#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzq s VAL 1002N 0.00 3.53 0.12 5.09 0.11 -1.26 -4.68 120.40 123.30 1bzq s VAL 1002Ca 0.00 -0.47 0.05 0.00 -2.93 0.00 0.00 61.98 58.64 1bzq s VAL 1002Cb 0.00 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 1bzq s VAL 1002CO 0.00 0.47 0.01 -1.10 -3.33 0.00 0.00 175.10 171.15 1bzq s GLN 1003N 0.85 2.55 -0.34 1.54 1.11 -0.77 -4.98 119.66 119.63 1bzq s GLN 1003Ca -0.01 -0.91 -0.01 0.00 0.01 0.00 0.00 55.36 54.44 1bzq s GLN 1003Cb -0.15 -2.51 0.08 0.00 -1.01 0.00 0.00 33.01 29.42 1bzq s GLN 1003CO 0.01 0.51 0.06 -1.17 0.01 0.00 0.00 175.29 174.72 1bzq s LEU 1004N -2.55 4.42 -0.20 2.90 2.96 -1.26 -0.64 118.68 124.31 1bzq s LEU 1004Ca 0.27 -1.67 -0.09 0.00 -0.22 0.00 0.00 54.13 52.42 1bzq s LEU 1004Cb -0.11 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1bzq s LEU 1004CO 0.19 -0.36 0.10 0.68 -1.32 0.00 0.00 176.35 175.64 1bzq s VAL 1005N 1.14 5.04 0.03 1.68 -7.23 -0.09 -4.36 120.40 116.62 1bzq s VAL 1005Ca 0.01 0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.29 1bzq s VAL 1005Cb -0.21 -3.30 -0.03 0.00 0.56 0.00 0.00 36.38 33.40 1bzq s VAL 1005CO -0.04 0.42 -0.10 -1.83 -0.31 0.00 0.00 175.10 173.25 1bzq s GLU 1006N 0.58 2.35 0.18 4.82 -1.05 -1.26 -1.65 118.70 122.67 1bzq s GLU 1006Ca 0.05 -0.85 -0.11 0.00 -0.15 0.00 0.00 54.97 53.92 1bzq s GLU 1006Cb -0.12 -2.38 -0.00 0.00 -0.44 0.00 0.00 34.13 31.18 1bzq s GLU 1006CO 0.01 0.57 0.34 -1.54 0.95 0.00 0.00 175.26 175.58 1bzq s SER 1007N -1.57 -0.02 0.00 0.83 1.04 0.59 -4.95 113.70 109.62 1bzq s SER 1007Ca 0.17 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1bzq s SER 1007Cb -0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1bzq s SER 1007CO 0.08 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1bzq n GLY 1008N -0.25 0.75 3.56 7.32 0.00 -1.26 -0.09 105.19 115.22 1bzq n GLY 1008Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1bzq n GLY 1008CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzq n GLY 1009N -1.00 -1.28 0.00 -0.02 0.00 -1.26 -4.41 105.19 97.22 1bzq n GLY 1009Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1bzq n GLY 1009CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzq n GLY 1010N 0.71 -1.02 3.24 -0.02 0.00 -1.04 -5.01 105.19 102.03 1bzq n GLY 1010Ca 0.07 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 1bzq n GLY 1010CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bzq s LEU 1011N 0.00 2.48 0.26 0.99 2.96 -1.26 -1.04 118.68 123.07 1bzq s LEU 1011Ca 0.00 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1bzq s LEU 1011Cb 0.00 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 1bzq s LEU 1011CO 0.00 0.04 0.09 0.54 -1.32 0.00 0.00 176.35 175.71 1bzq s VAL 1012N 1.07 0.59 0.14 1.68 0.11 0.35 -4.97 120.40 119.38 1bzq s VAL 1012Ca -0.00 -2.00 -0.17 0.00 -2.93 0.00 0.00 61.98 56.88 1bzq s VAL 1012Cb -0.14 -2.65 -0.07 0.00 -1.53 0.00 0.00 36.38 31.99 1bzq s VAL 1012CO -0.04 0.00 0.59 -1.10 -3.33 0.00 0.00 175.10 171.22 1bzq s GLN 1013N -4.02 4.11 -0.08 1.54 -0.21 -1.26 -1.21 119.66 118.52 1bzq s GLN 1013Ca 0.38 0.65 -0.40 0.00 0.02 0.00 0.00 55.36 56.00 1bzq s GLN 1013Cb 0.08 -3.03 -0.19 0.00 1.00 0.00 0.00 33.01 30.87 1bzq s GLN 1013CO 0.14 0.52 1.29 0.00 -2.12 0.00 0.00 175.29 175.12 1bzq n ALA 1014N 1.10 -2.25 -0.15 6.09 0.00 0.24 -0.59 120.51 124.96 1bzq n ALA 1014Ca -0.06 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1bzq n ALA 1014Cb 0.51 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1bzq n ALA 1014CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bzq n GLY 1015N 2.43 0.70 1.87 0.00 0.00 0.29 -4.90 105.19 105.57 1bzq n GLY 1015Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1bzq n GLY 1015CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzq n GLY 1016N -2.00 0.33 3.31 -0.02 0.00 0.24 -4.01 105.19 103.04 1bzq n GLY 1016Ca 0.00 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 1bzq n GLY 1016CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bzq s SER 1017N -3.03 2.50 0.05 1.61 0.01 -1.26 -1.34 113.70 112.23 1bzq s SER 1017Ca 0.33 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.71 1bzq s SER 1017Cb -0.02 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 1bzq s SER 1017CO 0.22 -0.07 -0.01 -0.76 0.41 0.00 0.00 173.24 173.02 1bzq s LEU 1018N -2.65 2.40 -0.11 2.44 1.43 -0.46 -5.01 118.68 116.71 1bzq s LEU 1018Ca 0.14 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1bzq s LEU 1018Cb -0.05 0.26 0.03 0.00 0.03 0.00 0.00 46.19 46.46 1bzq s LEU 1018CO 0.06 -0.60 -0.05 -0.60 0.23 0.00 0.00 176.35 175.39 1bzq s ARG 1019N -3.82 1.29 -0.06 1.70 3.52 -1.26 -0.42 118.95 119.90 1bzq s ARG 1019Ca 0.06 -0.22 -0.10 0.00 -0.13 0.00 0.00 55.73 55.34 1bzq s ARG 1019Cb 0.07 -1.54 -0.05 0.00 -1.56 0.00 0.00 34.95 31.88 1bzq s ARG 1019CO -0.10 -0.31 0.25 -0.51 -0.81 0.00 0.00 175.30 173.82 1bzq s LEU 1020N 1.76 4.42 0.01 -0.88 1.43 0.19 -4.35 118.68 121.25 1bzq s LEU 1020Ca 0.04 0.66 0.07 0.00 -1.03 0.00 0.00 54.13 53.87 1bzq s LEU 1020Cb -0.13 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 1bzq s LEU 1020CO -0.08 0.36 -0.20 -0.44 0.23 0.00 0.00 176.35 176.22 1bzq s SER 1021N -1.12 2.42 -0.13 2.29 0.01 0.87 -0.75 113.70 117.30 1bzq s SER 1021Ca 0.19 -0.43 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 1bzq s SER 1021Cb -0.14 -0.24 0.05 0.00 0.21 0.00 0.00 66.02 65.90 1bzq s SER 1021CO 0.09 0.21 0.33 0.00 0.41 0.00 0.00 173.24 174.28 1bzq s ALA 1023N 0.92 0.75 -0.17 0.00 0.00 -0.66 -0.53 121.76 122.07 1bzq s ALA 1023Ca -0.06 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 1bzq s ALA 1023Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1bzq s ALA 1023CO -0.07 0.10 0.37 0.00 0.00 0.00 0.00 175.76 176.16 1bzq s ALA 1024N -0.86 3.55 -0.07 0.00 0.00 0.90 -0.92 121.76 124.37 1bzq s ALA 1024Ca -0.03 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1bzq s ALA 1024Cb -0.07 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1bzq s ALA 1024CO 0.01 -0.10 -0.11 -1.54 0.00 0.00 0.00 175.76 174.02 1bzq s SER 1025N 0.76 4.30 0.00 0.00 1.04 0.19 -4.66 113.70 115.33 1bzq s SER 1025Ca 0.19 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1bzq s SER 1025Cb -0.14 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 64.86 1bzq s SER 1025CO 0.07 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1bzq n GLY 1026N 2.50 0.74 3.66 7.32 0.00 -1.26 -1.84 105.19 116.31 1bzq n GLY 1026Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1bzq n GLY 1026CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bzq s TYR 1027N -2.69 3.34 0.38 1.61 5.04 -1.26 -4.73 117.35 119.03 1bzq s TYR 1027Ca 0.00 0.46 0.12 0.00 -2.44 0.00 0.00 57.07 55.21 1bzq s TYR 1027Cb 0.00 -2.44 0.75 0.00 0.35 0.00 0.00 41.96 40.62 1bzq s TYR 1027CO 0.00 -0.01 1.86 0.00 -1.34 0.00 0.00 175.55 176.06 1bzq h ALA 1028N 7.51 1.43 -3.82 3.97 0.00 -1.99 -3.46 119.26 122.91 1bzq h ALA 1028Ca -0.36 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1bzq h ALA 1028Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bzq h ALA 1028CO 0.69 0.42 0.00 0.66 0.00 0.00 0.00 179.25 181.02 1bzq n TYR 1029N -4.15 -0.93 -4.09 0.00 4.01 -1.26 -5.12 117.16 105.61 1bzq n TYR 1029Ca -0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.37 1bzq n TYR 1029Cb 0.37 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.27 1bzq n TYR 1029CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1bzq s THR 1030N 0.06 3.68 0.03 -0.72 -4.23 -1.26 -4.87 115.64 108.34 1bzq s THR 1030Ca 0.00 -0.40 -0.30 0.00 -1.18 0.00 0.00 61.69 59.80 1bzq s THR 1030Cb 0.00 -2.66 -0.08 0.00 1.34 0.00 0.00 72.50 71.10 1bzq s THR 1030CO 0.00 0.44 1.74 -0.31 -0.54 0.00 0.00 174.62 175.94 1bzq s TYR 1031N 1.09 2.02 0.10 3.99 2.02 -1.26 -4.91 117.35 120.39 1bzq s TYR 1031Ca 0.02 0.08 -0.33 0.00 -0.37 0.00 0.00 57.07 56.47 1bzq s TYR 1031Cb -0.15 -4.03 -0.14 0.00 -0.40 0.00 0.00 41.96 37.25 1bzq s TYR 1031CO 0.01 -4.32 1.58 0.82 -1.57 0.00 0.00 175.55 172.07 1bzq h ILE 1032N 5.20 0.12 -3.31 2.71 5.03 -1.94 -3.41 117.51 121.92 1bzq h ILE 1032Ca -0.43 0.00 -0.65 0.00 -0.12 0.00 0.00 64.86 63.65 1bzq h ILE 1032Cb 1.20 0.12 -0.17 0.00 -3.03 0.00 0.00 36.82 34.94 1bzq h ILE 1032CO 0.94 0.00 -0.63 -0.31 -0.68 0.00 0.00 178.15 177.47 1bzq s TYR 1033N -5.91 3.13 0.01 1.37 2.02 -1.26 0.00 117.35 116.70 1bzq s TYR 1033Ca -0.17 0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.58 1bzq s TYR 1033Cb 0.06 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1bzq s TYR 1033CO 0.62 0.24 -0.13 -1.64 -1.57 0.00 0.00 175.55 173.07 1bzq s MET 1034N -0.22 0.97 0.37 -0.62 -1.94 -0.88 -1.14 119.30 115.84 1bzq s MET 1034Ca 0.05 -0.53 -0.12 0.00 -1.71 0.00 0.00 55.69 53.38 1bzq s MET 1034Cb -0.12 -0.94 0.05 0.00 2.01 0.00 0.00 34.83 35.82 1bzq s MET 1034CO 0.02 0.25 0.70 0.41 -0.01 0.00 0.00 175.02 176.39 1bzq n GLY 1035N 2.50 1.25 3.22 -0.03 0.00 -0.32 -1.45 105.19 110.37 1bzq n GLY 1035Ca -0.15 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 1bzq n GLY 1035CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bzq s TRP 1036N -2.58 2.02 0.25 1.61 0.52 0.21 -1.32 118.94 119.64 1bzq s TRP 1036Ca 0.18 -0.49 0.09 0.00 0.02 0.00 0.00 56.10 55.90 1bzq s TRP 1036Cb -0.04 -1.32 -0.05 0.00 -1.15 0.00 0.00 33.47 30.91 1bzq s TRP 1036CO 0.13 -0.11 -0.16 -0.06 0.02 0.00 0.00 176.95 176.77 1bzq s PHE 1037N -0.28 2.01 0.03 -1.98 0.40 -0.25 -0.33 117.98 117.57 1bzq s PHE 1037Ca 0.02 -0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 55.76 1bzq s PHE 1037Cb -0.11 -0.94 0.01 0.00 0.51 0.00 0.00 43.02 42.50 1bzq s PHE 1037CO 0.01 0.51 0.24 -0.98 0.70 0.00 0.00 175.22 175.70 1bzq s ARG 1038N -3.60 0.70 -0.19 0.44 1.70 0.13 -0.61 118.95 117.52 1bzq s ARG 1038Ca 0.27 -0.49 -0.03 0.00 -0.47 0.00 0.00 55.73 55.00 1bzq s ARG 1038Cb -0.02 0.30 0.06 0.00 -0.57 0.00 0.00 34.95 34.72 1bzq s ARG 1038CO 0.11 -0.20 0.05 -1.14 -1.08 0.00 0.00 175.30 173.04 1bzq s GLN 1039N -2.20 0.50 0.52 3.89 0.74 -0.53 -0.25 119.66 122.32 1bzq s GLN 1039Ca -0.08 -0.35 -0.19 0.00 0.05 0.00 0.00 55.36 54.79 1bzq s GLN 1039Cb -0.02 -2.03 -0.07 0.00 1.10 0.00 0.00 33.01 31.98 1bzq s GLN 1039CO -0.02 -0.66 1.04 0.00 -0.55 0.00 0.00 175.29 175.10 1bzq s ALA 1040N 1.93 2.85 -0.07 1.58 0.00 -1.26 -2.45 121.76 124.34 1bzq s ALA 1040Ca 0.00 0.52 -0.34 0.00 0.00 0.00 0.00 51.96 52.14 1bzq s ALA 1040Cb -0.17 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 1bzq s ALA 1040CO -0.09 -0.44 1.86 -0.35 0.00 0.00 0.00 175.76 176.75 1bzq n PRO 1041N -1.30 2.20 0.00 0.00 -0.04 -1.26 -2.01 135.00 132.58 1bzq n PRO 1041Ca 0.09 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1bzq n PRO 1041Cb 0.53 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1bzq n PRO 1041CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bzq n GLY 1042N 4.35 2.42 3.21 0.55 0.00 -1.26 -5.01 105.19 109.44 1bzq n GLY 1042Ca 0.22 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1bzq n GLY 1042CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bzq n LYS 1043N 0.00 -4.69 -3.63 1.61 5.02 -0.85 -5.02 118.16 110.59 1bzq n LYS 1043Ca 0.00 -1.39 -0.35 0.00 -2.02 0.00 0.00 58.31 54.55 1bzq n LYS 1043Cb 0.00 -1.90 -0.05 0.00 -0.02 0.00 0.00 35.03 33.06 1bzq n LYS 1043CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1bzq s GLU 1044N -4.95 3.70 0.26 1.97 -1.05 -1.26 -4.71 118.70 112.66 1bzq s GLU 1044Ca 0.65 0.09 -0.31 0.00 -0.15 0.00 0.00 54.97 55.26 1bzq s GLU 1044Cb -0.12 -3.02 -0.13 0.00 -0.44 0.00 0.00 34.13 30.42 1bzq s GLU 1044CO 0.55 0.59 1.42 -2.13 0.95 0.00 0.00 175.26 176.64 1bzq n ARG 1045N 0.96 2.15 -4.10 -4.83 0.63 -1.26 -4.63 116.66 105.58 1bzq n ARG 1045Ca -0.09 0.76 -0.14 0.00 -0.92 0.00 0.00 57.85 57.46 1bzq n ARG 1045Cb 0.52 -2.43 -0.11 0.00 0.45 0.00 0.00 32.46 30.89 1bzq n ARG 1045CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1bzq s GLU 1046N -0.62 0.62 0.23 -0.14 -1.05 0.65 -4.93 118.70 113.45 1bzq s GLU 1046Ca 0.66 -0.84 -0.30 0.00 -0.15 0.00 0.00 54.97 54.34 1bzq s GLU 1046Cb -0.61 -0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 32.56 1bzq s GLU 1046CO 0.51 0.08 0.99 0.20 0.95 0.00 0.00 175.26 177.99 1bzq s GLY 1047N -1.70 3.08 -0.14 -3.83 0.00 -1.26 0.22 107.32 103.69 1bzq s GLY 1047Ca -0.07 0.69 -0.08 0.00 0.00 0.00 0.00 44.72 45.26 1bzq s GLY 1047CO 0.01 1.32 -0.20 -0.62 0.00 0.00 0.00 173.10 173.61 1bzq n VAL 1048N 1.62 0.98 -3.52 1.40 0.31 0.55 -4.47 118.33 115.20 1bzq n VAL 1048Ca -0.01 -0.12 -0.11 0.00 -0.01 0.00 0.00 64.34 64.08 1bzq n VAL 1048Cb 0.47 -1.78 -0.04 0.00 -0.91 0.00 0.00 33.84 31.58 1bzq n VAL 1048CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bzq s ALA 1049N -2.34 -1.82 0.01 3.52 0.00 -1.04 -1.34 121.76 118.75 1bzq s ALA 1049Ca -0.21 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.79 1bzq s ALA 1049Cb 0.07 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1bzq s ALA 1049CO 0.27 -0.50 0.37 0.00 0.00 0.00 0.00 175.76 175.89 1bzq s ALA 1050N -2.12 -0.90 -0.04 0.00 0.00 -0.93 0.64 121.76 118.41 1bzq s ALA 1050Ca -0.01 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 1bzq s ALA 1050Cb -0.01 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1bzq s ALA 1050CO -0.02 -0.35 0.40 1.41 0.00 0.00 0.00 175.76 177.20 1bzq s MET 1051N -1.88 0.73 0.81 0.00 0.00 -0.53 -1.96 119.30 116.48 1bzq s MET 1051Ca -0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 55.69 55.53 1bzq s MET 1051Cb -0.03 0.33 0.16 0.00 0.00 0.00 0.00 34.83 35.29 1bzq s MET 1051CO 0.01 -0.20 1.11 0.16 0.00 0.00 0.00 175.02 176.11 1bzq s ASP 1052N -1.13 3.87 0.44 1.11 1.47 -1.26 -2.06 116.67 119.11 1bzq s ASP 1052Ca -0.12 -0.19 0.24 0.00 1.18 0.00 0.00 52.55 53.66 1bzq s ASP 1052Cb -0.04 -0.05 0.91 0.00 -0.34 0.00 0.00 42.92 43.41 1bzq s ASP 1052CO 0.05 -2.20 1.83 0.77 0.68 0.00 0.00 175.17 176.30 1bzq h SER 1053N -0.93 0.00 -1.84 2.11 4.64 -0.65 -3.41 113.55 113.47 1bzq h SER 1053Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1bzq h SER 1053Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1bzq h SER 1053CO 0.38 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 1bzq n GLY 1054N 0.13 0.06 0.09 -0.77 0.00 -1.26 -2.26 105.19 101.18 1bzq n GLY 1054Ca 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.19 1bzq n GLY 1054CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzq n GLY 1055N 5.00 -2.32 0.00 -0.02 0.00 -1.26 -4.81 105.19 101.78 1bzq n GLY 1055Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1bzq n GLY 1055CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzq n GLY 1056N -1.06 2.58 2.64 -0.02 0.00 -1.26 -4.74 105.19 103.33 1bzq n GLY 1056Ca 0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 1bzq n GLY 1056CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzq n GLY 1057N -0.72 4.83 3.71 -0.02 0.00 -1.26 -4.85 105.19 106.88 1bzq n GLY 1057Ca 0.00 -2.39 -0.39 0.00 0.00 0.00 0.00 46.02 43.24 1bzq n GLY 1057CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bzq n THR 1058N -0.19 3.37 -3.73 2.61 -1.04 -1.26 -4.51 114.28 109.54 1bzq n THR 1058Ca 0.29 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.67 1bzq n THR 1058Cb 0.57 -1.54 -0.10 0.00 -1.82 0.00 0.00 70.33 67.44 1bzq n THR 1058CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1bzq s LEU 1059N -2.58 0.38 0.03 -4.42 2.96 -0.83 -5.00 118.68 109.23 1bzq s LEU 1059Ca 0.69 0.85 0.03 0.00 -0.22 0.00 0.00 54.13 55.47 1bzq s LEU 1059Cb -0.45 1.43 -0.02 0.00 0.50 0.00 0.00 46.19 47.66 1bzq s LEU 1059CO 0.52 -0.15 -0.09 -0.31 -1.32 0.00 0.00 176.35 175.00 1bzq s TYR 1060N 0.27 0.78 0.68 5.38 2.02 -1.26 -2.19 117.35 123.03 1bzq s TYR 1060Ca -0.00 -0.33 -0.15 0.00 -0.37 0.00 0.00 57.07 56.22 1bzq s TYR 1060Cb -0.03 -0.47 0.01 0.00 -0.40 0.00 0.00 41.96 41.07 1bzq s TYR 1060CO 0.00 -0.03 1.13 0.00 -1.57 0.00 0.00 175.55 175.09 1bzq s ALA 1061N -0.84 2.37 0.42 3.71 0.00 -0.45 -4.91 121.76 122.07 1bzq s ALA 1061Ca -0.03 0.62 0.10 0.00 0.00 0.00 0.00 51.96 52.66 1bzq s ALA 1061Cb -0.07 -3.35 0.91 0.00 0.00 0.00 0.00 23.12 20.60 1bzq s ALA 1061CO 0.00 -1.44 2.00 -0.44 0.00 0.00 0.00 175.76 175.89 1bzq h ASP 1062N -0.07 0.23 0.97 0.00 3.32 -1.93 -2.71 116.42 116.23 1bzq h ASP 1062Ca -0.47 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1bzq h ASP 1062Cb 1.26 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1bzq h ASP 1062CO 0.53 0.29 0.00 0.77 -1.72 0.00 0.00 179.24 179.11 1bzq h SER 1063N 0.26 0.00 -0.00 6.45 4.64 -1.97 -3.30 113.55 119.62 1bzq h SER 1063Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1bzq h SER 1063Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1bzq h SER 1063CO 0.00 0.00 -0.13 1.33 -0.87 0.00 0.00 176.83 177.16 1bzq n VAL 1064N -2.84 0.00 -1.66 0.95 0.24 -1.04 -4.98 118.33 109.00 1bzq n VAL 1064Ca 0.01 -0.43 -0.46 0.00 -2.04 0.00 0.00 64.34 61.42 1bzq n VAL 1064Cb 0.29 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.66 1bzq n VAL 1064CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1bzq n LYS 1065N -0.59 2.02 0.00 7.34 5.02 -1.13 -1.15 118.16 129.67 1bzq n LYS 1065Ca 0.02 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1bzq n LYS 1065Cb 0.09 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 1bzq n LYS 1065CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bzq n GLY 1066N 2.95 2.33 0.03 0.72 0.00 -1.26 -4.78 105.19 105.18 1bzq n GLY 1066Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1bzq n GLY 1066CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bzq n ARG 1067N -2.00 1.55 -4.45 1.61 1.74 -0.30 -5.02 116.66 109.79 1bzq n ARG 1067Ca 0.00 0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 1bzq n ARG 1067Cb 0.00 -1.14 -0.10 0.00 -1.02 0.00 0.00 32.46 30.20 1bzq n ARG 1067CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bzq s PHE 1068N -2.14 3.07 -0.07 -1.55 0.40 -0.78 -1.42 117.98 115.49 1bzq s PHE 1068Ca -0.06 0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1bzq s PHE 1068Cb 0.02 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.81 1bzq s PHE 1068CO 0.19 0.42 -0.20 0.99 0.70 0.00 0.00 175.22 177.33 1bzq s THR 1069N -0.89 1.68 0.11 0.64 2.01 0.90 -4.85 115.64 115.25 1bzq s THR 1069Ca 0.14 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1bzq s THR 1069Cb -0.11 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1bzq s THR 1069CO 0.03 0.48 0.19 -0.51 -0.69 0.00 0.00 174.62 174.12 1bzq s ILE 1070N 0.27 5.03 -0.08 1.82 2.07 -1.26 -0.08 121.20 128.96 1bzq s ILE 1070Ca -0.12 -0.69 -0.27 0.00 -1.41 0.00 0.00 60.65 58.16 1bzq s ILE 1070Cb -0.15 -3.51 0.06 0.00 0.13 0.00 0.00 42.46 38.99 1bzq s ILE 1070CO 0.05 0.02 0.63 -0.94 -1.91 0.00 0.00 174.94 172.79 1bzq s SER 1071N -2.83 -0.60 0.01 4.50 1.04 -0.70 -4.98 113.70 110.14 1bzq s SER 1071Ca 0.33 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.54 1bzq s SER 1071Cb -0.12 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1bzq s SER 1071CO 0.26 -0.51 -0.09 -0.13 0.98 0.00 0.00 173.24 173.75 1bzq s ARG 1072N -0.90 0.66 -0.17 4.02 0.52 -1.26 -0.03 118.95 121.79 1bzq s ARG 1072Ca -0.09 -0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 54.38 1bzq s ARG 1072Cb -0.02 -0.61 -0.04 0.00 0.52 0.00 0.00 34.95 34.80 1bzq s ARG 1072CO 0.07 0.16 1.74 -0.51 0.02 0.00 0.00 175.30 176.79 1bzq s ASP 1073N -0.59 6.30 -0.14 0.23 1.01 -1.25 -4.89 116.67 117.34 1bzq s ASP 1073Ca 0.01 1.87 -0.41 0.00 0.71 0.00 0.00 52.55 54.72 1bzq s ASP 1073Cb -0.05 -2.53 -0.19 0.00 1.01 0.00 0.00 42.92 41.16 1bzq s ASP 1073CO 0.00 -1.28 1.34 1.17 0.21 0.00 0.00 175.17 176.61 1bzq n LYS 1074N 7.72 0.39 -1.05 8.23 3.00 -1.26 -0.84 118.16 134.36 1bzq n LYS 1074Ca 0.20 0.14 -0.02 0.00 -0.00 0.00 0.00 58.31 58.64 1bzq n LYS 1074Cb 0.44 -1.70 -0.01 0.00 0.00 0.00 0.00 35.03 33.77 1bzq n LYS 1074CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bzq n GLY 1075N 2.66 0.40 3.47 3.14 0.00 -0.96 -5.02 105.19 108.88 1bzq n GLY 1075Ca 0.23 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1bzq n GLY 1075CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bzq s LYS 1076N -1.28 1.66 -1.28 1.61 2.36 -0.02 -4.88 119.74 117.91 1bzq s LYS 1076Ca 0.00 -1.78 -0.06 0.00 -2.55 0.00 0.00 55.97 51.58 1bzq s LYS 1076Cb 0.00 -1.66 0.10 0.00 -1.05 0.00 0.00 37.83 35.22 1bzq s LYS 1076CO 0.00 0.27 2.47 0.09 1.55 0.00 0.00 175.35 179.72 1bzq n ASN 1077N -0.62 8.00 -4.04 1.43 3.02 -1.26 -4.66 115.26 117.13 1bzq n ASN 1077Ca -0.05 -3.10 -0.17 0.00 -0.03 0.00 0.00 54.58 51.23 1bzq n ASN 1077Cb 0.61 -1.37 -0.14 0.00 -0.61 0.00 0.00 39.78 38.27 1bzq n ASN 1077CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bzq s THR 1078N -0.95 0.68 -0.01 3.41 -4.23 -1.26 -0.07 115.64 113.22 1bzq s THR 1078Ca 0.56 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 60.48 1bzq s THR 1078Cb 0.20 -0.62 0.01 0.00 1.34 0.00 0.00 72.50 73.43 1bzq s THR 1078CO -0.10 0.03 -0.03 0.68 -0.54 0.00 0.00 174.62 174.67 1bzq s VAL 1079N -0.53 0.27 0.16 2.29 -7.23 0.31 -3.81 120.40 111.86 1bzq s VAL 1079Ca 0.00 -0.08 0.11 0.00 -1.81 0.00 0.00 61.98 60.20 1bzq s VAL 1079Cb -0.05 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.57 1bzq s VAL 1079CO 0.00 0.11 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.34 1bzq s TYR 1080N 0.30 2.28 -0.30 2.82 2.02 0.95 -0.79 117.35 124.63 1bzq s TYR 1080Ca -0.03 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 1bzq s TYR 1080Cb -0.06 -1.17 0.10 0.00 -0.40 0.00 0.00 41.96 40.43 1bzq s TYR 1080CO -0.01 0.42 0.13 -1.17 -1.57 0.00 0.00 175.55 173.36 1bzq s LEU 1081N -2.41 1.01 -0.15 -1.29 2.96 0.07 -1.73 118.68 117.15 1bzq s LEU 1081Ca 0.18 -1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 52.31 1bzq s LEU 1081Cb -0.09 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 1bzq s LEU 1081CO 0.08 -0.42 1.17 -1.58 -1.32 0.00 0.00 176.35 174.28 1bzq s GLN 1082N 1.86 4.29 -0.42 1.98 0.74 0.88 -0.64 119.66 128.35 1bzq s GLN 1082Ca 0.10 1.56 -0.02 0.00 0.05 0.00 0.00 55.36 57.05 1bzq s GLN 1082Cb -0.17 -3.66 0.11 0.00 1.10 0.00 0.00 33.01 30.39 1bzq s GLN 1082CO -0.30 -0.59 0.20 -1.64 -0.55 0.00 0.00 175.29 172.42 1bzq s MET 1083N 2.97 1.97 0.10 1.67 -1.94 0.44 -0.07 119.30 124.44 1bzq s MET 1083Ca 0.52 -1.89 0.02 0.00 -1.71 0.00 0.00 55.69 52.62 1bzq s MET 1083Cb -0.20 -3.54 -0.04 0.00 2.01 0.00 0.00 34.83 33.06 1bzq s MET 1083CO 0.15 -1.06 0.19 -0.51 -0.01 0.00 0.00 175.02 173.77 1bzq s ASP 1084N 1.59 6.04 -1.21 3.03 1.01 -0.51 -1.35 116.67 125.27 1bzq s ASP 1084Ca 0.09 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.47 1bzq s ASP 1084Cb -0.22 -1.77 -0.01 0.00 1.01 0.00 0.00 42.92 41.94 1bzq s ASP 1084CO -0.05 0.13 0.91 -1.20 0.21 0.00 0.00 175.17 175.17 1bzq n SER 1085N 0.05 -2.30 -4.75 0.27 7.64 -1.11 -4.57 113.62 108.84 1bzq n SER 1085Ca -0.07 -0.69 -0.36 0.00 1.01 0.00 0.00 58.87 58.76 1bzq n SER 1085Cb 0.52 -4.82 0.03 0.00 -1.01 0.00 0.00 64.21 58.94 1bzq n SER 1085CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1bzq s LEU 1086N -6.35 3.71 0.08 -3.43 1.43 -0.45 -4.66 118.68 109.01 1bzq s LEU 1086Ca 0.05 2.43 0.02 0.00 -1.03 0.00 0.00 54.13 55.61 1bzq s LEU 1086Cb -0.01 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1bzq s LEU 1086CO 0.76 -1.56 -0.07 -1.59 0.23 0.00 0.00 176.35 174.12 1bzq s LYS 1087N -3.24 0.76 0.33 1.70 -2.85 -1.26 0.10 119.74 115.29 1bzq s LYS 1087Ca 0.76 -1.17 0.10 0.00 -1.00 0.00 0.00 55.97 54.66 1bzq s LYS 1087Cb -0.32 -0.27 0.99 0.00 -2.06 0.00 0.00 37.83 36.17 1bzq s LYS 1087CO 0.35 0.01 1.59 -1.35 0.10 0.00 0.00 175.35 176.05 1bzq h PRO 1088N 3.43 0.04 -0.60 1.78 0.11 -1.89 0.36 132.00 135.22 1bzq h PRO 1088Ca -0.36 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.93 1bzq h PRO 1088Cb 1.18 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1bzq h PRO 1088CO 0.57 0.03 0.47 0.93 -0.21 0.00 0.00 178.00 179.79 1bzq h GLU 1089N 0.04 0.00 0.00 1.05 3.07 -1.96 -1.10 114.58 115.67 1bzq h GLU 1089Ca 0.69 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 1bzq h GLU 1089Cb 1.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 1bzq h GLU 1089CO -0.82 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.54 1bzq n ASP 1090N -4.17 0.00 -4.66 1.42 8.00 0.13 -4.85 116.55 112.41 1bzq n ASP 1090Ca 0.12 0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 1bzq n ASP 1090Cb 0.71 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1bzq n ASP 1090CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bzq s THR 1091N -2.73 3.15 0.00 -3.53 2.01 -0.42 -4.88 115.64 109.23 1bzq s THR 1091Ca 0.22 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1bzq s THR 1091Cb 0.19 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1bzq s THR 1091CO 0.46 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.36 1bzq n ALA 1092N 7.77 0.00 -2.63 7.40 0.00 -0.41 -4.67 120.51 127.97 1bzq n ALA 1092Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 1bzq n ALA 1092Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 1bzq n ALA 1092CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1bzq s THR 1093N -2.00 5.26 -0.01 0.00 -1.32 -1.02 -1.69 115.64 114.84 1bzq s THR 1093Ca 0.00 0.40 -0.16 0.00 -1.21 0.00 0.00 61.69 60.73 1bzq s THR 1093Cb 0.00 -3.62 -0.06 0.00 -1.51 0.00 0.00 72.50 67.32 1bzq s THR 1093CO 0.00 0.24 0.43 -0.31 -2.21 0.00 0.00 174.62 172.77 1bzq s TYR 1094N 1.62 3.70 -0.06 9.09 1.51 0.73 -1.45 117.35 132.49 1bzq s TYR 1094Ca 0.12 1.00 0.05 0.00 -1.01 0.00 0.00 57.07 57.23 1bzq s TYR 1094Cb -0.15 -2.35 -0.01 0.00 -0.11 0.00 0.00 41.96 39.35 1bzq s TYR 1094CO 0.09 0.56 -0.22 0.71 -1.11 0.00 0.00 175.55 175.57 1bzq s TYR 1095N -0.80 2.26 0.11 2.71 1.51 0.21 -1.12 117.35 122.23 1bzq s TYR 1095Ca 0.24 -0.73 -0.14 0.00 -1.01 0.00 0.00 57.07 55.43 1bzq s TYR 1095Cb -0.17 -1.50 -0.07 0.00 -0.11 0.00 0.00 41.96 40.12 1bzq s TYR 1095CO 0.13 -0.25 0.52 0.00 -1.11 0.00 0.00 175.55 174.84 1bzq s ALA 1097N -1.38 0.02 0.04 0.00 0.00 -0.43 0.19 121.76 120.19 1bzq s ALA 1097Ca 0.35 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 1bzq s ALA 1097Cb -0.15 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1bzq s ALA 1097CO 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 175.76 175.76 1bzq s ALA 1098N -1.22 0.43 0.00 0.00 0.00 -0.62 -1.17 121.76 119.18 1bzq s ALA 1098Ca -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1bzq s ALA 1098Cb -0.08 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1bzq s ALA 1098CO -0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1bzq n GLY 1099N 0.67 0.52 0.00 0.00 0.00 -0.29 -3.11 105.19 102.98 1bzq n GLY 1099Ca -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1bzq n GLY 1099CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzq n GLY 1100N -2.86 2.71 2.91 -0.02 0.00 -1.24 -4.65 105.19 102.05 1bzq n GLY 1100Ca 0.00 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 1bzq n GLY 1100CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bzq s TYR 1101N 2.41 0.88 0.00 1.61 5.04 -1.26 -4.32 117.35 121.71 1bzq s TYR 1101Ca 0.00 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 1bzq s TYR 1101Cb 0.00 -0.74 0.00 0.00 0.35 0.00 0.00 41.96 41.57 1bzq s TYR 1101CO 0.00 -0.21 0.00 0.39 -1.34 0.00 0.00 175.55 174.39 1bzq n GLU 1102N 4.03 0.00 -0.49 4.97 1.02 -1.26 -0.98 120.64 127.93 1bzq n GLU 1102Ca -0.24 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 56.95 1bzq n GLU 1102Cb 0.51 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 32.14 1bzq n GLU 1102CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1bzq n LEU 1103N 0.00 3.54 -4.55 -4.62 4.77 -1.26 -4.80 117.00 110.07 1bzq n LEU 1103Ca 0.00 -3.34 -0.39 0.00 -0.03 0.00 0.00 56.01 52.24 1bzq n LEU 1103Cb 0.00 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 1bzq n LEU 1103CO 0.00 0.92 1.35 -0.13 -1.33 0.00 0.00 177.39 178.20 1bzq s ARG 1104N -3.01 3.19 0.21 3.23 0.52 -0.15 -4.73 118.95 118.20 1bzq s ARG 1104Ca 0.40 -0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 54.99 1bzq s ARG 1104Cb 0.35 -4.68 0.17 0.00 0.52 0.00 0.00 34.95 31.31 1bzq s ARG 1104CO 0.03 -2.37 1.56 0.22 0.02 0.00 0.00 175.30 174.77 1bzq h ASP 1105N 10.72 -1.45 0.01 0.23 3.58 -1.92 -0.25 116.42 127.34 1bzq h ASP 1105Ca -0.08 0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1bzq h ASP 1105Cb 1.05 0.73 0.00 0.00 1.72 0.00 0.00 39.33 42.83 1bzq h ASP 1105CO 1.31 -0.29 0.00 0.03 -2.88 0.00 0.00 179.24 177.41 1bzq h ARG 1106N -0.06 0.00 -0.01 0.28 -0.00 -1.97 -2.54 114.38 110.08 1bzq h ARG 1106Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.77 1bzq h ARG 1106Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.54 1bzq h ARG 1106CO -0.90 0.00 -0.16 0.25 0.00 0.00 0.00 179.97 179.16 1bzq n THR 1107N -2.72 0.00 -3.51 2.04 -2.24 -0.10 -4.83 114.28 102.91 1bzq n THR 1107Ca -0.02 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 1bzq n THR 1107Cb 0.06 0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 1bzq n THR 1107CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1bzq s TYR 1108N -2.46 3.22 -1.55 4.78 1.51 -0.96 -3.62 117.35 118.27 1bzq s TYR 1108Ca 0.27 0.07 0.17 0.00 -1.01 0.00 0.00 57.07 56.57 1bzq s TYR 1108Cb 0.20 -2.48 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1bzq s TYR 1108CO 0.49 -0.26 0.88 0.41 -1.11 0.00 0.00 175.55 175.95 1bzq n GLY 1109N 4.99 -0.02 3.17 0.71 0.00 -1.25 -4.87 105.19 107.93 1bzq n GLY 1109Ca -0.12 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1bzq n GLY 1109CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bzq s GLN 1110N -1.90 2.90 -0.05 1.61 2.00 -1.18 -5.03 119.66 118.00 1bzq s GLN 1110Ca 0.14 -0.92 0.05 0.00 -2.00 0.00 0.00 55.36 52.63 1bzq s GLN 1110Cb 0.13 -2.83 -0.01 0.00 0.80 0.00 0.00 33.01 31.11 1bzq s GLN 1110CO 0.40 -0.32 -0.21 -1.58 -0.50 0.00 0.00 175.29 173.08 1bzq s TRP 1111N 1.31 2.06 1.12 1.67 0.52 -1.26 -1.59 118.94 122.76 1bzq s TRP 1111Ca 0.02 -0.62 -0.16 0.00 0.02 0.00 0.00 56.10 55.35 1bzq s TRP 1111Cb -0.15 -1.37 0.25 0.00 -1.15 0.00 0.00 33.47 31.04 1bzq s TRP 1111CO -0.07 -0.21 1.11 0.20 0.02 0.00 0.00 176.95 178.00 1bzq s GLY 1112N -0.01 1.58 0.05 0.98 0.00 0.13 -4.71 107.32 105.34 1bzq s GLY 1112Ca -0.05 -0.73 0.25 0.00 0.00 0.00 0.00 44.72 44.19 1bzq s GLY 1112CO 0.03 0.05 1.44 -0.18 0.00 0.00 0.00 173.10 174.44 1bzq n GLN 1113N -4.52 0.13 0.00 2.90 -0.06 -1.26 -4.75 117.38 109.82 1bzq n GLN 1113Ca 0.10 0.04 0.00 0.00 -2.00 0.00 0.00 57.00 55.14 1bzq n GLN 1113Cb 0.59 -1.58 0.00 0.00 -4.06 0.00 0.00 30.24 25.18 1bzq n GLN 1113CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bzq n GLY 1114N 1.43 2.35 2.92 1.69 0.00 -1.26 -5.04 105.19 107.28 1bzq n GLY 1114Ca 0.05 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 1bzq n GLY 1114CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bzq s THR 1115N -1.23 0.95 0.22 2.61 2.01 -0.28 -4.94 115.64 114.99 1bzq s THR 1115Ca 0.00 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1bzq s THR 1115Cb 0.00 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.47 1bzq s THR 1115CO 0.00 0.34 1.10 -1.58 -0.69 0.00 0.00 174.62 173.80 1bzq s GLN 1116N 1.40 4.61 -0.20 4.92 0.74 -1.26 -0.20 119.66 129.67 1bzq s GLN 1116Ca -0.01 1.76 -0.02 0.00 0.05 0.00 0.00 55.36 57.14 1bzq s GLN 1116Cb -0.13 -3.24 0.06 0.00 1.10 0.00 0.00 33.01 30.79 1bzq s GLN 1116CO -0.04 0.13 0.00 0.08 -0.55 0.00 0.00 175.29 174.91 1bzq s VAL 1117N -0.62 0.85 -0.09 1.34 1.01 -0.68 -2.50 120.40 119.71 1bzq s VAL 1117Ca 0.47 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1bzq s VAL 1117Cb -0.31 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1bzq s VAL 1117CO 0.37 -0.13 -0.22 0.42 0.00 0.00 0.00 175.10 175.54 1bzq s THR 1118N 1.71 2.28 -0.19 3.92 -4.23 -0.20 -1.29 115.64 117.64 1bzq s THR 1118Ca -0.02 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1bzq s THR 1118Cb -0.17 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1bzq s THR 1118CO -0.07 0.56 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.75 1bzq s VAL 1119N 0.09 2.69 -0.10 2.29 1.01 -1.26 -0.49 120.40 124.63 1bzq s VAL 1119Ca -0.10 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1bzq s VAL 1119Cb -0.16 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1bzq s VAL 1119CO 0.06 0.49 0.24 -0.44 0.00 0.00 0.00 175.10 175.46 1bzq s SER 1120N 1.21 6.51 0.84 3.32 0.01 -0.35 -4.33 113.70 120.90 1bzq s SER 1120Ca 0.02 0.61 -0.15 0.00 1.31 0.00 0.00 55.95 57.73 1bzq s SER 1120Cb -0.14 -2.14 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 1bzq s SER 1120CO -0.06 0.32 0.17 -1.20 0.41 0.00 0.00 173.24 172.88 1bzq n SER 1121N 2.30 -2.66 0.06 2.44 7.64 -1.26 -0.59 113.62 121.55 1bzq n SER 1121Ca -0.17 0.43 -0.10 0.00 1.01 0.00 0.00 58.87 60.04 1bzq n SER 1121Cb 0.53 -1.09 -0.13 0.00 -1.01 0.00 0.00 64.21 62.51 1bzq n SER 1121CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1bzq h ARG 1122N -0.86 0.09 0.00 1.43 -0.00 -1.98 -3.43 114.38 109.64 1bzq h ARG 1122Ca -0.44 -0.16 0.00 0.00 -0.00 0.00 0.00 59.98 59.38 1bzq h ARG 1122Cb 1.33 0.06 0.00 0.00 -0.00 0.00 0.00 29.97 31.36 1bzq h ARG 1122CO 0.36 1.02 0.00 0.41 -0.00 0.00 0.00 179.97 181.76 1bzq n GLY 1123N 1.45 0.25 0.00 0.08 0.00 -1.26 -5.11 105.19 100.60 1bzq n GLY 1123Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1bzq n GLY 1123CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19