#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bzz s LYS 1001N 0.00 3.98 0.71 3.17 2.20 -1.26 -4.82 119.74 123.71 2bzz s LYS 1001Ca 0.00 -0.32 -0.14 0.00 -0.36 0.00 0.00 55.97 55.15 2bzz s LYS 1001Cb 0.00 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2bzz s LYS 1001CO 0.00 0.04 1.13 -2.14 -0.36 0.00 0.00 175.35 174.01 2bzz s PRO 1002N 1.08 2.48 0.44 4.03 0.02 -1.26 -4.93 135.00 136.87 2bzz s PRO 1002Ca 0.06 1.42 0.29 0.00 0.02 0.00 0.00 61.00 62.80 2bzz s PRO 1002Cb -0.14 -1.91 1.05 0.00 0.02 0.00 0.00 34.50 33.53 2bzz s PRO 1002CO 0.04 -1.50 1.84 -1.00 -0.33 0.00 0.00 177.00 176.05 2bzz h PRO 1003N -0.35 0.00 -0.00 5.54 0.13 -1.99 -2.98 132.00 132.36 2bzz h PRO 1003Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bzz h PRO 1003Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bzz h PRO 1003CO 0.52 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.27 2bzz n GLN 1004N -2.84 0.71 -5.08 0.86 0.00 -1.26 -4.80 117.38 104.97 2bzz n GLN 1004Ca 0.02 -0.08 -0.29 0.00 0.00 0.00 0.00 57.00 56.65 2bzz n GLN 1004Cb 0.34 -1.50 -0.16 0.00 0.00 0.00 0.00 30.24 28.92 2bzz n GLN 1004CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2bzz s PHE 1005N -2.34 2.15 1.05 2.61 0.40 -1.13 -5.09 117.98 115.63 2bzz s PHE 1005Ca 0.36 -0.66 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 2bzz s PHE 1005Cb 0.21 -1.43 0.22 0.00 0.51 0.00 0.00 43.02 42.53 2bzz s PHE 1005CO 0.43 -0.22 1.07 0.95 0.70 0.00 0.00 175.22 178.15 2bzz s THR 1006N -0.03 2.16 0.23 0.64 -4.23 -1.26 -4.73 115.64 108.41 2bzz s THR 1006Ca -0.05 0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 2bzz s THR 1006Cb -0.13 -2.25 0.18 0.00 1.34 0.00 0.00 72.50 71.64 2bzz s THR 1006CO 0.04 -0.07 1.84 -0.50 -0.54 0.00 0.00 174.62 175.39 2bzz h TRP 1007N -2.20 0.88 -0.66 3.99 4.06 -1.94 -0.36 115.95 119.72 2bzz h TRP 1007Ca -0.55 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.37 2bzz h TRP 1007Cb 1.31 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 29.16 2bzz h TRP 1007CO 0.34 0.45 0.18 0.00 -3.56 0.00 0.00 178.44 175.85 2bzz h ALA 1008N 1.37 0.86 -0.64 1.49 0.00 -1.90 0.29 119.26 120.74 2bzz h ALA 1008Ca 0.34 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2bzz h ALA 1008Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2bzz h ALA 1008CO -0.16 0.56 0.17 1.96 0.00 0.00 0.00 179.25 181.78 2bzz h GLN 1009N 0.96 0.98 -0.53 0.00 4.20 -1.78 -0.93 115.11 118.02 2bzz h GLN 1009Ca 0.21 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2bzz h GLN 1009Cb 0.33 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2bzz h GLN 1009CO -0.00 0.86 -0.09 2.35 -0.67 0.00 0.00 178.83 181.28 2bzz h TRP 1010N 0.94 1.12 -0.31 2.96 -0.00 -0.82 -0.95 115.95 118.89 2bzz h TRP 1010Ca 0.21 -0.23 0.04 0.00 -0.00 0.00 0.00 58.89 58.91 2bzz h TRP 1010Cb 0.31 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.16 29.15 2bzz h TRP 1010CO 0.02 1.04 0.08 0.35 -0.00 0.00 0.00 178.44 179.93 2bzz h PHE 1011N 0.88 0.14 -0.54 2.65 3.57 -0.67 -0.24 116.94 122.72 2bzz h PHE 1011Ca 0.14 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2bzz h PHE 1011Cb 0.65 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 2bzz h PHE 1011CO 0.05 0.05 0.35 1.49 -2.23 0.00 0.00 178.31 178.01 2bzz h GLU 1012N 0.20 0.69 -0.78 1.11 4.81 -1.00 0.95 114.58 120.56 2bzz h GLU 1012Ca 0.14 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2bzz h GLU 1012Cb 0.14 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2bzz h GLU 1012CO -0.17 0.45 0.29 1.15 -0.73 0.00 0.00 179.01 180.00 2bzz h THR 1013N 0.71 1.26 0.05 0.32 2.02 -0.81 0.53 112.91 116.98 2bzz h THR 1013Ca 0.21 -0.84 -0.27 0.00 0.77 0.00 0.00 66.41 66.27 2bzz h THR 1013Cb -0.05 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 2bzz h THR 1013CO -0.06 0.34 -1.42 1.56 0.37 0.00 0.00 175.52 176.31 2bzz h GLN 1014N 1.14 0.10 0.00 6.66 4.20 -0.88 -3.40 115.11 122.94 2bzz h GLN 1014Ca 0.26 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2bzz h GLN 1014Cb 0.24 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2bzz h GLN 1014CO -0.02 0.91 0.00 0.72 -0.67 0.00 0.00 178.83 179.78 2bzz n HIS 1015N -3.31 0.00 0.00 2.96 8.25 0.31 -4.59 115.22 118.84 2bzz n HIS 1015Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2bzz n HIS 1015Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 2bzz n HIS 1015CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2bzz n ILE 1016N -0.39 0.00 -2.42 1.59 2.08 -0.72 -0.66 119.36 118.84 2bzz n ILE 1016Ca 0.00 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.88 2bzz n ILE 1016Cb 0.02 -1.16 0.00 0.00 -0.75 0.00 0.00 39.64 37.75 2bzz n ILE 1016CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2bzz n ASN 1017N -2.81 4.82 -4.57 4.38 3.02 0.10 -4.83 115.26 115.37 2bzz n ASN 1017Ca 0.00 -2.97 -0.42 0.00 -0.03 0.00 0.00 54.58 51.16 2bzz n ASN 1017Cb 0.41 -1.61 -0.03 0.00 -0.61 0.00 0.00 39.78 37.94 2bzz n ASN 1017CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2bzz s MET 1018N 2.24 3.33 0.02 3.52 1.75 -1.26 -4.87 119.30 124.04 2bzz s MET 1018Ca 0.46 0.15 0.25 0.00 -1.25 0.00 0.00 55.69 55.30 2bzz s MET 1018Cb 0.06 -4.11 1.05 0.00 2.84 0.00 0.00 34.83 34.67 2bzz s MET 1018CO 0.00 -1.93 1.80 0.25 -0.65 0.00 0.00 175.02 174.49 2bzz n THR 1019N 6.64 0.31 -3.94 10.11 -2.24 -1.26 -4.64 114.28 119.26 2bzz n THR 1019Ca 0.08 0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.81 2bzz n THR 1019Cb 0.49 -0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 2bzz n THR 1019CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2bzz s SER 1020N -3.13 0.17 0.00 3.42 0.15 -1.26 -4.97 113.70 108.09 2bzz s SER 1020Ca 0.12 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 56.59 2bzz s SER 1020Cb 0.16 0.15 1.30 0.00 -1.71 0.00 0.00 66.02 65.92 2bzz s SER 1020CO 0.46 -0.35 1.80 0.00 1.20 0.00 0.00 173.24 176.36 2bzz n GLN 1021N 1.43 0.49 -3.55 5.44 6.02 -1.26 -4.53 117.38 121.42 2bzz n GLN 1021Ca -0.23 0.04 -0.37 0.00 -0.01 0.00 0.00 57.00 56.43 2bzz n GLN 1021Cb 0.56 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.24 2bzz n GLN 1021CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2bzz s GLN 1022N -2.37 4.17 0.23 -1.09 -1.52 -1.26 -5.00 119.66 112.82 2bzz s GLN 1022Ca 0.28 -0.02 -0.08 0.00 -1.95 0.00 0.00 55.36 53.58 2bzz s GLN 1022Cb 0.16 -3.49 0.21 0.00 -0.22 0.00 0.00 33.01 29.67 2bzz s GLN 1022CO 0.33 0.11 1.90 0.00 -0.25 0.00 0.00 175.29 177.38 2bzz h THR 1024N 1.15 1.03 -0.05 0.00 2.02 -1.92 0.18 112.91 115.33 2bzz h THR 1024Ca 0.32 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2bzz h THR 1024Cb -0.11 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 2bzz h THR 1024CO -0.08 0.16 -0.09 0.78 0.37 0.00 0.00 175.52 176.66 2bzz h ASN 1025N 0.87 0.17 -0.54 4.18 4.21 -1.85 -3.17 115.58 119.45 2bzz h ASN 1025Ca 0.33 -0.56 -0.02 0.00 1.21 0.00 0.00 56.30 57.26 2bzz h ASN 1025Cb 0.14 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.26 2bzz h ASN 1025CO -0.16 0.70 0.27 0.00 -1.29 0.00 0.00 177.43 176.94 2bzz h ALA 1026N 0.48 1.39 0.00 -0.83 0.00 -0.80 -2.36 119.26 117.13 2bzz h ALA 1026Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2bzz h ALA 1026Cb 0.67 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2bzz h ALA 1026CO 0.02 0.48 -0.12 0.52 0.00 0.00 0.00 179.25 180.15 2bzz h MET 1027N 0.81 0.00 -0.86 0.00 2.86 -1.02 -2.88 114.93 113.84 2bzz h MET 1027Ca 0.20 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.95 2bzz h MET 1027Cb 0.10 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2bzz h MET 1027CO -0.03 0.12 0.55 1.96 1.06 0.00 0.00 176.91 180.58 2bzz h GLN 1028N 0.00 0.75 0.46 1.72 4.20 -1.39 0.15 115.11 121.00 2bzz h GLN 1028Ca -0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2bzz h GLN 1028Cb 0.59 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2bzz h GLN 1028CO 0.02 0.49 -0.22 0.28 -0.67 0.00 0.00 178.83 178.73 2bzz h VAL 1029N 0.77 0.53 -0.42 -0.54 2.07 -1.66 0.65 116.25 117.63 2bzz h VAL 1029Ca 0.41 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.72 2bzz h VAL 1029Cb 0.52 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2bzz h VAL 1029CO -0.17 0.04 0.19 0.40 0.02 0.00 0.00 177.57 178.05 2bzz h ILE 1030N -0.77 0.94 -0.30 4.57 2.04 -1.61 -2.00 117.51 120.38 2bzz h ILE 1030Ca -0.06 -0.13 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 2bzz h ILE 1030Cb 0.54 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2bzz h ILE 1030CO 0.10 0.07 -0.37 0.78 0.00 0.00 0.00 178.15 178.74 2bzz h ASN 1031N 0.39 0.71 0.02 1.72 2.35 -0.89 -0.04 115.58 119.84 2bzz h ASN 1031Ca 0.19 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 2bzz h ASN 1031Cb 0.12 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2bzz h ASN 1031CO -0.15 1.01 -0.28 0.78 -1.65 0.00 0.00 177.43 177.14 2bzz h ASN 1032N 0.56 0.40 -0.12 5.81 2.35 -0.71 0.21 115.58 124.08 2bzz h ASN 1032Ca 0.05 -0.14 -0.19 0.00 -0.55 0.00 0.00 56.30 55.48 2bzz h ASN 1032Cb 0.89 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2bzz h ASN 1032CO 0.08 0.68 -0.61 1.88 -1.65 0.00 0.00 177.43 177.81 2bzz h TYR 1033N 0.35 0.93 0.00 1.19 0.05 -1.00 -3.29 116.97 115.20 2bzz h TYR 1033Ca 0.05 -0.35 0.00 0.00 0.05 0.00 0.00 58.73 58.48 2bzz h TYR 1033Cb 0.68 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2bzz h TYR 1033CO 0.02 1.15 -0.34 1.04 -1.05 0.00 0.00 178.16 178.98 2bzz n GLN 1034N -3.96 0.09 -3.64 4.88 6.02 -0.06 -4.70 117.38 116.00 2bzz n GLN 1034Ca -0.05 0.04 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 2bzz n GLN 1034Cb 0.65 -1.57 0.07 0.00 1.02 0.00 0.00 30.24 30.41 2bzz n GLN 1034CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2bzz n ARG 1035N -1.72 -7.40 -3.61 -1.09 5.12 0.72 -4.98 116.66 103.71 2bzz n ARG 1035Ca 0.05 0.79 -0.06 0.00 -1.93 0.00 0.00 57.85 56.70 2bzz n ARG 1035Cb 0.37 -5.81 -0.02 0.00 -1.16 0.00 0.00 32.46 25.85 2bzz n ARG 1035CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2bzz s ARG 1036N -6.36 0.89 -0.46 5.56 1.70 -1.10 -5.07 118.95 114.11 2bzz s ARG 1036Ca 0.60 -0.41 -0.22 0.00 -0.47 0.00 0.00 55.73 55.23 2bzz s ARG 1036Cb -0.27 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.49 2bzz s ARG 1036CO 0.74 -0.40 0.71 0.00 -1.08 0.00 0.00 175.30 175.27 2bzz s LYS 1038N 3.06 4.18 0.21 0.00 2.20 -1.26 -4.92 119.74 123.21 2bzz s LYS 1038Ca 0.25 2.47 -0.04 0.00 -0.36 0.00 0.00 55.97 58.29 2bzz s LYS 1038Cb -0.14 -3.06 0.18 0.00 -1.51 0.00 0.00 37.83 33.30 2bzz s LYS 1038CO 0.20 -0.55 1.60 -0.97 -0.36 0.00 0.00 175.35 175.26 2bzz h ASN 1039N 4.93 0.72 -5.07 1.43 -0.00 -1.95 -3.42 115.58 112.21 2bzz h ASN 1039Ca -0.47 -0.29 -0.05 0.00 -0.00 0.00 0.00 56.30 55.49 2bzz h ASN 1039Cb 1.22 -0.20 -0.13 0.00 -0.00 0.00 0.00 38.32 39.21 2bzz h ASN 1039CO 0.79 0.99 -0.07 0.00 -0.00 0.00 0.00 177.43 179.13 2bzz s GLN 1040N -4.41 1.06 -0.28 6.67 -2.07 -1.26 -0.79 119.66 118.58 2bzz s GLN 1040Ca -0.09 -0.69 -0.23 0.00 -1.82 0.00 0.00 55.36 52.53 2bzz s GLN 1040Cb 0.12 0.47 0.11 0.00 -1.09 0.00 0.00 33.01 32.62 2bzz s GLN 1040CO 0.83 -0.41 0.90 1.21 -1.32 0.00 0.00 175.29 176.51 2bzz s ASN 1041N -2.77 -0.59 -0.16 12.60 2.47 -0.34 -5.00 114.94 121.15 2bzz s ASN 1041Ca 0.03 1.09 -0.07 0.00 0.42 0.00 0.00 52.86 54.33 2bzz s ASN 1041Cb 0.02 1.14 -0.04 0.00 -1.45 0.00 0.00 41.25 40.91 2bzz s ASN 1041CO -0.12 -0.19 0.10 -0.89 -3.72 0.00 0.00 177.10 172.29 2bzz s THR 1042N 0.52 5.14 -0.23 -5.21 2.01 -1.26 -0.47 115.64 116.14 2bzz s THR 1042Ca -0.00 0.08 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 2bzz s THR 1042Cb -0.05 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 2bzz s THR 1042CO -0.06 0.52 0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 2bzz s PHE 1043N -0.22 3.06 -0.08 4.92 0.08 0.07 -4.37 117.98 121.43 2bzz s PHE 1043Ca 0.09 -0.49 -0.25 0.00 0.12 0.00 0.00 56.93 56.40 2bzz s PHE 1043Cb -0.12 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 2bzz s PHE 1043CO 0.01 -0.33 0.80 -0.51 -0.10 0.00 0.00 175.22 175.09 2bzz s LEU 1044N 1.33 4.29 -1.27 -0.37 1.43 0.17 -0.98 118.68 123.28 2bzz s LEU 1044Ca 0.04 1.29 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 2bzz s LEU 1044Cb -0.15 -3.24 0.17 0.00 0.03 0.00 0.00 46.19 43.01 2bzz s LEU 1044CO 0.02 -0.23 1.85 0.18 0.23 0.00 0.00 176.35 178.40 2bzz n LEU 1045N 4.22 6.63 -4.16 1.79 4.77 0.34 -4.59 117.00 125.99 2bzz n LEU 1045Ca 0.02 -4.67 -0.15 0.00 -0.03 0.00 0.00 56.01 51.18 2bzz n LEU 1045Cb 0.51 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.06 2bzz n LEU 1045CO 0.48 1.39 -0.01 0.28 -1.33 0.00 0.00 177.39 178.20 2bzz s THR 1046N 0.26 0.00 0.22 -5.08 -1.32 -1.26 -4.50 115.64 103.96 2bzz s THR 1046Ca 0.39 -1.79 -0.02 0.00 -1.21 0.00 0.00 61.69 59.07 2bzz s THR 1046Cb 0.09 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 2bzz s THR 1046CO 0.01 0.00 0.43 0.42 -2.21 0.00 0.00 174.62 173.27 2bzz s THR 1047N -3.52 5.16 0.23 5.08 -4.23 -1.26 -4.96 115.64 112.14 2bzz s THR 1047Ca 0.35 -0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.55 2bzz s THR 1047Cb 0.02 -3.73 0.19 0.00 1.34 0.00 0.00 72.50 70.32 2bzz s THR 1047CO 0.20 -0.20 1.81 0.15 -0.54 0.00 0.00 174.62 176.03 2bzz h PHE 1048N 1.95 0.80 -0.98 3.99 3.57 -1.98 -1.86 116.94 122.43 2bzz h PHE 1048Ca -0.48 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.07 2bzz h PHE 1048Cb 1.19 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 2bzz h PHE 1048CO 0.56 0.35 0.65 0.00 -2.23 0.00 0.00 178.31 177.64 2bzz h ALA 1049N 1.42 1.32 -0.96 2.41 0.00 -1.99 -0.50 119.26 120.96 2bzz h ALA 1049Ca 0.37 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2bzz h ALA 1049Cb 0.30 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2bzz h ALA 1049CO -0.22 0.61 0.59 -0.91 0.00 0.00 0.00 179.25 179.32 2bzz h ASN 1050N 1.30 1.15 -0.08 0.00 2.35 -1.75 -1.40 115.58 117.14 2bzz h ASN 1050Ca 0.37 -0.06 -0.18 0.00 -0.55 0.00 0.00 56.30 55.88 2bzz h ASN 1050Cb -0.10 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 37.98 2bzz h ASN 1050CO -0.09 0.87 -0.60 -0.37 -1.65 0.00 0.00 177.43 175.59 2bzz h VAL 1051N 1.32 1.30 -0.83 2.81 -1.51 -0.76 -1.73 116.25 116.85 2bzz h VAL 1051Ca 0.35 -1.83 0.10 0.00 -1.23 0.00 0.00 66.70 64.09 2bzz h VAL 1051Cb -0.07 1.78 -0.08 0.00 -2.13 0.00 0.00 31.29 30.79 2bzz h VAL 1051CO -0.07 0.58 0.47 0.58 -1.23 0.00 0.00 177.57 177.90 2bzz h VAL 1052N 0.52 0.88 -0.31 7.19 2.07 -0.89 -0.73 116.25 124.98 2bzz h VAL 1052Ca -0.00 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2bzz h VAL 1052Cb 1.18 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2bzz h VAL 1052CO 0.12 0.14 -0.11 -1.13 0.02 0.00 0.00 177.57 176.61 2bzz h ASN 1053N 0.77 0.50 -0.44 0.57 -0.73 -0.91 -1.30 115.58 114.04 2bzz h ASN 1053Ca 0.41 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.46 2bzz h ASN 1053Cb 0.41 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.85 2bzz h ASN 1053CO -0.26 0.64 0.28 0.58 -0.37 0.00 0.00 177.43 178.30 2bzz h VAL 1054N 0.48 1.12 -0.01 2.57 2.07 -0.26 -0.07 116.25 122.16 2bzz h VAL 1054Ca 0.09 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2bzz h VAL 1054Cb 0.48 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2bzz h VAL 1054CO 0.03 0.12 0.09 0.00 0.02 0.00 0.00 177.57 177.83 2bzz n GLY 1056N -1.13 -1.27 3.78 0.00 0.00 -0.04 -4.90 105.19 101.62 2bzz n GLY 1056Ca -0.03 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2bzz n GLY 1056CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bzz s ASN 1057N -2.80 4.03 0.47 1.61 0.01 -0.07 -4.96 114.94 113.24 2bzz s ASN 1057Ca 0.20 1.29 -0.23 0.00 -0.71 0.00 0.00 52.86 53.41 2bzz s ASN 1057Cb 0.19 -1.99 -0.09 0.00 0.41 0.00 0.00 41.25 39.77 2bzz s ASN 1057CO 0.54 -2.26 1.06 -2.65 -1.51 0.00 0.00 177.10 172.28 2bzz n PRO 1058N -3.62 1.37 -2.17 -0.60 -0.02 -1.26 -4.92 135.00 123.78 2bzz n PRO 1058Ca 0.07 0.50 -0.38 0.00 -2.02 0.00 0.00 63.50 61.67 2bzz n PRO 1058Cb 0.56 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2bzz n PRO 1058CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2bzz s ASN 1059N -0.83 6.11 0.10 2.55 -0.87 -1.26 -4.43 114.94 116.32 2bzz s ASN 1059Ca 0.66 2.41 -0.04 0.00 -1.57 0.00 0.00 52.86 54.32 2bzz s ASN 1059Cb -0.51 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.25 38.09 2bzz s ASN 1059CO 0.54 -0.97 0.10 0.00 -2.57 0.00 0.00 177.10 174.21 2bzz s MET 1060N -2.62 0.85 0.27 -0.60 0.23 0.16 -4.99 119.30 112.60 2bzz s MET 1060Ca 0.63 -1.21 -0.30 0.00 -1.03 0.00 0.00 55.69 53.78 2bzz s MET 1060Cb -0.32 0.28 -0.10 0.00 -1.53 0.00 0.00 34.83 33.17 2bzz s MET 1060CO 0.39 -0.24 1.37 0.99 -2.03 0.00 0.00 175.02 175.49 2bzz s THR 1061N -3.95 2.78 -0.10 3.16 2.01 -1.26 -2.76 115.64 115.52 2bzz s THR 1061Ca 0.13 0.70 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 2bzz s THR 1061Cb 0.06 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2bzz s THR 1061CO -0.05 0.13 1.37 0.00 -0.69 0.00 0.00 174.62 175.38 2bzz h PRO 1063N 8.39 0.00 0.00 0.00 0.10 -1.92 -1.33 132.00 137.24 2bzz h PRO 1063Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.78 2bzz h PRO 1063Cb 1.14 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.24 2bzz h PRO 1063CO 0.95 0.00 -0.04 0.43 0.10 0.00 0.00 178.00 179.43 2bzz n SER 1064N -4.45 0.43 -3.33 -2.05 7.64 -1.26 -4.66 113.62 105.95 2bzz n SER 1064Ca 0.03 0.49 -0.09 0.00 1.01 0.00 0.00 58.87 60.31 2bzz n SER 1064Cb 0.32 -0.59 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 2bzz n SER 1064CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2bzz s ASN 1065N -3.77 0.36 0.00 6.43 3.84 -0.50 -5.03 114.94 116.27 2bzz s ASN 1065Ca 0.12 -0.12 0.16 0.00 0.21 0.00 0.00 52.86 53.23 2bzz s ASN 1065Cb 0.16 1.10 0.93 0.00 -0.55 0.00 0.00 41.25 42.88 2bzz s ASN 1065CO 0.58 -0.33 1.37 0.29 -2.79 0.00 0.00 177.10 176.22 2bzz n LYS 1066N 5.36 0.46 0.00 0.43 5.02 -1.24 -1.53 118.16 126.66 2bzz n LYS 1066Ca -0.01 0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 2bzz n LYS 1066Cb 0.50 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.18 2bzz n LYS 1066CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2bzz n THR 1067N -1.04 0.00 -4.67 -0.18 -2.24 -1.26 -4.93 114.28 99.96 2bzz n THR 1067Ca 0.11 -0.38 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 2bzz n THR 1067Cb 0.06 1.19 -0.12 0.00 -2.10 0.00 0.00 70.33 69.37 2bzz n THR 1067CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2bzz s ARG 1068N -2.14 2.81 -0.11 -0.78 1.81 -0.58 -5.01 118.95 114.94 2bzz s ARG 1068Ca 0.27 -0.58 0.16 0.00 -1.72 0.00 0.00 55.73 53.86 2bzz s ARG 1068Cb 0.20 -2.58 0.26 0.00 -0.45 0.00 0.00 34.95 32.38 2bzz s ARG 1068CO 0.38 0.60 1.13 1.17 -0.68 0.00 0.00 175.30 177.91 2bzz n LYS 1069N 2.40 1.10 -0.97 3.54 3.00 -1.26 -1.41 118.16 124.56 2bzz n LYS 1069Ca -0.18 -2.39 -0.04 0.00 -0.00 0.00 0.00 58.31 55.70 2bzz n LYS 1069Cb 0.53 -1.35 0.31 0.00 0.00 0.00 0.00 35.03 34.51 2bzz n LYS 1069CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2bzz n ASN 1070N -1.20 4.76 -4.95 3.14 6.94 -1.26 -4.22 115.26 118.48 2bzz n ASN 1070Ca 0.14 -3.22 -0.24 0.00 -0.02 0.00 0.00 54.58 51.24 2bzz n ASN 1070Cb 0.66 -0.73 -0.02 0.00 -2.36 0.00 0.00 39.78 37.33 2bzz n ASN 1070CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2bzz s HIS 1072N -2.15 -0.40 0.15 0.00 3.76 -0.03 -0.66 115.29 115.95 2bzz s HIS 1072Ca 0.38 0.93 -0.22 0.00 -0.15 0.00 0.00 55.06 56.00 2bzz s HIS 1072Cb -0.10 0.12 -0.08 0.00 1.11 0.00 0.00 32.58 33.64 2bzz s HIS 1072CO 0.33 -0.25 0.70 -1.58 -0.85 0.00 0.00 174.74 173.09 2bzz s HIS 1073N 1.04 3.82 0.39 1.40 2.46 -1.26 -1.71 115.29 121.43 2bzz s HIS 1073Ca -0.07 1.46 0.39 0.00 0.47 0.00 0.00 55.06 57.31 2bzz s HIS 1073Cb -0.08 -2.65 1.89 0.00 -0.13 0.00 0.00 32.58 31.61 2bzz s HIS 1073CO -0.08 0.50 2.18 0.66 -2.47 0.00 0.00 174.74 175.53 2bzz h SER 1074N 4.17 0.00 0.00 9.88 4.64 -1.26 -3.47 113.55 127.51 2bzz h SER 1074Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2bzz h SER 1074Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2bzz h SER 1074CO 0.65 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 2bzz n GLY 1075N -0.54 1.68 3.57 -0.77 0.00 -1.26 -4.88 105.19 102.99 2bzz n GLY 1075Ca -0.01 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2bzz n GLY 1075CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bzz s SER 1076N 0.00 4.04 0.52 1.61 1.04 -1.26 -5.10 113.70 114.55 2bzz s SER 1076Ca 0.00 -0.91 -0.17 0.00 0.48 0.00 0.00 55.95 55.35 2bzz s SER 1076Cb 0.00 -0.53 -0.07 0.00 0.10 0.00 0.00 66.02 65.52 2bzz s SER 1076CO 0.00 -0.06 0.99 -1.10 0.98 0.00 0.00 173.24 174.06 2bzz s GLN 1077N -3.62 3.87 0.15 4.02 -0.21 -1.26 -4.59 119.66 118.02 2bzz s GLN 1077Ca 0.32 0.99 0.05 0.00 0.02 0.00 0.00 55.36 56.75 2bzz s GLN 1077Cb -0.04 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 2bzz s GLN 1077CO 0.18 -0.34 -0.12 0.14 -2.12 0.00 0.00 175.29 173.03 2bzz s VAL 1078N -2.59 1.30 0.49 1.09 -7.23 -0.06 -4.88 120.40 108.52 2bzz s VAL 1078Ca 0.60 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.55 2bzz s VAL 1078Cb -0.11 -1.80 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 2bzz s VAL 1078CO 0.32 -0.64 1.15 -2.84 -0.31 0.00 0.00 175.10 172.78 2bzz s PRO 1079N -3.46 3.61 0.15 4.82 0.02 -1.26 -1.55 135.00 137.34 2bzz s PRO 1079Ca 0.16 1.72 -0.10 0.00 0.02 0.00 0.00 61.00 62.79 2bzz s PRO 1079Cb 0.00 -2.26 -0.00 0.00 0.02 0.00 0.00 34.50 32.26 2bzz s PRO 1079CO 0.02 -0.66 0.30 -0.48 -0.33 0.00 0.00 177.00 175.85 2bzz s LEU 1080N -3.30 0.93 -0.11 -5.54 0.05 0.02 -0.50 118.68 110.23 2bzz s LEU 1080Ca 0.67 -0.77 0.01 0.00 0.05 0.00 0.00 54.13 54.09 2bzz s LEU 1080Cb -0.27 1.29 0.02 0.00 -2.05 0.00 0.00 46.19 45.18 2bzz s LEU 1080CO 0.32 -0.88 -0.13 -0.63 -0.55 0.00 0.00 176.35 174.48 2bzz s ILE 1081N -3.93 1.33 -0.19 1.48 -1.09 -0.15 -1.50 121.20 117.14 2bzz s ILE 1081Ca 0.14 -0.53 -0.07 0.00 -2.23 0.00 0.00 60.65 57.96 2bzz s ILE 1081Cb 0.03 -1.25 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 2bzz s ILE 1081CO -0.03 0.41 0.06 -2.28 -1.23 0.00 0.00 174.94 171.87 2bzz s HIS 1082N 1.16 3.20 -0.16 3.97 2.46 -0.24 -0.75 115.29 124.93 2bzz s HIS 1082Ca -0.04 -0.04 -0.07 0.00 0.47 0.00 0.00 55.06 55.39 2bzz s HIS 1082Cb -0.14 -2.10 -0.04 0.00 -0.13 0.00 0.00 32.58 30.17 2bzz s HIS 1082CO -0.03 0.05 0.07 0.00 -2.47 0.00 0.00 174.74 172.36 2bzz s ASN 1084N -0.02 2.19 -0.02 0.00 0.01 -0.67 -1.20 114.94 115.24 2bzz s ASN 1084Ca 0.07 -0.38 -0.30 0.00 -0.71 0.00 0.00 52.86 51.54 2bzz s ASN 1084Cb -0.12 -1.01 -0.06 0.00 0.41 0.00 0.00 41.25 40.47 2bzz s ASN 1084CO 0.01 0.07 1.58 -0.22 -1.51 0.00 0.00 177.10 177.03 2bzz s LEU 1085N 0.61 4.32 -0.07 0.60 2.96 0.03 -0.60 118.68 126.53 2bzz s LEU 1085Ca -0.15 2.25 0.18 0.00 -0.22 0.00 0.00 54.13 56.19 2bzz s LEU 1085Cb -0.16 -3.55 -0.27 0.00 0.50 0.00 0.00 46.19 42.71 2bzz s LEU 1085CO 0.05 -0.86 0.31 0.35 -1.32 0.00 0.00 176.35 174.87 2bzz n THR 1086N 5.12 0.37 -3.49 3.68 -2.24 -0.13 -4.89 114.28 112.69 2bzz n THR 1086Ca 0.16 -0.53 -0.26 0.00 -2.27 0.00 0.00 64.05 61.15 2bzz n THR 1086Cb 0.42 -0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 68.40 2bzz n THR 1086CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bzz s THR 1087N -3.04 -0.14 -1.61 4.28 2.01 -1.01 -4.98 115.64 111.14 2bzz s THR 1087Ca -0.07 -0.78 0.20 0.00 0.31 0.00 0.00 61.69 61.34 2bzz s THR 1087Cb 0.10 -0.98 0.41 0.00 0.01 0.00 0.00 72.50 72.04 2bzz s THR 1087CO 0.77 -0.69 1.60 -2.65 -0.69 0.00 0.00 174.62 172.96 2bzz n PRO 1088N 5.13 0.39 -0.54 4.92 -0.02 -1.26 -2.24 135.00 141.37 2bzz n PRO 1088Ca -0.03 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2bzz n PRO 1088Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 2bzz n PRO 1088CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2bzz n SER 1089N -1.19 0.00 -0.34 2.55 2.88 -1.26 -4.77 113.62 111.48 2bzz n SER 1089Ca 0.11 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.61 2bzz n SER 1089Cb 0.13 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.58 2bzz n SER 1089CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2bzz n PRO 1090N -0.10 -0.27 -2.02 -1.46 -0.01 -1.26 -2.64 135.00 127.24 2bzz n PRO 1090Ca 0.00 1.32 -0.30 0.00 -0.01 0.00 0.00 63.50 64.51 2bzz n PRO 1090Cb 0.00 -1.96 0.03 0.00 -0.01 0.00 0.00 33.50 31.56 2bzz n PRO 1090CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 175.50 176.43 2bzz n GLN 1091N -5.20 3.21 0.00 -0.52 -0.06 -1.26 -4.58 117.38 108.96 2bzz n GLN 1091Ca 0.06 -3.98 0.00 0.00 -2.00 0.00 0.00 57.00 51.08 2bzz n GLN 1091Cb 0.30 -2.27 0.00 0.00 -4.06 0.00 0.00 30.24 24.21 2bzz n GLN 1091CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2bzz n ASN 1092N -0.64 0.00 0.29 1.69 4.05 -1.08 -5.04 115.26 114.53 2bzz n ASN 1092Ca 0.48 0.00 0.17 0.00 0.45 0.00 0.00 54.58 55.68 2bzz n ASN 1092Cb 0.66 0.00 0.83 0.00 1.23 0.00 0.00 39.78 42.50 2bzz n ASN 1092CO 0.00 0.00 0.00 0.16 -3.05 0.00 0.00 177.26 174.37 2bzz h ILE 1093N 0.00 0.17 0.00 -1.44 3.07 -1.80 -0.34 117.51 117.17 2bzz h ILE 1093Ca 0.00 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.99 2bzz h ILE 1093Cb 0.00 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 37.90 2bzz h ILE 1093CO 0.00 0.04 0.00 -1.54 -1.05 0.00 0.00 178.15 175.60 2bzz n SER 1094N -3.24 0.01 -1.14 2.16 3.41 -1.26 -1.96 113.62 111.60 2bzz n SER 1094Ca -0.01 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.21 2bzz n SER 1094Cb 0.23 -0.51 0.27 0.00 -0.26 0.00 0.00 64.21 63.95 2bzz n SER 1094CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2bzz n ASN 1095N -1.52 3.33 -4.77 4.04 3.02 -0.14 -4.90 115.26 114.33 2bzz n ASN 1095Ca 0.04 -1.98 -0.40 0.00 -0.03 0.00 0.00 54.58 52.21 2bzz n ASN 1095Cb 0.20 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 2bzz n ASN 1095CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bzz s ARG 1097N -2.04 1.12 0.11 0.00 0.52 -0.95 -4.94 118.95 112.76 2bzz s ARG 1097Ca 0.53 -1.22 0.06 0.00 -0.52 0.00 0.00 55.73 54.59 2bzz s ARG 1097Cb -0.39 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 33.80 2bzz s ARG 1097CO 0.51 0.27 -0.16 0.71 0.02 0.00 0.00 175.30 176.65 2bzz s TYR 1098N -1.55 1.47 0.41 -0.53 1.51 -1.26 -0.96 117.35 116.44 2bzz s TYR 1098Ca 0.08 -0.49 -0.04 0.00 -1.01 0.00 0.00 57.07 55.62 2bzz s TYR 1098Cb -0.08 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 2bzz s TYR 1098CO 0.05 0.15 0.68 0.00 -1.11 0.00 0.00 175.55 175.31 2bzz s ALA 1099N -1.65 3.52 -0.04 3.71 0.00 0.23 -4.49 121.76 123.05 2bzz s ALA 1099Ca 0.06 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2bzz s ALA 1099Cb -0.08 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2bzz s ALA 1099CO 0.03 -0.13 -0.12 1.14 0.00 0.00 0.00 175.76 176.68 2bzz s GLN 1100N -4.36 1.33 -0.18 0.00 -2.07 -1.26 -1.67 119.66 111.45 2bzz s GLN 1100Ca 0.45 -0.42 0.00 0.00 -1.82 0.00 0.00 55.36 53.57 2bzz s GLN 1100Cb -0.10 -1.18 0.04 0.00 -1.09 0.00 0.00 33.01 30.68 2bzz s GLN 1100CO 0.39 0.15 -0.09 0.99 -1.32 0.00 0.00 175.29 175.41 2bzz s THR 1101N 0.18 1.47 0.25 3.63 2.01 -0.01 -4.96 115.64 118.21 2bzz s THR 1101Ca -0.04 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 60.88 2bzz s THR 1101Cb -0.10 -1.56 -0.09 0.00 0.01 0.00 0.00 72.50 70.76 2bzz s THR 1101CO 0.01 0.18 0.79 -2.16 -0.69 0.00 0.00 174.62 172.75 2bzz s PRO 1102N 1.48 4.35 0.23 4.92 0.04 -1.26 -1.08 135.00 143.67 2bzz s PRO 1102Ca -0.00 1.00 -0.19 0.00 0.04 0.00 0.00 61.00 61.85 2bzz s PRO 1102Cb -0.16 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.55 2bzz s PRO 1102CO -0.08 0.36 0.59 0.00 0.04 0.00 0.00 177.00 177.91 2bzz s ALA 1103N -1.55 -1.00 -0.21 8.56 0.00 -0.57 -4.99 121.76 122.00 2bzz s ALA 1103Ca 0.45 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2bzz s ALA 1103Cb -0.17 0.89 0.05 0.00 0.00 0.00 0.00 23.12 23.88 2bzz s ALA 1103CO 0.22 -0.89 -0.09 -0.80 0.00 0.00 0.00 175.76 174.19 2bzz s ASN 1104N -2.90 3.62 0.06 0.00 -0.87 -1.26 -0.79 114.94 112.80 2bzz s ASN 1104Ca 0.11 -1.01 -0.05 0.00 -1.57 0.00 0.00 52.86 50.33 2bzz s ASN 1104Cb -0.03 -1.26 -0.02 0.00 -0.02 0.00 0.00 41.25 39.93 2bzz s ASN 1104CO 0.01 -0.17 0.10 -0.04 -2.57 0.00 0.00 177.10 174.43 2bzz s MET 1105N 1.36 0.69 0.72 -0.60 -1.94 -0.59 -4.87 119.30 114.06 2bzz s MET 1105Ca -0.03 -0.96 -0.11 0.00 -1.71 0.00 0.00 55.69 52.88 2bzz s MET 1105Cb -0.17 0.27 0.02 0.00 2.01 0.00 0.00 34.83 36.96 2bzz s MET 1105CO -0.07 -0.18 1.08 -0.06 -0.01 0.00 0.00 175.02 175.77 2bzz s PHE 1106N -3.45 3.18 0.06 -0.03 0.08 -0.28 -0.88 117.98 116.66 2bzz s PHE 1106Ca 0.02 1.20 0.00 0.00 0.12 0.00 0.00 56.93 58.27 2bzz s PHE 1106Cb 0.04 -2.99 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 2bzz s PHE 1106CO -0.09 -1.29 -0.05 1.52 -0.10 0.00 0.00 175.22 175.22 2bzz s TYR 1107N -3.20 0.63 -0.14 0.36 1.13 -1.26 -1.08 117.35 113.79 2bzz s TYR 1107Ca 0.58 -0.91 0.02 0.00 -1.41 0.00 0.00 57.07 55.35 2bzz s TYR 1107Cb -0.13 -0.41 0.01 0.00 -1.10 0.00 0.00 41.96 40.34 2bzz s TYR 1107CO 0.54 -0.26 -0.19 0.42 -2.51 0.00 0.00 175.55 173.55 2bzz s ILE 1108N -3.35 1.86 0.05 -3.49 1.01 -0.14 -0.69 121.20 116.46 2bzz s ILE 1108Ca 0.05 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.93 2bzz s ILE 1108Cb 0.04 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 2bzz s ILE 1108CO -0.06 0.51 -0.20 0.54 0.00 0.00 0.00 174.94 175.73 2bzz s VAL 1109N 1.02 2.68 -0.03 2.92 0.11 -0.69 -0.58 120.40 125.83 2bzz s VAL 1109Ca -0.03 -1.28 -0.16 0.00 -2.93 0.00 0.00 61.98 57.58 2bzz s VAL 1109Cb -0.15 -2.13 -0.05 0.00 -1.53 0.00 0.00 36.38 32.52 2bzz s VAL 1109CO -0.05 0.30 0.44 0.00 -3.33 0.00 0.00 175.10 172.47 2bzz s ALA 1110N -0.94 3.62 0.13 1.54 0.00 -0.33 -0.85 121.76 124.93 2bzz s ALA 1110Ca 0.15 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.00 2bzz s ALA 1110Cb -0.10 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2bzz s ALA 1110CO 0.05 0.32 -0.20 0.00 0.00 0.00 0.00 175.76 175.94 2bzz s ASP 1112N -2.21 0.20 0.62 0.00 1.01 -0.42 -4.86 116.67 111.01 2bzz s ASP 1112Ca 0.10 -1.13 -0.18 0.00 0.71 0.00 0.00 52.55 52.05 2bzz s ASP 1112Cb -0.08 0.35 -0.02 0.00 1.01 0.00 0.00 42.92 44.18 2bzz s ASP 1112CO 0.05 -0.80 1.18 0.54 0.21 0.00 0.00 175.17 176.36 2bzz s ASN 1113N -3.04 5.09 0.93 0.27 4.22 -1.26 -1.15 114.94 120.00 2bzz s ASN 1113Ca 0.24 2.31 -0.11 0.00 -2.14 0.00 0.00 52.86 53.16 2bzz s ASN 1113Cb 0.06 -2.59 0.15 0.00 1.28 0.00 0.00 41.25 40.15 2bzz s ASN 1113CO 0.03 -1.65 1.11 0.00 -2.04 0.00 0.00 177.10 174.54 2bzz s ARG 1114N -3.51 0.94 -0.12 3.55 1.70 0.05 -4.80 118.95 116.75 2bzz s ARG 1114Ca 0.75 1.23 -0.29 0.00 -0.47 0.00 0.00 55.73 56.94 2bzz s ARG 1114Cb -0.28 -1.74 -0.04 0.00 -0.57 0.00 0.00 34.95 32.31 2bzz s ARG 1114CO 0.35 -2.58 1.63 0.34 -1.08 0.00 0.00 175.30 173.97 2bzz s ASP 1115N -2.91 6.55 0.25 -2.89 -1.08 -1.26 -4.90 116.67 110.43 2bzz s ASP 1115Ca 0.65 1.98 -0.05 0.00 -0.52 0.00 0.00 52.55 54.62 2bzz s ASP 1115Cb -0.21 -2.53 0.32 0.00 -1.46 0.00 0.00 42.92 39.04 2bzz s ASP 1115CO 0.59 -1.06 1.89 1.56 0.52 0.00 0.00 175.17 178.67 2bzz h GLN 1116N 10.02 1.14 0.00 4.34 7.50 -1.91 -1.53 115.11 134.67 2bzz h GLN 1116Ca -0.37 -0.07 -0.22 0.00 0.50 0.00 0.00 58.65 58.49 2bzz h GLN 1116Cb 1.17 -0.26 -0.04 0.00 0.05 0.00 0.00 27.48 28.40 2bzz h GLN 1116CO 0.97 0.76 -1.30 -0.09 -1.50 0.00 0.00 178.83 177.66 2bzz h ARG 1117N 1.18 0.00 0.00 1.46 1.12 -2.03 -3.42 114.38 112.68 2bzz h ARG 1117Ca 0.39 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.24 2bzz h ARG 1117Cb 0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.00 2bzz h ARG 1117CO -0.13 0.62 -1.09 0.54 -3.11 0.00 0.00 179.97 176.80 2bzz n ARG 1118N -3.14 2.04 -2.98 0.20 1.74 -1.14 -5.02 116.66 108.36 2bzz n ARG 1118Ca -0.08 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.63 2bzz n ARG 1118Cb 0.95 -1.04 -0.06 0.00 -1.02 0.00 0.00 32.46 31.29 2bzz n ARG 1118CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bzz s ASP 1119N -2.72 7.15 0.34 0.55 1.01 -0.59 -5.01 116.67 117.40 2bzz s ASP 1119Ca -0.01 1.57 -0.29 0.00 0.71 0.00 0.00 52.55 54.54 2bzz s ASP 1119Cb 0.01 -2.48 -0.10 0.00 1.01 0.00 0.00 42.92 41.35 2bzz s ASP 1119CO 0.06 -0.02 1.38 -2.16 0.21 0.00 0.00 175.17 174.65 2bzz s PRO 1120N -2.05 4.26 0.37 8.23 0.04 -1.26 -4.85 135.00 139.74 2bzz s PRO 1120Ca 0.46 2.34 0.26 0.00 0.04 0.00 0.00 61.00 64.11 2bzz s PRO 1120Cb -0.17 -3.04 1.30 0.00 0.04 0.00 0.00 34.50 32.63 2bzz s PRO 1120CO 0.22 -0.33 1.80 -1.00 0.04 0.00 0.00 177.00 177.73 2bzz h PRO 1121N 3.48 0.00 -0.98 0.56 0.13 -1.95 -2.99 132.00 130.25 2bzz h PRO 1121Ca -0.49 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 64.93 2bzz h PRO 1121Cb 1.23 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 2bzz h PRO 1121CO 0.67 0.00 0.51 0.37 -0.23 0.00 0.00 178.00 179.32 2bzz h GLN 1122N 0.00 0.33 -4.26 0.86 4.15 -2.04 -3.33 115.11 110.83 2bzz h GLN 1122Ca 0.00 -0.02 -0.65 0.00 0.77 0.00 0.00 58.65 58.75 2bzz h GLN 1122Cb 0.16 -0.07 -0.40 0.00 0.21 0.00 0.00 27.48 27.37 2bzz h GLN 1122CO 0.00 0.22 -0.70 0.71 -1.93 0.00 0.00 178.83 177.13 2bzz s TYR 1123N -5.73 3.47 0.44 3.99 2.02 -1.13 -4.97 117.35 115.45 2bzz s TYR 1123Ca -0.10 -2.98 0.14 0.00 -0.37 0.00 0.00 57.07 53.76 2bzz s TYR 1123Cb 0.29 -2.82 0.96 0.00 -0.40 0.00 0.00 41.96 40.00 2bzz s TYR 1123CO 0.79 -0.89 1.98 -1.00 -1.57 0.00 0.00 175.55 174.86 2bzz h PRO 1124N 7.32 0.03 -5.35 -1.71 0.13 -1.83 -3.42 132.00 127.17 2bzz h PRO 1124Ca -0.05 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.40 2bzz h PRO 1124Cb 0.98 -0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.78 2bzz h PRO 1124CO 0.56 0.21 -0.88 0.08 -0.23 0.00 0.00 178.00 177.75 2bzz s VAL 1125N -4.64 2.01 0.04 1.56 1.01 -1.26 -0.77 120.40 118.35 2bzz s VAL 1125Ca -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2bzz s VAL 1125Cb 0.16 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2bzz s VAL 1125CO 0.70 0.55 -0.06 0.68 0.00 0.00 0.00 175.10 176.98 2bzz s VAL 1126N 0.31 0.38 0.29 2.92 -7.23 -0.30 -4.91 120.40 111.86 2bzz s VAL 1126Ca -0.17 -1.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 2bzz s VAL 1126Cb -0.18 -0.63 -0.10 0.00 0.56 0.00 0.00 36.38 36.04 2bzz s VAL 1126CO 0.08 -0.50 1.12 -2.16 -0.31 0.00 0.00 175.10 173.33 2bzz s PRO 1127N -1.86 4.59 0.00 4.82 0.04 -1.26 -1.30 135.00 140.03 2bzz s PRO 1127Ca -0.09 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2bzz s PRO 1127Cb -0.08 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2bzz s PRO 1127CO -0.01 0.16 0.00 1.33 0.04 0.00 0.00 177.00 178.51 2bzz n VAL 1128N 1.11 0.00 -3.66 -0.36 0.24 -0.09 -4.07 118.33 111.50 2bzz n VAL 1128Ca -0.01 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 2bzz n VAL 1128Cb 0.44 0.62 -0.08 0.00 -1.47 0.00 0.00 33.84 33.35 2bzz n VAL 1128CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2bzz s HIS 1129N -0.89 -0.73 -0.49 6.34 5.65 -1.15 -4.76 115.29 119.26 2bzz s HIS 1129Ca 0.00 1.70 -0.18 0.00 0.25 0.00 0.00 55.06 56.83 2bzz s HIS 1129Cb 0.00 0.30 0.06 0.00 -1.18 0.00 0.00 32.58 31.76 2bzz s HIS 1129CO 0.00 -0.36 0.55 -1.17 -0.65 0.00 0.00 174.74 173.11 2bzz s LEU 1130N 0.63 5.10 0.00 8.88 2.96 -1.26 -1.18 118.68 133.81 2bzz s LEU 1130Ca -0.02 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.77 2bzz s LEU 1130Cb -0.05 -2.38 -0.34 0.00 0.50 0.00 0.00 46.19 43.92 2bzz s LEU 1130CO -0.04 -0.80 0.89 -0.78 -1.32 0.00 0.00 176.35 174.30 2bzz h ASP 1131N 8.91 0.76 -4.74 3.68 1.82 -1.19 -3.48 116.42 122.18 2bzz h ASP 1131Ca -0.28 -0.91 -0.04 0.00 -0.39 0.00 0.00 57.03 55.41 2bzz h ASP 1131Cb 1.10 -0.25 -0.20 0.00 0.68 0.00 0.00 39.33 40.66 2bzz h ASP 1131CO 0.93 1.73 0.22 -0.60 -1.61 0.00 0.00 179.24 179.91 2bzz s ARG 1132N -2.59 0.97 -0.01 0.28 3.52 -1.05 -4.61 118.95 115.46 2bzz s ARG 1132Ca -0.11 0.36 0.06 0.00 -0.13 0.00 0.00 55.73 55.90 2bzz s ARG 1132Cb 0.05 0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 33.87 2bzz s ARG 1132CO 0.91 -0.28 -0.18 0.96 -0.81 0.00 0.00 175.30 175.90 2bzz s ILE 1133N -0.94 2.73 0.00 4.11 -4.36 -1.26 -0.97 121.20 120.51 2bzz s ILE 1133Ca -0.08 -0.98 0.00 0.00 -0.26 0.00 0.00 60.65 59.33 2bzz s ILE 1133Cb -0.01 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.63 2bzz s ILE 1133CO 0.08 0.50 0.13 -0.38 0.24 0.00 0.00 174.94 175.50