#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp6 n VAL 1006N 0.00 0.77 -4.30 2.41 0.24 -1.26 -3.22 118.33 112.96 1pp6 n VAL 1006Ca 0.00 0.11 -0.22 0.00 -2.04 0.00 0.00 64.34 62.19 1pp6 n VAL 1006Cb 0.00 -1.02 -0.13 0.00 -1.47 0.00 0.00 33.84 31.22 1pp6 n VAL 1006CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1pp6 s PHE 1007N -3.26 1.53 -0.37 6.34 0.08 -1.26 -3.99 117.98 117.05 1pp6 s PHE 1007Ca 0.06 -0.42 -0.24 0.00 0.12 0.00 0.00 56.93 56.45 1pp6 s PHE 1007Cb 0.10 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.70 1pp6 s PHE 1007CO 0.44 0.12 0.85 -1.14 -0.10 0.00 0.00 175.22 175.39 1pp6 s GLN 1008N -1.66 3.78 0.01 0.44 0.74 0.15 -4.82 119.66 118.30 1pp6 s GLN 1008Ca 0.03 0.42 -0.30 0.00 0.05 0.00 0.00 55.36 55.56 1pp6 s GLN 1008Cb -0.10 -3.81 -0.08 0.00 1.10 0.00 0.00 33.01 30.12 1pp6 s GLN 1008CO 0.03 -0.91 1.84 -2.14 -0.55 0.00 0.00 175.29 173.56 1pp6 s PRO 1009N 3.29 4.16 -0.05 1.67 0.02 -1.26 -1.67 135.00 141.15 1pp6 s PRO 1009Ca 0.35 2.45 -0.02 0.00 0.02 0.00 0.00 61.00 63.80 1pp6 s PRO 1009Cb -0.12 -4.05 0.03 0.00 0.02 0.00 0.00 34.50 30.38 1pp6 s PRO 1009CO 0.18 -0.90 0.07 0.08 -0.33 0.00 0.00 177.00 176.10 1pp6 s VAL 1010N 4.15 -0.13 -0.23 3.83 1.01 -1.16 -4.96 120.40 122.92 1pp6 s VAL 1010Ca 0.82 0.39 -0.27 0.00 0.00 0.00 0.00 61.98 62.92 1pp6 s VAL 1010Cb -0.39 -0.19 0.11 0.00 0.00 0.00 0.00 36.38 35.90 1pp6 s VAL 1010CO 0.37 0.15 0.94 1.51 0.00 0.00 0.00 175.10 178.07 1pp6 s ASP 1011N 2.18 -0.50 -0.73 3.32 3.84 -1.26 -2.77 116.67 120.75 1pp6 s ASP 1011Ca 0.05 0.83 0.03 0.00 -0.00 0.00 0.00 52.55 53.45 1pp6 s ASP 1011Cb -0.12 0.79 0.33 0.00 -1.38 0.00 0.00 42.92 42.54 1pp6 s ASP 1011CO -0.04 -0.26 1.22 0.00 -0.00 0.00 0.00 175.17 176.10 1pp6 n GLN 1012N 1.79 3.92 -4.23 2.11 6.02 -1.13 -5.02 117.38 120.83 1pp6 n GLN 1012Ca -0.13 -4.79 -0.24 0.00 -0.01 0.00 0.00 57.00 51.83 1pp6 n GLN 1012Cb 0.56 -2.32 -0.07 0.00 1.02 0.00 0.00 30.24 29.44 1pp6 n GLN 1012CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pp6 s LEU 1013N -3.67 3.36 0.34 1.08 1.43 -1.26 -4.16 118.68 115.79 1pp6 s LEU 1013Ca 0.45 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.86 1pp6 s LEU 1013Cb 0.24 -1.92 -0.10 0.00 0.03 0.00 0.00 46.19 44.44 1pp6 s LEU 1013CO -0.12 0.02 0.84 -2.84 0.23 0.00 0.00 176.35 174.47 1pp6 s PRO 1014N -3.51 4.22 0.09 1.29 0.02 -1.26 -4.90 135.00 130.95 1pp6 s PRO 1014Ca 0.31 0.96 -0.05 0.00 0.02 0.00 0.00 61.00 62.24 1pp6 s PRO 1014Cb -0.08 -2.50 0.12 0.00 0.02 0.00 0.00 34.50 32.07 1pp6 s PRO 1014CO 0.21 0.16 0.56 0.39 -0.33 0.00 0.00 177.00 177.99 1pp6 n GLU 1015N -0.09 -0.06 -0.10 5.54 1.02 -1.26 -0.74 120.64 124.95 1pp6 n GLU 1015Ca 0.03 0.56 0.03 0.00 -0.02 0.00 0.00 57.16 57.77 1pp6 n GLU 1015Cb 0.52 -0.84 0.36 0.00 -0.02 0.00 0.00 31.44 31.47 1pp6 n GLU 1015CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pp6 h ASP 1016N 0.00 0.62 0.13 1.62 3.32 -2.01 -2.10 116.42 118.00 1pp6 h ASP 1016Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1pp6 h ASP 1016Cb 0.24 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1pp6 h ASP 1016CO -0.37 0.44 -0.09 0.18 -1.72 0.00 0.00 179.24 177.69 1pp6 n LEU 1017N -4.46 0.99 0.13 1.55 4.77 0.08 -4.18 117.00 115.89 1pp6 n LEU 1017Ca 0.06 -0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 55.65 1pp6 n LEU 1017Cb 0.08 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1pp6 n LEU 1017CO 0.35 0.17 0.40 0.40 -1.33 0.00 0.00 177.39 177.39 1pp6 h ILE 1018N 1.41 0.58 -0.96 -0.08 1.08 -1.34 -1.98 117.51 116.22 1pp6 h ILE 1018Ca 0.00 -0.81 0.22 0.00 -0.39 0.00 0.00 64.86 63.88 1pp6 h ILE 1018Cb 0.42 0.92 -0.18 0.00 -3.07 0.00 0.00 36.82 34.91 1pp6 h ILE 1018CO 0.00 0.13 -0.12 -0.65 -0.69 0.00 0.00 178.15 176.82 1pp6 h PRO 1019N -0.91 0.01 -0.04 2.37 0.11 -1.73 0.55 132.00 132.36 1pp6 h PRO 1019Ca -0.04 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1pp6 h PRO 1019Cb 0.51 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1pp6 h PRO 1019CO 0.06 0.01 -0.01 0.77 -0.21 0.00 0.00 178.00 178.63 1pp6 h SER 1020N 0.01 0.07 -0.60 -2.05 0.02 -1.79 -2.59 113.55 106.62 1pp6 h SER 1020Ca 0.51 -0.35 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1pp6 h SER 1020Cb 0.90 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.34 1pp6 h SER 1020CO -0.94 0.40 0.21 0.77 -1.14 0.00 0.00 176.83 176.13 1pp6 h SER 1021N -0.26 0.19 -0.63 3.07 4.64 0.01 0.14 113.55 120.71 1pp6 h SER 1021Ca 0.01 0.08 0.13 0.00 -0.47 0.00 0.00 61.79 61.54 1pp6 h SER 1021Cb 0.37 0.07 -0.12 0.00 -0.31 0.00 0.00 62.40 62.41 1pp6 h SER 1021CO 0.00 0.11 -0.17 0.40 -0.87 0.00 0.00 176.83 176.30 1pp6 h ILE 1022N 0.38 0.35 -0.46 0.95 1.08 0.14 0.49 117.51 120.44 1pp6 h ILE 1022Ca 0.31 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.83 1pp6 h ILE 1022Cb 0.39 0.35 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 1pp6 h ILE 1022CO -0.32 0.00 0.20 1.56 -0.69 0.00 0.00 178.15 178.89 1pp6 h GLN 1023N -0.02 0.38 -1.00 2.37 1.08 -0.44 0.31 115.11 117.80 1pp6 h GLN 1023Ca 0.30 -0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.64 1pp6 h GLN 1023Cb 0.47 -0.09 -0.10 0.00 -0.05 0.00 0.00 27.48 27.72 1pp6 h GLN 1023CO -0.65 0.25 0.61 0.28 -0.95 0.00 0.00 178.83 178.37 1pp6 h VAL 1024N 0.39 0.79 -0.03 -0.54 2.07 0.20 0.47 116.25 119.60 1pp6 h VAL 1024Ca 0.21 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1pp6 h VAL 1024Cb 0.17 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1pp6 h VAL 1024CO -0.18 0.15 -0.03 0.25 0.02 0.00 0.00 177.57 177.79 1pp6 h LEU 1025N 0.84 0.08 -2.06 2.57 5.85 0.18 -2.03 115.31 120.75 1pp6 h LEU 1025Ca 0.54 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.91 1pp6 h LEU 1025Cb 0.73 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1pp6 h LEU 1025CO -0.34 0.52 0.36 0.50 -0.34 0.00 0.00 178.44 179.14 1pp6 h LYS 1026N -0.36 0.00 0.00 1.25 3.64 0.42 -0.45 116.57 121.06 1pp6 h LYS 1026Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1pp6 h LYS 1026Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1pp6 h LYS 1026CO 0.01 0.00 0.00 0.34 -2.27 0.00 0.00 179.45 177.53 1pp6 n PHE 1027N -3.88 0.00 -0.40 1.91 7.35 0.07 -3.68 117.46 118.84 1pp6 n PHE 1027Ca 0.06 0.00 0.38 0.00 -0.76 0.00 0.00 57.45 57.13 1pp6 n PHE 1027Cb 0.53 -0.46 0.75 0.00 0.35 0.00 0.00 39.48 40.66 1pp6 n PHE 1027CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1pp6 h SER 1028N 0.00 0.02 -0.32 -2.13 4.64 -1.37 -1.47 113.55 112.93 1pp6 h SER 1028Ca 0.00 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1pp6 h SER 1028Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1pp6 h SER 1028CO 0.00 -0.00 -0.16 1.23 -0.87 0.00 0.00 176.83 177.03 1pp6 h GLY 1029N 0.02 0.10 -5.76 -0.77 0.00 -1.17 -3.24 103.07 92.25 1pp6 h GLY 1029Ca 0.64 0.20 -0.65 0.00 0.00 0.00 0.00 47.33 47.51 1pp6 h GLY 1029CO -0.03 -0.17 3.13 0.58 0.00 0.00 0.00 176.54 180.05 1pp6 n LYS 1030N -5.33 2.76 -2.69 4.80 2.85 -0.55 -4.36 118.16 115.63 1pp6 n LYS 1030Ca 0.01 -2.23 -0.08 0.00 -1.05 0.00 0.00 58.31 54.96 1pp6 n LYS 1030Cb 0.24 -3.00 0.09 0.00 -0.65 0.00 0.00 35.03 31.71 1pp6 n LYS 1030CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1pp6 n TYR 1031N 5.46 -1.33 -3.92 5.58 4.01 -1.22 -4.99 117.16 120.75 1pp6 n TYR 1031Ca 0.58 -2.20 -0.37 0.00 -0.16 0.00 0.00 57.90 55.75 1pp6 n TYR 1031Cb 0.32 0.98 -0.06 0.00 -0.31 0.00 0.00 39.34 40.26 1pp6 n TYR 1031CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1pp6 s LEU 1032N -3.17 4.32 -1.31 7.72 1.02 -1.26 0.29 118.68 126.29 1pp6 s LEU 1032Ca 0.24 0.44 -0.06 0.00 0.02 0.00 0.00 54.13 54.76 1pp6 s LEU 1032Cb 0.42 -2.05 0.14 0.00 0.02 0.00 0.00 46.19 44.72 1pp6 s LEU 1032CO -0.05 0.40 2.23 0.29 0.02 0.00 0.00 176.35 179.24 1pp6 n LYS 1033N 2.02 4.34 -1.52 1.70 5.02 0.16 -4.73 118.16 125.14 1pp6 n LYS 1033Ca -0.20 -3.51 -0.39 0.00 -2.02 0.00 0.00 58.31 52.19 1pp6 n LYS 1033Cb 0.55 -2.71 -0.08 0.00 -0.02 0.00 0.00 35.03 32.77 1pp6 n LYS 1033CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pp6 n LEU 1034N 2.28 1.56 -3.66 -0.35 4.77 -1.26 -3.80 117.00 116.53 1pp6 n LEU 1034Ca 0.56 -0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 1pp6 n LEU 1034Cb 0.28 -1.31 -0.17 0.00 -2.33 0.00 0.00 43.42 39.88 1pp6 n LEU 1034CO 0.72 -1.19 -0.31 -1.83 -1.33 0.00 0.00 177.39 173.46 1pp6 s GLU 1035N 8.36 -0.03 -1.10 3.23 -1.05 -1.25 -4.83 118.70 122.03 1pp6 s GLU 1035Ca 1.13 0.39 0.00 0.00 -0.15 0.00 0.00 54.97 56.34 1pp6 s GLU 1035Cb -0.63 -0.57 0.00 0.00 -0.44 0.00 0.00 34.13 32.49 1pp6 s GLU 1035CO 0.37 -0.36 0.00 1.04 0.95 0.00 0.00 175.26 177.26 1pp6 n GLN 1036N 5.31 -0.99 -0.49 -4.83 6.02 -1.26 -1.69 117.38 119.44 1pp6 n GLN 1036Ca -0.04 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1pp6 n GLN 1036Cb 0.50 -4.82 0.00 0.00 1.02 0.00 0.00 30.24 26.94 1pp6 n GLN 1036CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1pp6 n ASP 1037N -0.37 0.00 -4.22 1.08 4.64 -1.26 -4.86 116.55 111.55 1pp6 n ASP 1037Ca -0.15 0.00 -0.44 0.00 -1.38 0.00 0.00 54.79 52.83 1pp6 n ASP 1037Cb 0.60 -1.60 0.00 0.00 -1.04 0.00 0.00 41.12 39.08 1pp6 n ASP 1037CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1pp6 n LYS 1038N -2.00 3.59 -1.72 -0.67 5.02 -0.68 -5.01 118.16 116.69 1pp6 n LYS 1038Ca 0.00 -3.93 -0.39 0.00 -2.02 0.00 0.00 58.31 51.97 1pp6 n LYS 1038Cb 0.00 -2.87 0.03 0.00 -0.02 0.00 0.00 35.03 32.16 1pp6 n LYS 1038CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pp6 n ALA 1039N 4.21 1.38 -2.51 7.82 0.00 -1.26 -3.86 120.51 126.28 1pp6 n ALA 1039Ca 0.35 0.18 -0.17 0.00 0.00 0.00 0.00 53.44 53.79 1pp6 n ALA 1039Cb 0.39 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.47 1pp6 n ALA 1039CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1pp6 s TYR 1040N -1.27 1.47 -0.02 0.00 2.02 -1.25 -4.85 117.35 113.46 1pp6 s TYR 1040Ca 0.67 -1.52 -0.17 0.00 -0.37 0.00 0.00 57.07 55.69 1pp6 s TYR 1040Cb -0.45 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.58 1pp6 s TYR 1040CO 0.53 -0.96 0.46 0.12 -1.57 0.00 0.00 175.55 174.13 1pp6 s PHE 1041N -3.33 3.68 -1.20 2.71 5.99 -1.26 0.35 117.98 124.93 1pp6 s PHE 1041Ca 0.37 1.02 -0.09 0.00 0.00 0.00 0.00 56.93 58.23 1pp6 s PHE 1041Cb 0.02 -2.40 0.22 0.00 0.00 0.00 0.00 43.02 40.85 1pp6 s PHE 1041CO 0.24 0.50 1.60 -3.47 -0.00 0.00 0.00 175.22 174.09 1pp6 n ASP 1042N 2.32 5.52 -0.31 6.13 2.03 0.82 -4.53 116.55 128.53 1pp6 n ASP 1042Ca -0.11 -3.16 0.10 0.00 0.52 0.00 0.00 54.79 52.14 1pp6 n ASP 1042Cb 0.52 -1.43 0.27 0.00 -0.72 0.00 0.00 41.12 39.75 1pp6 n ASP 1042CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1pp6 h TRP 1043N 6.05 0.78 0.30 -0.67 4.06 -1.95 -2.59 115.95 121.91 1pp6 h TRP 1043Ca 0.30 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 61.28 1pp6 h TRP 1043Cb 0.70 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1pp6 h TRP 1043CO 1.10 0.12 -0.17 -1.35 -3.56 0.00 0.00 178.44 174.57 1pp6 h PRO 1044N 0.57 -0.43 0.29 0.49 0.11 -1.96 0.43 132.00 131.49 1pp6 h PRO 1044Ca 0.51 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.65 1pp6 h PRO 1044Cb 0.82 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 1pp6 h PRO 1044CO -0.42 -0.29 -0.46 0.78 -0.21 0.00 0.00 178.00 177.41 1pp6 h GLY 1045N -0.45 -1.19 -0.40 -0.55 0.00 -1.88 -0.64 103.07 97.96 1pp6 h GLY 1045Ca -0.03 0.59 0.06 0.00 0.00 0.00 0.00 47.33 47.95 1pp6 h GLY 1045CO 0.04 -0.33 -0.50 -2.75 0.00 0.00 0.00 176.54 172.99 1pp6 h PHE 1046N -0.78 -1.52 -0.74 5.60 3.57 -1.43 0.11 116.94 121.75 1pp6 h PHE 1046Ca -0.03 0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1pp6 h PHE 1046Cb 0.72 0.72 -0.09 0.00 2.79 0.00 0.00 35.95 40.10 1pp6 h PHE 1046CO -0.33 -0.47 -0.43 1.63 -2.23 0.00 0.00 178.31 176.49 1pp6 n LYS 1047N -5.39 -0.32 -0.02 1.11 4.76 0.15 0.46 118.16 118.91 1pp6 n LYS 1047Ca -0.02 1.12 -0.03 0.00 -2.87 0.00 0.00 58.31 56.51 1pp6 n LYS 1047Cb 0.35 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 31.87 1pp6 n LYS 1047CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1pp6 h THR 1048N 0.00 0.00 -0.36 -0.18 2.02 0.68 -2.20 112.91 112.88 1pp6 h THR 1048Ca 0.13 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.34 1pp6 h THR 1048Cb 0.31 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 1pp6 h THR 1048CO -0.70 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 174.98 1pp6 n ALA 1049N -2.73 -0.23 0.33 6.16 0.00 0.17 0.53 120.51 124.74 1pp6 n ALA 1049Ca -0.01 0.30 -0.17 0.00 0.00 0.00 0.00 53.44 53.56 1pp6 n ALA 1049Cb 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 1pp6 n ALA 1049CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1pp6 h ILE 1050N 0.00 0.29 -0.84 0.00 1.08 -1.11 0.58 117.51 117.51 1pp6 h ILE 1050Ca 0.06 0.00 -0.67 0.00 -0.39 0.00 0.00 64.86 63.86 1pp6 h ILE 1050Cb 0.15 0.29 -0.09 0.00 -3.07 0.00 0.00 36.82 34.09 1pp6 h ILE 1050CO -0.34 0.00 2.36 0.47 -0.69 0.00 0.00 178.15 179.96 1pp6 n ASP 1051N -5.49 7.90 0.00 1.72 9.92 0.19 -1.76 116.55 129.03 1pp6 n ASP 1051Ca -0.13 -3.00 0.00 0.00 -0.53 0.00 0.00 54.79 51.14 1pp6 n ASP 1051Cb 0.38 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 1pp6 n ASP 1051CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1pp6 n ASN 1052N 2.06 0.00 -4.66 -2.24 4.05 -0.17 -4.75 115.26 109.55 1pp6 n ASN 1052Ca 0.64 0.00 -0.45 0.00 0.45 0.00 0.00 54.58 55.22 1pp6 n ASN 1052Cb 0.31 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.29 1pp6 n ASN 1052CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1pp6 n TYR 1053N 0.00 2.08 -3.40 1.20 9.36 0.20 -4.94 117.16 121.65 1pp6 n TYR 1053Ca 0.00 0.46 -0.45 0.00 3.32 0.00 0.00 57.90 61.23 1pp6 n TYR 1053Cb 0.00 -2.44 -0.03 0.00 -0.63 0.00 0.00 39.34 36.24 1pp6 n TYR 1053CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1pp6 s THR 1054N -0.10 5.28 0.00 2.97 -1.32 -1.26 -4.98 115.64 116.23 1pp6 s THR 1054Ca 0.68 -2.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.61 1pp6 s THR 1054Cb -0.67 -4.28 0.00 0.00 -1.51 0.00 0.00 72.50 66.04 1pp6 s THR 1054CO 0.50 -1.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.52 1pp6 n GLY 1055N 3.89 1.25 0.02 6.08 0.00 -1.26 -5.02 105.19 110.15 1pp6 n GLY 1055Ca 0.13 -1.07 0.02 0.00 0.00 0.00 0.00 46.02 45.09 1pp6 n GLY 1055CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pp6 n GLU 1056N -0.76 5.06 -1.33 1.61 0.28 -1.26 -4.68 120.64 119.57 1pp6 n GLU 1056Ca 0.00 -0.09 -0.26 0.00 -0.16 0.00 0.00 57.16 56.65 1pp6 n GLU 1056Cb 0.00 -0.72 -0.01 0.00 1.43 0.00 0.00 31.44 32.15 1pp6 n GLU 1056CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pp6 n ASP 1057N -0.93 6.68 0.00 -1.84 5.75 -1.26 -4.74 116.55 120.21 1pp6 n ASP 1057Ca 0.01 -3.27 0.00 0.00 -0.01 0.00 0.00 54.79 51.52 1pp6 n ASP 1057Cb 0.06 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.01 1pp6 n ASP 1057CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1pp6 n LEU 1058N 0.42 0.00 -3.75 -2.12 0.00 -1.26 -3.82 117.00 106.47 1pp6 n LEU 1058Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 56.34 1pp6 n LEU 1058Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.89 1pp6 n LEU 1058CO 0.41 0.00 0.04 -0.94 0.00 0.00 0.00 177.39 176.89 1pp6 s SER 1059N 0.00 -0.15 0.22 1.96 1.04 -1.01 -4.92 113.70 110.84 1pp6 s SER 1059Ca 0.00 -0.12 -0.23 0.00 0.48 0.00 0.00 55.95 56.08 1pp6 s SER 1059Cb 0.00 0.35 -0.08 0.00 0.10 0.00 0.00 66.02 66.39 1pp6 s SER 1059CO 0.00 -0.59 0.79 0.12 0.98 0.00 0.00 173.24 174.54 1pp6 s PHE 1060N -2.31 3.75 -0.00 5.02 5.36 -1.26 -1.98 117.98 126.55 1pp6 s PHE 1060Ca -0.07 1.56 -0.06 0.00 -0.96 0.00 0.00 56.93 57.40 1pp6 s PHE 1060Cb -0.02 -2.74 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 1pp6 s PHE 1060CO -0.02 0.37 -0.12 -3.47 -1.46 0.00 0.00 175.22 170.53 1pp6 n ASP 1061N 1.00 1.33 -3.61 6.13 -0.08 -1.14 -4.90 116.55 115.28 1pp6 n ASP 1061Ca -0.03 0.20 -0.13 0.00 -1.51 0.00 0.00 54.79 53.32 1pp6 n ASP 1061Cb 0.50 -0.47 -0.07 0.00 2.34 0.00 0.00 41.12 43.42 1pp6 n ASP 1061CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1pp6 s LYS 1062N -2.25 0.75 -0.17 -0.67 -2.85 -1.26 -5.01 119.74 108.28 1pp6 s LYS 1062Ca -0.10 0.72 -0.00 0.00 -1.00 0.00 0.00 55.97 55.59 1pp6 s LYS 1062Cb 0.01 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1pp6 s LYS 1062CO 0.15 -0.12 -0.15 -0.47 0.10 0.00 0.00 175.35 174.85 1pp6 s TYR 1063N 0.03 2.81 0.17 1.78 5.04 -1.26 -1.11 117.35 124.81 1pp6 s TYR 1063Ca -0.01 -1.25 0.06 0.00 -2.44 0.00 0.00 57.07 53.44 1pp6 s TYR 1063Cb -0.04 -1.94 -0.04 0.00 0.35 0.00 0.00 41.96 40.29 1pp6 s TYR 1063CO 0.00 -0.61 -0.13 0.34 -1.34 0.00 0.00 175.55 173.81 1pp6 s ASP 1064N 1.10 2.21 -0.26 4.32 3.68 -1.02 -5.04 116.67 121.67 1pp6 s ASP 1064Ca 0.00 -0.99 -0.18 0.00 2.13 0.00 0.00 52.55 53.51 1pp6 s ASP 1064Cb -0.14 -0.08 0.07 0.00 -1.45 0.00 0.00 42.92 41.32 1pp6 s ASP 1064CO -0.05 -0.23 0.66 -1.58 0.13 0.00 0.00 175.17 174.10 1pp6 s GLN 1065N -3.56 0.71 0.26 4.34 0.74 -1.26 -2.09 119.66 118.79 1pp6 s GLN 1065Ca 0.19 1.09 0.02 0.00 0.05 0.00 0.00 55.36 56.71 1pp6 s GLN 1065Cb -0.00 0.20 -0.05 0.00 1.10 0.00 0.00 33.01 34.26 1pp6 s GLN 1065CO 0.04 -0.13 0.07 -1.54 -0.55 0.00 0.00 175.29 173.18 1pp6 s SER 1066N 1.20 1.39 0.03 6.67 1.04 -0.89 -5.03 113.70 118.11 1pp6 s SER 1066Ca -0.07 -1.35 0.03 0.00 0.48 0.00 0.00 55.95 55.05 1pp6 s SER 1066Cb -0.05 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1pp6 s SER 1066CO -0.12 -0.68 -0.10 0.42 0.98 0.00 0.00 173.24 173.74 1pp6 s THR 1067N -3.66 0.74 -0.34 2.02 -4.23 -1.26 -2.43 115.64 106.48 1pp6 s THR 1067Ca 0.36 -0.85 -0.06 0.00 -1.18 0.00 0.00 61.69 59.95 1pp6 s THR 1067Cb 0.08 -0.71 0.05 0.00 1.34 0.00 0.00 72.50 73.26 1pp6 s THR 1067CO 0.13 -0.11 0.11 -0.63 -0.54 0.00 0.00 174.62 173.57 1pp6 s ILE 1068N -0.88 3.69 -0.48 2.99 1.01 0.40 -4.97 121.20 122.95 1pp6 s ILE 1068Ca -0.03 -1.24 -0.46 0.00 0.00 0.00 0.00 60.65 58.92 1pp6 s ILE 1068Cb -0.07 -3.13 -0.19 0.00 0.01 0.00 0.00 42.46 39.07 1pp6 s ILE 1068CO 0.01 -0.23 1.75 -3.20 0.00 0.00 0.00 174.94 173.27 1pp6 n ASN 1069N 4.78 1.20 -4.65 3.58 2.85 -1.26 -3.02 115.26 118.74 1pp6 n ASN 1069Ca -0.12 1.05 -0.49 0.00 -0.11 0.00 0.00 54.58 54.92 1pp6 n ASN 1069Cb 0.44 -0.91 -0.05 0.00 1.24 0.00 0.00 39.78 40.50 1pp6 n ASN 1069CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1pp6 n GLN 1070N 4.98 1.80 -3.37 1.20 7.27 -1.26 -4.88 117.38 123.12 1pp6 n GLN 1070Ca 0.37 0.65 -0.07 0.00 0.07 0.00 0.00 57.00 58.02 1pp6 n GLN 1070Cb -0.04 -2.38 0.02 0.00 2.41 0.00 0.00 30.24 30.25 1pp6 n GLN 1070CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pp6 n GLN 1071N 3.56 0.90 -2.95 3.69 10.64 -0.78 -4.96 117.38 127.48 1pp6 n GLN 1071Ca 0.18 -1.79 -0.44 0.00 -1.83 0.00 0.00 57.00 53.13 1pp6 n GLN 1071Cb 0.25 2.26 0.00 0.00 -0.86 0.00 0.00 30.24 31.89 1pp6 n GLN 1071CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1pp6 n SER 1072N -1.41 5.33 -4.72 2.61 7.64 -1.26 -0.48 113.62 121.33 1pp6 n SER 1072Ca -0.07 -3.03 -0.27 0.00 1.01 0.00 0.00 58.87 56.51 1pp6 n SER 1072Cb 0.50 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.13 1pp6 n SER 1072CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pp6 s GLN 1073N 0.57 2.61 0.29 1.43 -2.07 -1.14 -4.72 119.66 116.64 1pp6 s GLN 1073Ca 0.39 -0.95 -0.29 0.00 -1.82 0.00 0.00 55.36 52.69 1pp6 s GLN 1073Cb -0.02 -2.51 -0.10 0.00 -1.09 0.00 0.00 33.01 29.29 1pp6 s GLN 1073CO -0.01 0.49 1.22 -1.21 -1.32 0.00 0.00 175.29 174.46 1pp6 s GLU 1074N -2.81 4.48 0.15 9.60 2.02 -1.26 -3.00 118.70 127.88 1pp6 s GLU 1074Ca 0.28 2.01 -0.31 0.00 0.02 0.00 0.00 54.97 56.97 1pp6 s GLU 1074Cb -0.10 -3.14 -0.08 0.00 0.10 0.00 0.00 34.13 30.91 1pp6 s GLU 1074CO 0.20 -0.02 1.54 0.28 0.02 0.00 0.00 175.26 177.28 1pp6 h VAL 1075N 3.18 0.00 0.21 2.63 2.07 -0.72 1.28 116.25 124.91 1pp6 h VAL 1075Ca -0.47 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1pp6 h VAL 1075Cb 1.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1pp6 h VAL 1075CO 0.68 0.00 -0.27 1.23 0.02 0.00 0.00 177.57 179.22 1pp6 h GLY 1076N -0.15 -1.06 -1.13 2.17 0.00 -0.37 0.16 103.07 102.68 1pp6 h GLY 1076Ca 0.13 0.49 0.44 0.00 0.00 0.00 0.00 47.33 48.39 1pp6 h GLY 1076CO -0.81 -0.33 0.96 0.00 0.00 0.00 0.00 176.54 176.35 1pp6 h ALA 1077N -1.22 2.97 0.22 3.60 0.00 -1.49 0.95 119.26 124.28 1pp6 h ALA 1077Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pp6 h ALA 1077Cb 0.45 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1pp6 h ALA 1077CO -0.07 -1.54 -0.10 1.98 0.00 0.00 0.00 179.25 179.52 1pp6 h MET 1078N 0.08 -0.28 -0.60 0.00 -1.53 0.27 -3.18 114.93 109.69 1pp6 h MET 1078Ca 0.80 0.02 0.12 0.00 -3.44 0.00 0.00 59.70 57.19 1pp6 h MET 1078Cb 2.71 0.06 -0.12 0.00 -0.55 0.00 0.00 31.60 33.71 1pp6 h MET 1078CO -0.28 0.10 -0.25 0.28 0.14 0.00 0.00 176.91 176.90 1pp6 h VAL 1079N -0.76 0.26 -0.91 -5.77 2.07 0.37 0.32 116.25 111.83 1pp6 h VAL 1079Ca -0.03 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.74 1pp6 h VAL 1079Cb 0.50 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1pp6 h VAL 1079CO 0.05 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.71 1pp6 h ASP 1080N -0.09 0.14 -0.04 0.57 3.45 -1.15 0.34 116.42 119.64 1pp6 h ASP 1080Ca 0.27 0.02 -0.20 0.00 0.43 0.00 0.00 57.03 57.54 1pp6 h ASP 1080Cb 0.52 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 1pp6 h ASP 1080CO -0.66 0.05 -0.71 0.11 -1.57 0.00 0.00 179.24 176.45 1pp6 h LYS 1081N 0.13 0.67 0.00 3.56 6.56 -0.35 -2.53 116.57 124.62 1pp6 h LYS 1081Ca 0.45 -0.52 -0.05 0.00 -1.06 0.00 0.00 60.65 59.47 1pp6 h LYS 1081Cb 1.55 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 33.30 1pp6 h LYS 1081CO -0.07 1.14 -0.22 0.82 -2.06 0.00 0.00 179.45 179.05 1pp6 h ILE 1082N 0.48 0.91 0.14 1.86 2.04 -0.03 -2.86 117.51 120.04 1pp6 h ILE 1082Ca -0.03 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1pp6 h ILE 1082Cb 1.31 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1pp6 h ILE 1082CO 0.14 0.22 -0.07 0.00 0.00 0.00 0.00 178.15 178.44 1pp6 h ALA 1083N 1.78 -0.28 -0.99 1.87 0.00 -1.10 -3.29 119.26 117.25 1pp6 h ALA 1083Ca -0.00 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.06 1pp6 h ALA 1083Cb 0.47 0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.15 1pp6 h ALA 1083CO 0.03 -0.26 -0.25 -0.22 0.00 0.00 0.00 179.25 178.54 1pp6 h LYS 1084N -0.64 -0.00 -0.74 0.00 3.64 -1.45 0.80 116.57 118.19 1pp6 h LYS 1084Ca -0.02 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.53 1pp6 h LYS 1084Cb 0.14 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.84 1pp6 h LYS 1084CO 0.03 -0.00 0.07 0.35 -2.27 0.00 0.00 179.45 177.63 1pp6 h PHE 1085N -0.00 0.07 0.23 1.91 3.57 -1.65 0.19 116.94 121.26 1pp6 h PHE 1085Ca 0.47 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 62.01 1pp6 h PHE 1085Cb 0.72 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1pp6 h PHE 1085CO -0.76 -0.19 -0.11 -0.07 -2.23 0.00 0.00 178.31 174.95 1pp6 h LEU 1086N 0.16 -0.26 -0.28 0.59 3.38 0.43 -2.26 115.31 117.06 1pp6 h LEU 1086Ca 0.41 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1pp6 h LEU 1086Cb 0.72 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1pp6 h LEU 1086CO -0.60 0.07 0.00 1.57 0.09 0.00 0.00 178.44 179.57 1pp6 n HIS 1087N -5.09 0.00 0.00 1.13 -0.00 0.18 -0.65 115.22 110.79 1pp6 n HIS 1087Ca -0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.09 1pp6 n HIS 1087Cb 0.24 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 1pp6 n HIS 1087CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1pp6 n ASP 1088N -0.23 1.01 -0.00 0.26 10.43 -0.46 -4.09 116.55 123.47 1pp6 n ASP 1088Ca 0.00 -0.06 0.05 0.00 2.57 0.00 0.00 54.79 57.35 1pp6 n ASP 1088Cb 0.01 0.32 -0.07 0.00 1.84 0.00 0.00 41.12 43.22 1pp6 n ASP 1088CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pp6 n ALA 1089N -0.42 2.80 -2.19 2.24 0.00 -0.63 -4.49 120.51 117.81 1pp6 n ALA 1089Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.19 1pp6 n ALA 1089Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1pp6 n ALA 1089CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pp6 n PHE 1090N -1.59 0.00 0.07 0.00 3.72 0.18 -4.84 117.46 115.00 1pp6 n PHE 1090Ca -0.00 -0.21 0.01 0.00 -0.05 0.00 0.00 57.45 57.20 1pp6 n PHE 1090Cb 0.22 -0.04 0.08 0.00 -0.94 0.00 0.00 39.48 38.80 1pp6 n PHE 1090CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pp6 n ALA 1091N 0.19 0.30 -0.26 4.37 0.00 -1.16 0.38 120.51 124.33 1pp6 n ALA 1091Ca 0.01 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.54 1pp6 n ALA 1091Cb 0.86 -0.33 0.29 0.00 0.00 0.00 0.00 19.45 20.26 1pp6 n ALA 1091CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pp6 n ALA 1092N -1.26 3.26 0.00 0.00 0.00 -1.26 -4.30 120.51 116.95 1pp6 n ALA 1092Ca -0.00 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1pp6 n ALA 1092Cb 0.44 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1pp6 n ALA 1092CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pp6 n VAL 1093N 0.63 0.00 -5.08 0.00 0.31 1.21 -5.01 118.33 110.38 1pp6 n VAL 1093Ca 0.20 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.21 1pp6 n VAL 1093Cb 0.84 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.62 1pp6 n VAL 1093CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1pp6 s VAL 1094N -1.00 2.52 -0.00 2.52 -7.23 -0.37 -4.72 120.40 112.11 1pp6 s VAL 1094Ca 0.00 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1pp6 s VAL 1094Cb 0.00 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.98 1pp6 s VAL 1094CO 0.00 0.57 -0.06 -1.81 -0.31 0.00 0.00 175.10 173.49 1pp6 s ASP 1095N -0.34 0.75 0.11 4.85 1.11 -1.26 -4.38 116.67 117.51 1pp6 s ASP 1095Ca 0.02 -0.12 0.00 0.00 0.18 0.00 0.00 52.55 52.64 1pp6 s ASP 1095Cb -0.12 -0.08 0.00 0.00 1.07 0.00 0.00 42.92 43.78 1pp6 s ASP 1095CO 0.02 0.08 0.00 0.18 1.18 0.00 0.00 175.17 176.63 1pp6 n LEU 1096N 2.92 0.00 0.04 1.23 4.77 -1.26 -4.00 117.00 120.70 1pp6 n LEU 1096Ca -0.13 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1pp6 n LEU 1096Cb 0.58 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 1pp6 n LEU 1096CO 0.25 0.00 -0.41 -1.20 -1.33 0.00 0.00 177.39 174.71 1pp6 n SER 1097N -0.80 0.46 0.26 -1.43 7.64 -1.26 -4.02 113.62 114.47 1pp6 n SER 1097Ca 0.00 0.19 0.13 0.00 1.01 0.00 0.00 58.87 60.19 1pp6 n SER 1097Cb 0.00 1.05 0.69 0.00 -1.01 0.00 0.00 64.21 64.94 1pp6 n SER 1097CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1pp6 h LYS 1098N 0.00 0.00 0.04 1.43 3.11 -2.00 0.81 116.57 119.96 1pp6 h LYS 1098Ca -0.06 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1pp6 h LYS 1098Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 1pp6 h LYS 1098CO 0.01 0.00 -0.02 1.25 -2.81 0.00 0.00 179.45 177.88 1pp6 h LEU 1099N 0.00 -0.04 -0.72 5.20 5.85 -1.71 -3.24 115.31 120.65 1pp6 h LEU 1099Ca 0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 1pp6 h LEU 1099Cb 0.49 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 41.41 1pp6 h LEU 1099CO 0.00 0.11 -0.04 0.00 -0.34 0.00 0.00 178.44 178.16 1pp6 h ALA 1100N -1.70 0.67 -1.06 1.25 0.00 -1.54 0.47 119.26 117.35 1pp6 h ALA 1100Ca -0.01 0.24 0.28 0.00 0.00 0.00 0.00 54.91 55.43 1pp6 h ALA 1100Cb 0.04 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1pp6 h ALA 1100CO 0.01 -0.42 0.71 0.00 0.00 0.00 0.00 179.25 179.55 1pp6 h ALA 1101N 1.69 2.51 -0.01 0.00 0.00 -1.02 0.35 119.26 122.77 1pp6 h ALA 1101Ca 0.38 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.11 1pp6 h ALA 1101Cb 0.64 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1pp6 h ALA 1101CO -0.66 -0.88 -0.86 0.82 0.00 0.00 0.00 179.25 177.66 1pp6 h ILE 1102N 0.26 1.44 0.20 0.00 2.04 -0.10 -3.04 117.51 118.31 1pp6 h ILE 1102Ca 0.57 -2.46 -0.01 0.00 1.00 0.00 0.00 64.86 63.96 1pp6 h ILE 1102Cb 1.71 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 1pp6 h ILE 1102CO -0.19 0.73 -0.10 0.40 0.00 0.00 0.00 178.15 178.99 1pp6 h ILE 1103N 0.18 0.20 -1.47 -0.67 2.04 -0.36 -2.96 117.51 114.48 1pp6 h ILE 1103Ca -0.05 -0.91 0.43 0.00 1.00 0.00 0.00 64.86 65.33 1pp6 h ILE 1103Cb 1.48 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 1pp6 h ILE 1103CO 0.14 0.06 1.04 0.25 0.00 0.00 0.00 178.15 179.64 1pp6 h LEU 1104N -1.04 0.06 -0.08 1.44 5.85 -0.59 0.62 115.31 121.57 1pp6 h LEU 1104Ca -0.03 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1pp6 h LEU 1104Cb 0.30 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1pp6 h LEU 1104CO 0.04 -0.02 -0.22 -1.13 -0.34 0.00 0.00 178.44 176.78 1pp6 h ASN 1105N 0.04 0.33 -0.53 1.25 -1.24 -1.55 -2.74 115.58 111.13 1pp6 h ASN 1105Ca 0.73 -0.60 0.03 0.00 0.71 0.00 0.00 56.30 57.17 1pp6 h ASN 1105Cb 2.77 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 41.69 1pp6 h ASN 1105CO -0.08 0.87 0.30 0.74 -1.29 0.00 0.00 177.43 177.97 1pp6 h THR 1106N -0.20 1.01 0.49 -3.57 2.02 0.42 -2.91 112.91 110.17 1pp6 h THR 1106Ca -0.01 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1pp6 h THR 1106Cb 0.84 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1pp6 h THR 1106CO 0.05 0.11 -0.23 -0.26 0.37 0.00 0.00 175.52 175.55 1pp6 h PHE 1107N 0.58 -0.60 0.00 3.16 0.04 -1.52 -2.18 116.94 116.42 1pp6 h PHE 1107Ca 0.22 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1pp6 h PHE 1107Cb 0.07 0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1pp6 h PHE 1107CO -0.08 -0.33 0.00 -2.37 -0.60 0.00 0.00 178.31 174.93 1pp6 n THR 1108N -5.34 0.18 -1.80 -1.55 5.66 -1.03 -0.77 114.28 109.62 1pp6 n THR 1108Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1pp6 n THR 1108Cb 0.29 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.54 1pp6 n THR 1108CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1pp6 n ASN 1109N 0.83 0.00 0.26 1.09 5.15 -0.97 -4.78 115.26 116.83 1pp6 n ASN 1109Ca 0.00 -0.83 0.08 0.00 -0.60 0.00 0.00 54.58 53.23 1pp6 n ASN 1109Cb 0.10 0.00 0.42 0.00 -0.53 0.00 0.00 39.78 39.77 1pp6 n ASN 1109CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1pp6 h LEU 1110N 0.00 0.00 -0.15 1.20 3.38 -0.33 0.20 115.31 119.60 1pp6 h LEU 1110Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1pp6 h LEU 1110Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1pp6 h LEU 1110CO 0.00 0.00 -0.27 -0.08 0.09 0.00 0.00 178.44 178.18 1pp6 h GLU 1111N 0.00 0.45 0.07 1.13 4.81 -1.86 -2.07 114.58 117.10 1pp6 h GLU 1111Ca 0.00 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1pp6 h GLU 1111Cb 0.97 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1pp6 h GLU 1111CO 0.00 0.88 -0.03 0.93 -0.73 0.00 0.00 179.01 180.06 1pp6 h GLU 1112N 0.07 -0.08 -1.03 1.92 5.08 -1.03 -3.34 114.58 116.16 1pp6 h GLU 1112Ca 0.01 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.63 1pp6 h GLU 1112Cb 0.85 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.02 1pp6 h GLU 1112CO 0.06 0.50 0.64 0.93 -1.00 0.00 0.00 179.01 180.15 1pp6 h GLU 1113N -0.84 0.46 -1.00 2.33 4.39 -1.49 -2.40 114.58 116.03 1pp6 h GLU 1113Ca -0.01 -0.03 0.22 0.00 0.34 0.00 0.00 59.36 59.88 1pp6 h GLU 1113Cb 0.63 -0.10 -0.11 0.00 -0.10 0.00 0.00 28.75 29.06 1pp6 h GLU 1113CO 0.01 0.31 0.61 0.66 -1.16 0.00 0.00 179.01 179.44 1pp6 h SER 1114N 0.48 0.69 -0.33 1.42 4.64 -1.49 -2.24 113.55 116.71 1pp6 h SER 1114Ca 0.61 0.11 0.05 0.00 -0.47 0.00 0.00 61.79 62.09 1pp6 h SER 1114Cb 1.38 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 63.38 1pp6 h SER 1114CO -0.35 0.19 -0.50 0.28 -0.87 0.00 0.00 176.83 175.58 1pp6 h SER 1115N 0.65 -1.64 -1.08 4.97 0.02 -1.64 -3.44 113.55 111.39 1pp6 h SER 1115Ca 0.60 0.22 -0.37 0.00 -0.84 0.00 0.00 61.79 61.40 1pp6 h SER 1115Cb 1.09 0.68 0.20 0.00 0.14 0.00 0.00 62.40 64.51 1pp6 h SER 1115CO -0.39 -0.41 -2.01 -1.20 -1.14 0.00 0.00 176.83 171.68 1pp6 n SER 1116N -5.41 -2.75 -1.12 3.07 7.64 -0.84 -4.94 113.62 109.26 1pp6 n SER 1116Ca -0.03 -0.01 0.11 0.00 1.01 0.00 0.00 58.87 59.95 1pp6 n SER 1116Cb 0.36 -0.53 0.22 0.00 -1.01 0.00 0.00 64.21 63.25 1pp6 n SER 1116CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pp6 n GLY 1117N 3.30 1.83 1.14 0.23 0.00 -1.25 -4.21 105.19 106.22 1pp6 n GLY 1117Ca -0.01 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.40 1pp6 n GLY 1117CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pp6 n PHE 1118N 1.42 0.73 -4.95 1.61 1.16 -1.20 -4.34 117.46 111.90 1pp6 n PHE 1118Ca 0.19 -0.42 -0.28 0.00 -1.87 0.00 0.00 57.45 55.07 1pp6 n PHE 1118Cb 0.59 -0.01 -0.16 0.00 -1.61 0.00 0.00 39.48 38.29 1pp6 n PHE 1118CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pp6 s LEU 1119N -1.12 1.93 -0.03 5.98 1.43 -1.26 -1.00 118.68 124.61 1pp6 s LEU 1119Ca 0.40 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 1pp6 s LEU 1119Cb 0.22 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 1pp6 s LEU 1119CO 0.29 0.15 -0.17 -1.58 0.23 0.00 0.00 176.35 175.27 1pp6 s GLN 1120N 0.14 1.66 0.14 1.70 2.00 -0.64 -4.95 119.66 119.72 1pp6 s GLN 1120Ca -0.08 -0.62 0.09 0.00 -2.00 0.00 0.00 55.36 52.75 1pp6 s GLN 1120Cb -0.14 -1.49 -0.04 0.00 0.80 0.00 0.00 33.01 32.14 1pp6 s GLN 1120CO 0.04 0.29 -0.14 0.12 -0.50 0.00 0.00 175.29 175.10 1pp6 s PHE 1121N -0.12 2.59 -0.04 1.67 5.36 -1.26 -0.81 117.98 125.38 1pp6 s PHE 1121Ca -0.00 -0.23 -0.25 0.00 -0.96 0.00 0.00 56.93 55.48 1pp6 s PHE 1121Cb -0.10 -1.33 0.05 0.00 -0.34 0.00 0.00 43.02 41.30 1pp6 s PHE 1121CO 0.01 0.44 0.55 1.21 -1.46 0.00 0.00 175.22 175.97 1pp6 s ASN 1122N -2.38 -0.49 -0.01 6.13 2.47 -0.59 -4.95 114.94 115.11 1pp6 s ASN 1122Ca 0.21 0.49 0.03 0.00 0.42 0.00 0.00 52.86 54.00 1pp6 s ASN 1122Cb -0.10 0.46 -0.00 0.00 -1.45 0.00 0.00 41.25 40.16 1pp6 s ASN 1122CO 0.12 -0.56 -0.09 -0.89 -3.72 0.00 0.00 177.10 171.96 1pp6 s THR 1123N -1.27 0.77 -1.80 -5.21 2.01 -1.26 -0.48 115.64 108.40 1pp6 s THR 1123Ca -0.12 -0.39 0.25 0.00 0.31 0.00 0.00 61.69 61.74 1pp6 s THR 1123Cb -0.02 -0.66 0.13 0.00 0.01 0.00 0.00 72.50 71.96 1pp6 s THR 1123CO 0.08 0.23 1.35 0.59 -0.69 0.00 0.00 174.62 176.17 1pp6 n ASN 1124N 3.02 1.39 0.00 3.53 4.13 -1.23 -4.93 115.26 121.16 1pp6 n ASN 1124Ca -0.15 -1.11 0.00 0.00 1.68 0.00 0.00 54.58 55.00 1pp6 n ASN 1124Cb 0.56 0.31 0.00 0.00 -1.54 0.00 0.00 39.78 39.11 1pp6 n ASN 1124CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1pp6 n ASN 1125N -0.48 0.00 0.00 6.41 5.03 -1.26 -4.22 115.26 120.74 1pp6 n ASN 1125Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1pp6 n ASN 1125Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 1pp6 n ASN 1125CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1pp6 n VAL 1126N 0.00 0.00 0.00 2.41 0.31 -1.26 -3.11 118.33 116.68 1pp6 n VAL 1126Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 64.34 64.96 1pp6 n VAL 1126Cb 0.00 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 1pp6 n VAL 1126CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1pp6 n LYS 1127N -0.20 0.00 -3.44 5.55 3.00 -1.26 -4.72 118.16 117.08 1pp6 n LYS 1127Ca 0.00 0.06 -0.21 0.00 -0.00 0.00 0.00 58.31 58.16 1pp6 n LYS 1127Cb 0.00 -1.54 0.06 0.00 0.00 0.00 0.00 35.03 33.55 1pp6 n LYS 1127CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pp6 n LYS 1128N -0.89 -2.57 -0.70 1.64 5.02 -1.18 -5.01 118.16 114.47 1pp6 n LYS 1128Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1pp6 n LYS 1128Cb 0.04 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 29.79 1pp6 n LYS 1128CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1pp6 n ASN 1129N -3.04 0.66 -3.66 4.39 0.23 -1.26 -4.47 115.26 108.13 1pp6 n ASN 1129Ca -0.12 -0.35 -0.01 0.00 -0.53 0.00 0.00 54.58 53.57 1pp6 n ASN 1129Cb 0.62 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.31 1pp6 n ASN 1129CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1pp6 s SER 1130N 0.30 -0.12 0.02 0.53 1.04 -1.09 -3.54 113.70 110.83 1pp6 s SER 1130Ca 0.00 -0.21 -0.18 0.00 0.48 0.00 0.00 55.95 56.04 1pp6 s SER 1130Cb 0.00 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.44 1pp6 s SER 1130CO 0.00 -0.52 0.41 -0.94 0.98 0.00 0.00 173.24 173.17 1pp6 s SER 1131N -2.86 -0.29 0.03 7.02 1.04 0.37 -2.67 113.70 116.34 1pp6 s SER 1131Ca 0.12 0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.71 1pp6 s SER 1131Cb 0.02 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1pp6 s SER 1131CO -0.02 -0.61 -0.24 0.26 0.98 0.00 0.00 173.24 173.61 1pp6 s TRP 1132N -2.10 2.08 -0.36 5.02 0.52 0.24 -1.54 118.94 122.80 1pp6 s TRP 1132Ca -0.08 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.65 1pp6 s TRP 1132Cb -0.02 -1.26 0.10 0.00 -1.15 0.00 0.00 33.47 31.14 1pp6 s TRP 1132CO 0.00 0.08 0.11 -2.00 0.02 0.00 0.00 176.95 175.16 1pp6 s GLU 1133N -1.08 1.83 -0.44 4.98 2.56 0.01 -0.65 118.70 125.92 1pp6 s GLU 1133Ca 0.10 -1.77 -0.17 0.00 0.00 0.00 0.00 54.97 53.12 1pp6 s GLU 1133Cb -0.09 -3.36 0.03 0.00 2.00 0.00 0.00 34.13 32.71 1pp6 s GLU 1133CO 0.01 -0.95 0.45 -0.47 -0.56 0.00 0.00 175.26 173.74 1pp6 s TYR 1134N 1.05 3.16 -0.46 5.30 5.04 1.07 -1.61 117.35 130.90 1pp6 s TYR 1134Ca 0.07 -0.46 -0.18 0.00 -2.44 0.00 0.00 57.07 54.06 1pp6 s TYR 1134Cb -0.21 -2.99 0.04 0.00 0.35 0.00 0.00 41.96 39.15 1pp6 s TYR 1134CO -0.06 -0.75 0.55 1.03 -1.34 0.00 0.00 175.55 174.98 1pp6 s ARG 1135N 2.13 3.13 -0.11 4.97 0.52 -0.17 0.33 118.95 129.76 1pp6 s ARG 1135Ca 0.11 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1pp6 s ARG 1135Cb -0.18 -4.03 0.01 0.00 0.52 0.00 0.00 34.95 31.27 1pp6 s ARG 1135CO 0.13 -1.05 -0.19 0.54 0.02 0.00 0.00 175.30 174.74 1pp6 s VAL 1136N 2.42 1.78 -0.49 3.52 0.11 -0.67 0.35 120.40 127.42 1pp6 s VAL 1136Ca 0.14 -0.83 -0.12 0.00 -2.93 0.00 0.00 61.98 58.25 1pp6 s VAL 1136Cb -0.18 -1.58 0.12 0.00 -1.53 0.00 0.00 36.38 33.21 1pp6 s VAL 1136CO 0.13 0.50 0.39 -0.22 -3.33 0.00 0.00 175.10 172.57 1pp6 s LEU 1137N 0.69 5.82 0.07 2.54 2.96 -0.67 -2.63 118.68 127.45 1pp6 s LEU 1137Ca -0.12 -1.82 -0.23 0.00 -0.22 0.00 0.00 54.13 51.74 1pp6 s LEU 1137Cb -0.16 -2.08 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 1pp6 s LEU 1137CO 0.02 -0.74 0.70 -0.36 -1.32 0.00 0.00 176.35 174.66 1pp6 s PHE 1138N 1.45 3.78 -0.14 5.38 0.08 -0.40 -2.97 117.98 125.17 1pp6 s PHE 1138Ca 0.05 1.42 -0.05 0.00 0.12 0.00 0.00 56.93 58.47 1pp6 s PHE 1138Cb -0.27 -2.71 0.07 0.00 -0.57 0.00 0.00 43.02 39.53 1pp6 s PHE 1138CO 0.01 0.40 0.27 -1.12 -0.10 0.00 0.00 175.22 174.67 1pp6 s SER 1139N -0.50 0.40 0.13 1.36 0.01 -1.11 0.35 113.70 114.33 1pp6 s SER 1139Ca 0.35 0.55 0.07 0.00 1.31 0.00 0.00 55.95 58.23 1pp6 s SER 1139Cb -0.20 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1pp6 s SER 1139CO 0.22 -0.25 -0.16 0.68 0.41 0.00 0.00 173.24 174.14 1pp6 s VAL 1140N 2.42 1.50 0.24 3.43 -7.23 -0.27 -2.84 120.40 117.65 1pp6 s VAL 1140Ca 0.02 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 1pp6 s VAL 1140Cb -0.12 -1.62 -0.10 0.00 0.56 0.00 0.00 36.38 35.10 1pp6 s VAL 1140CO -0.09 -0.36 1.49 -2.16 -0.31 0.00 0.00 175.10 173.68 1pp6 s PRO 1141N -2.63 4.23 0.25 4.82 0.04 -1.26 -1.21 135.00 139.23 1pp6 s PRO 1141Ca 0.11 2.37 -0.05 0.00 0.04 0.00 0.00 61.00 63.46 1pp6 s PRO 1141Cb -0.06 -3.10 0.47 0.00 0.04 0.00 0.00 34.50 31.85 1pp6 s PRO 1141CO 0.04 -0.50 1.66 0.35 0.04 0.00 0.00 177.00 178.59 1pp6 h PHE 1142N 5.32 0.12 0.00 0.56 3.57 -0.96 -3.45 116.94 122.10 1pp6 h PHE 1142Ca -0.46 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1pp6 h PHE 1142Cb 1.22 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1pp6 h PHE 1142CO 0.61 -0.18 0.00 0.41 -2.23 0.00 0.00 178.31 176.92 1pp6 n GLY 1143N -1.39 -0.63 0.08 2.40 0.00 -1.26 -4.97 105.19 99.42 1pp6 n GLY 1143Ca 0.14 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1pp6 n GLY 1143CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1pp6 h ASP 1144N 0.00 0.01 0.55 1.61 3.58 -1.97 -3.36 116.42 116.84 1pp6 h ASP 1144Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1pp6 h ASP 1144Cb 0.00 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1pp6 h ASP 1144CO 0.00 1.02 0.00 0.78 -2.88 0.00 0.00 179.24 178.16 1pp6 h ASN 1145N 0.00 0.00 -2.06 2.28 -0.26 -2.00 -3.14 115.58 110.41 1pp6 h ASN 1145Ca -0.23 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 54.98 1pp6 h ASN 1145Cb 1.96 0.00 -0.41 0.00 -1.06 0.00 0.00 38.32 38.81 1pp6 h ASN 1145CO 0.09 0.00 -0.92 0.00 -1.06 0.00 0.00 177.43 175.54 1pp6 n ALA 1146N -2.01 3.48 -0.27 -0.83 0.00 -1.26 -4.94 120.51 114.69 1pp6 n ALA 1146Ca -0.01 -4.04 0.02 0.00 0.00 0.00 0.00 53.44 49.42 1pp6 n ALA 1146Cb 0.19 -0.82 0.10 0.00 0.00 0.00 0.00 19.45 18.92 1pp6 n ALA 1146CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pp6 h PRO 1147N 2.97 0.01 0.00 0.00 0.13 -1.72 2.04 132.00 135.42 1pp6 h PRO 1147Ca 0.11 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1pp6 h PRO 1147Cb 0.76 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1pp6 h PRO 1147CO 0.67 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.87 1pp6 n SER 1148N -5.49 0.00 -4.37 1.44 7.64 -1.26 -4.72 113.62 106.85 1pp6 n SER 1148Ca 0.11 -0.62 -0.31 0.00 1.01 0.00 0.00 58.87 59.06 1pp6 n SER 1148Cb 0.40 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.46 1pp6 n SER 1148CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1pp6 s TYR 1149N -2.00 2.43 0.06 1.43 2.02 0.69 0.13 117.35 122.12 1pp6 s TYR 1149Ca 0.07 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.30 1pp6 s TYR 1149Cb 0.03 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.12 1pp6 s TYR 1149CO 0.06 0.10 0.27 -0.59 -1.57 0.00 0.00 175.55 173.82 1pp6 s PHE 1150N -0.74 -0.04 -0.08 2.71 -0.71 0.48 -0.38 117.98 119.21 1pp6 s PHE 1150Ca 0.12 -0.19 -0.12 0.00 -1.04 0.00 0.00 56.93 55.69 1pp6 s PHE 1150Cb -0.10 0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.72 1pp6 s PHE 1150CO 0.01 -0.52 0.28 0.71 -1.34 0.00 0.00 175.22 174.36 1pp6 s TYR 1151N -2.97 3.62 -0.30 3.49 2.02 -0.35 0.17 117.35 123.03 1pp6 s TYR 1151Ca -0.02 0.73 -0.01 0.00 -0.37 0.00 0.00 57.07 57.40 1pp6 s TYR 1151Cb 0.01 -2.17 0.10 0.00 -0.40 0.00 0.00 41.96 39.49 1pp6 s TYR 1151CO -0.06 0.58 0.08 0.45 -1.57 0.00 0.00 175.55 175.04 1pp6 s SER 1152N -0.69 3.99 -0.51 2.29 0.15 -0.58 -1.12 113.70 117.22 1pp6 s SER 1152Ca 0.19 -1.59 -0.23 0.00 0.70 0.00 0.00 55.95 55.02 1pp6 s SER 1152Cb -0.14 -0.90 0.04 0.00 -1.71 0.00 0.00 66.02 63.30 1pp6 s SER 1152CO 0.08 -0.40 0.84 -0.22 1.20 0.00 0.00 173.24 174.74 1pp6 s LEU 1153N 1.58 4.31 -0.32 3.45 2.96 1.08 -2.81 118.68 128.93 1pp6 s LEU 1153Ca 0.08 -0.39 -0.23 0.00 -0.22 0.00 0.00 54.13 53.38 1pp6 s LEU 1153Cb -0.17 -2.80 0.00 0.00 0.50 0.00 0.00 46.19 43.72 1pp6 s LEU 1153CO -0.22 -1.07 0.77 -0.69 -1.32 0.00 0.00 176.35 173.82 1pp6 s VAL 1154N 3.51 4.79 -0.01 1.68 1.01 0.66 -1.27 120.40 130.78 1pp6 s VAL 1154Ca 0.27 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.38 1pp6 s VAL 1154Cb -0.14 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1pp6 s VAL 1154CO 0.19 -0.28 -0.15 0.28 0.00 0.00 0.00 175.10 175.14 1pp6 s THR 1155N 2.96 1.17 -0.29 3.92 -1.32 -1.08 0.17 115.64 121.17 1pp6 s THR 1155Ca 0.31 -0.68 0.01 0.00 -1.21 0.00 0.00 61.69 60.12 1pp6 s THR 1155Cb -0.14 -0.98 0.06 0.00 -1.51 0.00 0.00 72.50 69.93 1pp6 s THR 1155CO 0.13 0.30 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.92 1pp6 s THR 1156N -0.40 2.61 -0.33 5.08 2.01 0.46 -1.66 115.64 123.40 1pp6 s THR 1156Ca 0.05 -1.60 -0.08 0.00 0.31 0.00 0.00 61.69 60.38 1pp6 s THR 1156Cb -0.06 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.91 1pp6 s THR 1156CO -0.00 -0.14 0.12 -0.63 -0.69 0.00 0.00 174.62 173.28 1pp6 s ILE 1157N 1.16 4.10 -0.39 1.82 1.01 0.15 -1.98 121.20 127.07 1pp6 s ILE 1157Ca -0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 1pp6 s ILE 1157Cb -0.20 -3.22 0.08 0.00 0.01 0.00 0.00 42.46 39.14 1pp6 s ILE 1157CO -0.03 -0.07 0.19 -0.22 0.00 0.00 0.00 174.94 174.80 1pp6 s LEU 1158N 1.49 4.95 0.07 2.97 2.96 -0.88 0.35 118.68 130.58 1pp6 s LEU 1158Ca 0.01 -1.66 -0.14 0.00 -0.22 0.00 0.00 54.13 52.12 1pp6 s LEU 1158Cb -0.18 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.57 1pp6 s LEU 1158CO 0.04 -0.49 0.47 -0.63 -1.32 0.00 0.00 176.35 174.43 1pp6 s ILE 1159N 1.28 4.94 -0.05 6.68 1.09 0.18 -2.68 121.20 132.64 1pp6 s ILE 1159Ca 0.03 0.83 0.01 0.00 -1.10 0.00 0.00 60.65 60.43 1pp6 s ILE 1159Cb -0.22 -3.74 0.02 0.00 -1.06 0.00 0.00 42.46 37.46 1pp6 s ILE 1159CO -0.01 0.43 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.30 1pp6 s THR 1160N -1.25 0.74 0.06 2.92 2.01 0.83 -0.59 115.64 120.37 1pp6 s THR 1160Ca 0.30 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1pp6 s THR 1160Cb -0.16 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1pp6 s THR 1160CO 0.17 0.27 -0.06 0.00 -0.69 0.00 0.00 174.62 174.31 1pp6 s ALA 1161N 0.87 0.66 0.00 7.40 0.00 -1.09 0.10 121.76 129.70 1pp6 s ALA 1161Ca -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1pp6 s ALA 1161Cb -0.15 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1pp6 s ALA 1161CO 0.01 -0.18 1.54 -0.40 0.00 0.00 0.00 175.76 176.73 1pp6 n ASP 1162N 0.69 4.18 -4.76 0.00 5.68 -1.18 -2.66 116.55 118.50 1pp6 n ASP 1162Ca -0.17 -2.11 -0.39 0.00 -0.50 0.00 0.00 54.79 51.61 1pp6 n ASP 1162Cb 0.58 -0.86 -0.05 0.00 -1.14 0.00 0.00 41.12 39.65 1pp6 n ASP 1162CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1pp6 s ILE 1163N 0.24 4.75 0.00 2.12 -1.09 -1.26 -4.83 121.20 121.13 1pp6 s ILE 1163Ca 0.00 1.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.93 1pp6 s ILE 1163Cb 0.00 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1pp6 s ILE 1163CO 0.00 0.40 0.23 -0.62 -1.23 0.00 0.00 174.94 173.73 1pp6 n GLU 1164N 2.61 0.00 -3.52 2.79 -0.58 -1.26 -3.29 120.64 117.39 1pp6 n GLU 1164Ca -0.04 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.50 1pp6 n GLU 1164Cb 0.50 -0.68 -0.01 0.00 -0.57 0.00 0.00 31.44 30.68 1pp6 n GLU 1164CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1pp6 s GLU 1165N -0.46 3.12 0.00 3.49 2.02 -1.26 -4.73 118.70 120.87 1pp6 s GLU 1165Ca 0.00 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 53.98 1pp6 s GLU 1165Cb 0.00 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1pp6 s GLU 1165CO 0.00 0.09 0.35 1.17 0.02 0.00 0.00 175.26 176.89 1pp6 n LYS 1166N -1.61 0.00 -0.21 1.61 4.81 -1.26 0.23 118.16 121.73 1pp6 n LYS 1166Ca -0.01 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1pp6 n LYS 1166Cb 0.58 -1.42 0.18 0.00 0.02 0.00 0.00 35.03 34.39 1pp6 n LYS 1166CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1pp6 n THR 1167N -0.84 1.03 1.29 3.15 -1.04 -1.26 -4.23 114.28 112.38 1pp6 n THR 1167Ca 0.00 -1.02 0.13 0.00 -2.04 0.00 0.00 64.05 61.12 1pp6 n THR 1167Cb 0.00 0.48 0.36 0.00 -1.82 0.00 0.00 70.33 69.35 1pp6 n THR 1167CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pp6 n GLY 1168N 0.66 -0.01 0.02 3.41 0.00 0.14 -3.73 105.19 105.67 1pp6 n GLY 1168Ca 0.14 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.70 1pp6 n GLY 1168CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pp6 n TRP 1169N 0.11 0.00 -1.88 1.61 7.02 -1.26 -4.92 117.44 118.12 1pp6 n TRP 1169Ca 0.15 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.23 1pp6 n TRP 1169Cb 0.41 -0.35 -0.00 0.00 -2.42 0.00 0.00 31.31 28.94 1pp6 n TRP 1169CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1pp6 s TRP 1170N -2.73 2.67 -1.37 -5.99 0.23 -1.24 -2.81 118.94 107.70 1pp6 s TRP 1170Ca -0.05 1.25 -0.06 0.00 -2.03 0.00 0.00 56.10 55.21 1pp6 s TRP 1170Cb 0.07 -3.92 0.03 0.00 0.03 0.00 0.00 33.47 29.68 1pp6 s TRP 1170CO 0.51 -2.70 0.92 0.41 0.96 0.00 0.00 176.95 177.06 1pp6 n GLY 1171N 0.56 -0.41 3.63 0.98 0.00 -1.26 -4.94 105.19 103.75 1pp6 n GLY 1171Ca 0.02 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1pp6 n GLY 1171CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pp6 s LEU 1172N -6.92 4.07 0.98 0.99 2.96 -1.12 -5.04 118.68 114.60 1pp6 s LEU 1172Ca 0.30 0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 54.98 1pp6 s LEU 1172Cb -0.15 -3.16 0.18 0.00 0.50 0.00 0.00 46.19 43.56 1pp6 s LEU 1172CO 0.79 -0.57 1.10 0.28 -1.32 0.00 0.00 176.35 176.63 1pp6 s THR 1173N 2.92 2.12 0.06 3.68 -1.32 -1.26 -4.33 115.64 117.51 1pp6 s THR 1173Ca 0.34 0.04 -0.09 0.00 -1.21 0.00 0.00 61.69 60.77 1pp6 s THR 1173Cb -0.15 -2.57 -0.31 0.00 -1.51 0.00 0.00 72.50 67.97 1pp6 s THR 1173CO 0.10 -0.05 1.08 -1.28 -2.21 0.00 0.00 174.62 172.25 1pp6 h SER 1174N -1.82 0.59 -0.53 8.08 0.87 -1.96 -3.27 113.55 115.52 1pp6 h SER 1174Ca -0.54 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 59.39 1pp6 h SER 1174Cb 1.33 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1pp6 h SER 1174CO 0.58 1.50 0.00 -0.24 -0.53 0.00 0.00 176.83 178.14 1pp6 n SER 1175N -3.60 4.38 -4.74 6.23 2.88 -1.26 0.37 113.62 117.87 1pp6 n SER 1175Ca -0.12 -2.50 -0.41 0.00 -1.33 0.00 0.00 58.87 54.51 1pp6 n SER 1175Cb 1.06 -0.57 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 1pp6 n SER 1175CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1pp6 s THR 1176N -2.00 3.54 0.31 2.46 2.01 -1.23 -4.74 115.64 115.99 1pp6 s THR 1176Ca 0.44 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.83 1pp6 s THR 1176Cb 0.30 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1pp6 s THR 1176CO 0.19 0.25 0.48 -0.54 -0.69 0.00 0.00 174.62 174.31 1pp6 s LYS 1177N -0.60 3.42 -0.29 4.92 1.02 -1.26 -0.76 119.74 126.19 1pp6 s LYS 1177Ca 0.50 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.66 1pp6 s LYS 1177Cb -0.32 -2.75 0.20 0.00 -0.52 0.00 0.00 37.83 34.43 1pp6 s LYS 1177CO 0.38 0.22 1.38 0.15 -0.92 0.00 0.00 175.35 176.56 1pp6 s LYS 1178N -4.20 0.03 -0.79 1.68 1.02 -1.16 -4.94 119.74 111.38 1pp6 s LYS 1178Ca 0.39 0.01 -0.25 0.00 0.02 0.00 0.00 55.97 56.13 1pp6 s LYS 1178Cb -0.09 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.21 1pp6 s LYS 1178CO 0.33 -0.01 1.80 -0.80 -0.92 0.00 0.00 175.35 175.76 1pp6 s ASN 1179N -1.02 5.42 -0.04 2.83 -0.87 -1.25 -2.86 114.94 117.15 1pp6 s ASN 1179Ca 0.09 -0.37 -0.07 0.00 -1.57 0.00 0.00 52.86 50.94 1pp6 s ASN 1179Cb -0.01 -2.55 -0.05 0.00 -0.02 0.00 0.00 41.25 38.63 1pp6 s ASN 1179CO -0.08 -2.40 0.23 -0.36 -2.57 0.00 0.00 177.10 171.92 1pp6 s PHE 1180N 8.78 3.60 -0.09 2.20 0.08 0.37 -3.07 117.98 129.85 1pp6 s PHE 1180Ca 0.63 0.60 -0.00 0.00 0.12 0.00 0.00 56.93 58.28 1pp6 s PHE 1180Cb -0.08 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1pp6 s PHE 1180CO 0.08 0.66 -0.05 0.00 -0.10 0.00 0.00 175.22 175.81 1pp6 s ALA 1181N -1.18 1.09 0.02 5.36 0.00 0.12 -1.87 121.76 125.30 1pp6 s ALA 1181Ca 0.23 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 51.88 1pp6 s ALA 1181Cb -0.13 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1pp6 s ALA 1181CO 0.12 -0.36 -0.22 0.08 0.00 0.00 0.00 175.76 175.37 1pp6 s VAL 1182N 1.66 1.78 -0.19 0.00 1.01 -1.17 -0.12 120.40 123.37 1pp6 s VAL 1182Ca 0.02 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 1pp6 s VAL 1182Cb -0.13 -1.52 0.10 0.00 0.00 0.00 0.00 36.38 34.83 1pp6 s VAL 1182CO -0.06 0.33 0.30 -1.58 0.00 0.00 0.00 175.10 174.09 1pp6 s GLN 1183N -0.97 0.24 0.07 2.72 0.74 -1.09 0.15 119.66 121.52 1pp6 s GLN 1183Ca 0.09 0.53 0.09 0.00 0.05 0.00 0.00 55.36 56.12 1pp6 s GLN 1183Cb -0.09 -0.51 -0.03 0.00 1.10 0.00 0.00 33.01 33.47 1pp6 s GLN 1183CO 0.01 -0.51 -0.23 0.96 -0.55 0.00 0.00 175.29 174.97 1pp6 s ILE 1184N 2.44 2.42 -0.02 -2.34 -0.00 -1.02 -2.07 121.20 120.61 1pp6 s ILE 1184Ca 0.06 -1.44 -0.00 0.00 -0.00 0.00 0.00 60.65 59.27 1pp6 s ILE 1184Cb -0.14 -2.01 0.03 0.00 -0.00 0.00 0.00 42.46 40.34 1pp6 s ILE 1184CO -0.12 0.26 0.04 -1.81 -0.00 0.00 0.00 174.94 173.31 1pp6 s ASP 1185N -1.59 0.09 0.01 4.36 1.11 -0.84 -2.10 116.67 117.72 1pp6 s ASP 1185Ca 0.14 0.06 0.03 0.00 0.18 0.00 0.00 52.55 52.96 1pp6 s ASP 1185Cb -0.10 -0.06 -0.01 0.00 1.07 0.00 0.00 42.92 43.82 1pp6 s ASP 1185CO 0.05 -0.13 -0.10 0.00 1.18 0.00 0.00 175.17 176.16 1pp6 s ALA 1186N 1.12 0.84 -0.12 5.23 0.00 -0.89 -0.41 121.76 127.53 1pp6 s ALA 1186Ca -0.09 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1pp6 s ALA 1186Cb -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1pp6 s ALA 1186CO -0.03 0.18 -0.22 -1.17 0.00 0.00 0.00 175.76 174.52 1pp6 s LEU 1187N -0.54 2.16 0.42 0.00 0.20 0.45 -2.42 118.68 118.95 1pp6 s LEU 1187Ca 0.02 -0.56 -0.22 0.00 0.69 0.00 0.00 54.13 54.06 1pp6 s LEU 1187Cb -0.05 -1.45 -0.10 0.00 -0.43 0.00 0.00 46.19 44.16 1pp6 s LEU 1187CO 0.00 0.12 0.99 -1.61 -0.29 0.00 0.00 176.35 175.56 1pp6 s GLU 1188N 0.58 4.16 -0.09 1.98 0.41 -0.26 -0.24 118.70 125.23 1pp6 s GLU 1188Ca -0.13 1.29 -0.12 0.00 -0.41 0.00 0.00 54.97 55.61 1pp6 s GLU 1188Cb -0.17 -2.33 0.03 0.00 -1.78 0.00 0.00 34.13 29.88 1pp6 s GLU 1188CO 0.04 -0.11 0.31 -1.17 -0.49 0.00 0.00 175.26 173.84 1pp6 s LEU 1189N -2.97 0.81 -0.14 1.80 2.96 -1.12 -2.87 118.68 117.14 1pp6 s LEU 1189Ca 0.61 0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 54.99 1pp6 s LEU 1189Cb -0.15 1.14 -0.02 0.00 0.50 0.00 0.00 46.19 47.66 1pp6 s LEU 1189CO 0.19 -0.20 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.23 1pp6 s VAL 1190N -0.24 3.35 0.02 1.68 1.01 -0.84 -1.53 120.40 123.85 1pp6 s VAL 1190Ca -0.04 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1pp6 s VAL 1190Cb -0.03 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1pp6 s VAL 1190CO 0.01 0.51 -0.11 -0.69 0.00 0.00 0.00 175.10 174.83 1pp6 s VAL 1191N 0.34 0.84 -0.07 2.92 1.01 0.45 -2.41 120.40 123.48 1pp6 s VAL 1191Ca -0.09 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1pp6 s VAL 1191Cb -0.15 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1pp6 s VAL 1191CO 0.05 0.02 0.03 -0.75 0.00 0.00 0.00 175.10 174.45 1pp6 s LYS 1192N -0.82 3.03 0.47 2.72 2.20 -1.25 -0.39 119.74 125.70 1pp6 s LYS 1192Ca 0.00 -0.40 -0.21 0.00 -0.36 0.00 0.00 55.97 55.00 1pp6 s LYS 1192Cb -0.06 -2.84 -0.11 0.00 -1.51 0.00 0.00 37.83 33.30 1pp6 s LYS 1192CO 0.00 0.70 0.52 1.17 -0.36 0.00 0.00 175.35 177.38 1pp6 n LYS 1193N 1.90 0.56 -0.53 4.03 4.81 0.35 -1.99 118.16 127.29 1pp6 n LYS 1193Ca -0.18 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1pp6 n LYS 1193Cb 0.54 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1pp6 n LYS 1193CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pp6 n GLY 1194N 1.80 0.76 3.76 3.14 0.00 -1.26 -5.04 105.19 108.35 1pp6 n GLY 1194Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1pp6 n GLY 1194CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pp6 s PHE 1195N -3.03 2.52 -0.05 1.61 5.36 -0.84 -5.04 117.98 118.51 1pp6 s PHE 1195Ca 0.00 1.53 -0.07 0.00 -0.96 0.00 0.00 56.93 57.43 1pp6 s PHE 1195Cb 0.00 -3.39 0.01 0.00 -0.34 0.00 0.00 43.02 39.30 1pp6 s PHE 1195CO 0.00 -1.92 0.18 0.21 -1.46 0.00 0.00 175.22 172.23 1pp6 s LYS 1196N -3.32 0.33 -0.08 10.12 2.20 -1.26 -4.63 119.74 123.09 1pp6 s LYS 1196Ca 0.75 0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 56.10 1pp6 s LYS 1196Cb -0.27 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.15 1pp6 s LYS 1196CO 0.30 -0.06 1.57 0.00 -0.36 0.00 0.00 175.35 176.80 1pp6 s ALA 1197N -0.43 3.63 -2.00 3.13 0.00 -1.26 -5.02 121.76 119.81 1pp6 s ALA 1197Ca -0.05 0.84 0.07 0.00 0.00 0.00 0.00 51.96 52.82 1pp6 s ALA 1197Cb -0.03 -3.72 0.45 0.00 0.00 0.00 0.00 23.12 19.81 1pp6 s ALA 1197CO 0.01 -1.35 0.90 -0.35 0.00 0.00 0.00 175.76 174.98