#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i94 s SER 1007N 0.00 5.54 0.00 -1.43 0.01 -1.26 -4.70 113.70 111.86 3i94 s SER 1007Ca 0.00 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.85 3i94 s SER 1007Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 3i94 s SER 1007CO 0.00 -1.94 0.34 0.18 0.41 0.00 0.00 173.24 172.24 3i94 n LEU 1008N 11.47 0.29 0.16 2.44 4.77 -1.26 -3.90 117.00 130.98 3i94 n LEU 1008Ca 0.27 -0.15 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 3i94 n LEU 1008Cb 0.46 -0.15 0.30 0.00 -2.33 0.00 0.00 43.42 41.70 3i94 n LEU 1008CO 0.67 0.07 0.66 0.71 -1.33 0.00 0.00 177.39 178.18 3i94 h THR 1009N 0.00 1.32 -0.63 -5.08 1.35 -2.06 -2.99 112.91 104.81 3i94 h THR 1009Ca 0.00 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 3i94 h THR 1009Cb 0.15 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3i94 h THR 1009CO 0.00 0.43 0.00 0.59 -0.25 0.00 0.00 175.52 176.29 3i94 n ASN 1010N -4.02 4.06 -4.71 5.36 4.13 -1.25 -4.94 115.26 113.88 3i94 n ASN 1010Ca -0.02 -2.23 -0.42 0.00 1.68 0.00 0.00 54.58 53.59 3i94 n ASN 1010Cb 0.46 -0.51 -0.03 0.00 -1.54 0.00 0.00 39.78 38.17 3i94 n ASN 1010CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3i94 s SER 1011N -0.92 6.98 0.22 6.41 0.15 -1.13 -4.93 113.70 120.48 3i94 s SER 1011Ca 0.46 2.12 0.11 0.00 0.70 0.00 0.00 55.95 59.34 3i94 s SER 1011Cb 0.27 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 62.04 3i94 s SER 1011CO 0.26 -0.55 1.42 -1.28 1.20 0.00 0.00 173.24 174.29 3i94 h SER 1012N 6.87 0.00 0.37 5.45 0.87 -1.92 -3.33 113.55 121.86 3i94 h SER 1012Ca -0.41 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 59.84 3i94 h SER 1012Cb 1.21 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.19 3i94 h SER 1012CO 0.84 0.72 -1.33 -0.07 -0.53 0.00 0.00 176.83 176.46 3i94 h LEU 1013N 0.00 0.70 -0.69 2.23 3.38 -1.98 -3.39 115.31 115.55 3i94 h LEU 1013Ca -0.01 -0.72 0.14 0.00 0.09 0.00 0.00 57.88 57.39 3i94 h LEU 1013Cb 1.48 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.88 3i94 h LEU 1013CO 0.09 1.55 -0.15 -0.03 0.09 0.00 0.00 178.44 179.99 3i94 h MET 1014N 0.15 0.01 -0.01 1.13 4.05 -1.91 0.17 114.93 118.52 3i94 h MET 1014Ca -0.19 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 3i94 h MET 1014Cb 2.03 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.83 3i94 h MET 1014CO 0.24 0.01 0.03 -1.35 0.23 0.00 0.00 176.91 176.07 3i94 h PRO 1015N 0.01 0.00 -0.02 0.39 0.11 -1.79 -2.50 132.00 128.20 3i94 h PRO 1015Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3i94 h PRO 1015Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3i94 h PRO 1015CO -0.70 0.00 -0.28 0.25 -0.21 0.00 0.00 178.00 177.06 3i94 n THR 1016N -3.27 0.00 -3.34 -1.15 -2.24 0.04 -4.99 114.28 99.32 3i94 n THR 1016Ca -0.03 -0.36 -0.27 0.00 -2.27 0.00 0.00 64.05 61.12 3i94 n THR 1016Cb 0.10 1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 3i94 n THR 1016CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i94 s LEU 1017N -2.24 4.03 0.24 3.22 1.43 -0.95 -5.04 118.68 119.38 3i94 s LEU 1017Ca 0.21 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.65 3i94 s LEU 1017Cb 0.18 -3.46 -0.15 0.00 0.03 0.00 0.00 46.19 42.79 3i94 s LEU 1017CO 0.45 -0.23 0.91 -3.20 0.23 0.00 0.00 176.35 174.51 3i94 n ASN 1018N -1.23 0.61 -0.11 2.29 5.15 -1.26 -4.67 115.26 116.03 3i94 n ASN 1018Ca -0.03 1.16 0.07 0.00 -0.60 0.00 0.00 54.58 55.18 3i94 n ASN 1018Cb 0.55 -1.18 0.40 0.00 -0.53 0.00 0.00 39.78 39.02 3i94 n ASN 1018CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3i94 h PRO 1019N 2.01 0.62 -0.46 1.20 0.11 -1.97 -0.73 132.00 132.77 3i94 h PRO 1019Ca -0.37 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.64 3i94 h PRO 1019Cb 1.37 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3i94 h PRO 1019CO 0.61 0.41 0.08 1.98 -0.21 0.00 0.00 178.00 180.87 3i94 h MET 1020N 0.64 0.76 -0.53 1.05 4.05 -1.98 -1.46 114.93 117.45 3i94 h MET 1020Ca 0.25 -0.20 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 3i94 h MET 1020Cb 0.20 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.87 3i94 h MET 1020CO -0.07 0.78 0.27 0.82 0.23 0.00 0.00 176.91 178.93 3i94 h ILE 1021N 0.63 0.95 -0.49 1.77 2.04 -1.64 -0.94 117.51 119.83 3i94 h ILE 1021Ca 0.14 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.84 3i94 h ILE 1021Cb 0.38 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3i94 h ILE 1021CO 0.01 0.09 0.29 1.56 0.00 0.00 0.00 178.15 180.11 3i94 h GLN 1022N 0.51 0.57 -0.51 2.37 4.20 -0.89 -0.08 115.11 121.28 3i94 h GLN 1022Ca 0.24 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 3i94 h GLN 1022Cb 0.15 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3i94 h GLN 1022CO -0.17 0.38 0.01 1.96 -0.67 0.00 0.00 178.83 180.34 3i94 h GLN 1023N 0.59 0.86 -0.39 1.46 1.08 -0.99 -1.16 115.11 116.56 3i94 h GLN 1023Ca 0.20 -0.24 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 3i94 h GLN 1023Cb 0.01 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3i94 h GLN 1023CO -0.09 0.86 -0.27 1.25 -0.95 0.00 0.00 178.83 179.63 3i94 h LEU 1024N 0.80 0.91 -0.52 1.46 5.85 -0.79 -1.11 115.31 121.90 3i94 h LEU 1024Ca 0.15 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.47 3i94 h LEU 1024Cb 0.47 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3i94 h LEU 1024CO 0.02 1.14 0.30 0.00 -0.34 0.00 0.00 178.44 179.57 3i94 h ALA 1025N 0.79 0.67 -0.58 1.25 0.00 -0.84 -0.11 119.26 120.43 3i94 h ALA 1025Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i94 h ALA 1025Cb 0.84 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3i94 h ALA 1025CO 0.07 0.00 0.37 1.25 0.00 0.00 0.00 179.25 180.95 3i94 h LEU 1026N 0.60 0.68 -0.59 0.00 5.85 -1.09 -0.78 115.31 119.98 3i94 h LEU 1026Ca 0.21 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3i94 h LEU 1026Cb 0.04 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3i94 h LEU 1026CO -0.10 0.51 0.09 0.00 -0.34 0.00 0.00 178.44 178.60 3i94 h ALA 1027N 1.20 0.79 -0.04 1.25 0.00 -0.67 0.01 119.26 121.79 3i94 h ALA 1027Ca 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i94 h ALA 1027Cb -0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3i94 h ALA 1027CO -0.04 0.55 0.01 0.82 0.00 0.00 0.00 179.25 180.58 3i94 h ILE 1028N 0.88 1.20 -0.80 0.00 2.04 -0.85 -1.26 117.51 118.72 3i94 h ILE 1028Ca 0.18 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.51 3i94 h ILE 1028Cb 0.43 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 3i94 h ILE 1028CO 0.01 0.16 0.48 0.00 0.00 0.00 0.00 178.15 178.80 3i94 h ALA 1029N 0.78 1.11 -0.48 1.87 0.00 -1.02 -1.82 119.26 119.69 3i94 h ALA 1029Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3i94 h ALA 1029Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3i94 h ALA 1029CO 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.42 3i94 h ALA 1030N 1.40 1.08 -0.80 0.00 0.00 -0.82 -0.46 119.26 119.67 3i94 h ALA 1030Ca 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3i94 h ALA 1030Cb 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3i94 h ALA 1030CO -0.19 0.58 0.44 0.66 0.00 0.00 0.00 179.25 180.73 3i94 h SER 1031N 0.75 0.99 1.21 0.00 4.64 -0.52 -3.17 113.55 117.46 3i94 h SER 1031Ca 0.14 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 3i94 h SER 1031Cb 0.46 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3i94 h SER 1031CO 0.02 0.80 -0.81 -0.50 -0.87 0.00 0.00 176.83 175.47 3i94 h TRP 1032N 1.12 0.00 -0.90 4.77 6.55 -0.89 -3.42 115.95 123.19 3i94 h TRP 1032Ca 0.28 0.00 0.09 0.00 0.95 0.00 0.00 58.89 60.21 3i94 h TRP 1032Cb 0.03 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.26 3i94 h TRP 1032CO 0.01 0.18 0.58 0.37 -1.05 0.00 0.00 178.44 178.53 3i94 h GLN 1033N 0.00 0.90 -0.66 0.49 5.75 -1.07 -1.85 115.11 118.67 3i94 h GLN 1033Ca -0.03 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3i94 h GLN 1033Cb 1.17 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.51 3i94 h GLN 1033CO 0.02 0.59 0.00 -1.13 -2.65 0.00 0.00 178.83 175.66 3i94 n SER 1034N -4.52 3.78 -4.79 -0.69 3.41 -1.26 -4.98 113.62 104.57 3i94 n SER 1034Ca 0.15 -2.00 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 3i94 n SER 1034Cb 0.28 -0.44 0.12 0.00 -0.26 0.00 0.00 64.21 63.91 3i94 n SER 1034CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i94 s LEU 1035N -1.01 2.27 -1.41 1.04 1.43 -0.70 -4.92 118.68 115.37 3i94 s LEU 1035Ca 0.45 1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 54.55 3i94 s LEU 1035Cb 0.23 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.91 3i94 s LEU 1035CO 0.30 -2.32 2.10 -0.81 0.23 0.00 0.00 176.35 175.86 3i94 n PRO 1036N -3.64 2.98 -2.53 1.29 -0.04 -1.26 -4.94 135.00 126.87 3i94 n PRO 1036Ca 0.07 -2.82 -0.37 0.00 -0.04 0.00 0.00 63.50 60.34 3i94 n PRO 1036Cb 0.58 -3.29 -0.04 0.00 -0.04 0.00 0.00 33.50 30.71 3i94 n PRO 1036CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i94 s LEU 1037N 2.33 4.21 0.10 1.53 1.43 -1.26 -4.47 118.68 122.56 3i94 s LEU 1037Ca 0.47 2.08 0.04 0.00 -1.03 0.00 0.00 54.13 55.70 3i94 s LEU 1037Cb 0.12 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 3i94 s LEU 1037CO -0.05 -0.44 -0.11 -0.54 0.23 0.00 0.00 176.35 175.44 3i94 s LYS 1038N -2.31 0.87 0.68 1.70 1.02 -0.28 -4.97 119.74 116.44 3i94 s LYS 1038Ca 0.55 -1.14 -0.17 0.00 0.02 0.00 0.00 55.97 55.24 3i94 s LYS 1038Cb -0.24 -0.63 0.01 0.00 -0.52 0.00 0.00 37.83 36.46 3i94 s LYS 1038CO 0.30 0.11 1.23 -2.14 -0.92 0.00 0.00 175.35 173.92 3i94 s PRO 1039N -2.62 2.44 -0.19 -1.68 0.02 -1.26 -0.82 135.00 130.89 3i94 s PRO 1039Ca 0.05 1.84 0.01 0.00 0.02 0.00 0.00 61.00 62.92 3i94 s PRO 1039Cb -0.04 -1.86 0.04 0.00 0.02 0.00 0.00 34.50 32.65 3i94 s PRO 1039CO 0.01 -1.62 -0.13 -0.47 -0.33 0.00 0.00 177.00 174.46 3i94 s TYR 1040N -1.76 2.50 -0.27 6.54 5.04 -0.85 -4.52 117.35 124.04 3i94 s TYR 1040Ca 0.77 -1.60 -0.28 0.00 -2.44 0.00 0.00 57.07 53.52 3i94 s TYR 1040Cb -0.31 -1.70 0.01 0.00 0.35 0.00 0.00 41.96 40.31 3i94 s TYR 1040CO 0.41 -0.75 1.01 -0.65 -1.34 0.00 0.00 175.55 174.23 3i94 s GLN 1041N 1.37 4.16 0.94 4.97 -0.21 -1.26 -4.54 119.66 125.09 3i94 s GLN 1041Ca 0.00 1.17 -0.12 0.00 0.02 0.00 0.00 55.36 56.43 3i94 s GLN 1041Cb -0.15 -3.68 0.15 0.00 1.00 0.00 0.00 33.01 30.33 3i94 s GLN 1041CO -0.09 -0.72 1.09 -0.51 -2.12 0.00 0.00 175.29 172.95 3i94 s LEU 1042N 3.30 1.96 0.29 2.90 1.43 -1.26 -4.87 118.68 122.43 3i94 s LEU 1042Ca 0.43 1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 54.55 3i94 s LEU 1042Cb -0.14 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.32 3i94 s LEU 1042CO 0.10 -2.84 1.22 -2.65 0.23 0.00 0.00 176.35 172.41 3i94 n PRO 1043N -3.99 1.79 -2.11 1.29 -0.02 -1.26 -0.74 135.00 129.96 3i94 n PRO 1043Ca 0.06 0.63 -0.19 0.00 -2.02 0.00 0.00 63.50 61.98 3i94 n PRO 1043Cb 0.56 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3i94 n PRO 1043CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i94 n GLU 1044N 1.01 -1.67 -4.15 -0.52 1.02 -1.26 -2.00 120.64 113.07 3i94 n GLU 1044Ca 0.08 0.99 -0.32 0.00 -0.02 0.00 0.00 57.16 57.90 3i94 n GLU 1044Cb 0.33 -5.54 -0.03 0.00 -0.02 0.00 0.00 31.44 26.18 3i94 n GLU 1044CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i94 n ASP 1045N -1.69 -1.76 -4.77 1.62 10.43 0.08 -4.85 116.55 115.61 3i94 n ASP 1045Ca -0.21 -1.04 -0.41 0.00 2.57 0.00 0.00 54.79 55.70 3i94 n ASP 1045Cb 0.66 -2.71 -0.01 0.00 1.84 0.00 0.00 41.12 40.90 3i94 n ASP 1045CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3i94 s LEU 1046N -7.17 4.33 0.00 0.64 2.96 -0.85 -4.88 118.68 113.71 3i94 s LEU 1046Ca 0.41 2.88 0.00 0.00 -0.22 0.00 0.00 54.13 57.20 3i94 s LEU 1046Cb -0.22 -3.71 0.00 0.00 0.50 0.00 0.00 46.19 42.76 3i94 s LEU 1046CO 0.92 -0.78 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 3i94 n GLY 1047N 0.60 1.21 3.77 7.98 0.00 -1.26 -4.63 105.19 112.86 3i94 n GLY 1047Ca 0.01 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3i94 n GLY 1047CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i94 s TYR 1048N 0.92 3.69 -0.10 1.61 6.14 -1.26 -3.15 117.35 125.19 3i94 s TYR 1048Ca 0.00 1.79 -0.16 0.00 0.64 0.00 0.00 57.07 59.34 3i94 s TYR 1048Cb 0.00 -2.99 0.04 0.00 0.42 0.00 0.00 41.96 39.43 3i94 s TYR 1048CO 0.00 0.09 0.40 0.54 0.64 0.00 0.00 175.55 177.21 3i94 s VAL 1049N -1.50 0.02 0.04 3.14 0.11 -0.38 -5.01 120.40 116.81 3i94 s VAL 1049Ca 0.49 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.39 3i94 s VAL 1049Cb -0.22 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 3i94 s VAL 1049CO 0.27 -0.09 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.21 3i94 s GLU 1050N -0.39 0.45 0.09 1.54 -6.30 -1.26 -0.41 118.70 112.41 3i94 s GLU 1050Ca -0.05 -0.79 -0.24 0.00 -2.50 0.00 0.00 54.97 51.39 3i94 s GLU 1050Cb -0.03 0.00 0.06 0.00 0.00 0.00 0.00 34.13 34.16 3i94 s GLU 1050CO 0.02 -0.03 0.58 0.20 0.02 0.00 0.00 175.26 176.05 3i94 s GLY 1051N -1.83 -0.54 -0.03 -1.50 0.00 -0.53 -5.00 107.32 97.89 3i94 s GLY 1051Ca -0.09 0.63 -0.10 0.00 0.00 0.00 0.00 44.72 45.16 3i94 s GLY 1051CO -0.02 0.31 0.21 -1.60 0.00 0.00 0.00 173.10 171.99 3i94 s ARG 1052N -2.95 0.48 0.00 2.90 3.52 -1.04 -1.13 118.95 120.73 3i94 s ARG 1052Ca -0.03 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 3i94 s ARG 1052Cb -0.00 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 3i94 s ARG 1052CO -0.06 -0.11 0.00 1.28 -0.81 0.00 0.00 175.30 175.60 3i94 n LEU 1053N 1.81 0.00 -0.36 -0.88 4.77 -1.18 -4.86 117.00 116.30 3i94 n LEU 1053Ca -0.20 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3i94 n LEU 1053Cb 0.56 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.77 3i94 n LEU 1053CO 0.21 0.00 0.39 -0.62 -1.33 0.00 0.00 177.39 176.03 3i94 n GLU 1054N 0.00 0.95 0.00 3.23 -0.58 -1.26 -4.96 120.64 118.02 3i94 n GLU 1054Ca 0.00 -0.72 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 3i94 n GLU 1054Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3i94 n GLU 1054CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i94 n GLY 1055N 1.41 2.84 3.87 0.62 0.00 -1.26 -5.13 105.19 107.53 3i94 n GLY 1055Ca 0.10 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3i94 n GLY 1055CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i94 s GLU 1056N 3.86 3.73 0.20 1.61 0.41 -1.26 -5.02 118.70 122.24 3i94 s GLU 1056Ca 0.00 0.71 -0.23 0.00 -0.41 0.00 0.00 54.97 55.04 3i94 s GLU 1056Cb 0.00 -2.18 -0.08 0.00 -1.78 0.00 0.00 34.13 30.09 3i94 s GLU 1056CO 0.00 -0.35 0.76 0.21 -0.49 0.00 0.00 175.26 175.39 3i94 s LYS 1057N -4.58 4.41 -0.18 1.61 2.20 -1.26 -4.55 119.74 117.39 3i94 s LYS 1057Ca 0.55 1.03 -0.05 0.00 -0.36 0.00 0.00 55.97 57.13 3i94 s LYS 1057Cb -0.10 -3.04 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 3i94 s LYS 1057CO 0.42 0.46 0.01 -1.17 -0.36 0.00 0.00 175.35 174.71 3i94 s LEU 1058N -1.61 3.40 -0.08 5.43 2.96 -0.28 -0.53 118.68 127.96 3i94 s LEU 1058Ca 0.40 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 3i94 s LEU 1058Cb -0.20 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 3i94 s LEU 1058CO 0.23 0.13 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.46 3i94 s VAL 1059N 0.63 2.09 -0.02 1.68 1.01 -0.25 -1.46 120.40 124.09 3i94 s VAL 1059Ca -0.00 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.98 3i94 s VAL 1059Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3i94 s VAL 1059CO 0.02 0.56 -0.09 -0.63 0.00 0.00 0.00 175.10 174.97 3i94 s ILE 1060N 0.13 0.75 -0.04 2.22 1.01 0.45 -0.89 121.20 124.84 3i94 s ILE 1060Ca -0.12 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.24 3i94 s ILE 1060Cb -0.16 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 3i94 s ILE 1060CO 0.07 0.23 -0.25 -1.61 0.00 0.00 0.00 174.94 173.37 3i94 s GLU 1061N 0.09 2.29 0.01 2.79 2.02 0.25 -1.25 118.70 124.89 3i94 s GLU 1061Ca -0.01 -0.91 0.06 0.00 0.02 0.00 0.00 54.97 54.13 3i94 s GLU 1061Cb -0.07 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 3i94 s GLU 1061CO 0.00 0.48 -0.20 -0.80 0.02 0.00 0.00 175.26 174.76 3i94 s ASN 1062N -0.41 2.32 -0.03 -0.19 0.01 -1.19 -1.30 114.94 114.15 3i94 s ASN 1062Ca 0.04 -0.41 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 3i94 s ASN 1062Cb -0.12 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.32 3i94 s ASN 1062CO 0.01 0.20 -0.11 -0.13 -1.51 0.00 0.00 177.10 175.57 3i94 s ARG 1063N -0.73 1.15 -0.15 -0.60 1.81 -0.26 -4.80 118.95 115.38 3i94 s ARG 1063Ca 0.07 -0.37 -0.10 0.00 -1.72 0.00 0.00 55.73 53.62 3i94 s ARG 1063Cb -0.08 -1.05 0.05 0.00 -0.45 0.00 0.00 34.95 33.42 3i94 s ARG 1063CO 0.00 0.13 0.37 0.00 -0.68 0.00 0.00 175.30 175.13 3i94 s TYR 1065N 0.98 1.66 0.10 0.00 2.02 -0.30 -2.00 117.35 119.82 3i94 s TYR 1065Ca -0.06 -1.46 -0.11 0.00 -0.37 0.00 0.00 57.07 55.06 3i94 s TYR 1065Cb -0.07 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 3i94 s TYR 1065CO -0.08 -0.62 0.26 1.14 -1.57 0.00 0.00 175.55 174.68 3i94 s GLN 1066N -3.69 0.93 0.26 -0.62 -2.07 0.00 -0.08 119.66 114.39 3i94 s GLN 1066Ca 0.35 -0.90 0.02 0.00 -1.82 0.00 0.00 55.36 53.01 3i94 s GLN 1066Cb 0.04 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 3i94 s GLN 1066CO 0.20 -0.32 0.22 0.95 -1.32 0.00 0.00 175.29 175.02 3i94 s THR 1067N -3.85 0.00 0.56 3.63 -4.23 -0.45 -1.13 115.64 110.16 3i94 s THR 1067Ca 0.05 -1.96 0.24 0.00 -1.18 0.00 0.00 61.69 58.84 3i94 s THR 1067Cb 0.04 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.71 3i94 s THR 1067CO -0.11 0.00 2.19 -0.65 -0.54 0.00 0.00 174.62 175.52 3i94 h PRO 1068N 2.40 0.00 0.00 3.99 0.11 -2.01 -2.83 132.00 133.66 3i94 h PRO 1068Ca -0.31 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 3i94 h PRO 1068Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3i94 h PRO 1068CO 0.45 0.00 -1.56 1.04 -0.21 0.00 0.00 178.00 177.72 3i94 n GLN 1069N -4.15 0.64 -4.05 1.05 3.00 -1.26 -4.76 117.38 107.84 3i94 n GLN 1069Ca -0.02 0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 3i94 n GLN 1069Cb 0.12 -1.70 -0.15 0.00 0.00 0.00 0.00 30.24 28.52 3i94 n GLN 1069CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3i94 s PHE 1070N -3.20 3.08 0.29 1.08 2.99 -1.07 -1.17 117.98 119.98 3i94 s PHE 1070Ca -0.04 -1.92 -0.02 0.00 0.00 0.00 0.00 56.93 54.94 3i94 s PHE 1070Cb 0.10 -1.97 0.42 0.00 0.00 0.00 0.00 43.02 41.57 3i94 s PHE 1070CO 0.84 -0.82 1.95 -0.09 -0.00 0.00 0.00 175.22 177.10 3i94 h ARG 1071N 7.89 1.09 -2.07 0.44 2.43 -0.69 -1.20 114.38 122.27 3i94 h ARG 1071Ca -0.30 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 58.82 3i94 h ARG 1071Cb 1.09 -0.24 -0.21 0.00 -0.42 0.00 0.00 29.97 30.19 3i94 h ARG 1071CO 0.54 0.74 -0.10 0.21 -1.51 0.00 0.00 179.97 179.86 3i94 s LYS 1072N -5.87 0.60 -0.33 0.20 2.20 -1.09 -4.68 119.74 110.76 3i94 s LYS 1072Ca -0.12 1.30 0.03 0.00 -0.36 0.00 0.00 55.97 56.83 3i94 s LYS 1072Cb 0.18 0.50 0.10 0.00 -1.51 0.00 0.00 37.83 37.10 3i94 s LYS 1072CO 0.80 -0.18 0.05 -1.64 -0.36 0.00 0.00 175.35 174.02 3i94 s MET 1073N 2.31 1.36 -0.21 4.03 -1.94 0.89 -0.21 119.30 125.54 3i94 s MET 1073Ca -0.07 -1.73 -0.02 0.00 -1.71 0.00 0.00 55.69 52.16 3i94 s MET 1073Cb -0.09 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.76 3i94 s MET 1073CO -0.19 -0.94 -0.10 -1.58 -0.01 0.00 0.00 175.02 172.20 3i94 s HIS 1074N 1.03 2.90 -0.18 -0.03 5.04 -0.22 -1.15 115.29 122.67 3i94 s HIS 1074Ca 0.10 -1.23 -0.01 0.00 -1.54 0.00 0.00 55.06 52.38 3i94 s HIS 1074Cb -0.19 -2.03 -0.00 0.00 0.04 0.00 0.00 32.58 30.40 3i94 s HIS 1074CO -0.11 -0.65 -0.12 -1.17 -2.34 0.00 0.00 174.74 170.35 3i94 s LEU 1075N 1.40 2.59 -0.04 8.88 2.96 -0.32 -1.79 118.68 132.35 3i94 s LEU 1075Ca 0.05 -0.46 0.05 0.00 -0.22 0.00 0.00 54.13 53.54 3i94 s LEU 1075Cb -0.14 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3i94 s LEU 1075CO -0.07 0.03 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.11 3i94 s GLU 1076N 1.15 1.89 -0.01 1.98 2.12 0.26 -1.10 118.70 124.99 3i94 s GLU 1076Ca 0.01 -0.66 0.07 0.00 0.36 0.00 0.00 54.97 54.75 3i94 s GLU 1076Cb -0.14 -1.65 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 3i94 s GLU 1076CO -0.04 0.28 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.22 3i94 s LEU 1077N -0.03 2.22 0.05 2.70 1.43 -0.42 -0.99 118.68 123.64 3i94 s LEU 1077Ca -0.03 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 3i94 s LEU 1077Cb -0.12 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.72 3i94 s LEU 1077CO 0.02 0.31 0.19 0.00 0.23 0.00 0.00 176.35 177.10 3i94 s ALA 1078N -0.67 -0.31 -0.03 4.21 0.00 -0.06 -0.58 121.76 124.31 3i94 s ALA 1078Ca 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 3i94 s ALA 1078Cb -0.10 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.36 3i94 s ALA 1078CO -0.00 -0.39 0.07 0.15 0.00 0.00 0.00 175.76 175.59 3i94 s LYS 1079N -2.83 0.04 -0.33 0.00 1.02 -0.07 -0.63 119.74 116.94 3i94 s LYS 1079Ca -0.03 0.19 -0.10 0.00 0.02 0.00 0.00 55.97 56.04 3i94 s LYS 1079Cb 0.00 -0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 3i94 s LYS 1079CO -0.05 -0.10 0.18 0.08 -0.92 0.00 0.00 175.35 174.54 3i94 s VAL 1080N 0.64 4.71 0.00 3.17 1.01 0.51 -1.09 120.40 129.35 3i94 s VAL 1080Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3i94 s VAL 1080Cb -0.07 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3i94 s VAL 1080CO -0.02 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3i94 n GLY 1081N 5.01 1.88 0.05 4.51 0.00 0.31 -2.39 105.19 114.56 3i94 n GLY 1081Ca -0.13 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.49 3i94 n GLY 1081CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i94 n LYS 1082N 6.70 0.34 0.03 1.61 4.01 -1.26 -4.64 118.16 124.95 3i94 n LYS 1082Ca 0.00 0.04 0.11 0.00 -0.51 0.00 0.00 58.31 57.95 3i94 n LYS 1082Cb 0.00 -1.65 -0.04 0.00 -0.51 0.00 0.00 35.03 32.83 3i94 n LYS 1082CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i94 n GLY 1083N 1.33 -1.19 3.64 0.72 0.00 -1.04 -4.95 105.19 103.70 3i94 n GLY 1083Ca 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 3i94 n GLY 1083CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i94 s LEU 1084N -4.29 -1.12 -0.01 0.99 2.96 -1.00 -3.97 118.68 112.24 3i94 s LEU 1084Ca 0.00 1.55 0.05 0.00 -0.22 0.00 0.00 54.13 55.51 3i94 s LEU 1084Cb 0.13 2.30 -0.03 0.00 0.50 0.00 0.00 46.19 49.10 3i94 s LEU 1084CO 0.83 -0.22 -0.15 -1.81 -1.32 0.00 0.00 176.35 173.69 3i94 s ASP 1085N 2.76 4.03 -0.00 3.68 1.01 0.40 -0.36 116.67 128.18 3i94 s ASP 1085Ca -0.06 -0.27 0.01 0.00 0.71 0.00 0.00 52.55 52.94 3i94 s ASP 1085Cb -0.11 -0.80 -0.00 0.00 1.01 0.00 0.00 42.92 43.02 3i94 s ASP 1085CO -0.19 0.31 -0.03 -0.63 0.21 0.00 0.00 175.17 174.84 3i94 s ILE 1086N -0.83 0.24 -0.10 0.77 1.01 0.20 -0.62 121.20 121.86 3i94 s ILE 1086Ca 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.71 3i94 s ILE 1086Cb -0.11 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.15 3i94 s ILE 1086CO 0.03 0.07 -0.24 -0.22 0.00 0.00 0.00 174.94 174.59 3i94 s LEU 1087N 0.00 2.09 -0.07 2.97 0.20 -0.22 -0.88 118.68 122.77 3i94 s LEU 1087Ca 0.00 -0.56 0.05 0.00 0.69 0.00 0.00 54.13 54.31 3i94 s LEU 1087Cb -0.02 -1.41 -0.00 0.00 -0.43 0.00 0.00 46.19 44.33 3i94 s LEU 1087CO -0.00 0.15 -0.22 -2.28 -0.29 0.00 0.00 176.35 173.71 3i94 s HIS 1088N 0.40 2.24 -0.10 5.38 5.65 -0.16 -0.90 115.29 127.80 3i94 s HIS 1088Ca -0.18 -0.76 -0.06 0.00 0.25 0.00 0.00 55.06 54.31 3i94 s HIS 1088Cb -0.18 -1.50 0.04 0.00 -1.18 0.00 0.00 32.58 29.77 3i94 s HIS 1088CO 0.08 -0.28 0.23 0.00 -0.65 0.00 0.00 174.74 174.12 3i94 s VAL 1090N 0.92 0.56 -0.40 0.00 1.01 -0.74 -0.74 120.40 121.00 3i94 s VAL 1090Ca -0.07 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 3i94 s VAL 1090Cb -0.08 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.83 3i94 s VAL 1090CO -0.06 0.19 0.24 -0.04 0.00 0.00 0.00 175.10 175.44 3i94 s MET 1091N 0.27 2.76 -0.17 2.72 -1.94 0.08 -1.06 119.30 121.96 3i94 s MET 1091Ca -0.03 -1.24 -0.23 0.00 -1.71 0.00 0.00 55.69 52.48 3i94 s MET 1091Cb -0.08 -3.79 -0.02 0.00 2.01 0.00 0.00 34.83 32.95 3i94 s MET 1091CO 0.00 -0.82 0.71 -0.06 -0.01 0.00 0.00 175.02 174.84 3i94 s PHE 1092N 1.52 3.42 0.51 -0.03 0.40 0.71 -2.71 117.98 121.80 3i94 s PHE 1092Ca 0.02 1.08 -0.18 0.00 -0.60 0.00 0.00 56.93 57.25 3i94 s PHE 1092Cb -0.21 -2.87 -0.07 0.00 0.51 0.00 0.00 43.02 40.37 3i94 s PHE 1092CO 0.05 -0.16 1.02 -1.25 0.70 0.00 0.00 175.22 175.58 3i94 s PRO 1093N 1.85 3.76 -0.07 0.24 0.04 -1.26 -0.12 135.00 139.45 3i94 s PRO 1093Ca 0.33 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 3i94 s PRO 1093Cb -0.16 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 3i94 s PRO 1093CO 0.12 -0.44 1.53 -2.00 0.04 0.00 0.00 177.00 176.24 3i94 s GLU 1094N -3.63 4.21 0.54 4.56 2.56 -0.32 -4.20 118.70 122.42 3i94 s GLU 1094Ca 0.64 2.04 0.24 0.00 0.00 0.00 0.00 54.97 57.89 3i94 s GLU 1094Cb -0.14 -3.86 1.44 0.00 2.00 0.00 0.00 34.13 33.57 3i94 s GLU 1094CO 0.26 -0.77 2.06 -1.35 -0.56 0.00 0.00 175.26 174.90 3i94 h PRO 1095N 8.93 0.00 -0.51 4.30 0.11 -1.89 -1.99 132.00 140.95 3i94 h PRO 1095Ca -0.36 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.90 3i94 h PRO 1095Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3i94 h PRO 1095CO 0.95 0.00 0.37 1.25 -0.21 0.00 0.00 178.00 180.36 3i94 h LEU 1096N 0.00 0.00 -0.95 2.35 5.85 -1.92 -1.79 115.31 118.85 3i94 h LEU 1096Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3i94 h LEU 1096Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3i94 h LEU 1096CO -0.00 0.00 -0.48 -1.22 -0.34 0.00 0.00 178.44 176.40 3i94 n TYR 1097N -4.36 0.00 -1.76 1.25 4.01 -0.75 0.47 117.16 116.02 3i94 n TYR 1097Ca 0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.68 3i94 n TYR 1097Cb 0.59 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.58 3i94 n TYR 1097CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i94 n GLY 1098N 1.39 0.91 3.84 2.72 0.00 -0.67 -4.74 105.19 108.64 3i94 n GLY 1098Ca 0.09 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3i94 n GLY 1098CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i94 s LEU 1099N -3.88 3.60 1.10 0.99 1.43 -1.26 -4.92 118.68 115.74 3i94 s LEU 1099Ca 0.00 1.56 -0.16 0.00 -1.03 0.00 0.00 54.13 54.50 3i94 s LEU 1099Cb 0.00 -4.51 0.24 0.00 0.03 0.00 0.00 46.19 41.95 3i94 s LEU 1099CO 0.00 -0.61 1.12 -2.16 0.23 0.00 0.00 176.35 174.93 3i94 s PRO 1100N -4.14 -0.41 -0.21 1.29 0.04 -1.26 -4.71 135.00 125.61 3i94 s PRO 1100Ca 0.59 0.14 -0.18 0.00 0.04 0.00 0.00 61.00 61.59 3i94 s PRO 1100Cb -0.10 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 3i94 s PRO 1100CO 0.33 -3.21 0.51 -0.51 0.04 0.00 0.00 177.00 174.16 3i94 s LEU 1101N -6.66 4.13 0.06 -3.56 1.43 -0.31 -4.53 118.68 109.24 3i94 s LEU 1101Ca 0.69 0.65 -0.24 0.00 -1.03 0.00 0.00 54.13 54.19 3i94 s LEU 1101Cb -0.13 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.34 3i94 s LEU 1101CO 0.56 -0.19 0.74 0.12 0.23 0.00 0.00 176.35 177.81 3i94 s PHE 1102N 1.71 3.76 0.01 0.29 2.19 -1.10 -0.57 117.98 124.28 3i94 s PHE 1102Ca 0.23 1.46 -0.11 0.00 0.33 0.00 0.00 56.93 58.84 3i94 s PHE 1102Cb -0.15 -2.77 0.01 0.00 -1.31 0.00 0.00 43.02 38.79 3i94 s PHE 1102CO 0.09 0.34 0.22 0.20 1.83 0.00 0.00 175.22 177.91 3i94 s GLY 1103N -0.30 -0.03 -0.04 13.12 0.00 -0.46 -0.74 107.32 118.87 3i94 s GLY 1103Ca 0.37 -0.03 -0.16 0.00 0.00 0.00 0.00 44.72 44.90 3i94 s GLY 1103CO 0.23 -0.21 0.35 0.00 0.00 0.00 0.00 173.10 173.46 3i94 s ASP 1105N -1.07 0.34 -0.05 0.00 3.68 -0.33 -1.04 116.67 118.20 3i94 s ASP 1105Ca -0.11 0.16 0.03 0.00 2.13 0.00 0.00 52.55 54.75 3i94 s ASP 1105Cb -0.04 0.03 0.01 0.00 -1.45 0.00 0.00 42.92 41.46 3i94 s ASP 1105CO 0.04 -0.18 -0.14 -0.63 0.13 0.00 0.00 175.17 174.40 3i94 s ILE 1106N 1.50 1.22 -0.07 4.11 -1.09 -0.08 -0.85 121.20 125.94 3i94 s ILE 1106Ca -0.04 -0.56 0.03 0.00 -2.23 0.00 0.00 60.65 57.84 3i94 s ILE 1106Cb -0.12 -1.08 0.01 0.00 -1.58 0.00 0.00 42.46 39.69 3i94 s ILE 1106CO -0.04 0.37 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.20 3i94 s VAL 1107N 0.40 1.34 0.02 2.92 1.01 -0.22 -1.05 120.40 124.82 3i94 s VAL 1107Ca -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3i94 s VAL 1107Cb -0.14 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3i94 s VAL 1107CO 0.03 0.40 -0.04 0.00 0.00 0.00 0.00 175.10 175.49 3i94 s ALA 1108N 0.61 0.28 0.00 5.51 0.00 0.21 -0.43 121.76 127.94 3i94 s ALA 1108Ca -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3i94 s ALA 1108Cb -0.16 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3i94 s ALA 1108CO 0.05 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3i94 n GLY 1109N 2.11 4.41 0.29 0.00 0.00 -0.32 -0.45 105.19 111.23 3i94 n GLY 1109Ca -0.19 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 43.97 3i94 n GLY 1109CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i94 h PRO 1110N 0.00 0.00 -0.00 1.61 0.11 -1.94 0.35 132.00 132.13 3i94 h PRO 1110Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i94 h PRO 1110Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3i94 h PRO 1110CO 0.00 0.00 -0.00 0.41 -0.21 0.00 0.00 178.00 178.20 3i94 n GLY 1111N -1.44 -1.05 0.00 -0.55 0.00 -1.26 -5.02 105.19 95.87 3i94 n GLY 1111Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i94 n GLY 1111CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i94 n GLY 1112N 1.05 -0.75 3.69 -0.02 0.00 0.11 -4.99 105.19 104.28 3i94 n GLY 1112Ca 0.22 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3i94 n GLY 1112CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i94 s VAL 1113N -0.18 3.22 -0.12 1.61 1.01 -1.26 -1.17 120.40 123.51 3i94 s VAL 1113Ca 0.00 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.63 3i94 s VAL 1113Cb 0.00 -3.39 -0.24 0.00 0.00 0.00 0.00 36.38 32.75 3i94 s VAL 1113CO 0.00 -0.01 0.38 -1.54 0.00 0.00 0.00 175.10 173.93 3i94 n SER 1114N 5.77 1.45 -3.80 3.32 3.41 0.42 -4.35 113.62 119.85 3i94 n SER 1114Ca 0.16 0.23 -0.15 0.00 -0.26 0.00 0.00 58.87 58.84 3i94 n SER 1114Cb 0.41 -0.34 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 3i94 n SER 1114CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i94 s ALA 1115N -2.56 0.10 -0.10 7.33 0.00 -0.98 -4.25 121.76 121.30 3i94 s ALA 1115Ca -0.16 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 3i94 s ALA 1115Cb 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.02 3i94 s ALA 1115CO 0.78 -0.08 0.02 0.00 0.00 0.00 0.00 175.76 176.47 3i94 s ALA 1116N 0.87 0.73 -0.04 0.00 0.00 -0.02 -1.05 121.76 122.24 3i94 s ALA 1116Ca -0.07 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.69 3i94 s ALA 1116Cb -0.11 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 3i94 s ALA 1116CO -0.02 -0.64 -0.16 0.42 0.00 0.00 0.00 175.76 175.35 3i94 s ILE 1117N 1.97 1.37 -0.09 0.00 1.09 -0.03 -1.43 121.20 124.08 3i94 s ILE 1117Ca 0.04 -0.68 -0.17 0.00 -1.10 0.00 0.00 60.65 58.74 3i94 s ILE 1117Cb -0.13 -1.18 0.04 0.00 -1.06 0.00 0.00 42.46 40.12 3i94 s ILE 1117CO -0.06 0.40 0.42 0.00 -0.10 0.00 0.00 174.94 175.59 3i94 s ALA 1118N 0.08 -1.05 0.15 9.38 0.00 -0.70 -1.19 121.76 128.44 3i94 s ALA 1118Ca -0.04 0.88 -0.21 0.00 0.00 0.00 0.00 51.96 52.59 3i94 s ALA 1118Cb -0.11 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.76 3i94 s ALA 1118CO 0.02 -0.25 0.54 0.34 0.00 0.00 0.00 175.76 176.42 3i94 s ASP 1119N -0.58 -0.46 -0.34 0.00 2.15 -0.12 -0.90 116.67 116.42 3i94 s ASP 1119Ca -0.07 -0.11 -0.04 0.00 0.43 0.00 0.00 52.55 52.75 3i94 s ASP 1119Cb -0.04 0.57 0.06 0.00 -0.30 0.00 0.00 42.92 43.21 3i94 s ASP 1119CO 0.03 -0.95 0.10 -0.76 -0.17 0.00 0.00 175.17 173.43 3i94 s LEU 1120N -2.77 4.41 -0.10 -1.34 1.43 -1.26 -1.35 118.68 117.70 3i94 s LEU 1120Ca 0.02 -1.37 -0.05 0.00 -1.03 0.00 0.00 54.13 51.70 3i94 s LEU 1120Cb -0.00 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3i94 s LEU 1120CO -0.12 -0.36 0.11 -0.44 0.23 0.00 0.00 176.35 175.77 3i94 s SER 1121N 1.49 6.11 0.60 2.29 0.01 0.26 -4.30 113.70 120.15 3i94 s SER 1121Ca -0.01 0.38 -0.16 0.00 1.31 0.00 0.00 55.95 57.48 3i94 s SER 1121Cb -0.20 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.07 3i94 s SER 1121CO 0.00 0.39 1.06 -2.16 0.41 0.00 0.00 173.24 172.94 3i94 s PRO 1122N -1.06 3.31 0.00 12.44 0.04 -1.26 -1.16 135.00 147.30 3i94 s PRO 1122Ca 0.15 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3i94 s PRO 1122Cb -0.12 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3i94 s PRO 1122CO 0.05 -0.82 0.00 0.25 0.04 0.00 0.00 177.00 176.52 3i94 n THR 1123N -2.08 0.00 -2.20 1.26 -2.24 -1.26 -4.82 114.28 102.94 3i94 n THR 1123Ca 0.09 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 61.09 3i94 n THR 1123Cb 0.53 0.94 0.01 0.00 -2.10 0.00 0.00 70.33 69.71 3i94 n THR 1123CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i94 s GLN 1124N -1.06 3.27 0.53 -0.78 -0.21 -1.26 -3.71 119.66 116.44 3i94 s GLN 1124Ca 0.00 1.68 0.27 0.00 0.02 0.00 0.00 55.36 57.33 3i94 s GLN 1124Cb 0.00 -2.00 1.50 0.00 1.00 0.00 0.00 33.01 33.52 3i94 s GLN 1124CO 0.00 -0.93 2.10 1.03 -2.12 0.00 0.00 175.29 175.37 3i94 h SER 1125N 1.15 0.00 -0.00 5.90 0.87 -1.92 -1.54 113.55 118.00 3i94 h SER 1125Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3i94 h SER 1125Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 3i94 h SER 1125CO 0.57 0.10 0.00 -0.90 -0.53 0.00 0.00 176.83 176.06 3i94 n ASP 1126N -3.70 0.08 -1.44 6.23 3.85 -1.26 -4.90 116.55 115.41 3i94 n ASP 1126Ca -0.02 -1.09 -0.16 0.00 -0.71 0.00 0.00 54.79 52.81 3i94 n ASP 1126Cb 0.21 -0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.93 3i94 n ASP 1126CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3i94 n ARG 1127N -0.90 -1.17 -4.08 0.11 1.74 -0.58 -5.00 116.66 106.78 3i94 n ARG 1127Ca 0.22 0.95 -0.31 0.00 -0.77 0.00 0.00 57.85 57.94 3i94 n ARG 1127Cb 0.12 -5.21 -0.07 0.00 -1.02 0.00 0.00 32.46 26.28 3i94 n ARG 1127CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i94 s GLN 1128N -3.89 2.89 0.73 5.56 -1.52 -1.26 -4.83 119.66 117.33 3i94 s GLN 1128Ca 0.00 -0.65 -0.12 0.00 -1.95 0.00 0.00 55.36 52.63 3i94 s GLN 1128Cb 0.00 -2.74 0.04 0.00 -0.22 0.00 0.00 33.01 30.09 3i94 s GLN 1128CO 0.00 0.58 1.10 -0.51 -0.25 0.00 0.00 175.29 176.22 3i94 s LEU 1129N -2.19 3.17 0.70 2.90 1.43 -1.26 -4.35 118.68 119.09 3i94 s LEU 1129Ca 0.27 1.92 -0.16 0.00 -1.03 0.00 0.00 54.13 55.12 3i94 s LEU 1129Cb -0.12 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.58 3i94 s LEU 1129CO 0.19 -1.92 1.18 -2.65 0.23 0.00 0.00 176.35 173.38 3i94 n PRO 1130N -3.09 0.74 -0.35 1.29 -0.02 -1.26 -4.71 135.00 127.60 3i94 n PRO 1130Ca 0.10 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3i94 n PRO 1130Cb 0.52 -2.42 0.32 0.00 -0.02 0.00 0.00 33.50 31.91 3i94 n PRO 1130CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i94 h ALA 1131N -0.00 1.65 -0.40 3.55 0.00 -2.00 -0.86 119.26 121.19 3i94 h ALA 1131Ca -0.49 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3i94 h ALA 1131Cb 1.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3i94 h ALA 1131CO 0.50 -0.08 -0.26 0.00 0.00 0.00 0.00 179.25 179.40 3i94 h ALA 1132N 1.65 0.78 -0.36 0.00 0.00 -2.00 -1.77 119.26 117.56 3i94 h ALA 1132Ca 0.58 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3i94 h ALA 1132Cb 0.92 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3i94 h ALA 1132CO -0.40 0.65 0.03 1.88 0.00 0.00 0.00 179.25 181.41 3i94 h TYR 1133N 0.72 0.66 -0.63 0.00 -1.99 -1.56 -1.91 116.97 112.26 3i94 h TYR 1133Ca 0.09 -0.10 0.09 0.00 2.00 0.00 0.00 58.73 60.81 3i94 h TYR 1133Cb 0.80 -0.18 -0.07 0.00 2.00 0.00 0.00 36.73 39.29 3i94 h TYR 1133CO 0.05 0.69 0.27 1.96 -0.00 0.00 0.00 178.16 181.13 3i94 h GLN 1134N 0.44 0.45 -0.02 4.88 4.20 -0.80 0.14 115.11 124.40 3i94 h GLN 1134Ca 0.11 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3i94 h GLN 1134Cb 0.41 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3i94 h GLN 1134CO 0.01 0.30 0.01 0.87 -0.67 0.00 0.00 178.83 179.35 3i94 h LYS 1135N 0.47 0.04 -0.44 1.46 1.57 -1.24 -1.55 116.57 116.87 3i94 h LYS 1135Ca 0.32 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.98 3i94 h LYS 1135Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3i94 h LYS 1135CO -0.29 0.22 -0.15 0.77 -0.57 0.00 0.00 179.45 179.43 3i94 h SER 1136N -0.16 0.83 -0.53 0.86 0.02 -1.07 -2.59 113.55 110.92 3i94 h SER 1136Ca 0.01 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.58 3i94 h SER 1136Cb 0.20 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3i94 h SER 1136CO -0.00 0.99 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.51 3i94 h LEU 1137N 0.74 1.00 -1.53 5.07 3.38 -0.92 -2.67 115.31 120.37 3i94 h LEU 1137Ca 0.12 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3i94 h LEU 1137Cb 0.66 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3i94 h LEU 1137CO 0.05 1.11 0.09 0.00 0.09 0.00 0.00 178.44 179.78 3i94 h ALA 1138N 0.92 1.64 0.00 1.53 0.00 -1.08 -1.69 119.26 120.57 3i94 h ALA 1138Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i94 h ALA 1138Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3i94 h ALA 1138CO 0.05 0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.97 3i94 n GLU 1139N -4.40 0.18 0.12 0.00 1.02 -0.99 -1.54 120.64 115.03 3i94 n GLU 1139Ca 0.01 0.49 0.12 0.00 -0.02 0.00 0.00 57.16 57.76 3i94 n GLU 1139Cb 0.14 -1.90 0.46 0.00 -0.02 0.00 0.00 31.44 30.12 3i94 n GLU 1139CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i94 n LEU 1140N -2.25 0.75 -0.02 -4.62 4.77 -0.64 -5.02 117.00 109.97 3i94 n LEU 1140Ca 0.01 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 3i94 n LEU 1140Cb 0.18 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3i94 n LEU 1140CO 0.17 -0.41 -0.01 0.61 -1.33 0.00 0.00 177.39 176.42 3i94 n GLY 1141N 0.54 -2.56 3.58 -0.72 0.00 -0.59 -4.81 105.19 100.64 3i94 n GLY 1141Ca 0.04 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 3i94 n GLY 1141CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i94 s GLN 1142N -2.91 3.64 0.55 1.61 1.11 -1.26 -5.00 119.66 117.41 3i94 s GLN 1142Ca 0.00 0.37 -0.19 0.00 0.01 0.00 0.00 55.36 55.56 3i94 s GLN 1142Cb 0.00 -3.91 -0.05 0.00 -1.01 0.00 0.00 33.01 28.04 3i94 s GLN 1142CO 0.00 -1.28 1.10 -1.25 0.01 0.00 0.00 175.29 173.87 3i94 s PRO 1143N 4.06 3.36 -0.22 2.91 0.04 -1.26 -5.01 135.00 138.89 3i94 s PRO 1143Ca 0.42 1.50 -0.08 0.00 0.04 0.00 0.00 61.00 62.89 3i94 s PRO 1143Cb -0.09 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3i94 s PRO 1143CO 0.28 -0.82 0.09 -1.83 0.04 0.00 0.00 177.00 174.75 3i94 s GLU 1144N -3.45 3.89 -0.03 4.56 -1.05 -1.26 -5.06 118.70 116.30 3i94 s GLU 1144Ca 0.70 -0.37 0.02 0.00 -0.15 0.00 0.00 54.97 55.16 3i94 s GLU 1144Cb -0.21 -3.32 0.01 0.00 -0.44 0.00 0.00 34.13 30.17 3i94 s GLU 1144CO 0.28 0.08 -0.06 -0.06 0.95 0.00 0.00 175.26 176.45 3i94 s PHE 1145N 0.93 0.75 0.13 4.83 0.40 -1.26 -5.02 117.98 118.74 3i94 s PHE 1145Ca 0.05 -0.19 0.13 0.00 -0.60 0.00 0.00 56.93 56.31 3i94 s PHE 1145Cb -0.14 -0.61 0.25 0.00 0.51 0.00 0.00 43.02 43.03 3i94 s PHE 1145CO 0.03 -0.14 1.53 0.93 0.70 0.00 0.00 175.22 178.27 3i94 h GLU 1146N 6.80 0.00 -2.47 0.44 5.08 -1.97 -3.38 114.58 119.09 3i94 h GLU 1146Ca -0.36 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.40 3i94 h GLU 1146Cb 1.16 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.00 3i94 h GLU 1146CO 0.48 0.63 -0.73 1.04 -1.00 0.00 0.00 179.01 179.43 3i94 n GLN 1147N -3.51 1.67 -2.50 2.33 6.02 -1.26 -5.09 117.38 115.04 3i94 n GLN 1147Ca -0.00 -4.16 -0.34 0.00 -0.01 0.00 0.00 57.00 52.49 3i94 n GLN 1147Cb 0.69 -2.01 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 3i94 n GLN 1147CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i94 s GLN 1148N -1.58 3.74 -0.00 -1.09 -1.52 -1.26 -1.32 119.66 116.63 3i94 s GLN 1148Ca 0.33 1.40 0.08 0.00 -1.95 0.00 0.00 55.36 55.23 3i94 s GLN 1148Cb 0.08 -2.09 -0.02 0.00 -0.22 0.00 0.00 33.01 30.76 3i94 s GLN 1148CO -0.11 -0.49 -0.25 1.03 -0.25 0.00 0.00 175.29 175.23 3i94 s ARG 1149N -3.23 1.91 0.02 2.91 0.52 -0.12 -4.86 118.95 116.10 3i94 s ARG 1149Ca 0.68 -0.92 -0.25 0.00 -0.52 0.00 0.00 55.73 54.72 3i94 s ARG 1149Cb -0.18 -1.90 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 3i94 s ARG 1149CO 0.21 0.51 0.78 -2.00 0.02 0.00 0.00 175.30 174.82 3i94 s GLU 1150N -0.74 4.50 0.52 3.54 2.12 -1.26 -4.70 118.70 122.68 3i94 s GLU 1150Ca 0.10 1.08 -0.21 0.00 0.36 0.00 0.00 54.97 56.29 3i94 s GLU 1150Cb -0.09 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 3i94 s GLU 1150CO -0.00 0.20 1.24 -0.51 -0.54 0.00 0.00 175.26 175.65 3i94 s LEU 1151N 0.23 3.87 0.96 2.70 1.43 -1.26 -5.01 118.68 121.60 3i94 s LEU 1151Ca 0.40 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.85 3i94 s LEU 1151Cb -0.20 -4.35 0.17 0.00 0.03 0.00 0.00 46.19 41.84 3i94 s LEU 1151CO 0.23 -1.30 1.09 -2.16 0.23 0.00 0.00 176.35 174.43 3i94 s PRO 1152N -2.94 0.70 0.33 1.29 0.04 -1.26 -4.87 135.00 128.29 3i94 s PRO 1152Ca 0.70 0.76 0.05 0.00 0.04 0.00 0.00 61.00 62.55 3i94 s PRO 1152Cb -0.33 -1.75 0.67 0.00 0.04 0.00 0.00 34.50 33.14 3i94 s PRO 1152CO 0.38 -2.61 1.88 -1.35 0.04 0.00 0.00 177.00 175.34 3i94 h PRO 1153N -1.81 0.83 0.00 0.56 0.11 -2.02 0.11 132.00 129.78 3i94 h PRO 1153Ca -0.52 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3i94 h PRO 1153Cb 1.30 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i94 h PRO 1153CO 0.54 0.55 0.00 0.11 -0.21 0.00 0.00 178.00 178.99 3i94 h TRP 1154N 0.86 0.00 0.00 0.65 5.08 -1.91 -2.38 115.95 118.24 3i94 h TRP 1154Ca 0.43 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.40 3i94 h TRP 1154Cb 0.48 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 3i94 h TRP 1154CO -0.00 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.57 3i94 n GLY 1155N -0.84 -0.62 0.33 11.11 0.00 0.03 -3.37 105.19 111.83 3i94 n GLY 1155Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.19 3i94 n GLY 1155CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i94 h GLU 1156N 0.02 0.00 0.00 1.61 -0.00 -1.59 -1.91 114.58 112.70 3i94 h GLU 1156Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3i94 h GLU 1156Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.77 3i94 h GLU 1156CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 179.01 178.17 3i94 h ILE 1157N 0.00 0.00 -3.85 -1.06 3.07 -1.86 -3.45 117.51 110.36 3i94 h ILE 1157Ca 0.03 -0.25 -0.48 0.00 1.55 0.00 0.00 64.86 65.70 3i94 h ILE 1157Cb 0.26 1.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.00 3i94 h ILE 1157CO -0.00 0.00 0.19 -0.36 -1.05 0.00 0.00 178.15 176.93 3i94 s PHE 1158N -3.83 3.40 0.99 0.16 0.40 -0.72 -4.22 117.98 114.15 3i94 s PHE 1158Ca -0.01 1.28 -0.13 0.00 -0.60 0.00 0.00 56.93 57.47 3i94 s PHE 1158Cb 0.10 -2.61 0.18 0.00 0.51 0.00 0.00 43.02 41.21 3i94 s PHE 1158CO 0.46 -0.07 1.13 -1.54 0.70 0.00 0.00 175.22 175.90 3i94 s SER 1159N -2.61 2.81 0.28 1.36 1.04 -1.26 -4.93 113.70 110.40 3i94 s SER 1159Ca 0.56 0.94 0.22 0.00 0.48 0.00 0.00 55.95 58.15 3i94 s SER 1159Cb -0.10 -1.47 1.05 0.00 0.10 0.00 0.00 66.02 65.60 3i94 s SER 1159CO 0.22 -2.98 1.67 -1.84 0.98 0.00 0.00 173.24 171.29 3i94 n GLU 1160N -4.05 0.16 -0.07 4.02 0.00 -1.26 -1.82 120.64 117.62 3i94 n GLU 1160Ca 0.07 0.53 0.12 0.00 0.00 0.00 0.00 57.16 57.88 3i94 n GLU 1160Cb 0.59 -1.91 0.33 0.00 0.00 0.00 0.00 31.44 30.45 3i94 n GLU 1160CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3i94 n TYR 1161N -2.23 0.19 -1.79 -1.84 4.02 -1.26 -4.97 117.16 109.28 3i94 n TYR 1161Ca 0.00 -0.10 -0.41 0.00 -0.01 0.00 0.00 57.90 57.39 3i94 n TYR 1161Cb 0.13 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.44 3i94 n TYR 1161CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i94 s LEU 1163N -1.48 4.09 -0.27 0.00 1.43 -0.08 -4.97 118.68 117.40 3i94 s LEU 1163Ca 0.57 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.94 3i94 s LEU 1163Cb -0.47 -2.00 0.13 0.00 0.03 0.00 0.00 46.19 43.88 3i94 s LEU 1163CO 0.57 0.31 0.31 0.12 0.23 0.00 0.00 176.35 177.90 3i94 s PHE 1164N -0.46 -0.56 0.15 0.29 5.99 -1.25 -1.71 117.98 120.43 3i94 s PHE 1164Ca 0.11 0.07 0.01 0.00 0.00 0.00 0.00 56.93 57.12 3i94 s PHE 1164Cb -0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 43.02 42.51 3i94 s PHE 1164CO 0.02 -0.86 0.02 0.96 -0.00 0.00 0.00 175.22 175.35 3i94 s ILE 1165N 2.40 0.44 -0.34 3.12 -4.36 -0.51 -0.94 121.20 121.01 3i94 s ILE 1165Ca 0.09 -1.94 -0.10 0.00 -0.26 0.00 0.00 60.65 58.44 3i94 s ILE 1165Cb -0.14 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.54 3i94 s ILE 1165CO -0.28 -0.52 0.18 -0.60 0.24 0.00 0.00 174.94 173.97 3i94 s ARG 1166N -3.96 3.06 0.38 0.37 3.52 -0.43 -0.84 118.95 121.05 3i94 s ARG 1166Ca 0.23 -0.91 -0.28 0.00 -0.13 0.00 0.00 55.73 54.63 3i94 s ARG 1166Cb 0.07 -3.65 -0.11 0.00 -1.56 0.00 0.00 34.95 29.69 3i94 s ARG 1166CO 0.02 -0.57 1.47 -2.30 -0.81 0.00 0.00 175.30 173.12 3i94 n PRO 1167N 4.99 2.64 0.06 5.12 -0.02 -1.26 -4.34 135.00 142.18 3i94 n PRO 1167Ca -0.13 0.92 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 3i94 n PRO 1167Cb 0.47 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 3i94 n PRO 1167CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i94 n SER 1168N 0.47 0.51 -3.58 2.55 3.41 -1.26 -4.90 113.62 110.82 3i94 n SER 1168Ca 0.01 0.17 -0.03 0.00 -0.26 0.00 0.00 58.87 58.76 3i94 n SER 1168Cb 0.39 1.06 -0.00 0.00 -0.26 0.00 0.00 64.21 65.39 3i94 n SER 1168CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i94 s ASN 1169N -4.94 -0.10 0.33 4.04 2.20 -1.26 -5.02 114.94 110.19 3i94 s ASN 1169Ca -0.03 -0.51 0.02 0.00 -0.94 0.00 0.00 52.86 51.39 3i94 s ASN 1169Cb 0.12 0.49 0.58 0.00 -2.00 0.00 0.00 41.25 40.43 3i94 s ASN 1169CO 0.84 -0.93 1.96 0.58 -2.94 0.00 0.00 177.10 176.61 3i94 h VAL 1170N 2.00 1.18 -0.67 3.54 2.07 -1.99 -1.28 116.25 121.10 3i94 h VAL 1170Ca -0.26 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 66.86 3i94 h VAL 1170Cb 1.22 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3i94 h VAL 1170CO 0.30 0.20 0.40 0.74 0.02 0.00 0.00 177.57 179.23 3i94 h THR 1171N 0.83 1.05 -0.43 2.57 2.02 -1.99 -0.58 112.91 116.37 3i94 h THR 1171Ca 0.21 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 3i94 h THR 1171Cb 0.01 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3i94 h THR 1171CO -0.04 0.14 -0.20 -0.33 0.37 0.00 0.00 175.52 175.47 3i94 h GLU 1172N 0.77 0.85 -0.48 6.66 5.08 -1.79 -0.66 114.58 125.01 3i94 h GLU 1172Ca 0.28 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3i94 h GLU 1172Cb 0.08 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3i94 h GLU 1172CO -0.13 0.97 0.21 0.93 -1.00 0.00 0.00 179.01 180.00 3i94 h GLU 1173N 0.74 0.41 -0.43 2.33 5.08 -0.73 -0.10 114.58 121.88 3i94 h GLU 1173Ca 0.10 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3i94 h GLU 1173Cb 0.73 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3i94 h GLU 1173CO 0.06 0.27 -0.19 0.93 -1.00 0.00 0.00 179.01 179.08 3i94 h GLU 1174N 0.42 0.84 -0.45 2.33 5.08 -0.93 -1.26 114.58 120.61 3i94 h GLU 1174Ca 0.22 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3i94 h GLU 1174Cb 0.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3i94 h GLU 1174CO -0.18 0.96 0.13 -0.09 -1.00 0.00 0.00 179.01 178.83 3i94 h ARG 1175N 0.73 0.70 0.19 2.33 2.43 -0.76 -0.40 114.38 119.61 3i94 h ARG 1175Ca 0.11 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3i94 h ARG 1175Cb 0.71 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3i94 h ARG 1175CO 0.05 0.68 -0.16 0.35 -1.51 0.00 0.00 179.97 179.39 3i94 h PHE 1176N 0.59 -0.41 -0.68 2.20 3.04 -0.79 -1.21 116.94 119.67 3i94 h PHE 1176Ca 0.14 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.15 3i94 h PHE 1176Cb 0.28 0.16 -0.06 0.00 2.56 0.00 0.00 35.95 38.89 3i94 h PHE 1176CO 0.01 -0.24 0.38 0.28 -2.02 0.00 0.00 178.31 176.73 3i94 h VAL 1177N -0.36 0.97 -0.32 1.41 2.07 -1.04 -1.30 116.25 117.68 3i94 h VAL 1177Ca -0.01 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 3i94 h VAL 1177Cb 0.33 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3i94 h VAL 1177CO -0.02 0.13 -0.03 -0.61 0.02 0.00 0.00 177.57 177.06 3i94 h GLN 1178N 0.70 0.51 -0.42 1.57 5.75 -0.87 -0.63 115.11 121.72 3i94 h GLN 1178Ca 0.31 -0.12 -0.11 0.00 -0.15 0.00 0.00 58.65 58.58 3i94 h GLN 1178Cb 0.19 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3i94 h GLN 1178CO -0.19 0.56 -0.19 -0.09 -2.65 0.00 0.00 178.83 176.28 3i94 h ARG 1179N 0.49 0.82 -0.62 1.69 2.43 -0.42 -0.26 114.38 118.50 3i94 h ARG 1179Ca 0.10 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 3i94 h ARG 1179Cb 0.36 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3i94 h ARG 1179CO 0.01 0.94 0.22 0.28 -1.51 0.00 0.00 179.97 179.92 3i94 h VAL 1180N 0.72 1.24 -0.60 0.20 2.07 -0.64 0.68 116.25 119.92 3i94 h VAL 1180Ca 0.10 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 66.91 3i94 h VAL 1180Cb 0.71 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3i94 h VAL 1180CO 0.05 0.30 0.30 0.58 0.02 0.00 0.00 177.57 178.82 3i94 h VAL 1181N 0.87 0.91 -0.46 2.57 2.07 -0.80 -0.64 116.25 120.77 3i94 h VAL 1181Ca 0.20 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3i94 h VAL 1181Cb 0.25 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3i94 h VAL 1181CO -0.01 0.10 0.14 0.44 0.02 0.00 0.00 177.57 178.26 3i94 h ASP 1182N 0.55 0.68 -0.48 0.57 3.32 -0.59 -0.86 116.42 119.62 3i94 h ASP 1182Ca 0.28 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.17 3i94 h ASP 1182Cb 0.23 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 3i94 h ASP 1182CO -0.21 0.71 0.20 -0.26 -1.72 0.00 0.00 179.24 177.96 3i94 h PHE 1183N 0.61 0.36 -0.73 4.55 -1.00 -0.39 -1.36 116.94 118.97 3i94 h PHE 1183Ca 0.15 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.91 3i94 h PHE 1183Cb 0.28 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 3i94 h PHE 1183CO 0.01 0.15 0.31 -0.07 -1.61 0.00 0.00 178.31 177.11 3i94 h LEU 1184N 0.40 1.00 -0.43 1.54 3.38 -0.83 -0.68 115.31 119.69 3i94 h LEU 1184Ca 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3i94 h LEU 1184Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3i94 h LEU 1184CO -0.19 0.88 0.12 -0.61 0.09 0.00 0.00 178.44 178.73 3i94 h GLN 1185N 1.05 0.68 -0.31 1.13 4.15 -0.84 0.20 115.11 121.16 3i94 h GLN 1185Ca 0.25 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.52 3i94 h GLN 1185Cb 0.18 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3i94 h GLN 1185CO -0.02 0.68 0.19 0.82 -1.93 0.00 0.00 178.83 178.57 3i94 h ILE 1186N 0.55 1.05 -0.16 2.39 2.04 -1.09 -2.10 117.51 120.19 3i94 h ILE 1186Ca 0.14 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3i94 h ILE 1186Cb 0.30 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3i94 h ILE 1186CO -0.00 0.07 0.04 -0.74 0.00 0.00 0.00 178.15 177.53 3i94 h HIS 1187N 0.39 0.27 -0.90 1.37 2.76 -0.89 0.11 115.15 118.26 3i94 h HIS 1187Ca 0.12 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3i94 h HIS 1187Cb -0.02 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 3i94 h HIS 1187CO -0.07 0.38 0.52 0.00 -1.30 0.00 0.00 177.93 177.46 3i94 h HIS 1189N 1.26 0.39 -0.11 0.00 6.17 -1.06 -2.93 115.15 118.87 3i94 h HIS 1189Ca 0.32 -0.06 -0.03 0.00 0.71 0.00 0.00 60.37 61.31 3i94 h HIS 1189Cb -0.01 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 3i94 h HIS 1189CO 0.01 0.53 -0.06 1.96 0.71 0.00 0.00 177.93 181.08 3i94 h GLN 1190N 0.14 0.16 0.00 5.26 1.08 -0.55 -1.49 115.11 119.72 3i94 h GLN 1190Ca 0.06 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3i94 h GLN 1190Cb 0.36 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3i94 h GLN 1190CO 0.01 0.24 -0.10 0.66 -0.95 0.00 0.00 178.83 178.69 3i94 h SER 1191N 0.16 0.00 0.13 1.46 4.64 -0.93 -1.34 113.55 117.67 3i94 h SER 1191Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i94 h SER 1191Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3i94 h SER 1191CO 0.01 0.10 -0.15 2.30 -0.87 0.00 0.00 176.83 178.22 3i94 n ILE 1192N -4.00 0.00 -0.46 0.95 -5.35 -0.57 -2.69 119.36 107.24 3i94 n ILE 1192Ca -0.02 -0.18 0.08 0.00 -0.27 0.00 0.00 62.75 62.35 3i94 n ILE 1192Cb 0.19 0.45 0.24 0.00 -1.74 0.00 0.00 39.64 38.77 3i94 n ILE 1192CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3i94 n VAL 1193N -0.30 1.45 -2.30 7.28 0.24 -0.52 -4.94 118.33 119.24 3i94 n VAL 1193Ca 0.15 -1.23 -0.41 0.00 -2.04 0.00 0.00 64.34 60.82 3i94 n VAL 1193Cb 0.35 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 3i94 n VAL 1193CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i94 s ALA 1194N -1.56 3.46 0.34 2.33 0.00 -1.09 -5.04 121.76 120.19 3i94 s ALA 1194Ca 0.36 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.48 3i94 s ALA 1194Cb 0.22 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 3i94 s ALA 1194CO 0.18 -0.41 -0.09 -1.83 0.00 0.00 0.00 175.76 173.61 3i94 s GLU 1195N -1.36 1.85 0.30 0.00 -1.05 -1.26 -5.05 118.70 112.13 3i94 s GLU 1195Ca 0.48 -1.89 -0.29 0.00 -0.15 0.00 0.00 54.97 53.11 3i94 s GLU 1195Cb -0.36 -1.74 -0.12 0.00 -0.44 0.00 0.00 34.13 31.47 3i94 s GLU 1195CO 0.45 0.16 1.43 -2.30 0.95 0.00 0.00 175.26 175.95 3i94 n PRO 1196N -0.80 2.32 -2.84 -4.83 -0.02 -1.26 -4.45 135.00 123.12 3i94 n PRO 1196Ca -0.05 0.82 -0.21 0.00 -2.02 0.00 0.00 63.50 62.04 3i94 n PRO 1196Cb 0.63 -2.50 0.07 0.00 -0.02 0.00 0.00 33.50 31.68 3i94 n PRO 1196CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i94 s LEU 1197N -0.68 3.12 0.91 2.45 1.43 0.18 -5.00 118.68 121.09 3i94 s LEU 1197Ca 0.61 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 3i94 s LEU 1197Cb -0.56 -1.95 0.14 0.00 0.03 0.00 0.00 46.19 43.85 3i94 s LEU 1197CO 0.55 -1.46 1.09 -0.94 0.23 0.00 0.00 176.35 175.82 3i94 s SER 1198N -4.64 3.33 0.25 2.29 1.04 -1.26 -4.73 113.70 109.97 3i94 s SER 1198Ca 0.62 1.43 -0.04 0.00 0.48 0.00 0.00 55.95 58.45 3i94 s SER 1198Cb -0.06 -2.11 0.29 0.00 0.10 0.00 0.00 66.02 64.23 3i94 s SER 1198CO 0.40 -2.72 1.76 -0.33 0.98 0.00 0.00 173.24 173.34 3i94 h GLU 1199N -1.60 0.91 -0.54 4.02 5.08 -1.99 0.16 114.58 120.61 3i94 h GLU 1199Ca -0.50 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 57.55 3i94 h GLU 1199Cb 1.29 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3i94 h GLU 1199CO 0.55 0.85 -0.00 0.00 -1.00 0.00 0.00 179.01 179.41 3i94 h ALA 1200N 1.23 0.73 -0.60 3.43 0.00 -2.00 -1.44 119.26 120.62 3i94 h ALA 1200Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3i94 h ALA 1200Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i94 h ALA 1200CO 0.01 0.56 0.02 1.96 0.00 0.00 0.00 179.25 181.79 3i94 h GLN 1201N 0.84 1.05 -0.71 0.00 4.20 -1.85 -1.54 115.11 117.10 3i94 h GLN 1201Ca 0.15 -0.33 0.05 0.00 0.06 0.00 0.00 58.65 58.58 3i94 h GLN 1201Cb 0.54 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 3i94 h GLN 1201CO 0.03 1.02 0.43 1.15 -0.67 0.00 0.00 178.83 180.79 3i94 h THR 1202N 0.95 1.03 -0.49 -0.54 2.02 -0.49 -0.89 112.91 114.50 3i94 h THR 1202Ca 0.17 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 3i94 h THR 1202Cb 0.54 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3i94 h THR 1202CO 0.03 0.15 0.16 0.25 0.37 0.00 0.00 175.52 176.47 3i94 h LEU 1203N 0.81 0.71 -0.39 2.58 5.85 -1.07 0.21 115.31 124.01 3i94 h LEU 1203Ca 0.30 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3i94 h LEU 1203Cb 0.11 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 3i94 h LEU 1203CO -0.15 0.72 0.03 -0.08 -0.34 0.00 0.00 178.44 178.62 3i94 h GLU 1204N 0.66 0.14 -0.54 1.25 4.81 -0.77 -1.68 114.58 118.45 3i94 h GLU 1204Ca 0.16 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3i94 h GLU 1204Cb 0.26 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3i94 h GLU 1204CO -0.01 0.09 0.06 0.45 -0.73 0.00 0.00 179.01 178.87 3i94 h HIS 1205N 0.15 0.92 -0.53 0.92 3.86 -0.80 -1.81 115.15 117.86 3i94 h HIS 1205Ca 0.19 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3i94 h HIS 1205Cb 0.25 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 3i94 h HIS 1205CO -0.23 0.81 0.32 -0.09 0.86 0.00 0.00 177.93 179.60 3i94 h ARG 1206N 0.82 0.62 -0.84 2.45 2.43 -0.68 -1.93 114.38 117.26 3i94 h ARG 1206Ca 0.17 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3i94 h ARG 1206Cb 0.41 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3i94 h ARG 1206CO 0.01 0.41 0.43 1.96 -1.51 0.00 0.00 179.97 181.28 3i94 h GLN 1207N 0.64 1.19 -0.73 0.20 4.20 -0.86 -0.74 115.11 119.00 3i94 h GLN 1207Ca 0.21 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3i94 h GLN 1207Cb 0.01 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 3i94 h GLN 1207CO -0.09 0.89 0.38 0.78 -0.67 0.00 0.00 178.83 180.13 3i94 h GLY 1208N 1.20 1.10 1.27 3.46 0.00 -0.88 -0.66 103.07 108.56 3i94 h GLY 1208Ca 0.29 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 3i94 h GLY 1208CO -0.04 0.48 -0.46 -1.61 0.00 0.00 0.00 176.54 174.91 3i94 h GLN 1209N 1.03 0.79 -0.20 4.80 4.15 -0.71 -1.35 115.11 123.62 3i94 h GLN 1209Ca 0.26 -0.45 0.02 0.00 0.77 0.00 0.00 58.65 59.25 3i94 h GLN 1209Cb 0.05 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3i94 h GLN 1209CO -0.04 1.08 0.07 0.82 -1.93 0.00 0.00 178.83 178.83 3i94 h ILE 1210N 0.63 0.96 -0.76 2.39 2.04 -0.88 -1.78 117.51 120.10 3i94 h ILE 1210Ca 0.04 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3i94 h ILE 1210Cb 1.03 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3i94 h ILE 1210CO 0.10 0.03 0.39 -0.74 0.00 0.00 0.00 178.15 177.93 3i94 h HIS 1211N 0.16 1.08 -0.24 1.37 2.76 -1.02 -0.82 115.15 118.44 3i94 h HIS 1211Ca 0.08 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3i94 h HIS 1211Cb 0.05 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.63 3i94 h HIS 1211CO -0.11 0.77 -0.02 -0.92 -1.30 0.00 0.00 177.93 176.35 3i94 h TYR 1212N 1.07 -0.05 -0.64 5.26 3.20 -1.02 -0.89 116.97 123.91 3i94 h TYR 1212Ca 0.27 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 3i94 h TYR 1212Cb 0.08 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3i94 h TYR 1212CO 0.01 -0.06 0.14 0.00 -1.64 0.00 0.00 178.16 176.61 3i94 h GLN 1214N 0.95 1.26 -0.21 0.00 4.20 -0.82 -1.98 115.11 118.51 3i94 h GLN 1214Ca 0.20 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 3i94 h GLN 1214Cb 0.38 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3i94 h GLN 1214CO 0.00 0.91 -0.41 1.96 -0.67 0.00 0.00 178.83 180.63 3i94 h GLN 1215N 1.27 0.65 -0.59 1.46 1.08 -0.94 -3.07 115.11 114.96 3i94 h GLN 1215Ca 0.32 -0.42 0.07 0.00 -1.45 0.00 0.00 58.65 57.17 3i94 h GLN 1215Cb 0.01 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 3i94 h GLN 1215CO -0.05 1.04 0.39 1.96 -0.95 0.00 0.00 178.83 181.22 3i94 h GLN 1216N 0.35 0.51 0.00 1.46 1.08 -0.98 -0.35 115.11 117.18 3i94 h GLN 1216Ca 0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3i94 h GLN 1216Cb 1.01 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3i94 h GLN 1216CO 0.09 0.34 0.00 1.04 -0.95 0.00 0.00 178.83 179.35 3i94 n GLN 1217N -4.48 0.13 0.00 1.46 6.02 -0.76 -2.08 117.38 117.67 3i94 n GLN 1217Ca 0.09 0.48 0.16 0.00 -0.01 0.00 0.00 57.00 57.72 3i94 n GLN 1217Cb 0.27 -1.81 0.89 0.00 1.02 0.00 0.00 30.24 30.62 3i94 n GLN 1217CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i94 n LYS 1218N -2.06 0.87 -2.36 -1.09 5.02 -0.14 -4.78 118.16 113.61 3i94 n LYS 1218Ca 0.01 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 3i94 n LYS 1218Cb 0.13 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3i94 n LYS 1218CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3i94 s ASN 1219N -2.14 5.93 0.22 4.39 3.04 -0.88 -4.84 114.94 120.66 3i94 s ASN 1219Ca 0.43 0.03 0.25 0.00 0.04 0.00 0.00 52.86 53.61 3i94 s ASN 1219Cb 0.22 -2.55 0.88 0.00 -1.54 0.00 0.00 41.25 38.26 3i94 s ASN 1219CO 0.39 -1.92 1.76 -0.90 -3.04 0.00 0.00 177.10 173.39 3i94 n ASP 1220N 10.26 0.73 -0.05 -4.21 3.85 -1.26 -2.14 116.55 123.73 3i94 n ASP 1220Ca 0.11 0.60 -0.12 0.00 -0.71 0.00 0.00 54.79 54.67 3i94 n ASP 1220Cb 0.50 -0.79 -0.07 0.00 -1.35 0.00 0.00 41.12 39.42 3i94 n ASP 1220CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3i94 h LYS 1221N 0.00 0.27 -0.18 0.11 1.79 -1.99 -0.91 116.57 115.66 3i94 h LYS 1221Ca 0.00 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 3i94 h LYS 1221Cb 0.60 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 3i94 h LYS 1221CO 0.00 0.57 0.09 1.15 -1.08 0.00 0.00 179.45 180.18 3i94 h THR 1222N -0.04 1.13 -0.74 -0.16 2.02 -1.95 -2.96 112.91 110.21 3i94 h THR 1222Ca 0.03 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.88 3i94 h THR 1222Cb 0.47 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3i94 h THR 1222CO 0.02 0.12 0.47 -0.09 0.37 0.00 0.00 175.52 176.40 3i94 h ARG 1223N 0.17 0.89 -0.68 6.66 2.43 -1.35 -2.10 114.38 120.39 3i94 h ARG 1223Ca 0.06 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3i94 h ARG 1223Cb 0.11 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3i94 h ARG 1223CO -0.01 0.59 0.13 -0.09 -1.51 0.00 0.00 179.97 179.09 3i94 h ARG 1224N 0.92 1.11 -0.40 0.20 2.43 -1.14 0.13 114.38 117.64 3i94 h ARG 1224Ca 0.29 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3i94 h ARG 1224Cb 0.00 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3i94 h ARG 1224CO -0.11 1.00 0.21 0.28 -1.51 0.00 0.00 179.97 179.85 3i94 h VAL 1225N 1.04 1.01 -0.45 0.20 2.07 -1.26 -0.15 116.25 118.71 3i94 h VAL 1225Ca 0.21 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 3i94 h VAL 1225Cb 0.41 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3i94 h VAL 1225CO 0.01 0.08 0.13 -0.07 0.02 0.00 0.00 177.57 177.74 3i94 h LEU 1226N 0.43 0.66 -0.85 2.57 3.38 -1.02 -3.04 115.31 117.45 3i94 h LEU 1226Ca 0.16 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3i94 h LEU 1226Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3i94 h LEU 1226CO -0.10 0.70 0.03 -0.33 0.09 0.00 0.00 178.44 178.83 3i94 h GLU 1227N 0.59 0.89 0.00 1.13 5.08 -0.41 -0.59 114.58 121.27 3i94 h GLU 1227Ca 0.14 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3i94 h GLU 1227Cb 0.28 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3i94 h GLU 1227CO -0.00 0.87 -0.17 0.87 -1.00 0.00 0.00 179.01 179.58 3i94 h LYS 1228N 0.83 0.00 0.00 2.33 1.57 -0.92 0.43 116.57 120.82 3i94 h LYS 1228Ca 0.16 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.63 3i94 h LYS 1228Cb 0.45 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 3i94 h LYS 1228CO 0.02 0.17 -2.11 0.00 -0.57 0.00 0.00 179.45 176.96 3i94 n ALA 1229N -2.31 1.60 0.00 3.86 0.00 -1.05 -4.00 120.51 118.61 3i94 n ALA 1229Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.35 3i94 n ALA 1229Cb 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3i94 n ALA 1229CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i94 n PHE 1230N -2.82 0.00 0.00 0.00 3.01 -0.26 -2.49 117.46 114.90 3i94 n PHE 1230Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.21 3i94 n PHE 1230Cb 1.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.55 3i94 n PHE 1230CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i94 n GLY 1231N 1.00 0.84 0.12 1.37 0.00 0.13 -4.45 105.19 104.21 3i94 n GLY 1231Ca 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 3i94 n GLY 1231CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i94 h GLU 1232N 0.00 0.31 -0.35 1.61 3.07 -1.92 -1.38 114.58 115.92 3i94 h GLU 1232Ca 0.00 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 3i94 h GLU 1232Cb 0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 3i94 h GLU 1232CO 0.00 0.26 0.07 0.00 -1.40 0.00 0.00 179.01 177.94 3i94 h ALA 1233N 1.03 0.47 -0.55 3.43 0.00 -1.99 -0.80 119.26 120.85 3i94 h ALA 1233Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3i94 h ALA 1233Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3i94 h ALA 1233CO -0.01 0.16 0.28 2.35 0.00 0.00 0.00 179.25 182.03 3i94 h TRP 1234N 0.42 0.77 -0.75 0.00 7.01 -1.76 -1.69 115.95 119.95 3i94 h TRP 1234Ca 0.11 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 3i94 h TRP 1234Cb 0.34 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.12 3i94 h TRP 1234CO 0.02 0.58 0.26 0.00 -2.79 0.00 0.00 178.44 176.51 3i94 h ALA 1235N 1.12 1.03 -0.49 2.65 0.00 -0.95 0.65 119.26 123.27 3i94 h ALA 1235Ca 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3i94 h ALA 1235Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3i94 h ALA 1235CO -0.03 0.66 0.14 1.49 0.00 0.00 0.00 179.25 181.52 3i94 h GLU 1236N 1.11 0.76 -0.63 0.00 4.57 -0.92 -0.08 114.58 119.39 3i94 h GLU 1236Ca 0.25 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3i94 h GLU 1236Cb 0.27 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 3i94 h GLU 1236CO -0.01 0.72 0.34 -0.09 -1.18 0.00 0.00 179.01 178.79 3i94 h ARG 1237N 0.65 0.88 -0.07 1.92 2.43 -0.96 -1.73 114.38 117.50 3i94 h ARG 1237Ca 0.16 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3i94 h ARG 1237Cb 0.29 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3i94 h ARG 1237CO -0.00 0.67 0.02 -0.92 -1.51 0.00 0.00 179.97 178.22 3i94 h TYR 1238N 0.86 0.12 -0.71 2.20 3.20 -0.57 0.84 116.97 122.92 3i94 h TYR 1238Ca 0.22 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3i94 h TYR 1238Cb 0.05 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3i94 h TYR 1238CO -0.01 0.31 0.20 0.52 -1.64 0.00 0.00 178.16 177.54 3i94 h MET 1239N -0.10 1.10 0.00 1.82 2.86 -0.99 0.14 114.93 119.76 3i94 h MET 1239Ca 0.02 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3i94 h MET 1239Cb 0.25 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3i94 h MET 1239CO 0.00 0.95 -0.77 0.66 1.06 0.00 0.00 176.91 178.81 3i94 h SER 1240N 1.06 0.00 0.00 1.22 4.64 -1.20 -0.94 113.55 118.32 3i94 h SER 1240Ca 0.23 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 3i94 h SER 1240Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3i94 h SER 1240CO -0.00 0.01 -1.32 0.00 -0.87 0.00 0.00 176.83 174.65 3i94 n GLN 1241N -2.70 2.04 -0.13 4.77 6.02 0.28 -3.72 117.38 123.93 3i94 n GLN 1241Ca 0.01 0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.75 3i94 n GLN 1241Cb 0.53 -1.12 -0.09 0.00 1.02 0.00 0.00 30.24 30.59 3i94 n GLN 1241CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i94 n VAL 1242N -2.36 1.53 -0.06 5.09 0.31 -0.13 -4.59 118.33 118.12 3i94 n VAL 1242Ca -0.08 -0.30 -0.06 0.00 -0.01 0.00 0.00 64.34 63.89 3i94 n VAL 1242Cb 0.63 -1.95 -0.05 0.00 -0.91 0.00 0.00 33.84 31.56 3i94 n VAL 1242CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i94 h LEU 1243N -1.00 0.00 -5.86 7.52 3.38 -1.23 -3.42 115.31 114.70 3i94 h LEU 1243Ca -0.60 -0.35 -0.57 0.00 0.09 0.00 0.00 57.88 56.45 3i94 h LEU 1243Cb 1.52 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.86 3i94 h LEU 1243CO -0.36 0.71 -0.82 0.49 0.09 0.00 0.00 178.44 178.55 3i94 n PHE 1244N -4.70 2.33 -2.22 1.13 3.01 -0.36 -5.04 117.46 111.61 3i94 n PHE 1244Ca -0.05 -3.93 -0.42 0.00 1.01 0.00 0.00 57.45 54.06 3i94 n PHE 1244Cb 0.20 -0.47 -0.03 0.00 -0.01 0.00 0.00 39.48 39.16 3i94 n PHE 1244CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3i94 s ASP 1245N -2.49 6.87 -0.29 4.37 -4.77 -1.24 -4.60 116.67 114.51 3i94 s ASP 1245Ca 0.42 2.25 -0.22 0.00 -3.30 0.00 0.00 52.55 51.69 3i94 s ASP 1245Cb 0.23 -2.58 -0.01 0.00 -1.09 0.00 0.00 42.92 39.47 3i94 s ASP 1245CO -0.08 -0.63 0.73 -0.69 0.70 0.00 0.00 175.17 175.20 3i94 s VAL 1246N 1.26 4.86 0.67 2.11 1.01 -1.26 -4.92 120.40 124.14 3i94 s VAL 1246Ca 0.64 1.16 -0.09 0.00 0.00 0.00 0.00 61.98 63.69 3i94 s VAL 1246Cb -0.35 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 31.97 3i94 s VAL 1246CO 0.30 -0.15 1.03 0.27 0.00 0.00 0.00 175.10 176.55 3i94 s ILE 1247N 2.79 3.47 0.00 2.22 -4.36 -1.26 -5.10 121.20 118.95 3i94 s ILE 1247Ca 0.30 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.98 3i94 s ILE 1247Cb -0.15 -3.44 0.00 0.00 1.25 0.00 0.00 42.46 40.12 3i94 s ILE 1247CO 0.11 -0.54 0.47 0.00 0.24 0.00 0.00 174.94 175.22