#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwp s SER 1004N 0.00 -0.72 0.14 4.39 0.15 -1.26 -4.52 113.70 111.88 3fwp s SER 1004Ca 0.00 1.23 0.26 0.00 0.70 0.00 0.00 55.95 58.14 3fwp s SER 1004Cb 0.00 1.14 0.73 0.00 -1.71 0.00 0.00 66.02 66.17 3fwp s SER 1004CO 0.00 -0.22 1.65 0.47 1.20 0.00 0.00 173.24 176.34 3fwp n ASP 1005N 3.89 0.64 -4.32 5.45 8.00 0.53 -4.92 116.55 125.82 3fwp n ASP 1005Ca -0.19 0.38 -0.18 0.00 0.71 0.00 0.00 54.79 55.51 3fwp n ASP 1005Cb 0.57 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 3fwp n ASP 1005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3fwp s VAL 1006N -3.10 1.62 0.14 2.53 -7.23 -1.24 -5.04 120.40 108.08 3fwp s VAL 1006Ca 0.10 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 3fwp s VAL 1006Cb 0.14 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 3fwp s VAL 1006CO 0.63 -0.58 1.49 0.15 -0.31 0.00 0.00 175.10 176.48 3fwp h PHE 1007N 2.73 1.09 0.00 2.82 3.57 -1.95 -3.39 116.94 121.81 3fwp h PHE 1007Ca -0.38 -0.30 -0.23 0.00 3.53 0.00 0.00 57.97 60.59 3fwp h PHE 1007Cb 1.21 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 3fwp h PHE 1007CO 0.70 1.12 -1.86 0.72 -2.23 0.00 0.00 178.31 176.76 3fwp n HIS 1008N -4.11 0.00 0.17 0.41 8.25 -1.26 -4.76 115.22 113.92 3fwp n HIS 1008Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 3fwp n HIS 1008Cb 0.50 -0.59 0.21 0.00 1.12 0.00 0.00 29.99 31.24 3fwp n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fwp h LEU 1009N 0.00 0.00 -1.09 2.41 3.38 -1.92 -3.44 115.31 114.64 3fwp h LEU 1009Ca -0.34 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.43 3fwp h LEU 1009Cb 1.54 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.36 3fwp h LEU 1009CO -0.05 0.40 -0.35 0.61 0.09 0.00 0.00 178.44 179.13 3fwp n GLY 1010N 0.72 0.16 3.25 0.83 0.00 -1.26 -4.67 105.19 104.21 3fwp n GLY 1010Ca 0.01 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 3fwp n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 1011N -4.21 2.33 0.34 0.99 1.43 -1.26 -4.77 118.68 113.53 3fwp s LEU 1011Ca 0.24 -0.71 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3fwp s LEU 1011Cb -0.11 -0.70 -0.06 0.00 0.03 0.00 0.00 46.19 45.35 3fwp s LEU 1011CO 0.37 -0.03 0.00 0.42 0.23 0.00 0.00 176.35 177.34 3fwp s THR 1012N -1.49 2.54 0.42 5.49 -4.23 -1.26 -0.35 115.64 116.76 3fwp s THR 1012Ca 0.05 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.64 3fwp s THR 1012Cb -0.09 -2.78 0.26 0.00 1.34 0.00 0.00 72.50 71.23 3fwp s THR 1012CO 0.04 -0.19 2.06 0.11 -0.54 0.00 0.00 174.62 176.10 3fwp h LYS 1013N 1.83 0.50 -0.99 3.99 1.57 -1.97 -2.08 116.57 119.42 3fwp h LYS 1013Ca -0.43 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 3fwp h LYS 1013Cb 1.25 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.39 3fwp h LYS 1013CO 0.68 0.34 0.65 -0.97 -0.57 0.00 0.00 179.45 179.58 3fwp h ASN 1014N 0.51 1.09 -0.67 0.86 -1.24 -1.96 -2.30 115.58 111.88 3fwp h ASN 1014Ca 0.14 -0.01 0.14 0.00 0.71 0.00 0.00 56.30 57.28 3fwp h ASN 1014Cb -0.04 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.71 3fwp h ASN 1014CO -0.03 0.76 0.46 0.44 -1.29 0.00 0.00 177.43 177.77 3fwp h ASP 1015N 1.27 0.27 1.41 1.15 3.45 -1.78 -1.91 116.42 120.29 3fwp h ASP 1015Ca 0.39 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.79 3fwp h ASP 1015Cb -0.03 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 3fwp h ASP 1015CO -0.11 0.15 -0.32 -0.07 -1.57 0.00 0.00 179.24 177.32 3fwp h LEU 1016N 0.29 0.00 -0.92 1.55 4.07 -1.46 -3.47 115.31 115.37 3fwp h LEU 1016Ca 0.33 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.80 3fwp h LEU 1016Cb 0.87 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.55 3fwp h LEU 1016CO -0.08 0.32 -0.76 0.00 -1.08 0.00 0.00 178.44 176.84 3fwp n GLN 1017N -3.25 -5.20 -1.00 1.13 1.13 -0.72 -1.02 117.38 108.46 3fwp n GLN 1017Ca 0.02 0.57 -0.00 0.00 -1.94 0.00 0.00 57.00 55.65 3fwp n GLN 1017Cb 0.60 -5.44 -0.00 0.00 0.11 0.00 0.00 30.24 25.50 3fwp n GLN 1017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fwp n GLY 1018N -1.64 0.49 3.76 1.08 0.00 -1.26 -4.69 105.19 102.92 3fwp n GLY 1018Ca 0.05 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3fwp n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp n ALA 1019N 1.00 2.09 -0.29 4.61 0.00 -0.19 -4.90 120.51 122.83 3fwp n ALA 1019Ca -0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3fwp n ALA 1019Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 3fwp n ALA 1019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fwp n GLN 1020N 0.25 0.83 -5.07 0.00 6.02 -1.26 -4.39 117.38 113.76 3fwp n GLN 1020Ca 0.03 -0.21 -0.29 0.00 -0.01 0.00 0.00 57.00 56.52 3fwp n GLN 1020Cb 0.39 -0.64 -0.16 0.00 1.02 0.00 0.00 30.24 30.85 3fwp n GLN 1020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3fwp s LEU 1021N -0.35 2.00 -0.04 1.08 0.20 -1.26 -0.58 118.68 119.73 3fwp s LEU 1021Ca 0.00 -0.44 0.06 0.00 0.69 0.00 0.00 54.13 54.44 3fwp s LEU 1021Cb 0.00 -1.19 -0.01 0.00 -0.43 0.00 0.00 46.19 44.56 3fwp s LEU 1021CO 0.00 0.21 -0.22 0.00 -0.29 0.00 0.00 176.35 176.05 3fwp s ALA 1022N -0.09 1.86 -0.17 5.97 0.00 0.20 -1.84 121.76 127.68 3fwp s ALA 1022Ca -0.03 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 3fwp s ALA 1022Cb -0.13 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3fwp s ALA 1022CO 0.03 0.40 0.32 0.42 0.00 0.00 0.00 175.76 176.93 3fwp s ILE 1023N -0.27 5.27 -0.52 0.00 1.01 0.56 -0.99 121.20 126.26 3fwp s ILE 1023Ca 0.02 0.59 0.04 0.00 0.00 0.00 0.00 60.65 61.30 3fwp s ILE 1023Cb -0.11 -3.66 0.14 0.00 0.01 0.00 0.00 42.46 38.84 3fwp s ILE 1023CO 0.01 0.34 0.30 0.68 0.00 0.00 0.00 174.94 176.28 3fwp s VAL 1024N 0.75 2.16 0.79 2.92 -7.23 0.64 -1.20 120.40 119.24 3fwp s VAL 1024Ca 0.17 -3.23 -0.12 0.00 -1.81 0.00 0.00 61.98 57.00 3fwp s VAL 1024Cb -0.14 -2.48 0.07 0.00 0.56 0.00 0.00 36.38 34.39 3fwp s VAL 1024CO 0.05 -0.89 1.12 -2.16 -0.31 0.00 0.00 175.10 172.91 3fwp s PRO 1025N -0.29 2.11 -0.02 4.82 0.04 -1.24 -3.58 135.00 136.84 3fwp s PRO 1025Ca 0.19 0.41 -0.20 0.00 0.04 0.00 0.00 61.00 61.45 3fwp s PRO 1025Cb -0.20 -1.94 -0.33 0.00 0.04 0.00 0.00 34.50 32.07 3fwp s PRO 1025CO -0.04 -1.55 0.93 0.78 0.04 0.00 0.00 177.00 177.16 3fwp h GLY 1026N -1.03 0.45 -5.46 0.56 0.00 -1.84 -0.47 103.07 95.28 3fwp h GLY 1026Ca -0.47 -1.15 -0.57 0.00 0.00 0.00 0.00 47.33 45.13 3fwp h GLY 1026CO 0.63 1.01 0.03 0.51 0.00 0.00 0.00 176.54 178.71 3fwp s ASP 1027N -7.21 6.80 0.54 0.19 -4.77 -1.26 -1.27 116.67 109.69 3fwp s ASP 1027Ca -0.12 0.97 0.24 0.00 -3.30 0.00 0.00 52.55 50.34 3fwp s ASP 1027Cb 0.02 -2.35 1.42 0.00 -1.09 0.00 0.00 42.92 40.91 3fwp s ASP 1027CO 0.88 -0.13 2.03 -0.65 0.70 0.00 0.00 175.17 178.00 3fwp h PRO 1028N 6.96 0.00 0.00 2.11 0.11 -1.89 -2.04 132.00 137.25 3fwp h PRO 1028Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3fwp h PRO 1028Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fwp h PRO 1028CO 0.76 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.48 3fwp h GLU 1029N 0.00 0.00 0.00 1.05 5.08 -1.96 -3.07 114.58 115.69 3fwp h GLU 1029Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3fwp h GLU 1029Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3fwp h GLU 1029CO -0.00 0.00 -0.07 -0.09 -1.00 0.00 0.00 179.01 177.85 3fwp h ARG 1030N 0.00 0.00 -0.13 2.33 2.43 -1.78 -3.38 114.38 113.85 3fwp h ARG 1030Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3fwp h ARG 1030Cb 0.80 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3fwp h ARG 1030CO 0.00 0.00 0.07 0.28 -1.51 0.00 0.00 179.97 178.81 3fwp h VAL 1031N 0.00 1.01 -0.72 0.20 2.07 -1.59 -0.94 116.25 116.28 3fwp h VAL 1031Ca 0.00 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3fwp h VAL 1031Cb 0.90 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3fwp h VAL 1031CO 0.00 0.03 0.48 -0.08 0.02 0.00 0.00 177.57 178.01 3fwp h GLU 1032N 0.15 0.95 -0.55 1.57 4.81 -1.78 -1.35 114.58 118.38 3fwp h GLU 1032Ca 0.05 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3fwp h GLU 1032Cb 0.00 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 3fwp h GLU 1032CO -0.03 0.63 0.34 0.87 -0.73 0.00 0.00 179.01 180.09 3fwp h LYS 1033N 0.98 0.75 -0.33 1.92 1.57 -1.62 -0.77 116.57 119.06 3fwp h LYS 1033Ca 0.26 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 3fwp h LYS 1033Cb -0.11 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3fwp h LYS 1033CO -0.06 0.54 -0.11 0.82 -0.57 0.00 0.00 179.45 180.07 3fwp h ILE 1034N 0.75 1.28 -0.08 1.86 2.04 -1.00 -2.99 117.51 119.36 3fwp h ILE 1034Ca 0.20 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 3fwp h ILE 1034Cb -0.02 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3fwp h ILE 1034CO -0.04 0.39 -0.03 0.00 0.00 0.00 0.00 178.15 178.47 3fwp h ALA 1035N 0.80 1.81 0.00 1.87 0.00 -1.03 -1.79 119.26 120.91 3fwp h ALA 1035Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fwp h ALA 1035Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fwp h ALA 1035CO 0.04 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3fwp n ALA 1036N -2.51 1.34 1.44 0.00 0.00 -0.31 -1.36 120.51 119.09 3fwp n ALA 1036Ca -0.02 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.71 3fwp n ALA 1036Cb 0.15 -1.34 0.67 0.00 0.00 0.00 0.00 19.45 18.94 3fwp n ALA 1036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fwp n LEU 1037N -2.21 0.29 0.00 0.00 4.32 -0.67 -4.89 117.00 113.84 3fwp n LEU 1037Ca 0.00 0.10 -0.21 0.00 -0.02 0.00 0.00 56.01 55.88 3fwp n LEU 1037Cb 0.13 -0.21 -0.04 0.00 -1.62 0.00 0.00 43.42 41.68 3fwp n LEU 1037CO 0.14 0.05 -0.14 0.23 -1.22 0.00 0.00 177.39 176.45 3fwp n MET 1038N -1.07 1.19 -3.67 3.23 2.81 -0.47 -5.09 117.12 114.06 3fwp n MET 1038Ca 0.15 -2.38 -0.35 0.00 -1.81 0.00 0.00 57.70 53.31 3fwp n MET 1038Cb 0.26 0.61 -0.05 0.00 -0.71 0.00 0.00 33.22 33.33 3fwp n MET 1038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3fwp s ASP 1039N -2.82 6.57 -1.47 7.83 1.01 -0.13 -4.53 116.67 123.14 3fwp s ASP 1039Ca 0.01 0.68 -0.05 0.00 0.71 0.00 0.00 52.55 53.90 3fwp s ASP 1039Cb -0.00 -2.14 0.04 0.00 1.01 0.00 0.00 42.92 41.83 3fwp s ASP 1039CO 0.01 0.22 0.57 0.29 0.21 0.00 0.00 175.17 176.47 3fwp n LYS 1040N 1.06 -3.62 -2.21 8.23 4.76 -1.26 0.60 118.16 125.72 3fwp n LYS 1040Ca -0.10 0.43 -0.41 0.00 -2.87 0.00 0.00 58.31 55.36 3fwp n LYS 1040Cb 0.53 -4.79 -0.03 0.00 -1.84 0.00 0.00 35.03 28.90 3fwp n LYS 1040CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3fwp s PRO 1041N -6.59 4.40 -0.02 1.97 0.04 -1.26 -4.55 135.00 129.00 3fwp s PRO 1041Ca 0.21 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.35 3fwp s PRO 1041Cb -0.11 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.28 3fwp s PRO 1041CO 0.88 -0.19 -0.05 0.54 0.04 0.00 0.00 177.00 178.23 3fwp s VAL 1042N -0.37 0.42 0.13 -0.36 0.11 0.45 -4.99 120.40 115.79 3fwp s VAL 1042Ca 0.53 -0.17 -0.31 0.00 -2.93 0.00 0.00 61.98 59.11 3fwp s VAL 1042Cb -0.37 -0.40 -0.08 0.00 -1.53 0.00 0.00 36.38 34.00 3fwp s VAL 1042CO 0.43 0.15 1.31 -0.75 -3.33 0.00 0.00 175.10 172.90 3fwp s LYS 1043N 0.26 4.38 -0.21 1.54 2.20 -1.26 -0.93 119.74 125.70 3fwp s LYS 1043Ca -0.03 1.98 -0.16 0.00 -0.36 0.00 0.00 55.97 57.40 3fwp s LYS 1043Cb -0.07 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.91 3fwp s LYS 1043CO -0.00 -0.32 -0.29 1.28 -0.36 0.00 0.00 175.35 175.66 3fwp n LEU 1044N 3.51 1.93 -3.57 5.43 4.77 0.56 -4.90 117.00 124.72 3fwp n LEU 1044Ca 0.09 0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 56.34 3fwp n LEU 1044Cb 0.44 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3fwp n LEU 1044CO 0.57 0.06 0.27 0.00 -1.33 0.00 0.00 177.39 176.96 3fwp s ALA 1045N -2.70 -1.19 -0.20 -1.18 0.00 -1.10 -5.01 121.76 110.39 3fwp s ALA 1045Ca -0.31 0.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 3fwp s ALA 1045Cb 0.08 0.79 0.09 0.00 0.00 0.00 0.00 23.12 24.08 3fwp s ALA 1045CO 0.44 -0.72 0.21 0.45 0.00 0.00 0.00 175.76 176.14 3fwp s SER 1046N -2.79 1.49 -0.02 0.00 0.15 -1.26 -0.65 113.70 110.61 3fwp s SER 1046Ca 0.03 -0.27 -0.00 0.00 0.70 0.00 0.00 55.95 56.41 3fwp s SER 1046Cb 0.00 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 3fwp s SER 1046CO -0.11 -0.33 0.02 -1.00 1.20 0.00 0.00 173.24 173.03 3fwp s HIS 1047N 2.30 0.11 0.00 3.44 3.76 -0.30 -4.98 115.29 119.62 3fwp s HIS 1047Ca 0.06 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 3fwp s HIS 1047Cb -0.16 -0.30 0.00 0.00 1.11 0.00 0.00 32.58 33.23 3fwp s HIS 1047CO -0.12 -0.11 0.00 0.54 -0.85 0.00 0.00 174.74 174.20 3fwp n ARG 1048N 4.26 0.00 -0.04 1.40 1.74 -1.26 -0.11 116.66 122.65 3fwp n ARG 1048Ca -0.26 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.88 3fwp n ARG 1048Cb 0.50 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.21 3fwp n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3fwp n GLU 1049N 14.00 1.24 -3.42 5.56 0.00 -1.26 -4.73 120.64 132.02 3fwp n GLU 1049Ca 0.00 -0.36 -0.44 0.00 0.00 0.00 0.00 57.16 56.36 3fwp n GLU 1049Cb 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 31.44 30.19 3fwp n GLU 1049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3fwp s PHE 1050N -1.90 3.48 -0.18 -1.84 0.40 0.84 -4.01 117.98 114.78 3fwp s PHE 1050Ca 0.18 -1.83 -0.08 0.00 -0.60 0.00 0.00 56.93 54.60 3fwp s PHE 1050Cb 0.09 -3.66 -0.04 0.00 0.51 0.00 0.00 43.02 39.91 3fwp s PHE 1050CO 0.14 -0.98 0.09 0.99 0.70 0.00 0.00 175.22 176.15 3fwp s THR 1051N 0.89 5.03 0.01 0.64 2.01 -1.26 -1.15 115.64 121.81 3fwp s THR 1051Ca 0.10 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.19 3fwp s THR 1051Cb -0.22 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 3fwp s THR 1051CO -0.03 0.47 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.31 3fwp s SER 1052N 0.20 1.53 0.05 3.53 1.04 0.18 -1.43 113.70 118.79 3fwp s SER 1052Ca 0.06 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.20 3fwp s SER 1052Cb -0.12 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3fwp s SER 1052CO -0.00 0.10 -0.09 0.26 0.98 0.00 0.00 173.24 174.49 3fwp s TRP 1053N -0.51 0.76 -0.06 5.02 0.52 0.16 -0.33 118.94 124.50 3fwp s TRP 1053Ca 0.03 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.69 3fwp s TRP 1053Cb -0.06 -0.45 -0.03 0.00 -1.15 0.00 0.00 33.47 31.79 3fwp s TRP 1053CO 0.00 -0.06 -0.10 0.50 0.02 0.00 0.00 176.95 177.31 3fwp s ARG 1054N -1.57 2.63 0.28 4.98 3.52 -0.11 -0.68 118.95 128.01 3fwp s ARG 1054Ca -0.08 -0.62 0.04 0.00 -0.13 0.00 0.00 55.73 54.93 3fwp s ARG 1054Cb -0.10 -2.49 -0.03 0.00 -1.56 0.00 0.00 34.95 30.76 3fwp s ARG 1054CO 0.01 0.64 0.21 0.00 -0.81 0.00 0.00 175.30 175.35 3fwp s ALA 1055N -0.79 1.65 -0.10 6.12 0.00 -0.20 -0.41 121.76 128.03 3fwp s ALA 1055Ca 0.12 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.21 3fwp s ALA 1055Cb -0.11 1.39 -0.02 0.00 0.00 0.00 0.00 23.12 24.38 3fwp s ALA 1055CO 0.01 -0.61 -0.13 -1.21 0.00 0.00 0.00 175.76 173.83 3fwp s GLU 1056N -3.76 3.01 -0.13 0.00 2.02 0.20 -0.37 118.70 119.68 3fwp s GLU 1056Ca 0.39 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.71 3fwp s GLU 1056Cb 0.04 -2.55 0.03 0.00 0.10 0.00 0.00 34.13 31.75 3fwp s GLU 1056CO 0.20 0.41 -0.09 -1.17 0.02 0.00 0.00 175.26 174.64 3fwp s LEU 1057N -0.15 1.33 -1.77 1.80 2.96 0.52 -0.95 118.68 122.42 3fwp s LEU 1057Ca -0.00 -0.38 -0.20 0.00 -0.22 0.00 0.00 54.13 53.33 3fwp s LEU 1057Cb -0.13 -0.91 0.18 0.00 0.50 0.00 0.00 46.19 45.83 3fwp s LEU 1057CO 0.03 -0.11 0.66 0.47 -1.32 0.00 0.00 176.35 176.08 3fwp n ASP 1058N 4.90 -2.41 0.00 3.68 10.43 -1.26 -1.02 116.55 130.87 3fwp n ASP 1058Ca -0.13 -1.12 0.00 0.00 2.57 0.00 0.00 54.79 56.10 3fwp n ASP 1058Cb 0.50 -2.22 0.00 0.00 1.84 0.00 0.00 41.12 41.23 3fwp n ASP 1058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fwp n GLY 1059N -1.32 0.87 3.52 0.44 0.00 -1.26 -5.04 105.19 102.40 3fwp n GLY 1059Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3fwp n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwp s LYS 1060N -0.20 2.60 0.29 1.61 1.02 -0.19 -5.05 119.74 119.81 3fwp s LYS 1060Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 3fwp s LYS 1060Cb 0.00 -2.46 -0.10 0.00 -0.52 0.00 0.00 37.83 34.75 3fwp s LYS 1060CO 0.00 0.64 1.41 0.00 -0.92 0.00 0.00 175.35 176.48 3fwp s ALA 1061N -0.77 3.59 0.01 5.17 0.00 -1.26 -0.35 121.76 128.15 3fwp s ALA 1061Ca 0.12 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.43 3fwp s ALA 1061Cb -0.11 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 3fwp s ALA 1061CO 0.01 -0.75 -0.04 0.08 0.00 0.00 0.00 175.76 175.06 3fwp s VAL 1062N -0.44 0.24 -0.10 0.00 1.01 0.50 -4.29 120.40 117.32 3fwp s VAL 1062Ca 0.56 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3fwp s VAL 1062Cb -0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3fwp s VAL 1062CO 0.48 -0.16 0.09 -0.63 0.00 0.00 0.00 175.10 174.88 3fwp s ILE 1063N -0.64 5.08 -0.17 2.22 -1.09 -0.77 -1.03 121.20 124.79 3fwp s ILE 1063Ca -0.05 0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 58.39 3fwp s ILE 1063Cb -0.05 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.63 3fwp s ILE 1063CO -0.00 0.59 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.46 3fwp s VAL 1064N -1.00 2.54 -0.05 2.92 1.01 0.15 -0.32 120.40 125.64 3fwp s VAL 1064Ca 0.15 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3fwp s VAL 1064Cb -0.12 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.22 3fwp s VAL 1064CO 0.04 0.51 0.10 0.00 0.00 0.00 0.00 175.10 175.76 3fwp s SER 1066N 1.49 6.16 -0.02 0.00 1.04 -0.52 -3.62 113.70 118.23 3fwp s SER 1066Ca -0.05 1.99 0.19 0.00 0.48 0.00 0.00 55.95 58.55 3fwp s SER 1066Cb -0.12 -2.56 -0.28 0.00 0.10 0.00 0.00 66.02 63.16 3fwp s SER 1066CO -0.05 -0.91 0.44 0.35 0.98 0.00 0.00 173.24 174.05 3fwp n THR 1067N -1.10 0.00 -0.50 2.02 -2.24 -0.19 -4.48 114.28 107.80 3fwp n THR 1067Ca 0.10 -0.39 0.07 0.00 -2.27 0.00 0.00 64.05 61.56 3fwp n THR 1067Cb 0.52 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 3fwp n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fwp n GLY 1068N 1.45 -1.51 3.72 3.38 0.00 -0.40 -3.13 105.19 108.69 3fwp n GLY 1068Ca -0.03 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 3fwp n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 1069N -1.46 5.00 0.00 -0.61 1.01 -1.26 -4.69 121.20 119.19 3fwp s ILE 1069Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.24 3fwp s ILE 1069Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3fwp s ILE 1069CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3fwp n GLY 1070N 3.05 1.63 0.22 6.18 0.00 -1.25 -4.60 105.19 110.41 3fwp n GLY 1070Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 3fwp n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fwp h GLY 1071N 0.00 0.77 0.26 -0.02 0.00 -1.85 -2.30 103.07 99.93 3fwp h GLY 1071Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.18 3fwp h GLY 1071CO 0.00 0.12 -0.27 -2.55 0.00 0.00 0.00 176.54 173.84 3fwp h PRO 1072N 0.54 -0.33 -0.22 4.80 0.11 -1.94 0.41 132.00 135.37 3fwp h PRO 1072Ca 0.24 0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.25 3fwp h PRO 1072Cb 0.15 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3fwp h PRO 1072CO -0.17 -0.22 -0.40 0.66 -0.21 0.00 0.00 178.00 177.66 3fwp h SER 1073N -0.34 0.54 -0.49 -2.05 4.64 -1.79 -2.77 113.55 111.29 3fwp h SER 1073Ca 0.10 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.23 3fwp h SER 1073Cb 0.49 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 3fwp h SER 1073CO -0.31 0.88 0.23 0.74 -0.87 0.00 0.00 176.83 177.50 3fwp h THR 1074N 0.42 0.93 -0.43 2.95 2.02 -1.02 -1.77 112.91 116.01 3fwp h THR 1074Ca 0.04 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3fwp h THR 1074Cb 0.89 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3fwp h THR 1074CO 0.08 0.08 0.23 0.77 0.37 0.00 0.00 175.52 177.05 3fwp h SER 1075N 0.45 0.52 0.13 4.18 4.64 0.03 -0.75 113.55 122.75 3fwp h SER 1075Ca 0.22 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3fwp h SER 1075Cb 0.15 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3fwp h SER 1075CO -0.17 0.43 -0.06 0.40 -0.87 0.00 0.00 176.83 176.56 3fwp h ILE 1076N 0.59 1.04 -0.07 0.95 2.04 -1.18 -1.81 117.51 119.07 3fwp h ILE 1076Ca 0.15 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.24 3fwp h ILE 1076Cb 0.03 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3fwp h ILE 1076CO -0.02 0.19 -0.14 0.00 0.00 0.00 0.00 178.15 178.18 3fwp h ALA 1077N 0.24 -0.10 -0.41 1.87 0.00 -1.00 -1.08 119.26 118.78 3fwp h ALA 1077Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fwp h ALA 1077Cb 0.44 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3fwp h ALA 1077CO 0.03 -0.61 0.20 0.28 0.00 0.00 0.00 179.25 179.16 3fwp h VAL 1078N -0.19 1.17 -0.09 0.00 2.07 -1.21 0.81 116.25 118.80 3fwp h VAL 1078Ca 0.07 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3fwp h VAL 1078Cb 0.30 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3fwp h VAL 1078CO -0.19 0.18 0.05 -0.08 0.02 0.00 0.00 177.57 177.55 3fwp h GLU 1079N 0.52 0.11 -0.22 1.57 4.57 -1.17 0.12 114.58 120.07 3fwp h GLU 1079Ca 0.14 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.14 3fwp h GLU 1079Cb 0.10 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3fwp h GLU 1079CO -0.02 0.07 -0.56 0.93 -1.18 0.00 0.00 179.01 178.26 3fwp h GLU 1080N 0.11 0.68 -0.91 1.92 5.08 -1.03 -0.96 114.58 119.48 3fwp h GLU 1080Ca 0.04 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3fwp h GLU 1080Cb -0.00 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3fwp h GLU 1080CO -0.02 1.05 0.59 -0.07 -1.00 0.00 0.00 179.01 179.57 3fwp h LEU 1081N 0.52 1.01 -0.45 1.33 3.38 -0.78 -1.94 115.31 118.38 3fwp h LEU 1081Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fwp h LEU 1081Cb 1.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3fwp h LEU 1081CO 0.11 0.71 0.27 0.00 0.09 0.00 0.00 178.44 179.62 3fwp h ALA 1082N 1.35 0.57 -0.95 1.53 0.00 -0.49 -0.61 119.26 120.67 3fwp h ALA 1082Ca 0.35 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.28 3fwp h ALA 1082Cb -0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.46 3fwp h ALA 1082CO -0.09 0.07 0.59 1.96 0.00 0.00 0.00 179.25 181.78 3fwp h GLN 1083N 0.60 0.98 0.00 0.00 4.20 -0.92 -1.21 115.11 118.76 3fwp h GLN 1083Ca 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3fwp h GLN 1083Cb 0.01 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.56 3fwp h GLN 1083CO -0.03 0.65 0.00 -0.07 -0.67 0.00 0.00 178.83 178.71 3fwp h LEU 1084N 1.01 0.00 0.00 1.46 3.38 -0.87 -3.47 115.31 116.83 3fwp h LEU 1084Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3fwp h LEU 1084Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fwp h LEU 1084CO -0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.92 3fwp n GLY 1085N 0.21 0.40 3.73 0.83 0.00 -0.46 -4.75 105.19 105.16 3fwp n GLY 1085Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3fwp n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 1086N -1.32 3.40 -0.01 -0.61 -1.09 -0.32 -4.57 121.20 116.68 3fwp s ILE 1086Ca 0.00 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 3fwp s ILE 1086Cb 0.00 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 3fwp s ILE 1086CO 0.00 0.16 0.01 0.54 -1.23 0.00 0.00 174.94 174.42 3fwp n ARG 1087N 2.81 3.73 -4.51 2.79 5.12 0.25 -4.16 116.66 122.69 3fwp n ARG 1087Ca 0.06 -0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.74 3fwp n ARG 1087Cb 0.44 -0.74 -0.16 0.00 -1.16 0.00 0.00 32.46 30.83 3fwp n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3fwp s THR 1088N -1.49 1.02 -0.09 0.55 2.01 -0.83 -0.95 115.64 115.86 3fwp s THR 1088Ca 0.00 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.61 3fwp s THR 1088Cb 0.00 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.58 3fwp s THR 1088CO 0.02 0.33 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.76 3fwp s PHE 1089N 0.67 1.92 -0.25 4.92 0.40 0.86 -0.63 117.98 125.89 3fwp s PHE 1089Ca -0.14 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.40 3fwp s PHE 1089Cb -0.15 -1.36 0.05 0.00 0.51 0.00 0.00 43.02 42.07 3fwp s PHE 1089CO 0.03 -0.39 -0.12 -0.51 0.70 0.00 0.00 175.22 174.92 3fwp s LEU 1090N 0.73 3.20 0.08 -0.37 1.43 -0.16 -1.09 118.68 122.49 3fwp s LEU 1090Ca -0.12 -1.23 -0.27 0.00 -1.03 0.00 0.00 54.13 51.48 3fwp s LEU 1090Cb -0.16 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 3fwp s LEU 1090CO 0.03 -0.15 0.83 -0.60 0.23 0.00 0.00 176.35 176.68 3fwp s ARG 1091N 1.15 4.57 -0.12 1.70 3.52 -0.46 -0.26 118.95 129.05 3fwp s ARG 1091Ca -0.06 1.20 0.02 0.00 -0.13 0.00 0.00 55.73 56.76 3fwp s ARG 1091Cb -0.19 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 3fwp s ARG 1091CO -0.06 0.28 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.02 3fwp s ILE 1092N -0.12 1.75 0.38 4.11 -1.16 -1.24 -1.48 121.20 123.45 3fwp s ILE 1092Ca 0.41 -0.80 0.04 0.00 -0.51 0.00 0.00 60.65 59.79 3fwp s ILE 1092Cb -0.22 -1.56 -0.03 0.00 0.61 0.00 0.00 42.46 41.26 3fwp s ILE 1092CO 0.25 0.49 0.16 -0.83 -2.81 0.00 0.00 174.94 172.20 3fwp s GLY 1093N 0.84 2.50 -0.01 1.50 0.00 -0.47 -4.18 107.32 107.50 3fwp s GLY 1093Ca -0.08 -1.44 0.06 0.00 0.00 0.00 0.00 44.72 43.26 3fwp s GLY 1093CO -0.00 -1.74 -0.21 -0.51 0.00 0.00 0.00 173.10 170.64 3fwp s THR 1094N -3.29 1.63 0.09 0.90 -4.23 -1.26 -1.56 115.64 107.92 3fwp s THR 1094Ca 0.28 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.83 3fwp s THR 1094Cb 0.03 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 3fwp s THR 1094CO 0.17 0.44 0.10 0.28 -0.54 0.00 0.00 174.62 175.07 3fwp s THR 1095N -0.51 0.16 -0.26 3.99 -1.32 0.57 -4.88 115.64 113.38 3fwp s THR 1095Ca 0.08 -1.54 -0.08 0.00 -1.21 0.00 0.00 61.69 58.93 3fwp s THR 1095Cb -0.08 -1.57 -0.04 0.00 -1.51 0.00 0.00 72.50 69.30 3fwp s THR 1095CO -0.01 -0.71 0.11 -0.83 -2.21 0.00 0.00 174.62 170.97 3fwp s GLY 1096N -2.92 1.82 0.55 6.08 0.00 -1.26 -1.66 107.32 109.93 3fwp s GLY 1096Ca 0.10 -1.11 -0.16 0.00 0.00 0.00 0.00 44.72 43.55 3fwp s GLY 1096CO -0.07 0.56 1.02 0.00 0.00 0.00 0.00 173.10 174.61 3fwp s ALA 1097N 1.62 2.90 -0.01 3.20 0.00 -0.41 -3.09 121.76 125.97 3fwp s ALA 1097Ca 0.06 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3fwp s ALA 1097Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3fwp s ALA 1097CO 0.06 -0.53 0.66 0.44 0.00 0.00 0.00 175.76 176.39 3fwp n ILE 1098N -1.78 0.32 -3.96 0.00 -5.35 -0.08 -1.14 119.36 107.36 3fwp n ILE 1098Ca 0.08 -0.66 -0.35 0.00 -0.27 0.00 0.00 62.75 61.55 3fwp n ILE 1098Cb 0.53 0.84 -0.09 0.00 -1.74 0.00 0.00 39.64 39.19 3fwp n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fwp s GLN 1099N -0.32 3.85 0.50 6.28 -1.52 -1.24 -4.81 119.66 122.39 3fwp s GLN 1099Ca 0.00 -0.29 0.19 0.00 -1.95 0.00 0.00 55.36 53.32 3fwp s GLN 1099Cb 0.00 -3.22 1.27 0.00 -0.22 0.00 0.00 33.01 30.84 3fwp s GLN 1099CO 0.00 0.40 2.08 -1.35 -0.25 0.00 0.00 175.29 176.17 3fwp h PRO 1100N 6.27 0.00 -0.00 2.91 0.11 -1.97 -1.99 132.00 137.34 3fwp h PRO 1100Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3fwp h PRO 1100Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fwp h PRO 1100CO 0.68 0.10 -0.08 -2.39 -0.21 0.00 0.00 178.00 176.11 3fwp n HIS 1101N -4.18 0.00 -3.13 0.65 1.44 -1.26 -4.71 115.22 104.03 3fwp n HIS 1101Ca -0.03 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.27 3fwp n HIS 1101Cb 0.18 -0.42 -0.07 0.00 0.12 0.00 0.00 29.99 29.80 3fwp n HIS 1101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3fwp s ILE 1102N -2.92 4.93 0.16 0.61 1.01 -0.75 -5.05 121.20 119.19 3fwp s ILE 1102Ca 0.16 0.69 -0.03 0.00 0.00 0.00 0.00 60.65 61.47 3fwp s ILE 1102Cb 0.19 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 3fwp s ILE 1102CO 0.54 -0.21 0.38 0.20 0.00 0.00 0.00 174.94 175.84 3fwp s ASN 1103N 1.71 6.45 0.20 3.58 0.01 -1.26 -4.86 114.94 120.77 3fwp s ASN 1103Ca 0.24 0.51 -0.33 0.00 -0.71 0.00 0.00 52.86 52.58 3fwp s ASN 1103Cb -0.15 -2.06 -0.13 0.00 0.41 0.00 0.00 41.25 39.32 3fwp s ASN 1103CO 0.13 0.02 1.55 0.52 -1.51 0.00 0.00 177.10 177.81 3fwp n VAL 1104N -0.18 0.35 0.00 1.60 0.31 -1.26 -1.32 118.33 117.83 3fwp n VAL 1104Ca -0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3fwp n VAL 1104Cb 0.52 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 3fwp n VAL 1104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fwp n GLY 1105N 3.02 3.06 3.75 2.92 0.00 0.72 -4.89 105.19 113.76 3fwp n GLY 1105Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3fwp n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fwp s ASP 1106N -0.55 4.18 -0.08 1.61 -0.00 -0.44 -4.74 116.67 116.66 3fwp s ASP 1106Ca 0.00 1.94 0.03 0.00 -0.00 0.00 0.00 52.55 54.52 3fwp s ASP 1106Cb 0.00 -2.54 -0.02 0.00 -0.00 0.00 0.00 42.92 40.36 3fwp s ASP 1106CO 0.00 -2.26 -0.16 -0.69 -0.00 0.00 0.00 175.17 172.06 3fwp s VAL 1107N -2.78 2.84 -0.15 -1.27 1.01 0.81 -0.94 120.40 119.92 3fwp s VAL 1107Ca 0.63 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 3fwp s VAL 1107Cb -0.19 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3fwp s VAL 1107CO 0.55 0.57 -0.14 -0.76 0.00 0.00 0.00 175.10 175.32 3fwp s LEU 1108N -0.28 2.58 -0.18 3.92 1.43 0.50 -0.72 118.68 125.94 3fwp s LEU 1108Ca 0.01 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3fwp s LEU 1108Cb -0.13 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3fwp s LEU 1108CO 0.03 0.10 -0.03 -0.69 0.23 0.00 0.00 176.35 175.99 3fwp s VAL 1109N 0.72 3.87 -0.29 -1.59 1.01 -0.11 -0.91 120.40 123.08 3fwp s VAL 1109Ca -0.06 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3fwp s VAL 1109Cb -0.15 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3fwp s VAL 1109CO 0.02 0.47 0.34 -0.89 0.00 0.00 0.00 175.10 175.03 3fwp s THR 1110N 0.66 5.19 0.07 3.92 2.01 -0.39 -2.04 115.64 125.07 3fwp s THR 1110Ca -0.02 0.37 -0.08 0.00 0.31 0.00 0.00 61.69 62.27 3fwp s THR 1110Cb -0.14 -3.70 -0.28 0.00 0.01 0.00 0.00 72.50 68.38 3fwp s THR 1110CO 0.02 0.11 1.14 0.71 -0.69 0.00 0.00 174.62 175.91 3fwp h THR 1111N 5.43 1.40 -2.41 -0.82 1.35 -1.51 -3.40 112.91 112.95 3fwp h THR 1111Ca -0.32 -2.78 0.11 0.00 -0.55 0.00 0.00 66.41 62.88 3fwp h THR 1111Cb 1.16 2.83 -0.13 0.00 -1.73 0.00 0.00 68.15 70.28 3fwp h THR 1111CO 0.64 0.82 0.45 0.00 -0.25 0.00 0.00 175.52 177.18 3fwp s ALA 1112N -2.81 -1.73 0.01 6.62 0.00 -1.26 -0.68 121.76 121.91 3fwp s ALA 1112Ca -0.06 0.68 0.07 0.00 0.00 0.00 0.00 51.96 52.65 3fwp s ALA 1112Cb 0.06 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 3fwp s ALA 1112CO 0.90 -0.80 -0.22 -1.12 0.00 0.00 0.00 175.76 174.52 3fwp s SER 1113N -2.65 2.60 0.01 0.00 0.01 -0.10 -2.12 113.70 111.45 3fwp s SER 1113Ca 0.07 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 3fwp s SER 1113Cb -0.01 -0.25 -0.06 0.00 0.21 0.00 0.00 66.02 65.90 3fwp s SER 1113CO -0.06 0.23 1.45 -0.69 0.41 0.00 0.00 173.24 174.57 3fwp s VAL 1114N -0.66 3.61 -1.12 3.43 1.01 0.99 -4.34 120.40 123.32 3fwp s VAL 1114Ca 0.08 0.99 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 3fwp s VAL 1114Cb -0.09 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.77 3fwp s VAL 1114CO 0.01 -0.01 1.42 -0.13 0.00 0.00 0.00 175.10 176.39 3fwp s ARG 1115N 2.53 3.85 -0.45 2.72 0.52 -1.26 -1.28 118.95 125.57 3fwp s ARG 1115Ca 0.66 -1.97 0.04 0.00 -0.52 0.00 0.00 55.73 53.93 3fwp s ARG 1115Cb -0.33 -5.18 0.64 0.00 0.52 0.00 0.00 34.95 30.60 3fwp s ARG 1115CO 0.27 -1.96 1.89 1.28 0.02 0.00 0.00 175.30 176.80 3fwp n LEU 1116N 7.07 6.59 -4.76 2.53 4.77 -0.10 -4.94 117.00 128.15 3fwp n LEU 1116Ca 0.35 -3.68 -0.30 0.00 -0.03 0.00 0.00 56.01 52.35 3fwp n LEU 1116Cb 0.47 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 3fwp n LEU 1116CO 0.63 1.10 -0.20 1.51 -1.33 0.00 0.00 177.39 179.10 3fwp s ASP 1117N -1.45 4.20 -0.13 -1.43 3.84 -1.20 -1.56 116.67 118.95 3fwp s ASP 1117Ca 0.56 -1.48 0.08 0.00 -0.00 0.00 0.00 52.55 51.72 3fwp s ASP 1117Cb 0.48 0.25 -0.14 0.00 -1.38 0.00 0.00 42.92 42.12 3fwp s ASP 1117CO 0.09 -0.79 0.00 0.61 -0.00 0.00 0.00 175.17 175.08 3fwp n GLY 1118N -1.30 -0.50 0.23 2.12 0.00 -1.26 -4.71 105.19 99.77 3fwp n GLY 1118Ca -0.12 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.73 3fwp n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp h ALA 1119N 0.46 1.36 -0.75 4.61 0.00 -1.98 -2.64 119.26 120.32 3fwp h ALA 1119Ca -0.33 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.37 3fwp h ALA 1119Cb 1.69 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 3fwp h ALA 1119CO 0.00 0.44 0.49 0.66 0.00 0.00 0.00 179.25 180.84 3fwp h SER 1120N 0.24 0.70 0.42 0.00 4.64 -1.84 -0.05 113.55 117.65 3fwp h SER 1120Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3fwp h SER 1120Cb 0.52 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3fwp h SER 1120CO 0.04 0.45 0.00 -0.07 -0.87 0.00 0.00 176.83 176.38 3fwp h LEU 1121N 0.79 0.00 -0.08 5.97 3.38 -1.58 -0.97 115.31 122.82 3fwp h LEU 1121Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3fwp h LEU 1121Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3fwp h LEU 1121CO -0.11 0.00 -0.11 1.41 0.09 0.00 0.00 178.44 179.72 3fwp n HIS 1122N -2.38 0.00 -0.02 1.13 8.25 -0.03 -3.96 115.22 118.22 3fwp n HIS 1122Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.45 3fwp n HIS 1122Cb 0.15 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 3fwp n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3fwp n PHE 1123N -1.26 0.00 -3.58 4.41 3.01 -0.46 -5.08 117.46 114.50 3fwp n PHE 1123Ca 0.11 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.41 3fwp n PHE 1123Cb 0.30 -0.15 -0.07 0.00 -0.01 0.00 0.00 39.48 39.55 3fwp n PHE 1123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fwp s ALA 1124N -2.07 -1.73 0.90 4.37 0.00 -0.69 -4.99 121.76 117.55 3fwp s ALA 1124Ca -0.02 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 3fwp s ALA 1124Cb 0.01 -0.49 0.14 0.00 0.00 0.00 0.00 23.12 22.77 3fwp s ALA 1124CO 0.12 -0.35 1.11 -1.25 0.00 0.00 0.00 175.76 175.39 3fwp s PRO 1125N -0.53 1.14 0.54 0.00 0.04 -1.26 -3.87 135.00 131.06 3fwp s PRO 1125Ca -0.06 1.30 0.25 0.00 0.04 0.00 0.00 61.00 62.52 3fwp s PRO 1125Cb -0.02 -1.76 1.40 0.00 0.04 0.00 0.00 34.50 34.16 3fwp s PRO 1125CO 0.06 -2.46 2.02 1.98 0.04 0.00 0.00 177.00 178.64 3fwp h MET 1126N -1.73 0.00 -0.04 4.56 4.05 -1.94 -1.06 114.93 118.77 3fwp h MET 1126Ca -0.46 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.97 3fwp h MET 1126Cb 1.27 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3fwp h MET 1126CO 0.46 0.00 0.03 0.93 0.23 0.00 0.00 176.91 178.57 3fwp h GLU 1127N 0.00 0.00 -6.69 0.39 3.07 -2.03 -3.43 114.58 105.89 3fwp h GLU 1127Ca 0.21 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.55 3fwp h GLU 1127Cb 0.87 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.80 3fwp h GLU 1127CO -0.00 0.00 0.59 0.12 -1.40 0.00 0.00 179.01 178.31 3fwp s PHE 1128N -4.87 3.36 0.10 4.33 2.19 -0.40 -4.99 117.98 117.70 3fwp s PHE 1128Ca -0.05 1.37 -0.30 0.00 0.33 0.00 0.00 56.93 58.28 3fwp s PHE 1128Cb 0.16 -3.49 -0.06 0.00 -1.31 0.00 0.00 43.02 38.32 3fwp s PHE 1128CO 0.62 -1.42 1.05 -1.25 1.83 0.00 0.00 175.22 176.05 3fwp s PRO 1129N -0.33 4.59 -1.33 10.12 0.04 -1.26 -4.94 135.00 141.89 3fwp s PRO 1129Ca 0.53 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 63.02 3fwp s PRO 1129Cb -0.34 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 3fwp s PRO 1129CO 0.38 0.04 2.24 0.00 0.04 0.00 0.00 177.00 179.70 3fwp n ALA 1130N 3.05 5.31 -2.85 8.56 0.00 -1.26 -4.70 120.51 128.62 3fwp n ALA 1130Ca 0.04 -3.69 -0.36 0.00 0.00 0.00 0.00 53.44 49.43 3fwp n ALA 1130Cb 0.48 -3.53 -0.06 0.00 0.00 0.00 0.00 19.45 16.34 3fwp n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fwp s VAL 1131N 3.44 5.27 0.49 0.00 0.11 -1.26 -0.93 120.40 127.52 3fwp s VAL 1131Ca 0.51 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 59.40 3fwp s VAL 1131Cb 0.14 -3.32 -0.08 0.00 -1.53 0.00 0.00 36.38 31.59 3fwp s VAL 1131CO -0.05 0.54 1.00 0.00 -3.33 0.00 0.00 175.10 173.27 3fwp s ALA 1132N -1.08 2.95 0.32 1.54 0.00 0.14 -4.65 121.76 120.98 3fwp s ALA 1132Ca 0.18 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 3fwp s ALA 1132Cb -0.12 -3.19 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 3fwp s ALA 1132CO 0.07 -0.24 1.44 0.34 0.00 0.00 0.00 175.76 177.38 3fwp s ASP 1133N -2.43 6.55 0.11 0.00 -1.08 0.18 -4.94 116.67 115.05 3fwp s ASP 1133Ca 0.63 2.84 -0.20 0.00 -0.52 0.00 0.00 52.55 55.30 3fwp s ASP 1133Cb -0.12 -2.65 -0.07 0.00 -1.46 0.00 0.00 42.92 38.62 3fwp s ASP 1133CO 0.23 -0.74 1.70 0.15 0.52 0.00 0.00 175.17 177.03 3fwp h PHE 1134N 3.93 0.29 -0.60 -5.34 3.57 -1.96 -1.20 116.94 115.64 3fwp h PHE 1134Ca -0.48 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.02 3fwp h PHE 1134Cb 1.23 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 3fwp h PHE 1134CO 0.57 0.27 0.39 0.00 -2.23 0.00 0.00 178.31 177.30 3fwp h ALA 1135N 1.00 0.76 -0.21 2.41 0.00 -1.96 0.87 119.26 122.12 3fwp h ALA 1135Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fwp h ALA 1135Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3fwp h ALA 1135CO -0.01 0.17 0.12 0.00 0.00 0.00 0.00 179.25 179.53 3fwp h THR 1137N 0.24 1.15 -0.30 0.00 2.02 -0.96 -1.25 112.91 113.82 3fwp h THR 1137Ca 0.07 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.92 3fwp h THR 1137Cb 0.05 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 3fwp h THR 1137CO -0.01 0.16 -0.01 0.74 0.37 0.00 0.00 175.52 176.77 3fwp h THR 1138N 0.57 0.77 -0.88 3.16 2.02 -0.68 -0.42 112.91 117.45 3fwp h THR 1138Ca 0.15 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 3fwp h THR 1138Cb 0.04 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3fwp h THR 1138CO -0.03 0.01 0.53 0.00 0.37 0.00 0.00 175.52 176.40 3fwp h ALA 1139N 1.26 1.27 -0.26 6.16 0.00 -0.69 -0.40 119.26 126.60 3fwp h ALA 1139Ca 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3fwp h ALA 1139Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3fwp h ALA 1139CO -0.25 0.62 -0.07 -0.07 0.00 0.00 0.00 179.25 179.48 3fwp h LEU 1140N 1.21 0.51 -0.25 0.00 3.38 -0.90 -0.24 115.31 119.03 3fwp h LEU 1140Ca 0.32 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3fwp h LEU 1140Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fwp h LEU 1140CO -0.06 0.77 0.13 0.58 0.09 0.00 0.00 178.44 179.95 3fwp h VAL 1141N 0.25 1.12 -0.53 1.22 2.07 -0.81 -1.08 116.25 118.50 3fwp h VAL 1141Ca 0.07 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3fwp h VAL 1141Cb 0.54 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3fwp h VAL 1141CO 0.03 0.12 0.19 -0.33 0.02 0.00 0.00 177.57 177.59 3fwp h GLU 1142N 0.29 0.81 -0.64 1.57 5.08 -1.09 -2.63 114.58 117.97 3fwp h GLU 1142Ca 0.09 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3fwp h GLU 1142Cb 0.07 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3fwp h GLU 1142CO -0.01 0.73 0.26 0.00 -1.00 0.00 0.00 179.01 178.99 3fwp h ALA 1143N 1.04 1.24 -0.69 3.43 0.00 -0.90 -1.70 119.26 121.69 3fwp h ALA 1143Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fwp h ALA 1143Cb 0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3fwp h ALA 1143CO -0.01 0.56 0.41 0.00 0.00 0.00 0.00 179.25 180.21 3fwp h ALA 1144N 1.36 1.42 -0.29 0.00 0.00 -0.94 -0.72 119.26 120.08 3fwp h ALA 1144Ca 0.22 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3fwp h ALA 1144Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fwp h ALA 1144CO -0.02 0.50 -0.37 0.87 0.00 0.00 0.00 179.25 180.23 3fwp h LYS 1145N 0.96 0.68 -0.35 0.00 1.57 -1.06 0.68 116.57 119.03 3fwp h LYS 1145Ca 0.25 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 3fwp h LYS 1145Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3fwp h LYS 1145CO -0.05 0.94 -0.11 0.77 -0.57 0.00 0.00 179.45 180.43 3fwp h SER 1146N 0.56 0.59 0.38 0.86 0.02 -0.67 -3.15 113.55 112.14 3fwp h SER 1146Ca 0.05 -0.16 -0.32 0.00 -0.84 0.00 0.00 61.79 60.52 3fwp h SER 1146Cb 0.89 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 63.29 3fwp h SER 1146CO 0.08 0.74 -1.49 0.40 -1.14 0.00 0.00 176.83 175.42 3fwp h ILE 1147N 0.56 1.24 0.00 3.27 1.08 -1.08 -3.49 117.51 119.09 3fwp h ILE 1147Ca 0.10 -2.77 0.00 0.00 -0.39 0.00 0.00 64.86 61.80 3fwp h ILE 1147Cb 0.52 2.91 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 3fwp h ILE 1147CO 0.03 0.84 0.00 0.61 -0.69 0.00 0.00 178.15 178.94 3fwp n GLY 1148N 1.69 1.40 3.80 5.37 0.00 0.15 -5.10 105.19 112.51 3fwp n GLY 1148Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3fwp n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp s ALA 1149N -2.00 2.75 -0.33 4.61 0.00 -0.74 -5.00 121.76 121.05 3fwp s ALA 1149Ca 0.00 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 3fwp s ALA 1149Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.90 3fwp s ALA 1149CO 0.00 -0.75 1.05 0.99 0.00 0.00 0.00 175.76 177.05 3fwp s THR 1150N -2.38 4.52 -0.05 0.00 2.01 -1.26 -4.82 115.64 113.66 3fwp s THR 1150Ca 0.64 1.65 0.06 0.00 0.31 0.00 0.00 61.69 64.35 3fwp s THR 1150Cb -0.16 -4.40 -0.02 0.00 0.01 0.00 0.00 72.50 67.93 3fwp s THR 1150CO 0.35 -0.49 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.67 3fwp s THR 1151N 3.63 2.31 -0.04 -0.82 2.01 -1.26 -0.13 115.64 121.34 3fwp s THR 1151Ca 0.44 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.53 3fwp s THR 1151Cb -0.12 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 3fwp s THR 1151CO 0.16 0.57 -0.25 -1.00 -0.69 0.00 0.00 174.62 173.41 3fwp s HIS 1152N -0.31 2.36 -0.14 4.92 3.76 0.11 -4.96 115.29 121.02 3fwp s HIS 1152Ca 0.01 -0.56 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 3fwp s HIS 1152Cb -0.13 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.05 3fwp s HIS 1152CO 0.02 -0.11 -0.17 0.08 -0.85 0.00 0.00 174.74 173.71 3fwp s VAL 1153N -0.42 1.76 -2.02 -0.90 1.01 -1.26 -0.94 120.40 117.63 3fwp s VAL 1153Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3fwp s VAL 1153Cb -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3fwp s VAL 1153CO 0.01 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3fwp n GLY 1154N 4.43 -0.68 3.83 4.51 0.00 -0.86 -4.96 105.19 111.46 3fwp n GLY 1154Ca -0.19 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 3fwp n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 1155N -4.00 5.10 -0.01 1.61 1.01 -1.26 -1.25 120.40 121.60 3fwp s VAL 1155Ca 0.00 0.76 0.08 0.00 0.00 0.00 0.00 61.98 62.81 3fwp s VAL 1155Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3fwp s VAL 1155CO 0.00 0.56 -0.24 -0.89 0.00 0.00 0.00 175.10 174.53 3fwp s THR 1156N -0.93 2.20 -0.27 3.92 2.01 -0.90 -0.45 115.64 121.22 3fwp s THR 1156Ca 0.22 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 3fwp s THR 1156Cb -0.16 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 3fwp s THR 1156CO 0.12 0.55 0.54 0.00 -0.69 0.00 0.00 174.62 175.13 3fwp s ALA 1157N -0.66 3.59 -0.37 7.40 0.00 0.19 -0.01 121.76 131.91 3fwp s ALA 1157Ca 0.11 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 3fwp s ALA 1157Cb -0.10 -2.93 0.05 0.00 0.00 0.00 0.00 23.12 20.14 3fwp s ALA 1157CO -0.00 -0.79 0.17 0.45 0.00 0.00 0.00 175.76 175.58 3fwp s SER 1158N 1.55 5.50 -0.08 0.00 0.15 -0.41 -1.70 113.70 118.72 3fwp s SER 1158Ca 0.22 -1.21 -0.01 0.00 0.70 0.00 0.00 55.95 55.65 3fwp s SER 1158Cb -0.16 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 3fwp s SER 1158CO 0.09 -0.40 -0.01 -0.55 1.20 0.00 0.00 173.24 173.57 3fwp s SER 1159N 1.61 5.10 0.00 5.45 0.15 0.37 -0.93 113.70 125.46 3fwp s SER 1159Ca 0.01 0.10 0.18 0.00 0.70 0.00 0.00 55.95 56.94 3fwp s SER 1159Cb -0.20 -1.40 0.86 0.00 -1.71 0.00 0.00 66.02 63.56 3fwp s SER 1159CO 0.04 0.37 1.58 0.47 1.20 0.00 0.00 173.24 176.89 3fwp n ASP 1160N 2.11 0.00 -4.22 5.45 10.43 -0.60 -4.29 116.55 125.43 3fwp n ASP 1160Ca -0.18 0.28 -0.18 0.00 2.57 0.00 0.00 54.79 57.28 3fwp n ASP 1160Cb 0.53 -0.40 -0.11 0.00 1.84 0.00 0.00 41.12 42.98 3fwp n ASP 1160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3fwp s THR 1161N -2.80 1.23 0.10 -3.53 -4.23 -1.26 -5.01 115.64 100.13 3fwp s THR 1161Ca 0.13 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 3fwp s THR 1161Cb 0.12 -1.39 -0.23 0.00 1.34 0.00 0.00 72.50 72.34 3fwp s THR 1161CO 0.31 -0.38 1.22 0.15 -0.54 0.00 0.00 174.62 175.38 3fwp h PHE 1162N 3.73 0.13 0.00 3.99 3.04 -1.97 -3.38 116.94 122.47 3fwp h PHE 1162Ca -0.40 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.46 3fwp h PHE 1162Cb 1.19 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.70 3fwp h PHE 1162CO 0.64 1.07 0.00 0.66 -2.02 0.00 0.00 178.31 178.67 3fwp n TYR 1163N -3.39 0.00 0.13 0.41 4.02 -1.26 -4.31 117.16 112.76 3fwp n TYR 1163Ca -0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.86 3fwp n TYR 1163Cb 0.96 0.00 0.25 0.00 -0.02 0.00 0.00 39.34 40.54 3fwp n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3fwp h PRO 1164N 0.00 0.13 0.00 -0.72 0.13 -1.87 0.73 132.00 130.40 3fwp h PRO 1164Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3fwp h PRO 1164Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fwp h PRO 1164CO 0.00 0.55 0.00 0.78 -0.23 0.00 0.00 178.00 179.10 3fwp h GLY 1165N 1.30 0.00 -2.48 1.56 0.00 -1.86 -0.78 103.07 100.81 3fwp h GLY 1165Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3fwp h GLY 1165CO 0.06 0.00 0.05 -1.06 0.00 0.00 0.00 176.54 175.59 3fwp n GLN 1166N -2.87 3.40 -4.18 4.80 6.02 -0.89 -4.92 117.38 118.74 3fwp n GLN 1166Ca 0.00 -3.00 -0.30 0.00 -0.01 0.00 0.00 57.00 53.69 3fwp n GLN 1166Cb 0.25 -2.01 -0.07 0.00 1.02 0.00 0.00 30.24 29.44 3fwp n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3fwp n GLU 1167N -0.26 -1.61 -3.25 -1.09 2.13 -0.30 -4.93 120.64 111.32 3fwp n GLU 1167Ca 0.28 0.19 -0.38 0.00 0.66 0.00 0.00 57.16 57.91 3fwp n GLU 1167Cb 1.08 -3.81 -0.06 0.00 0.27 0.00 0.00 31.44 28.92 3fwp n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3fwp s ARG 1168N -7.11 4.33 -0.01 5.31 0.52 0.20 -4.96 118.95 117.23 3fwp s ARG 1168Ca 0.04 0.58 0.15 0.00 -0.52 0.00 0.00 55.73 55.99 3fwp s ARG 1168Cb -0.02 -3.41 -0.19 0.00 0.52 0.00 0.00 34.95 31.85 3fwp s ARG 1168CO 0.96 0.21 0.54 0.66 0.02 0.00 0.00 175.30 177.70 3fwp n TYR 1169N 3.40 0.00 -0.98 -0.53 4.02 -1.26 -4.36 117.16 117.45 3fwp n TYR 1169Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.54 3fwp n TYR 1169Cb 0.51 -0.13 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 3fwp n TYR 1169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3fwp n ASP 1170N -1.60 6.55 -4.33 7.72 5.75 -1.26 -4.14 116.55 125.24 3fwp n ASP 1170Ca 0.01 -2.42 -0.21 0.00 -0.01 0.00 0.00 54.79 52.16 3fwp n ASP 1170Cb 0.30 -1.29 -0.10 0.00 -1.03 0.00 0.00 41.12 39.00 3fwp n ASP 1170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3fwp s THR 1171N 2.85 0.86 0.19 2.12 -4.23 -1.26 -5.02 115.64 111.15 3fwp s THR 1171Ca 0.53 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.89 3fwp s THR 1171Cb 0.14 -2.66 0.14 0.00 1.34 0.00 0.00 72.50 71.46 3fwp s THR 1171CO -0.04 0.00 1.67 0.22 -0.54 0.00 0.00 174.62 175.92 3fwp h TYR 1172N 2.15 -0.15 0.00 3.99 5.03 -1.99 -2.88 116.97 123.11 3fwp h TYR 1172Ca -0.39 0.04 -0.18 0.00 2.58 0.00 0.00 58.73 60.78 3fwp h TYR 1172Cb 1.25 0.14 -0.03 0.00 1.55 0.00 0.00 36.73 39.64 3fwp h TYR 1172CO 0.72 -0.17 -1.15 0.66 -1.32 0.00 0.00 178.16 176.89 3fwp h SER 1173N 0.05 0.00 -0.54 -2.11 4.64 -1.97 -3.47 113.55 110.15 3fwp h SER 1173Ca 0.25 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.34 3fwp h SER 1173Cb 0.38 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.38 3fwp h SER 1173CO -0.47 0.70 -0.21 0.61 -0.87 0.00 0.00 176.83 176.59 3fwp n GLY 1174N 1.37 1.16 3.40 -0.77 0.00 -1.09 -4.99 105.19 104.27 3fwp n GLY 1174Ca -0.06 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3fwp n GLY 1174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fwp s ARG 1175N -2.83 1.44 -0.09 1.61 1.70 -1.26 -4.92 118.95 114.61 3fwp s ARG 1175Ca 0.00 -1.43 0.02 0.00 -0.47 0.00 0.00 55.73 53.85 3fwp s ARG 1175Cb 0.00 -1.83 0.01 0.00 -0.57 0.00 0.00 34.95 32.56 3fwp s ARG 1175CO 0.00 0.41 -0.14 0.08 -1.08 0.00 0.00 175.30 174.58 3fwp s VAL 1176N -1.40 1.32 0.67 4.99 1.01 -1.26 -4.92 120.40 120.81 3fwp s VAL 1176Ca 0.17 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 3fwp s VAL 1176Cb -0.09 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3fwp s VAL 1176CO 0.08 0.40 0.94 0.55 0.00 0.00 0.00 175.10 177.07 3fwp n VAL 1177N 4.01 3.25 -0.27 2.92 3.14 -1.26 -4.53 118.33 125.59 3fwp n VAL 1177Ca -0.20 -0.44 0.08 0.00 -2.96 0.00 0.00 64.34 60.82 3fwp n VAL 1177Cb 0.52 -1.10 0.20 0.00 -1.06 0.00 0.00 33.84 32.40 3fwp n VAL 1177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3fwp h ARG 1178N 0.07 0.13 -1.00 1.45 2.43 -2.00 -0.54 114.38 114.92 3fwp h ARG 1178Ca -0.48 -0.01 0.23 0.00 -0.81 0.00 0.00 59.98 58.91 3fwp h ARG 1178Cb 1.35 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.78 3fwp h ARG 1178CO 0.48 0.09 0.63 -0.09 -1.51 0.00 0.00 179.97 179.57 3fwp h ARG 1179N 0.14 0.48 -0.01 0.20 2.43 -2.01 -2.42 114.38 113.19 3fwp h ARG 1179Ca 0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3fwp h ARG 1179Cb 0.86 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3fwp h ARG 1179CO -0.67 0.32 -0.53 1.19 -1.51 0.00 0.00 179.97 178.76 3fwp n PHE 1180N -4.64 0.00 -1.70 2.20 3.01 -0.26 -4.75 117.46 111.32 3fwp n PHE 1180Ca 0.23 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.27 3fwp n PHE 1180Cb 0.75 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.19 3fwp n PHE 1180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3fwp s LYS 1181N -2.27 4.13 -0.07 -1.08 1.02 -0.88 -1.66 119.74 118.94 3fwp s LYS 1181Ca 0.12 2.61 0.00 0.00 0.02 0.00 0.00 55.97 58.72 3fwp s LYS 1181Cb 0.14 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 3fwp s LYS 1181CO 0.54 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 3fwp n GLY 1182N 4.26 0.28 0.22 -3.33 0.00 -1.26 -4.91 105.19 100.45 3fwp n GLY 1182Ca 0.18 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3fwp n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fwp h SER 1183N 0.00 0.82 -0.69 1.61 4.64 -1.61 -3.02 113.55 115.30 3fwp h SER 1183Ca -0.01 -0.49 0.02 0.00 -0.47 0.00 0.00 61.79 60.85 3fwp h SER 1183Cb 0.57 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 3fwp h SER 1183CO 0.02 1.26 0.44 -0.03 -0.87 0.00 0.00 176.83 177.64 3fwp h MET 1184N 0.52 0.84 -0.87 4.77 -1.53 -1.91 -0.66 114.93 116.08 3fwp h MET 1184Ca -0.02 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 3fwp h MET 1184Cb 1.25 -0.19 -0.04 0.00 -0.55 0.00 0.00 31.60 32.07 3fwp h MET 1184CO 0.13 0.56 0.54 1.49 0.14 0.00 0.00 176.91 179.76 3fwp h GLU 1185N 0.86 1.18 0.10 0.39 4.81 -1.96 -0.61 114.58 119.35 3fwp h GLU 1185Ca 0.27 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3fwp h GLU 1185Cb -0.01 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.12 3fwp h GLU 1185CO -0.09 0.82 -0.05 0.93 -0.73 0.00 0.00 179.01 179.88 3fwp h GLU 1186N 1.20 -0.13 -0.92 1.92 5.08 -1.25 -1.08 114.58 119.39 3fwp h GLU 1186Ca 0.31 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.70 3fwp h GLU 1186Cb -0.07 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 3fwp h GLU 1186CO -0.06 -0.05 0.61 -1.49 -1.00 0.00 0.00 179.01 177.01 3fwp h TRP 1187N -0.17 1.15 -0.15 4.33 -0.00 -0.95 -1.14 115.95 119.03 3fwp h TRP 1187Ca -0.01 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.93 3fwp h TRP 1187Cb 0.14 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 28.88 3fwp h TRP 1187CO -0.06 0.71 -0.05 1.96 -0.00 0.00 0.00 178.44 181.01 3fwp h GLN 1188N 1.23 -0.01 -0.07 0.49 4.20 -0.96 -0.51 115.11 119.47 3fwp h GLN 1188Ca 0.34 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.04 3fwp h GLN 1188Cb -0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3fwp h GLN 1188CO -0.08 -0.01 -0.03 0.00 -0.67 0.00 0.00 178.83 178.03 3fwp h ALA 1189N 1.13 1.81 -0.12 3.87 0.00 -0.75 -1.07 119.26 124.13 3fwp h ALA 1189Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fwp h ALA 1189Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fwp h ALA 1189CO -0.16 0.15 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 3fwp n MET 1190N -4.43 1.38 -1.01 0.00 2.81 -0.47 -4.91 117.12 110.48 3fwp n MET 1190Ca -0.02 -0.57 -0.00 0.00 -1.81 0.00 0.00 57.70 55.29 3fwp n MET 1190Cb 0.15 -1.26 -0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3fwp n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fwp n GLY 1191N 0.89 0.47 3.72 3.03 0.00 -0.41 -5.01 105.19 107.89 3fwp n GLY 1191Ca 0.11 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3fwp n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 1192N -1.94 2.33 0.05 1.61 1.01 -0.25 -4.58 120.40 118.62 3fwp s VAL 1192Ca 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 3fwp s VAL 1192Cb 0.00 -3.15 -0.32 0.00 0.00 0.00 0.00 36.38 32.90 3fwp s VAL 1192CO 0.00 0.02 1.06 0.24 0.00 0.00 0.00 175.10 176.42 3fwp h MET 1193N 6.44 0.53 -2.56 2.72 0.00 -1.08 -3.42 114.93 117.57 3fwp h MET 1193Ca -0.43 -0.83 0.14 0.00 0.00 0.00 0.00 59.70 58.58 3fwp h MET 1193Cb 1.21 0.30 -0.07 0.00 0.00 0.00 0.00 31.60 33.03 3fwp h MET 1193CO 0.91 1.39 0.40 0.54 0.00 0.00 0.00 176.91 180.14 3fwp s ASN 1194N -7.47 -0.21 -0.04 1.22 4.22 -1.26 -0.91 114.94 110.50 3fwp s ASN 1194Ca -0.08 -0.47 0.01 0.00 -2.14 0.00 0.00 52.86 50.18 3fwp s ASN 1194Cb 0.05 0.57 -0.03 0.00 1.28 0.00 0.00 41.25 43.12 3fwp s ASN 1194CO 0.93 -1.05 -0.05 -0.31 -2.04 0.00 0.00 177.10 174.59 3fwp s TYR 1195N -3.50 2.97 0.00 1.54 2.02 -1.18 -0.63 117.35 118.57 3fwp s TYR 1195Ca 0.12 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.85 3fwp s TYR 1195Cb -0.03 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 3fwp s TYR 1195CO 0.04 0.38 0.00 -0.85 -1.57 0.00 0.00 175.55 173.55 3fwp n GLU 1196N 1.86 0.00 0.00 -0.62 -0.00 -0.69 -4.17 120.64 117.02 3fwp n GLU 1196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 3fwp n GLU 1196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 3fwp n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3fwp n MET 1197N 0.00 0.54 0.00 3.44 2.81 -1.26 -0.48 117.12 122.17 3fwp n MET 1197Ca 0.00 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.29 3fwp n MET 1197Cb 0.00 -0.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 3fwp n MET 1197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3fwp n GLU 1198N -0.11 2.39 -0.08 0.03 4.71 -1.26 -3.39 120.64 122.94 3fwp n GLU 1198Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 3fwp n GLU 1198Cb 0.33 -0.80 0.14 0.00 -1.01 0.00 0.00 31.44 30.10 3fwp n GLU 1198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3fwp h SER 1199N 0.00 0.72 -0.46 1.62 4.64 -1.94 -1.56 113.55 116.58 3fwp h SER 1199Ca 0.00 -0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.17 3fwp h SER 1199Cb 0.30 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 3fwp h SER 1199CO 0.00 0.87 0.14 0.00 -0.87 0.00 0.00 176.83 176.96 3fwp h ALA 1200N 1.20 0.54 0.24 5.18 0.00 -1.86 0.36 119.26 124.91 3fwp h ALA 1200Ca 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3fwp h ALA 1200Cb 0.58 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3fwp h ALA 1200CO 0.04 -0.26 -0.12 1.15 0.00 0.00 0.00 179.25 180.06 3fwp h THR 1201N 0.29 0.81 -0.04 0.00 2.02 -1.87 -2.08 112.91 112.05 3fwp h THR 1201Ca 0.22 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.83 3fwp h THR 1201Cb 0.25 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 3fwp h THR 1201CO -0.25 0.13 -0.29 0.25 0.37 0.00 0.00 175.52 175.73 3fwp h LEU 1202N -0.65 -0.88 -0.39 2.58 5.85 -1.05 -0.85 115.31 119.92 3fwp h LEU 1202Ca -0.03 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3fwp h LEU 1202Cb 0.46 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3fwp h LEU 1202CO 0.05 -0.35 0.03 -0.07 -0.34 0.00 0.00 178.44 177.77 3fwp h LEU 1203N -0.42 0.64 0.02 2.25 3.38 -0.34 -1.90 115.31 118.94 3fwp h LEU 1203Ca 0.07 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3fwp h LEU 1203Cb 0.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3fwp h LEU 1203CO -0.27 0.76 -0.01 0.74 0.09 0.00 0.00 178.44 179.75 3fwp h THR 1204N 0.50 1.11 -0.01 0.22 2.02 -1.31 -0.31 112.91 115.13 3fwp h THR 1204Ca 0.11 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 3fwp h THR 1204Cb 0.41 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3fwp h THR 1204CO 0.01 0.10 -0.22 0.00 0.37 0.00 0.00 175.52 175.78 3fwp h MET 1205N -0.18 0.01 0.03 6.66 -0.00 -1.08 -1.42 114.93 118.95 3fwp h MET 1205Ca -0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.65 3fwp h MET 1205Cb 0.18 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.78 3fwp h MET 1205CO 0.00 0.23 -0.19 0.00 -0.00 0.00 0.00 176.91 176.96 3fwp h ALA 1207N 0.03 1.82 -0.29 0.00 0.00 -0.90 -1.59 119.26 118.32 3fwp h ALA 1207Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fwp h ALA 1207Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3fwp h ALA 1207CO 0.04 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 3fwp n SER 1208N -4.33 2.42 -0.40 0.00 3.41 -0.55 -4.30 113.62 109.87 3fwp n SER 1208Ca -0.03 -1.86 0.01 0.00 -0.26 0.00 0.00 58.87 56.74 3fwp n SER 1208Cb 0.13 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 3fwp n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fwp n GLN 1209N 0.82 0.17 -1.75 4.33 6.02 -0.76 -5.02 117.38 121.19 3fwp n GLN 1209Ca 0.17 -1.11 -0.10 0.00 -0.01 0.00 0.00 57.00 55.96 3fwp n GLN 1209Cb 0.44 -0.60 -0.02 0.00 1.02 0.00 0.00 30.24 31.07 3fwp n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fwp n GLY 1210N -0.15 0.54 3.65 1.08 0.00 -1.08 -5.02 105.19 104.21 3fwp n GLY 1210Ca 0.02 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3fwp n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 1211N -2.57 3.33 -0.11 0.99 1.43 -0.67 -5.05 118.68 116.02 3fwp s LEU 1211Ca 0.00 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 3fwp s LEU 1211Cb 0.00 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 3fwp s LEU 1211CO 0.00 0.22 0.34 -0.13 0.23 0.00 0.00 176.35 177.01 3fwp s ARG 1212N -1.98 4.12 -0.00 1.70 0.52 -0.12 -3.90 118.95 119.29 3fwp s ARG 1212Ca 0.22 0.22 -0.01 0.00 -0.52 0.00 0.00 55.73 55.64 3fwp s ARG 1212Cb -0.11 -3.36 -0.00 0.00 0.52 0.00 0.00 34.95 32.00 3fwp s ARG 1212CO 0.14 0.38 0.02 0.00 0.02 0.00 0.00 175.30 175.85 3fwp s ALA 1213N -0.00 -0.03 0.17 2.13 0.00 -1.26 -0.09 121.76 122.68 3fwp s ALA 1213Ca 0.20 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.16 3fwp s ALA 1213Cb -0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 3fwp s ALA 1213CO 0.07 -0.03 -0.05 0.20 0.00 0.00 0.00 175.76 175.96 3fwp s GLY 1214N -0.21 1.22 -0.02 0.00 0.00 -0.25 -0.65 107.32 107.41 3fwp s GLY 1214Ca -0.02 -1.58 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 3fwp s GLY 1214CO -0.00 -1.59 0.05 -0.29 0.00 0.00 0.00 173.10 171.27 3fwp s MET 1215N -3.83 -0.01 0.07 2.90 1.75 -1.26 -1.36 119.30 117.57 3fwp s MET 1215Ca 0.21 0.19 0.06 0.00 -1.25 0.00 0.00 55.69 54.90 3fwp s MET 1215Cb 0.04 -0.19 -0.03 0.00 2.84 0.00 0.00 34.83 37.49 3fwp s MET 1215CO 0.03 -0.14 -0.17 0.54 -0.65 0.00 0.00 175.02 174.63 3fwp s VAL 1216N 0.90 1.36 -0.03 10.11 0.11 -0.55 -1.26 120.40 131.05 3fwp s VAL 1216Ca -0.07 -1.29 -0.14 0.00 -2.93 0.00 0.00 61.98 57.55 3fwp s VAL 1216Cb -0.10 -1.25 0.02 0.00 -1.53 0.00 0.00 36.38 33.52 3fwp s VAL 1216CO -0.03 -0.06 0.31 0.00 -3.33 0.00 0.00 175.10 171.99 3fwp s ALA 1217N -1.08 -0.78 -0.07 1.54 0.00 -0.09 -1.37 121.76 119.92 3fwp s ALA 1217Ca 0.03 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 3fwp s ALA 1217Cb -0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 3fwp s ALA 1217CO 0.03 -0.24 0.28 0.20 0.00 0.00 0.00 175.76 176.03 3fwp s GLY 1218N -1.12 2.31 -0.42 0.00 0.00 -0.60 -0.37 107.32 107.12 3fwp s GLY 1218Ca -0.12 -0.42 -0.24 0.00 0.00 0.00 0.00 44.72 43.94 3fwp s GLY 1218CO 0.04 -0.00 0.84 0.14 0.00 0.00 0.00 173.10 174.11 3fwp s VAL 1219N -0.78 4.62 -0.14 1.40 1.01 -0.11 -0.32 120.40 126.07 3fwp s VAL 1219Ca 0.19 0.73 0.15 0.00 0.00 0.00 0.00 61.98 63.05 3fwp s VAL 1219Cb -0.14 -4.32 -0.22 0.00 0.00 0.00 0.00 36.38 31.69 3fwp s VAL 1219CO 0.08 -0.65 0.38 2.30 0.00 0.00 0.00 175.10 177.22 3fwp n ILE 1220N 6.10 0.00 -3.85 2.22 -5.35 -0.66 -0.20 119.36 117.62 3fwp n ILE 1220Ca 0.04 -0.31 -0.10 0.00 -0.27 0.00 0.00 62.75 62.11 3fwp n ILE 1220Cb 0.48 0.30 -0.08 0.00 -1.74 0.00 0.00 39.64 38.60 3fwp n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3fwp s VAL 1221N -2.94 0.12 -0.14 7.28 0.11 -1.23 -4.93 120.40 118.67 3fwp s VAL 1221Ca -0.04 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 3fwp s VAL 1221Cb 0.10 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3fwp s VAL 1221CO 0.63 -0.53 -0.13 0.21 -3.33 0.00 0.00 175.10 171.95 3fwp s ASN 1222N -2.24 2.58 0.61 3.54 3.84 -1.26 -1.29 114.94 120.72 3fwp s ASN 1222Ca -0.03 -0.45 0.35 0.00 0.21 0.00 0.00 52.86 52.94 3fwp s ASN 1222Cb 0.00 -1.10 2.01 0.00 -0.55 0.00 0.00 41.25 41.61 3fwp s ASN 1222CO -0.05 -0.07 2.28 0.03 -2.79 0.00 0.00 177.10 176.49 3fwp h ARG 1223N 8.08 0.00 0.00 0.43 2.47 -1.45 -2.55 114.38 121.36 3fwp h ARG 1223Ca -0.36 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 3fwp h ARG 1223Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 3fwp h ARG 1223CO 0.50 0.01 -0.78 0.25 0.56 0.00 0.00 179.97 180.51 3fwp n THR 1224N -3.52 0.34 -3.83 2.04 -2.24 -1.26 -4.93 114.28 100.88 3fwp n THR 1224Ca -0.03 -0.30 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 3fwp n THR 1224Cb 0.10 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 3fwp n THR 1224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fwp s GLN 1225N -3.20 3.49 0.06 -0.78 -0.21 -0.96 -5.04 119.66 113.02 3fwp s GLN 1225Ca 0.05 -0.38 -0.14 0.00 0.02 0.00 0.00 55.36 54.91 3fwp s GLN 1225Cb 0.13 -2.94 -0.29 0.00 1.00 0.00 0.00 33.01 30.90 3fwp s GLN 1225CO 0.75 0.52 1.09 1.96 -2.12 0.00 0.00 175.29 177.50 3fwp h GLN 1226N 2.62 0.57 -6.14 2.91 4.20 -1.92 -3.46 115.11 113.89 3fwp h GLN 1226Ca -0.46 -0.81 -0.56 0.00 0.06 0.00 0.00 58.65 56.88 3fwp h GLN 1226Cb 1.17 0.28 -0.05 0.00 0.30 0.00 0.00 27.48 29.18 3fwp h GLN 1226CO 0.72 1.37 0.09 -1.21 -0.67 0.00 0.00 178.83 179.13 3fwp s GLU 1227N -2.88 4.43 -0.80 1.46 2.02 -1.26 -5.17 118.70 116.50 3fwp s GLU 1227Ca -0.09 0.92 -0.04 0.00 0.02 0.00 0.00 54.97 55.78 3fwp s GLU 1227Cb 0.06 -3.40 0.20 0.00 0.10 0.00 0.00 34.13 31.09 3fwp s GLU 1227CO 0.93 0.20 0.68 0.42 0.02 0.00 0.00 175.26 177.51 3fwp s ILE 1228N 0.31 4.42 0.00 -1.63 1.01 -1.26 -4.82 121.20 119.22 3fwp s ILE 1228Ca 0.37 -3.32 0.00 0.00 0.00 0.00 0.00 60.65 57.69 3fwp s ILE 1228Cb -0.19 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3fwp s ILE 1228CO 0.20 -1.01 0.00 -0.62 0.00 0.00 0.00 174.94 173.50 3fwp n GLU 1232N 2.99 0.00 -3.36 2.79 4.71 -1.26 -5.16 120.64 121.35 3fwp n GLU 1232Ca 0.16 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.93 3fwp n GLU 1232Cb 0.39 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.76 3fwp n GLU 1232CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3fwp s THR 1233N 0.00 5.04 0.16 2.62 2.01 -1.26 -4.97 115.64 119.23 3fwp s THR 1233Ca 0.00 0.98 0.30 0.00 0.31 0.00 0.00 61.69 63.28 3fwp s THR 1233Cb 0.00 -3.80 0.33 0.00 0.01 0.00 0.00 72.50 69.04 3fwp s THR 1233CO 0.00 0.46 1.95 0.24 -0.69 0.00 0.00 174.62 176.58 3fwp h MET 1234N 5.57 0.00 0.00 4.92 0.00 -1.98 -2.22 114.93 121.22 3fwp h MET 1234Ca -0.46 0.00 -0.08 0.00 0.00 0.00 0.00 59.70 59.16 3fwp h MET 1234Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.79 3fwp h MET 1234CO 0.68 0.08 -0.38 0.87 0.00 0.00 0.00 176.91 178.17 3fwp h LYS 1235N 0.00 0.00 -0.18 1.72 1.79 -1.98 -1.37 116.57 116.55 3fwp h LYS 1235Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 3fwp h LYS 1235Cb 0.56 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3fwp h LYS 1235CO 0.01 0.38 -0.64 0.37 -1.08 0.00 0.00 179.45 178.49 3fwp h GLN 1236N 0.00 0.66 -0.04 3.15 4.15 -1.81 -1.48 115.11 119.74 3fwp h GLN 1236Ca -0.00 -0.47 -0.24 0.00 0.77 0.00 0.00 58.65 58.71 3fwp h GLN 1236Cb 1.07 0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.85 3fwp h GLN 1236CO 0.05 1.09 -0.93 1.15 -1.93 0.00 0.00 178.83 178.26 3fwp h THR 1237N 0.48 1.32 -0.25 2.39 2.02 -1.51 -2.70 112.91 114.68 3fwp h THR 1237Ca -0.01 -2.24 0.06 0.00 0.77 0.00 0.00 66.41 64.99 3fwp h THR 1237Cb 1.23 2.28 -0.07 0.00 -1.74 0.00 0.00 68.15 69.84 3fwp h THR 1237CO 0.13 0.69 -0.25 -0.08 0.37 0.00 0.00 175.52 176.37 3fwp h GLU 1238N 0.37 -0.24 -0.06 6.66 4.81 -1.25 -2.38 114.58 122.48 3fwp h GLU 1238Ca -0.09 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 3fwp h GLU 1238Cb 1.56 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 3fwp h GLU 1238CO 0.18 -0.16 -0.27 0.77 -0.73 0.00 0.00 179.01 178.80 3fwp h SER 1239N -0.25 0.10 0.25 1.04 0.02 -1.26 -0.07 113.55 113.39 3fwp h SER 1239Ca 0.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3fwp h SER 1239Cb 0.47 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3fwp h SER 1239CO -0.39 0.38 -0.12 -0.74 -1.14 0.00 0.00 176.83 174.81 3fwp h HIS 1240N 0.10 -0.31 -0.80 3.45 2.76 -1.27 -0.71 115.15 118.37 3fwp h HIS 1240Ca 0.01 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3fwp h HIS 1240Cb 0.53 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.55 3fwp h HIS 1240CO 0.00 -0.04 0.40 0.00 -1.30 0.00 0.00 177.93 176.99 3fwp h ALA 1241N 0.13 1.02 -0.47 5.26 0.00 -1.11 -2.04 119.26 122.05 3fwp h ALA 1241Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3fwp h ALA 1241Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3fwp h ALA 1241CO 0.06 0.57 0.21 0.28 0.00 0.00 0.00 179.25 180.36 3fwp h VAL 1242N 1.12 1.20 -0.96 0.00 2.07 -1.00 -1.16 116.25 117.51 3fwp h VAL 1242Ca 0.28 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.23 3fwp h VAL 1242Cb 0.09 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3fwp h VAL 1242CO -0.04 0.22 0.64 0.11 0.02 0.00 0.00 177.57 178.52 3fwp h LYS 1243N 0.61 1.26 -0.35 1.57 1.57 -0.92 -2.47 116.57 117.84 3fwp h LYS 1243Ca 0.16 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3fwp h LYS 1243Cb 0.15 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3fwp h LYS 1243CO -0.02 0.83 0.05 0.82 -0.57 0.00 0.00 179.45 180.57 3fwp h ILE 1244N 1.30 1.24 -0.45 1.86 2.04 -0.95 -1.20 117.51 121.35 3fwp h ILE 1244Ca 0.36 -0.84 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 3fwp h ILE 1244Cb -0.14 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3fwp h ILE 1244CO -0.08 0.28 0.00 1.62 0.00 0.00 0.00 178.15 179.98 3fwp h VAL 1245N 0.42 1.23 -0.17 1.67 3.04 -1.05 0.12 116.25 121.51 3fwp h VAL 1245Ca 0.11 -0.95 -0.04 0.00 -1.01 0.00 0.00 66.70 64.81 3fwp h VAL 1245Cb 0.36 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3fwp h VAL 1245CO 0.01 0.33 -0.06 0.58 -1.01 0.00 0.00 177.57 177.42 3fwp h VAL 1246N 0.69 1.30 -0.79 1.51 2.07 -1.37 -1.22 116.25 118.43 3fwp h VAL 1246Ca 0.14 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 3fwp h VAL 1246Cb 0.42 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 3fwp h VAL 1246CO 0.02 0.32 0.38 -0.08 0.02 0.00 0.00 177.57 178.22 3fwp h GLU 1247N 0.04 1.13 -0.51 1.57 4.57 -0.96 -2.52 114.58 117.89 3fwp h GLU 1247Ca 0.04 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 3fwp h GLU 1247Cb 0.52 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3fwp h GLU 1247CO 0.02 0.87 0.22 0.00 -1.18 0.00 0.00 179.01 178.94 3fwp h ALA 1248N 1.29 0.67 -0.81 2.92 0.00 -0.71 -2.79 119.26 119.83 3fwp h ALA 1248Ca 0.27 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3fwp h ALA 1248Cb 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3fwp h ALA 1248CO -0.03 0.26 0.53 0.00 0.00 0.00 0.00 179.25 180.01 3fwp h ALA 1249N 1.06 1.80 -0.77 0.00 0.00 -0.81 -1.53 119.26 119.02 3fwp h ALA 1249Ca 0.17 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.23 3fwp h ALA 1249Cb 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3fwp h ALA 1249CO -0.02 0.02 0.51 0.00 0.00 0.00 0.00 179.25 179.76 3fwp h ARG 1250N 0.70 0.43 -0.01 0.00 3.08 -1.19 -1.78 114.38 115.61 3fwp h ARG 1250Ca 0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3fwp h ARG 1250Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3fwp h ARG 1250CO -0.15 0.28 -0.17 0.54 -1.07 0.00 0.00 179.97 179.40 3fwp n ARG 1251N -4.49 0.79 -0.09 0.04 1.74 -0.58 -3.85 116.66 110.23 3fwp n ARG 1251Ca 0.15 -0.37 0.04 0.00 -0.77 0.00 0.00 57.85 56.89 3fwp n ARG 1251Cb 0.53 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.56 3fwp n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fwp n LEU 1252N -0.78 2.37 -0.26 0.55 4.77 -0.67 -5.04 117.00 117.93 3fwp n LEU 1252Ca 0.14 -1.74 0.15 0.00 -0.03 0.00 0.00 56.01 54.53 3fwp n LEU 1252Cb 0.31 -0.12 0.72 0.00 -2.33 0.00 0.00 43.42 42.00 3fwp n LEU 1252CO 0.24 0.57 0.98 0.18 -1.33 0.00 0.00 177.39 178.03