#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfs s THR 1004N 0.00 5.14 -0.04 6.31 2.01 -1.26 -5.01 115.64 122.79 1vfs s THR 1004Ca 0.00 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.17 1vfs s THR 1004Cb 0.00 -4.08 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 1vfs s THR 1004CO 0.00 -0.50 0.56 -2.65 -0.69 0.00 0.00 174.62 171.34 1vfs n PRO 1005N 5.48 0.00 0.09 4.92 -0.02 -1.26 -4.86 135.00 139.35 1vfs n PRO 1005Ca -0.09 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1vfs n PRO 1005Cb 0.46 -0.72 0.11 0.00 -0.02 0.00 0.00 33.50 33.33 1vfs n PRO 1005CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1vfs h THR 1006N 1.60 0.00 0.00 3.45 1.35 -1.99 -3.41 112.91 113.91 1vfs h THR 1006Ca -0.24 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1vfs h THR 1006Cb 0.68 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1vfs h THR 1006CO 0.34 0.00 -0.38 -1.14 -0.25 0.00 0.00 175.52 174.09 1vfs n ARG 1007N -2.41 0.26 -3.56 4.72 0.63 -1.26 -4.14 116.66 110.90 1vfs n ARG 1007Ca 0.02 0.28 -0.15 0.00 -0.92 0.00 0.00 57.85 57.09 1vfs n ARG 1007Cb 0.49 -1.15 -0.05 0.00 0.45 0.00 0.00 32.46 32.19 1vfs n ARG 1007CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1vfs s VAL 1008N -1.81 0.02 0.02 5.15 0.11 -1.26 -1.26 120.40 121.37 1vfs s VAL 1008Ca -0.11 -0.16 -0.28 0.00 -2.93 0.00 0.00 61.98 58.50 1vfs s VAL 1008Cb 0.02 -0.96 0.08 0.00 -1.53 0.00 0.00 36.38 33.99 1vfs s VAL 1008CO 0.16 -0.09 0.74 -0.72 -3.33 0.00 0.00 175.10 171.86 1vfs s TYR 1009N -2.11 -0.51 -0.35 1.54 1.13 -0.34 -4.38 117.35 112.33 1vfs s TYR 1009Ca -0.07 0.58 -0.09 0.00 -1.41 0.00 0.00 57.07 56.08 1vfs s TYR 1009Cb -0.01 0.50 0.02 0.00 -1.10 0.00 0.00 41.96 41.37 1vfs s TYR 1009CO 0.01 -0.65 0.16 0.00 -2.51 0.00 0.00 175.55 172.57 1vfs s ALA 1010N -2.52 3.22 -0.34 9.51 0.00 0.11 -2.04 121.76 129.69 1vfs s ALA 1010Ca -0.02 -1.62 -0.24 0.00 0.00 0.00 0.00 51.96 50.07 1vfs s ALA 1010Cb -0.01 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.68 1vfs s ALA 1010CO -0.03 -1.22 0.85 -2.00 0.00 0.00 0.00 175.76 173.35 1vfs s GLU 1011N 1.54 3.87 -0.25 0.00 2.12 0.39 -0.51 118.70 125.87 1vfs s GLU 1011Ca 0.02 0.54 -0.07 0.00 0.36 0.00 0.00 54.97 55.81 1vfs s GLU 1011Cb -0.19 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.40 1vfs s GLU 1011CO 0.05 -0.82 0.07 0.42 -0.54 0.00 0.00 175.26 174.45 1vfs s ILE 1012N 3.20 4.38 -0.54 -3.70 -1.09 0.16 -1.27 121.20 122.34 1vfs s ILE 1012Ca 0.35 -0.15 -0.19 0.00 -2.23 0.00 0.00 60.65 58.43 1vfs s ILE 1012Cb -0.13 -3.04 0.08 0.00 -1.58 0.00 0.00 42.46 37.78 1vfs s ILE 1012CO 0.16 0.34 0.64 -0.62 -1.23 0.00 0.00 174.94 174.23 1vfs s ASP 1013N 1.53 6.20 0.00 3.58 2.15 -0.14 -1.29 116.67 128.70 1vfs s ASP 1013Ca 0.06 -1.19 0.16 0.00 0.43 0.00 0.00 52.55 52.02 1vfs s ASP 1013Cb -0.15 -2.28 0.78 0.00 -0.30 0.00 0.00 42.92 40.97 1vfs s ASP 1013CO 0.04 -0.96 1.50 0.18 -0.17 0.00 0.00 175.17 175.75 1vfs n LEU 1014N 6.14 0.00 0.04 -1.34 4.32 0.63 -2.25 117.00 124.53 1vfs n LEU 1014Ca -0.08 0.37 -0.03 0.00 -0.02 0.00 0.00 56.01 56.24 1vfs n LEU 1014Cb 0.44 -0.37 -0.09 0.00 -1.62 0.00 0.00 43.42 41.78 1vfs n LEU 1014CO 0.55 -0.17 -0.15 0.44 -1.22 0.00 0.00 177.39 176.85 1vfs h ASP 1015N 0.00 0.00 0.12 -1.43 3.32 -1.86 -2.88 116.42 113.70 1vfs h ASP 1015Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1vfs h ASP 1015Cb 0.21 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1vfs h ASP 1015CO 0.00 0.76 -0.88 0.00 -1.72 0.00 0.00 179.24 177.40 1vfs h ALA 1016N 1.24 0.35 0.48 3.45 0.00 -1.78 -2.60 119.26 120.40 1vfs h ALA 1016Ca -0.14 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 1vfs h ALA 1016Cb 1.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1vfs h ALA 1016CO 0.07 0.74 -0.23 0.28 0.00 0.00 0.00 179.25 180.12 1vfs h VAL 1017N 0.36 0.53 -0.77 0.00 2.07 -1.58 -1.11 116.25 115.74 1vfs h VAL 1017Ca -0.07 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1vfs h VAL 1017Cb 1.50 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1vfs h VAL 1017CO 0.16 0.01 0.51 0.03 0.02 0.00 0.00 177.57 178.30 1vfs h ARG 1018N -0.67 0.89 -0.14 1.57 3.08 -1.57 -1.66 114.38 115.89 1vfs h ARG 1018Ca -0.07 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 1vfs h ARG 1018Cb 0.51 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1vfs h ARG 1018CO 0.11 0.59 -0.50 0.00 -1.07 0.00 0.00 179.97 179.10 1vfs h ALA 1019N 1.56 0.89 -0.27 0.04 0.00 -1.29 -2.47 119.26 117.72 1vfs h ALA 1019Ca 0.31 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1vfs h ALA 1019Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1vfs h ALA 1019CO -0.09 0.66 -0.39 -0.91 0.00 0.00 0.00 179.25 178.51 1vfs h ASN 1020N 0.30 0.66 0.92 0.00 2.35 -0.31 -1.47 115.58 118.03 1vfs h ASN 1020Ca 0.01 -0.29 -0.11 0.00 -0.55 0.00 0.00 56.30 55.37 1vfs h ASN 1020Cb 0.98 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1vfs h ASN 1020CO 0.08 0.98 -0.50 1.62 -1.65 0.00 0.00 177.43 177.96 1vfs h VAL 1021N 0.51 1.07 -0.09 2.81 3.04 -1.26 -0.37 116.25 121.96 1vfs h VAL 1021Ca 0.04 -1.93 -0.23 0.00 -1.01 0.00 0.00 66.70 63.57 1vfs h VAL 1021Cb 0.91 2.14 0.01 0.00 -2.01 0.00 0.00 31.29 32.34 1vfs h VAL 1021CO 0.08 0.49 -0.86 0.03 -1.01 0.00 0.00 177.57 176.30 1vfs h ARG 1022N 0.00 0.75 -0.03 4.17 3.08 -1.26 -1.08 114.38 120.01 1vfs h ARG 1022Ca -0.01 -0.68 -0.09 0.00 0.07 0.00 0.00 59.98 59.27 1vfs h ARG 1022Cb 1.10 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1vfs h ARG 1022CO 0.07 1.27 -0.41 0.00 -1.07 0.00 0.00 179.97 179.83 1vfs h ALA 1023N 0.49 1.26 0.04 0.04 0.00 -1.10 -2.37 119.26 117.62 1vfs h ALA 1023Ca -0.08 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 1vfs h ALA 1023Cb 1.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1vfs h ALA 1023CO 0.17 0.54 -1.08 -0.07 0.00 0.00 0.00 179.25 178.81 1vfs h LEU 1024N 0.05 0.14 -0.72 0.00 3.38 -1.00 -3.09 115.31 114.07 1vfs h LEU 1024Ca 0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1vfs h LEU 1024Cb 0.75 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1vfs h LEU 1024CO 0.06 1.12 0.07 0.03 0.09 0.00 0.00 178.44 179.80 1vfs h ARG 1025N 0.02 1.05 -0.05 1.13 3.08 -0.91 -2.52 114.38 116.18 1vfs h ARG 1025Ca -0.05 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 1vfs h ARG 1025Cb 1.84 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.76 1vfs h ARG 1025CO 0.15 0.98 -0.16 0.00 -1.07 0.00 0.00 179.97 179.88 1vfs h ALA 1026N 1.09 1.64 -0.36 0.04 0.00 -1.44 -2.60 119.26 117.63 1vfs h ALA 1026Ca 0.19 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1vfs h ALA 1026Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1vfs h ALA 1026CO 0.02 0.26 -0.26 -0.09 0.00 0.00 0.00 179.25 179.18 1vfs h ARG 1027N 0.08 0.73 -2.21 0.00 9.65 -1.37 -3.30 114.38 117.96 1vfs h ARG 1027Ca 0.02 -0.31 -0.59 0.00 -1.10 0.00 0.00 59.98 57.99 1vfs h ARG 1027Cb 0.33 -0.03 -0.42 0.00 -1.39 0.00 0.00 29.97 28.46 1vfs h ARG 1027CO 0.02 0.91 -0.63 0.00 2.80 0.00 0.00 179.97 183.08 1vfs n ALA 1028N -2.50 4.16 0.14 2.80 0.00 -1.00 -4.94 120.51 119.17 1vfs n ALA 1028Ca -0.00 -4.71 0.19 0.00 0.00 0.00 0.00 53.44 48.92 1vfs n ALA 1028Cb 0.45 -0.85 0.78 0.00 0.00 0.00 0.00 19.45 19.82 1vfs n ALA 1028CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1vfs h PRO 1029N 3.85 0.00 -0.07 0.00 0.13 -1.59 -2.46 132.00 131.86 1vfs h PRO 1029Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1vfs h PRO 1029Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1vfs h PRO 1029CO 0.82 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.13 1vfs n ARG 1030N -3.70 2.22 -4.55 0.86 1.74 -1.26 -4.98 116.66 106.99 1vfs n ARG 1030Ca 0.05 -1.78 -0.26 0.00 -0.77 0.00 0.00 57.85 55.09 1vfs n ARG 1030Cb 0.51 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.38 1vfs n ARG 1030CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1vfs s SER 1031N -1.94 3.61 0.41 0.55 0.01 -0.93 -4.88 113.70 110.52 1vfs s SER 1031Ca 0.31 -1.26 -0.08 0.00 1.31 0.00 0.00 55.95 56.23 1vfs s SER 1031Cb 0.20 -0.33 -0.05 0.00 0.21 0.00 0.00 66.02 66.05 1vfs s SER 1031CO 0.31 -0.31 0.74 0.00 0.41 0.00 0.00 173.24 174.38 1vfs s ALA 1032N -2.72 3.41 -0.17 1.44 0.00 0.75 -4.94 121.76 119.52 1vfs s ALA 1032Ca 0.33 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1vfs s ALA 1032Cb 0.05 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 1vfs s ALA 1032CO 0.16 -0.06 -0.04 -1.17 0.00 0.00 0.00 175.76 174.65 1vfs s LEU 1033N -4.05 3.12 -0.28 0.00 1.98 -1.26 -1.94 118.68 116.25 1vfs s LEU 1033Ca 0.49 -0.22 -0.06 0.00 -2.89 0.00 0.00 54.13 51.45 1vfs s LEU 1033Cb -0.10 -1.76 0.01 0.00 0.66 0.00 0.00 46.19 44.99 1vfs s LEU 1033CO 0.35 0.11 0.06 -0.32 -1.89 0.00 0.00 176.35 174.65 1vfs s MET 1034N 0.71 3.13 -0.38 1.98 -2.45 -0.11 -1.56 119.30 120.62 1vfs s MET 1034Ca -0.02 -0.82 -0.24 0.00 -1.25 0.00 0.00 55.69 53.36 1vfs s MET 1034Cb -0.15 -3.30 0.01 0.00 1.25 0.00 0.00 34.83 32.65 1vfs s MET 1034CO 0.02 -0.40 0.83 0.00 1.05 0.00 0.00 175.02 176.52 1vfs s ALA 1035N 1.49 3.39 -0.33 4.11 0.00 -0.76 -1.09 121.76 128.57 1vfs s ALA 1035Ca 0.03 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 51.07 1vfs s ALA 1035Cb -0.17 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1vfs s ALA 1035CO 0.01 -1.61 0.92 0.08 0.00 0.00 0.00 175.76 175.16 1vfs s VAL 1036N 3.26 4.64 -0.22 0.00 1.01 -0.56 -1.82 120.40 126.71 1vfs s VAL 1036Ca 0.33 1.35 0.12 0.00 0.00 0.00 0.00 61.98 63.79 1vfs s VAL 1036Cb -0.13 -4.29 0.44 0.00 0.00 0.00 0.00 36.38 32.41 1vfs s VAL 1036CO 0.19 -0.41 1.31 1.33 0.00 0.00 0.00 175.10 177.52 1vfs n VAL 1037N 5.77 2.28 -0.96 2.92 0.24 0.24 -4.55 118.33 124.26 1vfs n VAL 1037Ca 0.07 -2.75 -0.29 0.00 -2.04 0.00 0.00 64.34 59.34 1vfs n VAL 1037Cb 0.48 -0.27 0.20 0.00 -1.47 0.00 0.00 33.84 32.78 1vfs n VAL 1037CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1vfs s LYS 1038N -3.13 -0.03 -1.42 7.34 0.00 -1.23 -0.91 119.74 120.36 1vfs s LYS 1038Ca 0.40 0.62 -0.06 0.00 0.00 0.00 0.00 55.97 56.93 1vfs s LYS 1038Cb 0.36 -1.67 0.04 0.00 0.00 0.00 0.00 37.83 36.56 1vfs s LYS 1038CO -0.01 -3.07 0.79 0.43 0.00 0.00 0.00 175.35 173.49 1vfs n SER 1039N -4.43 -2.63 -3.02 0.03 7.64 -1.26 -0.93 113.62 109.02 1vfs n SER 1039Ca 0.04 -0.83 -0.21 0.00 1.01 0.00 0.00 58.87 58.89 1vfs n SER 1039Cb 0.56 -3.86 0.05 0.00 -1.01 0.00 0.00 64.21 59.96 1vfs n SER 1039CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1vfs n ASN 1040N -2.95 -5.83 -3.29 6.43 5.15 -1.25 -2.03 115.26 111.49 1vfs n ASN 1040Ca -0.15 -0.38 -0.16 0.00 -0.60 0.00 0.00 54.58 53.29 1vfs n ASN 1040Cb 0.61 -4.54 0.08 0.00 -0.53 0.00 0.00 39.78 35.40 1vfs n ASN 1040CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vfs n ALA 1041N -4.11 -1.95 -3.61 5.20 0.00 -0.09 -0.29 120.51 115.67 1vfs n ALA 1041Ca -0.04 -0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 1vfs n ALA 1041Cb 0.58 -2.56 0.02 0.00 0.00 0.00 0.00 19.45 17.49 1vfs n ALA 1041CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vfs n TYR 1042N -3.90 -2.08 -0.55 0.00 4.02 -0.25 -1.51 117.16 112.89 1vfs n TYR 1042Ca -0.26 0.71 0.00 0.00 -0.01 0.00 0.00 57.90 58.34 1vfs n TYR 1042Cb 0.66 -3.71 0.00 0.00 -0.02 0.00 0.00 39.34 36.27 1vfs n TYR 1042CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vfs n GLY 1043N -1.50 0.96 0.00 2.72 0.00 -0.86 -3.28 105.19 103.24 1vfs n GLY 1043Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1vfs n GLY 1043CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vfs n HIS 1044N -2.00 0.04 0.00 1.61 8.25 -0.57 -4.95 115.22 117.60 1vfs n HIS 1044Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1vfs n HIS 1044Cb 0.00 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1vfs n HIS 1044CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vfs n GLY 1045N 1.48 1.39 0.04 -1.41 0.00 0.61 -4.81 105.19 102.49 1vfs n GLY 1045Ca 0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 1vfs n GLY 1045CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vfs h ALA 1046N 0.00 -0.42 0.20 4.61 0.00 -1.82 -2.67 119.26 119.17 1vfs h ALA 1046Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1vfs h ALA 1046Cb 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1vfs h ALA 1046CO 0.00 -0.44 -0.32 0.28 0.00 0.00 0.00 179.25 178.77 1vfs h VAL 1047N -0.04 0.32 -0.58 0.00 2.07 -1.93 -0.02 116.25 116.06 1vfs h VAL 1047Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1vfs h VAL 1047Cb 0.05 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.04 1vfs h VAL 1047CO -0.04 0.00 0.06 -0.65 0.02 0.00 0.00 177.57 176.96 1vfs h PRO 1048N -0.60 0.17 -0.03 1.57 0.11 -1.65 0.13 132.00 131.69 1vfs h PRO 1048Ca 0.01 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1vfs h PRO 1048Cb 0.59 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1vfs h PRO 1048CO -0.14 0.11 -0.45 0.00 -0.21 0.00 0.00 178.00 177.31 1vfs h ALA 1050N 1.48 0.50 -0.34 0.00 0.00 0.08 -0.58 119.26 120.40 1vfs h ALA 1050Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1vfs h ALA 1050Cb 0.83 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1vfs h ALA 1050CO 0.06 0.70 -0.13 0.00 0.00 0.00 0.00 179.25 179.88 1vfs h ARG 1051N 0.49 0.69 -0.44 0.00 3.08 -0.84 -1.69 114.38 115.67 1vfs h ARG 1051Ca -0.02 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 1vfs h ARG 1051Cb 1.26 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1vfs h ARG 1051CO 0.13 0.88 0.05 0.00 -1.07 0.00 0.00 179.97 179.96 1vfs h ALA 1052N 0.79 0.59 -0.02 0.04 0.00 -1.19 -1.74 119.26 117.73 1vfs h ALA 1052Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1vfs h ALA 1052Cb 0.66 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1vfs h ALA 1052CO 0.04 0.32 0.01 0.00 0.00 0.00 0.00 179.25 179.63 1vfs h ALA 1053N 0.93 0.02 -0.93 0.00 0.00 -1.06 -0.89 119.26 117.34 1vfs h ALA 1053Ca 0.13 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1vfs h ALA 1053Cb 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1vfs h ALA 1053CO 0.01 -0.46 0.61 0.37 0.00 0.00 0.00 179.25 179.78 1vfs h GLN 1054N -0.01 1.06 -0.23 0.00 4.15 -1.26 -1.37 115.11 117.45 1vfs h GLN 1054Ca 0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1vfs h GLN 1054Cb 0.03 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1vfs h GLN 1054CO -0.00 0.70 0.14 1.49 -1.93 0.00 0.00 178.83 179.23 1vfs h GLU 1055N 1.09 0.31 0.00 1.69 4.22 -0.64 -2.15 114.58 119.10 1vfs h GLU 1055Ca 0.39 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.81 1vfs h GLU 1055Cb 0.15 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1vfs h GLU 1055CO -0.14 0.22 0.00 0.00 -2.18 0.00 0.00 179.01 176.91 1vfs n ALA 1056N -2.17 1.99 0.00 2.92 0.00 -0.40 -4.81 120.51 118.03 1vfs n ALA 1056Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1vfs n ALA 1056Cb 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1vfs n ALA 1056CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vfs n GLY 1057N 0.10 1.74 3.68 0.00 0.00 -0.81 -4.57 105.19 105.33 1vfs n GLY 1057Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1vfs n GLY 1057CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vfs s ALA 1058N -2.00 3.53 0.09 4.61 0.00 -0.57 -4.75 121.76 122.68 1vfs s ALA 1058Ca 0.00 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.47 1vfs s ALA 1058Cb 0.00 -3.53 -0.25 0.00 0.00 0.00 0.00 23.12 19.35 1vfs s ALA 1058CO 0.00 -0.85 1.20 0.00 0.00 0.00 0.00 175.76 176.11 1vfs h ALA 1059N 7.54 0.24 -2.13 0.00 0.00 -1.63 -3.41 119.26 119.87 1vfs h ALA 1059Ca -0.30 -0.91 -0.47 0.00 0.00 0.00 0.00 54.91 53.22 1vfs h ALA 1059Cb 1.14 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 1vfs h ALA 1059CO 0.90 1.13 -0.69 -1.58 0.00 0.00 0.00 179.25 179.01 1vfs s TRP 1060N -2.68 1.85 -0.03 0.00 0.52 -0.77 -4.04 118.94 113.79 1vfs s TRP 1060Ca -0.02 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.44 1vfs s TRP 1060Cb 0.09 -1.00 0.01 0.00 -1.15 0.00 0.00 33.47 31.41 1vfs s TRP 1060CO 0.85 0.28 -0.07 -0.51 0.02 0.00 0.00 176.95 177.51 1vfs s LEU 1061N -3.39 1.68 0.00 2.99 1.43 -0.71 -1.83 118.68 118.85 1vfs s LEU 1061Ca 0.27 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1vfs s LEU 1061Cb 0.03 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 1vfs s LEU 1061CO 0.10 0.03 -0.14 -0.83 0.23 0.00 0.00 176.35 175.74 1vfs s GLY 1062N 0.38 0.73 0.21 -3.19 0.00 -0.75 -0.90 107.32 103.80 1vfs s GLY 1062Ca -0.06 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1vfs s GLY 1062CO 0.00 -0.60 0.07 -0.51 0.00 0.00 0.00 173.10 172.07 1vfs s THR 1063N -0.48 0.44 -0.16 0.90 -4.23 -0.27 -0.59 115.64 111.25 1vfs s THR 1063Ca 0.05 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 1vfs s THR 1063Cb -0.06 -2.42 -0.11 0.00 1.34 0.00 0.00 72.50 71.25 1vfs s THR 1063CO 0.00 -0.17 0.09 0.00 -0.54 0.00 0.00 174.62 174.00 1vfs h ALA 1064N 2.55 0.09 -2.42 3.99 0.00 -1.95 -3.15 119.26 118.37 1vfs h ALA 1064Ca -0.37 -0.68 -0.52 0.00 0.00 0.00 0.00 54.91 53.34 1vfs h ALA 1064Cb 1.23 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1vfs h ALA 1064CO 0.60 0.45 -0.15 0.95 0.00 0.00 0.00 179.25 181.09 1vfs s THR 1065N -2.18 5.04 0.20 0.00 -4.23 -1.26 0.81 115.64 114.02 1vfs s THR 1065Ca -0.18 -0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.23 1vfs s THR 1065Cb 0.03 -3.74 0.14 0.00 1.34 0.00 0.00 72.50 70.26 1vfs s THR 1065CO 0.37 -0.33 1.78 -0.65 -0.54 0.00 0.00 174.62 175.24 1vfs h PRO 1066N 1.62 1.10 -0.57 3.99 0.11 -1.94 -2.57 132.00 133.74 1vfs h PRO 1066Ca -0.48 -0.18 0.10 0.00 0.11 0.00 0.00 66.00 65.55 1vfs h PRO 1066Cb 1.19 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.04 1vfs h PRO 1066CO 0.66 0.88 0.14 0.93 -0.21 0.00 0.00 178.00 180.40 1vfs h GLU 1067N 1.06 0.28 -0.93 1.05 3.07 -1.96 0.91 114.58 118.06 1vfs h GLU 1067Ca 0.25 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.10 1vfs h GLU 1067Cb 0.17 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 27.97 1vfs h GLU 1067CO -0.03 0.18 0.62 0.93 -1.40 0.00 0.00 179.01 179.31 1vfs h GLU 1068N 0.28 1.23 -0.27 2.33 5.08 -1.87 -1.73 114.58 119.63 1vfs h GLU 1068Ca 0.30 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 1vfs h GLU 1068Cb 0.41 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1vfs h GLU 1068CO -0.36 0.81 -0.48 0.00 -1.00 0.00 0.00 179.01 177.98 1vfs h ALA 1069N 1.34 0.63 0.00 3.43 0.00 -0.97 -3.03 119.26 120.67 1vfs h ALA 1069Ca 0.34 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1vfs h ALA 1069Cb -0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1vfs h ALA 1069CO -0.07 0.68 -0.41 -0.07 0.00 0.00 0.00 179.25 179.37 1vfs h LEU 1070N 0.59 0.00 -1.04 0.00 3.38 -0.59 -2.51 115.31 115.14 1vfs h LEU 1070Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1vfs h LEU 1070Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1vfs h LEU 1070CO 0.10 0.41 -0.48 -0.08 0.09 0.00 0.00 178.44 178.49 1vfs h GLU 1071N 0.00 0.01 -0.20 1.13 4.81 -1.21 -0.23 114.58 118.89 1vfs h GLU 1071Ca -0.00 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1vfs h GLU 1071Cb 0.73 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1vfs h GLU 1071CO 0.05 0.49 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.49 1vfs h LEU 1072N 0.01 0.58 -0.35 1.64 3.38 -1.35 -2.43 115.31 116.78 1vfs h LEU 1072Ca -0.00 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1vfs h LEU 1072Cb 0.85 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1vfs h LEU 1072CO 0.06 0.96 0.11 0.03 0.09 0.00 0.00 178.44 179.70 1vfs h ARG 1073N 0.20 0.54 -0.07 1.13 2.47 -1.31 -1.65 114.38 115.70 1vfs h ARG 1073Ca 0.03 -0.12 0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1vfs h ARG 1073Cb 0.82 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1vfs h ARG 1073CO 0.06 0.57 0.10 0.00 0.56 0.00 0.00 179.97 181.26 1vfs h ALA 1074N 0.95 1.49 -0.25 0.04 0.00 -1.02 0.17 119.26 120.65 1vfs h ALA 1074Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vfs h ALA 1074Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1vfs h ALA 1074CO -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1vfs n ALA 1075N -2.23 2.48 -0.84 0.00 0.00 -0.65 -4.90 120.51 114.37 1vfs n ALA 1075Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1vfs n ALA 1075Cb 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1vfs n ALA 1075CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vfs n GLY 1076N 1.01 0.67 3.70 0.00 0.00 0.61 -5.02 105.19 106.17 1vfs n GLY 1076Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1vfs n GLY 1076CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vfs s ILE 1077N -2.47 4.05 0.50 -0.61 1.01 -1.03 -5.03 121.20 117.61 1vfs s ILE 1077Ca 0.00 1.44 0.08 0.00 0.00 0.00 0.00 60.65 62.17 1vfs s ILE 1077Cb 0.00 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1vfs s ILE 1077CO 0.00 0.07 0.56 -1.10 0.00 0.00 0.00 174.94 174.46 1vfs s GLN 1078N 1.53 2.45 0.00 2.79 -0.21 -1.26 -4.52 119.66 120.44 1vfs s GLN 1078Ca 0.59 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 54.34 1vfs s GLN 1078Cb -0.28 -2.48 0.00 0.00 1.00 0.00 0.00 33.01 31.25 1vfs s GLN 1078CO 0.27 -0.52 0.00 0.41 -2.12 0.00 0.00 175.29 173.33 1vfs n GLY 1079N -1.88 0.76 3.73 3.09 0.00 -1.26 -4.98 105.19 104.65 1vfs n GLY 1079Ca 0.07 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 1vfs n GLY 1079CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vfs s ARG 1080N -1.36 4.45 -0.01 1.61 1.81 -1.26 -4.99 118.95 119.20 1vfs s ARG 1080Ca 0.00 1.91 0.01 0.00 -1.72 0.00 0.00 55.73 55.94 1vfs s ARG 1080Cb 0.00 -3.24 0.00 0.00 -0.45 0.00 0.00 34.95 31.26 1vfs s ARG 1080CO 0.00 -0.17 -0.04 0.42 -0.68 0.00 0.00 175.30 174.83 1vfs s ILE 1081N 0.19 0.39 0.02 1.52 1.01 -1.26 -1.73 121.20 121.33 1vfs s ILE 1081Ca 0.55 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 61.07 1vfs s ILE 1081Cb -0.33 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 1vfs s ILE 1081CO 0.36 0.13 -0.13 -0.32 0.00 0.00 0.00 174.94 174.98 1vfs s MET 1082N 0.11 0.91 0.04 2.79 -2.45 -0.08 -1.23 119.30 119.39 1vfs s MET 1082Ca -0.01 -0.60 0.02 0.00 -1.25 0.00 0.00 55.69 53.86 1vfs s MET 1082Cb -0.05 -0.89 -0.02 0.00 1.25 0.00 0.00 34.83 35.12 1vfs s MET 1082CO -0.00 0.23 -0.08 0.00 1.05 0.00 0.00 175.02 176.21 1vfs n TRP 1084N 1.58 0.00 -3.04 0.00 2.14 -1.03 -2.46 117.44 114.63 1vfs n TRP 1084Ca -0.22 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 58.91 1vfs n TRP 1084Cb 0.55 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 31.01 1vfs n TRP 1084CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 1vfs s LEU 1085N -1.23 5.28 0.18 5.67 2.96 0.24 -4.73 118.68 127.05 1vfs s LEU 1085Ca 0.00 -1.69 0.09 0.00 -0.22 0.00 0.00 54.13 52.30 1vfs s LEU 1085Cb 0.00 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1vfs s LEU 1085CO 0.00 -1.09 -0.09 0.26 -1.32 0.00 0.00 176.35 174.11 1vfs s TRP 1086N 2.62 2.65 0.04 5.38 0.52 -1.26 -4.41 118.94 124.48 1vfs s TRP 1086Ca 0.20 -0.21 0.04 0.00 0.02 0.00 0.00 56.10 56.15 1vfs s TRP 1086Cb -0.15 -1.30 -0.02 0.00 -1.15 0.00 0.00 33.47 30.85 1vfs s TRP 1086CO 0.00 0.51 -0.11 0.95 0.02 0.00 0.00 176.95 178.32 1vfs s THR 1087N -1.69 0.85 0.13 2.01 -4.23 -1.26 -5.09 115.64 106.35 1vfs s THR 1087Ca 0.25 -0.96 -0.35 0.00 -1.18 0.00 0.00 61.69 59.44 1vfs s THR 1087Cb -0.09 -0.81 -0.16 0.00 1.34 0.00 0.00 72.50 72.78 1vfs s THR 1087CO 0.15 -0.13 1.36 -2.65 -0.54 0.00 0.00 174.62 172.81 1vfs n PRO 1088N 1.82 1.40 -0.35 3.99 -0.02 -1.26 -2.06 135.00 138.52 1vfs n PRO 1088Ca -0.19 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1vfs n PRO 1088Cb 0.55 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1vfs n PRO 1088CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vfs n GLY 1089N 2.58 0.81 3.80 -1.23 0.00 -1.26 -5.08 105.19 104.81 1vfs n GLY 1089Ca 0.17 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1vfs n GLY 1089CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vfs s GLY 1090N -2.13 1.58 -1.17 -0.02 0.00 -0.87 -4.91 107.32 99.80 1vfs s GLY 1090Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 1vfs s GLY 1090CO 0.00 0.01 2.39 -1.55 0.00 0.00 0.00 173.10 173.95 1vfs n PRO 1091N -3.74 2.62 0.14 2.90 -0.04 -1.26 -4.70 135.00 130.93 1vfs n PRO 1091Ca 0.07 -1.77 -0.13 0.00 -0.04 0.00 0.00 63.50 61.62 1vfs n PRO 1091Cb 0.59 -2.63 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 1vfs n PRO 1091CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1vfs h TRP 1092N 5.95 -0.66 -0.76 0.54 4.06 -1.93 -2.01 115.95 121.13 1vfs h TRP 1092Ca 0.62 0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.72 1vfs h TRP 1092Cb 0.25 0.27 -0.09 0.00 -1.00 0.00 0.00 29.16 28.58 1vfs h TRP 1092CO 1.88 -0.36 0.33 -0.09 -3.56 0.00 0.00 178.44 176.63 1vfs h ARG 1093N -0.49 0.47 -0.47 0.49 2.43 -1.84 0.06 114.38 115.04 1vfs h ARG 1093Ca 0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1vfs h ARG 1093Cb 0.49 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1vfs h ARG 1093CO -0.10 0.31 0.28 0.93 -1.51 0.00 0.00 179.97 179.89 1vfs h GLU 1094N 0.48 0.63 -0.69 0.20 3.07 -1.87 -1.70 114.58 114.70 1vfs h GLU 1094Ca 0.41 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1vfs h GLU 1094Cb 0.60 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 1vfs h GLU 1094CO -0.38 0.46 0.40 0.00 -1.40 0.00 0.00 179.01 178.09 1vfs h ALA 1095N 1.14 0.87 -0.16 3.43 0.00 -0.42 -2.23 119.26 121.90 1vfs h ALA 1095Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1vfs h ALA 1095Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1vfs h ALA 1095CO -0.03 0.36 0.04 0.82 0.00 0.00 0.00 179.25 180.44 1vfs h ILE 1096N 0.93 1.19 0.00 0.00 2.04 -0.81 -0.79 117.51 120.08 1vfs h ILE 1096Ca 0.24 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1vfs h ILE 1096Cb -0.01 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1vfs h ILE 1096CO -0.04 0.18 -0.00 -0.33 0.00 0.00 0.00 178.15 177.96 1vfs h GLU 1097N 0.06 0.00 -0.62 2.37 5.08 -1.12 0.14 114.58 120.49 1vfs h GLU 1097Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1vfs h GLU 1097Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1vfs h GLU 1097CO -0.00 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.26 1vfs n THR 1098N -4.23 1.35 -3.55 1.13 -2.24 -0.86 -4.95 114.28 100.94 1vfs n THR 1098Ca -0.03 -0.93 -0.23 0.00 -2.27 0.00 0.00 64.05 60.59 1vfs n THR 1098Cb 0.09 0.12 0.05 0.00 -2.10 0.00 0.00 70.33 68.49 1vfs n THR 1098CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1vfs n ASP 1099N 0.97 -4.42 -4.39 3.42 2.03 0.49 -4.99 116.55 109.65 1vfs n ASP 1099Ca 0.21 -0.86 -0.33 0.00 0.52 0.00 0.00 54.79 54.33 1vfs n ASP 1099Cb 0.70 -4.19 -0.14 0.00 -0.72 0.00 0.00 41.12 36.77 1vfs n ASP 1099CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1vfs s ILE 1100N -3.50 3.17 0.09 5.18 1.01 -0.33 -4.64 121.20 122.18 1vfs s ILE 1100Ca 0.32 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 60.04 1vfs s ILE 1100Cb -0.08 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.97 1vfs s ILE 1100CO 0.81 0.52 1.41 -1.81 0.00 0.00 0.00 174.94 175.87 1vfs s ASP 1101N 0.35 6.81 0.01 3.58 1.11 -0.37 -4.60 116.67 123.56 1vfs s ASP 1101Ca -0.10 2.30 0.05 0.00 0.18 0.00 0.00 52.55 54.97 1vfs s ASP 1101Cb -0.16 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.22 1vfs s ASP 1101CO 0.05 -0.68 -0.12 0.68 1.18 0.00 0.00 175.17 176.28 1vfs s VAL 1102N 1.49 3.23 0.14 -1.27 -7.23 -0.52 -2.15 120.40 114.08 1vfs s VAL 1102Ca 0.65 -0.93 -0.18 0.00 -1.81 0.00 0.00 61.98 59.71 1vfs s VAL 1102Cb -0.36 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 1vfs s VAL 1102CO 0.30 0.40 0.61 -0.55 -0.31 0.00 0.00 175.10 175.54 1vfs s SER 1103N -1.34 7.00 -0.08 4.85 0.15 -1.03 -1.07 113.70 122.18 1vfs s SER 1103Ca 0.15 1.26 0.03 0.00 0.70 0.00 0.00 55.95 58.09 1vfs s SER 1103Cb -0.11 -2.36 0.01 0.00 -1.71 0.00 0.00 66.02 61.85 1vfs s SER 1103CO 0.06 0.16 -0.16 -0.69 1.20 0.00 0.00 173.24 173.81 1vfs s VAL 1104N -1.33 1.45 0.00 4.45 1.01 -0.01 -4.89 120.40 121.08 1vfs s VAL 1104Ca 0.36 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1vfs s VAL 1104Cb -0.18 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1vfs s VAL 1104CO 0.20 0.43 0.00 -1.20 0.00 0.00 0.00 175.10 174.52 1vfs n SER 1105N 3.82 4.93 -4.08 3.32 7.64 -1.26 -4.40 113.62 123.59 1vfs n SER 1105Ca -0.21 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.57 1vfs n SER 1105Cb 0.52 0.91 -0.08 0.00 -1.01 0.00 0.00 64.21 64.55 1vfs n SER 1105CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1vfs s GLY 1106N -2.11 0.87 0.33 0.23 0.00 -1.26 -3.59 107.32 101.79 1vfs s GLY 1106Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1vfs s GLY 1106CO 0.00 -1.10 1.99 -0.33 0.00 0.00 0.00 173.10 173.66 1vfs h MET 1107N 2.62 0.89 -0.76 2.90 0.00 -1.98 -2.10 114.93 116.51 1vfs h MET 1107Ca -0.33 -0.06 0.07 0.00 0.00 0.00 0.00 59.70 59.38 1vfs h MET 1107Cb 1.23 -0.20 -0.05 0.00 0.00 0.00 0.00 31.60 32.58 1vfs h MET 1107CO 0.51 0.61 0.50 0.11 0.00 0.00 0.00 176.91 178.64 1vfs h TRP 1108N 0.92 0.80 -0.11 -0.22 5.08 -2.00 -0.48 115.95 119.94 1vfs h TRP 1108Ca 0.24 0.02 -0.07 0.00 1.08 0.00 0.00 58.89 60.16 1vfs h TRP 1108Cb -0.08 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 25.82 1vfs h TRP 1108CO 0.00 0.41 -0.21 0.00 -1.28 0.00 0.00 178.44 177.36 1vfs h ALA 1109N 1.59 0.17 -0.41 0.11 0.00 -1.81 -2.93 119.26 115.98 1vfs h ALA 1109Ca 0.33 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1vfs h ALA 1109Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1vfs h ALA 1109CO -0.12 0.12 0.19 1.25 0.00 0.00 0.00 179.25 180.70 1vfs h LEU 1110N -0.11 0.27 -0.95 0.00 6.46 -1.09 -1.70 115.31 118.19 1vfs h LEU 1110Ca 0.00 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1vfs h LEU 1110Cb 0.80 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 1vfs h LEU 1110CO 0.05 0.20 0.56 0.44 -0.62 0.00 0.00 178.44 179.06 1vfs h ASP 1111N 0.39 1.14 -0.20 1.25 3.45 -1.14 -1.44 116.42 119.86 1vfs h ASP 1111Ca 0.18 -0.07 -0.12 0.00 0.43 0.00 0.00 57.03 57.44 1vfs h ASP 1111Cb 0.10 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 1vfs h ASP 1111CO -0.14 0.88 -0.29 -0.33 -1.57 0.00 0.00 179.24 177.79 1vfs h GLU 1112N 1.30 0.70 -0.07 3.56 5.08 -1.28 -2.59 114.58 121.28 1vfs h GLU 1112Ca 0.34 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1vfs h GLU 1112Cb -0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1vfs h GLU 1112CO -0.06 0.90 -0.63 -0.24 -1.00 0.00 0.00 179.01 177.98 1vfs h VAL 1113N 0.60 1.39 -0.42 3.13 3.04 -1.00 -2.28 116.25 120.70 1vfs h VAL 1113Ca 0.07 -2.04 -0.07 0.00 -1.01 0.00 0.00 66.70 63.65 1vfs h VAL 1113Cb 0.80 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 1vfs h VAL 1113CO 0.07 0.60 -0.03 0.03 -1.01 0.00 0.00 177.57 177.23 1vfs h ARG 1114N 0.18 0.76 -0.19 4.17 3.08 -1.15 -1.01 114.38 120.22 1vfs h ARG 1114Ca -0.01 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 1vfs h ARG 1114Cb 1.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1vfs h ARG 1114CO 0.10 0.85 -0.03 0.00 -1.07 0.00 0.00 179.97 179.82 1vfs h ALA 1115N 0.88 0.26 -0.62 0.04 0.00 -1.47 -2.57 119.26 115.78 1vfs h ALA 1115Ca 0.12 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1vfs h ALA 1115Cb 0.52 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1vfs h ALA 1115CO 0.03 0.01 0.41 0.00 0.00 0.00 0.00 179.25 179.69 1vfs h ALA 1116N 0.75 1.75 -0.65 0.00 0.00 -1.35 -0.87 119.26 118.89 1vfs h ALA 1116Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1vfs h ALA 1116Cb 0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1vfs h ALA 1116CO 0.01 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.52 1vfs h ALA 1117N 1.66 0.87 0.37 0.00 0.00 -0.98 -1.08 119.26 120.09 1vfs h ALA 1117Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1vfs h ALA 1117Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vfs h ALA 1117CO -0.08 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.65 1vfs h ARG 1118N 1.01 -0.47 -0.63 0.00 2.47 -0.79 0.32 114.38 116.29 1vfs h ARG 1118Ca 0.20 0.03 0.09 0.00 -1.26 0.00 0.00 59.98 59.04 1vfs h ARG 1118Cb 0.46 0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.82 1vfs h ARG 1118CO 0.02 -0.26 0.27 0.00 0.56 0.00 0.00 179.97 180.55 1vfs h ALA 1119N 0.03 0.82 0.00 0.04 0.00 -1.25 0.37 119.26 119.27 1vfs h ALA 1119Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vfs h ALA 1119Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1vfs h ALA 1119CO 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1vfs h ALA 1120N 1.40 1.00 -5.36 0.00 0.00 -1.02 -3.47 119.26 111.82 1vfs h ALA 1120Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.85 1vfs h ALA 1120Cb 0.35 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.26 1vfs h ALA 1120CO -0.28 0.00 -0.63 0.41 0.00 0.00 0.00 179.25 178.76 1vfs n GLY 1121N 0.36 -0.45 3.27 0.00 0.00 0.10 -4.99 105.19 103.49 1vfs n GLY 1121Ca 0.02 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1vfs n GLY 1121CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vfs s ARG 1122N -6.16 0.99 -0.09 1.61 0.52 -0.44 -5.03 118.95 110.35 1vfs s ARG 1122Ca 0.52 -1.01 -0.16 0.00 -0.52 0.00 0.00 55.73 54.56 1vfs s ARG 1122Cb -0.23 0.37 -0.05 0.00 0.52 0.00 0.00 34.95 35.56 1vfs s ARG 1122CO 0.64 -0.35 0.40 0.99 0.02 0.00 0.00 175.30 177.00 1vfs s THR 1123N -3.89 5.18 -0.00 0.02 2.01 -1.26 -4.49 115.64 113.20 1vfs s THR 1123Ca 0.09 0.79 -0.18 0.00 0.31 0.00 0.00 61.69 62.71 1vfs s THR 1123Cb 0.04 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 1vfs s THR 1123CO -0.07 0.43 0.50 0.00 -0.69 0.00 0.00 174.62 174.79 1vfs s ALA 1124N 0.03 3.59 -0.45 7.40 0.00 -1.11 -4.92 121.76 126.29 1vfs s ALA 1124Ca 0.22 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.89 1vfs s ALA 1124Cb -0.15 -2.57 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1vfs s ALA 1124CO 0.09 0.31 0.59 1.03 0.00 0.00 0.00 175.76 177.78 1vfs s ARG 1125N -0.60 3.21 0.09 0.00 0.52 -1.26 -0.70 118.95 120.21 1vfs s ARG 1125Ca 0.27 -0.54 0.07 0.00 -0.52 0.00 0.00 55.73 55.00 1vfs s ARG 1125Cb -0.17 -3.98 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 1vfs s ARG 1125CO 0.15 -1.01 -0.11 0.96 0.02 0.00 0.00 175.30 175.31 1vfs s ILE 1126N 2.64 3.29 -0.10 1.52 -4.36 -0.81 -1.44 121.20 121.93 1vfs s ILE 1126Ca 0.19 -1.23 0.03 0.00 -0.26 0.00 0.00 60.65 59.38 1vfs s ILE 1126Cb -0.16 -2.51 0.01 0.00 1.25 0.00 0.00 42.46 41.05 1vfs s ILE 1126CO 0.17 0.17 -0.19 -1.10 0.24 0.00 0.00 174.94 174.22 1vfs s GLN 1127N -2.03 2.55 0.00 0.37 -0.21 -0.24 -0.53 119.66 119.57 1vfs s GLN 1127Ca 0.20 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.88 1vfs s GLN 1127Cb -0.11 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.89 1vfs s GLN 1127CO 0.12 0.08 0.00 1.28 -2.12 0.00 0.00 175.29 174.64 1vfs n LEU 1128N 3.77 0.00 -3.64 2.90 4.32 0.25 -0.83 117.00 123.78 1vfs n LEU 1128Ca -0.20 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.72 1vfs n LEU 1128Cb 0.52 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.25 1vfs n LEU 1128CO 0.26 -0.31 0.61 0.00 -1.22 0.00 0.00 177.39 176.73 1vfs s ALA 1130N -3.62 -2.03 -0.90 -1.18 0.00 -0.22 -1.59 121.76 112.23 1vfs s ALA 1130Ca 0.00 2.10 -0.18 0.00 0.00 0.00 0.00 51.96 53.88 1vfs s ALA 1130Cb 0.00 -1.49 0.14 0.00 0.00 0.00 0.00 23.12 21.77 1vfs s ALA 1130CO 0.00 -0.31 1.07 0.34 0.00 0.00 0.00 175.76 176.85 1vfs s ASP 1131N 0.87 6.62 -0.00 0.00 -1.08 0.16 -4.50 116.67 118.73 1vfs s ASP 1131Ca -0.04 -2.07 0.07 0.00 -0.52 0.00 0.00 52.55 49.99 1vfs s ASP 1131Cb -0.05 -2.37 0.20 0.00 -1.46 0.00 0.00 42.92 39.24 1vfs s ASP 1131CO -0.11 -1.02 1.15 0.35 0.52 0.00 0.00 175.17 176.07 1vfs n THR 1132N 5.32 0.32 0.00 1.71 -2.24 -1.26 -4.45 114.28 113.68 1vfs n THR 1132Ca 0.21 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1vfs n THR 1132Cb 0.49 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1vfs n THR 1132CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vfs n GLY 1133N 0.82 0.81 0.23 3.38 0.00 -1.26 -4.40 105.19 104.78 1vfs n GLY 1133Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1vfs n GLY 1133CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vfs h LEU 1134N 0.00 0.30 1.18 0.99 5.85 -1.87 -3.47 115.31 118.29 1vfs h LEU 1134Ca 0.00 -0.08 -0.22 0.00 0.84 0.00 0.00 57.88 58.42 1vfs h LEU 1134Cb 0.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1vfs h LEU 1134CO 0.00 0.51 -0.25 0.61 -0.34 0.00 0.00 178.44 178.97 1vfs n GLY 1135N -0.65 0.37 0.00 3.75 0.00 -1.26 -4.98 105.19 102.42 1vfs n GLY 1135Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1vfs n GLY 1135CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vfs n ARG 1136N -2.26 0.00 -0.97 1.61 0.63 -1.26 -5.09 116.66 109.32 1vfs n ARG 1136Ca -0.12 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.73 1vfs n ARG 1136Cb 0.51 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.47 1vfs n ARG 1136CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1vfs n ASN 1137N 0.00 0.27 0.00 6.15 4.05 -1.26 -5.04 115.26 119.43 1vfs n ASN 1137Ca 0.00 -1.27 0.00 0.00 0.45 0.00 0.00 54.58 53.76 1vfs n ASN 1137Cb 0.00 -0.24 0.00 0.00 1.23 0.00 0.00 39.78 40.77 1vfs n ASN 1137CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vfs n GLY 1138N 2.52 -0.22 3.75 8.20 0.00 -1.26 -4.55 105.19 113.63 1vfs n GLY 1138Ca 0.05 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 1vfs n GLY 1138CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vfs s GLN 1140N 0.05 3.74 0.38 0.00 -1.52 -1.26 0.39 119.66 121.44 1vfs s GLN 1140Ca 0.34 1.26 0.16 0.00 -1.95 0.00 0.00 55.36 55.18 1vfs s GLN 1140Cb -0.19 -2.09 1.05 0.00 -0.22 0.00 0.00 33.01 31.56 1vfs s GLN 1140CO 0.19 -0.47 1.78 -1.35 -0.25 0.00 0.00 175.29 175.19 1vfs h PRO 1141N 1.27 0.44 0.00 2.91 0.11 -1.98 -0.55 132.00 134.19 1vfs h PRO 1141Ca -0.49 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1vfs h PRO 1141Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1vfs h PRO 1141CO 0.59 0.29 -0.30 0.00 -0.21 0.00 0.00 178.00 178.37 1vfs h ALA 1142N 1.63 1.45 -0.01 -0.75 0.00 -1.98 -2.98 119.26 116.62 1vfs h ALA 1142Ca 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1vfs h ALA 1142Cb 1.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1vfs h ALA 1142CO -0.30 0.37 -0.54 -0.25 0.00 0.00 0.00 179.25 178.52 1vfs n ASP 1143N -4.10 1.62 -0.12 0.00 8.00 -0.35 -4.62 116.55 116.99 1vfs n ASP 1143Ca -0.02 -1.31 -0.05 0.00 0.71 0.00 0.00 54.79 54.12 1vfs n ASP 1143Cb 0.35 0.61 0.03 0.00 -0.02 0.00 0.00 41.12 42.09 1vfs n ASP 1143CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1vfs h TRP 1144N 1.63 0.25 -0.62 1.24 2.91 -1.02 -2.23 115.95 118.10 1vfs h TRP 1144Ca 0.00 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.08 1vfs h TRP 1144Cb 0.62 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.17 1vfs h TRP 1144CO 0.00 0.10 0.36 0.00 -1.03 0.00 0.00 178.44 177.87 1vfs h ALA 1145N 1.26 0.82 0.85 2.65 0.00 -1.82 -0.56 119.26 122.46 1vfs h ALA 1145Ca 0.18 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1vfs h ALA 1145Cb 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1vfs h ALA 1145CO -0.19 0.08 -0.41 1.49 0.00 0.00 0.00 179.25 180.22 1vfs h GLU 1146N 0.70 -1.11 -0.94 0.00 4.81 -1.81 -1.42 114.58 114.81 1vfs h GLU 1146Ca 0.26 0.08 0.15 0.00 -0.13 0.00 0.00 59.36 59.72 1vfs h GLU 1146Cb 0.09 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 29.63 1vfs h GLU 1146CO -0.13 -0.73 0.55 1.25 -0.73 0.00 0.00 179.01 179.22 1vfs h LEU 1147N -1.28 0.75 -0.51 1.64 5.85 -1.35 -0.21 115.31 120.19 1vfs h LEU 1147Ca -0.12 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1vfs h LEU 1147Cb 0.88 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1vfs h LEU 1147CO 0.19 0.33 0.31 0.58 -0.34 0.00 0.00 178.44 179.51 1vfs h VAL 1148N 0.80 1.16 -0.66 1.05 2.07 -1.02 -0.88 116.25 118.76 1vfs h VAL 1148Ca 0.51 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1vfs h VAL 1148Cb 0.66 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1vfs h VAL 1148CO -0.33 0.16 0.30 1.23 0.02 0.00 0.00 177.57 178.95 1vfs h GLY 1149N 0.69 1.02 1.62 2.17 0.00 0.04 -1.97 103.07 106.64 1vfs h GLY 1149Ca 0.18 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1vfs h GLY 1149CO -0.03 0.50 -0.12 0.00 0.00 0.00 0.00 176.54 176.89 1vfs h ALA 1150N 1.13 1.28 -0.29 3.60 0.00 -0.83 -2.16 119.26 122.00 1vfs h ALA 1150Ca 0.22 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1vfs h ALA 1150Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vfs h ALA 1150CO -0.03 0.47 -0.22 0.00 0.00 0.00 0.00 179.25 179.48 1vfs h ALA 1151N 1.45 0.42 0.00 0.00 0.00 -0.74 -0.85 119.26 119.54 1vfs h ALA 1151Ca 0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1vfs h ALA 1151Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1vfs h ALA 1151CO 0.03 0.38 -0.17 -0.39 0.00 0.00 0.00 179.25 179.09 1vfs h VAL 1152N 0.41 0.45 -0.04 0.00 -1.51 -1.27 -1.25 116.25 113.03 1vfs h VAL 1152Ca 0.05 -0.96 -0.05 0.00 -1.23 0.00 0.00 66.70 64.51 1vfs h VAL 1152Cb 0.77 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1vfs h VAL 1152CO 0.06 0.17 -0.17 0.00 -1.23 0.00 0.00 177.57 176.40 1vfs h ALA 1153N 1.83 0.08 0.00 5.19 0.00 -1.15 -2.56 119.26 122.64 1vfs h ALA 1153Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1vfs h ALA 1153Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1vfs h ALA 1153CO 0.02 0.02 -0.29 0.00 0.00 0.00 0.00 179.25 179.00 1vfs h ALA 1154N 0.40 1.49 -0.47 0.00 0.00 -0.98 -1.87 119.26 117.84 1vfs h ALA 1154Ca -0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1vfs h ALA 1154Cb 0.82 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1vfs h ALA 1154CO 0.04 0.37 -0.15 0.37 0.00 0.00 0.00 179.25 179.87 1vfs h GLN 1155N 0.00 0.89 -0.42 0.00 4.15 -1.21 -2.44 115.11 116.08 1vfs h GLN 1155Ca -0.00 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 58.99 1vfs h GLN 1155Cb 0.53 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1vfs h GLN 1155CO 0.04 0.98 -0.13 0.00 -1.93 0.00 0.00 178.83 177.78 1vfs h ALA 1156N 1.04 0.97 0.00 3.38 0.00 -0.93 -1.71 119.26 122.01 1vfs h ALA 1156Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1vfs h ALA 1156Cb 0.68 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1vfs h ALA 1156CO 0.05 0.61 0.00 -0.85 0.00 0.00 0.00 179.25 179.06 1vfs n GLU 1157N -4.15 0.70 -1.68 0.00 0.28 -0.82 -4.84 120.64 110.13 1vfs n GLU 1157Ca 0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.84 1vfs n GLU 1157Cb 0.38 -1.30 -0.06 0.00 1.43 0.00 0.00 31.44 31.89 1vfs n GLU 1157CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vfs n GLY 1158N 0.32 1.26 0.10 -1.84 0.00 -0.64 -4.88 105.19 99.52 1vfs n GLY 1158Ca 0.10 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1vfs n GLY 1158CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1vfs n THR 1159N -2.83 1.60 -4.24 2.61 5.66 -0.95 -4.68 114.28 111.45 1vfs n THR 1159Ca -0.18 -0.75 -0.14 0.00 -3.05 0.00 0.00 64.05 59.94 1vfs n THR 1159Cb 0.58 -1.14 -0.10 0.00 -1.55 0.00 0.00 70.33 68.13 1vfs n THR 1159CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1vfs s VAL 1160N -2.56 0.36 -0.18 1.08 -7.23 -1.18 -2.77 120.40 107.92 1vfs s VAL 1160Ca -0.14 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 1vfs s VAL 1160Cb 0.07 -2.41 0.07 0.00 0.56 0.00 0.00 36.38 34.68 1vfs s VAL 1160CO 0.79 -0.17 0.15 -1.58 -0.31 0.00 0.00 175.10 173.98 1vfs s GLN 1161N -4.05 0.12 -0.57 4.82 0.74 0.13 -4.11 119.66 116.74 1vfs s GLN 1161Ca 0.33 0.05 -0.27 0.00 0.05 0.00 0.00 55.36 55.53 1vfs s GLN 1161Cb 0.07 -1.53 -0.01 0.00 1.10 0.00 0.00 33.01 32.64 1vfs s GLN 1161CO 0.09 -0.66 1.76 0.08 -0.55 0.00 0.00 175.29 176.02 1vfs s VAL 1162N 2.22 3.45 -0.52 1.34 1.01 -1.26 -1.93 120.40 124.72 1vfs s VAL 1162Ca 0.04 0.32 0.23 0.00 0.00 0.00 0.00 61.98 62.58 1vfs s VAL 1162Cb -0.16 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1vfs s VAL 1162CO -0.10 -0.91 1.10 0.35 0.00 0.00 0.00 175.10 175.54 1vfs n THR 1163N 7.16 0.31 -3.58 3.92 -2.24 0.30 -4.40 114.28 115.75 1vfs n THR 1163Ca 0.19 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1vfs n THR 1163Cb 0.51 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1vfs n THR 1163CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1vfs s GLY 1164N -3.83 -0.36 -0.05 3.38 0.00 -1.21 0.75 107.32 106.00 1vfs s GLY 1164Ca 0.03 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 1vfs s GLY 1164CO 0.78 -0.10 0.00 0.14 0.00 0.00 0.00 173.10 173.92 1vfs s VAL 1165N -3.80 0.28 0.22 1.40 1.01 -1.16 -0.58 120.40 117.76 1vfs s VAL 1165Ca 0.04 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 1vfs s VAL 1165Cb -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1vfs s VAL 1165CO -0.09 0.22 0.35 -1.66 0.00 0.00 0.00 175.10 173.92 1vfs s TRP 1166N 1.64 0.56 0.27 5.22 1.48 -0.62 -3.16 118.94 124.32 1vfs s TRP 1166Ca -0.00 -0.89 -0.01 0.00 -1.06 0.00 0.00 56.10 54.14 1vfs s TRP 1166Cb -0.13 -0.04 0.00 0.00 -1.16 0.00 0.00 33.47 32.14 1vfs s TRP 1166CO -0.03 -0.85 0.36 0.45 -4.06 0.00 0.00 176.95 172.81 1vfs n SER 1167N -0.32 -0.99 -3.81 -2.66 2.88 -0.89 -1.05 113.62 106.79 1vfs n SER 1167Ca -0.02 -2.47 -0.13 0.00 -1.33 0.00 0.00 58.87 54.92 1vfs n SER 1167Cb 0.63 1.88 -0.13 0.00 -0.75 0.00 0.00 64.21 65.84 1vfs n SER 1167CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1vfs s HIS 1168N -3.37 -0.17 0.47 0.66 2.46 -1.26 -4.26 115.29 109.82 1vfs s HIS 1168Ca 0.23 0.42 -0.19 0.00 0.47 0.00 0.00 55.06 55.99 1vfs s HIS 1168Cb -0.01 0.03 -0.09 0.00 -0.13 0.00 0.00 32.58 32.38 1vfs s HIS 1168CO 0.16 -0.10 0.98 -0.06 -2.47 0.00 0.00 174.74 173.26 1vfs s PHE 1169N 0.30 3.28 -0.24 3.88 0.08 -1.26 -4.51 117.98 119.51 1vfs s PHE 1169Ca -0.02 1.56 0.06 0.00 0.12 0.00 0.00 56.93 58.65 1vfs s PHE 1169Cb -0.03 -2.88 -0.18 0.00 -0.57 0.00 0.00 43.02 39.36 1vfs s PHE 1169CO -0.01 -0.34 -0.15 0.00 -0.10 0.00 0.00 175.22 174.62 1vfs n ALA 1170N -1.01 1.47 -2.12 5.36 0.00 -1.26 -4.71 120.51 118.24 1vfs n ALA 1170Ca 0.07 -1.13 0.03 0.00 0.00 0.00 0.00 53.44 52.41 1vfs n ALA 1170Cb 0.54 -0.10 0.10 0.00 0.00 0.00 0.00 19.45 19.98 1vfs n ALA 1170CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vfs h ALA 1172N 1.19 1.20 -0.00 0.00 0.00 -1.96 -1.04 119.26 118.64 1vfs h ALA 1172Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vfs h ALA 1172Cb 1.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1vfs h ALA 1172CO 0.11 0.00 -0.06 -0.40 0.00 0.00 0.00 179.25 178.89 1vfs n ASP 1173N -3.37 0.53 -4.22 0.00 3.85 -1.26 -4.39 116.55 107.68 1vfs n ASP 1173Ca -0.03 -0.81 -0.42 0.00 -0.71 0.00 0.00 54.79 52.82 1vfs n ASP 1173Cb 0.08 -0.05 -0.05 0.00 -1.35 0.00 0.00 41.12 39.75 1vfs n ASP 1173CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1vfs s GLU 1174N -2.29 3.18 -0.37 0.11 2.02 -0.40 -4.76 118.70 116.19 1vfs s GLU 1174Ca 0.35 -2.54 -0.38 0.00 0.02 0.00 0.00 54.97 52.42 1vfs s GLU 1174Cb 0.21 -4.13 -0.13 0.00 0.10 0.00 0.00 34.13 30.18 1vfs s GLU 1174CO 0.43 -1.24 2.13 -2.30 0.02 0.00 0.00 175.26 174.30 1vfs n PRO 1175N 3.67 0.87 0.00 0.39 -0.02 -1.26 -1.28 135.00 137.38 1vfs n PRO 1175Ca 0.12 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1vfs n PRO 1175Cb 0.43 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1vfs n PRO 1175CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vfs n GLY 1176N 6.49 0.48 3.68 -1.23 0.00 -1.26 -5.07 105.19 108.29 1vfs n GLY 1176Ca 0.42 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.99 1vfs n GLY 1176CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1vfs n HIS 1177N -1.42 2.43 0.05 1.61 -0.00 -0.40 -4.87 115.22 112.62 1vfs n HIS 1177Ca 0.00 0.08 0.21 0.00 -0.00 0.00 0.00 57.72 58.00 1vfs n HIS 1177Cb 0.00 -2.63 0.73 0.00 -0.00 0.00 0.00 29.99 28.09 1vfs n HIS 1177CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1vfs h PRO 1178N 7.36 0.00 -0.02 1.57 0.13 -1.96 -1.63 132.00 137.45 1vfs h PRO 1178Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1vfs h PRO 1178Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1vfs h PRO 1178CO 0.92 0.00 -0.34 0.66 -0.23 0.00 0.00 178.00 179.01 1vfs h SER 1179N 0.00 0.03 0.35 1.44 4.64 -1.96 -3.02 113.55 115.03 1vfs h SER 1179Ca 0.22 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1vfs h SER 1179Cb 1.03 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1vfs h SER 1179CO -0.00 0.37 -0.47 0.40 -0.87 0.00 0.00 176.83 176.26 1vfs h ILE 1180N 0.03 0.08 -0.54 0.95 2.04 -1.63 -0.25 117.51 118.20 1vfs h ILE 1180Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1vfs h ILE 1180Cb 0.62 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1vfs h ILE 1180CO 0.05 0.00 0.32 0.08 0.00 0.00 0.00 178.15 178.60 1vfs h ARG 1181N -0.86 0.72 -0.77 2.37 0.11 -1.72 -1.42 114.38 112.81 1vfs h ARG 1181Ca -0.03 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 59.99 1vfs h ARG 1181Cb 0.79 -0.16 -0.04 0.00 1.11 0.00 0.00 29.97 31.67 1vfs h ARG 1181CO -0.13 0.50 0.47 -0.07 0.10 0.00 0.00 179.97 180.85 1vfs h LEU 1182N 0.73 0.92 -0.49 0.08 3.38 -1.27 -1.58 115.31 117.08 1vfs h LEU 1182Ca 0.19 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1vfs h LEU 1182Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1vfs h LEU 1182CO -0.04 0.70 -0.73 1.56 0.09 0.00 0.00 178.44 180.02 1vfs h GLN 1183N 1.05 0.17 -0.51 1.13 4.20 -0.36 -1.82 115.11 118.96 1vfs h GLN 1183Ca 0.28 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 1vfs h GLN 1183Cb -0.06 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1vfs h GLN 1183CO -0.05 0.83 -0.03 1.25 -0.67 0.00 0.00 178.83 180.15 1vfs h LEU 1184N 0.11 0.87 -0.08 1.46 5.85 -0.91 -0.07 115.31 122.53 1vfs h LEU 1184Ca -0.02 -0.24 -0.25 0.00 0.84 0.00 0.00 57.88 58.21 1vfs h LEU 1184Cb 1.29 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 42.11 1vfs h LEU 1184CO 0.11 0.95 -0.92 0.44 -0.34 0.00 0.00 178.44 178.68 1vfs h ASP 1185N 0.82 0.92 -0.02 1.25 3.32 -1.23 -2.07 116.42 119.40 1vfs h ASP 1185Ca 0.15 -0.67 -0.06 0.00 0.02 0.00 0.00 57.03 56.47 1vfs h ASP 1185Cb 0.53 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1vfs h ASP 1185CO 0.03 1.47 -0.14 0.00 -1.72 0.00 0.00 179.24 178.88 1vfs h ALA 1186N 0.49 1.39 -0.16 3.45 0.00 -1.17 -1.30 119.26 121.95 1vfs h ALA 1186Ca -0.09 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 1vfs h ALA 1186Cb 1.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1vfs h ALA 1186CO 0.18 0.42 -0.46 0.35 0.00 0.00 0.00 179.25 179.75 1vfs h PHE 1187N 0.31 0.77 -0.63 0.00 3.57 -0.96 -1.71 116.94 118.29 1vfs h PHE 1187Ca 0.06 -0.31 -0.00 0.00 3.53 0.00 0.00 57.97 61.25 1vfs h PHE 1187Cb 0.44 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1vfs h PHE 1187CO 0.01 1.07 0.38 0.00 -2.23 0.00 0.00 178.31 177.54 1vfs h ARG 1188N 0.25 0.86 -0.42 1.11 3.08 -1.12 -1.42 114.38 116.73 1vfs h ARG 1188Ca -0.01 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 1vfs h ARG 1188Cb 1.08 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1vfs h ARG 1188CO 0.10 0.62 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.90 1vfs h ASP 1189N 0.86 0.94 0.99 7.04 3.45 -1.21 -2.29 116.42 126.21 1vfs h ASP 1189Ca 0.23 -0.38 -0.13 0.00 0.43 0.00 0.00 57.03 57.18 1vfs h ASP 1189Cb -0.02 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.47 1vfs h ASP 1189CO -0.04 1.16 -0.62 0.24 -1.57 0.00 0.00 179.24 178.40 1vfs h MET 1190N 0.77 0.00 -0.18 3.56 2.86 -1.19 -2.68 114.93 118.07 1vfs h MET 1190Ca 0.09 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1vfs h MET 1190Cb 0.85 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 1vfs h MET 1190CO 0.07 0.62 -0.17 1.25 1.06 0.00 0.00 176.91 179.75 1vfs h LEU 1191N 0.00 0.45 -0.36 1.22 5.85 -1.20 -2.33 115.31 118.94 1vfs h LEU 1191Ca -0.01 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1vfs h LEU 1191Cb 1.29 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1vfs h LEU 1191CO 0.08 0.84 0.23 0.00 -0.34 0.00 0.00 178.44 179.24 1vfs h ALA 1192N 0.63 0.46 -0.68 1.25 0.00 -1.41 0.50 119.26 120.01 1vfs h ALA 1192Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1vfs h ALA 1192Cb 0.71 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1vfs h ALA 1192CO 0.04 -0.11 0.45 -0.92 0.00 0.00 0.00 179.25 178.72 1vfs h TYR 1193N 0.46 0.81 -0.06 0.00 5.03 -1.46 0.17 116.97 121.93 1vfs h TYR 1193Ca 0.14 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.38 1vfs h TYR 1193Cb -0.03 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 37.99 1vfs h TYR 1193CO -0.06 0.48 -0.30 0.00 -1.32 0.00 0.00 178.16 176.96 1vfs h ALA 1194N 1.59 0.11 0.00 1.82 0.00 -0.77 -2.56 119.26 119.46 1vfs h ALA 1194Ca 0.26 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1vfs h ALA 1194Cb 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1vfs h ALA 1194CO -0.07 0.16 -0.05 0.93 0.00 0.00 0.00 179.25 180.23 1vfs h GLU 1195N -0.21 0.00 0.00 0.00 5.08 0.51 -1.22 114.58 118.74 1vfs h GLU 1195Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1vfs h GLU 1195Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1vfs h GLU 1195CO 0.06 0.05 -0.74 0.87 -1.00 0.00 0.00 179.01 178.25 1vfs h LYS 1196N 0.00 0.00 -0.29 2.33 6.56 -0.63 -3.32 116.57 121.22 1vfs h LYS 1196Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1vfs h LYS 1196Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1vfs h LYS 1196CO 0.01 0.00 0.00 -1.91 -2.06 0.00 0.00 179.45 175.49 1vfs n GLU 1197N -2.65 2.03 0.00 3.15 4.07 -0.48 -4.91 120.64 121.85 1vfs n GLU 1197Ca 0.01 -1.57 0.00 0.00 -0.06 0.00 0.00 57.16 55.55 1vfs n GLU 1197Cb 0.53 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 30.48 1vfs n GLU 1197CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vfs n GLY 1198N 1.27 1.66 3.31 8.31 0.00 -1.15 -4.95 105.19 113.63 1vfs n GLY 1198Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1vfs n GLY 1198CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vfs s VAL 1199N -2.00 3.31 -0.56 1.61 1.01 -1.06 -4.94 120.40 117.76 1vfs s VAL 1199Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1vfs s VAL 1199Cb 0.00 -2.49 0.15 0.00 0.00 0.00 0.00 36.38 34.03 1vfs s VAL 1199CO 0.00 0.44 0.37 -0.62 0.00 0.00 0.00 175.10 175.29 1vfs s ASP 1200N 1.36 5.18 0.35 3.32 2.15 -1.26 -4.19 116.67 123.58 1vfs s ASP 1200Ca 0.04 -2.66 -0.27 0.00 0.43 0.00 0.00 52.55 50.10 1vfs s ASP 1200Cb -0.14 -1.83 -0.09 0.00 -0.30 0.00 0.00 42.92 40.55 1vfs s ASP 1200CO -0.03 -0.40 1.13 -2.16 -0.17 0.00 0.00 175.17 173.53 1vfs s PRO 1201N 0.22 4.33 0.02 4.34 0.04 -1.26 -4.82 135.00 137.88 1vfs s PRO 1201Ca 0.15 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.78 1vfs s PRO 1201Cb -0.21 -2.88 -0.18 0.00 0.04 0.00 0.00 34.50 31.27 1vfs s PRO 1201CO -0.03 -0.06 1.22 1.49 0.04 0.00 0.00 177.00 179.65 1vfs h GLU 1202N 3.12 0.41 -4.69 4.56 4.81 0.10 -3.46 114.58 119.43 1vfs h GLU 1202Ca -0.48 -0.31 -0.31 0.00 -0.13 0.00 0.00 59.36 58.13 1vfs h GLU 1202Cb 1.22 0.06 -0.22 0.00 0.63 0.00 0.00 28.75 30.44 1vfs h GLU 1202CO 0.64 0.94 -0.75 0.14 -0.73 0.00 0.00 179.01 179.26 1vfs s VAL 1203N -3.74 0.64 -0.15 0.32 -7.23 -0.76 -5.04 120.40 104.44 1vfs s VAL 1203Ca -0.14 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1vfs s VAL 1203Cb 0.05 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.34 1vfs s VAL 1203CO 0.79 -0.30 -0.15 -0.13 -0.31 0.00 0.00 175.10 175.00 1vfs s ARG 1204N -1.45 2.44 -0.02 4.82 0.52 -1.26 -3.01 118.95 120.99 1vfs s ARG 1204Ca -0.07 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 1vfs s ARG 1204Cb -0.09 -2.20 0.02 0.00 0.52 0.00 0.00 34.95 33.20 1vfs s ARG 1204CO 0.01 -0.23 0.29 -3.38 0.02 0.00 0.00 175.30 172.01 1vfs s HIS 1205N 1.44 -0.17 0.00 -0.53 -3.43 -1.19 -1.97 115.29 109.44 1vfs s HIS 1205Ca 0.05 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.57 1vfs s HIS 1205Cb -0.13 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 1vfs s HIS 1205CO -0.11 -0.36 0.00 1.51 -2.00 0.00 0.00 174.74 173.78 1vfs n ILE 1206N 1.42 0.00 -2.87 -5.38 3.06 -1.26 -2.08 119.36 112.25 1vfs n ILE 1206Ca -0.21 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 59.66 1vfs n ILE 1206Cb 0.56 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.68 1vfs n ILE 1206CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1vfs s ALA 1207N -0.05 3.33 0.00 1.51 0.00 -1.26 -4.09 121.76 121.20 1vfs s ALA 1207Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1vfs s ALA 1207Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1vfs s ALA 1207CO 0.00 0.24 0.00 0.27 0.00 0.00 0.00 175.76 176.27 1vfs n ASN 1208N 1.01 1.03 0.06 0.00 6.94 -1.26 -1.54 115.26 121.51 1vfs n ASN 1208Ca -0.01 -0.57 -0.11 0.00 -0.02 0.00 0.00 54.58 53.86 1vfs n ASN 1208Cb 0.49 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.87 1vfs n ASN 1208CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1vfs h SER 1209N 0.00 -0.45 -0.51 0.53 0.02 -1.94 0.06 113.55 111.26 1vfs h SER 1209Ca 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1vfs h SER 1209Cb 0.00 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1vfs h SER 1209CO 0.00 -0.22 0.27 1.55 -1.14 0.00 0.00 176.83 177.29 1vfs h PRO 1210N -0.27 0.71 -0.52 3.45 0.13 -1.95 -0.93 132.00 132.63 1vfs h PRO 1210Ca 0.05 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1vfs h PRO 1210Cb 0.33 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 1vfs h PRO 1210CO -0.14 0.56 0.26 0.00 -0.23 0.00 0.00 178.00 178.44 1vfs h ALA 1211N 1.11 0.67 -0.61 -0.56 0.00 -1.74 -2.45 119.26 115.68 1vfs h ALA 1211Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1vfs h ALA 1211Cb 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1vfs h ALA 1211CO -0.03 0.22 0.35 1.15 0.00 0.00 0.00 179.25 180.95 1vfs h THR 1212N 0.69 1.02 0.00 0.00 2.02 -0.71 0.29 112.91 116.22 1vfs h THR 1212Ca 0.18 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1vfs h THR 1212Cb 0.10 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1vfs h THR 1212CO -0.02 0.12 0.00 0.18 0.37 0.00 0.00 175.52 176.17 1vfs n LEU 1213N -4.78 0.21 0.00 2.58 4.77 -0.38 -4.30 117.00 115.10 1vfs n LEU 1213Ca 0.06 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1vfs n LEU 1213Cb 0.12 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1vfs n LEU 1213CO 0.31 -0.22 -0.20 0.35 -1.33 0.00 0.00 177.39 176.29 1vfs n THR 1214N -1.71 0.00 -3.84 -5.08 -2.24 -0.90 -5.02 114.28 95.49 1vfs n THR 1214Ca 0.05 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.53 1vfs n THR 1214Cb 0.26 0.03 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 1vfs n THR 1214CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1vfs s LEU 1215N -1.49 3.69 0.66 3.22 2.01 0.99 -4.96 118.68 122.80 1vfs s LEU 1215Ca 0.00 -2.96 0.39 0.00 0.01 0.00 0.00 54.13 51.57 1vfs s LEU 1215Cb 0.00 -1.38 2.12 0.00 0.01 0.00 0.00 46.19 46.93 1vfs s LEU 1215CO 0.00 -0.23 2.20 1.55 1.01 0.00 0.00 176.35 180.89 1vfs h PRO 1216N 6.45 0.00 0.00 1.29 0.13 -1.85 0.24 132.00 138.27 1vfs h PRO 1216Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1vfs h PRO 1216Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1vfs h PRO 1216CO 0.61 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 1vfs n GLU 1217N -3.06 0.00 0.00 0.86 0.00 -1.26 -2.56 120.64 114.63 1vfs n GLU 1217Ca -0.02 0.15 0.11 0.00 0.00 0.00 0.00 57.16 57.39 1vfs n GLU 1217Cb 0.19 -1.51 -0.02 0.00 0.00 0.00 0.00 31.44 30.11 1vfs n GLU 1217CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1vfs n THR 1218N -1.51 0.00 -0.13 3.84 -2.24 0.07 -4.58 114.28 109.73 1vfs n THR 1218Ca 0.05 -0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 1vfs n THR 1218Cb 0.24 0.80 0.02 0.00 -2.10 0.00 0.00 70.33 69.29 1vfs n THR 1218CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1vfs h HIS 1219N 0.01 0.41 0.00 4.78 3.86 -1.58 -3.36 115.15 119.26 1vfs h HIS 1219Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1vfs h HIS 1219Cb 0.50 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1vfs h HIS 1219CO 0.00 0.22 0.00 1.19 0.86 0.00 0.00 177.93 180.20 1vfs n PHE 1220N -4.90 0.00 0.10 2.45 3.72 -1.26 -3.01 117.46 114.57 1vfs n PHE 1220Ca 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.40 1vfs n PHE 1220Cb 0.09 0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1vfs n PHE 1220CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1vfs h ASP 1221N 3.58 0.00 -4.70 4.37 3.32 -1.73 -3.40 116.42 117.86 1vfs h ASP 1221Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1vfs h ASP 1221Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.33 1vfs h ASP 1221CO 0.00 0.74 -0.40 -0.22 -1.72 0.00 0.00 179.24 177.63 1vfs s LEU 1222N -6.64 1.20 -0.03 1.55 0.20 -1.16 -0.18 118.68 113.62 1vfs s LEU 1222Ca 0.02 0.06 0.06 0.00 0.69 0.00 0.00 54.13 54.96 1vfs s LEU 1222Cb 0.09 0.92 -0.01 0.00 -0.43 0.00 0.00 46.19 46.75 1vfs s LEU 1222CO 0.78 -0.33 -0.20 0.68 -0.29 0.00 0.00 176.35 176.99 1vfs s VAL 1223N -0.99 1.64 -0.53 1.68 -7.23 -0.82 -4.40 120.40 109.74 1vfs s VAL 1223Ca -0.11 -0.87 -0.13 0.00 -1.81 0.00 0.00 61.98 59.07 1vfs s VAL 1223Cb -0.05 -1.37 0.13 0.00 0.56 0.00 0.00 36.38 35.65 1vfs s VAL 1223CO 0.02 0.46 0.45 -0.13 -0.31 0.00 0.00 175.10 175.60 1vfs s ARG 1224N -0.32 2.80 -0.25 4.82 0.52 -0.59 -0.93 118.95 125.00 1vfs s ARG 1224Ca 0.04 -1.82 -0.09 0.00 -0.52 0.00 0.00 55.73 53.35 1vfs s ARG 1224Cb -0.10 -4.13 -0.04 0.00 0.52 0.00 0.00 34.95 31.21 1vfs s ARG 1224CO 0.00 -1.26 0.11 0.95 0.02 0.00 0.00 175.30 175.12 1vfs s THR 1225N 1.34 4.68 0.00 0.02 -4.23 -0.25 -3.55 115.64 113.64 1vfs s THR 1225Ca 0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1vfs s THR 1225Cb -0.27 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1vfs s THR 1225CO 0.00 0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 1vfs n GLY 1226N 4.84 -0.02 0.38 3.99 0.00 -1.26 -1.50 105.19 111.61 1vfs n GLY 1226Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 1vfs n GLY 1226CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vfs h LEU 1227N 0.00 -1.40 -1.72 0.99 5.85 -1.91 -1.36 115.31 115.75 1vfs h LEU 1227Ca 0.00 0.26 0.32 0.00 0.84 0.00 0.00 57.88 59.29 1vfs h LEU 1227Cb 0.00 0.67 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 1vfs h LEU 1227CO 0.00 -0.31 0.78 0.00 -0.34 0.00 0.00 178.44 178.57 1vfs h ALA 1228N 0.90 2.75 -0.15 1.25 0.00 -1.90 0.32 119.26 122.43 1vfs h ALA 1228Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1vfs h ALA 1228Cb 0.56 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1vfs h ALA 1228CO -0.76 -1.13 0.06 0.28 0.00 0.00 0.00 179.25 177.70 1vfs h VAL 1229N 0.16 1.07 -0.41 0.00 2.07 -1.53 -1.52 116.25 116.09 1vfs h VAL 1229Ca 0.59 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.90 1vfs h VAL 1229Cb 1.98 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1vfs h VAL 1229CO -0.14 0.08 0.00 -1.22 0.02 0.00 0.00 177.57 176.31 1vfs n TYR 1230N -4.47 0.56 -2.16 1.57 4.02 0.11 -4.54 117.16 112.25 1vfs n TYR 1230Ca -0.01 -0.28 -0.09 0.00 -0.01 0.00 0.00 57.90 57.51 1vfs n TYR 1230Cb 0.11 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.42 1vfs n TYR 1230CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vfs n GLY 1231N 1.14 0.00 3.35 2.72 0.00 -0.57 -1.85 105.19 109.98 1vfs n GLY 1231Ca 0.14 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1vfs n GLY 1231CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vfs s VAL 1232N -2.47 2.24 -0.02 1.61 1.01 -1.24 -3.33 120.40 118.19 1vfs s VAL 1232Ca 0.00 -1.13 -0.25 0.00 0.00 0.00 0.00 61.98 60.60 1vfs s VAL 1232Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1vfs s VAL 1232CO 0.00 0.52 0.79 -0.55 0.00 0.00 0.00 175.10 175.86 1vfs s SER 1233N -0.81 7.14 0.29 3.32 0.15 -1.26 -3.87 113.70 118.66 1vfs s SER 1233Ca 0.11 1.37 0.04 0.00 0.70 0.00 0.00 55.95 58.17 1vfs s SER 1233Cb -0.10 -2.47 0.73 0.00 -1.71 0.00 0.00 66.02 62.48 1vfs s SER 1233CO 0.00 -0.12 1.70 -0.65 1.20 0.00 0.00 173.24 175.37 1vfs h PRO 1234N 6.51 0.39 -3.07 5.44 0.11 -1.95 -3.44 132.00 135.98 1vfs h PRO 1234Ca -0.42 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 1vfs h PRO 1234Cb 1.20 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1vfs h PRO 1234CO 0.74 0.26 -0.03 0.45 -0.21 0.00 0.00 178.00 179.21 1vfs s SER 1235N -5.17 -0.33 0.48 -2.05 0.15 -1.26 -4.83 113.70 100.69 1vfs s SER 1235Ca -0.12 -0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.74 1vfs s SER 1235Cb 0.25 0.47 1.19 0.00 -1.71 0.00 0.00 66.02 66.22 1vfs s SER 1235CO 0.78 -0.76 1.94 -0.65 1.20 0.00 0.00 173.24 175.75 1vfs h PRO 1236N 2.66 0.00 0.00 5.44 0.11 -1.85 -2.36 132.00 136.00 1vfs h PRO 1236Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1vfs h PRO 1236Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1vfs h PRO 1236CO 0.43 0.17 0.00 0.93 -0.21 0.00 0.00 178.00 179.33 1vfs h GLU 1237N 0.00 0.00 0.00 1.05 5.08 -1.96 -1.84 114.58 116.91 1vfs h GLU 1237Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1vfs h GLU 1237Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1vfs h GLU 1237CO 0.02 0.00 -1.14 1.28 -1.00 0.00 0.00 179.01 178.17 1vfs n LEU 1238N -2.97 0.75 0.00 1.33 4.32 -0.90 -4.92 117.00 114.61 1vfs n LEU 1238Ca 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1vfs n LEU 1238Cb 0.27 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1vfs n LEU 1238CO 0.25 -0.15 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 1vfs n GLY 1239N 1.20 1.65 3.92 -0.72 0.00 -0.69 -4.88 105.19 105.66 1vfs n GLY 1239Ca -0.01 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 1vfs n GLY 1239CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vfs s THR 1240N -1.51 4.07 0.30 2.61 -4.23 -1.26 -4.56 115.64 111.05 1vfs s THR 1240Ca 0.00 0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 1vfs s THR 1240Cb 0.00 -3.58 0.29 0.00 1.34 0.00 0.00 72.50 70.55 1vfs s THR 1240CO 0.00 -0.58 1.85 -0.65 -0.54 0.00 0.00 174.62 174.70 1vfs h PRO 1241N -0.02 0.92 -0.01 3.99 0.11 -1.86 -0.22 132.00 134.92 1vfs h PRO 1241Ca -0.46 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1vfs h PRO 1241Cb 1.24 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 1vfs h PRO 1241CO 0.61 0.61 -0.26 0.00 -0.21 0.00 0.00 178.00 178.74 1vfs h ALA 1242N 1.55 -0.35 0.00 -0.75 0.00 -1.94 0.36 119.26 118.13 1vfs h ALA 1242Ca 0.48 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 1vfs h ALA 1242Cb 0.51 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1vfs h ALA 1242CO -0.25 -0.76 -0.21 1.96 0.00 0.00 0.00 179.25 179.99 1vfs h GLN 1243N -0.40 0.00 0.00 0.00 4.20 -1.75 -1.94 115.11 115.22 1vfs h GLN 1243Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1vfs h GLN 1243Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1vfs h GLN 1243CO -0.24 0.21 -0.14 1.28 -0.67 0.00 0.00 178.83 179.27 1vfs n LEU 1244N -3.99 0.34 0.00 1.46 4.32 -0.16 -4.91 117.00 114.07 1vfs n LEU 1244Ca -0.02 0.41 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1vfs n LEU 1244Cb 0.29 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1vfs n LEU 1244CO 0.35 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1vfs n GLY 1245N 1.44 0.45 3.95 -0.72 0.00 0.53 -5.04 105.19 105.79 1vfs n GLY 1245Ca 0.06 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1vfs n GLY 1245CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vfs s LEU 1246N 0.00 4.28 -0.11 0.99 1.02 0.95 -4.90 118.68 120.91 1vfs s LEU 1246Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.23 1vfs s LEU 1246Cb 0.00 -2.83 0.02 0.00 0.02 0.00 0.00 46.19 43.40 1vfs s LEU 1246CO 0.00 -0.02 -0.09 -0.60 0.02 0.00 0.00 176.35 175.66 1vfs s ARG 1247N -3.70 1.63 0.02 1.70 3.52 -1.26 -4.03 118.95 116.83 1vfs s ARG 1247Ca 0.34 -0.31 -0.33 0.00 -0.13 0.00 0.00 55.73 55.30 1vfs s ARG 1247Cb -0.10 -1.60 -0.12 0.00 -1.56 0.00 0.00 34.95 31.57 1vfs s ARG 1247CO 0.28 -0.21 1.79 -2.30 -0.81 0.00 0.00 175.30 174.06 1vfs n PRO 1248N 4.72 2.31 0.06 5.12 -0.02 -1.21 -3.73 135.00 142.25 1vfs n PRO 1248Ca -0.15 0.84 -0.04 0.00 -2.02 0.00 0.00 63.50 62.14 1vfs n PRO 1248Cb 0.50 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.22 1vfs n PRO 1248CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vfs h ALA 1249N 8.24 0.57 -3.39 3.55 0.00 -1.64 -3.47 119.26 123.11 1vfs h ALA 1249Ca -0.47 -0.88 -0.67 0.00 0.00 0.00 0.00 54.91 52.89 1vfs h ALA 1249Cb 1.26 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.93 1vfs h ALA 1249CO 0.93 1.09 -0.65 1.41 0.00 0.00 0.00 179.25 182.04 1vfs s MET 1250N -2.79 3.17 -0.13 0.00 -2.45 -1.26 -0.97 119.30 114.87 1vfs s MET 1250Ca 0.00 -0.47 -0.00 0.00 -1.25 0.00 0.00 55.69 53.97 1vfs s MET 1250Cb 0.09 -2.80 0.02 0.00 1.25 0.00 0.00 34.83 33.39 1vfs s MET 1250CO 0.80 0.55 -0.11 0.99 1.05 0.00 0.00 175.02 178.30 1vfs s THR 1251N -0.46 1.28 -0.30 10.11 2.01 -0.40 -4.31 115.64 123.57 1vfs s THR 1251Ca 0.08 -0.45 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 1vfs s THR 1251Cb -0.12 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 1vfs s THR 1251CO 0.02 0.41 0.29 -0.22 -0.69 0.00 0.00 174.62 174.43 1vfs s LEU 1252N 1.61 4.18 0.10 4.42 2.96 0.54 -0.46 118.68 132.03 1vfs s LEU 1252Ca 0.05 -0.02 0.09 0.00 -0.22 0.00 0.00 54.13 54.02 1vfs s LEU 1252Cb -0.13 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1vfs s LEU 1252CO -0.09 -0.18 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.41 1vfs s ARG 1253N 1.91 1.22 0.05 1.98 0.52 -0.87 -1.57 118.95 122.19 1vfs s ARG 1253Ca 0.10 -1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 54.12 1vfs s ARG 1253Cb -0.16 -1.50 -0.02 0.00 0.52 0.00 0.00 34.95 33.79 1vfs s ARG 1253CO 0.11 0.36 0.06 0.00 0.02 0.00 0.00 175.30 175.84 1vfs s ALA 1254N -1.08 0.12 -0.10 2.13 0.00 -0.08 -1.20 121.76 121.55 1vfs s ALA 1254Ca 0.08 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1vfs s ALA 1254Cb -0.10 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1vfs s ALA 1254CO 0.04 -0.36 -0.03 -1.12 0.00 0.00 0.00 175.76 174.29 1vfs s SER 1255N -2.50 4.92 0.37 0.00 0.01 -0.39 0.47 113.70 116.58 1vfs s SER 1255Ca 0.00 0.01 -0.28 0.00 1.31 0.00 0.00 55.95 57.00 1vfs s SER 1255Cb 0.03 -1.47 -0.11 0.00 0.21 0.00 0.00 66.02 64.68 1vfs s SER 1255CO -0.07 0.31 1.43 0.18 0.41 0.00 0.00 173.24 175.50 1vfs n LEU 1256N 2.58 4.43 -0.00 2.44 4.77 -0.12 -4.35 117.00 126.75 1vfs n LEU 1256Ca -0.18 1.22 0.08 0.00 -0.03 0.00 0.00 56.01 57.10 1vfs n LEU 1256Cb 0.53 -1.58 -0.11 0.00 -2.33 0.00 0.00 43.42 39.93 1vfs n LEU 1256CO 0.29 -0.03 -0.28 0.00 -1.33 0.00 0.00 177.39 176.05 1vfs n ALA 1257N 0.40 3.59 -3.63 -1.18 0.00 -0.57 -0.21 120.51 118.90 1vfs n ALA 1257Ca 0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 53.44 52.96 1vfs n ALA 1257Cb 0.38 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 1vfs n ALA 1257CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1vfs s LEU 1258N -3.29 -0.22 -0.06 0.00 2.96 -1.26 -4.92 118.68 111.90 1vfs s LEU 1258Ca 0.02 0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1vfs s LEU 1258Cb 0.12 1.46 0.03 0.00 0.50 0.00 0.00 46.19 48.30 1vfs s LEU 1258CO 0.69 -0.11 0.05 -0.69 -1.32 0.00 0.00 176.35 174.96 1vfs s VAL 1259N -0.26 -0.01 0.19 1.68 1.01 -1.26 0.01 120.40 121.76 1vfs s VAL 1259Ca 0.05 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 1vfs s VAL 1259Cb -0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1vfs s VAL 1259CO -0.09 0.15 0.13 -1.59 0.00 0.00 0.00 175.10 173.70 1vfs s LYS 1260N 2.13 1.15 -0.12 2.72 -2.85 -0.60 -4.96 119.74 117.21 1vfs s LYS 1260Ca 0.05 -1.58 -0.06 0.00 -1.00 0.00 0.00 55.97 53.38 1vfs s LYS 1260Cb -0.12 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 35.88 1vfs s LYS 1260CO -0.04 -0.37 0.12 0.99 0.10 0.00 0.00 175.35 176.15 1vfs s THR 1261N -4.13 5.30 0.03 3.79 2.01 -1.26 -0.63 115.64 120.76 1vfs s THR 1261Ca 0.35 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.52 1vfs s THR 1261Cb 0.07 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1vfs s THR 1261CO 0.10 0.60 -0.10 0.68 -0.69 0.00 0.00 174.62 175.21 1vfs s VAL 1262N -0.89 0.75 1.10 3.82 -7.23 0.12 -4.97 120.40 113.11 1vfs s VAL 1262Ca 0.14 -0.87 -0.15 0.00 -1.81 0.00 0.00 61.98 59.28 1vfs s VAL 1262Cb -0.12 -0.72 0.24 0.00 0.56 0.00 0.00 36.38 36.34 1vfs s VAL 1262CO 0.03 -0.12 1.09 -2.16 -0.31 0.00 0.00 175.10 173.63 1vfs s PRO 1263N -1.11 -0.42 0.34 4.82 0.04 -1.26 -0.90 135.00 136.51 1vfs s PRO 1263Ca -0.03 0.27 -0.26 0.00 0.04 0.00 0.00 61.00 61.02 1vfs s PRO 1263Cb -0.07 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 1vfs s PRO 1263CO 0.01 -3.25 1.04 0.00 0.04 0.00 0.00 177.00 174.84 1vfs s ALA 1264N -2.94 3.21 0.00 8.56 0.00 -1.26 -3.50 121.76 125.83 1vfs s ALA 1264Ca 0.68 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1vfs s ALA 1264Cb -0.15 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1vfs s ALA 1264CO 0.57 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1vfs n GLY 1265N 0.69 0.59 3.73 0.00 0.00 -0.84 -4.94 105.19 104.42 1vfs n GLY 1265Ca 0.02 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1vfs n GLY 1265CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vfs s HIS 1266N -2.00 3.65 0.46 1.61 5.04 -1.23 -4.80 115.29 118.03 1vfs s HIS 1266Ca 0.00 1.36 -0.21 0.00 -1.54 0.00 0.00 55.06 54.68 1vfs s HIS 1266Cb 0.00 -2.82 -0.10 0.00 0.04 0.00 0.00 32.58 29.71 1vfs s HIS 1266CO 0.00 0.17 1.00 0.20 -2.34 0.00 0.00 174.74 173.77 1vfs s GLY 1267N 0.41 2.46 -0.13 1.59 0.00 -1.26 -1.60 107.32 108.79 1vfs s GLY 1267Ca 0.38 0.52 -0.00 0.00 0.00 0.00 0.00 44.72 45.62 1vfs s GLY 1267CO 0.21 0.82 -0.07 0.14 0.00 0.00 0.00 173.10 174.19 1vfs s VAL 1268N -2.07 1.09 0.07 1.40 1.01 0.14 -4.95 120.40 117.09 1vfs s VAL 1268Ca 0.65 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1vfs s VAL 1268Cb -0.13 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1vfs s VAL 1268CO 0.17 0.30 0.00 -0.24 0.00 0.00 0.00 175.10 175.33 1vfs n SER 1269N 4.91 -2.10 -4.70 3.32 2.88 -1.26 -3.95 113.62 112.72 1vfs n SER 1269Ca -0.13 0.33 -0.42 0.00 -1.33 0.00 0.00 58.87 57.33 1vfs n SER 1269Cb 0.49 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1vfs n SER 1269CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1vfs n TYR 1270N -1.60 2.21 -0.58 0.66 4.01 -1.26 -1.62 117.16 118.98 1vfs n TYR 1270Ca 0.00 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.28 1vfs n TYR 1270Cb 0.14 -2.40 0.00 0.00 -0.31 0.00 0.00 39.34 36.77 1vfs n TYR 1270CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vfs n GLY 1271N 0.79 0.45 4.03 2.72 0.00 -1.26 -3.73 105.19 108.19 1vfs n GLY 1271Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1vfs n GLY 1271CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vfs n HIS 1272N -2.00 -1.55 1.85 1.61 8.25 -0.64 -4.82 115.22 117.92 1vfs n HIS 1272Ca 0.00 0.61 0.13 0.00 -0.26 0.00 0.00 57.72 58.20 1vfs n HIS 1272Cb 0.00 -3.37 0.71 0.00 1.12 0.00 0.00 29.99 28.45 1vfs n HIS 1272CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1vfs n HIS 1273N -4.49 0.02 -3.93 4.41 8.25 -1.24 -4.69 115.22 113.55 1vfs n HIS 1273Ca -0.27 -0.01 -0.17 0.00 -0.26 0.00 0.00 57.72 57.01 1vfs n HIS 1273Cb 0.67 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.62 1vfs n HIS 1273CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1vfs s TYR 1274N -1.98 0.29 -0.07 4.41 5.04 -1.25 -4.76 117.35 119.03 1vfs s TYR 1274Ca 0.39 0.00 0.02 0.00 -2.44 0.00 0.00 57.07 55.04 1vfs s TYR 1274Cb 0.19 -0.39 0.01 0.00 0.35 0.00 0.00 41.96 42.12 1vfs s TYR 1274CO 0.31 -0.12 -0.12 0.08 -1.34 0.00 0.00 175.55 174.36 1vfs s VAL 1275N 0.97 1.14 0.50 3.14 1.01 -1.26 0.25 120.40 126.15 1vfs s VAL 1275Ca -0.10 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1vfs s VAL 1275Cb -0.13 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 1vfs s VAL 1275CO -0.02 0.36 1.36 0.35 0.00 0.00 0.00 175.10 177.15 1vfs n THR 1276N 3.92 3.36 0.06 3.92 -2.24 -0.63 -4.87 114.28 117.80 1vfs n THR 1276Ca -0.22 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.05 1vfs n THR 1276Cb 0.52 -1.69 -0.07 0.00 -2.10 0.00 0.00 70.33 66.99 1vfs n THR 1276CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1vfs h GLU 1277N 1.74 0.00 -2.74 -0.78 3.07 -1.92 -2.24 114.58 111.70 1vfs h GLU 1277Ca -0.50 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.47 1vfs h GLU 1277Cb 1.29 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.14 1vfs h GLU 1277CO 0.58 0.45 0.33 -1.54 -1.40 0.00 0.00 179.01 177.44 1vfs s SER 1278N -6.10 -0.22 -0.17 1.42 1.04 -1.26 -4.69 113.70 103.71 1vfs s SER 1278Ca -0.01 -0.55 -0.38 0.00 0.48 0.00 0.00 55.95 55.49 1vfs s SER 1278Cb 0.08 0.64 -0.14 0.00 0.10 0.00 0.00 66.02 66.70 1vfs s SER 1278CO 0.80 -1.19 1.75 1.21 0.98 0.00 0.00 173.24 176.79 1vfs n GLU 1279N -0.47 1.52 -3.79 4.02 2.13 -1.26 -4.32 120.64 118.47 1vfs n GLU 1279Ca -0.05 0.55 -0.15 0.00 0.66 0.00 0.00 57.16 58.17 1vfs n GLU 1279Cb 0.60 -2.29 -0.05 0.00 0.27 0.00 0.00 31.44 29.96 1vfs n GLU 1279CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1vfs n THR 1280N 4.56 0.00 -4.48 6.31 5.66 -0.08 -4.94 114.28 121.30 1vfs n THR 1280Ca 0.24 -1.88 -0.33 0.00 -3.05 0.00 0.00 64.05 59.03 1vfs n THR 1280Cb 0.19 0.99 -0.13 0.00 -1.55 0.00 0.00 70.33 69.84 1vfs n THR 1280CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1vfs s HIS 1281N -3.16 2.98 0.07 1.09 3.76 -1.00 -0.70 115.29 118.33 1vfs s HIS 1281Ca 0.31 -0.36 0.08 0.00 -0.15 0.00 0.00 55.06 54.93 1vfs s HIS 1281Cb 0.01 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1vfs s HIS 1281CO 0.22 -0.06 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.36 1vfs s LEU 1282N 0.34 2.66 0.01 0.89 1.43 0.20 -0.53 118.68 123.68 1vfs s LEU 1282Ca -0.05 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1vfs s LEU 1282Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1vfs s LEU 1282CO 0.04 0.23 -0.22 0.00 0.23 0.00 0.00 176.35 176.62 1vfs s ALA 1283N -1.01 1.86 -0.27 4.21 0.00 0.14 -1.56 121.76 125.13 1vfs s ALA 1283Ca 0.16 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1vfs s ALA 1283Cb -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1vfs s ALA 1283CO 0.07 0.44 0.16 -1.17 0.00 0.00 0.00 175.76 175.26 1vfs s LEU 1284N -0.87 3.89 -0.33 0.00 2.96 0.10 -1.05 118.68 123.39 1vfs s LEU 1284Ca 0.09 -0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.77 1vfs s LEU 1284Cb -0.09 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1vfs s LEU 1284CO 0.01 -0.05 0.32 -0.69 -1.32 0.00 0.00 176.35 174.61 1vfs s VAL 1285N 1.72 5.21 -0.04 1.68 1.01 0.34 -1.52 120.40 128.80 1vfs s VAL 1285Ca 0.07 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1vfs s VAL 1285Cb -0.16 -3.76 -0.26 0.00 0.00 0.00 0.00 36.38 32.21 1vfs s VAL 1285CO 0.09 -0.01 3.60 -0.81 0.00 0.00 0.00 175.10 177.96 1vfs n PRO 1286N 5.29 2.04 -3.86 2.72 -0.04 -1.26 -1.30 135.00 138.59 1vfs n PRO 1286Ca -0.10 -1.06 -0.15 0.00 -0.04 0.00 0.00 63.50 62.15 1vfs n PRO 1286Cb 0.50 -2.02 -0.16 0.00 -0.04 0.00 0.00 33.50 31.79 1vfs n PRO 1286CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vfs s ALA 1287N 0.94 0.16 0.00 0.55 0.00 -0.72 -4.75 121.76 117.95 1vfs s ALA 1287Ca 0.67 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1vfs s ALA 1287Cb 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1vfs s ALA 1287CO -0.01 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1vfs n GLY 1288N 3.92 4.60 0.24 0.00 0.00 -1.15 -3.52 105.19 109.27 1vfs n GLY 1288Ca -0.24 -1.79 0.16 0.00 0.00 0.00 0.00 46.02 44.15 1vfs n GLY 1288CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1vfs h TYR 1289N 0.75 0.00 0.00 1.61 -0.00 -0.90 0.62 116.97 119.05 1vfs h TYR 1289Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 1vfs h TYR 1289Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 1vfs h TYR 1289CO 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 178.16 177.78 1vfs h ALA 1290N 2.06 0.91 -0.02 0.10 0.00 -1.39 -2.48 119.26 118.43 1vfs h ALA 1290Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1vfs h ALA 1290Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1vfs h ALA 1290CO 0.00 0.47 -0.03 -0.25 0.00 0.00 0.00 179.25 179.44 1vfs n ASP 1291N -3.41 1.60 0.00 0.00 9.92 0.14 -4.56 116.55 120.24 1vfs n ASP 1291Ca 0.00 -1.48 0.00 0.00 -0.53 0.00 0.00 54.79 52.78 1vfs n ASP 1291Cb 0.56 0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1vfs n ASP 1291CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vfs n GLY 1292N 1.21 0.72 3.59 0.44 0.00 -0.93 -1.47 105.19 108.75 1vfs n GLY 1292Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1vfs n GLY 1292CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vfs s ILE 1293N -2.00 4.34 0.20 -0.61 -1.09 -0.76 -4.70 121.20 116.57 1vfs s ILE 1293Ca 0.00 1.07 -0.33 0.00 -2.23 0.00 0.00 60.65 59.16 1vfs s ILE 1293Cb 0.00 -4.52 -0.14 0.00 -1.58 0.00 0.00 42.46 36.23 1vfs s ILE 1293CO 0.00 -0.89 1.51 -0.81 -1.23 0.00 0.00 174.94 173.52 1vfs n PRO 1294N 7.48 2.12 0.21 2.79 -0.04 -1.26 -2.59 135.00 143.71 1vfs n PRO 1294Ca 0.09 0.76 0.09 0.00 -0.04 0.00 0.00 63.50 64.40 1vfs n PRO 1294Cb 0.49 -2.48 0.42 0.00 -0.04 0.00 0.00 33.50 31.89 1vfs n PRO 1294CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1vfs h ARG 1295N 5.20 0.00 0.00 0.54 2.43 -1.93 -2.52 114.38 118.11 1vfs h ARG 1295Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1vfs h ARG 1295Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1vfs h ARG 1295CO 0.83 0.25 0.00 0.09 -1.51 0.00 0.00 179.97 179.64 1vfs n ASN 1296N -3.40 0.00 -0.96 -3.80 4.13 -1.26 -1.77 115.26 108.19 1vfs n ASN 1296Ca 0.00 0.02 0.09 0.00 1.68 0.00 0.00 54.58 56.38 1vfs n ASN 1296Cb 0.45 -0.29 0.26 0.00 -1.54 0.00 0.00 39.78 38.66 1vfs n ASN 1296CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vfs n ALA 1297N -1.29 2.43 -1.64 5.41 0.00 -0.95 -4.39 120.51 120.09 1vfs n ALA 1297Ca 0.09 -0.90 -0.49 0.00 0.00 0.00 0.00 53.44 52.14 1vfs n ALA 1297Cb 0.15 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1vfs n ALA 1297CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vfs n SER 1298N 1.04 2.46 0.00 0.00 7.64 -0.73 -0.49 113.62 123.55 1vfs n SER 1298Ca 0.18 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.16 1vfs n SER 1298Cb 0.46 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1vfs n SER 1298CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vfs n GLY 1299N 3.06 1.42 0.00 0.23 0.00 -0.94 -4.74 105.19 104.22 1vfs n GLY 1299Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1vfs n GLY 1299CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vfs n ARG 1300N -2.00 2.33 -1.70 1.61 1.74 -0.03 -4.63 116.66 113.98 1vfs n ARG 1300Ca 0.00 0.00 -0.55 0.00 -0.77 0.00 0.00 57.85 56.53 1vfs n ARG 1300Cb 0.00 -0.75 -0.07 0.00 -1.02 0.00 0.00 32.46 30.63 1vfs n ARG 1300CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vfs n GLY 1301N 1.56 0.95 3.76 -0.13 0.00 0.36 -4.60 105.19 107.08 1vfs n GLY 1301Ca 0.00 0.90 -0.40 0.00 0.00 0.00 0.00 46.02 46.52 1vfs n GLY 1301CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vfs s PRO 1302N 3.42 4.70 -0.01 1.61 0.04 -1.26 -0.95 135.00 142.55 1vfs s PRO 1302Ca 0.96 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 1vfs s PRO 1302Cb -0.99 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 30.27 1vfs s PRO 1302CO 0.62 0.51 0.06 0.08 0.04 0.00 0.00 177.00 178.30 1vfs s VAL 1303N -1.03 0.05 -0.37 -0.36 1.01 0.34 -4.81 120.40 115.22 1vfs s VAL 1303Ca 0.39 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1vfs s VAL 1303Cb -0.24 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1vfs s VAL 1303CO 0.29 -0.21 0.35 -0.22 0.00 0.00 0.00 175.10 175.31 1vfs s LEU 1304N -0.65 4.66 -0.02 3.92 2.96 -0.58 0.17 118.68 129.13 1vfs s LEU 1304Ca -0.07 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1vfs s LEU 1304Cb -0.04 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.36 1vfs s LEU 1304CO 0.00 -0.40 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.92 1vfs s VAL 1305N 1.96 0.25 -0.95 1.68 1.01 -0.18 -2.06 120.40 122.11 1vfs s VAL 1305Ca 0.10 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1vfs s VAL 1305Cb -0.17 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1vfs s VAL 1305CO 0.12 0.12 0.67 0.00 0.00 0.00 0.00 175.10 176.01 1vfs n ALA 1306N 3.62 -2.67 -0.10 5.51 0.00 -1.26 -1.84 120.51 123.76 1vfs n ALA 1306Ca -0.21 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1vfs n ALA 1306Cb 0.54 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1vfs n ALA 1306CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vfs n GLY 1307N -1.76 0.44 3.20 0.00 0.00 -1.26 -4.93 105.19 100.89 1vfs n GLY 1307Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 1vfs n GLY 1307CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vfs s LYS 1308N -0.15 0.91 -0.05 1.61 1.02 -0.77 -5.12 119.74 117.20 1vfs s LYS 1308Ca 0.00 -1.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.50 1vfs s LYS 1308Cb 0.00 -0.66 -0.03 0.00 -0.52 0.00 0.00 37.83 36.62 1vfs s LYS 1308CO 0.00 0.11 1.12 0.42 -0.92 0.00 0.00 175.35 176.08 1vfs s ILE 1309N -2.35 4.46 0.38 2.17 -1.09 -1.26 -1.01 121.20 122.49 1vfs s ILE 1309Ca 0.07 1.76 0.08 0.00 -2.23 0.00 0.00 60.65 60.33 1vfs s ILE 1309Cb -0.03 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1vfs s ILE 1309CO 0.01 0.04 0.14 -0.13 -1.23 0.00 0.00 174.94 173.77 1vfs s ARG 1310N 1.85 2.25 0.03 2.79 1.81 0.44 -4.92 118.95 123.20 1vfs s ARG 1310Ca 0.54 -1.73 0.08 0.00 -1.72 0.00 0.00 55.73 52.90 1vfs s ARG 1310Cb -0.23 -2.04 -0.02 0.00 -0.45 0.00 0.00 34.95 32.20 1vfs s ARG 1310CO 0.22 -0.00 -0.23 0.50 -0.68 0.00 0.00 175.30 175.12 1vfs s ARG 1311N -3.86 1.59 0.22 3.54 6.06 -1.26 -0.50 118.95 124.74 1vfs s ARG 1311Ca 0.39 -0.97 -0.32 0.00 -2.50 0.00 0.00 55.73 52.33 1vfs s ARG 1311Cb 0.01 -1.70 -0.13 0.00 0.06 0.00 0.00 34.95 33.19 1vfs s ARG 1311CO 0.22 0.44 1.45 0.00 -2.50 0.00 0.00 175.30 174.92 1vfs n ALA 1312N 1.93 1.22 -2.79 6.12 0.00 -0.13 -4.36 120.51 122.51 1vfs n ALA 1312Ca -0.17 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 1vfs n ALA 1312Cb 0.53 -2.30 -0.09 0.00 0.00 0.00 0.00 19.45 17.59 1vfs n ALA 1312CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vfs s ALA 1313N 0.16 3.47 0.00 0.00 0.00 0.03 -3.41 121.76 122.02 1vfs s ALA 1313Ca 0.70 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1vfs s ALA 1313Cb -0.65 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1vfs s ALA 1313CO 0.47 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 175.04 1vfs n GLY 1314N 5.13 -1.19 3.75 0.00 0.00 -1.26 -4.53 105.19 107.10 1vfs n GLY 1314Ca -0.12 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1vfs n GLY 1314CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vfs s ARG 1315N 0.00 4.39 -0.07 1.61 3.00 -1.26 -2.22 118.95 124.41 1vfs s ARG 1315Ca 0.00 2.12 -0.24 0.00 0.00 0.00 0.00 55.73 57.60 1vfs s ARG 1315Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 34.95 31.78 1vfs s ARG 1315CO 0.00 -0.18 0.74 0.42 0.00 0.00 0.00 175.30 176.28 1vfs s ILE 1316N -0.59 5.01 0.66 1.52 1.01 -1.26 -4.69 121.20 122.86 1vfs s ILE 1316Ca 0.52 1.53 0.03 0.00 0.00 0.00 0.00 60.65 62.73 1vfs s ILE 1316Cb -0.38 -4.08 0.11 0.00 0.01 0.00 0.00 42.46 38.12 1vfs s ILE 1316CO 0.45 0.22 0.91 0.00 0.00 0.00 0.00 174.94 176.52 1vfs s ALA 1317N 0.97 4.07 0.22 9.38 0.00 -0.54 -4.82 121.76 131.03 1vfs s ALA 1317Ca 0.39 -1.86 -0.08 0.00 0.00 0.00 0.00 51.96 50.41 1vfs s ALA 1317Cb -0.18 -1.82 0.27 0.00 0.00 0.00 0.00 23.12 21.39 1vfs s ALA 1317CO 0.19 -1.21 1.81 1.98 0.00 0.00 0.00 175.76 178.52 1vfs h MET 1318N -0.25 0.68 -0.00 0.00 4.05 -1.95 -1.44 114.93 116.03 1vfs h MET 1318Ca -0.34 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.04 1vfs h MET 1318Cb 1.28 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1vfs h MET 1318CO 0.41 0.45 -0.06 -0.25 0.23 0.00 0.00 176.91 177.68 1vfs n ASP 1319N -4.78 0.60 -3.78 1.39 8.00 -1.26 -1.15 116.55 115.56 1vfs n ASP 1319Ca 0.09 -0.80 -0.05 0.00 0.71 0.00 0.00 54.79 54.75 1vfs n ASP 1319Cb 0.19 0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 41.84 1vfs n ASP 1319CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfs s GLN 1320N -0.80 1.41 -0.03 -1.24 -2.07 -1.23 -1.75 119.66 113.95 1vfs s GLN 1320Ca 0.02 -0.78 -0.30 0.00 -1.82 0.00 0.00 55.36 52.48 1vfs s GLN 1320Cb 0.02 0.48 0.07 0.00 -1.09 0.00 0.00 33.01 32.49 1vfs s GLN 1320CO 0.07 -0.65 0.66 -0.59 -1.32 0.00 0.00 175.29 173.46 1vfs s PHE 1321N -3.48 -0.63 0.29 9.60 -0.12 -0.42 -1.47 117.98 121.74 1vfs s PHE 1321Ca 0.12 1.04 0.07 0.00 -0.05 0.00 0.00 56.93 58.10 1vfs s PHE 1321Cb -0.03 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1vfs s PHE 1321CO 0.04 -0.62 0.33 0.14 -0.05 0.00 0.00 175.22 175.06 1vfs s VAL 1322N -1.38 4.28 0.04 -2.49 -7.23 -1.26 -0.51 120.40 111.85 1vfs s VAL 1322Ca -0.10 -1.20 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1vfs s VAL 1322Cb -0.00 -3.44 -0.02 0.00 0.56 0.00 0.00 36.38 33.47 1vfs s VAL 1322CO 0.08 -0.25 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.84 1vfs s VAL 1323N -2.16 0.71 -0.51 1.32 1.01 -0.21 -0.79 120.40 119.77 1vfs s VAL 1323Ca 0.38 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 1vfs s VAL 1323Cb -0.08 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.70 1vfs s VAL 1323CO 0.28 -0.18 0.47 -0.62 0.00 0.00 0.00 175.10 175.04 1vfs s ASP 1324N -1.21 6.17 0.00 3.32 -1.08 -1.26 -0.68 116.67 121.93 1vfs s ASP 1324Ca -0.04 -1.52 0.25 0.00 -0.52 0.00 0.00 52.55 50.72 1vfs s ASP 1324Cb -0.08 -2.20 1.29 0.00 -1.46 0.00 0.00 42.92 40.47 1vfs s ASP 1324CO 0.01 -0.77 1.85 0.18 0.52 0.00 0.00 175.17 176.96 1vfs n LEU 1325N 5.31 0.00 0.00 -1.34 4.77 0.31 -4.89 117.00 121.16 1vfs n LEU 1325Ca -0.13 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1vfs n LEU 1325Cb 0.42 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1vfs n LEU 1325CO 0.51 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1vfs n GLY 1326N 0.84 4.03 0.15 -0.72 0.00 -1.17 -1.43 105.19 106.89 1vfs n GLY 1326Ca 0.12 0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1vfs n GLY 1326CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vfs h GLU 1327N 0.00 0.00 -7.13 1.61 4.57 -1.92 -2.64 114.58 109.07 1vfs h GLU 1327Ca 0.00 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.63 1vfs h GLU 1327Cb 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 28.75 28.75 1vfs h GLU 1327CO 0.00 0.40 0.48 -0.51 -1.18 0.00 0.00 179.01 178.19 1vfs s ASP 1328N -6.37 4.46 0.14 1.04 1.11 -0.52 -5.00 116.67 111.54 1vfs s ASP 1328Ca 0.04 2.55 0.09 0.00 0.18 0.00 0.00 52.55 55.41 1vfs s ASP 1328Cb 0.07 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1vfs s ASP 1328CO 0.74 -2.10 -0.16 -0.76 1.18 0.00 0.00 175.17 174.07 1vfs s LEU 1329N -4.61 2.78 0.33 1.23 2.01 -1.26 -4.83 118.68 114.33 1vfs s LEU 1329Ca 0.80 -0.59 -0.18 0.00 0.01 0.00 0.00 54.13 54.17 1vfs s LEU 1329Cb -0.35 -1.56 0.04 0.00 0.01 0.00 0.00 46.19 44.33 1vfs s LEU 1329CO 0.41 0.15 0.77 0.00 1.01 0.00 0.00 176.35 178.69 1vfs s ALA 1330N -1.38 -0.97 0.06 4.21 0.00 -1.26 -4.92 121.76 117.49 1vfs s ALA 1330Ca 0.21 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 1vfs s ALA 1330Cb -0.10 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1vfs s ALA 1330CO 0.12 -1.01 0.05 -1.83 0.00 0.00 0.00 175.76 173.08 1vfs s GLU 1331N -2.99 0.65 0.29 0.00 -1.05 -1.26 -4.91 118.70 109.43 1vfs s GLU 1331Ca 0.14 -1.04 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 1vfs s GLU 1331Cb -0.05 0.24 -0.13 0.00 -0.44 0.00 0.00 34.13 33.74 1vfs s GLU 1331CO 0.09 -0.15 1.18 0.00 0.95 0.00 0.00 175.26 177.33 1vfs n ALA 1332N 0.26 0.48 0.00 -0.84 0.00 -1.26 -1.21 120.51 117.94 1vfs n ALA 1332Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1vfs n ALA 1332Cb 0.61 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1vfs n ALA 1332CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vfs n GLY 1333N 1.24 1.95 3.76 0.00 0.00 0.71 -4.91 105.19 107.94 1vfs n GLY 1333Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1vfs n GLY 1333CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vfs s ASP 1334N -2.00 6.06 0.30 1.61 -0.00 -0.35 -4.57 116.67 117.72 1vfs s ASP 1334Ca 0.00 2.57 -0.29 0.00 -0.00 0.00 0.00 52.55 54.83 1vfs s ASP 1334Cb 0.00 -2.63 -0.10 0.00 -0.00 0.00 0.00 42.92 40.20 1vfs s ASP 1334CO 0.00 -1.01 1.14 -0.70 -0.00 0.00 0.00 175.17 174.60 1vfs s GLU 1335N -2.51 4.55 -0.10 8.23 2.12 -1.26 -0.95 118.70 128.78 1vfs s GLU 1335Ca 0.62 1.88 0.00 0.00 0.36 0.00 0.00 54.97 57.83 1vfs s GLU 1335Cb -0.36 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 30.93 1vfs s GLU 1335CO 0.44 0.10 -0.08 0.00 -0.54 0.00 0.00 175.26 175.19 1vfs s ALA 1336N -1.18 1.26 -0.46 6.30 0.00 0.18 -4.61 121.76 123.25 1vfs s ALA 1336Ca 0.46 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 1vfs s ALA 1336Cb -0.33 -0.82 0.06 0.00 0.00 0.00 0.00 23.12 22.03 1vfs s ALA 1336CO 0.43 -0.31 0.37 0.08 0.00 0.00 0.00 175.76 176.33 1vfs s VAL 1337N 1.50 5.15 0.10 0.00 1.01 -0.87 -0.90 120.40 126.38 1vfs s VAL 1337Ca 0.01 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 1vfs s VAL 1337Cb -0.13 -4.05 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 1vfs s VAL 1337CO -0.06 -0.53 1.29 0.40 0.00 0.00 0.00 175.10 176.21 1vfs h ILE 1338N 5.76 1.27 -1.95 2.22 2.04 -1.60 -1.55 117.51 123.71 1vfs h ILE 1338Ca -0.28 -2.00 -0.04 0.00 1.00 0.00 0.00 64.86 63.54 1vfs h ILE 1338Cb 1.11 2.03 -0.20 0.00 -0.74 0.00 0.00 36.82 39.01 1vfs h ILE 1338CO 0.84 0.63 0.21 -1.48 0.00 0.00 0.00 178.15 178.36 1vfs s LEU 1339N -8.39 -0.66 0.00 1.44 0.05 -1.22 -4.60 118.68 105.30 1vfs s LEU 1339Ca -0.10 0.96 0.00 0.00 0.05 0.00 0.00 54.13 55.04 1vfs s LEU 1339Cb 0.08 2.43 0.00 0.00 -2.05 0.00 0.00 46.19 46.66 1vfs s LEU 1339CO 0.91 -0.44 0.00 0.61 -0.55 0.00 0.00 176.35 176.88 1vfs n GLY 1340N 1.60 0.83 3.65 -3.48 0.00 0.18 -0.34 105.19 107.63 1vfs n GLY 1340Ca -0.16 0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1vfs n GLY 1340CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vfs s ASP 1341N 2.00 5.63 0.46 1.61 3.68 -1.26 -4.59 116.67 124.20 1vfs s ASP 1341Ca 0.00 0.11 0.26 0.00 2.13 0.00 0.00 52.55 55.05 1vfs s ASP 1341Cb 0.00 -1.92 0.93 0.00 -1.45 0.00 0.00 42.92 40.48 1vfs s ASP 1341CO 0.00 0.21 1.83 0.00 0.13 0.00 0.00 175.17 177.33 1vfs h ALA 1342N 6.43 0.99 0.00 3.66 0.00 -1.85 -2.02 119.26 126.48 1vfs h ALA 1342Ca -0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1vfs h ALA 1342Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1vfs h ALA 1342CO 0.68 0.20 0.00 1.49 0.00 0.00 0.00 179.25 181.62 1vfs h GLU 1343N 0.00 0.00 -0.39 0.00 4.57 -1.94 -2.42 114.58 114.40 1vfs h GLU 1343Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1vfs h GLU 1343Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1vfs h GLU 1343CO 0.02 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.39 1vfs n ARG 1344N -2.72 3.17 -2.90 1.92 1.74 -0.94 -4.97 116.66 111.95 1vfs n ARG 1344Ca 0.02 -2.60 -0.17 0.00 -0.77 0.00 0.00 57.85 54.33 1vfs n ARG 1344Cb 0.31 -1.68 0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1vfs n ARG 1344CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vfs n GLY 1345N 0.25 -0.19 3.72 -0.13 0.00 -0.91 -5.00 105.19 102.93 1vfs n GLY 1345Ca 0.19 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1vfs n GLY 1345CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vfs s GLU 1346N -5.49 2.16 0.69 1.61 2.02 -0.80 -5.02 118.70 113.87 1vfs s GLU 1346Ca 0.26 -1.93 -0.13 0.00 0.02 0.00 0.00 54.97 53.19 1vfs s GLU 1346Cb -0.11 -1.89 0.01 0.00 0.10 0.00 0.00 34.13 32.24 1vfs s GLU 1346CO 0.32 -0.12 1.09 -2.14 0.02 0.00 0.00 175.26 174.43 1vfs s PRO 1347N -3.87 2.72 0.36 0.39 0.02 -1.26 -4.26 135.00 129.11 1vfs s PRO 1347Ca 0.38 1.23 0.05 0.00 0.02 0.00 0.00 61.00 62.68 1vfs s PRO 1347Cb 0.05 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 1vfs s PRO 1347CO 0.21 -1.29 0.04 0.95 -0.33 0.00 0.00 177.00 176.58 1vfs s THR 1348N -2.64 1.47 0.38 0.99 -4.23 -1.26 0.49 115.64 110.83 1vfs s THR 1348Ca 0.63 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.22 1vfs s THR 1348Cb -0.18 -2.84 0.30 0.00 1.34 0.00 0.00 72.50 71.12 1vfs s THR 1348CO 0.47 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.52 1vfs h ALA 1349N 1.96 1.76 -0.24 3.99 0.00 -1.94 -0.90 119.26 123.88 1vfs h ALA 1349Ca -0.42 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 1vfs h ALA 1349Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1vfs h ALA 1349CO 0.74 0.13 -0.50 1.49 0.00 0.00 0.00 179.25 181.10 1vfs h GLU 1350N 0.69 0.68 -0.66 0.00 4.57 -1.95 -1.87 114.58 116.04 1vfs h GLU 1350Ca 0.30 -0.41 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1vfs h GLU 1350Cb 0.30 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1vfs h GLU 1350CO -0.10 1.02 0.43 -0.44 -1.18 0.00 0.00 179.01 178.75 1vfs h ASP 1351N 0.53 0.75 0.08 1.04 3.45 -1.58 -1.92 116.42 118.77 1vfs h ASP 1351Ca 0.02 -0.02 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 1vfs h ASP 1351Cb 1.06 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.64 1vfs h ASP 1351CO 0.10 0.54 -0.54 -0.50 -1.57 0.00 0.00 179.24 177.27 1vfs h TRP 1352N 0.88 0.62 -0.59 4.55 4.06 -1.32 -1.96 115.95 122.19 1vfs h TRP 1352Ca 0.24 -0.22 0.04 0.00 2.06 0.00 0.00 58.89 61.02 1vfs h TRP 1352Cb -0.09 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 27.90 1vfs h TRP 1352CO -0.03 0.92 0.34 0.00 -3.56 0.00 0.00 178.44 176.11 1vfs h ALA 1353N 1.03 0.77 -0.41 1.49 0.00 -0.94 0.25 119.26 121.45 1vfs h ALA 1353Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1vfs h ALA 1353Cb 1.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1vfs h ALA 1353CO 0.10 0.03 -0.15 1.96 0.00 0.00 0.00 179.25 181.19 1vfs h GLN 1354N 0.65 0.76 -0.05 0.00 4.20 -1.21 0.84 115.11 120.29 1vfs h GLN 1354Ca 0.25 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 1vfs h GLN 1354Cb 0.10 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1vfs h GLN 1354CO -0.14 0.86 -0.40 0.00 -0.67 0.00 0.00 178.83 178.48 1vfs h ALA 1355N 1.15 1.24 -0.61 3.87 0.00 -0.58 -3.09 119.26 121.24 1vfs h ALA 1355Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1vfs h ALA 1355Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vfs h ALA 1355CO 0.04 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1vfs n ALA 1356N -2.47 2.45 -3.66 0.00 0.00 0.00 -4.17 120.51 112.66 1vfs n ALA 1356Ca -0.02 -1.34 -0.23 0.00 0.00 0.00 0.00 53.44 51.85 1vfs n ALA 1356Cb 0.45 -0.80 0.04 0.00 0.00 0.00 0.00 19.45 19.13 1vfs n ALA 1356CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vfs n HIS 1357N 1.21 -1.96 -2.90 0.00 -0.00 -0.53 -4.74 115.22 106.31 1vfs n HIS 1357Ca 0.21 0.74 0.00 0.00 -0.00 0.00 0.00 57.72 58.67 1vfs n HIS 1357Cb 0.62 -4.08 0.00 0.00 -0.00 0.00 0.00 29.99 26.53 1vfs n HIS 1357CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1vfs n THR 1358N -4.13 0.00 -4.26 1.59 5.66 0.18 -5.04 114.28 108.28 1vfs n THR 1358Ca -0.22 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.50 1vfs n THR 1358Cb 0.65 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.34 1vfs n THR 1358CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1vfs s ILE 1359N -2.13 3.29 0.53 1.09 -4.36 -1.26 -4.30 121.20 114.06 1vfs s ILE 1359Ca 0.00 -1.54 0.27 0.00 -0.26 0.00 0.00 60.65 59.12 1vfs s ILE 1359Cb 0.00 -2.61 0.43 0.00 1.25 0.00 0.00 42.46 41.53 1vfs s ILE 1359CO 0.00 -0.06 1.94 0.00 0.24 0.00 0.00 174.94 177.06 1vfs h ALA 1360N 3.04 2.63 -0.36 2.27 0.00 -1.88 -1.91 119.26 123.05 1vfs h ALA 1360Ca -0.47 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1vfs h ALA 1360Cb 1.20 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1vfs h ALA 1360CO 0.54 -0.84 -0.00 1.88 0.00 0.00 0.00 179.25 180.83 1vfs h TYR 1361N 0.03 -0.03 -0.65 0.00 0.05 -1.92 -2.79 116.97 111.67 1vfs h TYR 1361Ca 0.34 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 59.07 1vfs h TYR 1361Cb 1.32 0.07 -0.03 0.00 1.01 0.00 0.00 36.73 39.10 1vfs h TYR 1361CO -0.00 -0.07 0.09 1.49 -1.05 0.00 0.00 178.16 178.62 1vfs h GLU 1362N 0.09 1.08 0.19 4.88 4.81 -1.77 -2.96 114.58 120.91 1vfs h GLU 1362Ca 0.17 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1vfs h GLU 1362Cb 0.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1vfs h GLU 1362CO -0.29 1.00 -0.26 0.82 -0.73 0.00 0.00 179.01 179.55 1vfs h ILE 1363N 1.01 0.00 -0.81 2.32 1.08 -1.50 -1.10 117.51 118.51 1vfs h ILE 1363Ca 0.20 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.65 1vfs h ILE 1363Cb 0.46 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.17 1vfs h ILE 1363CO 0.02 0.00 0.45 -0.37 -0.69 0.00 0.00 178.15 177.55 1vfs h VAL 1364N -0.46 1.24 -0.00 1.67 -1.51 -1.66 -3.04 116.25 112.48 1vfs h VAL 1364Ca -0.02 -0.59 -0.06 0.00 -1.23 0.00 0.00 66.70 64.79 1vfs h VAL 1364Cb 0.42 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1vfs h VAL 1364CO -0.07 0.27 -0.29 0.74 -1.23 0.00 0.00 177.57 176.99 1vfs h THR 1365N 1.13 1.21 -0.44 7.19 2.02 -1.45 -3.01 112.91 119.55 1vfs h THR 1365Ca 0.29 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1vfs h THR 1365Cb 0.03 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1vfs h THR 1365CO -0.05 0.28 0.00 0.54 0.37 0.00 0.00 175.52 176.67 1vfs n ARG 1366N -4.20 2.03 -1.77 6.66 5.12 -0.42 -4.43 116.66 119.65 1vfs n ARG 1366Ca -0.02 -1.59 -0.43 0.00 -1.93 0.00 0.00 57.85 53.88 1vfs n ARG 1366Cb 0.34 -1.35 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 1vfs n ARG 1366CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1vfs s ILE 1367N -1.42 3.21 0.88 0.55 -1.09 -1.14 -4.20 121.20 118.00 1vfs s ILE 1367Ca 0.30 0.24 -0.15 0.00 -2.23 0.00 0.00 60.65 58.80 1vfs s ILE 1367Cb 0.15 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1vfs s ILE 1367CO 0.20 -0.09 0.15 0.61 -1.23 0.00 0.00 174.94 174.58 1vfs n GLY 1368N 5.02 -2.53 0.21 6.18 0.00 -0.54 -4.92 105.19 108.60 1vfs n GLY 1368Ca 0.23 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.75 1vfs n GLY 1368CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vfs h GLY 1369N -1.06 0.00 2.00 -0.02 0.00 -1.89 -2.68 103.07 99.41 1vfs h GLY 1369Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1vfs h GLY 1369CO 0.34 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.75 1vfs n ARG 1370N -2.78 0.19 -3.34 4.80 0.63 -1.26 -4.61 116.66 110.29 1vfs n ARG 1370Ca 0.02 0.41 -0.39 0.00 -0.92 0.00 0.00 57.85 56.97 1vfs n ARG 1370Cb 0.36 -1.86 -0.09 0.00 0.45 0.00 0.00 32.46 31.33 1vfs n ARG 1370CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1vfs s VAL 1371N -3.30 5.14 0.45 5.15 1.01 -1.01 -5.05 120.40 122.79 1vfs s VAL 1371Ca 0.05 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 1vfs s VAL 1371Cb 0.09 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 1vfs s VAL 1371CO 0.40 0.13 1.05 -2.16 0.00 0.00 0.00 175.10 174.52 1vfs s PRO 1372N 2.15 3.93 -0.09 2.72 0.04 -1.26 -4.77 135.00 137.72 1vfs s PRO 1372Ca 0.17 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1vfs s PRO 1372Cb -0.16 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1vfs s PRO 1372CO 0.10 -0.33 -0.02 1.03 0.04 0.00 0.00 177.00 177.81 1vfs s ARG 1373N -2.91 3.03 -0.15 4.56 3.00 -1.26 0.04 118.95 125.25 1vfs s ARG 1373Ca 0.63 -0.46 0.02 0.00 0.00 0.00 0.00 55.73 55.92 1vfs s ARG 1373Cb -0.19 -2.76 0.02 0.00 0.00 0.00 0.00 34.95 32.01 1vfs s ARG 1373CO 0.24 0.62 -0.20 0.08 0.00 0.00 0.00 175.30 176.04 1vfs s VAL 1374N -0.65 1.95 0.04 3.52 1.01 0.34 -4.92 120.40 121.68 1vfs s VAL 1374Ca 0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1vfs s VAL 1374Cb -0.12 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1vfs s VAL 1374CO 0.02 0.52 0.25 -0.31 0.00 0.00 0.00 175.10 175.58 1vfs s TYR 1375N 1.10 3.53 0.03 5.22 1.51 -1.26 0.38 117.35 127.86 1vfs s TYR 1375Ca -0.01 0.41 -0.08 0.00 -1.01 0.00 0.00 57.07 56.39 1vfs s TYR 1375Cb -0.14 -1.88 -0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1vfs s TYR 1375CO -0.07 0.58 0.15 -0.48 -1.11 0.00 0.00 175.55 174.62 1vfs s LEU 1376N -2.20 1.55 0.00 -1.29 2.34 -0.41 -4.94 118.68 113.73 1vfs s LEU 1376Ca 0.32 -0.36 0.00 0.00 0.06 0.00 0.00 54.13 54.15 1vfs s LEU 1376Cb -0.13 0.77 0.00 0.00 -0.56 0.00 0.00 46.19 46.27 1vfs s LEU 1376CO 0.22 -0.48 0.00 0.61 -1.06 0.00 0.00 176.35 175.64 1vfs n GLY 1377N 0.96 -2.16 7.00 -3.48 0.00 -1.26 -0.27 105.19 105.98 1vfs n GLY 1377Ca -0.20 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1vfs n GLY 1377CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vfs n GLY 1378N -0.19 0.95 3.89 -0.02 0.00 -1.26 -4.66 105.19 103.91 1vfs n GLY 1378Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1vfs n GLY 1378CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vfs s LEU 1379N 0.00 4.20 0.22 0.99 1.43 -1.26 -5.01 118.68 119.25 1vfs s LEU 1379Ca 0.00 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 1vfs s LEU 1379Cb 0.00 -2.80 0.29 0.00 0.03 0.00 0.00 46.19 43.71 1vfs s LEU 1379CO 0.00 0.11 1.63 -0.08 0.23 0.00 0.00 176.35 178.24 1vfs h GLU 1380N 2.66 0.04 0.00 1.70 4.81 -2.03 0.15 114.58 121.92 1vfs h GLU 1380Ca -0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1vfs h GLU 1380Cb 1.18 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1vfs h GLU 1380CO 0.70 0.02 0.00 -2.39 -0.73 0.00 0.00 179.01 176.62 1vfs n HIS 1381N -5.39 0.48 0.21 0.92 1.44 -1.26 -1.11 115.22 110.50 1vfs n HIS 1381Ca 0.09 0.24 0.07 0.00 -2.01 0.00 0.00 57.72 56.12 1vfs n HIS 1381Cb 0.36 -0.89 0.43 0.00 0.12 0.00 0.00 29.99 30.01 1vfs n HIS 1381CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1vfs h HIS 1382N 0.00 0.00 0.00 -1.40 3.86 -1.04 -3.09 115.15 113.48 1vfs h HIS 1382Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vfs h HIS 1382Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1vfs h HIS 1382CO 0.00 0.30 0.00 0.72 0.86 0.00 0.00 177.93 179.81 1vfs n HIS 1383N -3.57 0.00 0.39 2.45 -0.00 -0.27 -3.95 115.22 110.27 1vfs n HIS 1383Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.76 1vfs n HIS 1383Cb 0.44 -0.01 0.04 0.00 -0.00 0.00 0.00 29.99 30.46 1vfs n HIS 1383CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06