#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t62 h LEU 1002N 0.00 1.03 -0.05 4.03 7.12 -1.99 -1.42 115.31 124.03 1t62 h LEU 1002Ca 0.00 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 1t62 h LEU 1002Cb 0.00 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 39.89 1t62 h LEU 1002CO 0.00 0.71 0.02 0.11 -0.13 0.00 0.00 178.44 179.15 1t62 h LYS 1003N 1.20 0.08 -0.40 1.25 1.57 -2.05 -0.96 116.57 117.26 1t62 h LYS 1003Ca 0.38 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.23 1t62 h LYS 1003Cb -0.00 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.22 1t62 h LYS 1003CO -0.12 0.19 -0.10 -0.91 -0.57 0.00 0.00 179.45 177.94 1t62 h ASN 1004N -0.06 -0.38 -0.58 0.86 -0.26 -1.83 -0.12 115.58 113.21 1t62 h ASN 1004Ca 0.02 0.12 -0.11 0.00 -0.56 0.00 0.00 56.30 55.77 1t62 h ASN 1004Cb 0.14 0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 1t62 h ASN 1004CO -0.00 -0.13 -0.05 0.58 -1.06 0.00 0.00 177.43 176.77 1t62 h VAL 1005N -0.00 1.27 -0.45 2.81 2.07 -1.22 0.13 116.25 120.85 1t62 h VAL 1005Ca 0.19 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.53 1t62 h VAL 1005Cb 0.30 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1t62 h VAL 1005CO -0.41 0.43 0.25 -0.08 0.02 0.00 0.00 177.57 177.78 1t62 h GLU 1006N 0.96 0.49 0.95 1.57 4.81 -0.50 -0.63 114.58 122.23 1t62 h GLU 1006Ca 0.16 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1t62 h GLU 1006Cb 0.62 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.89 1t62 h GLU 1006CO 0.04 0.32 -0.46 0.28 -0.73 0.00 0.00 179.01 178.46 1t62 h VAL 1007N 0.50 0.06 -0.88 0.32 2.07 -0.69 -1.24 116.25 116.40 1t62 h VAL 1007Ca 0.19 -0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.92 1t62 h VAL 1007Cb 0.05 0.06 -0.16 0.00 -1.52 0.00 0.00 31.29 29.72 1t62 h VAL 1007CO -0.10 0.00 -0.03 0.15 0.02 0.00 0.00 177.57 177.61 1t62 h PHE 1008N -1.28 -0.13 0.05 1.57 3.57 -0.50 0.38 116.94 120.60 1t62 h PHE 1008Ca -0.13 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1t62 h PHE 1008Cb 0.98 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1t62 h PHE 1008CO -0.00 -0.34 -0.02 2.35 -2.23 0.00 0.00 178.31 178.06 1t62 h TRP 1009N 0.05 -0.06 -0.32 0.41 -0.00 -1.02 -2.21 115.95 112.81 1t62 h TRP 1009Ca 0.49 -0.00 0.06 0.00 -0.00 0.00 0.00 58.89 59.44 1t62 h TRP 1009Cb 0.91 0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 30.04 1t62 h TRP 1009CO -0.51 0.26 -0.06 0.37 -0.00 0.00 0.00 178.44 178.51 1t62 h GLN 1010N -0.39 0.02 -0.78 2.65 5.75 0.13 0.34 115.11 122.83 1t62 h GLN 1010Ca -0.01 -0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1t62 h GLN 1010Cb 0.35 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 1t62 h GLN 1010CO 0.01 0.01 0.45 -0.97 -2.65 0.00 0.00 178.83 175.69 1t62 h ASN 1011N 0.02 0.67 -0.67 -0.69 -1.24 -0.28 -0.82 115.58 112.58 1t62 h ASN 1011Ca 0.15 0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.12 1t62 h ASN 1011Cb 0.23 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 1t62 h ASN 1011CO -0.31 0.41 0.12 0.15 -1.29 0.00 0.00 177.43 176.52 1t62 h PHE 1012N 0.80 1.16 0.86 0.67 3.04 -0.41 0.16 116.94 123.22 1t62 h PHE 1012Ca 0.36 -0.16 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 1t62 h PHE 1012Cb 0.26 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1t62 h PHE 1012CO -0.06 0.97 -0.48 -0.07 -2.02 0.00 0.00 178.31 176.65 1t62 h LEU 1013N 1.02 -1.19 -0.48 0.59 3.38 0.73 -2.20 115.31 117.17 1t62 h LEU 1013Ca 0.20 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.33 1t62 h LEU 1013Cb 0.42 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1t62 h LEU 1013CO 0.01 -0.77 -0.03 0.44 0.09 0.00 0.00 178.44 178.18 1t62 h ASP 1014N -1.24 -0.27 -0.97 -0.43 3.45 -1.14 1.27 116.42 117.09 1t62 h ASP 1014Ca -0.12 0.12 0.22 0.00 0.43 0.00 0.00 57.03 57.69 1t62 h ASP 1014Cb 0.98 0.23 -0.08 0.00 -0.56 0.00 0.00 39.33 39.90 1t62 h ASP 1014CO 0.15 -0.09 0.63 0.50 -1.57 0.00 0.00 179.24 178.85 1t62 h LYS 1015N 0.08 0.43 -0.23 3.56 3.64 -0.85 -0.41 116.57 122.80 1t62 h LYS 1015Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1t62 h LYS 1015Cb 0.36 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1t62 h LYS 1015CO -0.43 0.28 0.00 0.72 -2.27 0.00 0.00 179.45 177.76 1t62 n HIS 1016N -4.57 0.30 -3.32 1.91 8.25 -0.15 -5.04 115.22 112.60 1t62 n HIS 1016Ca 0.22 -0.37 -0.23 0.00 -0.26 0.00 0.00 57.72 57.08 1t62 n HIS 1016Cb 0.75 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.86 1t62 n HIS 1016CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1t62 n GLU 1017N 0.42 -1.55 -3.64 -0.41 1.02 0.42 -5.01 120.64 111.88 1t62 n GLU 1017Ca 0.09 1.36 -0.06 0.00 -0.02 0.00 0.00 57.16 58.53 1t62 n GLU 1017Cb 0.36 -2.22 -0.07 0.00 -0.02 0.00 0.00 31.44 29.50 1t62 n GLU 1017CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1t62 s LEU 1018N -1.99 -0.49 -0.20 -4.62 0.05 -1.09 -5.01 118.68 105.34 1t62 s LEU 1018Ca 0.24 0.87 -0.18 0.00 0.05 0.00 0.00 54.13 55.11 1t62 s LEU 1018Cb -0.03 1.84 -0.03 0.00 -2.05 0.00 0.00 46.19 45.92 1t62 s LEU 1018CO 0.60 -0.14 0.49 -0.62 -0.55 0.00 0.00 176.35 176.13 1t62 s ASP 1019N 0.72 6.54 -0.22 1.48 3.68 -1.26 -4.67 116.67 122.93 1t62 s ASP 1019Ca -0.02 0.65 -0.19 0.00 2.13 0.00 0.00 52.55 55.11 1t62 s ASP 1019Cb -0.04 -2.28 0.06 0.00 -1.45 0.00 0.00 42.92 39.20 1t62 s ASP 1019CO -0.10 -0.15 0.59 -0.04 0.13 0.00 0.00 175.17 175.59 1t62 s MET 1020N 1.54 0.67 0.72 4.34 -1.94 -1.26 -5.15 119.30 118.22 1t62 s MET 1020Ca 0.23 0.86 -0.14 0.00 -1.71 0.00 0.00 55.69 54.93 1t62 s MET 1020Cb -0.15 0.29 0.03 0.00 2.01 0.00 0.00 34.83 37.01 1t62 s MET 1020CO 0.09 -0.09 1.14 -0.51 -0.01 0.00 0.00 175.02 175.64 1t62 s LEU 1021N 0.50 3.27 0.39 -0.03 2.01 -1.26 -4.94 118.68 118.62 1t62 s LEU 1021Ca -0.02 2.09 -0.28 0.00 0.01 0.00 0.00 54.13 55.94 1t62 s LEU 1021Cb -0.04 -4.56 -0.11 0.00 0.01 0.00 0.00 46.19 41.49 1t62 s LEU 1021CO -0.02 -2.01 1.47 -0.32 1.01 0.00 0.00 176.35 176.48 1t62 s MET 1022N -4.21 4.06 0.00 1.70 -2.45 -1.26 -5.01 119.30 112.12 1t62 s MET 1022Ca 0.68 2.54 0.00 0.00 -1.25 0.00 0.00 55.69 57.66 1t62 s MET 1022Cb -0.23 -2.93 0.00 0.00 1.25 0.00 0.00 34.83 32.93 1t62 s MET 1022CO 0.46 -0.56 0.00 -0.35 1.05 0.00 0.00 175.02 175.62 1t62 n PRO 1023N 0.37 1.55 -2.81 4.11 -0.04 -1.26 -5.04 135.00 131.88 1t62 n PRO 1023Ca 0.01 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.17 1t62 n PRO 1023Cb 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 1t62 n PRO 1023CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1t62 s ASP 1024N -1.00 6.51 -0.09 3.54 -0.00 -1.26 -4.85 116.67 119.52 1t62 s ASP 1024Ca 0.00 1.14 0.03 0.00 -0.00 0.00 0.00 52.55 53.72 1t62 s ASP 1024Cb 0.00 -2.33 0.01 0.00 -0.00 0.00 0.00 42.92 40.60 1t62 s ASP 1024CO 0.00 -0.42 -0.16 0.68 -0.00 0.00 0.00 175.17 175.26 1t62 s VAL 1025N -2.41 1.51 0.18 -1.27 -7.23 -1.26 -0.09 120.40 109.82 1t62 s VAL 1025Ca 0.51 -0.68 -0.24 0.00 -1.81 0.00 0.00 61.98 59.76 1t62 s VAL 1025Cb -0.10 -1.35 0.06 0.00 0.56 0.00 0.00 36.38 35.55 1t62 s VAL 1025CO 0.32 0.44 0.92 -1.66 -0.31 0.00 0.00 175.10 174.81 1t62 s TRP 1026N 0.66 -0.14 0.12 2.82 1.48 -0.34 -4.98 118.94 118.56 1t62 s TRP 1026Ca -0.14 -0.19 0.10 0.00 -1.06 0.00 0.00 56.10 54.81 1t62 s TRP 1026Cb -0.16 0.65 -0.04 0.00 -1.16 0.00 0.00 33.47 32.76 1t62 s TRP 1026CO 0.04 -0.90 -0.23 0.00 -4.06 0.00 0.00 176.95 171.80 1t62 s MET 1027N -3.40 1.57 0.59 3.25 0.23 -1.26 -1.23 119.30 119.05 1t62 s MET 1027Ca 0.12 -1.27 -0.14 0.00 -1.03 0.00 0.00 55.69 53.37 1t62 s MET 1027Cb -0.02 -2.00 -0.04 0.00 -1.53 0.00 0.00 34.83 31.24 1t62 s MET 1027CO 0.03 0.46 1.03 -0.06 -2.03 0.00 0.00 175.02 174.45 1t62 s PHE 1028N -1.10 3.31 0.00 3.16 0.08 -1.26 -4.97 117.98 117.20 1t62 s PHE 1028Ca 0.16 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.64 1t62 s PHE 1028Cb -0.10 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.50 1t62 s PHE 1028CO 0.08 -0.78 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 1t62 n GLY 1029N -1.75 1.69 0.27 4.36 0.00 -1.26 -3.42 105.19 105.08 1t62 n GLY 1029Ca 0.07 -2.16 0.06 0.00 0.00 0.00 0.00 46.02 44.00 1t62 n GLY 1029CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1t62 h ASP 1030N 0.00 0.18 0.00 1.61 3.58 -1.93 -3.45 116.42 116.40 1t62 h ASP 1030Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1t62 h ASP 1030Cb 0.00 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1t62 h ASP 1030CO 0.00 0.15 0.00 0.61 -2.88 0.00 0.00 179.24 177.12 1t62 n GLY 1031N -1.45 1.18 3.76 -0.78 0.00 -1.26 -5.11 105.19 101.54 1t62 n GLY 1031Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1t62 n GLY 1031CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t62 s SER 1032N -0.48 5.58 0.38 1.61 1.04 -1.26 -4.92 113.70 115.65 1t62 s SER 1032Ca 0.00 2.30 0.13 0.00 0.48 0.00 0.00 55.95 58.86 1t62 s SER 1032Cb 0.00 -2.59 0.74 0.00 0.10 0.00 0.00 66.02 64.27 1t62 s SER 1032CO 0.00 -1.32 1.84 0.77 0.98 0.00 0.00 173.24 175.51 1t62 h SER 1033N 1.24 0.01 0.87 7.02 4.64 -1.97 -2.51 113.55 122.85 1t62 h SER 1033Ca -0.50 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 1t62 h SER 1033Cb 1.27 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1t62 h SER 1033CO 0.57 0.36 -0.42 -0.33 -0.87 0.00 0.00 176.83 176.14 1t62 h GLU 1034N 0.01 -1.13 -0.84 4.77 3.07 -1.91 0.82 114.58 119.37 1t62 h GLU 1034Ca -0.00 0.08 0.11 0.00 -0.50 0.00 0.00 59.36 59.05 1t62 h GLU 1034Cb 0.62 0.26 -0.06 0.00 -0.84 0.00 0.00 28.75 28.73 1t62 h GLU 1034CO 0.05 -0.75 0.54 1.98 -1.40 0.00 0.00 179.01 179.43 1t62 h MET 1035N -1.23 0.72 -0.52 2.33 4.05 -1.90 0.10 114.93 118.49 1t62 h MET 1035Ca -0.12 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.20 1t62 h MET 1035Cb 0.90 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1t62 h MET 1035CO 0.20 0.47 0.12 0.78 0.23 0.00 0.00 176.91 178.71 1t62 h GLY 1036N 0.74 0.90 0.65 1.39 0.00 -1.15 0.17 103.07 105.75 1t62 h GLY 1036Ca 0.40 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1t62 h GLY 1036CO -0.17 0.53 -0.08 3.43 0.00 0.00 0.00 176.54 180.26 1t62 h ASN 1037N 0.72 0.21 0.55 0.19 -0.26 0.35 0.21 115.58 117.55 1t62 h ASN 1037Ca 0.16 -0.47 -0.03 0.00 -0.56 0.00 0.00 56.30 55.40 1t62 h ASN 1037Cb 0.35 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1t62 h ASN 1037CO 0.00 0.64 -0.28 -0.09 -1.06 0.00 0.00 177.43 176.65 1t62 h ARG 1038N -0.22 -0.73 -0.37 0.81 9.65 -0.82 0.17 114.38 122.88 1t62 h ARG 1038Ca 0.01 0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.88 1t62 h ARG 1038Cb 0.58 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 1t62 h ARG 1038CO 0.02 -0.49 -0.04 -0.07 2.80 0.00 0.00 179.97 182.20 1t62 h LEU 1039N -0.76 0.57 -0.96 3.80 4.07 -1.05 -1.88 115.31 119.11 1t62 h LEU 1039Ca -0.07 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 57.71 1t62 h LEU 1039Cb 0.59 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 1t62 h LEU 1039CO 0.11 0.66 0.21 1.23 -1.08 0.00 0.00 178.44 179.58 1t62 h GLY 1040N 0.91 1.04 0.65 0.83 0.00 -0.23 -2.62 103.07 103.66 1t62 h GLY 1040Ca 0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1t62 h GLY 1040CO 0.02 0.55 -0.01 1.46 0.00 0.00 0.00 176.54 178.55 1t62 h GLN 1041N 0.94 0.09 -0.76 4.80 1.08 -0.11 -2.31 115.11 118.84 1t62 h GLN 1041Ca 0.21 -0.04 0.18 0.00 -1.45 0.00 0.00 58.65 57.55 1t62 h GLN 1041Cb 0.25 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.63 1t62 h GLN 1041CO -0.01 0.45 0.52 -0.07 -0.95 0.00 0.00 178.83 178.77 1t62 h LEU 1042N -0.28 0.27 0.12 1.46 3.38 -1.24 0.15 115.31 119.17 1t62 h LEU 1042Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1t62 h LEU 1042Cb 0.42 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1t62 h LEU 1042CO 0.01 0.13 -0.06 0.58 0.09 0.00 0.00 178.44 179.19 1t62 h VAL 1043N 0.28 1.04 -0.44 1.22 2.07 -1.29 -0.65 116.25 118.48 1t62 h VAL 1043Ca 0.37 -1.19 0.08 0.00 0.82 0.00 0.00 66.70 66.79 1t62 h VAL 1043Cb 1.06 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1t62 h VAL 1043CO -0.09 0.26 0.30 0.58 0.02 0.00 0.00 177.57 178.64 1t62 h VAL 1044N -0.77 0.91 0.00 2.57 2.07 -0.84 0.13 116.25 120.32 1t62 h VAL 1044Ca -0.02 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1t62 h VAL 1044Cb 0.55 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1t62 h VAL 1044CO 0.03 0.05 -0.37 0.28 0.02 0.00 0.00 177.57 177.57 1t62 h SER 1045N 0.26 0.00 0.00 0.57 0.02 -0.63 -3.47 113.55 110.30 1t62 h SER 1045Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1t62 h SER 1045Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1t62 h SER 1045CO -0.04 0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1t62 n GLY 1046N 0.06 0.73 0.08 -3.77 0.00 0.03 -4.93 105.19 97.40 1t62 n GLY 1046Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1t62 n GLY 1046CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t62 h ARG 1047N 3.81 0.12 -4.62 1.61 3.08 -1.37 -3.42 114.38 113.58 1t62 h ARG 1047Ca 0.00 -0.21 -0.70 0.00 0.07 0.00 0.00 59.98 59.14 1t62 h ARG 1047Cb 0.00 0.08 -0.28 0.00 0.08 0.00 0.00 29.97 29.84 1t62 h ARG 1047CO 0.00 1.05 -0.57 0.21 -1.07 0.00 0.00 179.97 179.59 1t62 s LYS 1048N -2.67 2.61 -0.18 0.04 2.20 -0.74 -4.79 119.74 116.20 1t62 s LYS 1048Ca -0.02 -1.24 0.14 0.00 -0.36 0.00 0.00 55.97 54.48 1t62 s LYS 1048Cb 0.08 -3.54 0.38 0.00 -1.51 0.00 0.00 37.83 33.24 1t62 s LYS 1048CO 0.85 -0.73 1.22 0.25 -0.36 0.00 0.00 175.35 176.57 1t62 n THR 1049N 4.84 2.11 -3.58 3.43 -2.24 0.17 -4.36 114.28 114.66 1t62 n THR 1049Ca -0.12 -2.80 -0.11 0.00 -2.27 0.00 0.00 64.05 58.75 1t62 n THR 1049Cb 0.44 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1t62 n THR 1049CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t62 s ALA 1050N -3.09 -1.11 -0.00 6.98 0.00 -1.07 -1.68 121.76 121.78 1t62 s ALA 1050Ca 0.36 0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.24 1t62 s ALA 1050Cb 0.34 0.72 0.04 0.00 0.00 0.00 0.00 23.12 24.22 1t62 s ALA 1050CO -0.02 -0.67 0.42 -0.08 0.00 0.00 0.00 175.76 175.42 1t62 s THR 1051N -3.72 0.04 0.05 0.00 -1.32 -0.58 -4.41 115.64 105.71 1t62 s THR 1051Ca 0.02 -0.37 0.05 0.00 -1.21 0.00 0.00 61.69 60.18 1t62 s THR 1051Cb 0.01 -0.82 -0.02 0.00 -1.51 0.00 0.00 72.50 70.16 1t62 s THR 1051CO -0.12 -0.20 -0.14 0.00 -2.21 0.00 0.00 174.62 171.95 1t62 s SER 1053N -1.34 1.27 0.04 0.00 1.04 -0.94 -4.93 113.70 108.83 1t62 s SER 1053Ca -0.00 -0.96 -0.31 0.00 0.48 0.00 0.00 55.95 55.16 1t62 s SER 1053Cb -0.09 0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.04 1t62 s SER 1053CO 0.02 -0.41 1.39 -0.55 0.98 0.00 0.00 173.24 174.66 1t62 s SER 1054N -2.92 6.86 -0.05 7.02 0.15 -1.26 -0.64 113.70 122.86 1t62 s SER 1054Ca 0.11 2.18 -0.24 0.00 0.70 0.00 0.00 55.95 58.69 1t62 s SER 1054Cb 0.03 -2.57 -0.19 0.00 -1.71 0.00 0.00 66.02 61.59 1t62 s SER 1054CO -0.03 -0.68 1.03 0.25 1.20 0.00 0.00 173.24 175.01 1t62 h LEU 1055N 7.78 -0.10 -1.48 3.45 7.12 -1.75 -3.29 115.31 127.04 1t62 h LEU 1055Ca -0.40 -0.46 0.30 0.00 0.13 0.00 0.00 57.88 57.45 1t62 h LEU 1055Cb 1.19 0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 41.26 1t62 h LEU 1055CO 0.88 0.46 0.72 0.44 -0.13 0.00 0.00 178.44 180.81 1t62 h ASP 1056N -0.73 0.35 0.32 1.25 3.45 -1.92 0.16 116.42 119.30 1t62 h ASP 1056Ca -0.01 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.51 1t62 h ASP 1056Cb 0.56 0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1t62 h ASP 1056CO 0.02 0.04 -0.04 -0.29 -1.57 0.00 0.00 179.24 177.40 1t62 h ILE 1057N 0.29 0.24 -3.89 0.35 -0.00 -1.95 -3.43 117.51 109.11 1t62 h ILE 1057Ca 0.61 -0.27 -0.50 0.00 -0.00 0.00 0.00 64.86 64.70 1t62 h ILE 1057Cb 1.75 1.21 0.04 0.00 -0.00 0.00 0.00 36.82 39.81 1t62 h ILE 1057CO -0.26 0.04 0.49 -0.31 -0.00 0.00 0.00 178.15 178.11 1t62 s TYR 1058N -4.12 3.27 -0.92 2.19 2.02 0.55 -4.97 117.35 115.37 1t62 s TYR 1058Ca -0.03 1.60 -0.17 0.00 -0.37 0.00 0.00 57.07 58.11 1t62 s TYR 1058Cb 0.12 -3.34 0.17 0.00 -0.40 0.00 0.00 41.96 38.51 1t62 s TYR 1058CO 0.51 -1.01 1.03 0.15 -1.57 0.00 0.00 175.55 174.67 1t62 s LYS 1059N -1.99 3.66 0.53 -0.62 1.02 -1.26 -4.92 119.74 116.15 1t62 s LYS 1059Ca 0.52 -2.09 0.36 0.00 0.02 0.00 0.00 55.97 54.78 1t62 s LYS 1059Cb -0.31 -4.76 1.22 0.00 -0.52 0.00 0.00 37.83 33.47 1t62 s LYS 1059CO 0.39 -1.60 1.30 -1.33 -0.92 0.00 0.00 175.35 173.19 1t62 n MET 1060N 5.54 0.01 -0.00 1.68 2.81 -1.26 -0.57 117.12 125.32 1t62 n MET 1060Ca 0.22 0.96 0.08 0.00 -1.81 0.00 0.00 57.70 57.15 1t62 n MET 1060Cb 0.48 -2.29 -0.11 0.00 -0.71 0.00 0.00 33.22 30.59 1t62 n MET 1060CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1t62 n GLU 1061N -3.42 1.09 -0.01 0.03 -0.58 -1.26 -4.57 120.64 111.92 1t62 n GLU 1061Ca 0.31 -0.07 0.10 0.00 -0.42 0.00 0.00 57.16 57.09 1t62 n GLU 1061Cb 1.63 -1.33 -0.17 0.00 -0.57 0.00 0.00 31.44 31.00 1t62 n GLU 1061CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1t62 n GLU 1062N -1.71 0.66 -4.04 3.49 1.02 0.26 -5.03 120.64 115.30 1t62 n GLU 1062Ca 0.00 -0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 56.86 1t62 n GLU 1062Cb 0.34 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 1t62 n GLU 1062CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1t62 s GLU 1063N -3.47 1.44 0.35 3.49 -1.05 -0.80 -5.06 118.70 113.60 1t62 s GLU 1063Ca -0.08 -1.32 0.08 0.00 -0.15 0.00 0.00 54.97 53.50 1t62 s GLU 1063Cb 0.14 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 34.20 1t62 s GLU 1063CO 0.90 -0.57 0.11 -0.65 0.95 0.00 0.00 175.26 176.01 1t62 s GLN 1064N -4.04 2.26 0.39 -4.83 -0.21 -1.26 -4.54 119.66 107.43 1t62 s GLN 1064Ca 0.25 -1.66 -0.10 0.00 0.02 0.00 0.00 55.36 53.87 1t62 s GLN 1064Cb 0.01 -2.07 -0.06 0.00 1.00 0.00 0.00 33.01 31.89 1t62 s GLN 1064CO 0.09 0.07 0.75 -0.51 -2.12 0.00 0.00 175.29 173.57 1t62 s LEU 1065N -3.82 3.86 0.19 2.90 1.43 -1.26 -5.00 118.68 116.98 1t62 s LEU 1065Ca 0.38 1.10 -0.33 0.00 -1.03 0.00 0.00 54.13 54.25 1t62 s LEU 1065Cb -0.01 -3.97 -0.15 0.00 0.03 0.00 0.00 46.19 42.10 1t62 s LEU 1065CO 0.22 -0.37 1.32 -0.81 0.23 0.00 0.00 176.35 176.93 1t62 n PRO 1066N -1.23 1.60 -4.28 1.29 -0.04 -1.26 -4.98 135.00 126.10 1t62 n PRO 1066Ca 0.02 0.57 -0.24 0.00 -0.04 0.00 0.00 63.50 63.81 1t62 n PRO 1066Cb 0.54 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.75 1t62 n PRO 1066CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1t62 s LYS 1067N -0.19 2.28 0.36 0.54 -0.14 -1.26 -4.83 119.74 116.50 1t62 s LYS 1067Ca 0.73 -1.35 -0.28 0.00 -1.36 0.00 0.00 55.97 53.70 1t62 s LYS 1067Cb -0.76 -2.19 -0.11 0.00 -1.68 0.00 0.00 37.83 33.09 1t62 s LYS 1067CO 0.49 0.39 1.44 0.00 -0.76 0.00 0.00 175.35 176.91 1t62 s ALA 1068N -2.15 3.56 0.00 5.17 0.00 -1.26 -2.58 121.76 124.49 1t62 s ALA 1068Ca 0.30 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1t62 s ALA 1068Cb -0.07 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1t62 s ALA 1068CO 0.19 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1t62 n GLY 1069N 0.56 0.88 3.90 0.00 0.00 0.58 -4.98 105.19 106.13 1t62 n GLY 1069Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1t62 n GLY 1069CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1t62 s GLN 1070N -0.76 3.24 0.17 1.61 -2.07 -1.07 -4.72 119.66 116.07 1t62 s GLN 1070Ca 0.00 0.30 0.08 0.00 -1.82 0.00 0.00 55.36 53.92 1t62 s GLN 1070Cb 0.00 -2.22 -0.04 0.00 -1.09 0.00 0.00 33.01 29.66 1t62 s GLN 1070CO 0.00 -0.58 -0.08 0.71 -1.32 0.00 0.00 175.29 174.02 1t62 s TYR 1071N -3.02 2.69 -0.03 9.60 1.51 -1.26 -1.30 117.35 125.54 1t62 s TYR 1071Ca 0.53 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 56.32 1t62 s TYR 1071Cb -0.11 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1t62 s TYR 1071CO 0.48 0.50 0.16 -0.51 -1.11 0.00 0.00 175.55 175.07 1t62 s ASP 1072N -2.76 -0.07 -0.20 2.29 1.11 -1.01 -4.00 116.67 112.03 1t62 s ASP 1072Ca 0.25 0.04 -0.08 0.00 0.18 0.00 0.00 52.55 52.94 1t62 s ASP 1072Cb -0.09 0.28 -0.04 0.00 1.07 0.00 0.00 42.92 44.13 1t62 s ASP 1072CO 0.16 -0.25 0.09 -0.63 1.18 0.00 0.00 175.17 175.72 1t62 s ILE 1073N -0.77 4.87 -0.15 0.77 1.01 0.87 -1.56 121.20 126.24 1t62 s ILE 1073Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 1t62 s ILE 1073Cb -0.05 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1t62 s ILE 1073CO 0.01 0.42 0.16 -0.63 0.00 0.00 0.00 174.94 174.90 1t62 s ILE 1074N 0.68 5.44 0.30 2.92 -1.09 0.24 -1.20 121.20 128.48 1t62 s ILE 1074Ca 0.05 0.25 0.11 0.00 -2.23 0.00 0.00 60.65 58.82 1t62 s ILE 1074Cb -0.13 -3.46 -0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1t62 s ILE 1074CO 0.02 0.53 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.33 1t62 s LEU 1075N -0.35 2.64 0.00 2.97 1.43 -0.37 0.22 118.68 125.22 1t62 s LEU 1075Ca 0.12 -1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 52.15 1t62 s LEU 1075Cb -0.12 -1.10 0.13 0.00 0.03 0.00 0.00 46.19 45.13 1t62 s LEU 1075CO 0.02 -0.02 0.86 -0.90 0.23 0.00 0.00 176.35 176.53 1t62 n ASP 1076N -0.67 1.07 0.34 2.29 5.68 0.59 -4.24 116.55 121.60 1t62 n ASP 1076Ca -0.05 -1.92 0.20 0.00 -0.50 0.00 0.00 54.79 52.52 1t62 n ASP 1076Cb 0.61 -0.56 1.09 0.00 -1.14 0.00 0.00 41.12 41.12 1t62 n ASP 1076CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1t62 h GLY 1077N -0.57 0.00 -2.32 6.12 0.00 -1.69 0.46 103.07 105.08 1t62 h GLY 1077Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1t62 h GLY 1077CO 0.30 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.78 1t62 n GLN 1078N -3.01 2.48 -2.75 4.80 3.00 -1.26 -4.30 117.38 116.34 1t62 n GLN 1078Ca -0.03 -2.29 -0.14 0.00 -0.01 0.00 0.00 57.00 54.53 1t62 n GLN 1078Cb 0.17 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 28.93 1t62 n GLN 1078CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1t62 n SER 1079N 1.38 -4.49 -4.63 1.08 7.64 0.16 -5.04 113.62 109.72 1t62 n SER 1079Ca 0.21 -0.19 -0.34 0.00 1.01 0.00 0.00 58.87 59.56 1t62 n SER 1079Cb 0.55 -3.36 -0.10 0.00 -1.01 0.00 0.00 64.21 60.29 1t62 n SER 1079CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1t62 s GLN 1080N -5.29 2.83 0.21 1.43 -0.21 -1.26 -4.76 119.66 112.62 1t62 s GLN 1080Ca 0.20 -0.50 -0.32 0.00 0.02 0.00 0.00 55.36 54.75 1t62 s GLN 1080Cb -0.09 -2.67 -0.13 0.00 1.00 0.00 0.00 33.01 31.12 1t62 s GLN 1080CO 0.24 0.68 1.51 -0.35 -2.12 0.00 0.00 175.29 175.25 1t62 n PRO 1081N 2.11 2.17 -0.07 2.91 -0.04 -1.26 -0.30 135.00 140.52 1t62 n PRO 1081Ca -0.18 0.78 -0.13 0.00 -0.04 0.00 0.00 63.50 63.93 1t62 n PRO 1081Cb 0.53 -2.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.43 1t62 n PRO 1081CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1t62 n LEU 1082N 2.79 1.78 -3.81 1.53 4.77 0.58 -4.64 117.00 120.01 1t62 n LEU 1082Ca 0.14 0.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.21 1t62 n LEU 1082Cb 0.31 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1t62 n LEU 1082CO 0.63 0.46 1.04 0.00 -1.33 0.00 0.00 177.39 178.19 1t62 s ALA 1083N -2.26 -2.24 -0.02 -1.18 0.00 -1.06 -1.35 121.76 113.65 1t62 s ALA 1083Ca -0.19 0.29 0.08 0.00 0.00 0.00 0.00 51.96 52.13 1t62 s ALA 1083Cb 0.06 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1t62 s ALA 1083CO 0.27 -1.10 -0.25 -1.50 0.00 0.00 0.00 175.76 173.18 1t62 s ILE 1084N -2.26 1.99 0.17 0.00 2.07 -0.27 0.81 121.20 123.70 1t62 s ILE 1084Ca 0.21 -1.07 0.09 0.00 -1.41 0.00 0.00 60.65 58.47 1t62 s ILE 1084Cb 0.02 -1.65 -0.04 0.00 0.13 0.00 0.00 42.46 40.91 1t62 s ILE 1084CO -0.01 0.56 -0.19 0.27 -1.91 0.00 0.00 174.94 173.66 1t62 s ILE 1085N -0.55 1.92 -0.10 2.00 -4.36 -0.60 -1.54 121.20 117.97 1t62 s ILE 1085Ca 0.08 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.55 1t62 s ILE 1085Cb -0.10 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.70 1t62 s ILE 1085CO -0.01 -0.28 -0.17 -0.60 0.24 0.00 0.00 174.94 174.12 1t62 s ARG 1086N -2.78 3.10 -0.28 0.37 3.52 0.06 -2.39 118.95 120.55 1t62 s ARG 1086Ca 0.17 -0.76 -0.26 0.00 -0.13 0.00 0.00 55.73 54.76 1t62 s ARG 1086Cb -0.06 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 1t62 s ARG 1086CO 0.07 0.28 0.89 0.99 -0.81 0.00 0.00 175.30 176.72 1t62 s THR 1087N 0.15 4.73 -1.66 4.11 2.01 -0.42 -1.26 115.64 123.29 1t62 s THR 1087Ca -0.09 1.52 0.25 0.00 0.31 0.00 0.00 61.69 63.68 1t62 s THR 1087Cb -0.15 -4.21 0.16 0.00 0.01 0.00 0.00 72.50 68.30 1t62 s THR 1087CO 0.06 -0.23 1.43 0.35 -0.69 0.00 0.00 174.62 175.53 1t62 n THR 1088N 5.49 0.00 -3.59 -0.82 -2.24 0.15 0.22 114.28 113.48 1t62 n THR 1088Ca 0.07 -0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.67 1t62 n THR 1088Cb 0.47 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1t62 n THR 1088CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1t62 s LYS 1089N -2.59 0.33 -0.10 -0.78 2.20 -1.02 -4.83 119.74 112.95 1t62 s LYS 1089Ca 0.21 -0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.68 1t62 s LYS 1089Cb 0.19 0.15 0.05 0.00 -1.51 0.00 0.00 37.83 36.71 1t62 s LYS 1089CO 0.57 -0.14 0.15 0.08 -0.36 0.00 0.00 175.35 175.65 1t62 s VAL 1090N -2.27 -0.24 -0.02 4.02 1.01 -1.26 -1.48 120.40 120.15 1t62 s VAL 1090Ca 0.08 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1t62 s VAL 1090Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1t62 s VAL 1090CO -0.05 0.09 -0.16 -0.70 0.00 0.00 0.00 175.10 174.28 1t62 s GLU 1091N 2.27 1.48 0.01 2.72 2.12 -0.72 -4.96 118.70 121.61 1t62 s GLU 1091Ca 0.04 -0.58 -0.20 0.00 0.36 0.00 0.00 54.97 54.58 1t62 s GLU 1091Cb -0.13 -1.37 -0.06 0.00 0.26 0.00 0.00 34.13 32.84 1t62 s GLU 1091CO -0.06 0.30 0.59 0.42 -0.54 0.00 0.00 175.26 175.97 1t62 s ILE 1092N -0.21 4.88 -0.11 -3.70 -1.09 -1.26 -0.74 121.20 118.97 1t62 s ILE 1092Ca 0.02 1.23 -0.12 0.00 -2.23 0.00 0.00 60.65 59.55 1t62 s ILE 1092Cb -0.08 -3.92 0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1t62 s ILE 1092CO 0.00 0.44 0.34 -0.04 -1.23 0.00 0.00 174.94 174.45 1t62 s MET 1093N -0.35 0.44 0.33 2.79 -1.94 -0.26 -4.93 119.30 115.38 1t62 s MET 1093Ca 0.30 0.37 -0.26 0.00 -1.71 0.00 0.00 55.69 54.40 1t62 s MET 1093Cb -0.18 0.21 -0.10 0.00 2.01 0.00 0.00 34.83 36.77 1t62 s MET 1093CO 0.17 -0.07 0.97 -2.14 -0.01 0.00 0.00 175.02 173.94 1t62 s PRO 1094N -0.05 4.53 0.22 2.03 0.02 -1.26 0.15 135.00 140.63 1t62 s PRO 1094Ca -0.02 1.38 -0.10 0.00 0.02 0.00 0.00 61.00 62.29 1t62 s PRO 1094Cb -0.03 -2.79 0.32 0.00 0.02 0.00 0.00 34.50 32.02 1t62 s PRO 1094CO 0.01 0.21 1.68 0.52 -0.33 0.00 0.00 177.00 179.10 1t62 h MET 1095N 3.12 0.19 -1.97 5.54 2.86 -0.95 -0.89 114.93 122.83 1t62 h MET 1095Ca -0.47 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1t62 h MET 1095Cb 1.20 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1t62 h MET 1095CO 0.65 0.13 0.00 0.27 1.06 0.00 0.00 176.91 179.01 1t62 n ASN 1096N -5.20 4.71 -0.15 1.22 0.23 -1.18 -3.20 115.26 111.69 1t62 n ASN 1096Ca 0.10 -2.24 0.00 0.00 -0.53 0.00 0.00 54.58 51.90 1t62 n ASN 1096Cb 0.36 -0.99 0.00 0.00 -2.08 0.00 0.00 39.78 37.07 1t62 n ASN 1096CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1t62 n LYS 1097N 1.52 0.00 -2.15 -3.83 0.00 -0.35 -5.07 118.16 108.28 1t62 n LYS 1097Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.90 1t62 n LYS 1097Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.45 1t62 n LYS 1097CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1t62 s VAL 1098N 0.00 3.02 0.27 3.15 1.01 -1.16 -4.79 120.40 121.90 1t62 s VAL 1098Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 1t62 s VAL 1098Cb 0.00 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1t62 s VAL 1098CO 0.00 0.13 1.07 -0.94 0.00 0.00 0.00 175.10 175.36 1t62 s SER 1099N 0.32 7.35 0.22 3.32 1.04 -1.26 -4.87 113.70 119.81 1t62 s SER 1099Ca 0.57 2.20 0.14 0.00 0.48 0.00 0.00 55.95 59.34 1t62 s SER 1099Cb -0.38 -2.62 0.76 0.00 0.10 0.00 0.00 66.02 63.87 1t62 s SER 1099CO 0.40 -0.08 1.41 1.21 0.98 0.00 0.00 173.24 177.16 1t62 n GLU 1100N 1.27 0.09 -0.05 4.02 4.07 -1.26 -0.32 120.64 128.47 1t62 n GLU 1100Ca -0.01 0.58 -0.12 0.00 -0.06 0.00 0.00 57.16 57.54 1t62 n GLU 1100Cb 0.45 -1.83 -0.07 0.00 -0.06 0.00 0.00 31.44 29.93 1t62 n GLU 1100CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1t62 h SER 1101N 0.00 0.27 -0.03 4.31 0.87 -2.00 -1.81 113.55 115.16 1t62 h SER 1101Ca 0.00 -0.40 -0.16 0.00 -1.23 0.00 0.00 61.79 60.00 1t62 h SER 1101Cb 0.06 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1t62 h SER 1101CO 0.00 0.61 -0.60 0.15 -0.53 0.00 0.00 176.83 176.46 1t62 h PHE 1102N -0.07 0.66 -0.97 2.24 3.04 -1.04 -3.12 116.94 117.69 1t62 h PHE 1102Ca 0.03 -0.34 0.19 0.00 3.98 0.00 0.00 57.97 61.83 1t62 h PHE 1102Cb 0.50 -0.08 -0.11 0.00 2.56 0.00 0.00 35.95 38.82 1t62 h PHE 1102CO 0.06 1.15 0.57 0.00 -2.02 0.00 0.00 178.31 178.06 1t62 h ALA 1103N 0.36 1.59 0.01 2.41 0.00 -1.12 0.20 119.26 122.71 1t62 h ALA 1103Ca -0.07 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1t62 h ALA 1103Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1t62 h ALA 1103CO 0.12 -0.08 -0.90 -0.56 0.00 0.00 0.00 179.25 177.83 1t62 h GLN 1104N 0.71 0.20 -0.11 0.00 3.07 -1.40 0.58 115.11 118.15 1t62 h GLN 1104Ca 0.56 -0.22 -0.05 0.00 0.09 0.00 0.00 58.65 59.03 1t62 h GLN 1104Cb 0.88 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.49 1t62 h GLN 1104CO -0.39 0.97 -0.14 0.00 0.09 0.00 0.00 178.83 179.36 1t62 h ALA 1105N 0.95 1.56 0.00 0.06 0.00 -0.93 -3.28 119.26 117.62 1t62 h ALA 1105Ca -0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1t62 h ALA 1105Cb 1.54 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1t62 h ALA 1105CO 0.14 0.32 -1.61 -0.85 0.00 0.00 0.00 179.25 177.25 1t62 n GLU 1106N -4.29 2.22 0.00 0.00 -0.00 -0.59 0.44 120.64 118.41 1t62 n GLU 1106Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 1t62 n GLU 1106Cb 0.26 -1.24 0.00 0.00 -0.00 0.00 0.00 31.44 30.46 1t62 n GLU 1106CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1t62 n GLY 1107N 2.37 0.46 0.00 -1.84 0.00 0.20 -4.86 105.19 101.52 1t62 n GLY 1107Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1t62 n GLY 1107CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t62 n LEU 1113N 0.00 0.00 0.07 0.99 4.77 -1.26 -4.81 117.00 116.76 1t62 n LEU 1113Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1t62 n LEU 1113Cb 0.00 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.56 1t62 n LEU 1113CO 0.00 0.00 0.88 -0.67 -1.33 0.00 0.00 177.39 176.27 1t62 n ASP 1114N 0.00 0.48 0.20 -1.43 2.03 -1.26 -2.94 116.55 113.63 1t62 n ASP 1114Ca 0.00 0.57 0.08 0.00 0.52 0.00 0.00 54.79 55.96 1t62 n ASP 1114Cb 0.00 -0.69 0.35 0.00 -0.72 0.00 0.00 41.12 40.06 1t62 n ASP 1114CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1t62 h TYR 1115N 0.00 0.00 -0.92 -0.67 -0.00 -2.05 -3.33 116.97 109.99 1t62 h TYR 1115Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.73 58.85 1t62 h TYR 1115Cb 0.54 0.00 -0.14 0.00 -0.00 0.00 0.00 36.73 37.14 1t62 h TYR 1115CO 0.00 0.29 -0.42 1.87 -0.00 0.00 0.00 178.16 179.90 1t62 n TRP 1116N -3.38 -0.11 0.07 0.10 -0.00 -1.15 -0.01 117.44 112.97 1t62 n TRP 1116Ca 0.01 1.14 -0.13 0.00 -0.00 0.00 0.00 57.50 58.52 1t62 n TRP 1116Cb 0.50 -0.76 -0.08 0.00 -0.00 0.00 0.00 31.31 30.97 1t62 n TRP 1116CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 1t62 h TYR 1117N 0.00 -0.11 -0.41 5.87 3.20 -1.84 0.02 116.97 123.71 1t62 h TYR 1117Ca 0.27 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.21 1t62 h TYR 1117Cb 0.50 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.71 1t62 h TYR 1117CO -0.85 0.01 -0.41 0.93 -1.64 0.00 0.00 178.16 176.20 1t62 h GLU 1118N -0.21 -0.30 -0.40 1.82 4.39 -0.90 0.53 114.58 119.51 1t62 h GLU 1118Ca -0.01 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1t62 h GLU 1118Cb 0.17 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1t62 h GLU 1118CO 0.02 -0.20 0.12 1.49 -1.16 0.00 0.00 179.01 179.28 1t62 h GLU 1119N -0.31 0.62 -0.24 2.33 4.22 -0.35 -2.45 114.58 118.40 1t62 h GLU 1119Ca 0.15 -0.14 -0.09 0.00 0.08 0.00 0.00 59.36 59.36 1t62 h GLU 1119Cb 0.58 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1t62 h GLU 1119CO -0.57 0.63 -0.24 0.45 -2.18 0.00 0.00 179.01 177.10 1t62 h HIS 1120N 0.50 0.49 -0.50 0.92 3.86 -0.29 0.31 115.15 120.45 1t62 h HIS 1120Ca 0.13 -0.10 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1t62 h HIS 1120Cb 0.27 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1t62 h HIS 1120CO 0.01 0.65 0.03 0.00 0.86 0.00 0.00 177.93 179.49 1t62 h ALA 1121N 1.35 1.12 -0.35 2.45 0.00 0.15 0.16 119.26 124.15 1t62 h ALA 1121Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1t62 h ALA 1121Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1t62 h ALA 1121CO 0.05 0.57 -0.10 -0.09 0.00 0.00 0.00 179.25 179.68 1t62 h ARG 1122N 0.77 0.68 0.61 0.00 1.12 -0.98 0.68 114.38 117.26 1t62 h ARG 1122Ca 0.15 -0.26 -0.03 0.00 -1.11 0.00 0.00 59.98 58.73 1t62 h ARG 1122Cb 0.42 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.34 1t62 h ARG 1122CO 0.01 0.85 -0.34 0.35 -3.11 0.00 0.00 179.97 177.73 1t62 h PHE 1123N 0.46 -0.89 -0.01 2.20 3.57 -0.29 -3.13 116.94 118.85 1t62 h PHE 1123Ca 0.09 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.39 1t62 h PHE 1123Cb 0.60 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1t62 h PHE 1123CO 0.05 -0.53 -0.80 0.74 -2.23 0.00 0.00 178.31 175.55 1t62 h PHE 1124N -0.88 0.21 -0.01 0.41 0.05 -1.03 -2.83 116.94 112.85 1t62 h PHE 1124Ca -0.08 -0.11 0.00 0.00 3.82 0.00 0.00 57.97 61.61 1t62 h PHE 1124Cb 0.70 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.62 1t62 h PHE 1124CO -0.07 0.88 0.02 -0.22 -0.18 0.00 0.00 178.31 178.74 1t62 h LYS 1125N 0.09 0.00 0.05 1.51 3.64 -0.90 -0.92 116.57 120.04 1t62 h LYS 1125Ca -0.03 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.13 1t62 h LYS 1125Cb 1.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1t62 h LYS 1125CO 0.12 0.00 -1.16 0.93 -2.27 0.00 0.00 179.45 177.07 1t62 h GLU 1126N 0.00 0.12 -0.85 1.90 5.08 -1.47 -3.13 114.58 116.22 1t62 h GLU 1126Ca 0.01 -0.20 0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1t62 h GLU 1126Cb 0.05 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 1t62 h GLU 1126CO -0.00 1.09 0.55 1.49 -1.00 0.00 0.00 179.01 181.15 1t62 h GLU 1127N -0.65 0.76 -0.22 2.33 4.81 -1.16 -0.86 114.58 119.59 1t62 h GLU 1127Ca -0.28 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.76 1t62 h GLU 1127Cb 1.49 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1t62 h GLU 1127CO -0.05 0.50 -0.46 -0.07 -0.73 0.00 0.00 179.01 178.20 1t62 h LEU 1128N 0.78 0.61 -0.71 1.64 3.38 -1.33 -3.35 115.31 116.33 1t62 h LEU 1128Ca 0.40 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1t62 h LEU 1128Cb 0.48 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1t62 h LEU 1128CO -0.17 0.98 -0.42 0.00 0.09 0.00 0.00 178.44 178.93 1t62 n ALA 1129N -2.51 -0.45 0.30 1.53 0.00 -0.33 0.01 120.51 119.06 1t62 n ALA 1129Ca -0.02 0.60 0.18 0.00 0.00 0.00 0.00 53.44 54.20 1t62 n ALA 1129Cb 0.55 -0.08 0.95 0.00 0.00 0.00 0.00 19.45 20.87 1t62 n ALA 1129CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t62 h PRO 1130N 0.00 0.00 0.00 0.00 0.13 -1.70 -3.39 132.00 127.04 1t62 h PRO 1130Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1t62 h PRO 1130Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1t62 h PRO 1130CO -0.67 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 177.76 1t62 n TYR 1131N -3.16 0.00 -2.87 1.56 4.02 0.10 -4.96 117.16 111.85 1t62 n TYR 1131Ca -0.01 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.44 1t62 n TYR 1131Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 1t62 n TYR 1131CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1t62 n GLN 1132N 0.00 3.59 -0.04 -0.72 0.00 -1.26 -4.90 117.38 114.05 1t62 n GLN 1132Ca 0.00 -3.96 0.00 0.00 -0.00 0.00 0.00 57.00 53.04 1t62 n GLN 1132Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 30.24 27.38 1t62 n GLN 1132CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1t62 n LEU 1133N 4.16 0.00 -4.58 1.69 -0.00 -1.09 -4.78 117.00 112.40 1t62 n LEU 1133Ca 0.34 -0.85 -0.23 0.00 -0.00 0.00 0.00 56.01 55.27 1t62 n LEU 1133Cb 0.39 -0.36 -0.08 0.00 -0.00 0.00 0.00 43.42 43.37 1t62 n LEU 1133CO 0.66 -1.03 1.33 0.00 -0.00 0.00 0.00 177.39 178.35 1t62 s GLN 1134N 4.21 1.95 0.21 1.47 -2.07 -1.26 -4.83 119.66 119.34 1t62 s GLN 1134Ca 0.00 -0.86 -0.30 0.00 -1.82 0.00 0.00 55.36 52.38 1t62 s GLN 1134Cb 0.00 -5.13 -0.08 0.00 -1.09 0.00 0.00 33.01 26.70 1t62 s GLN 1134CO 0.00 -4.61 0.95 0.12 -1.32 0.00 0.00 175.29 170.43 1t62 s PHE 1135N 13.50 3.94 0.05 9.60 5.36 -1.26 -5.01 117.98 144.15 1t62 s PHE 1135Ca 0.74 1.89 -0.12 0.00 -0.96 0.00 0.00 56.93 58.47 1t62 s PHE 1135Cb -0.03 -3.00 0.01 0.00 -0.34 0.00 0.00 43.02 39.66 1t62 s PHE 1135CO 0.15 0.38 0.26 0.71 -1.46 0.00 0.00 175.22 175.26 1t62 s TYR 1136N -0.87 -0.03 0.21 10.12 1.51 -1.26 -5.02 117.35 122.01 1t62 s TYR 1136Ca 0.43 -0.18 0.12 0.00 -1.01 0.00 0.00 57.07 56.43 1t62 s TYR 1136Cb -0.25 0.05 0.36 0.00 -0.11 0.00 0.00 41.96 42.00 1t62 s TYR 1136CO 0.32 -0.50 1.60 -1.35 -1.11 0.00 0.00 175.55 174.51 1t62 h PRO 1137N 3.19 0.00 -0.62 -1.71 0.11 -2.03 -2.98 132.00 127.96 1t62 h PRO 1137Ca -0.32 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.92 1t62 h PRO 1137Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1t62 h PRO 1137CO 0.48 0.60 0.42 0.22 -0.21 0.00 0.00 178.00 179.51 1t62 h ASP 1138N 0.00 0.25 0.00 -2.05 3.58 -1.97 -3.12 116.42 113.11 1t62 h ASP 1138Ca -0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t62 h ASP 1138Cb 1.13 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1t62 h ASP 1138CO 0.08 0.14 0.00 0.23 -2.88 0.00 0.00 179.24 176.80 1t62 n MET 1139N -4.44 0.00 -3.40 0.28 2.81 -1.13 -4.10 117.12 107.14 1t62 n MET 1139Ca 0.11 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.62 1t62 n MET 1139Cb 0.50 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.95 1t62 n MET 1139CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1t62 s LEU 1140N 0.00 4.39 0.09 4.03 1.43 -1.26 -0.67 118.68 126.69 1t62 s LEU 1140Ca 0.00 0.92 0.08 0.00 -1.03 0.00 0.00 54.13 54.10 1t62 s LEU 1140Cb 0.00 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1t62 s LEU 1140CO 0.00 0.18 -0.19 -0.76 0.23 0.00 0.00 176.35 175.80 1t62 s LEU 1141N -0.31 2.61 -0.62 1.79 1.43 0.39 -2.09 118.68 121.88 1t62 s LEU 1141Ca 0.25 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 1t62 s LEU 1141Cb -0.16 -1.50 0.12 0.00 0.03 0.00 0.00 46.19 44.68 1t62 s LEU 1141CO 0.12 0.21 0.70 -0.69 0.23 0.00 0.00 176.35 176.93 1t62 s VAL 1142N -1.04 4.93 -0.61 -1.59 1.01 0.19 -1.11 120.40 122.19 1t62 s VAL 1142Ca 0.16 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 1t62 s VAL 1142Cb -0.10 -4.48 0.11 0.00 0.00 0.00 0.00 36.38 31.90 1t62 s VAL 1142CO 0.08 -1.11 0.72 0.00 0.00 0.00 0.00 175.10 174.79 1t62 s GLN 1144N 2.57 4.24 -0.14 0.00 -0.21 0.17 -1.75 119.66 124.54 1t62 s GLN 1144Ca 0.12 0.34 -0.13 0.00 0.02 0.00 0.00 55.36 55.71 1t62 s GLN 1144Cb -0.23 -3.50 -0.05 0.00 1.00 0.00 0.00 33.01 30.23 1t62 s GLN 1144CO 0.05 0.01 0.29 -1.12 -2.12 0.00 0.00 175.29 172.40 1t62 s SER 1145N 0.89 6.47 0.22 5.90 0.01 -0.55 -1.52 113.70 125.12 1t62 s SER 1145Ca 0.23 0.55 0.05 0.00 1.31 0.00 0.00 55.95 58.09 1t62 s SER 1145Cb -0.15 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1t62 s SER 1145CO 0.09 0.15 0.18 2.22 0.41 0.00 0.00 173.24 176.29 1t62 n PHE 1146N 3.23 -0.49 -3.70 2.43 -1.74 -0.68 0.30 117.46 116.81 1t62 n PHE 1146Ca -0.13 -1.83 -0.14 0.00 -0.56 0.00 0.00 57.45 54.79 1t62 n PHE 1146Cb 0.52 0.18 -0.08 0.00 1.52 0.00 0.00 39.48 41.62 1t62 n PHE 1146CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 1t62 s GLU 1147N -2.89 0.73 -0.06 3.97 -1.05 -0.39 -4.70 118.70 114.31 1t62 s GLU 1147Ca 0.25 0.03 -0.30 0.00 -0.15 0.00 0.00 54.97 54.80 1t62 s GLU 1147Cb 0.01 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1t62 s GLU 1147CO 0.18 -0.20 1.09 0.08 0.95 0.00 0.00 175.26 177.36 1t62 s VAL 1148N -1.07 4.54 -0.28 1.83 1.01 -1.26 -0.76 120.40 124.41 1t62 s VAL 1148Ca -0.11 1.83 0.11 0.00 0.00 0.00 0.00 61.98 63.81 1t62 s VAL 1148Cb -0.04 -4.18 0.25 0.00 0.00 0.00 0.00 36.38 32.41 1t62 s VAL 1148CO 0.05 0.03 1.18 1.33 0.00 0.00 0.00 175.10 177.69 1t62 n VAL 1149N 4.46 1.47 0.00 2.92 0.24 -0.59 -4.92 118.33 121.91 1t62 n VAL 1149Ca 0.09 -1.49 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 1t62 n VAL 1149Cb 0.48 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1t62 n VAL 1149CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1t62 n ASP 1150N -0.50 0.00 -3.68 -1.34 4.64 -1.19 -4.96 116.55 109.52 1t62 n ASP 1150Ca 0.11 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.43 1t62 n ASP 1150Cb 0.51 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.50 1t62 n ASP 1150CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 1t62 s LEU 1151N 0.00 -0.39 0.04 -2.67 2.34 -1.26 -1.12 118.68 115.61 1t62 s LEU 1151Ca 0.00 1.02 -0.33 0.00 0.06 0.00 0.00 54.13 54.87 1t62 s LEU 1151Cb 0.00 1.50 -0.17 0.00 -0.56 0.00 0.00 46.19 46.96 1t62 s LEU 1151CO 0.00 -0.21 0.85 0.00 -1.06 0.00 0.00 176.35 175.93 1t62 n TYR 1152N 4.65 0.35 -3.07 3.48 9.36 -0.46 -4.89 117.16 126.59 1t62 n TYR 1152Ca -0.18 0.93 -0.17 0.00 3.32 0.00 0.00 57.90 61.81 1t62 n TYR 1152Cb 0.54 -1.85 -0.01 0.00 -0.63 0.00 0.00 39.34 37.39 1t62 n TYR 1152CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1t62 n THR 1153N 1.05 -0.21 0.00 2.97 -2.24 -1.26 -4.92 114.28 109.67 1t62 n THR 1153Ca 0.18 -3.71 0.00 0.00 -2.27 0.00 0.00 64.05 58.25 1t62 n THR 1153Cb 0.10 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1t62 n THR 1153CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1t62 n HIS 1162N 0.54 0.00 -3.14 4.78 -0.00 -1.26 -5.23 115.22 110.91 1t62 n HIS 1162Ca 0.20 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.71 1t62 n HIS 1162Cb 0.65 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.64 1t62 n HIS 1162CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1t62 s HIS 1163N 0.00 3.12 -0.10 1.57 3.76 -1.26 -5.12 115.29 117.26 1t62 s HIS 1163Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 55.06 54.89 1t62 s HIS 1163Cb 0.00 -2.24 0.04 0.00 1.11 0.00 0.00 32.58 31.49 1t62 s HIS 1163CO 0.00 -0.28 0.04 -1.01 -0.85 0.00 0.00 174.74 172.64 1t62 s HIS 1164N -2.42 0.46 -0.20 1.40 3.76 -1.26 -5.09 115.29 111.95 1t62 s HIS 1164Ca 0.48 -0.18 -0.06 0.00 -0.15 0.00 0.00 55.06 55.14 1t62 s HIS 1164Cb -0.10 -0.73 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 1t62 s HIS 1164CO 0.35 -0.37 0.04 -1.01 -0.85 0.00 0.00 174.74 172.90 1t62 s HIS 1165N 2.04 3.13 -2.34 1.40 3.76 -1.26 -5.36 115.29 116.66 1t62 s HIS 1165Ca 0.03 -0.19 0.19 0.00 -0.15 0.00 0.00 55.06 54.94 1t62 s HIS 1165Cb -0.14 -2.09 0.15 0.00 1.11 0.00 0.00 32.58 31.61 1t62 s HIS 1165CO -0.06 -0.06 1.09 1.58 -0.85 0.00 0.00 174.74 176.44