#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwb n PRO 1002N 0.00 0.88 0.24 0.00 -0.02 -1.26 -4.90 135.00 129.94 3kwb n PRO 1002Ca 0.00 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 61.91 3kwb n PRO 1002Cb 0.00 -2.39 0.58 0.00 -0.02 0.00 0.00 33.50 31.66 3kwb n PRO 1002CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kwb h ASP 1003N 0.26 0.00 -4.99 2.55 3.32 -2.04 -3.43 116.42 112.09 3kwb h ASP 1003Ca -0.49 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.45 3kwb h ASP 1003Cb 1.34 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.70 3kwb h ASP 1003CO 0.51 0.15 -0.20 -0.94 -1.72 0.00 0.00 179.24 177.04 3kwb s SER 1004N -6.82 -0.26 -0.02 6.45 1.04 -1.26 -4.65 113.70 108.17 3kwb s SER 1004Ca -0.04 0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.52 3kwb s SER 1004Cb 0.15 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3kwb s SER 1004CO 0.67 -0.48 0.10 -0.69 0.98 0.00 0.00 173.24 173.81 3kwb s VAL 1005N -1.37 0.05 -0.32 5.02 1.01 -0.09 -4.95 120.40 119.74 3kwb s VAL 1005Ca -0.13 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3kwb s VAL 1005Cb -0.04 -0.28 0.15 0.00 0.00 0.00 0.00 36.38 36.21 3kwb s VAL 1005CO 0.05 -0.22 0.36 -0.62 0.00 0.00 0.00 175.10 174.67 3kwb s ASP 1006N -0.73 1.07 0.08 3.32 -1.08 -1.26 -0.26 116.67 117.81 3kwb s ASP 1006Ca -0.08 -0.96 0.11 0.00 -0.52 0.00 0.00 52.55 51.10 3kwb s ASP 1006Cb -0.05 0.72 0.52 0.00 -1.46 0.00 0.00 42.92 42.65 3kwb s ASP 1006CO 0.00 -0.33 1.36 -1.22 0.52 0.00 0.00 175.17 175.50 3kwb n TYR 1007N 4.91 0.22 0.08 -5.34 4.01 -0.12 -1.42 117.16 119.49 3kwb n TYR 1007Ca 0.04 0.10 -0.01 0.00 -0.16 0.00 0.00 57.90 57.87 3kwb n TYR 1007Cb 0.47 -0.66 0.27 0.00 -0.31 0.00 0.00 39.34 39.11 3kwb n TYR 1007CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kwb h ARG 1008N 0.00 0.30 0.00 -0.72 3.08 -1.95 -1.45 114.38 113.65 3kwb h ARG 1008Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3kwb h ARG 1008Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3kwb h ARG 1008CO 0.00 0.56 0.00 1.63 -1.07 0.00 0.00 179.97 181.09 3kwb n LYS 1009N -4.13 0.21 -0.52 0.04 5.02 -0.51 -2.90 118.16 115.37 3kwb n LYS 1009Ca -0.01 0.31 0.08 0.00 -2.02 0.00 0.00 58.31 56.67 3kwb n LYS 1009Cb 0.39 -1.81 0.29 0.00 -0.02 0.00 0.00 35.03 33.87 3kwb n LYS 1009CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kwb n LYS 1010N -2.19 3.42 -1.81 1.97 5.02 -0.60 -4.97 118.16 119.00 3kwb n LYS 1010Ca 0.04 -2.80 -0.16 0.00 -2.02 0.00 0.00 58.31 53.37 3kwb n LYS 1010Cb 0.32 -1.85 -0.05 0.00 -0.02 0.00 0.00 35.03 33.43 3kwb n LYS 1010CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwb n GLY 1011N 0.09 0.87 0.12 0.72 0.00 -1.12 -4.90 105.19 100.97 3kwb n GLY 1011Ca 0.22 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3kwb n GLY 1011CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kwb n TYR 1012N -3.12 0.00 -5.18 1.61 4.02 -0.89 -4.82 117.16 108.78 3kwb n TYR 1012Ca -0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.40 3kwb n TYR 1012Cb 0.58 -0.16 -0.17 0.00 -0.02 0.00 0.00 39.34 39.58 3kwb n TYR 1012CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kwb s VAL 1013N -2.78 1.99 0.65 -0.72 1.01 -1.26 -3.73 120.40 115.56 3kwb s VAL 1013Ca 0.16 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 3kwb s VAL 1013Cb 0.18 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.87 3kwb s VAL 1013CO 0.65 0.55 0.98 0.42 0.00 0.00 0.00 175.10 177.69 3kwb s THR 1014N 0.26 3.15 0.94 3.92 -4.23 -1.26 -4.99 115.64 113.42 3kwb s THR 1014Ca -0.16 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.25 3kwb s THR 1014Cb -0.17 -3.30 0.16 0.00 1.34 0.00 0.00 72.50 70.53 3kwb s THR 1014CO 0.08 -0.34 1.12 -2.16 -0.54 0.00 0.00 174.62 172.78 3kwb s PRO 1015N -5.16 0.84 0.37 3.99 0.04 -1.26 -4.94 135.00 128.88 3kwb s PRO 1015Ca 0.57 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.71 3kwb s PRO 1015Cb -0.11 -1.72 -0.11 0.00 0.04 0.00 0.00 34.50 32.61 3kwb s PRO 1015CO 0.46 -2.70 1.43 0.08 0.04 0.00 0.00 177.00 176.32 3kwb s VAL 1016N -2.65 2.24 0.39 -0.36 1.01 -1.26 -5.02 120.40 114.74 3kwb s VAL 1016Ca 0.66 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.96 3kwb s VAL 1016Cb -0.22 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3kwb s VAL 1016CO 0.59 0.06 0.24 -0.54 0.00 0.00 0.00 175.10 175.44 3kwb s LYS 1017N -2.03 2.38 -0.27 2.72 -0.14 -1.26 -4.78 119.74 116.36 3kwb s LYS 1017Ca 0.52 -1.65 0.02 0.00 -1.36 0.00 0.00 55.97 53.50 3kwb s LYS 1017Cb -0.44 -2.18 0.07 0.00 -1.68 0.00 0.00 37.83 33.60 3kwb s LYS 1017CO 0.60 -0.07 -0.02 1.21 -0.76 0.00 0.00 175.35 176.30 3kwb s ASN 1018N -3.97 4.21 0.26 2.83 3.84 -1.26 -1.03 114.94 119.82 3kwb s ASN 1018Ca 0.42 -1.50 0.24 0.00 0.21 0.00 0.00 52.86 52.24 3kwb s ASN 1018Cb -0.00 -1.32 0.97 0.00 -0.55 0.00 0.00 41.25 40.34 3kwb s ASN 1018CO 0.24 -0.28 1.73 0.00 -2.79 0.00 0.00 177.10 176.01 3kwb n GLN 1019N 4.54 0.22 0.00 0.43 10.64 -0.12 -4.91 117.38 128.18 3kwb n GLN 1019Ca -0.08 0.39 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 3kwb n GLN 1019Cb 0.43 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.93 3kwb n GLN 1019CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kwb n GLY 1020N 0.23 1.13 1.69 2.61 0.00 -1.26 -3.35 105.19 106.24 3kwb n GLY 1020Ca 0.03 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.40 3kwb n GLY 1020CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kwb n GLN 1021N 12.58 4.24 -3.94 1.61 6.02 -1.26 -4.89 117.38 131.74 3kwb n GLN 1021Ca 0.00 -3.02 -0.35 0.00 -0.01 0.00 0.00 57.00 53.63 3kwb n GLN 1021Cb 0.00 -2.06 -0.09 0.00 1.02 0.00 0.00 30.24 29.11 3kwb n GLN 1021CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kwb n GLY 1023N 3.39 3.79 1.91 0.00 0.00 -0.92 -4.52 105.19 108.84 3kwb n GLY 1023Ca -0.17 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3kwb n GLY 1023CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kwb n SER 1024N 3.27 4.23 -0.33 1.61 3.41 -1.26 -3.97 113.62 120.58 3kwb n SER 1024Ca 0.66 -3.38 0.15 0.00 -0.26 0.00 0.00 58.87 56.04 3kwb n SER 1024Cb 0.43 -0.75 0.37 0.00 -0.26 0.00 0.00 64.21 64.01 3kwb n SER 1024CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwb h TRP 1026N 0.66 0.01 -0.05 0.00 5.08 -1.83 0.74 115.95 120.57 3kwb h TRP 1026Ca 0.56 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 60.38 3kwb h TRP 1026Cb 1.01 -0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.18 3kwb h TRP 1026CO -0.00 0.01 -0.57 0.00 -1.28 0.00 0.00 178.44 176.59 3kwb h ALA 1027N 1.96 0.14 -0.56 0.11 0.00 -0.98 -1.68 119.26 118.25 3kwb h ALA 1027Ca 0.04 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 3kwb h ALA 1027Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kwb h ALA 1027CO -0.00 0.38 -0.03 0.74 0.00 0.00 0.00 179.25 180.34 3kwb h PHE 1028N 0.04 1.09 0.01 0.00 -1.00 -1.14 -0.53 116.94 115.40 3kwb h PHE 1028Ca -0.06 -0.19 -0.00 0.00 2.81 0.00 0.00 57.97 60.53 3kwb h PHE 1028Cb 1.24 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.52 3kwb h PHE 1028CO 0.13 0.98 -0.00 1.03 -1.61 0.00 0.00 178.31 178.84 3kwb h SER 1029N 0.91 -0.01 -0.66 2.17 0.87 -0.88 0.46 113.55 116.41 3kwb h SER 1029Ca 0.16 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3kwb h SER 1029Cb 0.57 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 3kwb h SER 1029CO 0.03 0.04 0.42 0.28 -0.53 0.00 0.00 176.83 177.08 3kwb h SER 1030N -0.06 0.77 -0.72 6.23 0.02 -1.18 -1.95 113.55 116.66 3kwb h SER 1030Ca -0.00 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3kwb h SER 1030Cb 0.05 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3kwb h SER 1030CO 0.00 0.57 0.27 0.58 -1.14 0.00 0.00 176.83 177.11 3kwb h VAL 1031N 0.89 1.25 -0.23 2.27 2.07 -0.89 -1.24 116.25 120.38 3kwb h VAL 1031Ca 0.24 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3kwb h VAL 1031Cb -0.08 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3kwb h VAL 1031CO -0.05 0.33 0.12 1.23 0.02 0.00 0.00 177.57 179.22 3kwb h GLY 1032N 1.04 0.34 1.01 2.17 0.00 -0.51 0.10 103.07 107.21 3kwb h GLY 1032Ca 0.24 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.42 3kwb h GLY 1032CO -0.02 0.15 0.47 0.00 0.00 0.00 0.00 176.54 177.15 3kwb h ALA 1033N 1.00 0.91 -0.54 3.60 0.00 -1.20 -2.29 119.26 120.74 3kwb h ALA 1033Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kwb h ALA 1033Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kwb h ALA 1033CO -0.01 0.33 0.14 -0.07 0.00 0.00 0.00 179.25 179.64 3kwb h LEU 1034N 0.97 0.81 -1.52 0.00 3.38 -0.92 -2.69 115.31 115.34 3kwb h LEU 1034Ca 0.26 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kwb h LEU 1034Cb -0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3kwb h LEU 1034CO -0.06 0.83 0.34 -0.33 0.09 0.00 0.00 178.44 179.31 3kwb h GLU 1035N 0.76 0.63 -0.23 1.13 5.08 -0.46 -0.55 114.58 120.94 3kwb h GLU 1035Ca 0.17 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3kwb h GLU 1035Cb 0.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3kwb h GLU 1035CO 0.00 0.42 -0.12 0.78 -1.00 0.00 0.00 179.01 179.09 3kwb h GLY 1036N 0.65 0.53 1.07 -3.84 0.00 -1.13 -2.45 103.07 97.90 3kwb h GLY 1036Ca 0.19 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 3kwb h GLY 1036CO -0.05 0.44 -0.10 1.46 0.00 0.00 0.00 176.54 178.30 3kwb h GLN 1037N 0.20 0.98 -0.90 4.80 1.08 -1.12 -1.76 115.11 118.39 3kwb h GLN 1037Ca 0.05 -0.36 0.06 0.00 -1.45 0.00 0.00 58.65 56.94 3kwb h GLN 1037Cb 0.63 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.93 3kwb h GLN 1037CO 0.04 1.04 0.57 1.25 -0.95 0.00 0.00 178.83 180.77 3kwb h LEU 1038N 0.85 0.91 -0.40 1.46 5.85 -1.11 0.13 115.31 123.00 3kwb h LEU 1038Ca 0.13 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3kwb h LEU 1038Cb 0.66 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3kwb h LEU 1038CO 0.05 0.59 0.09 0.50 -0.34 0.00 0.00 178.44 179.33 3kwb h LYS 1039N 1.05 0.65 -0.54 1.25 1.63 -1.18 0.19 116.57 119.61 3kwb h LYS 1039Ca 0.38 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 3kwb h LYS 1039Cb 0.13 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3kwb h LYS 1039CO -0.16 0.68 0.18 -0.22 -3.45 0.00 0.00 179.45 176.48 3kwb h LYS 1040N 0.51 0.80 0.22 1.90 3.64 -0.46 0.29 116.57 123.48 3kwb h LYS 1040Ca 0.13 -0.14 -0.35 0.00 -1.27 0.00 0.00 60.65 59.02 3kwb h LYS 1040Cb 0.33 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3kwb h LYS 1040CO 0.00 0.68 -1.63 -0.22 -2.27 0.00 0.00 179.45 176.01 3kwb h LYS 1041N 0.79 0.47 0.00 1.90 3.64 -0.51 -3.40 116.57 119.45 3kwb h LYS 1041Ca 0.18 -0.80 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 3kwb h LYS 1041Cb 0.21 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3kwb h LYS 1041CO -0.01 1.38 -1.24 0.25 -2.27 0.00 0.00 179.45 177.56 3kwb n THR 1042N -3.65 0.00 -0.52 1.00 -2.24 0.63 -4.99 114.28 104.52 3kwb n THR 1042Ca -0.21 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3kwb n THR 1042Cb 1.09 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 3kwb n THR 1042CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwb n GLY 1043N 1.59 1.04 3.66 3.38 0.00 0.10 -5.03 105.19 109.92 3kwb n GLY 1043Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3kwb n GLY 1043CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwb s LYS 1044N -0.36 2.76 -0.21 1.61 1.02 -1.25 -4.99 119.74 118.31 3kwb s LYS 1044Ca 0.00 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.35 3kwb s LYS 1044Cb 0.00 -2.64 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3kwb s LYS 1044CO 0.00 0.63 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.84 3kwb s LEU 1045N -1.38 2.86 0.03 3.17 2.96 -1.26 -3.32 118.68 121.74 3kwb s LEU 1045Ca 0.18 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3kwb s LEU 1045Cb -0.11 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3kwb s LEU 1045CO 0.08 -0.00 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.27 3kwb s LEU 1046N 1.38 2.20 -0.15 -0.68 1.43 -1.26 -5.11 118.68 116.49 3kwb s LEU 1046Ca 0.05 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 3kwb s LEU 1046Cb -0.14 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 3kwb s LEU 1046CO -0.03 -0.14 1.32 0.20 0.23 0.00 0.00 176.35 177.93 3kwb s ASN 1047N -1.27 6.90 0.45 2.29 0.02 -1.26 -4.83 114.94 117.23 3kwb s ASN 1047Ca -0.07 1.75 -0.01 0.00 -1.02 0.00 0.00 52.86 53.51 3kwb s ASN 1047Cb -0.08 -2.54 -0.01 0.00 0.02 0.00 0.00 41.25 38.64 3kwb s ASN 1047CO 0.00 -0.79 0.69 -0.76 0.02 0.00 0.00 177.10 176.26 3kwb s LEU 1048N 3.60 3.65 -0.47 0.60 1.43 -1.26 -0.26 118.68 125.98 3kwb s LEU 1048Ca 0.57 0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 53.89 3kwb s LEU 1048Cb -0.23 -3.30 0.03 0.00 0.03 0.00 0.00 46.19 42.72 3kwb s LEU 1048CO 0.17 -0.67 0.71 -0.55 0.23 0.00 0.00 176.35 176.24 3kwb s SER 1049N -4.19 6.32 0.21 2.29 0.15 -0.44 -3.97 113.70 114.08 3kwb s SER 1049Ca 0.48 -0.41 0.10 0.00 0.70 0.00 0.00 55.95 56.81 3kwb s SER 1049Cb -0.10 -2.34 0.11 0.00 -1.71 0.00 0.00 66.02 61.97 3kwb s SER 1049CO 0.39 -0.89 1.46 1.55 1.20 0.00 0.00 173.24 176.95 3kwb h PRO 1050N 8.98 0.00 -0.28 5.44 0.13 -1.85 -3.10 132.00 141.33 3kwb h PRO 1050Ca -0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 3kwb h PRO 1050Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3kwb h PRO 1050CO 0.95 0.77 -0.11 0.37 -0.23 0.00 0.00 178.00 179.75 3kwb h GLN 1051N 0.00 0.46 -0.89 0.86 5.75 -1.85 -0.07 115.11 119.39 3kwb h GLN 1051Ca -0.01 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.41 3kwb h GLN 1051Cb 1.40 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.84 3kwb h GLN 1051CO 0.10 0.58 0.56 -0.97 -2.65 0.00 0.00 178.83 176.45 3kwb h ASN 1052N 0.43 0.92 -0.05 -0.69 -0.00 -1.77 -0.58 115.58 113.83 3kwb h ASN 1052Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.32 3kwb h ASN 1052Cb 0.46 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.59 3kwb h ASN 1052CO 0.03 0.61 -0.24 -0.07 -0.00 0.00 0.00 177.43 177.75 3kwb h LEU 1053N 1.06 0.30 -0.56 0.34 -0.00 -1.38 -1.87 115.31 113.20 3kwb h LEU 1053Ca 0.37 -0.66 0.09 0.00 -0.00 0.00 0.00 57.88 57.68 3kwb h LEU 1053Cb 0.08 -0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 40.58 3kwb h LEU 1053CO -0.14 0.91 0.16 0.58 -0.00 0.00 0.00 178.44 179.94 3kwb h VAL 1054N -0.29 0.73 0.00 1.22 2.07 -0.71 -0.09 116.25 119.18 3kwb h VAL 1054Ca -0.02 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 3kwb h VAL 1054Cb 0.90 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3kwb h VAL 1054CO 0.05 0.06 -0.79 0.44 0.02 0.00 0.00 177.57 177.35 3kwb h ASP 1055N 0.31 0.00 0.00 0.57 3.32 -1.18 -3.37 116.42 116.07 3kwb h ASP 1055Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3kwb h ASP 1055Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3kwb h ASP 1055CO -0.33 0.69 -0.90 0.00 -1.72 0.00 0.00 179.24 176.98 3kwb s VAL 1057N -2.51 4.72 0.13 0.00 1.01 -0.07 -4.81 120.40 118.86 3kwb s VAL 1057Ca 0.03 -1.63 0.33 0.00 0.00 0.00 0.00 61.98 60.72 3kwb s VAL 1057Cb 0.11 -4.80 0.36 0.00 0.00 0.00 0.00 36.38 32.04 3kwb s VAL 1057CO 0.60 -1.54 2.01 0.77 0.00 0.00 0.00 175.10 176.94 3kwb h SER 1058N 8.74 0.00 0.85 3.32 4.64 -1.87 -0.92 113.55 128.30 3kwb h SER 1058Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3kwb h SER 1058Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3kwb h SER 1058CO 1.13 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.76 3kwb h GLU 1059N 0.00 0.00 0.00 4.77 3.07 -1.94 -3.44 114.58 117.04 3kwb h GLU 1059Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 3kwb h GLU 1059Cb 0.24 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 3kwb h GLU 1059CO 0.00 0.00 -0.16 0.09 -1.40 0.00 0.00 179.01 177.54 3kwb n ASN 1060N -2.33 2.04 -0.95 1.42 5.03 -0.35 -4.90 115.26 115.22 3kwb n ASN 1060Ca 0.02 -1.96 -0.00 0.00 0.87 0.00 0.00 54.58 53.51 3kwb n ASN 1060Cb 0.26 0.02 0.20 0.00 -1.02 0.00 0.00 39.78 39.25 3kwb n ASN 1060CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3kwb n ASP 1061N -1.75 2.21 0.00 6.41 8.00 0.16 -4.98 116.55 126.61 3kwb n ASP 1061Ca -0.03 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.66 3kwb n ASP 1061Cb 0.31 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3kwb n ASP 1061CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kwb n GLY 1062N -1.12 3.43 0.15 0.44 0.00 -1.18 -0.42 105.19 106.49 3kwb n GLY 1062Ca 0.28 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3kwb n GLY 1062CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwb n GLY 1064N -0.12 -0.90 0.00 0.00 0.00 0.43 -2.17 105.19 102.44 3kwb n GLY 1064Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3kwb n GLY 1064CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwb n GLY 1065N 1.15 3.07 0.00 -0.02 0.00 -1.04 -4.87 105.19 103.48 3kwb n GLY 1065Ca 0.19 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3kwb n GLY 1065CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwb n GLY 1066N -1.73 1.51 3.40 -0.02 0.00 -1.26 0.40 105.19 107.49 3kwb n GLY 1066Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 3kwb n GLY 1066CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwb s TYR 1067N -2.00 2.37 0.33 1.61 2.02 -1.26 -4.76 117.35 115.66 3kwb s TYR 1067Ca 0.00 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 3kwb s TYR 1067Cb 0.00 -1.33 0.59 0.00 -0.40 0.00 0.00 41.96 40.82 3kwb s TYR 1067CO 0.00 0.27 1.82 0.52 -1.57 0.00 0.00 175.55 176.59 3kwb h MET 1068N 4.20 0.37 -0.68 -0.62 2.86 -1.98 -2.86 114.93 116.22 3kwb h MET 1068Ca -0.49 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.06 3kwb h MET 1068Cb 1.16 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 3kwb h MET 1068CO 0.42 0.54 0.43 1.79 1.06 0.00 0.00 176.91 181.16 3kwb h THR 1069N 0.34 1.10 -0.16 2.22 1.35 -1.95 -0.96 112.91 114.86 3kwb h THR 1069Ca 0.06 -0.29 -0.06 0.00 -0.55 0.00 0.00 66.41 65.57 3kwb h THR 1069Cb 0.52 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.10 3kwb h THR 1069CO 0.03 0.15 -0.18 0.78 -0.25 0.00 0.00 175.52 176.06 3kwb h ASN 1070N 0.85 0.25 -0.06 5.36 -0.26 -1.92 -2.24 115.58 117.56 3kwb h ASN 1070Ca 0.27 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 3kwb h ASN 1070Cb 0.00 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 3kwb h ASN 1070CO -0.10 0.45 -0.01 0.00 -1.06 0.00 0.00 177.43 176.71 3kwb h ALA 1071N 1.58 0.09 -0.96 -0.83 0.00 -1.11 -1.37 119.26 116.65 3kwb h ALA 1071Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kwb h ALA 1071Cb 0.46 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3kwb h ALA 1071CO 0.03 -0.22 0.64 0.74 0.00 0.00 0.00 179.25 180.44 3kwb h PHE 1072N -0.20 1.21 -0.50 0.00 0.04 -1.04 -1.75 116.94 114.70 3kwb h PHE 1072Ca 0.02 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 3kwb h PHE 1072Cb 0.38 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3kwb h PHE 1072CO 0.04 0.75 -0.01 0.37 -0.60 0.00 0.00 178.31 178.86 3kwb h GLN 1073N 1.29 0.85 -0.17 1.51 4.15 -1.29 -2.22 115.11 119.24 3kwb h GLN 1073Ca 0.36 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 3kwb h GLN 1073Cb -0.13 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 3kwb h GLN 1073CO -0.08 0.86 0.09 -0.92 -1.93 0.00 0.00 178.83 176.85 3kwb h TYR 1074N 0.79 0.23 -0.75 3.99 3.20 -0.46 0.58 116.97 124.54 3kwb h TYR 1074Ca 0.15 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.07 3kwb h TYR 1074Cb 0.49 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 3kwb h TYR 1074CO 0.03 0.23 0.45 0.28 -1.64 0.00 0.00 178.16 177.50 3kwb h VAL 1075N 0.17 1.01 0.59 1.81 2.07 -1.15 0.82 116.25 121.57 3kwb h VAL 1075Ca 0.06 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3kwb h VAL 1075Cb 0.07 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3kwb h VAL 1075CO -0.01 0.15 -0.28 -0.61 0.02 0.00 0.00 177.57 176.84 3kwb h GLN 1076N 0.83 -0.76 -0.75 1.57 4.15 -1.13 0.15 115.11 119.16 3kwb h GLN 1076Ca 0.33 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.78 3kwb h GLN 1076Cb 0.16 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 3kwb h GLN 1076CO -0.17 -0.45 0.38 0.87 -1.93 0.00 0.00 178.83 177.53 3kwb h LYS 1077N -0.99 1.06 0.00 1.69 1.57 -0.64 -1.81 116.57 117.44 3kwb h LYS 1077Ca -0.08 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3kwb h LYS 1077Cb 0.66 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3kwb h LYS 1077CO 0.13 0.81 0.00 -1.71 -0.57 0.00 0.00 179.45 178.11 3kwb n ASN 1078N -4.42 0.20 -2.09 0.86 5.15 0.28 -4.88 115.26 110.35 3kwb n ASN 1078Ca 0.07 0.55 -0.16 0.00 -0.60 0.00 0.00 54.58 54.44 3kwb n ASN 1078Cb 0.11 -0.59 0.02 0.00 -0.53 0.00 0.00 39.78 38.79 3kwb n ASN 1078CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kwb n ARG 1079N -1.72 -2.98 0.00 1.20 1.74 -0.63 -4.93 116.66 109.35 3kwb n ARG 1079Ca 0.03 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 3kwb n ARG 1079Cb 0.20 -4.99 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 3kwb n ARG 1079CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kwb n GLY 1080N -1.24 3.77 2.94 -0.13 0.00 0.42 -4.90 105.19 106.05 3kwb n GLY 1080Ca -0.10 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 3kwb n GLY 1080CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kwb s ILE 1081N -2.00 0.19 0.70 -0.61 2.07 -0.29 -4.69 121.20 116.57 3kwb s ILE 1081Ca 0.00 -0.38 -0.11 0.00 -1.41 0.00 0.00 60.65 58.75 3kwb s ILE 1081Cb 0.00 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.38 3kwb s ILE 1081CO 0.00 -0.12 1.08 -1.81 -1.91 0.00 0.00 174.94 172.18 3kwb s ASP 1082N -0.52 5.46 0.62 4.50 1.01 -1.26 -0.99 116.67 125.49 3kwb s ASP 1082Ca -0.04 1.29 -0.13 0.00 0.71 0.00 0.00 52.55 54.39 3kwb s ASP 1082Cb -0.04 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 3kwb s ASP 1082CO -0.00 -1.35 1.03 -0.94 0.21 0.00 0.00 175.17 174.12 3kwb s SER 1083N -4.16 6.01 0.34 0.27 1.04 -0.87 -1.32 113.70 115.01 3kwb s SER 1083Ca 0.58 1.56 0.02 0.00 0.48 0.00 0.00 55.95 58.59 3kwb s SER 1083Cb -0.12 -2.49 0.63 0.00 0.10 0.00 0.00 66.02 64.13 3kwb s SER 1083CO 0.53 -1.02 1.99 -0.08 0.98 0.00 0.00 173.24 175.65 3kwb h GLU 1084N -0.08 0.86 -0.23 4.02 4.57 -0.75 -1.76 114.58 121.20 3kwb h GLU 1084Ca -0.45 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.60 3kwb h GLU 1084Cb 1.20 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 3kwb h GLU 1084CO 0.60 0.57 -0.20 -0.44 -1.18 0.00 0.00 179.01 178.35 3kwb h ASP 1085N 0.88 0.41 1.51 1.04 3.32 -1.92 0.56 116.42 122.21 3kwb h ASP 1085Ca 0.27 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kwb h ASP 1085Cb -0.02 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3kwb h ASP 1085CO -0.07 0.63 -0.14 0.00 -1.72 0.00 0.00 179.24 177.94 3kwb h ALA 1086N 1.41 0.91 -0.90 3.45 0.00 -1.67 -3.38 119.26 119.09 3kwb h ALA 1086Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.61 3kwb h ALA 1086Cb 0.57 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.11 3kwb h ALA 1086CO 0.04 0.00 -0.76 0.98 0.00 0.00 0.00 179.25 179.51 3kwb n TYR 1087N -2.49 -2.09 -1.07 0.00 4.19 -0.78 -4.94 117.16 109.98 3kwb n TYR 1087Ca 0.05 -2.52 -0.35 0.00 3.31 0.00 0.00 57.90 58.38 3kwb n TYR 1087Cb 0.47 0.75 0.08 0.00 0.49 0.00 0.00 39.34 41.12 3kwb n TYR 1087CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3kwb n PRO 1088N 1.60 0.05 -3.19 2.98 -0.02 0.16 -4.54 135.00 132.05 3kwb n PRO 1088Ca 0.15 0.05 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 3kwb n PRO 1088Cb 0.58 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.36 3kwb n PRO 1088CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3kwb s TYR 1089N -2.08 3.65 0.00 6.00 5.04 -1.26 -4.73 117.35 123.97 3kwb s TYR 1089Ca 0.58 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 3kwb s TYR 1089Cb -0.29 -2.63 0.00 0.00 0.35 0.00 0.00 41.96 39.39 3kwb s TYR 1089CO 0.65 0.30 0.00 1.33 -1.34 0.00 0.00 175.55 176.49 3kwb n VAL 1090N 2.96 0.00 -2.84 3.14 0.24 -1.26 -5.05 118.33 115.51 3kwb n VAL 1090Ca -0.06 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.14 3kwb n VAL 1090Cb 0.51 -0.55 0.04 0.00 -1.47 0.00 0.00 33.84 32.37 3kwb n VAL 1090CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kwb n GLY 1091N 2.39 0.12 3.20 7.63 0.00 -1.26 -5.03 105.19 112.25 3kwb n GLY 1091Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3kwb n GLY 1091CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kwb s GLN 1092N -5.08 0.65 0.08 1.61 0.74 -1.26 -4.44 119.66 111.96 3kwb s GLN 1092Ca 0.12 -0.35 -0.31 0.00 0.05 0.00 0.00 55.36 54.88 3kwb s GLN 1092Cb -0.05 0.28 -0.07 0.00 1.10 0.00 0.00 33.01 34.27 3kwb s GLN 1092CO 0.36 -0.18 1.32 -1.21 -0.55 0.00 0.00 175.29 175.02 3kwb s GLU 1093N -1.67 4.36 0.03 1.67 0.41 -1.26 -4.94 118.70 117.30 3kwb s GLU 1093Ca -0.12 1.95 -0.15 0.00 -0.41 0.00 0.00 54.97 56.24 3kwb s GLU 1093Cb -0.05 -3.31 0.02 0.00 -1.78 0.00 0.00 34.13 29.01 3kwb s GLU 1093CO 0.02 -0.38 0.33 -1.21 -0.49 0.00 0.00 175.26 173.53 3kwb s GLU 1094N 1.20 0.81 0.76 1.61 2.02 -1.26 -5.15 118.70 118.69 3kwb s GLU 1094Ca 0.62 -0.41 -0.14 0.00 0.02 0.00 0.00 54.97 55.06 3kwb s GLU 1094Cb -0.33 0.35 0.06 0.00 0.10 0.00 0.00 34.13 34.31 3kwb s GLU 1094CO 0.29 -0.26 1.19 -1.54 0.02 0.00 0.00 175.26 174.97 3kwb s SER 1095N -1.91 4.00 0.20 -0.19 1.04 -1.26 -4.60 113.70 110.98 3kwb s SER 1095Ca -0.07 2.29 -0.31 0.00 0.48 0.00 0.00 55.95 58.35 3kwb s SER 1095Cb -0.02 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.41 3kwb s SER 1095CO -0.02 -2.39 1.61 0.00 0.98 0.00 0.00 173.24 173.43 3kwb n MET 1097N 3.62 0.96 -1.63 0.00 2.00 -1.26 -5.04 117.12 115.77 3kwb n MET 1097Ca 0.13 -2.59 -0.44 0.00 0.00 0.00 0.00 57.70 54.80 3kwb n MET 1097Cb 0.37 -1.08 -0.02 0.00 0.00 0.00 0.00 33.22 32.50 3kwb n MET 1097CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 3kwb n TYR 1098N -0.66 1.68 -3.75 2.03 9.36 -1.26 -4.99 117.16 119.57 3kwb n TYR 1098Ca 0.13 0.62 -0.27 0.00 3.32 0.00 0.00 57.90 61.71 3kwb n TYR 1098Cb 0.79 -2.33 -0.17 0.00 -0.63 0.00 0.00 39.34 37.01 3kwb n TYR 1098CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kwb s ASN 1099N -0.32 2.63 0.55 2.98 3.84 -1.26 -5.03 114.94 118.33 3kwb s ASN 1099Ca 0.60 -0.67 0.31 0.00 0.21 0.00 0.00 52.86 53.31 3kwb s ASN 1099Cb -0.67 -0.57 1.47 0.00 -0.55 0.00 0.00 41.25 40.93 3kwb s ASN 1099CO 0.58 -0.28 1.89 1.55 -2.79 0.00 0.00 177.10 178.06 3kwb h PRO 1100N 8.26 0.00 0.00 0.43 0.13 -1.99 -0.74 132.00 138.09 3kwb h PRO 1100Ca -0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.94 3kwb h PRO 1100Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3kwb h PRO 1100CO 0.32 0.00 -0.08 1.79 -0.23 0.00 0.00 178.00 179.80 3kwb h THR 1101N 0.00 0.43 -0.38 1.56 1.35 -2.02 -1.57 112.91 112.29 3kwb h THR 1101Ca 0.38 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3kwb h THR 1101Cb 1.59 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 3kwb h THR 1101CO -0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 3kwb n GLY 1102N -0.71 1.32 3.64 5.82 0.00 -0.28 -4.97 105.19 110.00 3kwb n GLY 1102Ca -0.02 -0.62 -0.47 0.00 0.00 0.00 0.00 46.02 44.91 3kwb n GLY 1102CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kwb n LYS 1103N 1.09 1.79 0.00 1.61 4.81 -0.59 -2.04 118.16 124.82 3kwb n LYS 1103Ca 0.18 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 3kwb n LYS 1103Cb 0.50 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.26 3kwb n LYS 1103CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kwb n ALA 1104N 2.22 1.09 -3.57 3.14 0.00 -0.16 -4.80 120.51 118.42 3kwb n ALA 1104Ca 0.14 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3kwb n ALA 1104Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 3kwb n ALA 1104CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwb s ALA 1105N -0.19 -1.92 0.43 0.00 0.00 -1.19 -4.99 121.76 113.90 3kwb s ALA 1105Ca 0.00 1.57 0.04 0.00 0.00 0.00 0.00 51.96 53.57 3kwb s ALA 1105Cb 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 3kwb s ALA 1105CO 0.00 -0.31 0.03 0.21 0.00 0.00 0.00 175.76 175.69 3kwb s LYS 1106N -1.10 1.98 -0.04 0.00 2.20 -1.26 -1.14 119.74 120.38 3kwb s LYS 1106Ca -0.02 -2.18 -0.03 0.00 -0.36 0.00 0.00 55.97 53.37 3kwb s LYS 1106Cb -0.00 -1.35 0.02 0.00 -1.51 0.00 0.00 37.83 34.98 3kwb s LYS 1106CO 0.02 -0.23 0.11 0.00 -0.36 0.00 0.00 175.35 174.89 3kwb n ARG 1108N 3.30 3.01 0.00 0.00 1.74 0.11 -4.02 116.66 120.81 3kwb n ARG 1108Ca -0.16 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.29 3kwb n ARG 1108Cb 0.57 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3kwb n ARG 1108CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kwb n GLY 1109N 1.29 0.65 3.54 -0.13 0.00 -1.25 -4.86 105.19 104.43 3kwb n GLY 1109Ca 0.23 -2.16 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 3kwb n GLY 1109CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kwb s TYR 1110N -0.84 -0.40 0.08 1.61 -0.85 -1.26 -1.31 117.35 114.38 3kwb s TYR 1110Ca 0.00 0.11 0.06 0.00 -0.52 0.00 0.00 57.07 56.72 3kwb s TYR 1110Cb 0.00 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.88 3kwb s TYR 1110CO 0.00 -0.95 -0.17 1.03 -1.52 0.00 0.00 175.55 173.94 3kwb s ARG 1111N -3.81 0.94 0.00 -3.49 0.52 -0.57 -4.95 118.95 107.59 3kwb s ARG 1111Ca 0.04 -1.04 0.06 0.00 -0.52 0.00 0.00 55.73 54.27 3kwb s ARG 1111Cb -0.02 -1.04 -0.03 0.00 0.52 0.00 0.00 34.95 34.38 3kwb s ARG 1111CO -0.07 0.23 -0.18 -1.21 0.02 0.00 0.00 175.30 174.09 3kwb s GLU 1112N -1.84 2.20 0.14 3.54 2.02 -1.26 -1.82 118.70 121.68 3kwb s GLU 1112Ca 0.02 -0.89 -0.13 0.00 0.02 0.00 0.00 54.97 53.99 3kwb s GLU 1112Cb -0.10 -2.22 -0.07 0.00 0.10 0.00 0.00 34.13 31.85 3kwb s GLU 1112CO 0.03 0.57 0.51 -1.50 0.02 0.00 0.00 175.26 174.89 3kwb s ILE 1113N -0.82 4.93 -0.20 -1.63 2.07 -0.66 -4.98 121.20 119.91 3kwb s ILE 1113Ca 0.13 0.69 -0.41 0.00 -1.41 0.00 0.00 60.65 59.65 3kwb s ILE 1113Cb -0.10 -3.70 -0.17 0.00 0.13 0.00 0.00 42.46 38.61 3kwb s ILE 1113CO 0.03 0.22 1.55 -2.65 -1.91 0.00 0.00 174.94 172.18 3kwb n PRO 1114N 0.73 0.81 -1.65 3.50 -0.02 -1.26 -4.69 135.00 132.42 3kwb n PRO 1114Ca -0.05 0.30 -0.54 0.00 -2.02 0.00 0.00 63.50 61.18 3kwb n PRO 1114Cb 0.52 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 3kwb n PRO 1114CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3kwb n GLU 1115N 4.03 1.25 -1.01 -0.52 2.13 -1.26 -1.25 120.64 124.01 3kwb n GLU 1115Ca 0.25 0.46 -0.00 0.00 0.66 0.00 0.00 57.16 58.52 3kwb n GLU 1115Cb 0.10 -2.13 -0.00 0.00 0.27 0.00 0.00 31.44 29.68 3kwb n GLU 1115CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kwb n GLY 1116N 3.38 0.31 3.36 8.31 0.00 0.16 -4.92 105.19 115.79 3kwb n GLY 1116Ca 0.22 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 3kwb n GLY 1116CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kwb s ASN 1117N -2.02 6.46 0.40 1.61 3.84 -0.38 -4.87 114.94 119.98 3kwb s ASN 1117Ca 0.00 -2.04 0.19 0.00 0.21 0.00 0.00 52.86 51.21 3kwb s ASN 1117Cb 0.00 -2.26 0.85 0.00 -0.55 0.00 0.00 41.25 39.29 3kwb s ASN 1117CO 0.00 -0.86 1.83 -0.33 -2.79 0.00 0.00 177.10 174.95 3kwb h GLU 1118N 8.58 0.00 -0.51 0.43 5.08 -1.90 -1.35 114.58 124.90 3kwb h GLU 1118Ca -0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3kwb h GLU 1118Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 3kwb h GLU 1118CO 0.97 0.32 -0.13 0.87 -1.00 0.00 0.00 179.01 180.04 3kwb h LYS 1119N 0.00 0.98 -0.39 2.33 1.79 -1.97 0.53 116.57 119.84 3kwb h LYS 1119Ca -0.00 -0.37 -0.15 0.00 -2.18 0.00 0.00 60.65 57.95 3kwb h LYS 1119Cb 0.71 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3kwb h LYS 1119CO 0.04 1.04 -0.33 0.00 -1.08 0.00 0.00 179.45 179.12 3kwb h ALA 1120N 0.97 0.67 -0.57 3.86 0.00 -1.83 -2.45 119.26 119.92 3kwb h ALA 1120Ca 0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3kwb h ALA 1120Cb 0.69 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3kwb h ALA 1120CO 0.05 0.67 0.28 1.25 0.00 0.00 0.00 179.25 181.50 3kwb h LEU 1121N 0.74 0.73 0.28 0.00 5.85 -0.88 0.08 115.31 122.12 3kwb h LEU 1121Ca 0.07 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3kwb h LEU 1121Cb 0.90 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3kwb h LEU 1121CO 0.08 0.65 -0.27 0.50 -0.34 0.00 0.00 178.44 179.06 3kwb h LYS 1122N 0.77 -0.56 -0.92 1.25 3.64 -0.77 -0.19 116.57 119.80 3kwb h LYS 1122Ca 0.20 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3kwb h LYS 1122Cb 0.10 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 3kwb h LYS 1122CO -0.03 -0.37 0.59 0.00 -2.27 0.00 0.00 179.45 177.37 3kwb h ARG 1123N -0.58 1.09 0.14 1.90 3.08 -1.23 -0.92 114.38 117.85 3kwb h ARG 1123Ca -0.01 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3kwb h ARG 1123Cb 0.53 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3kwb h ARG 1123CO -0.05 0.72 -0.07 0.00 -1.07 0.00 0.00 179.97 179.50 3kwb h ALA 1124N 1.39 -0.19 -0.25 0.04 0.00 -0.63 -1.61 119.26 118.01 3kwb h ALA 1124Ca 0.38 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.24 3kwb h ALA 1124Cb 0.06 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kwb h ALA 1124CO -0.14 -0.57 0.06 0.28 0.00 0.00 0.00 179.25 178.89 3kwb h VAL 1125N -0.26 0.91 -0.65 0.00 2.07 -0.71 0.27 116.25 117.87 3kwb h VAL 1125Ca -0.02 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3kwb h VAL 1125Cb 0.21 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3kwb h VAL 1125CO 0.03 0.03 0.43 0.00 0.02 0.00 0.00 177.57 178.09 3kwb h ALA 1126N 1.17 1.57 0.13 1.67 0.00 -1.06 -1.76 119.26 120.99 3kwb h ALA 1126Ca 0.11 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.65 3kwb h ALA 1126Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kwb h ALA 1126CO -0.13 0.38 -1.75 -0.09 0.00 0.00 0.00 179.25 177.66 3kwb h ARG 1127N 0.85 0.28 0.02 0.00 2.43 -0.92 -3.43 114.38 113.60 3kwb h ARG 1127Ca 0.25 -0.48 -0.26 0.00 -0.81 0.00 0.00 59.98 58.68 3kwb h ARG 1127Cb -0.04 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3kwb h ARG 1127CO -0.06 1.23 -1.42 0.28 -1.51 0.00 0.00 179.97 178.49 3kwb n VAL 1128N -3.68 1.57 0.00 0.20 0.31 0.91 -5.10 118.33 112.54 3kwb n VAL 1128Ca -0.28 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3kwb n VAL 1128Cb 1.00 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3kwb n VAL 1128CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kwb n GLY 1129N 1.50 0.63 3.63 2.92 0.00 -0.66 -4.88 105.19 108.33 3kwb n GLY 1129Ca -0.33 -1.97 -0.47 0.00 0.00 0.00 0.00 46.02 43.25 3kwb n GLY 1129CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kwb n PRO 1130N 0.00 1.64 -4.99 1.61 -0.02 -1.26 -4.43 135.00 127.55 3kwb n PRO 1130Ca 0.00 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 3kwb n PRO 1130Cb 0.00 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.12 3kwb n PRO 1130CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kwb s VAL 1131N 0.02 1.77 0.20 -1.45 1.01 -0.63 -4.70 120.40 116.62 3kwb s VAL 1131Ca 0.72 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 3kwb s VAL 1131Cb -0.75 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 3kwb s VAL 1131CO 0.49 0.49 1.34 -0.44 0.00 0.00 0.00 175.10 176.98 3kwb s SER 1132N 0.48 6.85 0.06 3.32 0.01 -0.54 -1.56 113.70 122.32 3kwb s SER 1132Ca -0.17 2.44 -0.04 0.00 1.31 0.00 0.00 55.95 59.48 3kwb s SER 1132Cb -0.17 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 3kwb s SER 1132CO 0.07 -0.56 0.07 0.68 0.41 0.00 0.00 173.24 173.90 3kwb s VAL 1133N 0.17 0.17 0.10 3.43 -7.23 -0.94 -1.26 120.40 114.84 3kwb s VAL 1133Ca 0.58 -1.41 0.09 0.00 -1.81 0.00 0.00 61.98 59.42 3kwb s VAL 1133Cb -0.37 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 3kwb s VAL 1133CO 0.38 -0.78 -0.19 0.00 -0.31 0.00 0.00 175.10 174.20 3kwb s ALA 1134N -3.50 2.61 0.26 1.32 0.00 -1.16 -0.69 121.76 120.60 3kwb s ALA 1134Ca 0.03 -1.32 -0.06 0.00 0.00 0.00 0.00 51.96 50.60 3kwb s ALA 1134Cb 0.04 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 3kwb s ALA 1134CO -0.09 0.58 0.38 0.96 0.00 0.00 0.00 175.76 177.59 3kwb s ILE 1135N -1.07 0.00 -0.45 0.00 -4.36 0.07 -3.87 121.20 111.53 3kwb s ILE 1135Ca 0.16 -1.64 -0.16 0.00 -0.26 0.00 0.00 60.65 58.75 3kwb s ILE 1135Cb -0.10 -2.41 0.05 0.00 1.25 0.00 0.00 42.46 41.24 3kwb s ILE 1135CO 0.08 0.00 0.41 -0.62 0.24 0.00 0.00 174.94 175.05 3kwb s ASP 1136N -3.13 6.16 -0.21 4.36 2.15 -0.79 -1.66 116.67 123.54 3kwb s ASP 1136Ca 0.30 -1.02 0.14 0.00 0.43 0.00 0.00 52.55 52.40 3kwb s ASP 1136Cb 0.02 -2.20 0.48 0.00 -0.30 0.00 0.00 42.92 40.91 3kwb s ASP 1136CO 0.13 -0.61 1.38 0.00 -0.17 0.00 0.00 175.17 175.91 3kwb n ALA 1137N 5.40 3.34 0.53 3.66 0.00 -1.26 -4.67 120.51 127.50 3kwb n ALA 1137Ca -0.10 -2.69 0.13 0.00 0.00 0.00 0.00 53.44 50.77 3kwb n ALA 1137Cb 0.46 -0.65 0.34 0.00 0.00 0.00 0.00 19.45 19.59 3kwb n ALA 1137CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kwb h SER 1138N 1.18 0.00 -3.97 0.00 4.64 -1.92 -3.43 113.55 110.06 3kwb h SER 1138Ca 0.08 -0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.87 3kwb h SER 1138Cb 1.42 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.58 3kwb h SER 1138CO 0.23 0.00 0.52 -0.76 -0.87 0.00 0.00 176.83 175.96 3kwb s LEU 1139N -4.91 4.12 0.29 5.97 1.02 -1.26 -4.93 118.68 118.99 3kwb s LEU 1139Ca 0.10 2.41 -0.01 0.00 0.02 0.00 0.00 54.13 56.64 3kwb s LEU 1139Cb 0.11 -4.08 0.44 0.00 0.02 0.00 0.00 46.19 42.67 3kwb s LEU 1139CO 0.62 -0.83 1.89 0.74 0.02 0.00 0.00 176.35 178.80 3kwb h THR 1140N 2.17 1.21 -0.43 5.49 2.02 -2.00 -2.28 112.91 119.09 3kwb h THR 1140Ca -0.49 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.10 3kwb h THR 1140Cb 1.24 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3kwb h THR 1140CO 0.62 0.25 0.29 0.77 0.37 0.00 0.00 175.52 177.81 3kwb h SER 1141N 0.91 0.43 -0.17 4.18 4.64 -1.95 -1.60 113.55 120.00 3kwb h SER 1141Ca 0.22 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.39 3kwb h SER 1141Cb 0.11 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3kwb h SER 1141CO -0.03 0.30 -0.47 0.15 -0.87 0.00 0.00 176.83 175.92 3kwb h PHE 1142N 0.51 0.80 -0.83 4.77 3.04 -1.76 -2.56 116.94 120.91 3kwb h PHE 1142Ca 0.17 -0.32 0.11 0.00 3.98 0.00 0.00 57.97 61.91 3kwb h PHE 1142Cb 0.05 -0.14 -0.06 0.00 2.56 0.00 0.00 35.95 38.36 3kwb h PHE 1142CO -0.00 1.09 0.54 0.37 -2.02 0.00 0.00 178.31 178.29 3kwb h GLN 1143N 0.29 0.72 -0.49 1.11 5.75 -1.01 -2.62 115.11 118.87 3kwb h GLN 1143Ca -0.01 -0.04 -0.27 0.00 -0.15 0.00 0.00 58.65 58.17 3kwb h GLN 1143Cb 1.09 -0.16 -0.16 0.00 1.07 0.00 0.00 27.48 29.31 3kwb h GLN 1143CO 0.10 0.48 -0.01 1.19 -2.65 0.00 0.00 178.83 177.93 3kwb n PHE 1144N -4.52 1.54 -1.99 3.99 3.01 -0.70 -4.75 117.46 114.04 3kwb n PHE 1144Ca 0.14 -1.77 -0.41 0.00 1.01 0.00 0.00 57.45 56.42 3kwb n PHE 1144Cb 0.35 -0.59 -0.01 0.00 -0.01 0.00 0.00 39.48 39.22 3kwb n PHE 1144CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 3kwb s TYR 1145N -3.32 2.88 0.00 1.38 6.14 -0.97 -4.93 117.35 118.53 3kwb s TYR 1145Ca 0.48 1.27 -0.00 0.00 0.64 0.00 0.00 57.07 59.46 3kwb s TYR 1145Cb 0.42 -3.82 -0.00 0.00 0.42 0.00 0.00 41.96 38.98 3kwb s TYR 1145CO 0.01 -2.38 -0.00 0.43 0.64 0.00 0.00 175.55 174.24 3kwb n SER 1146N 0.87 0.12 -3.33 4.32 7.64 -1.26 -3.47 113.62 118.51 3kwb n SER 1146Ca 0.01 0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.84 3kwb n SER 1146Cb 0.41 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 3kwb n SER 1146CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3kwb s LYS 1147N -2.01 1.83 0.42 1.43 0.00 -1.26 -3.93 119.74 116.22 3kwb s LYS 1147Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 55.97 54.84 3kwb s LYS 1147Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 37.83 38.38 3kwb s LYS 1147CO 0.01 -0.85 0.00 0.41 0.00 0.00 0.00 175.35 174.92 3kwb n GLY 1148N -0.54 -2.35 3.56 0.59 0.00 -1.26 -4.78 105.19 100.40 3kwb n GLY 1148Ca -0.06 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3kwb n GLY 1148CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwb s VAL 1149N -0.44 5.01 -0.02 1.61 1.01 -1.26 -4.19 120.40 122.13 3kwb s VAL 1149Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 3kwb s VAL 1149Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3kwb s VAL 1149CO 0.00 -0.22 1.43 -0.47 0.00 0.00 0.00 175.10 175.84 3kwb s TYR 1150N 2.39 2.72 -0.14 5.22 5.04 0.61 -4.79 117.35 128.41 3kwb s TYR 1150Ca 0.19 0.73 -0.07 0.00 -2.44 0.00 0.00 57.07 55.48 3kwb s TYR 1150Cb -0.15 -3.70 0.06 0.00 0.35 0.00 0.00 41.96 38.52 3kwb s TYR 1150CO 0.13 -2.63 0.32 -0.47 -1.34 0.00 0.00 175.55 171.57 3kwb s TYR 1151N 2.70 -0.47 -0.09 4.97 5.04 -1.26 -1.61 117.35 126.63 3kwb s TYR 1151Ca 0.65 1.05 -0.03 0.00 -2.44 0.00 0.00 57.07 56.29 3kwb s TYR 1151Cb -0.31 0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.19 3kwb s TYR 1151CO 0.26 -0.30 0.17 0.34 -1.34 0.00 0.00 175.55 174.68 3kwb s ASP 1152N 1.47 0.63 0.00 4.32 -1.08 -1.26 -5.01 116.67 115.75 3kwb s ASP 1152Ca -0.08 0.36 0.06 0.00 -0.52 0.00 0.00 52.55 52.36 3kwb s ASP 1152Cb -0.10 0.31 0.24 0.00 -1.46 0.00 0.00 42.92 41.92 3kwb s ASP 1152CO -0.11 -0.24 1.16 -1.84 0.52 0.00 0.00 175.17 174.67 3kwb n GLU 1153N 5.23 0.01 0.08 4.34 0.28 -1.26 -1.99 120.64 127.33 3kwb n GLU 1153Ca -0.07 0.39 0.12 0.00 -0.16 0.00 0.00 57.16 57.44 3kwb n GLU 1153Cb 0.50 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 32.06 3kwb n GLU 1153CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3kwb h SER 1154N 0.00 0.00 -3.70 -1.84 0.02 -2.05 -3.47 113.55 102.52 3kwb h SER 1154Ca 0.00 -0.15 -0.55 0.00 -0.84 0.00 0.00 61.79 60.26 3kwb h SER 1154Cb 0.09 0.00 0.11 0.00 0.14 0.00 0.00 62.40 62.74 3kwb h SER 1154CO 0.00 0.07 0.74 0.00 -1.14 0.00 0.00 176.83 176.51 3kwb s ASN 1156N -0.06 5.08 0.45 0.00 3.84 -1.26 -4.60 114.94 118.39 3kwb s ASN 1156Ca 0.55 -1.17 0.31 0.00 0.21 0.00 0.00 52.86 52.76 3kwb s ASN 1156Cb -0.50 -1.79 1.50 0.00 -0.55 0.00 0.00 41.25 39.91 3kwb s ASN 1156CO 0.61 -0.28 1.93 0.77 -2.79 0.00 0.00 177.10 177.34 3kwb h SER 1157N 8.11 0.00 0.49 -4.21 4.64 -1.86 -1.55 113.55 119.17 3kwb h SER 1157Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3kwb h SER 1157Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3kwb h SER 1157CO 0.57 0.00 -0.28 0.47 -0.87 0.00 0.00 176.83 176.72 3kwb n ASP 1158N -2.65 0.52 -4.10 4.97 8.00 -1.26 -4.46 116.55 117.56 3kwb n ASP 1158Ca -0.01 -0.34 -0.36 0.00 0.71 0.00 0.00 54.79 54.80 3kwb n ASP 1158Cb 0.15 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 3kwb n ASP 1158CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kwb n ASN 1159N -1.19 4.24 -4.49 -2.24 5.15 -0.58 -5.01 115.26 111.13 3kwb n ASN 1159Ca 0.09 -3.14 -0.42 0.00 -0.60 0.00 0.00 54.58 50.51 3kwb n ASN 1159Cb 0.32 -1.05 -0.03 0.00 -0.53 0.00 0.00 39.78 38.49 3kwb n ASN 1159CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kwb s LEU 1160N -1.43 4.06 -0.05 1.20 1.43 -1.26 -3.59 118.68 119.05 3kwb s LEU 1160Ca 0.28 -1.05 0.08 0.00 -1.03 0.00 0.00 54.13 52.40 3kwb s LEU 1160Cb -0.06 -2.47 0.16 0.00 0.03 0.00 0.00 46.19 43.85 3kwb s LEU 1160CO -0.12 -1.50 1.11 -0.46 0.23 0.00 0.00 176.35 175.61 3kwb n ASN 1161N 8.11 2.38 -3.64 2.29 0.23 -0.67 -4.92 115.26 119.05 3kwb n ASN 1161Ca 0.06 -2.35 -0.15 0.00 -0.53 0.00 0.00 54.58 51.62 3kwb n ASN 1161Cb 0.47 -0.18 -0.08 0.00 -2.08 0.00 0.00 39.78 37.92 3kwb n ASN 1161CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3kwb s HIS 1162N -1.60 -0.63 -0.13 -2.53 5.04 -0.90 -4.85 115.29 109.69 3kwb s HIS 1162Ca 0.15 1.40 0.00 0.00 -1.54 0.00 0.00 55.06 55.07 3kwb s HIS 1162Cb 0.11 0.27 -0.01 0.00 0.04 0.00 0.00 32.58 32.99 3kwb s HIS 1162CO 0.04 -0.41 -0.14 0.00 -2.34 0.00 0.00 174.74 171.89 3kwb s ALA 1163N -0.21 2.57 0.00 1.58 0.00 -1.26 -0.75 121.76 123.70 3kwb s ALA 1163Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3kwb s ALA 1163Cb -0.03 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.90 3kwb s ALA 1163CO 0.03 0.22 0.00 1.55 0.00 0.00 0.00 175.76 177.57 3kwb n VAL 1164N 3.59 0.00 -4.02 0.00 3.14 0.13 -4.55 118.33 116.61 3kwb n VAL 1164Ca -0.18 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 60.96 3kwb n VAL 1164Cb 0.53 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 33.14 3kwb n VAL 1164CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3kwb s LEU 1165N 0.00 1.10 -0.49 6.55 2.96 -0.95 -2.21 118.68 125.63 3kwb s LEU 1165Ca 0.00 -0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 53.52 3kwb s LEU 1165Cb 0.00 -0.61 0.05 0.00 0.50 0.00 0.00 46.19 46.12 3kwb s LEU 1165CO 0.00 -0.11 0.65 0.00 -1.32 0.00 0.00 176.35 175.58 3kwb s ALA 1166N 1.45 3.35 -2.64 5.97 0.00 -0.60 -0.16 121.76 129.13 3kwb s ALA 1166Ca -0.02 -1.55 0.24 0.00 0.00 0.00 0.00 51.96 50.63 3kwb s ALA 1166Cb -0.13 -3.37 0.48 0.00 0.00 0.00 0.00 23.12 20.10 3kwb s ALA 1166CO -0.04 -1.98 1.43 1.33 0.00 0.00 0.00 175.76 176.50 3kwb n VAL 1167N 5.73 0.20 -3.49 0.00 0.24 0.30 -1.60 118.33 119.71 3kwb n VAL 1167Ca -0.05 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3kwb n VAL 1167Cb 0.46 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 3kwb n VAL 1167CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kwb n GLY 1168N 1.34 -1.17 3.43 7.63 0.00 -1.22 -0.95 105.19 114.25 3kwb n GLY 1168Ca 0.17 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 3kwb n GLY 1168CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kwb s TYR 1169N -3.00 -0.52 0.00 1.61 -0.85 0.64 -0.81 117.35 114.41 3kwb s TYR 1169Ca 0.00 0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.88 3kwb s TYR 1169Cb 0.00 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.90 3kwb s TYR 1169CO 0.00 -0.82 0.00 0.41 -1.52 0.00 0.00 175.55 173.62 3kwb n GLY 1170N -0.35 1.95 3.25 5.49 0.00 -0.64 -0.92 105.19 113.98 3kwb n GLY 1170Ca -0.16 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 3kwb n GLY 1170CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kwb s ILE 1171N -1.55 0.05 -0.18 -0.61 -4.36 -1.26 -0.62 121.20 112.67 3kwb s ILE 1171Ca 0.00 -0.42 -0.05 0.00 -0.26 0.00 0.00 60.65 59.92 3kwb s ILE 1171Cb 0.00 -0.62 0.07 0.00 1.25 0.00 0.00 42.46 43.16 3kwb s ILE 1171CO 0.00 -0.23 0.12 -1.10 0.24 0.00 0.00 174.94 173.97 3kwb s GLN 1172N -1.20 0.09 -1.33 0.37 -0.21 0.72 -4.90 119.66 113.19 3kwb s GLN 1172Ca -0.12 -0.02 -0.01 0.00 0.02 0.00 0.00 55.36 55.23 3kwb s GLN 1172Cb -0.05 -1.68 0.01 0.00 1.00 0.00 0.00 33.01 32.29 3kwb s GLN 1172CO 0.04 -0.67 0.70 1.17 -2.12 0.00 0.00 175.29 174.42 3kwb n LYS 1173N 5.29 -4.85 -0.22 2.91 3.00 -1.26 -1.30 118.16 121.73 3kwb n LYS 1173Ca -0.07 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 3kwb n LYS 1173Cb 0.49 -5.16 0.00 0.00 0.00 0.00 0.00 35.03 30.36 3kwb n LYS 1173CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kwb n GLY 1174N -1.61 2.10 3.39 3.14 0.00 -1.26 -5.00 105.19 105.95 3kwb n GLY 1174Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3kwb n GLY 1174CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kwb s ASN 1175N -3.50 5.63 0.39 1.61 0.01 -0.42 -5.08 114.94 113.58 3kwb s ASN 1175Ca 0.00 -0.84 -0.25 0.00 -0.71 0.00 0.00 52.86 51.06 3kwb s ASN 1175Cb 0.00 -2.00 -0.09 0.00 0.41 0.00 0.00 41.25 39.57 3kwb s ASN 1175CO 0.00 -0.32 1.07 -0.54 -1.51 0.00 0.00 177.10 175.81 3kwb s LYS 1176N 1.56 4.20 0.24 -0.60 1.02 -1.26 -0.20 119.74 124.70 3kwb s LYS 1176Ca 0.03 1.60 -0.02 0.00 0.02 0.00 0.00 55.97 57.59 3kwb s LYS 1176Cb -0.18 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3kwb s LYS 1176CO 0.06 -0.13 0.25 -3.38 -0.92 0.00 0.00 175.35 171.23 3kwb s HIS 1177N -1.56 1.09 -0.10 3.18 -3.43 0.21 -0.34 115.29 114.34 3kwb s HIS 1177Ca 0.56 -1.29 0.03 0.00 -0.80 0.00 0.00 55.06 53.56 3kwb s HIS 1177Cb -0.25 -0.40 -0.01 0.00 -1.43 0.00 0.00 32.58 30.50 3kwb s HIS 1177CO 0.31 -0.79 -0.20 -1.58 -2.00 0.00 0.00 174.74 170.48 3kwb s TRP 1178N -3.92 2.64 -0.42 0.38 0.52 0.12 -1.62 118.94 116.64 3kwb s TRP 1178Ca 0.35 -0.81 -0.25 0.00 0.02 0.00 0.00 56.10 55.41 3kwb s TRP 1178Cb 0.04 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.64 3kwb s TRP 1178CO 0.15 -0.29 0.91 0.42 0.02 0.00 0.00 176.95 178.16 3kwb s ILE 1179N 0.22 4.54 -0.18 2.03 1.01 0.00 -1.45 121.20 127.37 3kwb s ILE 1179Ca -0.13 0.90 -0.03 0.00 0.00 0.00 0.00 60.65 61.40 3kwb s ILE 1179Cb -0.16 -4.38 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 3kwb s ILE 1179CO 0.07 -0.69 -0.05 -0.63 0.00 0.00 0.00 174.94 173.63 3kwb s ILE 1180N 3.59 3.55 -0.24 2.92 -1.09 -0.46 -0.54 121.20 128.93 3kwb s ILE 1180Ca 0.37 -0.46 -0.14 0.00 -2.23 0.00 0.00 60.65 58.19 3kwb s ILE 1180Cb -0.11 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 3kwb s ILE 1180CO 0.23 0.46 0.34 -0.75 -1.23 0.00 0.00 174.94 173.99 3kwb s LYS 1181N 0.88 4.08 0.52 2.79 2.20 0.77 -1.38 119.74 129.60 3kwb s LYS 1181Ca -0.01 0.03 0.09 0.00 -0.36 0.00 0.00 55.97 55.72 3kwb s LYS 1181Cb -0.15 -3.59 0.05 0.00 -1.51 0.00 0.00 37.83 32.63 3kwb s LYS 1181CO 0.01 -0.13 0.65 1.21 -0.36 0.00 0.00 175.35 176.73 3kwb s ASN 1182N 1.33 5.18 -0.27 1.43 3.84 -0.82 -2.24 114.94 123.39 3kwb s ASN 1182Ca 0.15 -0.78 0.12 0.00 0.21 0.00 0.00 52.86 52.56 3kwb s ASN 1182Cb -0.15 -0.01 0.47 0.00 -0.55 0.00 0.00 41.25 41.01 3kwb s ASN 1182CO 0.08 -1.10 1.17 -1.54 -2.79 0.00 0.00 177.10 172.92 3kwb n SER 1183N -2.02 3.67 -1.20 -4.21 3.41 -1.26 -4.37 113.62 107.64 3kwb n SER 1183Ca 0.10 -3.20 -0.02 0.00 -0.26 0.00 0.00 58.87 55.49 3kwb n SER 1183Cb 0.61 -0.39 0.22 0.00 -0.26 0.00 0.00 64.21 64.39 3kwb n SER 1183CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kwb n TRP 1184N -0.67 1.27 0.00 7.33 8.01 -1.21 -0.95 117.44 131.23 3kwb n TRP 1184Ca 0.31 -1.38 0.00 0.00 -1.31 0.00 0.00 57.50 55.11 3kwb n TRP 1184Cb 0.91 -0.49 0.00 0.00 -2.01 0.00 0.00 31.31 29.72 3kwb n TRP 1184CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kwb n GLY 1185N -0.90 -1.29 0.18 6.99 0.00 -0.20 -4.36 105.19 105.60 3kwb n GLY 1185Ca 0.32 -1.60 0.15 0.00 0.00 0.00 0.00 46.02 44.89 3kwb n GLY 1185CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kwb n GLU 1186N -1.57 1.24 -0.23 1.61 1.02 -1.26 -3.21 120.64 118.24 3kwb n GLU 1186Ca 0.00 -0.36 0.09 0.00 -0.02 0.00 0.00 57.16 56.87 3kwb n GLU 1186Cb 0.00 -1.48 0.24 0.00 -0.02 0.00 0.00 31.44 30.18 3kwb n GLU 1186CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kwb n ASN 1187N -0.56 2.67 -4.47 1.62 4.13 -1.26 -3.84 115.26 113.55 3kwb n ASN 1187Ca 0.22 -1.96 -0.30 0.00 1.68 0.00 0.00 54.58 54.21 3kwb n ASN 1187Cb 0.20 -0.30 -0.12 0.00 -1.54 0.00 0.00 39.78 38.01 3kwb n ASN 1187CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 3kwb s TRP 1188N -1.39 2.52 0.00 3.10 -0.00 -1.20 -4.99 118.94 116.99 3kwb s TRP 1188Ca 0.34 -0.27 0.00 0.00 -0.00 0.00 0.00 56.10 56.17 3kwb s TRP 1188Cb 0.18 -1.36 0.00 0.00 -0.00 0.00 0.00 33.47 32.29 3kwb s TRP 1188CO 0.24 0.35 0.00 0.41 -0.00 0.00 0.00 176.95 177.96 3kwb n GLY 1189N 0.97 1.96 3.35 5.86 0.00 -1.23 -0.10 105.19 116.00 3kwb n GLY 1189Ca -0.16 -0.35 -0.46 0.00 0.00 0.00 0.00 46.02 45.05 3kwb n GLY 1189CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kwb s ASN 1190N -4.00 6.80 -1.54 1.61 2.47 0.27 -4.44 114.94 116.12 3kwb s ASN 1190Ca 0.00 -2.67 -0.04 0.00 0.42 0.00 0.00 52.86 50.56 3kwb s ASN 1190Cb 0.00 -2.25 0.01 0.00 -1.45 0.00 0.00 41.25 37.57 3kwb s ASN 1190CO 0.00 -0.63 0.47 0.29 -3.72 0.00 0.00 177.10 173.51 3kwb n LYS 1191N 4.32 -4.11 0.00 0.43 4.76 -1.23 -1.33 118.16 121.00 3kwb n LYS 1191Ca 0.17 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.47 3kwb n LYS 1191Cb 0.47 -5.66 0.00 0.00 -1.84 0.00 0.00 35.03 27.99 3kwb n LYS 1191CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kwb n GLY 1192N -1.37 1.14 3.87 0.72 0.00 0.86 -4.70 105.19 105.71 3kwb n GLY 1192Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 3kwb n GLY 1192CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwb s TYR 1193N -2.29 3.03 -0.17 1.61 1.51 -0.44 -1.95 117.35 118.64 3kwb s TYR 1193Ca 0.00 -0.22 -0.13 0.00 -1.01 0.00 0.00 57.07 55.71 3kwb s TYR 1193Cb 0.00 -1.71 0.05 0.00 -0.11 0.00 0.00 41.96 40.19 3kwb s TYR 1193CO 0.00 0.26 0.43 -1.50 -1.11 0.00 0.00 175.55 173.63 3kwb s ILE 1194N -2.22 -0.01 -0.23 2.71 2.07 -0.48 -0.56 121.20 122.49 3kwb s ILE 1194Ca 0.39 0.04 -0.16 0.00 -1.41 0.00 0.00 60.65 59.50 3kwb s ILE 1194Cb -0.07 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 3kwb s ILE 1194CO 0.27 0.02 0.43 -0.76 -1.91 0.00 0.00 174.94 172.99 3kwb s LEU 1195N 0.74 4.11 -0.06 8.50 1.43 -1.26 -1.36 118.68 130.79 3kwb s LEU 1195Ca -0.04 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 3kwb s LEU 1195Cb -0.05 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 3kwb s LEU 1195CO -0.05 -0.15 -0.14 -0.04 0.23 0.00 0.00 176.35 176.19 3kwb s MET 1196N 1.70 2.62 0.03 1.70 -1.94 -0.53 -0.28 119.30 122.60 3kwb s MET 1196Ca 0.19 -0.70 -0.38 0.00 -1.71 0.00 0.00 55.69 53.09 3kwb s MET 1196Cb -0.15 -2.41 -0.18 0.00 2.01 0.00 0.00 34.83 34.10 3kwb s MET 1196CO 0.09 0.56 1.28 0.00 -0.01 0.00 0.00 175.02 176.94 3kwb n ALA 1197N 2.49 -1.73 -2.53 3.03 0.00 -0.63 0.10 120.51 121.24 3kwb n ALA 1197Ca -0.17 0.54 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 3kwb n ALA 1197Cb 0.52 -1.99 -0.14 0.00 0.00 0.00 0.00 19.45 17.84 3kwb n ALA 1197CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kwb s ARG 1198N 0.53 2.52 -1.09 0.00 3.52 0.54 -4.60 118.95 120.36 3kwb s ARG 1198Ca 0.87 -0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 55.66 3kwb s ARG 1198Cb -1.06 -2.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3kwb s ARG 1198CO 0.51 0.54 0.67 0.09 -0.81 0.00 0.00 175.30 176.31 3kwb n ASN 1199N 2.52 -5.15 -2.72 -2.12 3.02 -1.26 -4.45 115.26 105.10 3kwb n ASN 1199Ca -0.17 -0.31 -0.26 0.00 -0.03 0.00 0.00 54.58 53.81 3kwb n ASN 1199Cb 0.52 -3.87 -0.02 0.00 -0.61 0.00 0.00 39.78 35.80 3kwb n ASN 1199CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kwb n LYS 1200N -3.54 3.24 -3.70 3.52 3.00 -1.26 -4.87 118.16 114.54 3kwb n LYS 1200Ca -0.04 -4.63 -0.25 0.00 -0.00 0.00 0.00 58.31 53.38 3kwb n LYS 1200Cb 0.57 -2.21 0.06 0.00 0.00 0.00 0.00 35.03 33.44 3kwb n LYS 1200CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3kwb n ASN 1201N -0.34 -5.12 -3.53 3.14 4.05 -1.26 -2.77 115.26 109.42 3kwb n ASN 1201Ca 0.34 -0.65 -0.21 0.00 0.45 0.00 0.00 54.58 54.51 3kwb n ASN 1201Cb 0.53 -4.58 0.05 0.00 1.23 0.00 0.00 39.78 37.01 3kwb n ASN 1201CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3kwb n ASN 1202N -2.97 -3.57 -4.68 1.20 5.15 -1.26 -4.86 115.26 104.27 3kwb n ASN 1202Ca -0.03 -0.80 -0.45 0.00 -0.60 0.00 0.00 54.58 52.71 3kwb n ASN 1202Cb 0.57 -4.40 -0.04 0.00 -0.53 0.00 0.00 39.78 35.37 3kwb n ASN 1202CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kwb n ALA 1203N -3.96 1.70 -1.02 5.20 0.00 -1.11 -0.78 120.51 120.54 3kwb n ALA 1203Ca -0.20 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.65 3kwb n ALA 1203Cb 0.64 -2.42 -0.00 0.00 0.00 0.00 0.00 19.45 17.67 3kwb n ALA 1203CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwb n GLY 1205N -0.56 0.01 0.38 0.00 0.00 0.04 -1.89 105.19 103.16 3kwb n GLY 1205Ca -0.01 -0.31 0.20 0.00 0.00 0.00 0.00 46.02 45.90 3kwb n GLY 1205CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kwb h ILE 1206N 0.00 0.45 -0.51 -0.61 2.10 -1.66 -0.61 117.51 116.68 3kwb h ILE 1206Ca -0.32 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3kwb h ILE 1206Cb 1.20 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 3kwb h ILE 1206CO 0.39 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.46 3kwb n ALA 1207N -2.39 2.31 0.16 0.18 0.00 -1.26 -4.40 120.51 115.11 3kwb n ALA 1207Ca 0.07 -1.17 0.04 0.00 0.00 0.00 0.00 53.44 52.38 3kwb n ALA 1207Cb 0.56 -0.71 0.13 0.00 0.00 0.00 0.00 19.45 19.44 3kwb n ALA 1207CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kwb h ASN 1208N 3.36 0.00 -1.18 0.00 2.35 -1.37 0.46 115.58 119.20 3kwb h ASN 1208Ca 0.00 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.34 3kwb h ASN 1208Cb 0.87 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 38.95 3kwb h ASN 1208CO 0.00 0.43 -0.86 -0.11 -1.65 0.00 0.00 177.43 175.23 3kwb n LEU 1209N -3.28 -0.92 -4.52 1.61 7.94 -1.26 -4.59 117.00 111.98 3kwb n LEU 1209Ca 0.02 -4.22 -0.33 0.00 -1.11 0.00 0.00 56.01 50.36 3kwb n LEU 1209Cb 0.66 0.75 -0.12 0.00 0.53 0.00 0.00 43.42 45.23 3kwb n LEU 1209CO 0.39 2.09 -0.40 0.00 -1.11 0.00 0.00 177.39 178.35 3kwb s ALA 1210N -0.67 2.86 0.21 1.96 0.00 -1.26 -3.00 121.76 121.86 3kwb s ALA 1210Ca 0.33 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 3kwb s ALA 1210Cb 0.23 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 22.18 3kwb s ALA 1210CO -0.14 0.50 0.51 -1.54 0.00 0.00 0.00 175.76 175.09 3kwb s SER 1211N -0.56 -0.21 -0.03 0.00 1.04 -0.39 -1.66 113.70 111.90 3kwb s SER 1211Ca 0.08 -0.59 -0.10 0.00 0.48 0.00 0.00 55.95 55.82 3kwb s SER 1211Cb -0.12 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.60 3kwb s SER 1211CO 0.02 -1.07 0.22 0.72 0.98 0.00 0.00 173.24 174.11 3kwb s PHE 1212N -3.91 -0.11 0.41 5.02 -0.71 -0.75 -1.47 117.98 116.46 3kwb s PHE 1212Ca 0.12 0.20 -0.11 0.00 -1.04 0.00 0.00 56.93 56.10 3kwb s PHE 1212Cb -0.01 0.04 -0.06 0.00 -1.21 0.00 0.00 43.02 41.77 3kwb s PHE 1212CO -0.00 -0.28 0.78 -1.25 -1.34 0.00 0.00 175.22 173.13 3kwb s PRO 1213N -0.99 3.79 0.06 1.99 0.04 -1.26 -1.52 135.00 137.11 3kwb s PRO 1213Ca -0.11 0.49 0.04 0.00 0.04 0.00 0.00 61.00 61.47 3kwb s PRO 1213Cb -0.05 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 3kwb s PRO 1213CO 0.02 -0.05 -0.03 0.15 0.04 0.00 0.00 177.00 177.14 3kwb s LYS 1214N -3.85 2.52 0.00 4.56 1.02 -0.43 -4.93 119.74 118.63 3kwb s LYS 1214Ca 0.52 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.70 3kwb s LYS 1214Cb -0.10 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 3kwb s LYS 1214CO 0.31 0.56 0.18 -1.33 -0.92 0.00 0.00 175.35 174.15