.00 175.10 172.42 2rj3 s ASN 1222N -1.16 3.54 0.00 3.54 3.84 -1.26 -0.56 114.94 122.87 2rj3 s ASN 1222Ca -0.12 -0.50 0.24 0.00 0.21 0.00 0.00 52.86 52.69 2rj3 s ASN 1222Cb -0.05 -1.54 1.15 0.00 -0.55 0.00 0.00 41.25 40.26 2rj3 s ASN 1222CO 0.03 0.08 1.79 0.54 -2.79 0.00 0.00 177.10 176.76 2rj3 n ARG 1223N 4.09 0.21 0.00 0.43 5.12 -0.49 -2.62 116.66 123.39 2rj3 n ARG 1223Ca -0.19 0.07 0.11 0.00 -1.93 0.00 0.00 57.85 55.91 2rj3 n ARG 1223Cb 0.52 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 30.40 2rj3 n ARG 1223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2rj3 n THR 1224N -1.37 0.00 -4.33 0.55 -2.24 -1.26 -4.97 114.28 100.66 2rj3 n THR 1224Ca 0.09 -0.47 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 2rj3 n THR 1224Cb 0.23 1.45 -0.11 0.00 -2.10 0.00 0.00 70.33 69.80 2rj3 n THR 1224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2rj3 s GLN 1225N -2.00 1.82 0.09 -0.78 -0.21 -1.08 -5.05 119.66 112.45 2rj3 s GLN 1225Ca 0.26 -1.31 0.13 0.00 0.02 0.00 0.00 55.36 54.46 2rj3 s GLN 1225Cb 0.19 -2.06 -0.15 0.00 1.00 0.00 0.00 33.01 31.99 2rj3 s GLN 1225CO 0.33 0.44 1.01 -0.56 -2.12 0.00 0.00 175.29 174.39 2rj3 h GLN 1226N 3.28 0.00 -6.42 2.91 -0.00 -1.93 -3.46 115.11 109.48 2rj3 h GLN 1226Ca -0.48 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 57.64 2rj3 h GLN 1226Cb 1.19 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.69 2rj3 h GLN 1226CO 0.49 0.58 1.00 -1.83 -0.00 0.00 0.00 178.83 179.07 2rj3 s GLU 1227N -2.78 4.20 -0.20 0.06 -1.05 -1.26 -5.01 118.70 112.66 2rj3 s GLU 1227Ca -0.01 2.29 0.00 0.00 -0.15 0.00 0.00 54.97 57.11 2rj3 s GLU 1227Cb 0.09 -3.65 0.02 0.00 -0.44 0.00 0.00 34.13 30.15 2rj3 s GLU 1227CO 0.81 -0.74 -0.15 0.42 0.95 0.00 0.00 175.26 176.54 2rj3 s ILE 1228N 2.81 2.31 0.33 1.83 -1.09 -1.26 -4.79 121.20 121.34 2rj3 s ILE 1228Ca 0.73 -1.00 -0.29 0.00 -2.23 0.00 0.00 60.65 57.86 2rj3 s ILE 1228Cb -0.38 -2.06 -0.11 0.00 -1.58 0.00 0.00 42.46 38.33 2rj3 s ILE 1228CO 0.32 0.41 1.44 -2.84 -1.23 0.00 0.00 174.94 173.04 2rj3 s PRO 1229N 1.29 4.21 6.49 2.79 0.02 -1.26 -5.07 135.00 143.46 2rj3 s PRO 1229Ca 0.03 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2rj3 s PRO 1229Cb -0.15 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2rj3 s PRO 1229CO -0.10 -0.43 0.00 -1.71 -0.33 0.00 0.00 177.00 174.43 2rj3 n ASN 1230N 1.11 0.00 0.00 2.53 2.85 -1.26 -4.74 115.26 115.75 2rj3 n ASN 1230Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2rj3 n ASN 1230Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 2rj3 n ASN 1230CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2rj3 n ALA 1231N 9.80 1.74 0.27 5.20 0.00 -1.26 -4.89 120.51 131.37 2rj3 n ALA 1231Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2rj3 n ALA 1231Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.11 2rj3 n ALA 1231CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rj3 h GLU 1232N 0.00 0.00 0.00 0.00 4.39 -1.94 -1.67 114.58 115.37 2rj3 h GLU 1232Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rj3 h GLU 1232Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2rj3 h GLU 1232CO 0.00 0.00 0.00 2.41 -1.16 0.00 0.00 179.01 180.26 2rj3 n THR 1233N -2.58 0.00 -2.56 1.13 -1.04 -1.26 -3.52 114.28 104.44 2rj3 n THR 1233Ca -0.02 1.32 -0.42 0.00 -2.04 0.00 0.00 64.05 62.89 2rj3 n THR 1233Cb 0.34 -2.15 0.01 0.00 -1.82 0.00 0.00 70.33 66.70 2rj3 n THR 1233CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 2rj3 n MET 1234N -1.72 4.30 0.16 -2.82 -0.00 -0.64 -3.69 117.12 112.70 2rj3 n MET 1234Ca 0.00 -4.03 0.00 0.00 -0.00 0.00 0.00 57.70 53.67 2rj3 n MET 1234Cb 0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 33.22 30.54 2rj3 n MET 1234CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2rj3 n LYS 1235N 2.16 0.00 -0.04 3.17 3.00 -1.17 -4.95 118.16 120.32 2rj3 n LYS 1235Ca 0.39 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.63 2rj3 n LYS 1235Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.31 2rj3 n LYS 1235CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2rj3 n GLN 1236N -3.42 0.21 -0.01 1.64 6.02 -1.25 -4.71 117.38 115.86 2rj3 n GLN 1236Ca 0.00 0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 2rj3 n GLN 1236Cb 0.00 -1.10 -0.06 0.00 1.02 0.00 0.00 30.24 30.11 2rj3 n GLN 1236CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2rj3 h THR 1237N -0.07 1.08 -0.26 5.09 2.02 -1.78 0.31 112.91 119.30 2rj3 h THR 1237Ca -0.20 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 2rj3 h THR 1237Cb 1.27 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2rj3 h THR 1237CO -0.05 0.07 0.13 -0.08 0.37 0.00 0.00 175.52 175.96 2rj3 h GLU 1238N 0.07 0.38 -0.65 6.66 4.81 -1.81 -2.50 114.58 121.52 2rj3 h GLU 1238Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2rj3 h GLU 1238Cb 0.07 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2rj3 h GLU 1238CO -0.01 0.36 0.38 0.77 -0.73 0.00 0.00 179.01 179.79 2rj3 h SER 1239N 0.29 0.78 0.08 1.04 0.02 -1.80 -1.95 113.55 112.01 2rj3 h SER 1239Ca 0.09 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2rj3 h SER 1239Cb 0.11 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2rj3 h SER 1239CO -0.01 0.61 -0.04 -0.74 -1.14 0.00 0.00 176.83 175.51 2rj3 h HIS 1240N 0.90 -0.10 -0.25 3.45 2.76 -0.10 -2.46 115.15 119.34 2rj3 h HIS 1240Ca 0.23 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.30 2rj3 h HIS 1240Cb -0.02 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 2rj3 h HIS 1240CO 0.00 -0.04 -0.28 0.00 -1.30 0.00 0.00 177.93 176.32 2rj3 h ALA 1241N 0.78 1.06 -0.57 5.26 0.00 -1.30 -3.03 119.26 121.46 2rj3 h ALA 1241Ca -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2rj3 h ALA 1241Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2rj3 h ALA 1241CO 0.02 0.58 0.28 0.28 0.00 0.00 0.00 179.25 180.40 2rj3 h VAL 1242N 0.43 1.21 -0.95 0.00 2.07 -1.28 -1.84 116.25 115.89 2rj3 h VAL 1242Ca 0.06 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.03 2rj3 h VAL 1242Cb 0.71 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2rj3 h VAL 1242CO 0.05 0.23 0.62 0.11 0.02 0.00 0.00 177.57 178.61 2rj3 h LYS 1243N 0.77 1.20 -0.31 1.57 1.57 -1.34 -2.72 116.57 117.32 2rj3 h LYS 1243Ca 0.20 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 2rj3 h LYS 1243Cb 0.12 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2rj3 h LYS 1243CO -0.02 0.79 -0.19 0.82 -0.57 0.00 0.00 179.45 180.28 2rj3 h ILE 1244N 1.24 1.30 -0.44 1.86 2.04 -1.37 -1.90 117.51 120.24 2rj3 h ILE 1244Ca 0.37 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 2rj3 h ILE 1244Cb -0.06 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2rj3 h ILE 1244CO -0.10 0.42 -0.06 1.62 0.00 0.00 0.00 178.15 180.03 2rj3 h VAL 1245N 0.42 1.25 -0.23 1.67 3.04 -1.26 0.70 116.25 121.85 2rj3 h VAL 1245Ca 0.06 -1.08 -0.06 0.00 -1.01 0.00 0.00 66.70 64.62 2rj3 h VAL 1245Cb 0.74 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 2rj3 h VAL 1245CO 0.05 0.37 -0.08 0.58 -1.01 0.00 0.00 177.57 177.49 2rj3 h VAL 1246N 0.70 1.29 -0.40 1.51 2.07 -1.48 -1.93 116.25 118.01 2rj3 h VAL 1246Ca 0.13 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 2rj3 h VAL 1246Cb 0.51 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2rj3 h VAL 1246CO 0.03 0.34 0.11 -0.08 0.02 0.00 0.00 177.57 177.99 2rj3 h GLU 1247N 0.18 0.59 -0.27 1.57 4.57 -1.11 -2.48 114.58 117.63 2rj3 h GLU 1247Ca 0.06 -0.10 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 2rj3 h GLU 1247Cb 0.55 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2rj3 h GLU 1247CO 0.03 0.53 -0.35 0.00 -1.18 0.00 0.00 179.01 178.04 2rj3 h ALA 1248N 1.54 0.88 -0.04 2.92 0.00 -0.75 -3.11 119.26 120.71 2rj3 h ALA 1248Ca 0.13 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2rj3 h ALA 1248Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2rj3 h ALA 1248CO -0.00 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.77 2rj3 h ALA 1249N 1.11 1.74 -0.38 0.00 0.00 -0.88 -2.49 119.26 118.37 2rj3 h ALA 1249Ca 0.05 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2rj3 h ALA 1249Cb 0.85 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2rj3 h ALA 1249CO 0.07 0.19 0.25 0.00 0.00 0.00 0.00 179.25 179.77 2rj3 h ARG 1250N 0.06 0.39 -0.00 0.00 3.08 -1.46 -2.31 114.38 114.14 2rj3 h ARG 1250Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2rj3 h ARG 1250Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2rj3 h ARG 1250CO 0.02 0.26 -0.25 0.54 -1.07 0.00 0.00 179.97 179.46 2rj3 n ARG 1251N -4.48 0.50 -0.37 0.04 1.74 -0.94 -3.89 116.66 109.26 2rj3 n ARG 1251Ca 0.04 -0.24 0.08 0.00 -0.77 0.00 0.00 57.85 56.95 2rj3 n ARG 1251Cb 0.15 -1.49 0.23 0.00 -1.02 0.00 0.00 32.46 30.33 2rj3 n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2rj3 n LEU 1252N -1.04 3.65 -0.67 0.55 4.77 -0.87 -5.04 117.00 118.36 2rj3 n LEU 1252Ca 0.11 -2.66 0.13 0.00 -0.03 0.00 0.00 56.01 53.56 2rj3 n LEU 1252Cb 0.32 -0.45 0.36 0.00 -2.33 0.00 0.00 43.42 41.33 2rj3 n LEU 1252CO 0.28 0.70 0.78 0.18 -1.33 0.00 0.00 177.39 177.99