#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wc5 s PRO 1006N 0.00 4.41 0.10 -0.14 0.02 -1.26 -4.89 135.00 133.24 1wc5 s PRO 1006Ca 0.00 1.92 0.04 0.00 0.02 0.00 0.00 61.00 62.98 1wc5 s PRO 1006Cb 0.00 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1wc5 s PRO 1006CO 0.00 -0.27 -0.11 -1.83 -0.33 0.00 0.00 177.00 174.46 1wc5 s GLU 1007N 0.63 0.87 0.34 5.54 -1.05 -0.61 -4.87 118.70 119.56 1wc5 s GLU 1007Ca 0.59 -1.15 -0.24 0.00 -0.15 0.00 0.00 54.97 54.02 1wc5 s GLU 1007Cb -0.33 -0.61 -0.10 0.00 -0.44 0.00 0.00 34.13 32.64 1wc5 s GLU 1007CO 0.32 0.10 0.93 -1.25 0.95 0.00 0.00 175.26 176.32 1wc5 s PRO 1008N -2.66 4.48 0.05 -4.83 0.04 -1.26 -1.28 135.00 129.54 1wc5 s PRO 1008Ca 0.05 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.08 1wc5 s PRO 1008Cb -0.04 -2.65 0.09 0.00 0.04 0.00 0.00 34.50 31.94 1wc5 s PRO 1008CO 0.01 0.21 0.77 -0.98 0.04 0.00 0.00 177.00 177.04 1wc5 s ARG 1009N -2.33 1.00 -0.05 4.56 1.70 -1.06 -4.93 118.95 117.84 1wc5 s ARG 1009Ca 0.53 -0.31 -0.30 0.00 -0.47 0.00 0.00 55.73 55.18 1wc5 s ARG 1009Cb -0.16 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 1wc5 s ARG 1009CO 0.21 -0.43 1.09 -1.17 -1.08 0.00 0.00 175.30 173.93 1wc5 s LEU 1010N -2.44 4.30 0.14 -1.89 2.96 -1.26 -2.81 118.68 117.67 1wc5 s LEU 1010Ca 0.02 1.72 -0.06 0.00 -0.22 0.00 0.00 54.13 55.59 1wc5 s LEU 1010Cb -0.01 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1wc5 s LEU 1010CO -0.09 -0.46 0.19 0.27 -1.32 0.00 0.00 176.35 174.94 1wc5 s ILE 1011N 1.78 0.09 -0.17 6.68 -4.36 -0.54 -4.85 121.20 119.83 1wc5 s ILE 1011Ca 0.53 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 1wc5 s ILE 1011Cb -0.22 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.65 1wc5 s ILE 1011CO 0.23 -0.41 -0.17 -0.89 0.24 0.00 0.00 174.94 173.94 1wc5 s THR 1012N -3.98 2.41 -0.11 8.37 2.01 -0.49 -1.85 115.64 121.99 1wc5 s THR 1012Ca 0.18 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1wc5 s THR 1012Cb 0.05 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1wc5 s THR 1012CO -0.01 0.52 0.07 -0.63 -0.69 0.00 0.00 174.62 173.88 1wc5 s ILE 1013N 1.12 4.93 -0.05 1.82 1.09 -0.20 -1.56 121.20 128.35 1wc5 s ILE 1013Ca 0.00 -0.01 0.03 0.00 -1.10 0.00 0.00 60.65 59.58 1wc5 s ILE 1013Cb -0.14 -3.13 0.01 0.00 -1.06 0.00 0.00 42.46 38.13 1wc5 s ILE 1013CO -0.06 0.59 -0.12 -0.22 -0.10 0.00 0.00 174.94 175.03 1wc5 s LEU 1014N -0.80 1.73 -0.08 2.97 0.20 -0.60 -1.57 118.68 120.53 1wc5 s LEU 1014Ca 0.13 -0.28 0.04 0.00 0.69 0.00 0.00 54.13 54.71 1wc5 s LEU 1014Cb -0.12 -0.79 -0.01 0.00 -0.43 0.00 0.00 46.19 44.85 1wc5 s LEU 1014CO 0.03 0.07 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.58 1wc5 s PHE 1015N 0.42 2.57 -0.07 5.38 0.40 -0.26 -1.41 117.98 125.01 1wc5 s PHE 1015Ca -0.09 -0.77 0.04 0.00 -0.60 0.00 0.00 56.93 55.50 1wc5 s PHE 1015Cb -0.13 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.72 1wc5 s PHE 1015CO 0.03 -0.25 -0.18 0.45 0.70 0.00 0.00 175.22 175.97 1wc5 s SER 1016N 0.05 2.39 -0.09 1.36 0.15 -0.74 -1.69 113.70 115.13 1wc5 s SER 1016Ca -0.09 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 56.10 1wc5 s SER 1016Cb -0.15 -0.96 0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1wc5 s SER 1016CO 0.06 0.12 0.21 -0.62 1.20 0.00 0.00 173.24 174.20 1wc5 s ASP 1017N 0.34 -0.21 0.13 5.45 2.15 -0.69 0.31 116.67 124.16 1wc5 s ASP 1017Ca -0.13 0.43 -0.30 0.00 0.43 0.00 0.00 52.55 52.99 1wc5 s ASP 1017Cb -0.15 0.33 -0.07 0.00 -0.30 0.00 0.00 42.92 42.73 1wc5 s ASP 1017CO 0.05 -0.15 1.18 -0.63 -0.17 0.00 0.00 175.17 175.45 1wc5 s ILE 1018N 1.09 3.82 0.09 4.11 1.01 -1.18 -0.91 121.20 129.23 1wc5 s ILE 1018Ca -0.08 1.44 -0.28 0.00 0.00 0.00 0.00 60.65 61.73 1wc5 s ILE 1018Cb -0.10 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 1wc5 s ILE 1018CO -0.07 0.18 0.87 0.54 0.00 0.00 0.00 174.94 176.47 1wc5 s VAL 1019N 0.38 4.59 -1.37 2.92 0.11 0.15 -4.01 120.40 123.17 1wc5 s VAL 1019Ca 0.55 1.87 0.00 0.00 -2.93 0.00 0.00 61.98 61.46 1wc5 s VAL 1019Cb -0.31 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.32 1wc5 s VAL 1019CO 0.33 0.35 0.00 0.61 -3.33 0.00 0.00 175.10 173.06 1wc5 n GLY 1020N 2.27 -0.18 0.38 6.54 0.00 -1.26 -4.71 105.19 108.23 1wc5 n GLY 1020Ca -0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1wc5 n GLY 1020CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wc5 h PHE 1021N 0.00 0.80 -0.81 1.61 3.57 -1.96 -0.54 116.94 119.61 1wc5 h PHE 1021Ca -0.36 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.31 1wc5 h PHE 1021Cb 1.23 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 1wc5 h PHE 1021CO 0.62 0.15 0.53 1.15 -2.23 0.00 0.00 178.31 178.53 1wc5 h THR 1022N 0.55 0.82 0.00 4.41 2.02 -1.92 -0.49 112.91 118.29 1wc5 h THR 1022Ca 0.56 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.55 1wc5 h THR 1022Cb 1.17 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1wc5 h THR 1022CO -0.30 0.10 0.00 0.54 0.37 0.00 0.00 175.52 176.23 1wc5 n ARG 1023N -4.51 0.00 0.23 6.66 5.12 -0.21 -2.37 116.66 121.58 1wc5 n ARG 1023Ca 0.15 0.39 0.12 0.00 -1.93 0.00 0.00 57.85 56.58 1wc5 n ARG 1023Cb 0.49 -1.39 0.64 0.00 -1.16 0.00 0.00 32.46 31.05 1wc5 n ARG 1023CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wc5 h MET 1024N 0.00 0.00 0.00 5.56 -0.00 -1.65 -1.33 114.93 117.52 1wc5 h MET 1024Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1wc5 h MET 1024Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1wc5 h MET 1024CO 0.00 0.00 0.20 1.03 -0.00 0.00 0.00 176.91 178.14 1wc5 h SER 1025N 0.00 0.00 -4.06 -0.10 0.87 -0.70 -3.29 113.55 106.28 1wc5 h SER 1025Ca 0.00 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.88 1wc5 h SER 1025Cb 0.38 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.11 1wc5 h SER 1025CO 0.00 0.00 -0.87 0.21 -0.53 0.00 0.00 176.83 175.64 1wc5 s ASN 1026N -3.64 3.20 0.00 6.23 2.47 -0.50 -4.22 114.94 118.48 1wc5 s ASN 1026Ca -0.02 -0.69 0.00 0.00 0.42 0.00 0.00 52.86 52.57 1wc5 s ASN 1026Cb 0.05 -0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.61 1wc5 s ASN 1026CO 0.15 0.20 0.00 0.00 -3.72 0.00 0.00 177.10 173.73 1wc5 n ALA 1027N 1.22 0.00 0.00 1.71 0.00 -1.26 -4.68 120.51 117.50 1wc5 n ALA 1027Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1wc5 n ALA 1027Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1wc5 n ALA 1027CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wc5 n LEU 1028N 0.00 0.00 -0.42 0.00 7.94 -1.24 -5.11 117.00 118.17 1wc5 n LEU 1028Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1wc5 n LEU 1028Cb 0.02 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.96 1wc5 n LEU 1028CO 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 177.39 176.24 1wc5 n GLN 1029N -1.33 -0.30 0.00 1.96 10.64 -1.26 -2.31 117.38 124.78 1wc5 n GLN 1029Ca 0.00 0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 1wc5 n GLN 1029Cb 0.02 -0.64 0.00 0.00 -0.86 0.00 0.00 30.24 28.76 1wc5 n GLN 1029CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1wc5 n SER 1030N -4.21 0.00 -0.29 2.61 2.88 -1.26 0.20 113.62 113.55 1wc5 n SER 1030Ca -0.00 0.23 0.10 0.00 -1.33 0.00 0.00 58.87 57.86 1wc5 n SER 1030Cb 0.52 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.20 1wc5 n SER 1030CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1wc5 h GLN 1031N 0.00 0.10 0.43 -1.46 5.75 -1.99 0.13 115.11 118.06 1wc5 h GLN 1031Ca 0.00 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1wc5 h GLN 1031Cb 0.00 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1wc5 h GLN 1031CO 0.00 0.07 -0.20 0.78 -2.65 0.00 0.00 178.83 176.82 1wc5 h GLY 1032N 0.10 -0.60 1.00 2.39 0.00 -0.66 0.13 103.07 105.44 1wc5 h GLY 1032Ca 0.50 0.22 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1wc5 h GLY 1032CO -0.74 -0.22 0.36 -2.08 0.00 0.00 0.00 176.54 173.87 1wc5 h VAL 1033N -0.59 1.15 -0.15 4.60 2.07 0.91 -0.75 116.25 123.48 1wc5 h VAL 1033Ca -0.06 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1wc5 h VAL 1033Cb 0.45 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1wc5 h VAL 1033CO 0.10 0.14 -0.01 0.00 0.02 0.00 0.00 177.57 177.82 1wc5 h ALA 1034N 1.20 0.21 -0.46 1.67 0.00 -0.75 -1.09 119.26 120.04 1wc5 h ALA 1034Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wc5 h ALA 1034Cb -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1wc5 h ALA 1034CO -0.04 -0.07 0.25 1.49 0.00 0.00 0.00 179.25 180.87 1wc5 h GLU 1035N 0.01 0.64 0.21 0.00 4.81 -0.62 0.13 114.58 119.76 1wc5 h GLU 1035Ca 0.04 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1wc5 h GLU 1035Cb 0.40 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1wc5 h GLU 1035CO 0.01 0.51 -0.10 1.25 -0.73 0.00 0.00 179.01 179.94 1wc5 h LEU 1036N 0.60 -0.24 -0.07 1.64 6.46 -1.14 -2.60 115.31 119.95 1wc5 h LEU 1036Ca 0.16 -0.22 0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1wc5 h LEU 1036Cb 0.05 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1wc5 h LEU 1036CO -0.03 0.11 -0.14 0.25 -0.62 0.00 0.00 178.44 178.02 1wc5 h LEU 1037N -0.63 -0.41 -1.17 2.25 6.46 -1.16 0.14 115.31 120.78 1wc5 h LEU 1037Ca -0.03 0.07 0.13 0.00 -0.12 0.00 0.00 57.88 57.93 1wc5 h LEU 1037Cb 0.45 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.50 1wc5 h LEU 1037CO 0.05 -0.18 0.60 0.78 -0.62 0.00 0.00 178.44 179.06 1wc5 h ASN 1038N -0.19 0.77 -0.01 1.25 2.35 -1.01 -0.52 115.58 118.22 1wc5 h ASN 1038Ca 0.07 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1wc5 h ASN 1038Cb 0.29 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1wc5 h ASN 1038CO -0.19 0.40 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.63 1wc5 h GLU 1039N 0.83 0.05 -0.52 0.81 5.08 -0.94 -1.83 114.58 118.06 1wc5 h GLU 1039Ca 0.46 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.89 1wc5 h GLU 1039Cb 0.60 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 1wc5 h GLU 1039CO -0.23 0.64 -0.16 -0.92 -1.00 0.00 0.00 179.01 177.35 1wc5 h TYR 1040N -0.54 -0.35 -0.15 4.33 3.20 -0.22 -0.70 116.97 122.54 1wc5 h TYR 1040Ca -0.00 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 1wc5 h TYR 1040Cb 0.64 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1wc5 h TYR 1040CO 0.13 -0.25 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.09 1wc5 h LEU 1041N -0.03 0.27 -0.87 2.82 3.38 -1.15 -2.39 115.31 117.33 1wc5 h LEU 1041Ca 0.25 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1wc5 h LEU 1041Cb 0.41 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1wc5 h LEU 1041CO -0.55 0.52 0.58 1.23 0.09 0.00 0.00 178.44 180.31 1wc5 h GLY 1042N 0.96 1.23 0.43 0.83 0.00 -0.24 -1.07 103.07 105.21 1wc5 h GLY 1042Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1wc5 h GLY 1042CO 0.04 0.44 -0.06 0.83 0.00 0.00 0.00 176.54 177.79 1wc5 h GLU 1043N 1.17 -0.16 -0.97 4.80 4.39 -1.26 -2.83 114.58 119.72 1wc5 h GLU 1043Ca 0.32 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.15 1wc5 h GLU 1043Cb -0.13 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.48 1wc5 h GLU 1043CO -0.07 0.30 0.60 0.52 -1.16 0.00 0.00 179.01 179.20 1wc5 h MET 1044N -0.74 0.92 -0.16 2.33 2.86 -1.33 0.34 114.93 119.16 1wc5 h MET 1044Ca -0.02 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 1wc5 h MET 1044Cb 0.54 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1wc5 h MET 1044CO 0.03 0.61 -0.45 1.79 1.06 0.00 0.00 176.91 179.95 1wc5 h THR 1045N 0.95 1.32 -0.77 2.22 1.35 -1.29 -1.77 112.91 114.93 1wc5 h THR 1045Ca 0.48 -1.63 -0.03 0.00 -0.55 0.00 0.00 66.41 64.68 1wc5 h THR 1045Cb 0.48 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 68.56 1wc5 h THR 1045CO -0.27 0.50 0.37 -0.09 -0.25 0.00 0.00 175.52 175.78 1wc5 h ARG 1046N 0.31 1.10 -0.66 4.72 2.43 -0.55 -0.15 114.38 121.59 1wc5 h ARG 1046Ca 0.02 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1wc5 h ARG 1046Cb 0.91 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1wc5 h ARG 1046CO 0.08 0.86 0.25 0.00 -1.51 0.00 0.00 179.97 179.65 1wc5 h ALA 1047N 1.19 0.85 0.08 2.80 0.00 0.03 -1.72 119.26 122.49 1wc5 h ALA 1047Ca 0.26 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wc5 h ALA 1047Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wc5 h ALA 1047CO -0.03 0.48 -0.04 0.28 0.00 0.00 0.00 179.25 179.94 1wc5 h VAL 1048N 0.93 1.13 -0.96 0.00 2.07 -0.84 -2.83 116.25 115.76 1wc5 h VAL 1048Ca 0.22 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1wc5 h VAL 1048Cb 0.23 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1wc5 h VAL 1048CO -0.02 0.18 0.58 -0.26 0.02 0.00 0.00 177.57 178.08 1wc5 h PHE 1049N -0.44 1.26 -0.25 1.57 0.05 -1.02 0.33 116.94 118.43 1wc5 h PHE 1049Ca -0.01 -0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.73 1wc5 h PHE 1049Cb 0.38 -0.41 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 1wc5 h PHE 1049CO 0.04 0.83 -0.06 0.93 -0.18 0.00 0.00 178.31 179.87 1wc5 h GLU 1050N 1.32 0.39 -0.97 1.51 5.08 -1.33 -2.16 114.58 118.43 1wc5 h GLU 1050Ca 0.34 -0.09 -0.26 0.00 -1.00 0.00 0.00 59.36 58.36 1wc5 h GLU 1050Cb -0.06 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 28.98 1wc5 h GLU 1050CO -0.07 0.47 0.33 0.09 -1.00 0.00 0.00 179.01 178.84 1wc5 n ASN 1051N -4.28 3.48 -1.56 1.42 3.02 -0.91 -4.85 115.26 111.59 1wc5 n ASN 1051Ca 0.00 -2.88 -0.19 0.00 -0.03 0.00 0.00 54.58 51.48 1wc5 n ASN 1051Cb 0.26 -0.68 -0.08 0.00 -0.61 0.00 0.00 39.78 38.66 1wc5 n ASN 1051CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wc5 n GLN 1052N -0.34 -1.37 -2.48 3.52 1.13 -0.81 -4.78 117.38 112.24 1wc5 n GLN 1052Ca 0.32 1.17 -0.25 0.00 -1.94 0.00 0.00 57.00 56.30 1wc5 n GLN 1052Cb 1.13 -5.51 0.12 0.00 0.11 0.00 0.00 30.24 26.09 1wc5 n GLN 1052CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1wc5 s GLY 1053N -2.74 1.76 -0.06 1.08 0.00 0.11 -4.93 107.32 102.54 1wc5 s GLY 1053Ca 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 43.07 1wc5 s GLY 1053CO 0.00 -1.06 -0.15 -1.59 0.00 0.00 0.00 173.10 170.30 1wc5 s THR 1054N -3.28 1.30 -0.63 0.90 2.01 -0.54 -4.35 115.64 111.05 1wc5 s THR 1054Ca 0.68 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 1wc5 s THR 1054Cb -0.05 -1.16 0.07 0.00 0.01 0.00 0.00 72.50 71.37 1wc5 s THR 1054CO 0.46 0.39 0.91 -0.69 -0.69 0.00 0.00 174.62 175.00 1wc5 s VAL 1055N 0.47 4.42 0.07 3.82 1.01 -1.26 0.05 120.40 128.97 1wc5 s VAL 1055Ca -0.12 -0.40 -0.33 0.00 0.00 0.00 0.00 61.98 61.13 1wc5 s VAL 1055Cb -0.15 -4.63 -0.19 0.00 0.00 0.00 0.00 36.38 31.41 1wc5 s VAL 1055CO 0.04 -1.35 1.60 -0.78 0.00 0.00 0.00 175.10 174.61 1wc5 h ASP 1056N 9.47 -0.77 -5.36 3.32 1.82 -0.38 -3.48 116.42 121.03 1wc5 h ASP 1056Ca -0.29 0.02 0.23 0.00 -0.39 0.00 0.00 57.03 56.61 1wc5 h ASP 1056Cb 1.07 0.20 -0.11 0.00 0.68 0.00 0.00 39.33 41.17 1wc5 h ASP 1056CO 1.15 -0.54 0.64 -1.59 -1.61 0.00 0.00 179.24 177.29 1wc5 s LYS 1057N -5.99 0.80 -0.03 0.28 -2.85 -1.13 -4.95 119.74 105.87 1wc5 s LYS 1057Ca -0.18 -0.42 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1wc5 s LYS 1057Cb 0.03 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 1wc5 s LYS 1057CO 0.61 -0.36 0.02 -0.06 0.10 0.00 0.00 175.35 175.66 1wc5 s PHE 1058N -2.89 3.15 -0.40 1.78 2.99 -1.26 -1.37 117.98 119.99 1wc5 s PHE 1058Ca 0.12 0.14 0.01 0.00 0.00 0.00 0.00 56.93 57.21 1wc5 s PHE 1058Cb 0.01 -1.72 0.13 0.00 0.00 0.00 0.00 43.02 41.44 1wc5 s PHE 1058CO -0.02 0.49 0.19 0.08 -0.00 0.00 0.00 175.22 175.97 1wc5 s VAL 1059N -1.05 1.16 0.00 -0.44 1.01 -0.23 -4.97 120.40 115.88 1wc5 s VAL 1059Ca 0.18 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1wc5 s VAL 1059Cb -0.12 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.43 1wc5 s VAL 1059CO 0.09 -0.84 0.00 0.61 0.00 0.00 0.00 175.10 174.96 1wc5 n GLY 1060N 3.95 3.32 1.79 4.51 0.00 -1.26 -0.69 105.19 116.82 1wc5 n GLY 1060Ca 0.06 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1wc5 n GLY 1060CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wc5 n ASP 1061N 8.20 5.40 -4.80 1.61 5.75 -1.26 -4.93 116.55 126.53 1wc5 n ASP 1061Ca 0.00 -2.85 -0.26 0.00 -0.01 0.00 0.00 54.79 51.67 1wc5 n ASP 1061Cb 0.00 -0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 39.37 1wc5 n ASP 1061CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wc5 s ALA 1062N -2.61 3.57 0.03 2.12 0.00 0.14 -3.12 121.76 121.89 1wc5 s ALA 1062Ca 0.51 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 51.32 1wc5 s ALA 1062Cb 0.39 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1wc5 s ALA 1062CO 0.15 0.50 -0.20 0.42 0.00 0.00 0.00 175.76 176.63 1wc5 s ILE 1063N -1.76 1.62 -0.26 0.00 1.01 0.15 -1.06 121.20 120.91 1wc5 s ILE 1063Ca 0.31 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1wc5 s ILE 1063Cb -0.10 -1.40 0.07 0.00 0.01 0.00 0.00 42.46 41.04 1wc5 s ILE 1063CO 0.23 0.26 0.00 -0.32 0.00 0.00 0.00 174.94 175.11 1wc5 s MET 1064N -1.00 1.29 0.09 2.79 1.75 -0.47 -1.78 119.30 121.96 1wc5 s MET 1064Ca 0.07 -1.02 0.06 0.00 -1.25 0.00 0.00 55.69 53.55 1wc5 s MET 1064Cb -0.08 -2.47 -0.04 0.00 2.84 0.00 0.00 34.83 35.07 1wc5 s MET 1064CO 0.01 -0.72 -0.04 0.00 -0.65 0.00 0.00 175.02 173.62 1wc5 s ALA 1065N 1.45 3.15 0.13 4.11 0.00 -0.50 0.41 121.76 130.51 1wc5 s ALA 1065Ca -0.00 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 50.88 1wc5 s ALA 1065Cb -0.18 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1wc5 s ALA 1065CO -0.10 0.67 -0.20 -0.51 0.00 0.00 0.00 175.76 175.62 1wc5 s LEU 1066N -2.22 2.36 -0.06 0.00 1.43 0.11 -1.55 118.68 118.75 1wc5 s LEU 1066Ca 0.24 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1wc5 s LEU 1066Cb -0.11 -0.90 0.03 0.00 0.03 0.00 0.00 46.19 45.23 1wc5 s LEU 1066CO 0.16 0.03 -0.01 -0.31 0.23 0.00 0.00 176.35 176.45 1wc5 s TYR 1067N -1.52 0.66 0.00 0.29 1.51 -0.60 -1.47 117.35 116.22 1wc5 s TYR 1067Ca 0.11 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1wc5 s TYR 1067Cb -0.08 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 1wc5 s TYR 1067CO 0.06 -0.26 0.00 0.41 -1.11 0.00 0.00 175.55 174.64 1wc5 n GLY 1068N 4.67 0.70 3.40 0.71 0.00 -1.25 -1.40 105.19 112.01 1wc5 n GLY 1068Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1wc5 n GLY 1068CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wc5 s ALA 1069N -2.00 -1.26 -1.07 4.61 0.00 -1.26 -3.98 121.76 116.80 1wc5 s ALA 1069Ca 0.00 1.29 0.22 0.00 0.00 0.00 0.00 51.96 53.47 1wc5 s ALA 1069Cb 0.00 -0.63 0.98 0.00 0.00 0.00 0.00 23.12 23.47 1wc5 s ALA 1069CO 0.00 -0.26 1.72 -0.35 0.00 0.00 0.00 175.76 176.87 1wc5 n PRO 1070N 2.40 0.06 -3.27 0.00 -0.04 -1.26 -4.76 135.00 128.13 1wc5 n PRO 1070Ca -0.15 0.11 -0.40 0.00 -0.04 0.00 0.00 63.50 63.02 1wc5 n PRO 1070Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1wc5 n PRO 1070CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1wc5 s GLU 1071N -2.93 3.87 0.17 0.54 0.41 -1.26 -5.03 118.70 114.47 1wc5 s GLU 1071Ca 0.13 0.06 -0.31 0.00 -0.41 0.00 0.00 54.97 54.44 1wc5 s GLU 1071Cb 0.15 -3.72 -0.17 0.00 -1.78 0.00 0.00 34.13 28.61 1wc5 s GLU 1071CO 0.39 -0.46 0.80 -1.91 -0.49 0.00 0.00 175.26 173.59 1wc5 n GLU 1072N 5.59 0.39 -3.74 1.61 4.07 -1.26 -3.89 120.64 123.41 1wc5 n GLU 1072Ca -0.05 0.14 -0.13 0.00 -0.06 0.00 0.00 57.16 57.05 1wc5 n GLU 1072Cb 0.50 -1.37 -0.10 0.00 -0.06 0.00 0.00 31.44 30.41 1wc5 n GLU 1072CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 1wc5 s MET 1073N -0.78 0.50 0.37 5.31 1.75 -1.26 -4.88 119.30 120.30 1wc5 s MET 1073Ca 0.70 0.45 -0.27 0.00 -1.25 0.00 0.00 55.69 55.32 1wc5 s MET 1073Cb -0.95 0.24 -0.09 0.00 2.84 0.00 0.00 34.83 36.87 1wc5 s MET 1073CO 0.56 -0.08 1.24 -1.54 -0.65 0.00 0.00 175.02 174.55 1wc5 s SER 1074N -0.01 6.61 0.28 1.11 1.04 -1.26 -4.76 113.70 116.71 1wc5 s SER 1074Ca -0.02 2.52 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 1wc5 s SER 1074Cb -0.03 -2.63 0.65 0.00 0.10 0.00 0.00 66.02 64.11 1wc5 s SER 1074CO 0.01 -0.63 1.61 -0.65 0.98 0.00 0.00 173.24 174.56 1wc5 h PRO 1075N 2.98 0.08 -0.28 4.02 0.11 -1.99 0.28 132.00 137.19 1wc5 h PRO 1075Ca -0.49 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1wc5 h PRO 1075Cb 1.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1wc5 h PRO 1075CO 0.64 0.05 0.05 0.77 -0.21 0.00 0.00 178.00 179.30 1wc5 h SER 1076N 0.08 0.44 -0.25 -2.05 0.02 -2.00 -2.96 113.55 106.82 1wc5 h SER 1076Ca 0.53 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1wc5 h SER 1076Cb 1.05 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1wc5 h SER 1076CO -0.79 0.59 0.15 -0.33 -1.14 0.00 0.00 176.83 175.30 1wc5 h GLU 1077N 0.28 0.35 -0.43 3.45 4.39 -1.22 -0.44 114.58 120.96 1wc5 h GLU 1077Ca 0.09 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1wc5 h GLU 1077Cb 0.33 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.82 1wc5 h GLU 1077CO 0.00 0.29 -0.50 1.96 -1.16 0.00 0.00 179.01 179.60 1wc5 h GLN 1078N 0.31 -0.34 -0.37 2.33 4.20 -0.52 -0.73 115.11 119.99 1wc5 h GLN 1078Ca 0.09 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 1wc5 h GLN 1078Cb 0.04 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1wc5 h GLN 1078CO -0.02 -0.23 -0.11 0.28 -0.67 0.00 0.00 178.83 178.09 1wc5 h VAL 1079N -0.35 1.28 -0.68 -0.54 2.07 -1.43 -2.28 116.25 114.31 1wc5 h VAL 1079Ca 0.11 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.48 1wc5 h VAL 1079Cb 0.59 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1wc5 h VAL 1079CO -0.61 0.39 0.40 -0.09 0.02 0.00 0.00 177.57 177.69 1wc5 h ARG 1080N 0.52 0.73 -0.16 1.57 2.43 -0.68 -0.68 114.38 118.10 1wc5 h ARG 1080Ca 0.09 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1wc5 h ARG 1080Cb 0.63 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1wc5 h ARG 1080CO 0.04 0.48 -0.17 0.00 -1.51 0.00 0.00 179.97 178.81 1wc5 h ARG 1081N 0.75 0.40 -0.64 0.20 3.08 -1.15 -1.11 114.38 115.92 1wc5 h ARG 1081Ca 0.30 -0.21 0.10 0.00 0.07 0.00 0.00 59.98 60.23 1wc5 h ARG 1081Cb 0.13 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 1wc5 h ARG 1081CO -0.16 0.78 0.24 0.00 -1.07 0.00 0.00 179.97 179.77 1wc5 h ALA 1082N 0.61 0.83 -0.31 0.04 0.00 -1.14 0.59 119.26 119.88 1wc5 h ALA 1082Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1wc5 h ALA 1082Cb 0.71 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1wc5 h ALA 1082CO 0.04 -0.18 -0.08 0.82 0.00 0.00 0.00 179.25 179.85 1wc5 h ILE 1083N 0.43 1.28 -0.78 0.00 2.04 -1.09 -0.92 117.51 118.47 1wc5 h ILE 1083Ca 0.32 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 65.12 1wc5 h ILE 1083Cb 0.41 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1wc5 h ILE 1083CO -0.32 0.36 0.46 0.00 0.00 0.00 0.00 178.15 178.66 1wc5 h ALA 1084N 0.79 1.07 -0.02 1.87 0.00 0.01 0.26 119.26 123.24 1wc5 h ALA 1084Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wc5 h ALA 1084Cb 0.58 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wc5 h ALA 1084CO 0.03 0.15 0.01 1.15 0.00 0.00 0.00 179.25 180.60 1wc5 h THR 1085N 0.83 1.02 -0.72 0.00 2.02 0.48 0.13 112.91 116.67 1wc5 h THR 1085Ca 0.35 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.51 1wc5 h THR 1085Cb 0.22 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1wc5 h THR 1085CO -0.19 0.02 0.45 0.00 0.37 0.00 0.00 175.52 176.16 1wc5 h ALA 1086N 0.99 0.95 -0.12 6.16 0.00 -0.44 0.25 119.26 127.04 1wc5 h ALA 1086Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1wc5 h ALA 1086Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1wc5 h ALA 1086CO -0.00 0.22 -0.36 0.00 0.00 0.00 0.00 179.25 179.11 1wc5 h ARG 1087N 0.87 0.25 -0.09 0.00 3.08 -0.74 -2.86 114.38 114.89 1wc5 h ARG 1087Ca 0.29 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1wc5 h ARG 1087Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1wc5 h ARG 1087CO -0.12 0.58 -0.21 0.37 -1.07 0.00 0.00 179.97 179.52 1wc5 h GLN 1088N 0.21 0.29 -0.85 0.04 4.15 0.62 -3.09 115.11 116.48 1wc5 h GLN 1088Ca 0.02 -0.20 0.13 0.00 0.77 0.00 0.00 58.65 59.37 1wc5 h GLN 1088Cb 0.73 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.37 1wc5 h GLN 1088CO 0.06 0.81 0.46 0.52 -1.93 0.00 0.00 178.83 178.74 1wc5 h MET 1089N -0.18 0.68 -0.86 1.69 2.86 -0.52 -1.17 114.93 117.43 1wc5 h MET 1089Ca -0.00 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1wc5 h MET 1089Cb 0.81 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 1wc5 h MET 1089CO 0.05 0.45 0.56 -0.07 1.06 0.00 0.00 176.91 178.96 1wc5 h LEU 1090N 0.70 0.95 -1.47 1.22 3.38 -1.51 -0.81 115.31 117.76 1wc5 h LEU 1090Ca 0.44 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1wc5 h LEU 1090Cb 0.55 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1wc5 h LEU 1090CO -0.32 0.66 -0.01 0.58 0.09 0.00 0.00 178.44 179.45 1wc5 h VAL 1091N 1.11 1.15 -0.07 1.22 2.07 -1.14 -2.35 116.25 118.24 1wc5 h VAL 1091Ca 0.34 -0.57 -0.22 0.00 0.82 0.00 0.00 66.70 67.06 1wc5 h VAL 1091Cb -0.04 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1wc5 h VAL 1091CO -0.10 0.19 -0.85 0.00 0.02 0.00 0.00 177.57 176.83 1wc5 h ALA 1092N 1.68 0.37 -0.76 1.67 0.00 -0.81 -3.14 119.26 118.27 1wc5 h ALA 1092Ca 0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1wc5 h ALA 1092Cb 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1wc5 h ALA 1092CO 0.01 0.74 0.32 1.25 0.00 0.00 0.00 179.25 181.56 1wc5 h LEU 1093N 0.37 1.02 -1.00 0.00 5.85 -0.71 0.26 115.31 121.10 1wc5 h LEU 1093Ca -0.07 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 1wc5 h LEU 1093Cb 1.47 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1wc5 h LEU 1093CO 0.16 0.89 -0.15 1.05 -0.34 0.00 0.00 178.44 180.05 1wc5 h GLU 1094N 1.09 0.55 0.20 1.25 -0.00 -1.47 -1.83 114.58 114.36 1wc5 h GLU 1094Ca 0.26 -0.17 -0.31 0.00 -0.00 0.00 0.00 59.36 59.13 1wc5 h GLU 1094Cb 0.17 -0.05 0.02 0.00 -0.00 0.00 0.00 28.75 28.90 1wc5 h GLU 1094CO -0.03 0.68 -1.37 -0.22 -0.00 0.00 0.00 179.01 178.08 1wc5 h LYS 1095N 0.50 0.42 -0.38 1.06 3.64 -1.38 -2.90 116.57 117.52 1wc5 h LYS 1095Ca 0.09 -0.71 -0.05 0.00 -1.27 0.00 0.00 60.65 58.71 1wc5 h LYS 1095Cb 0.55 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1wc5 h LYS 1095CO 0.04 1.34 0.02 -0.07 -2.27 0.00 0.00 179.45 178.50 1wc5 h LEU 1096N 0.11 0.55 -1.30 5.20 3.38 -0.41 0.15 115.31 123.00 1wc5 h LEU 1096Ca -0.20 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1wc5 h LEU 1096Cb 2.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1wc5 h LEU 1096CO 0.24 0.61 -0.28 0.78 0.09 0.00 0.00 178.44 179.89 1wc5 h ASN 1097N 0.56 0.00 1.87 -0.43 2.35 -1.38 0.32 115.58 118.88 1wc5 h ASN 1097Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1wc5 h ASN 1097Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1wc5 h ASN 1097CO 0.01 0.28 -0.09 -0.61 -1.65 0.00 0.00 177.43 175.37 1wc5 h GLN 1098N 0.00 0.00 0.04 0.81 5.75 -0.78 -1.06 115.11 119.87 1wc5 h GLN 1098Ca -0.00 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.18 1wc5 h GLN 1098Cb 0.67 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 1wc5 h GLN 1098CO 0.04 0.00 -1.84 0.41 -2.65 0.00 0.00 178.83 174.78 1wc5 n GLY 1099N 1.12 -0.84 0.12 2.39 0.00 0.32 -4.02 105.19 104.28 1wc5 n GLY 1099Ca 0.04 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.94 1wc5 n GLY 1099CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1wc5 h TRP 1100N 0.03 0.00 -0.22 1.61 6.55 -0.47 -3.35 115.95 120.10 1wc5 h TRP 1100Ca -0.35 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.48 1wc5 h TRP 1100Cb 2.03 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 30.32 1wc5 h TRP 1100CO 0.03 0.52 0.07 0.37 -1.05 0.00 0.00 178.44 178.37 1wc5 h GLN 1101N 0.00 0.34 -1.14 0.49 5.75 -1.35 -1.94 115.11 117.26 1wc5 h GLN 1101Ca -0.07 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.28 1wc5 h GLN 1101Cb 1.45 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.91 1wc5 h GLN 1101CO 0.06 0.43 0.10 0.39 -2.65 0.00 0.00 178.83 177.16 1wc5 n GLU 1102N -4.78 1.20 0.00 1.69 4.71 -1.26 -2.49 120.64 119.71 1wc5 n GLU 1102Ca -0.04 -0.45 0.00 0.00 -0.01 0.00 0.00 57.16 56.66 1wc5 n GLU 1102Cb 0.16 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1wc5 n GLU 1102CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1wc5 n ARG 1103N 0.40 0.22 0.00 3.49 1.74 -0.78 -5.01 116.66 116.71 1wc5 n ARG 1103Ca 0.09 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1wc5 n ARG 1103Cb 0.65 -0.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 1wc5 n ARG 1103CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wc5 n GLY 1104N 0.04 2.42 0.00 -0.13 0.00 -0.91 -4.80 105.19 101.81 1wc5 n GLY 1104Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wc5 n GLY 1104CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wc5 n LEU 1105N 0.00 0.00 -3.51 0.99 4.77 -1.10 -4.03 117.00 114.11 1wc5 n LEU 1105Ca 0.00 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 56.02 1wc5 n LEU 1105Cb 0.00 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 1wc5 n LEU 1105CO 0.00 -0.25 -0.24 -0.69 -1.33 0.00 0.00 177.39 174.88 1wc5 s VAL 1106N -2.50 -0.25 0.00 4.08 1.01 -1.23 -5.01 120.40 116.50 1wc5 s VAL 1106Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1wc5 s VAL 1106Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1wc5 s VAL 1106CO 0.00 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1wc5 n GLY 1107N 5.30 1.35 1.08 4.51 0.00 -1.26 -4.66 105.19 111.51 1wc5 n GLY 1107Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1wc5 n GLY 1107CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wc5 n GLU 1110N 0.13 0.00 -3.76 1.61 -0.58 -1.26 -4.93 120.64 111.85 1wc5 n GLU 1110Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1wc5 n GLU 1110Cb 0.00 -0.44 -0.16 0.00 -0.57 0.00 0.00 31.44 30.28 1wc5 n GLU 1110CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wc5 s VAL 1111N 0.00 -0.06 0.86 2.62 1.01 -1.26 -4.99 120.40 118.58 1wc5 s VAL 1111Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 1wc5 s VAL 1111Cb 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 36.38 36.39 1wc5 s VAL 1111CO 0.00 0.09 1.21 -2.16 0.00 0.00 0.00 175.10 174.24 1wc5 s PRO 1112N 1.19 1.34 1.31 2.72 0.04 -1.26 -4.73 135.00 135.60 1wc5 s PRO 1112Ca -0.08 -0.29 -0.22 0.00 0.04 0.00 0.00 61.00 60.45 1wc5 s PRO 1112Cb -0.13 -1.96 0.33 0.00 0.04 0.00 0.00 34.50 32.79 1wc5 s PRO 1112CO -0.04 -1.93 0.99 -0.35 0.04 0.00 0.00 177.00 175.71 1wc5 n PRO 1113N -3.44 -3.82 -3.82 0.56 -0.04 -1.26 -4.69 135.00 118.49 1wc5 n PRO 1113Ca 0.12 -1.61 -0.36 0.00 -0.04 0.00 0.00 63.50 61.61 1wc5 n PRO 1113Cb 0.60 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 1wc5 n PRO 1113CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wc5 s VAL 1114N -2.61 5.39 0.12 0.52 1.01 -1.26 -5.09 120.40 118.48 1wc5 s VAL 1114Ca 0.68 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.91 1wc5 s VAL 1114Cb -0.09 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1wc5 s VAL 1114CO 0.54 0.51 -0.15 -0.13 0.00 0.00 0.00 175.10 175.87 1wc5 s ARG 1115N -0.20 1.06 0.12 2.72 0.52 -1.26 -4.92 118.95 116.98 1wc5 s ARG 1115Ca 0.11 -1.23 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 1wc5 s ARG 1115Cb -0.11 -1.01 -0.04 0.00 0.52 0.00 0.00 34.95 34.30 1wc5 s ARG 1115CO 0.01 0.20 -0.10 -0.59 0.02 0.00 0.00 175.30 174.84 1wc5 s PHE 1116N -1.95 1.17 -0.12 -0.53 -0.12 -1.26 -0.67 117.98 114.50 1wc5 s PHE 1116Ca 0.09 -0.71 -0.03 0.00 -0.05 0.00 0.00 56.93 56.23 1wc5 s PHE 1116Cb -0.06 -0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 41.68 1wc5 s PHE 1116CO 0.04 0.04 -0.02 1.03 -0.05 0.00 0.00 175.22 176.25 1wc5 s ARG 1117N -3.27 3.32 -0.05 1.99 0.52 -0.09 -0.32 118.95 121.05 1wc5 s ARG 1117Ca 0.11 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 1wc5 s ARG 1117Cb -0.00 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.62 1wc5 s ARG 1117CO 0.00 0.47 -0.15 0.00 0.02 0.00 0.00 175.30 175.65 1wc5 s GLY 1119N 0.22 0.68 0.02 0.00 0.00 -0.68 -0.41 107.32 107.15 1wc5 s GLY 1119Ca -0.07 -0.42 0.05 0.00 0.00 0.00 0.00 44.72 44.28 1wc5 s GLY 1119CO 0.02 -0.09 -0.14 -0.42 0.00 0.00 0.00 173.10 172.47 1wc5 s ILE 1120N 0.28 1.15 0.07 0.90 1.01 -0.71 -1.10 121.20 122.80 1wc5 s ILE 1120Ca -0.06 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 1wc5 s ILE 1120Cb -0.11 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1wc5 s ILE 1120CO 0.01 0.14 0.33 -2.28 0.00 0.00 0.00 174.94 173.15 1wc5 s HIS 1121N -0.64 -0.13 -0.08 3.97 2.46 -0.61 -2.79 115.29 117.48 1wc5 s HIS 1121Ca 0.04 -0.08 0.00 0.00 0.47 0.00 0.00 55.06 55.48 1wc5 s HIS 1121Cb -0.07 0.14 0.02 0.00 -0.13 0.00 0.00 32.58 32.54 1wc5 s HIS 1121CO 0.01 -0.58 -0.06 -1.14 -2.47 0.00 0.00 174.74 170.50 1wc5 s GLN 1122N -3.07 1.17 0.00 2.88 0.74 -1.26 -1.03 119.66 119.09 1wc5 s GLN 1122Ca -0.01 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.23 1wc5 s GLN 1122Cb 0.01 -1.21 0.00 0.00 1.10 0.00 0.00 33.01 32.91 1wc5 s GLN 1122CO -0.07 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.92 1wc5 n GLY 1123N 4.51 1.08 3.87 2.59 0.00 -0.77 -4.86 105.19 111.60 1wc5 n GLY 1123Ca -0.17 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1wc5 n GLY 1123CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wc5 s MET 1124N -1.95 3.84 -0.24 1.61 -1.94 -1.26 -1.47 119.30 117.88 1wc5 s MET 1124Ca 0.00 0.59 -0.26 0.00 -1.71 0.00 0.00 55.69 54.30 1wc5 s MET 1124Cb 0.00 -2.35 0.11 0.00 2.01 0.00 0.00 34.83 34.61 1wc5 s MET 1124CO 0.00 -0.06 0.96 0.00 -0.01 0.00 0.00 175.02 175.91 1wc5 s ALA 1125N -2.38 -1.93 -0.63 3.03 0.00 -1.12 -4.17 121.76 114.56 1wc5 s ALA 1125Ca 0.53 1.80 -0.28 0.00 0.00 0.00 0.00 51.96 54.02 1wc5 s ALA 1125Cb -0.10 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.87 1wc5 s ALA 1125CO 0.30 -0.27 1.32 0.08 0.00 0.00 0.00 175.76 177.19 1wc5 s VAL 1126N -0.11 3.81 -0.04 0.00 1.01 0.04 -2.56 120.40 122.55 1wc5 s VAL 1126Ca 0.01 0.63 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 1wc5 s VAL 1126Cb -0.04 -4.67 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 1wc5 s VAL 1126CO -0.03 -1.46 0.24 -0.69 0.00 0.00 0.00 175.10 173.16 1wc5 s VAL 1127N 5.76 5.34 -5.00 2.92 1.01 -0.40 -1.98 120.40 128.06 1wc5 s VAL 1127Ca 0.44 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1wc5 s VAL 1127Cb -0.09 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1wc5 s VAL 1127CO 0.21 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1wc5 n GLY 1128N 1.53 -0.73 3.66 4.51 0.00 -1.04 -1.57 105.19 111.55 1wc5 n GLY 1128Ca -0.15 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1wc5 n GLY 1128CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wc5 s LEU 1129N 0.00 4.12 0.01 0.99 1.43 -1.26 -2.34 118.68 121.64 1wc5 s LEU 1129Ca 0.00 1.27 0.07 0.00 -1.03 0.00 0.00 54.13 54.43 1wc5 s LEU 1129Cb 0.00 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1wc5 s LEU 1129CO 0.00 -0.55 -0.19 -0.36 0.23 0.00 0.00 176.35 175.48 1wc5 s PHE 1130N 2.78 2.54 -3.48 0.29 0.40 0.14 -4.75 117.98 115.90 1wc5 s PHE 1130Ca 0.41 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.47 1wc5 s PHE 1130Cb -0.16 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 41.87 1wc5 s PHE 1130CO 0.09 0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.60 1wc5 n GLY 1131N 1.88 0.63 3.39 4.36 0.00 -1.26 -0.72 105.19 113.47 1wc5 n GLY 1131Ca -0.16 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 1wc5 n GLY 1131CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wc5 n SER 1132N 0.00 2.84 0.00 1.61 3.41 0.17 -4.89 113.62 116.76 1wc5 n SER 1132Ca 0.00 -2.83 0.14 0.00 -0.26 0.00 0.00 58.87 55.93 1wc5 n SER 1132Cb 0.00 0.10 0.80 0.00 -0.26 0.00 0.00 64.21 64.84 1wc5 n SER 1132CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wc5 n GLN 1133N -1.48 0.67 -0.05 4.33 6.02 -1.26 -2.66 117.38 122.95 1wc5 n GLN 1133Ca -0.08 0.01 -0.01 0.00 -0.01 0.00 0.00 57.00 56.91 1wc5 n GLN 1133Cb 0.57 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.21 1wc5 n GLN 1133CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wc5 n GLU 1134N -1.14 1.12 -3.31 -1.09 4.71 -1.26 -4.94 120.64 114.74 1wc5 n GLU 1134Ca 0.18 -0.06 0.02 0.00 -0.01 0.00 0.00 57.16 57.29 1wc5 n GLU 1134Cb 0.16 -1.39 -0.02 0.00 -1.01 0.00 0.00 31.44 29.18 1wc5 n GLU 1134CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1wc5 s ARG 1135N -2.67 0.56 -0.07 3.49 6.06 -1.09 -5.16 118.95 120.09 1wc5 s ARG 1135Ca -0.07 1.14 -0.06 0.00 -2.50 0.00 0.00 55.73 54.24 1wc5 s ARG 1135Cb 0.07 0.63 0.02 0.00 0.06 0.00 0.00 34.95 35.73 1wc5 s ARG 1135CO 0.64 -0.49 0.17 -1.54 -2.50 0.00 0.00 175.30 171.58 1wc5 s SER 1136N 2.86 -0.18 0.15 -2.12 1.04 -1.21 0.41 113.70 114.66 1wc5 s SER 1136Ca 0.12 0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.98 1wc5 s SER 1136Cb -0.14 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1wc5 s SER 1136CO -0.20 -0.07 -0.18 -1.81 0.98 0.00 0.00 173.24 171.96 1wc5 s ASP 1137N 0.22 2.61 -0.16 7.02 1.01 0.10 -4.89 116.67 122.58 1wc5 s ASP 1137Ca -0.01 -0.83 -0.23 0.00 0.71 0.00 0.00 52.55 52.18 1wc5 s ASP 1137Cb -0.02 -0.15 -0.02 0.00 1.01 0.00 0.00 42.92 43.74 1wc5 s ASP 1137CO -0.01 -0.03 0.72 0.12 0.21 0.00 0.00 175.17 176.19 1wc5 s PHE 1138N -1.94 3.43 0.25 4.23 5.36 -1.26 -0.69 117.98 127.37 1wc5 s PHE 1138Ca 0.14 1.12 -0.06 0.00 -0.96 0.00 0.00 56.93 57.17 1wc5 s PHE 1138Cb -0.06 -2.88 0.02 0.00 -0.34 0.00 0.00 43.02 39.76 1wc5 s PHE 1138CO 0.06 -0.15 0.43 -2.37 -1.46 0.00 0.00 175.22 171.73 1wc5 n THR 1139N 4.54 0.00 -5.17 0.12 5.66 -0.99 -4.91 114.28 113.53 1wc5 n THR 1139Ca 0.01 -0.94 -0.31 0.00 -3.05 0.00 0.00 64.05 59.77 1wc5 n THR 1139Cb 0.50 0.70 -0.17 0.00 -1.55 0.00 0.00 70.33 69.81 1wc5 n THR 1139CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wc5 s ALA 1140N -2.06 2.05 0.03 1.79 0.00 -1.26 -2.49 121.76 119.82 1wc5 s ALA 1140Ca 0.15 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.24 1wc5 s ALA 1140Cb -0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1wc5 s ALA 1140CO 0.11 0.35 -0.25 0.42 0.00 0.00 0.00 175.76 176.39 1wc5 s ILE 1141N 0.04 2.00 0.00 0.00 -1.09 -0.84 -4.94 121.20 116.38 1wc5 s ILE 1141Ca -0.08 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 1wc5 s ILE 1141Cb -0.15 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.03 1wc5 s ILE 1141CO 0.05 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1wc5 n GLY 1142N 1.96 4.09 0.34 6.18 0.00 -1.26 -0.78 105.19 115.72 1wc5 n GLY 1142Ca -0.17 -1.48 0.21 0.00 0.00 0.00 0.00 46.02 44.58 1wc5 n GLY 1142CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wc5 h PRO 1143N 0.00 0.44 -0.83 1.61 0.11 -2.00 -0.64 132.00 130.69 1wc5 h PRO 1143Ca 0.00 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.20 1wc5 h PRO 1143Cb 0.00 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 30.93 1wc5 h PRO 1143CO 0.00 0.29 0.46 0.77 -0.21 0.00 0.00 178.00 179.31 1wc5 h SER 1144N 0.45 0.63 -0.24 -2.05 0.02 -1.92 -1.81 113.55 108.64 1wc5 h SER 1144Ca 0.69 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.67 1wc5 h SER 1144Cb 1.45 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 1wc5 h SER 1144CO -0.53 0.33 0.04 0.58 -1.14 0.00 0.00 176.83 176.11 1wc5 h VAL 1145N 0.73 1.22 -0.89 2.27 2.07 -1.41 -2.50 116.25 117.74 1wc5 h VAL 1145Ca 0.42 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1wc5 h VAL 1145Cb 0.47 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1wc5 h VAL 1145CO -0.29 0.24 0.58 0.78 0.02 0.00 0.00 177.57 178.90 1wc5 h ASN 1146N 0.20 0.86 -0.33 0.57 4.21 -1.32 -0.39 115.58 119.39 1wc5 h ASN 1146Ca 0.07 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.53 1wc5 h ASN 1146Cb 0.32 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 1wc5 h ASN 1146CO 0.00 0.54 -0.03 0.40 -1.29 0.00 0.00 177.43 177.05 1wc5 h ILE 1147N 0.97 1.27 -0.73 2.81 2.04 -1.13 0.19 117.51 122.93 1wc5 h ILE 1147Ca 0.39 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 65.28 1wc5 h ILE 1147Cb 0.26 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1wc5 h ILE 1147CO -0.15 0.34 0.42 0.00 0.00 0.00 0.00 178.15 178.75 1wc5 h ALA 1148N 0.83 0.99 0.31 1.87 0.00 -0.86 0.44 119.26 122.84 1wc5 h ALA 1148Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wc5 h ALA 1148Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wc5 h ALA 1148CO 0.02 0.10 -0.15 0.00 0.00 0.00 0.00 179.25 179.22 1wc5 h ALA 1149N 1.37 -0.42 -0.94 0.00 0.00 -0.86 -2.44 119.26 115.97 1wc5 h ALA 1149Ca 0.33 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1wc5 h ALA 1149Cb 0.21 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1wc5 h ALA 1149CO -0.19 -0.59 0.60 0.00 0.00 0.00 0.00 179.25 179.07 1wc5 h ARG 1150N -0.72 0.85 -0.03 0.00 2.47 -0.15 -1.80 114.38 115.01 1wc5 h ARG 1150Ca -0.04 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1wc5 h ARG 1150Cb 0.49 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1wc5 h ARG 1150CO 0.07 0.56 0.01 -0.07 0.56 0.00 0.00 179.97 181.11 1wc5 h LEU 1151N 0.88 0.04 -0.95 3.04 3.38 -0.05 -1.33 115.31 120.31 1wc5 h LEU 1151Ca 0.46 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.41 1wc5 h LEU 1151Cb 0.54 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1wc5 h LEU 1151CO -0.23 0.15 0.59 -0.61 0.09 0.00 0.00 178.44 178.43 1wc5 h GLN 1152N -0.07 0.98 -0.05 1.13 -0.00 -0.85 -1.95 115.11 114.30 1wc5 h GLN 1152Ca 0.01 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.65 58.47 1wc5 h GLN 1152Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 27.36 1wc5 h GLN 1152CO -0.00 0.65 -0.58 0.93 0.00 0.00 0.00 178.83 179.82 1wc5 h GLU 1153N 1.01 0.15 0.00 1.69 5.08 -1.13 -3.19 114.58 118.19 1wc5 h GLU 1153Ca 0.44 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1wc5 h GLU 1153Cb 0.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1wc5 h GLU 1153CO -0.22 0.69 -0.06 0.00 -1.00 0.00 0.00 179.01 178.42 1wc5 n ALA 1154N -2.46 2.37 -2.11 3.43 0.00 -0.52 -4.90 120.51 116.33 1wc5 n ALA 1154Ca -0.02 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 1wc5 n ALA 1154Cb 0.60 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.61 1wc5 n ALA 1154CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wc5 s THR 1155N -3.07 4.59 0.47 0.00 -1.32 -0.94 -5.07 115.64 110.30 1wc5 s THR 1155Ca 0.11 0.37 -0.20 0.00 -1.21 0.00 0.00 61.69 60.76 1wc5 s THR 1155Cb 0.14 -3.79 -0.09 0.00 -1.51 0.00 0.00 72.50 67.25 1wc5 s THR 1155CO 0.59 -0.87 1.00 0.00 -2.21 0.00 0.00 174.62 173.14 1wc5 s ALA 1156N -2.93 2.94 0.30 11.08 0.00 -1.26 -4.98 121.76 126.91 1wc5 s ALA 1156Ca 0.51 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 1wc5 s ALA 1156Cb -0.11 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 1wc5 s ALA 1156CO 0.48 -0.14 1.35 -0.35 0.00 0.00 0.00 175.76 177.10 1wc5 n PRO 1157N -0.86 2.14 -3.02 0.00 -0.04 -1.26 -3.13 135.00 128.82 1wc5 n PRO 1157Ca 0.08 0.75 -0.13 0.00 -0.04 0.00 0.00 63.50 64.17 1wc5 n PRO 1157Cb 0.53 -2.37 0.06 0.00 -0.04 0.00 0.00 33.50 31.68 1wc5 n PRO 1157CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wc5 n ASN 1158N 1.33 -5.45 -3.58 3.54 5.03 0.57 -4.94 115.26 111.77 1wc5 n ASN 1158Ca 0.07 -0.59 -0.11 0.00 0.87 0.00 0.00 54.58 54.82 1wc5 n ASN 1158Cb 0.35 -4.51 -0.03 0.00 -1.02 0.00 0.00 39.78 34.57 1wc5 n ASN 1158CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1wc5 s SER 1159N -3.44 -0.41 -0.18 6.41 1.04 -1.19 -5.03 113.70 110.91 1wc5 s SER 1159Ca 0.34 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.54 1wc5 s SER 1159Cb -0.04 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1wc5 s SER 1159CO 0.63 -1.01 -0.18 -0.63 0.98 0.00 0.00 173.24 173.02 1wc5 s ILE 1160N -3.81 2.21 -0.26 -1.02 1.01 -1.26 -2.07 121.20 116.00 1wc5 s ILE 1160Ca 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1wc5 s ILE 1160Cb -0.01 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.56 1wc5 s ILE 1160CO -0.08 0.53 -0.05 -0.32 0.00 0.00 0.00 174.94 175.01 1wc5 s MET 1161N 1.27 2.65 0.52 2.79 1.75 0.46 -1.40 119.30 127.34 1wc5 s MET 1161Ca 0.04 -1.10 0.07 0.00 -1.25 0.00 0.00 55.69 53.45 1wc5 s MET 1161Cb -0.13 -3.02 0.04 0.00 2.84 0.00 0.00 34.83 34.55 1wc5 s MET 1161CO -0.11 -0.48 0.49 0.14 -0.65 0.00 0.00 175.02 174.41 1wc5 s VAL 1162N 1.28 2.01 0.43 10.11 -7.23 0.27 -1.75 120.40 125.52 1wc5 s VAL 1162Ca -0.02 -1.34 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 1wc5 s VAL 1162Cb -0.18 -2.35 0.01 0.00 0.56 0.00 0.00 36.38 34.42 1wc5 s VAL 1162CO -0.04 0.00 0.52 -0.94 -0.31 0.00 0.00 175.10 174.33 1wc5 s SER 1163N -4.34 5.40 0.23 4.85 1.04 -1.12 -0.62 113.70 119.14 1wc5 s SER 1163Ca 0.44 -0.57 -0.07 0.00 0.48 0.00 0.00 55.95 56.23 1wc5 s SER 1163Cb -0.03 -0.55 0.28 0.00 0.10 0.00 0.00 66.02 65.82 1wc5 s SER 1163CO 0.27 -0.77 1.86 0.00 0.98 0.00 0.00 173.24 175.59 1wc5 h ALA 1164N 0.74 1.12 -1.01 5.32 0.00 -1.83 0.20 119.26 123.80 1wc5 h ALA 1164Ca -0.40 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 54.73 1wc5 h ALA 1164Cb 1.28 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1wc5 h ALA 1164CO 0.49 0.33 0.64 0.52 0.00 0.00 0.00 179.25 181.23 1wc5 h MET 1165N 1.01 0.48 0.03 0.00 2.86 -1.89 -1.73 114.93 115.69 1wc5 h MET 1165Ca 0.35 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.84 1wc5 h MET 1165Cb 0.07 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1wc5 h MET 1165CO -0.14 0.32 -0.62 0.28 1.06 0.00 0.00 176.91 177.82 1wc5 h VAL 1166N 0.49 1.43 -0.55 -2.22 2.07 -1.40 -3.36 116.25 112.71 1wc5 h VAL 1166Ca 0.58 -2.33 0.16 0.00 0.82 0.00 0.00 66.70 65.93 1wc5 h VAL 1166Cb 1.30 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 34.02 1wc5 h VAL 1166CO -0.32 0.56 0.53 0.00 0.02 0.00 0.00 177.57 178.36 1wc5 h ALA 1167N -0.13 2.32 0.00 1.67 0.00 0.07 -1.61 119.26 121.58 1wc5 h ALA 1167Ca -0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1wc5 h ALA 1167Cb 1.26 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wc5 h ALA 1167CO -0.03 -0.81 -0.03 -0.56 0.00 0.00 0.00 179.25 177.82 1wc5 h GLN 1168N 0.00 0.00 -0.40 0.00 3.07 -1.50 0.28 115.11 116.56 1wc5 h GLN 1168Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1wc5 h GLN 1168Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 1wc5 h GLN 1168CO -0.00 0.03 0.00 0.66 0.09 0.00 0.00 178.83 179.60 1wc5 n TYR 1169N -3.50 0.53 -4.42 0.06 4.02 -0.61 -4.86 117.16 108.38 1wc5 n TYR 1169Ca -0.03 -0.27 -0.34 0.00 -0.01 0.00 0.00 57.90 57.26 1wc5 n TYR 1169Cb 0.12 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.30 1wc5 n TYR 1169CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1wc5 s VAL 1170N -1.47 3.18 0.24 -0.72 1.01 0.97 -5.02 120.40 118.60 1wc5 s VAL 1170Ca 0.35 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 1wc5 s VAL 1170Cb 0.19 -2.38 -0.12 0.00 0.00 0.00 0.00 36.38 34.07 1wc5 s VAL 1170CO 0.26 0.49 1.58 -2.65 0.00 0.00 0.00 175.10 174.78 1wc5 n PRO 1171N 3.99 2.50 0.29 2.72 -0.02 -1.26 -4.80 135.00 138.42 1wc5 n PRO 1171Ca -0.18 0.89 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 1wc5 n PRO 1171Cb 0.52 -2.66 0.68 0.00 -0.02 0.00 0.00 33.50 32.02 1wc5 n PRO 1171CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wc5 h ASP 1172N 5.27 0.00 -0.08 2.55 3.32 -1.95 0.35 116.42 125.88 1wc5 h ASP 1172Ca -0.45 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 1wc5 h ASP 1172Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1wc5 h ASP 1172CO 0.84 0.00 -0.25 -0.08 -1.72 0.00 0.00 179.24 178.03 1wc5 h GLU 1173N 0.00 0.51 -0.48 3.56 4.81 -2.02 -1.88 114.58 119.08 1wc5 h GLU 1173Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1wc5 h GLU 1173Cb 0.66 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1wc5 h GLU 1173CO 0.00 0.72 0.00 0.39 -0.73 0.00 0.00 179.01 179.39 1wc5 n GLU 1174N -4.12 2.09 -3.42 1.92 1.02 0.12 -4.69 120.64 113.56 1wc5 n GLU 1174Ca -0.00 -1.30 -0.44 0.00 -0.02 0.00 0.00 57.16 55.40 1wc5 n GLU 1174Cb 0.41 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 1wc5 n GLU 1174CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wc5 s ILE 1175N -1.62 4.89 0.24 -3.67 -1.09 -0.71 -0.64 121.20 118.61 1wc5 s ILE 1175Ca 0.24 -1.91 -0.01 0.00 -2.23 0.00 0.00 60.65 56.74 1wc5 s ILE 1175Cb 0.14 -4.13 0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1wc5 s ILE 1175CO 0.13 -0.88 1.66 0.40 -1.23 0.00 0.00 174.94 175.02 1wc5 h ILE 1176N 5.67 1.28 -2.13 2.92 2.04 -1.33 -3.44 117.51 122.52 1wc5 h ILE 1176Ca -0.16 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.29 1wc5 h ILE 1176Cb 1.07 1.35 -0.25 0.00 -0.74 0.00 0.00 36.82 38.25 1wc5 h ILE 1176CO 0.90 0.44 -0.31 -0.75 0.00 0.00 0.00 178.15 178.43 1wc5 s LYS 1177N -4.47 0.42 -0.08 2.37 2.47 -0.95 -4.97 119.74 114.53 1wc5 s LYS 1177Ca -0.08 1.07 -0.02 0.00 -1.56 0.00 0.00 55.97 55.38 1wc5 s LYS 1177Cb 0.13 0.38 -0.03 0.00 -1.46 0.00 0.00 37.83 36.84 1wc5 s LYS 1177CO 0.81 -0.34 0.02 0.50 0.16 0.00 0.00 175.35 176.51 1wc5 s ARG 1178N 2.70 3.02 0.00 4.03 3.52 -1.26 -0.94 118.95 130.02 1wc5 s ARG 1178Ca 0.02 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 1wc5 s ARG 1178Cb -0.13 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1wc5 s ARG 1178CO -0.16 0.71 0.00 -1.91 -0.81 0.00 0.00 175.30 173.13 1wc5 n GLU 1179N 2.07 0.00 -1.64 5.12 2.13 -0.77 -5.03 120.64 122.51 1wc5 n GLU 1179Ca -0.18 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.31 1wc5 n GLU 1179Cb 0.54 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.31 1wc5 n GLU 1179CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1wc5 s PHE 1180N -0.79 2.57 -0.20 4.31 0.08 -1.26 -1.60 117.98 121.09 1wc5 s PHE 1180Ca 0.00 1.56 -0.18 0.00 0.12 0.00 0.00 56.93 58.43 1wc5 s PHE 1180Cb 0.00 -3.16 0.05 0.00 -0.57 0.00 0.00 43.02 39.34 1wc5 s PHE 1180CO 0.00 -1.76 0.54 -0.51 -0.10 0.00 0.00 175.22 173.38 1wc5 s LEU 1181N -5.08 -0.11 -0.08 -0.37 1.43 0.06 -4.84 118.68 109.69 1wc5 s LEU 1181Ca 0.66 1.09 -0.25 0.00 -1.03 0.00 0.00 54.13 54.61 1wc5 s LEU 1181Cb -0.20 1.84 -0.03 0.00 0.03 0.00 0.00 46.19 47.82 1wc5 s LEU 1181CO 0.44 -0.19 0.79 -1.61 0.23 0.00 0.00 176.35 176.01 1wc5 s GLU 1182N 0.46 4.43 0.14 1.70 2.02 -1.26 -1.76 118.70 124.43 1wc5 s GLU 1182Ca -0.01 1.02 0.07 0.00 0.02 0.00 0.00 54.97 56.07 1wc5 s GLU 1182Cb -0.04 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 1wc5 s GLU 1182CO -0.02 -0.06 -0.05 -0.51 0.02 0.00 0.00 175.26 174.65 1wc5 s LEU 1183N 1.18 3.20 -0.04 1.80 1.43 -1.26 -5.00 118.68 119.98 1wc5 s LEU 1183Ca 0.41 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 1wc5 s LEU 1183Cb -0.18 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1wc5 s LEU 1183CO 0.19 0.13 1.52 -0.54 0.23 0.00 0.00 176.35 177.88 1wc5 s LYS 1184N -2.62 4.22 0.00 1.70 -0.14 -1.26 -2.42 119.74 119.22 1wc5 s LYS 1184Ca 0.25 2.06 0.00 0.00 -1.36 0.00 0.00 55.97 56.92 1wc5 s LYS 1184Cb -0.10 -3.79 0.00 0.00 -1.68 0.00 0.00 37.83 32.25 1wc5 s LYS 1184CO 0.17 -0.74 0.00 0.41 -0.76 0.00 0.00 175.35 174.43 1wc5 n GLY 1185N 3.90 0.93 3.30 -3.33 0.00 -1.26 -4.98 105.19 103.76 1wc5 n GLY 1185Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1wc5 n GLY 1185CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wc5 s ILE 1186N -2.50 3.48 0.00 -0.61 -1.09 -1.02 -5.03 121.20 114.45 1wc5 s ILE 1186Ca 0.00 -0.65 -0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1wc5 s ILE 1186Cb 0.00 -2.69 -0.00 0.00 -1.58 0.00 0.00 42.46 38.19 1wc5 s ILE 1186CO 0.00 0.27 1.00 0.44 -1.23 0.00 0.00 174.94 175.43 1wc5 h ASP 1187N 8.13 -0.01 -2.71 3.58 3.32 -1.96 -3.40 116.42 123.36 1wc5 h ASP 1187Ca -0.37 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.14 1wc5 h ASP 1187Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1wc5 h ASP 1187CO 0.59 -0.01 1.01 -1.61 -1.72 0.00 0.00 179.24 177.51 1wc5 s GLU 1188N -3.02 4.21 0.12 3.56 0.41 -1.26 -4.95 118.70 117.76 1wc5 s GLU 1188Ca -0.00 2.07 -0.35 0.00 -0.41 0.00 0.00 54.97 56.28 1wc5 s GLU 1188Cb 0.00 -3.86 -0.15 0.00 -1.78 0.00 0.00 34.13 28.34 1wc5 s GLU 1188CO 0.00 -0.77 1.47 -2.30 -0.49 0.00 0.00 175.26 173.18 1wc5 n PRO 1189N 6.67 1.69 -3.42 0.39 -0.02 -1.26 -4.88 135.00 134.17 1wc5 n PRO 1189Ca 0.16 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 1wc5 n PRO 1189Cb 0.43 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 1wc5 n PRO 1189CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wc5 s VAL 1190N 0.77 4.93 -0.61 -1.45 1.01 -0.72 -4.81 120.40 119.51 1wc5 s VAL 1190Ca 0.82 0.54 -0.22 0.00 0.00 0.00 0.00 61.98 63.12 1wc5 s VAL 1190Cb -0.81 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 31.99 1wc5 s VAL 1190CO 0.42 0.03 0.90 -0.32 0.00 0.00 0.00 175.10 176.13 1wc5 s MET 1191N -2.55 3.15 0.20 2.72 1.75 -1.26 -0.76 119.30 122.54 1wc5 s MET 1191Ca 0.44 -0.77 -0.08 0.00 -1.25 0.00 0.00 55.69 54.03 1wc5 s MET 1191Cb -0.12 -4.18 -0.07 0.00 2.84 0.00 0.00 34.83 33.30 1wc5 s MET 1191CO 0.21 -1.66 0.48 0.95 -0.65 0.00 0.00 175.02 174.35 1wc5 s THR 1192N 3.75 5.02 -0.15 10.11 -4.23 -0.63 -2.37 115.64 127.14 1wc5 s THR 1192Ca 0.22 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.99 1wc5 s THR 1192Cb -0.17 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.10 1wc5 s THR 1192CO 0.12 -0.03 0.06 0.00 -0.54 0.00 0.00 174.62 174.23 1wc5 s VAL 1194N 2.03 4.59 0.57 0.00 1.01 -0.12 -0.57 120.40 127.91 1wc5 s VAL 1194Ca 0.02 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1wc5 s VAL 1194Cb -0.16 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 31.92 1wc5 s VAL 1194CO -0.08 -0.45 0.81 0.27 0.00 0.00 0.00 175.10 175.66 1wc5 s ILE 1195N 3.47 2.60 0.06 2.22 -4.36 -0.49 -0.97 121.20 123.72 1wc5 s ILE 1195Ca 0.41 -0.62 -0.26 0.00 -0.26 0.00 0.00 60.65 59.92 1wc5 s ILE 1195Cb -0.12 -2.98 -0.06 0.00 1.25 0.00 0.00 42.46 40.55 1wc5 s ILE 1195CO 0.16 0.00 0.80 0.21 0.24 0.00 0.00 174.94 176.34 1wc5 s ASN 1196N -4.45 7.26 0.34 4.36 3.84 0.19 -4.55 114.94 121.94 1wc5 s ASN 1196Ca 0.58 1.51 0.25 0.00 0.21 0.00 0.00 52.86 55.41 1wc5 s ASN 1196Cb -0.10 -2.49 1.21 0.00 -0.55 0.00 0.00 41.25 39.32 1wc5 s ASN 1196CO 0.39 0.00 1.76 1.55 -2.79 0.00 0.00 177.10 178.02 1wc5 h PRO 1197N 5.63 0.00 -6.41 0.43 0.13 -1.97 -3.43 132.00 126.38 1wc5 h PRO 1197Ca -0.44 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.00 1wc5 h PRO 1197Cb 1.21 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1wc5 h PRO 1197CO 0.71 0.00 -0.89 -0.80 -0.23 0.00 0.00 178.00 176.79 1wc5 s ASN 1198N -4.33 3.00 0.00 1.44 0.01 -1.26 -4.81 114.94 109.00 1wc5 s ASN 1198Ca 0.00 -0.47 0.26 0.00 -0.71 0.00 0.00 52.86 51.94 1wc5 s ASN 1198Cb 0.08 -0.46 1.57 0.00 0.41 0.00 0.00 41.25 42.85 1wc5 s ASN 1198CO 0.31 0.30 1.92 0.80 -1.51 0.00 0.00 177.10 178.92