#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkk h GLN 1007N 0.00 0.67 -0.62 3.69 4.20 -2.05 -2.93 115.11 118.07 1nkk h GLN 1007Ca 0.00 -0.21 0.12 0.00 0.06 0.00 0.00 58.65 58.62 1nkk h GLN 1007Cb 0.00 -0.06 -0.12 0.00 0.30 0.00 0.00 27.48 27.60 1nkk h GLN 1007CO 0.00 0.77 -0.16 1.03 -0.67 0.00 0.00 178.83 179.80 1nkk h SER 1008N 0.49 -0.59 -0.03 1.46 0.87 -2.05 -0.47 113.55 113.23 1nkk h SER 1008Ca 0.11 0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.75 1nkk h SER 1008Cb 0.47 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1nkk h SER 1008CO 0.02 -0.21 -0.30 0.06 -0.53 0.00 0.00 176.83 175.87 1nkk h GLN 1009N -0.01 0.49 0.00 2.24 3.07 -1.98 -2.70 115.11 116.22 1nkk h GLN 1009Ca 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 58.65 58.81 1nkk h GLN 1009Cb 0.46 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.99 1nkk h GLN 1009CO -0.64 0.75 -0.08 0.00 0.09 0.00 0.00 178.83 178.95 1nkk h ALA 1010N 1.25 1.30 -0.56 0.06 0.00 -0.92 -1.98 119.26 118.41 1nkk h ALA 1010Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nkk h ALA 1010Cb 0.75 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1nkk h ALA 1010CO 0.06 0.10 0.01 1.55 0.00 0.00 0.00 179.25 180.97 1nkk n VAL 1011N -3.63 2.76 -1.85 0.00 3.14 -0.82 -4.84 118.33 113.09 1nkk n VAL 1011Ca -0.02 -1.46 -0.31 0.00 -2.96 0.00 0.00 64.34 59.59 1nkk n VAL 1011Cb 0.20 -0.28 0.03 0.00 -1.06 0.00 0.00 33.84 32.73 1nkk n VAL 1011CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nkk s ALA 1012N -2.80 2.95 0.38 1.55 0.00 -0.75 -4.92 121.76 118.18 1nkk s ALA 1012Ca 0.54 -0.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.06 1nkk s ALA 1012Cb 0.41 -3.06 -0.13 0.00 0.00 0.00 0.00 23.12 20.34 1nkk s ALA 1012CO 0.15 -0.96 0.64 -2.30 0.00 0.00 0.00 175.76 173.29 1nkk n PRO 1013N -2.92 0.68 -4.68 0.00 -0.02 -1.26 -4.99 135.00 121.81 1nkk n PRO 1013Ca 0.07 0.24 -0.29 0.00 -2.02 0.00 0.00 63.50 61.50 1nkk n PRO 1013Cb 0.55 -1.54 -0.17 0.00 -0.02 0.00 0.00 33.50 32.33 1nkk n PRO 1013CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nkk s VAL 1014N -1.35 1.63 0.13 -1.45 1.01 -0.41 -4.87 120.40 115.09 1nkk s VAL 1014Ca 0.63 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 1nkk s VAL 1014Cb -0.65 -1.46 -0.07 0.00 0.00 0.00 0.00 36.38 34.21 1nkk s VAL 1014CO 0.58 0.47 0.50 -0.31 0.00 0.00 0.00 175.10 176.33 1nkk s TYR 1015N 0.76 3.58 -0.03 5.22 1.51 0.10 0.30 117.35 128.79 1nkk s TYR 1015Ca -0.11 0.94 -0.01 0.00 -1.01 0.00 0.00 57.07 56.88 1nkk s TYR 1015Cb -0.16 -2.28 0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1nkk s TYR 1015CO 0.02 0.44 0.07 0.54 -1.11 0.00 0.00 175.55 175.51 1nkk s VAL 1016N -1.48 -0.05 0.27 0.71 0.11 -0.64 0.12 120.40 119.44 1nkk s VAL 1016Ca 0.37 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.63 1nkk s VAL 1016Cb -0.14 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1nkk s VAL 1016CO 0.19 0.08 0.12 -0.83 -3.33 0.00 0.00 175.10 171.33 1nkk s GLY 1017N 1.04 1.82 0.00 6.54 0.00 -0.31 -0.10 107.32 116.30 1nkk s GLY 1017Ca -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.83 1nkk s GLY 1017CO -0.04 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.11 1nkk n GLY 1018N -0.48 -2.28 3.77 0.20 0.00 -1.05 -1.02 105.19 104.33 1nkk n GLY 1018Ca 0.01 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 1nkk n GLY 1018CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nkk s PHE 1019N -1.87 3.71 -0.10 1.61 0.40 -1.25 -1.19 117.98 119.29 1nkk s PHE 1019Ca 0.00 1.21 0.15 0.00 -0.60 0.00 0.00 56.93 57.69 1nkk s PHE 1019Cb 0.00 -2.58 -0.09 0.00 0.51 0.00 0.00 43.02 40.86 1nkk s PHE 1019CO 0.00 0.40 1.06 -0.07 0.70 0.00 0.00 175.22 177.31 1nkk h LEU 1020N 5.42 0.00 -7.00 -0.37 3.38 -0.34 -3.36 115.31 113.04 1nkk h LEU 1020Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1nkk h LEU 1020Cb 1.20 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.74 1nkk h LEU 1020CO 0.68 0.63 0.24 0.00 0.09 0.00 0.00 178.44 180.08 1nkk s ALA 1021N -2.89 -1.82 -0.20 1.53 0.00 -1.20 -4.67 121.76 112.52 1nkk s ALA 1021Ca -0.00 1.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 1nkk s ALA 1021Cb 0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1nkk s ALA 1021CO 0.79 -0.33 -0.07 1.03 0.00 0.00 0.00 175.76 177.18 1nkk s ARG 1022N -0.39 3.37 0.32 0.00 1.81 -1.26 -0.50 118.95 122.30 1nkk s ARG 1022Ca -0.04 -0.64 0.03 0.00 -1.72 0.00 0.00 55.73 53.36 1nkk s ARG 1022Cb -0.03 -2.91 0.54 0.00 -0.45 0.00 0.00 34.95 32.10 1nkk s ARG 1022CO 0.04 -0.11 1.84 1.88 -0.68 0.00 0.00 175.30 178.27 1nkk h TYR 1023N 7.79 0.59 0.00 -0.53 0.05 -1.59 -2.51 116.97 120.76 1nkk h TYR 1023Ca -0.39 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1nkk h TYR 1023Cb 1.17 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1nkk h TYR 1023CO 0.56 0.59 0.00 -0.40 -1.05 0.00 0.00 178.16 177.86 1nkk n ASP 1024N -4.25 0.00 -4.40 3.88 5.75 -1.26 -4.71 116.55 111.55 1nkk n ASP 1024Ca 0.01 -0.88 -0.34 0.00 -0.01 0.00 0.00 54.79 53.58 1nkk n ASP 1024Cb 0.27 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.23 1nkk n ASP 1024CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1nkk s GLN 1025N -2.00 3.52 -0.28 0.11 -1.52 -0.95 -5.08 119.66 113.46 1nkk s GLN 1025Ca 0.32 -0.58 -0.24 0.00 -1.95 0.00 0.00 55.36 52.91 1nkk s GLN 1025Cb 0.15 -2.94 -0.00 0.00 -0.22 0.00 0.00 33.01 29.99 1nkk s GLN 1025CO 0.25 0.04 0.83 0.45 -0.25 0.00 0.00 175.29 176.60 1nkk s SER 1026N 0.88 6.76 0.96 5.90 0.15 -1.26 -4.87 113.70 122.21 1nkk s SER 1026Ca -0.01 0.86 -0.12 0.00 0.70 0.00 0.00 55.95 57.38 1nkk s SER 1026Cb -0.15 -2.43 0.09 0.00 -1.71 0.00 0.00 66.02 61.82 1nkk s SER 1026CO 0.01 -0.59 0.67 -2.65 1.20 0.00 0.00 173.24 171.88 1nkk n PRO 1027N 6.17 -0.50 0.11 5.44 -0.02 -1.26 -4.90 135.00 140.03 1nkk n PRO 1027Ca 0.05 -0.10 0.12 0.00 -2.02 0.00 0.00 63.50 61.56 1nkk n PRO 1027Cb 0.48 -2.04 0.25 0.00 -0.02 0.00 0.00 33.50 32.16 1nkk n PRO 1027CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1nkk h ASP 1028N -1.75 0.00 -4.09 2.55 2.03 -1.95 -3.45 116.42 109.76 1nkk h ASP 1028Ca -0.44 -0.08 -0.45 0.00 -0.73 0.00 0.00 57.03 55.33 1nkk h ASP 1028Cb 1.28 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.59 1nkk h ASP 1028CO 0.37 0.04 -0.78 -0.70 -1.03 0.00 0.00 179.24 177.15 1nkk s GLU 1029N -3.16 1.03 0.34 4.15 2.12 -1.26 -5.06 118.70 116.86 1nkk s GLU 1029Ca 0.07 -1.20 0.09 0.00 0.36 0.00 0.00 54.97 54.29 1nkk s GLU 1029Cb 0.11 -1.01 0.61 0.00 0.26 0.00 0.00 34.13 34.10 1nkk s GLU 1029CO 0.67 0.21 1.79 0.00 -0.54 0.00 0.00 175.26 177.39 1nkk h ALA 1030N 3.71 1.29 0.00 6.30 0.00 -2.01 -3.01 119.26 125.53 1nkk h ALA 1030Ca -0.41 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1nkk h ALA 1030Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1nkk h ALA 1030CO 0.47 0.49 0.00 0.54 0.00 0.00 0.00 179.25 180.75 1nkk n ARG 1031N -4.12 0.22 -0.10 0.00 1.74 -1.26 -2.57 116.66 110.57 1nkk n ARG 1031Ca -0.01 0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.23 1nkk n ARG 1031Cb 0.40 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.67 1nkk n ARG 1031CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1nkk n LEU 1032N -1.36 1.89 -4.77 0.55 4.77 -1.14 -4.75 117.00 112.19 1nkk n LEU 1032Ca 0.10 -0.81 -0.40 0.00 -0.03 0.00 0.00 56.01 54.86 1nkk n LEU 1032Cb 0.23 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1nkk n LEU 1032CO 0.20 0.41 1.01 -0.76 -1.33 0.00 0.00 177.39 176.92 1nkk s LEU 1033N -1.49 4.25 -0.42 2.23 1.02 -1.06 -4.80 118.68 118.41 1nkk s LEU 1033Ca 0.32 2.78 -0.01 0.00 0.02 0.00 0.00 54.13 57.24 1nkk s LEU 1033Cb 0.17 -3.83 0.21 0.00 0.02 0.00 0.00 46.19 42.77 1nkk s LEU 1033CO 0.26 -0.86 0.95 -0.11 0.02 0.00 0.00 176.35 176.61 1nkk n LEU 1034N 0.24 -2.32 -4.83 1.79 7.94 -1.26 -4.84 117.00 113.72 1nkk n LEU 1034Ca 0.03 -1.86 -0.32 0.00 -1.11 0.00 0.00 56.01 52.76 1nkk n LEU 1034Cb 0.42 0.64 0.01 0.00 0.53 0.00 0.00 43.42 45.03 1nkk n LEU 1034CO 0.58 1.53 0.71 -2.16 -1.11 0.00 0.00 177.39 176.94 1nkk s PRO 1035N 0.89 3.40 0.38 1.96 0.04 -1.26 -4.83 135.00 135.58 1nkk s PRO 1035Ca 0.27 0.98 0.15 0.00 0.04 0.00 0.00 61.00 62.43 1nkk s PRO 1035Cb 0.08 -2.05 1.01 0.00 0.04 0.00 0.00 34.50 33.58 1nkk s PRO 1035CO -0.09 -0.73 1.80 -0.09 0.04 0.00 0.00 177.00 177.93 1nkk h ARG 1036N 0.02 0.47 0.00 4.56 2.43 -1.99 -0.28 114.38 119.60 1nkk h ARG 1036Ca -0.45 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1nkk h ARG 1036Cb 1.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1nkk h ARG 1036CO 0.59 0.31 -0.18 0.38 -1.51 0.00 0.00 179.97 179.56 1nkk h ASP 1037N 0.49 0.00 0.12 -3.80 3.04 -1.99 -1.08 116.42 113.20 1nkk h ASP 1037Ca 0.55 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 54.07 1nkk h ASP 1037Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1nkk h ASP 1037CO -0.28 0.18 -1.36 0.58 -2.04 0.00 0.00 179.24 176.33 1nkk h VAL 1038N 0.00 1.08 0.55 4.15 2.07 -1.47 -2.87 116.25 119.75 1nkk h VAL 1038Ca -0.00 -2.42 -0.02 0.00 0.82 0.00 0.00 66.70 65.08 1nkk h VAL 1038Cb 0.74 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1nkk h VAL 1038CO 0.02 0.71 -0.40 0.58 0.02 0.00 0.00 177.57 178.50 1nkk h VAL 1039N -0.31 0.00 -0.99 2.57 2.07 -1.16 0.32 116.25 118.76 1nkk h VAL 1039Ca -0.29 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.39 1nkk h VAL 1039Cb 1.75 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 1nkk h VAL 1039CO 0.07 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 177.95 1nkk h GLU 1040N -0.90 0.81 0.77 1.57 5.08 -1.37 0.78 114.58 121.32 1nkk h GLU 1040Ca -0.07 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1nkk h GLU 1040Cb 0.74 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1nkk h GLU 1040CO 0.03 0.54 -0.37 1.25 -1.00 0.00 0.00 179.01 179.46 1nkk h HIS 1041N 0.84 -0.96 0.22 4.33 2.76 -1.21 -1.19 115.15 119.94 1nkk h HIS 1041Ca 0.53 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.68 1nkk h HIS 1041Cb 0.73 0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.98 1nkk h HIS 1041CO -0.00 -0.59 -0.26 -1.49 -1.30 0.00 0.00 177.93 174.28 1nkk h TRP 1042N -1.05 -0.70 -0.68 5.26 6.55 0.95 -2.46 115.95 123.82 1nkk h TRP 1042Ca -0.11 0.01 0.13 0.00 0.95 0.00 0.00 58.89 59.87 1nkk h TRP 1042Cb 0.80 0.28 -0.13 0.00 -0.86 0.00 0.00 29.16 29.25 1nkk h TRP 1042CO -0.02 -0.38 -0.24 -0.07 -1.05 0.00 0.00 178.44 176.69 1nkk h LEU 1043N -0.53 -0.85 -2.30 -4.49 3.38 0.56 0.89 115.31 111.97 1nkk h LEU 1043Ca 0.00 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1nkk h LEU 1043Cb 0.51 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1nkk h LEU 1043CO -0.08 -0.26 0.13 -0.74 0.09 0.00 0.00 178.44 177.58 1nkk h HIS 1044N -0.06 0.00 0.00 1.13 2.76 -0.86 -2.91 115.15 115.21 1nkk h HIS 1044Ca 0.31 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.40 1nkk h HIS 1044Cb 0.54 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1nkk h HIS 1044CO -0.60 0.00 -0.65 0.00 -1.30 0.00 0.00 177.93 175.38 1nkk h ALA 1045N 1.85 0.08 -1.70 5.26 0.00 0.95 -3.51 119.26 122.19 1nkk h ALA 1045Ca 0.06 -0.67 -0.46 0.00 0.00 0.00 0.00 54.91 53.84 1nkk h ALA 1045Cb 0.32 0.48 0.23 0.00 0.00 0.00 0.00 17.79 18.83 1nkk h ALA 1045CO -0.00 0.47 -1.05 0.94 0.00 0.00 0.00 179.25 179.61 1nkk n GLN 1046N -4.58 -1.63 -0.47 0.00 -0.06 0.18 -4.81 117.38 106.00 1nkk n GLN 1046Ca -0.14 -0.46 0.00 0.00 -2.00 0.00 0.00 57.00 54.40 1nkk n GLN 1046Cb 0.38 -1.72 0.00 0.00 -4.06 0.00 0.00 30.24 24.84 1nkk n GLN 1046CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1nkk n VAL 1055N -4.45 0.00 -2.65 1.69 0.24 -1.26 -5.04 118.33 106.86 1nkk n VAL 1055Ca 0.01 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 1nkk n VAL 1055Cb 0.62 -0.08 -0.05 0.00 -1.47 0.00 0.00 33.84 32.86 1nkk n VAL 1055CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nkk s ALA 1056N -2.82 3.06 0.31 2.33 0.00 -1.26 -5.02 121.76 118.36 1nkk s ALA 1056Ca 0.00 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 1nkk s ALA 1056Cb 0.00 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 1nkk s ALA 1056CO 0.00 -0.08 1.39 -0.51 0.00 0.00 0.00 175.76 176.57 1nkk s LEU 1057N -2.82 4.39 0.75 0.00 1.02 -1.26 -4.81 118.68 115.94 1nkk s LEU 1057Ca 0.59 2.76 -0.14 0.00 0.02 0.00 0.00 54.13 57.37 1nkk s LEU 1057Cb -0.17 -3.64 0.05 0.00 0.02 0.00 0.00 46.19 42.45 1nkk s LEU 1057CO 0.22 -0.67 1.16 -2.84 0.02 0.00 0.00 176.35 174.24 1nkk s PRO 1058N -1.34 2.10 -0.23 1.29 0.02 -1.26 -0.51 135.00 135.07 1nkk s PRO 1058Ca 0.54 1.57 -0.00 0.00 0.02 0.00 0.00 61.00 63.12 1nkk s PRO 1058Cb -0.42 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.31 1nkk s PRO 1058CO 0.52 -1.82 -0.02 -1.17 -0.33 0.00 0.00 177.00 174.17 1nkk s LEU 1059N -5.44 2.26 0.51 -5.54 2.96 0.20 -2.29 118.68 111.34 1nkk s LEU 1059Ca 0.70 -1.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1nkk s LEU 1059Cb -0.25 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 1nkk s LEU 1059CO 0.48 -0.26 0.01 0.54 -1.32 0.00 0.00 176.35 175.80 1nkk s ASN 1060N 1.51 4.04 -0.32 3.68 2.20 -0.83 -0.10 114.94 125.11 1nkk s ASN 1060Ca -0.04 -1.66 -0.15 0.00 -0.94 0.00 0.00 52.86 50.07 1nkk s ASN 1060Cb -0.18 0.54 -0.02 0.00 -2.00 0.00 0.00 41.25 39.59 1nkk s ASN 1060CO -0.07 -0.87 0.34 -0.63 -2.94 0.00 0.00 177.10 172.93 1nkk s ILE 1061N -2.90 5.19 -1.61 0.54 -1.09 0.44 -0.75 121.20 121.02 1nkk s ILE 1061Ca 0.06 0.12 -0.11 0.00 -2.23 0.00 0.00 60.65 58.49 1nkk s ILE 1061Cb 0.01 -3.77 0.10 0.00 -1.58 0.00 0.00 42.46 37.23 1nkk s ILE 1061CO 0.03 -0.01 0.59 -3.20 -1.23 0.00 0.00 174.94 171.12 1nkk n ASN 1062N 5.32 -1.88 -2.03 3.58 5.15 0.03 -2.14 115.26 123.30 1nkk n ASN 1062Ca -0.10 -1.05 -0.19 0.00 -0.60 0.00 0.00 54.58 52.65 1nkk n ASN 1062Cb 0.50 -2.67 -0.02 0.00 -0.53 0.00 0.00 39.78 37.05 1nkk n ASN 1062CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1nkk n HIS 1063N -4.40 -0.75 -3.61 1.20 8.25 -1.26 -4.99 115.22 109.67 1nkk n HIS 1063Ca -0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.99 1nkk n HIS 1063Cb 0.57 -3.60 -0.11 0.00 1.12 0.00 0.00 29.99 27.97 1nkk n HIS 1063CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1nkk s ASP 1064N -2.26 5.80 0.00 0.41 -1.08 -0.91 -4.97 116.67 113.66 1nkk s ASP 1064Ca 0.00 -0.33 0.04 0.00 -0.52 0.00 0.00 52.55 51.75 1nkk s ASP 1064Cb 0.00 -2.07 0.20 0.00 -1.46 0.00 0.00 42.92 39.59 1nkk s ASP 1064CO 0.00 -0.16 1.06 0.47 0.52 0.00 0.00 175.17 177.06 1nkk n ASP 1065N 5.04 0.00 -0.74 -0.34 10.43 -1.26 -0.39 116.55 129.28 1nkk n ASP 1065Ca -0.14 0.37 0.11 0.00 2.57 0.00 0.00 54.79 57.70 1nkk n ASP 1065Cb 0.50 -0.40 0.06 0.00 1.84 0.00 0.00 41.12 43.12 1nkk n ASP 1065CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1nkk n THR 1066N -1.40 0.00 -2.18 -3.53 -2.24 -1.26 -4.35 114.28 99.32 1nkk n THR 1066Ca 0.01 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 1nkk n THR 1066Cb 0.04 1.39 0.02 0.00 -2.10 0.00 0.00 70.33 69.68 1nkk n THR 1066CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nkk n ALA 1067N 0.80 5.44 -2.63 6.98 0.00 0.47 -0.85 120.51 130.72 1nkk n ALA 1067Ca 0.11 -4.10 -0.43 0.00 0.00 0.00 0.00 53.44 49.03 1nkk n ALA 1067Cb 0.51 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 1nkk n ALA 1067CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nkk s VAL 1068N -5.18 4.51 -0.42 0.00 1.01 -1.26 -0.42 120.40 118.64 1nkk s VAL 1068Ca 0.51 1.56 0.12 0.00 0.00 0.00 0.00 61.98 64.17 1nkk s VAL 1068Cb 0.42 -4.41 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 1nkk s VAL 1068CO -0.17 -0.53 0.44 1.33 0.00 0.00 0.00 175.10 176.18 1nkk n VAL 1069N 5.96 0.00 -3.07 2.92 0.24 0.86 -2.99 118.33 122.25 1nkk n VAL 1069Ca 0.11 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1nkk n VAL 1069Cb 0.47 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 1nkk n VAL 1069CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nkk n GLY 1070N 1.42 -0.58 3.13 7.63 0.00 -0.69 -0.72 105.19 115.38 1nkk n GLY 1070Ca 0.01 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1nkk n GLY 1070CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nkk s HIS 1071N -3.00 0.85 -0.03 1.61 -3.43 -0.87 0.62 115.29 111.03 1nkk s HIS 1071Ca 0.00 -0.72 -0.30 0.00 -0.80 0.00 0.00 55.06 53.24 1nkk s HIS 1071Cb 0.00 -0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 30.63 1nkk s HIS 1071CO 0.00 -0.10 1.06 0.08 -2.00 0.00 0.00 174.74 173.78 1nkk s VAL 1072N -2.60 4.62 -0.13 -5.38 1.01 0.33 -0.64 120.40 117.62 1nkk s VAL 1072Ca 0.03 1.89 0.19 0.00 0.00 0.00 0.00 61.98 64.08 1nkk s VAL 1072Cb -0.02 -4.21 -0.22 0.00 0.00 0.00 0.00 36.38 31.93 1nkk s VAL 1072CO -0.02 0.08 0.50 0.00 0.00 0.00 0.00 175.10 175.65 1nkk n ALA 1073N 4.48 2.04 -3.40 5.51 0.00 0.30 -4.32 120.51 125.12 1nkk n ALA 1073Ca 0.08 -0.78 -0.14 0.00 0.00 0.00 0.00 53.44 52.60 1nkk n ALA 1073Cb 0.49 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 1nkk n ALA 1073CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nkk s ALA 1074N -2.95 -1.28 -0.05 0.00 0.00 0.68 -3.34 121.76 114.82 1nkk s ALA 1074Ca -0.06 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 1nkk s ALA 1074Cb 0.09 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1nkk s ALA 1074CO 0.84 -0.27 0.08 -1.64 0.00 0.00 0.00 175.76 174.77 1nkk s MET 1075N -0.35 -0.03 -0.04 0.00 1.00 -1.26 0.15 119.30 118.77 1nkk s MET 1075Ca -0.05 0.38 -0.02 0.00 0.00 0.00 0.00 55.69 55.99 1nkk s MET 1075Cb -0.03 -0.36 0.02 0.00 0.00 0.00 0.00 34.83 34.46 1nkk s MET 1075CO 0.03 -0.27 0.10 -1.14 0.00 0.00 0.00 175.02 173.74 1nkk s GLN 1076N 1.84 0.07 -0.23 2.03 2.00 -0.32 -5.00 119.66 120.05 1nkk s GLN 1076Ca -0.00 0.23 -0.23 0.00 -2.00 0.00 0.00 55.36 53.36 1nkk s GLN 1076Cb -0.12 -0.10 -0.01 0.00 0.80 0.00 0.00 33.01 33.57 1nkk s GLN 1076CO -0.04 -0.11 0.74 0.45 -0.50 0.00 0.00 175.29 175.83 1nkk s SER 1077N 0.71 6.76 0.49 6.67 0.15 -1.26 -1.17 113.70 126.04 1nkk s SER 1077Ca -0.05 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1nkk s SER 1077Cb -0.07 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1nkk s SER 1077CO -0.03 -0.41 0.02 1.33 1.20 0.00 0.00 173.24 175.34 1nkk n VAL 1078N 5.05 0.00 -0.25 4.45 0.24 0.81 -4.98 118.33 123.66 1nkk n VAL 1078Ca 0.02 -2.29 0.05 0.00 -2.04 0.00 0.00 64.34 60.09 1nkk n VAL 1078Cb 0.48 0.44 0.18 0.00 -1.47 0.00 0.00 33.84 33.47 1nkk n VAL 1078CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1nkk h ARG 1079N 0.00 0.24 -0.01 7.34 2.43 -1.96 -2.68 114.38 119.73 1nkk h ARG 1079Ca -0.40 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1nkk h ARG 1079Cb 1.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1nkk h ARG 1079CO 0.66 0.16 -0.24 -0.25 -1.51 0.00 0.00 179.97 178.80 1nkk n ASP 1080N -5.18 1.67 0.00 -3.80 10.43 -1.26 -4.88 116.55 113.54 1nkk n ASP 1080Ca 0.14 -1.34 0.00 0.00 2.57 0.00 0.00 54.79 56.16 1nkk n ASP 1080Cb 0.46 0.19 0.00 0.00 1.84 0.00 0.00 41.12 43.61 1nkk n ASP 1080CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nkk n GLY 1081N 1.33 -1.05 3.36 0.44 0.00 -1.01 -1.48 105.19 106.78 1nkk n GLY 1081Ca 0.13 -1.31 -0.45 0.00 0.00 0.00 0.00 46.02 44.39 1nkk n GLY 1081CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nkk s LEU 1082N 0.00 5.55 0.26 0.99 2.96 0.35 -0.13 118.68 128.65 1nkk s LEU 1082Ca 0.00 -1.51 -0.11 0.00 -0.22 0.00 0.00 54.13 52.30 1nkk s LEU 1082Cb 0.00 -2.28 -0.07 0.00 0.50 0.00 0.00 46.19 44.33 1nkk s LEU 1082CO 0.00 -1.07 0.59 0.12 -1.32 0.00 0.00 176.35 174.68 1nkk s PHE 1083N 2.48 3.42 -0.03 5.38 2.19 -0.32 0.42 117.98 131.52 1nkk s PHE 1083Ca 0.10 0.94 -0.09 0.00 0.33 0.00 0.00 56.93 58.21 1nkk s PHE 1083Cb -0.25 -2.32 0.01 0.00 -1.31 0.00 0.00 43.02 39.15 1nkk s PHE 1083CO 0.06 0.22 0.20 0.00 1.83 0.00 0.00 175.22 177.53 1nkk s LEU 1085N -0.96 2.58 0.27 0.00 1.98 0.40 -2.52 118.68 120.43 1nkk s LEU 1085Ca -0.10 -0.36 0.04 0.00 -2.89 0.00 0.00 54.13 50.82 1nkk s LEU 1085Cb -0.05 -1.56 -0.06 0.00 0.66 0.00 0.00 46.19 45.18 1nkk s LEU 1085CO 0.02 0.19 0.00 -0.83 -1.89 0.00 0.00 176.35 173.84 1nkk s GLY 1086N 0.19 1.77 -0.05 7.98 0.00 0.86 0.11 107.32 118.18 1nkk s GLY 1086Ca -0.09 -1.88 -0.01 0.00 0.00 0.00 0.00 44.72 42.73 1nkk s GLY 1086CO 0.06 -1.75 0.02 0.00 0.00 0.00 0.00 173.10 171.43 1nkk s VAL 1088N 1.83 4.54 -0.01 0.00 1.01 0.15 -2.05 120.40 125.87 1nkk s VAL 1088Ca 0.02 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1nkk s VAL 1088Cb -0.12 -4.37 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 1nkk s VAL 1088CO -0.04 -0.63 0.01 0.35 0.00 0.00 0.00 175.10 174.80 1nkk n THR 1089N 6.12 0.00 -1.70 3.92 -2.24 -0.37 -1.29 114.28 118.72 1nkk n THR 1089Ca 0.07 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1nkk n THR 1089Cb 0.48 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1nkk n THR 1089CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nkk s SER 1090N -1.07 6.10 0.14 3.42 0.15 0.11 -4.88 113.70 117.67 1nkk s SER 1090Ca 0.00 2.30 -0.17 0.00 0.70 0.00 0.00 55.95 58.78 1nkk s SER 1090Cb 0.00 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1nkk s SER 1090CO 0.01 -1.38 1.76 -0.65 1.20 0.00 0.00 173.24 174.18 1nkk h PRO 1091N 12.13 0.27 0.16 5.44 0.11 -1.91 -2.29 132.00 145.91 1nkk h PRO 1091Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nkk h PRO 1091Cb 1.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1nkk h PRO 1091CO 0.95 0.18 -0.14 0.00 -0.21 0.00 0.00 178.00 178.77 1nkk h ARG 1092N 0.27 -0.31 -0.19 1.05 3.08 -1.96 -0.64 114.38 115.67 1nkk h ARG 1092Ca 0.13 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.25 1nkk h ARG 1092Cb 0.08 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 1nkk h ARG 1092CO -0.12 -0.21 -0.10 0.35 -1.07 0.00 0.00 179.97 178.82 1nkk h PHE 1093N -0.33 -0.24 -0.61 3.04 3.57 -1.94 -0.06 116.94 120.37 1nkk h PHE 1093Ca -0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1nkk h PHE 1093Cb 0.30 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1nkk h PHE 1093CO -0.12 -0.15 0.18 -0.07 -2.23 0.00 0.00 178.31 175.91 1nkk h LEU 1094N -0.08 0.87 -0.39 0.59 3.38 -1.33 0.43 115.31 118.78 1nkk h LEU 1094Ca 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nkk h LEU 1094Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1nkk h LEU 1094CO -0.25 0.83 0.22 -0.08 0.09 0.00 0.00 178.44 179.25 1nkk h GLU 1095N 0.90 0.55 -0.55 1.13 4.57 -0.54 0.81 114.58 121.44 1nkk h GLU 1095Ca 0.20 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1nkk h GLU 1095Cb 0.28 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1nkk h GLU 1095CO -0.01 0.44 0.28 0.82 -1.18 0.00 0.00 179.01 179.37 1nkk h ILE 1096N 0.51 1.18 -0.17 2.32 2.04 -0.52 -1.04 117.51 121.83 1nkk h ILE 1096Ca 0.14 -0.48 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 1nkk h ILE 1096Cb 0.05 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1nkk h ILE 1096CO -0.02 0.20 -0.35 0.58 0.00 0.00 0.00 178.15 178.56 1nkk h VAL 1097N 0.77 1.34 -0.22 1.67 2.07 0.19 -2.15 116.25 119.93 1nkk h VAL 1097Ca 0.20 -1.60 0.05 0.00 0.82 0.00 0.00 66.70 66.17 1nkk h VAL 1097Cb 0.06 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1nkk h VAL 1097CO -0.03 0.49 -0.09 -0.09 0.02 0.00 0.00 177.57 177.87 1nkk h ARG 1098N 0.19 -0.05 0.42 1.57 1.12 0.12 0.52 114.38 118.26 1nkk h ARG 1098Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 1nkk h ARG 1098Cb 0.95 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.92 1nkk h ARG 1098CO 0.08 -0.04 -0.22 0.00 -3.11 0.00 0.00 179.97 176.68 1nkk h ARG 1099N -0.06 -0.58 -0.80 0.20 3.08 -1.19 -2.66 114.38 112.38 1nkk h ARG 1099Ca 0.12 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.27 1nkk h ARG 1099Cb 0.23 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 1nkk h ARG 1099CO -0.26 -0.39 0.48 0.00 -1.07 0.00 0.00 179.97 178.73 1nkk h ALA 1100N -0.03 1.09 -0.41 0.04 0.00 -1.10 -1.48 119.26 117.37 1nkk h ALA 1100Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1nkk h ALA 1100Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1nkk h ALA 1100CO 0.08 0.19 0.40 0.66 0.00 0.00 0.00 179.25 180.58 1nkk h SER 1101N 0.87 0.00 1.21 0.00 4.64 0.39 0.41 113.55 121.07 1nkk h SER 1101Ca 0.35 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.62 1nkk h SER 1101Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1nkk h SER 1101CO -0.18 0.00 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.18 1nkk h GLU 1102N 0.00 0.00 -0.50 4.77 4.39 -1.05 -3.20 114.58 118.99 1nkk h GLU 1102Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1nkk h GLU 1102Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1nkk h GLU 1102CO -0.00 0.27 0.00 1.63 -1.16 0.00 0.00 179.01 179.75 1nkk n LYS 1103N -3.30 4.31 -3.92 2.33 4.76 0.14 -4.92 118.16 117.55 1nkk n LYS 1103Ca 0.01 -3.06 -0.35 0.00 -2.87 0.00 0.00 58.31 52.04 1nkk n LYS 1103Cb 0.52 -2.13 -0.11 0.00 -1.84 0.00 0.00 35.03 31.47 1nkk n LYS 1103CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1nkk s SER 1104N -1.10 5.32 0.02 4.39 0.15 -1.15 -4.98 113.70 116.35 1nkk s SER 1104Ca 0.51 -0.08 -0.24 0.00 0.70 0.00 0.00 55.95 56.83 1nkk s SER 1104Cb 0.39 -1.93 -0.18 0.00 -1.71 0.00 0.00 66.02 62.59 1nkk s SER 1104CO 0.15 0.07 1.43 -0.08 1.20 0.00 0.00 173.24 176.01 1nkk h GLU 1105N 7.49 0.03 -0.54 5.44 4.57 -1.91 0.13 114.58 129.78 1nkk h GLU 1105Ca -0.37 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 57.91 1nkk h GLU 1105Cb 1.18 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.68 1nkk h GLU 1105CO 0.63 0.34 0.07 1.25 -1.18 0.00 0.00 179.01 180.12 1nkk h LEU 1106N -0.28 -0.09 -0.79 1.64 5.85 -1.98 0.16 115.31 119.82 1nkk h LEU 1106Ca 0.00 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1nkk h LEU 1106Cb 0.33 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1nkk h LEU 1106CO 0.00 -0.02 0.38 0.58 -0.34 0.00 0.00 178.44 179.04 1nkk h VAL 1107N 0.19 1.25 0.00 1.05 2.07 -1.84 -1.84 116.25 117.13 1nkk h VAL 1107Ca 0.28 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1nkk h VAL 1107Cb 0.41 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1nkk h VAL 1107CO -0.40 0.30 -0.03 -1.28 0.02 0.00 0.00 177.57 176.18 1nkk h SER 1108N 1.12 0.00 0.91 0.57 0.87 0.19 -0.63 113.55 116.58 1nkk h SER 1108Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1nkk h SER 1108Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1nkk h SER 1108CO -0.03 0.03 0.00 0.54 -0.53 0.00 0.00 176.83 176.84 1nkk n ARG 1109N -3.32 0.11 -0.57 2.24 1.74 0.08 -5.01 116.66 111.93 1nkk n ARG 1109Ca -0.02 0.23 0.08 0.00 -0.77 0.00 0.00 57.85 57.36 1nkk n ARG 1109Cb 0.16 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.91 1nkk n ARG 1109CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nkk n GLY 1110N 0.67 -1.94 0.00 -0.13 0.00 -0.24 -4.98 105.19 98.57 1nkk n GLY 1110Ca 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1nkk n GLY 1110CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nkk n PRO 1111N -2.84 0.19 -3.92 1.61 -0.02 -1.26 -4.97 135.00 123.79 1nkk n PRO 1111Ca -0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.26 1nkk n PRO 1111Cb 0.26 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.71 1nkk n PRO 1111CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nkk s VAL 1112N -0.68 4.08 0.00 -1.45 0.11 -1.26 -5.01 120.40 116.19 1nkk s VAL 1112Ca 0.00 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.72 1nkk s VAL 1112Cb 0.00 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 1nkk s VAL 1112CO 0.00 -0.26 0.00 -1.54 -3.33 0.00 0.00 175.10 169.97 1nkk n SER 1113N -1.32 0.00 0.03 3.54 3.41 -1.26 -1.91 113.62 116.12 1nkk n SER 1113Ca -0.05 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.68 1nkk n SER 1113Cb 0.59 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.72 1nkk n SER 1113CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1nkk n PRO 1114N 0.00 0.19 -0.96 4.33 -0.04 -1.26 -4.94 135.00 132.32 1nkk n PRO 1114Ca 0.00 0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.19 1nkk n PRO 1114Cb 0.00 -1.61 0.14 0.00 -0.04 0.00 0.00 33.50 31.99 1nkk n PRO 1114CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nkk s LEU 1115N -3.76 2.98 0.02 1.53 1.43 -0.80 -5.03 118.68 115.04 1nkk s LEU 1115Ca 0.07 2.13 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 1nkk s LEU 1115Cb 0.15 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 1nkk s LEU 1115CO 0.72 -2.70 0.06 0.00 0.23 0.00 0.00 176.35 174.66 1nkk s GLN 1116N -4.58 2.93 0.29 1.70 -2.07 -1.26 -4.77 119.66 111.90 1nkk s GLN 1116Ca 0.67 -0.58 -0.29 0.00 -1.82 0.00 0.00 55.36 53.34 1nkk s GLN 1116Cb -0.22 -2.77 -0.14 0.00 -1.09 0.00 0.00 33.01 28.79 1nkk s GLN 1116CO 0.55 0.62 1.14 -2.30 -1.32 0.00 0.00 175.29 173.98 1nkk n PRO 1117N 1.04 1.65 -3.14 9.60 -0.02 -1.26 -4.86 135.00 138.02 1nkk n PRO 1117Ca -0.12 0.58 -0.16 0.00 -2.02 0.00 0.00 63.50 61.78 1nkk n PRO 1117Cb 0.52 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 1nkk n PRO 1117CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1nkk s ASP 1118N -0.37 0.19 0.26 2.55 -1.08 -1.26 -5.04 116.67 111.91 1nkk s ASP 1118Ca 0.59 -2.28 -0.04 0.00 -0.52 0.00 0.00 52.55 50.30 1nkk s ASP 1118Cb -0.66 0.68 0.52 0.00 -1.46 0.00 0.00 42.92 41.99 1nkk s ASP 1118CO 0.59 -0.14 1.63 0.11 0.52 0.00 0.00 175.17 177.89 1nkk h LYS 1119N 5.62 0.11 0.32 4.34 1.57 -1.93 0.80 116.57 127.41 1nkk h LYS 1119Ca 0.15 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1nkk h LYS 1119Cb 1.02 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1nkk h LYS 1119CO 0.20 0.08 -0.21 0.28 -0.57 0.00 0.00 179.45 179.22 1nkk h VAL 1120N 0.12 0.55 -0.76 0.50 2.07 -1.88 0.19 116.25 117.04 1nkk h VAL 1120Ca 0.46 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.99 1nkk h VAL 1120Cb 0.84 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1nkk h VAL 1120CO -0.69 0.00 0.50 0.58 0.02 0.00 0.00 177.57 177.98 1nkk h VAL 1121N -0.52 1.16 -0.43 2.57 2.07 -1.65 -1.09 116.25 118.35 1nkk h VAL 1121Ca -0.03 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1nkk h VAL 1121Cb 0.44 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1nkk h VAL 1121CO 0.02 0.18 0.04 -0.33 0.02 0.00 0.00 177.57 177.50 1nkk h GLU 1122N 0.99 0.73 -0.60 1.57 5.08 -0.75 -1.33 114.58 120.28 1nkk h GLU 1122Ca 0.29 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1nkk h GLU 1122Cb -0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1nkk h GLU 1122CO -0.08 0.79 0.31 0.35 -1.00 0.00 0.00 179.01 179.38 1nkk h PHE 1123N 0.58 0.83 -0.47 4.33 3.57 -0.18 -0.66 116.94 124.95 1nkk h PHE 1123Ca 0.13 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1nkk h PHE 1123Cb 0.43 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1nkk h PHE 1123CO 0.03 0.61 0.23 -0.07 -2.23 0.00 0.00 178.31 176.89 1nkk h LEU 1124N 0.81 0.61 -0.52 0.59 3.38 -1.11 -0.27 115.31 118.80 1nkk h LEU 1124Ca 0.21 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1nkk h LEU 1124Cb 0.07 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.57 1nkk h LEU 1124CO -0.03 0.56 -0.11 0.28 0.09 0.00 0.00 178.44 179.23 1nkk h SER 1125N 0.62 -0.44 -0.19 -0.43 0.02 -0.59 0.40 113.55 112.93 1nkk h SER 1125Ca 0.16 0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 1nkk h SER 1125Cb 0.10 0.31 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1nkk h SER 1125CO -0.02 -0.16 -0.31 1.23 -1.14 0.00 0.00 176.83 176.43 1nkk h GLY 1126N 0.02 0.60 0.58 -3.77 0.00 -0.72 -2.97 103.07 96.81 1nkk h GLY 1126Ca 0.25 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1nkk h GLY 1126CO -0.52 0.61 -0.28 1.76 0.00 0.00 0.00 176.54 178.11 1nkk h SER 1127N 0.20 -0.66 -2.79 0.19 0.02 -0.74 -3.37 113.55 106.40 1nkk h SER 1127Ca 0.01 0.02 -0.71 0.00 -0.84 0.00 0.00 61.79 60.28 1nkk h SER 1127Cb 0.90 0.17 -0.35 0.00 0.14 0.00 0.00 62.40 63.26 1nkk h SER 1127CO 0.07 -0.32 0.09 -1.22 -1.14 0.00 0.00 176.83 174.31 1nkk n TYR 1128N -4.97 3.32 0.91 3.45 0.53 0.10 -4.16 117.16 116.35 1nkk n TYR 1128Ca -0.10 -3.55 0.10 0.00 -1.02 0.00 0.00 57.90 53.33 1nkk n TYR 1128Cb 0.31 -1.00 0.49 0.00 -1.03 0.00 0.00 39.34 38.11 1nkk n TYR 1128CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1nkk n ALA 1129N 1.44 2.03 -2.40 -0.72 0.00 -1.04 -4.62 120.51 115.21 1nkk n ALA 1129Ca 0.26 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.42 1nkk n ALA 1129Cb 0.37 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 1nkk n ALA 1129CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nkk s GLY 1130N -2.61 1.93 0.04 0.00 0.00 0.12 -0.71 107.32 106.10 1nkk s GLY 1130Ca 0.18 -1.98 0.09 0.00 0.00 0.00 0.00 44.72 43.01 1nkk s GLY 1130CO 0.31 -1.73 -0.25 1.08 0.00 0.00 0.00 173.10 172.50 1nkk s LEU 1131N -3.42 2.23 -0.18 0.66 1.02 -0.09 -1.26 118.68 117.65 1nkk s LEU 1131Ca 0.37 -0.56 -0.04 0.00 0.02 0.00 0.00 54.13 53.91 1nkk s LEU 1131Cb 0.08 -1.32 0.07 0.00 0.02 0.00 0.00 46.19 45.05 1nkk s LEU 1131CO 0.14 0.26 0.16 -0.55 0.02 0.00 0.00 176.35 176.39 1nkk s SER 1132N -1.25 1.67 0.50 2.29 0.15 0.11 -4.33 113.70 112.85 1nkk s SER 1132Ca 0.12 -0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.26 1nkk s SER 1132Cb -0.10 0.13 -0.08 0.00 -1.71 0.00 0.00 66.02 64.26 1nkk s SER 1132CO 0.02 -0.33 1.07 -0.22 1.20 0.00 0.00 173.24 174.99 1nkk s LEU 1133N 2.25 3.83 -0.34 3.45 2.96 -1.26 0.16 118.68 129.72 1nkk s LEU 1133Ca 0.05 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 56.01 1nkk s LEU 1133Cb -0.15 -4.55 0.10 0.00 0.50 0.00 0.00 46.19 42.09 1nkk s LEU 1133CO -0.10 -0.92 0.07 -0.55 -1.32 0.00 0.00 176.35 173.53 1nkk s SER 1134N -1.88 4.54 0.34 3.68 0.15 -0.01 -4.90 113.70 115.62 1nkk s SER 1134Ca 0.69 -2.06 0.04 0.00 0.70 0.00 0.00 55.95 55.31 1nkk s SER 1134Cb -0.19 -1.42 -0.06 0.00 -1.71 0.00 0.00 66.02 62.64 1nkk s SER 1134CO 0.23 -0.38 0.06 -0.94 1.20 0.00 0.00 173.24 173.41 1nkk s SER 1135N 1.04 2.51 0.52 5.45 1.04 -1.26 -0.83 113.70 122.16 1nkk s SER 1135Ca 0.11 -1.40 -0.20 0.00 0.48 0.00 0.00 55.95 54.94 1nkk s SER 1135Cb -0.19 -0.05 -0.06 0.00 0.10 0.00 0.00 66.02 65.82 1nkk s SER 1135CO -0.12 -0.62 1.13 0.00 0.98 0.00 0.00 173.24 174.60 1nkk s ARG 1136N -3.87 3.46 0.13 4.02 1.70 -0.85 -4.92 118.95 118.62 1nkk s ARG 1136Ca 0.35 1.63 -0.34 0.00 -0.47 0.00 0.00 55.73 56.91 1nkk s ARG 1136Cb 0.08 -2.09 -0.13 0.00 -0.57 0.00 0.00 34.95 32.24 1nkk s ARG 1136CO 0.15 -0.76 1.65 0.54 -1.08 0.00 0.00 175.30 175.80 1nkk n ARG 1137N -1.12 2.27 -1.39 3.89 1.74 -1.26 -4.71 116.66 116.08 1nkk n ARG 1137Ca 0.11 0.82 -0.50 0.00 -0.77 0.00 0.00 57.85 57.51 1nkk n ARG 1137Cb 0.50 -2.61 -0.12 0.00 -1.02 0.00 0.00 32.46 29.21 1nkk n ARG 1137CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nkk n ASP 1139N 9.56 -1.33 -2.71 0.00 8.00 -1.26 -5.12 116.55 123.69 1nkk n ASP 1139Ca 0.56 -1.24 -0.05 0.00 0.71 0.00 0.00 54.79 54.77 1nkk n ASP 1139Cb 0.06 0.69 0.04 0.00 -0.02 0.00 0.00 41.12 41.90 1nkk n ASP 1139CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1nkk n ASP 1140N 2.13 -2.32 -2.73 -2.24 -0.08 -1.26 -5.16 116.55 104.89 1nkk n ASP 1140Ca 0.07 -2.21 -0.05 0.00 -1.51 0.00 0.00 54.79 51.09 1nkk n ASP 1140Cb 0.68 1.27 0.04 0.00 2.34 0.00 0.00 41.12 45.44 1nkk n ASP 1140CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1nkk n VAL 1141N 2.26 0.00 0.00 5.18 0.31 -1.26 -4.78 118.33 120.03 1nkk n VAL 1141Ca 0.11 -1.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 1nkk n VAL 1141Cb 0.63 1.13 0.00 0.00 -0.91 0.00 0.00 33.84 34.69 1nkk n VAL 1141CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1nkk n GLU 1151N 2.19 2.80 -0.94 5.55 0.00 -1.26 -5.24 120.64 123.73 1nkk n GLU 1151Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1nkk n GLU 1151Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.06 1nkk n GLU 1151CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1nkk n THR 1152N 0.00 0.00 -2.05 6.31 -1.04 -1.26 -4.28 114.28 111.96 1nkk n THR 1152Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1nkk n THR 1152Cb 0.00 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1nkk n THR 1152CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1nkk n THR 1153N -2.94 -4.81 -0.04 12.58 -1.04 -1.26 -4.96 114.28 111.81 1nkk n THR 1153Ca 0.00 0.08 -0.08 0.00 -2.04 0.00 0.00 64.05 62.01 1nkk n THR 1153Cb 0.00 -4.96 -0.02 0.00 -1.82 0.00 0.00 70.33 63.53 1nkk n THR 1153CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1nkk h PRO 1154N 0.40 -0.06 -5.85 -2.82 0.11 -1.91 -3.40 132.00 118.47 1nkk h PRO 1154Ca 0.00 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.54 1nkk h PRO 1154Cb 0.75 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.80 1nkk h PRO 1154CO 0.10 -0.04 0.06 -0.06 -0.21 0.00 0.00 178.00 177.85 1nkk s PHE 1155N -6.19 3.50 -0.26 0.65 0.08 -1.26 -2.01 117.98 112.49 1nkk s PHE 1155Ca -0.14 1.08 -0.16 0.00 0.12 0.00 0.00 56.93 57.83 1nkk s PHE 1155Cb 0.11 -2.76 -0.14 0.00 -0.57 0.00 0.00 43.02 39.67 1nkk s PHE 1155CO 0.69 0.01 -0.21 1.63 -0.10 0.00 0.00 175.22 177.23 1nkk n LYS 1156N 4.20 0.58 -3.87 0.44 4.76 -0.01 -5.01 118.16 119.24 1nkk n LYS 1156Ca -0.02 0.34 -0.03 0.00 -2.87 0.00 0.00 58.31 55.73 1nkk n LYS 1156Cb 0.51 -1.56 0.01 0.00 -1.84 0.00 0.00 35.03 32.16 1nkk n LYS 1156CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1nkk s HIS 1157N -2.48 0.05 -0.03 2.13 -3.43 -1.09 -4.26 115.29 106.17 1nkk s HIS 1157Ca -0.36 -0.41 0.05 0.00 -0.80 0.00 0.00 55.06 53.54 1nkk s HIS 1157Cb 0.12 0.68 -0.01 0.00 -1.43 0.00 0.00 32.58 31.94 1nkk s HIS 1157CO 0.51 -0.84 -0.17 0.08 -2.00 0.00 0.00 174.74 172.31 1nkk s VAL 1158N -2.27 1.42 -0.03 -5.38 1.01 -0.97 -0.83 120.40 113.35 1nkk s VAL 1158Ca 0.21 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1nkk s VAL 1158Cb -0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1nkk s VAL 1158CO 0.04 0.41 -0.21 0.00 0.00 0.00 0.00 175.10 175.34 1nkk s ALA 1159N -0.15 2.40 -0.24 5.51 0.00 0.12 -1.97 121.76 127.43 1nkk s ALA 1159Ca 0.01 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1nkk s ALA 1159Cb -0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1nkk s ALA 1159CO 0.01 0.54 0.48 -0.51 0.00 0.00 0.00 175.76 176.29 1nkk s LEU 1160N -0.71 4.09 0.36 0.00 1.43 0.07 0.05 118.68 123.97 1nkk s LEU 1160Ca 0.11 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.79 1nkk s LEU 1160Cb -0.10 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1nkk s LEU 1160CO -0.00 -0.21 0.19 0.00 0.23 0.00 0.00 176.35 176.55 1nkk h SER 1162N 1.99 0.20 -3.16 0.00 4.64 -1.84 0.46 113.55 115.84 1nkk h SER 1162Ca -0.31 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1nkk h SER 1162Cb 1.25 -0.06 -0.21 0.00 -0.31 0.00 0.00 62.40 63.07 1nkk h SER 1162CO 0.49 0.83 0.07 -0.69 -0.87 0.00 0.00 176.83 176.65 1nkk s VAL 1163N -3.56 0.00 0.59 0.95 1.01 -1.26 -3.76 120.40 114.38 1nkk s VAL 1163Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1nkk s VAL 1163Cb 0.12 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1nkk s VAL 1163CO 0.80 0.00 1.02 -0.83 0.00 0.00 0.00 175.10 176.09 1nkk s GLY 1164N 1.36 1.81 0.36 4.51 0.00 -1.26 -4.93 107.32 109.18 1nkk s GLY 1164Ca -0.08 0.04 0.24 0.00 0.00 0.00 0.00 44.72 44.92 1nkk s GLY 1164CO -0.16 0.32 1.67 3.21 0.00 0.00 0.00 173.10 178.15 1nkk h ARG 1165N 0.07 0.00 -5.91 2.90 3.08 -1.99 -3.43 114.38 109.10 1nkk h ARG 1165Ca -0.45 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 58.96 1nkk h ARG 1165Cb 1.19 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.17 1nkk h ARG 1165CO 0.61 0.00 -0.53 1.03 -1.07 0.00 0.00 179.97 180.01 1nkk s ARG 1166N -3.18 3.28 0.34 0.04 0.52 -1.26 -4.82 118.95 113.87 1nkk s ARG 1166Ca 0.08 -0.41 -0.15 0.00 -0.52 0.00 0.00 55.73 54.73 1nkk s ARG 1166Cb 0.08 -2.99 -0.09 0.00 0.52 0.00 0.00 34.95 32.47 1nkk s ARG 1166CO 0.64 0.65 0.76 1.03 0.02 0.00 0.00 175.30 178.40 1nkk s ARG 1167N -1.97 3.99 0.00 3.54 1.81 -1.26 -3.90 118.95 121.16 1nkk s ARG 1167Ca 0.27 0.68 0.00 0.00 -1.72 0.00 0.00 55.73 54.96 1nkk s ARG 1167Cb -0.12 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.97 1nkk s ARG 1167CO 0.18 0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.33 1nkk n GLY 1168N -0.51 0.53 1.83 -3.53 0.00 -1.26 -4.29 105.19 97.96 1nkk n GLY 1168Ca 0.04 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 1nkk n GLY 1168CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nkk n THR 1169N -2.88 2.50 -1.80 2.61 -2.24 -1.25 -3.90 114.28 107.33 1nkk n THR 1169Ca 0.00 -1.32 -0.41 0.00 -2.27 0.00 0.00 64.05 60.05 1nkk n THR 1169Cb 0.00 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 67.55 1nkk n THR 1169CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1nkk s LEU 1170N -2.22 4.33 -0.29 3.22 2.96 -1.26 -0.91 118.68 124.51 1nkk s LEU 1170Ca 0.38 3.01 -0.10 0.00 -0.22 0.00 0.00 54.13 57.21 1nkk s LEU 1170Cb 0.32 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 1nkk s LEU 1170CO 0.07 -0.88 0.16 0.00 -1.32 0.00 0.00 176.35 174.37 1nkk s ALA 1171N -0.74 3.37 -0.27 5.97 0.00 0.11 -4.24 121.76 125.97 1nkk s ALA 1171Ca 0.56 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 1nkk s ALA 1171Cb -0.47 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1nkk s ALA 1171CO 0.58 -0.68 0.18 0.08 0.00 0.00 0.00 175.76 175.92 1nkk s VAL 1172N 1.68 5.32 0.07 0.00 1.01 -0.19 -4.80 120.40 123.50 1nkk s VAL 1172Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1nkk s VAL 1172Cb -0.16 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1nkk s VAL 1172CO 0.08 0.28 0.22 -0.31 0.00 0.00 0.00 175.10 175.36 1nkk s TYR 1173N 1.57 3.52 -0.11 5.22 2.02 -1.26 -1.17 117.35 127.15 1nkk s TYR 1173Ca 0.07 0.23 -0.33 0.00 -0.37 0.00 0.00 57.07 56.68 1nkk s TYR 1173Cb -0.15 -1.75 0.12 0.00 -0.40 0.00 0.00 41.96 39.78 1nkk s TYR 1173CO 0.09 0.58 1.15 0.20 -1.57 0.00 0.00 175.55 176.01 1nkk s GLY 1174N -2.60 -0.34 0.19 0.71 0.00 0.12 -4.67 107.32 100.73 1nkk s GLY 1174Ca 0.35 1.25 0.15 0.00 0.00 0.00 0.00 44.72 46.47 1nkk s GLY 1174CO 0.28 0.39 1.22 3.21 0.00 0.00 0.00 173.10 178.20 1nkk h ARG 1175N 2.00 0.00 -5.51 2.90 2.47 -1.89 0.30 114.38 114.64 1nkk h ARG 1175Ca -0.16 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.89 1nkk h ARG 1175Cb 1.19 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.23 1nkk h ARG 1175CO 0.25 0.45 -0.80 0.34 0.56 0.00 0.00 179.97 180.78 1nkk s ASP 1176N -6.23 3.77 0.23 7.04 3.68 -1.26 -4.61 116.67 119.28 1nkk s ASP 1176Ca 0.01 -0.37 -0.07 0.00 2.13 0.00 0.00 52.55 54.26 1nkk s ASP 1176Cb 0.08 -1.41 0.32 0.00 -1.45 0.00 0.00 42.92 40.46 1nkk s ASP 1176CO 0.77 0.20 1.82 1.55 0.13 0.00 0.00 175.17 179.63 1nkk h PRO 1177N 6.47 0.76 0.64 4.34 0.13 -1.96 -1.82 132.00 140.55 1nkk h PRO 1177Ca -0.28 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1nkk h PRO 1177Cb 1.21 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1nkk h PRO 1177CO 0.53 0.50 -0.32 0.93 -0.23 0.00 0.00 178.00 179.40 1nkk h GLU 1178N 0.78 -0.85 -0.78 0.86 4.39 -1.99 -1.73 114.58 115.26 1nkk h GLU 1178Ca 0.35 0.06 0.18 0.00 0.34 0.00 0.00 59.36 60.29 1nkk h GLU 1178Cb 0.26 0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 28.98 1nkk h GLU 1178CO -0.21 -0.57 0.20 2.35 -1.16 0.00 0.00 179.01 179.63 1nkk h TRP 1179N -0.88 0.32 0.60 4.33 7.01 -1.93 0.20 115.95 125.60 1nkk h TRP 1179Ca -0.08 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1nkk h TRP 1179Cb 0.69 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.72 1nkk h TRP 1179CO -0.04 -0.10 -0.36 0.28 -2.79 0.00 0.00 178.44 175.43 1nkk h VAL 1180N 0.27 0.27 -0.89 2.65 2.07 -1.09 -2.52 116.25 117.01 1nkk h VAL 1180Ca 0.45 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.15 1nkk h VAL 1180Cb 0.80 0.27 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 1nkk h VAL 1180CO -0.54 0.00 0.46 0.74 0.02 0.00 0.00 177.57 178.25 1nkk h THR 1181N -0.90 0.64 0.00 2.57 2.02 -0.30 0.18 112.91 117.11 1nkk h THR 1181Ca -0.07 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1nkk h THR 1181Cb 0.73 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1nkk h THR 1181CO 0.08 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.08 1nkk n GLN 1182N -4.91 0.07 0.17 6.66 1.13 0.59 -2.33 117.38 118.77 1nkk n GLN 1182Ca 0.20 0.25 0.12 0.00 -1.94 0.00 0.00 57.00 55.64 1nkk n GLN 1182Cb 0.53 -1.50 0.22 0.00 0.11 0.00 0.00 30.24 29.61 1nkk n GLN 1182CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nkk h ARG 1183N 0.00 0.00 -4.32 -1.09 2.47 -0.47 -3.42 114.38 107.54 1nkk h ARG 1183Ca 0.00 0.00 -0.73 0.00 -1.26 0.00 0.00 59.98 57.99 1nkk h ARG 1183Cb 0.07 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 28.14 1nkk h ARG 1183CO 0.00 0.00 -0.36 -0.06 0.56 0.00 0.00 179.97 180.11 1nkk s PHE 1184N -3.19 3.29 0.22 3.04 0.40 -0.98 -4.37 117.98 116.39 1nkk s PHE 1184Ca 0.07 -1.26 -0.08 0.00 -0.60 0.00 0.00 56.93 55.07 1nkk s PHE 1184Cb 0.08 -3.22 0.31 0.00 0.51 0.00 0.00 43.02 40.70 1nkk s PHE 1184CO 0.66 -0.86 1.79 -1.00 0.70 0.00 0.00 175.22 176.51 1nkk h PRO 1185N 8.63 0.62 -1.21 0.24 0.13 -1.83 -2.64 132.00 135.94 1nkk h PRO 1185Ca -0.26 -0.04 0.36 0.00 -0.87 0.00 0.00 66.00 65.19 1nkk h PRO 1185Cb 1.10 -0.14 -0.10 0.00 0.13 0.00 0.00 31.00 31.98 1nkk h PRO 1185CO 0.86 0.41 0.80 -0.44 -0.23 0.00 0.00 178.00 179.40 1nkk h ASP 1186N 0.64 0.29 -2.75 1.44 3.32 -1.94 -3.41 116.42 114.02 1nkk h ASP 1186Ca 0.34 0.09 -0.54 0.00 0.02 0.00 0.00 57.03 56.94 1nkk h ASP 1186Cb 0.31 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1nkk h ASP 1186CO -0.24 -0.05 0.97 -0.76 -1.72 0.00 0.00 179.24 177.44 1nkk s LEU 1187N -9.36 4.33 0.68 1.55 1.43 -1.00 -4.98 118.68 111.33 1nkk s LEU 1187Ca -0.08 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 1nkk s LEU 1187Cb 0.27 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.94 1nkk s LEU 1187CO 0.81 -0.84 1.06 0.42 0.23 0.00 0.00 176.35 178.04 1nkk s THR 1188N 3.06 4.06 0.49 5.49 -4.23 -1.26 -4.91 115.64 118.34 1nkk s THR 1188Ca 0.69 0.67 0.15 0.00 -1.18 0.00 0.00 61.69 62.03 1nkk s THR 1188Cb -0.34 -3.57 0.24 0.00 1.34 0.00 0.00 72.50 70.17 1nkk s THR 1188CO 0.29 -0.87 2.10 0.00 -0.54 0.00 0.00 174.62 175.59 1nkk h ALA 1189N -0.59 1.89 -0.13 3.99 0.00 -1.96 0.40 119.26 122.86 1nkk h ALA 1189Ca -0.45 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1nkk h ALA 1189Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1nkk h ALA 1189CO 0.61 0.08 -0.26 0.00 0.00 0.00 0.00 179.25 179.68 1nkk h ALA 1190N 1.93 1.33 -0.37 0.00 0.00 -2.00 -1.93 119.26 118.22 1nkk h ALA 1190Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1nkk h ALA 1190Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nkk h ALA 1190CO 0.01 0.46 -0.41 -0.44 0.00 0.00 0.00 179.25 178.87 1nkk h ASP 1191N 0.21 0.99 0.50 0.00 3.45 -1.29 -2.68 116.42 117.60 1nkk h ASP 1191Ca 0.03 -0.47 -0.07 0.00 0.43 0.00 0.00 57.03 56.96 1nkk h ASP 1191Cb 0.57 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1nkk h ASP 1191CO 0.04 1.26 -0.31 0.03 -1.57 0.00 0.00 179.24 178.69 1nkk h ARG 1192N 0.75 0.00 -0.21 3.56 3.08 -1.04 -1.59 114.38 118.92 1nkk h ARG 1192Ca 0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 1nkk h ARG 1192Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 1nkk h ARG 1192CO 0.10 0.31 -0.60 -0.44 -1.07 0.00 0.00 179.97 178.27 1nkk h ASP 1193N 0.00 0.79 0.28 7.04 3.32 -1.14 0.79 116.42 127.50 1nkk h ASP 1193Ca -0.00 -0.44 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 1nkk h ASP 1193Cb 0.64 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1nkk h ASP 1193CO 0.04 1.21 -0.52 1.23 -1.72 0.00 0.00 179.24 179.48 1nkk h GLY 1194N 0.87 0.30 0.85 2.75 0.00 -1.17 -1.06 103.07 105.61 1nkk h GLY 1194Ca -0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 1nkk h GLY 1194CO 0.12 0.30 -0.54 1.41 0.00 0.00 0.00 176.54 177.83 1nkk h LEU 1195N 0.21 0.59 -0.78 3.11 3.38 -1.06 -3.21 115.31 117.55 1nkk h LEU 1195Ca 0.01 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 57.27 1nkk h LEU 1195Cb 0.99 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1nkk h LEU 1195CO 0.08 1.18 0.41 -0.09 0.09 0.00 0.00 178.44 180.12 1nkk h ARG 1196N 0.04 1.09 -0.34 1.13 2.43 0.71 -1.92 114.38 117.52 1nkk h ARG 1196Ca -0.05 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1nkk h ARG 1196Cb 1.21 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1nkk h ARG 1196CO 0.11 0.82 0.24 0.00 -1.51 0.00 0.00 179.97 179.62 1nkk h ALA 1197N 1.21 2.14 0.00 2.80 0.00 -1.24 -2.62 119.26 121.56 1nkk h ALA 1197Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nkk h ALA 1197Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nkk h ALA 1197CO -0.04 -0.22 -0.00 1.96 0.00 0.00 0.00 179.25 180.95 1nkk h GLN 1198N 0.14 -0.00 -0.23 0.00 4.20 -1.37 -3.29 115.11 114.57 1nkk h GLN 1198Ca 0.16 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.93 1nkk h GLN 1198Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1nkk h GLN 1198CO -0.02 -0.00 0.18 0.11 -0.67 0.00 0.00 178.83 178.43 1nkk h TRP 1199N -0.58 0.00 -0.01 2.96 0.09 -1.43 0.24 115.95 117.23 1nkk h TRP 1199Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.89 58.82 1nkk h TRP 1199Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.22 1nkk h TRP 1199CO 0.00 0.00 -0.74 1.96 0.09 0.00 0.00 178.44 179.75 1nkk h GLN 1200N 0.00 0.05 0.00 0.12 4.20 -1.66 -2.56 115.11 115.27 1nkk h GLN 1200Ca 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1nkk h GLN 1200Cb 0.47 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1nkk h GLN 1200CO -0.00 0.77 0.00 -2.13 -0.67 0.00 0.00 178.83 176.79 1nkk n ARG 1201N -3.69 0.52 -3.78 1.46 0.63 0.80 -5.13 116.66 107.46 1nkk n ARG 1201Ca -0.01 0.04 -0.10 0.00 -0.92 0.00 0.00 57.85 56.86 1nkk n ARG 1201Cb 0.71 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 32.08 1nkk n ARG 1201CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nkk s GLY 1211N -2.89 1.64 -0.59 0.00 0.00 -1.26 -4.92 107.32 99.30 1nkk s GLY 1211Ca 0.10 -0.83 -0.33 0.00 0.00 0.00 0.00 44.72 43.66 1nkk s GLY 1211CO -0.04 -0.13 2.39 1.34 0.00 0.00 0.00 173.10 176.65 1nkk n ASP 1212N -3.99 1.50 -0.50 1.64 -0.08 -1.26 -4.80 116.55 109.06 1nkk n ASP 1212Ca 0.11 0.16 0.03 0.00 -1.51 0.00 0.00 54.79 53.57 1nkk n ASP 1212Cb 0.59 -1.20 0.09 0.00 2.34 0.00 0.00 41.12 42.94 1nkk n ASP 1212CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1nkk n PRO 1213N 8.40 1.61 -2.92 -0.67 -0.04 -1.26 -4.85 135.00 135.28 1nkk n PRO 1213Ca 0.49 -0.72 -0.43 0.00 -0.04 0.00 0.00 63.50 62.80 1nkk n PRO 1213Cb 0.22 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 1nkk n PRO 1213CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1nkk s PHE 1214N -1.66 3.03 -0.51 0.54 2.19 -1.16 -4.09 117.98 116.32 1nkk s PHE 1214Ca 0.13 0.42 0.03 0.00 0.33 0.00 0.00 56.93 57.84 1nkk s PHE 1214Cb 0.08 -3.62 0.43 0.00 -1.31 0.00 0.00 43.02 38.59 1nkk s PHE 1214CO 0.07 -0.90 1.48 0.54 1.83 0.00 0.00 175.22 178.24 1nkk n ARG 1215N 6.70 3.23 -1.13 10.12 5.12 -0.03 -5.00 116.66 135.67 1nkk n ARG 1215Ca 0.04 -3.99 0.00 0.00 -1.93 0.00 0.00 57.85 51.97 1nkk n ARG 1215Cb 0.48 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 1nkk n ARG 1215CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1nkk n SER 1216N -0.65 0.00 -1.89 0.55 2.88 -0.96 -4.77 113.62 108.78 1nkk n SER 1216Ca 0.48 -0.58 -0.05 0.00 -1.33 0.00 0.00 58.87 57.39 1nkk n SER 1216Cb 0.69 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.15 1nkk n SER 1216CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nkk n ASP 1217N -1.69 -1.02 0.22 -3.46 5.68 -1.26 -5.02 116.55 109.99 1nkk n ASP 1217Ca 0.00 -1.81 0.08 0.00 -0.50 0.00 0.00 54.79 52.56 1nkk n ASP 1217Cb 0.00 1.73 0.61 0.00 -1.14 0.00 0.00 41.12 42.32 1nkk n ASP 1217CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1nkk h SER 1218N 0.96 0.07 -0.73 -1.12 4.64 -1.97 -1.44 113.55 113.95 1nkk h SER 1218Ca -0.16 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 1nkk h SER 1218Cb 0.60 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 1nkk h SER 1218CO 0.20 0.05 0.30 1.88 -0.87 0.00 0.00 176.83 178.39 1nkk h TYR 1219N 0.08 1.11 -0.43 4.77 0.05 -1.98 0.13 116.97 120.70 1nkk h TYR 1219Ca 0.03 -0.08 -0.12 0.00 0.05 0.00 0.00 58.73 58.60 1nkk h TYR 1219Cb 0.01 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.40 1nkk h TYR 1219CO -0.00 0.85 -0.22 0.78 -1.05 0.00 0.00 178.16 178.52 1nkk h GLY 1220N 1.05 0.98 1.27 3.88 0.00 -1.68 -1.20 103.07 107.37 1nkk h GLY 1220Ca 0.25 -0.89 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 1nkk h GLY 1220CO -0.02 0.81 0.05 1.41 0.00 0.00 0.00 176.54 178.79 1nkk h LEU 1221N 0.73 0.85 -0.73 3.11 3.38 -1.13 0.18 115.31 121.70 1nkk h LEU 1221Ca 0.09 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1nkk h LEU 1221Cb 0.79 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1nkk h LEU 1221CO 0.06 0.89 0.18 0.25 0.09 0.00 0.00 178.44 179.91 1nkk h LEU 1222N 0.84 1.08 -0.05 1.67 6.46 -0.52 -1.02 115.31 123.77 1nkk h LEU 1222Ca 0.17 -0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1nkk h LEU 1222Cb 0.42 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1nkk h LEU 1222CO 0.01 1.03 -0.04 1.23 -0.62 0.00 0.00 178.44 180.05 1nkk h GLY 1223N 1.09 0.14 1.84 3.75 0.00 -0.64 -2.92 103.07 106.33 1nkk h GLY 1223Ca 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1nkk h GLY 1223CO 0.00 0.12 0.08 -0.57 0.00 0.00 0.00 176.54 176.17 1nkk h ASN 1224N -0.30 0.00 1.14 0.19 -1.24 -0.51 -2.04 115.58 112.82 1nkk h ASN 1224Ca 0.01 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.85 1nkk h ASN 1224Cb 0.53 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 1nkk h ASN 1224CO 0.01 0.00 -0.81 0.77 -1.29 0.00 0.00 177.43 176.11 1nkk h SER 1225N 0.00 0.00 0.75 1.15 4.64 -0.98 -2.89 113.55 116.21 1nkk h SER 1225Ca 0.01 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1nkk h SER 1225Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1nkk h SER 1225CO -0.00 0.81 -0.71 1.62 -0.87 0.00 0.00 176.83 177.68 1nkk h VAL 1226N 0.00 1.49 -0.77 0.95 3.04 -1.37 -2.72 116.25 116.88 1nkk h VAL 1226Ca -0.01 -2.46 -0.06 0.00 -1.01 0.00 0.00 66.70 63.17 1nkk h VAL 1226Cb 1.60 2.33 -0.03 0.00 -2.01 0.00 0.00 31.29 33.18 1nkk h VAL 1226CO 0.11 0.70 0.26 0.44 -1.01 0.00 0.00 177.57 178.06 1nkk h ASP 1227N 0.00 1.10 0.82 3.17 3.45 -1.48 -0.64 116.42 122.83 1nkk h ASP 1227Ca -0.01 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1nkk h ASP 1227Cb 1.28 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 1nkk h ASP 1227CO 0.09 1.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.76 1nkk h ALA 1228N 1.14 1.00 0.00 3.45 0.00 -1.29 -2.74 119.26 120.83 1nkk h ALA 1228Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1nkk h ALA 1228Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nkk h ALA 1228CO -0.01 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.17 1nkk h LEU 1229N 0.00 0.00 -3.09 0.00 3.38 -0.81 -3.23 115.31 111.57 1nkk h LEU 1229Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nkk h LEU 1229Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1nkk h LEU 1229CO 0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 1nkk n TYR 1230N -2.31 0.35 -2.91 1.13 4.01 -1.03 -4.97 117.16 111.43 1nkk n TYR 1230Ca 0.03 -0.92 -0.42 0.00 -0.16 0.00 0.00 57.90 56.44 1nkk n TYR 1230Cb 0.31 -0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 39.10 1nkk n TYR 1230CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1nkk s ILE 1231N -2.72 4.79 0.42 -0.72 1.01 -1.22 -5.01 121.20 117.75 1nkk s ILE 1231Ca 0.34 1.33 -0.26 0.00 0.00 0.00 0.00 60.65 62.06 1nkk s ILE 1231Cb 0.28 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 1nkk s ILE 1231CO 0.05 -0.21 1.42 -0.13 0.00 0.00 0.00 174.94 176.08 1nkk s ARG 1232N 2.96 3.89 -1.38 2.79 1.81 -1.26 -3.10 118.95 124.65 1nkk s ARG 1232Ca 0.34 2.42 0.00 0.00 -1.72 0.00 0.00 55.73 56.77 1nkk s ARG 1232Cb -0.14 -2.79 0.00 0.00 -0.45 0.00 0.00 34.95 31.57 1nkk s ARG 1232CO 0.11 -0.65 0.00 0.39 -0.68 0.00 0.00 175.30 174.47 1nkk n GLU 1233N 0.10 -1.43 -0.13 3.54 -0.58 -1.26 -4.93 120.64 115.96 1nkk n GLU 1233Ca 0.03 0.94 -0.08 0.00 -0.42 0.00 0.00 57.16 57.64 1nkk n GLU 1233Cb 0.41 -5.24 -0.06 0.00 -0.57 0.00 0.00 31.44 25.98 1nkk n GLU 1233CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1nkk h ARG 1234N 0.04 -0.17 -0.50 3.49 2.43 -1.94 0.64 114.38 118.37 1nkk h ARG 1234Ca -0.27 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1nkk h ARG 1234Cb 1.11 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1nkk h ARG 1234CO 0.39 -0.11 0.28 -0.07 -1.51 0.00 0.00 179.97 178.95 1nkk h LEU 1235N -0.17 0.62 -1.19 3.80 4.07 -1.91 -1.88 115.31 118.64 1nkk h LEU 1235Ca 0.06 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 1nkk h LEU 1235Cb 0.33 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 1nkk h LEU 1235CO -0.42 0.53 0.43 -0.65 -1.08 0.00 0.00 178.44 177.25 1nkk h PRO 1236N 0.66 0.98 -0.38 1.13 0.11 -1.87 0.76 132.00 133.40 1nkk h PRO 1236Ca 0.18 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 66.05 1nkk h PRO 1236Cb 0.04 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1nkk h PRO 1236CO -0.03 0.69 -0.35 0.87 -0.21 0.00 0.00 178.00 178.97 1nkk h LYS 1237N 1.00 0.90 -0.31 1.05 1.57 -0.69 -1.90 116.57 118.19 1nkk h LYS 1237Ca 0.26 -0.47 -0.13 0.00 -1.87 0.00 0.00 60.65 58.44 1nkk h LYS 1237Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1nkk h LYS 1237CO -0.05 1.12 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.53 1nkk h LEU 1238N 0.71 0.74 -0.56 2.94 4.07 -0.95 0.92 115.31 123.19 1nkk h LEU 1238Ca 0.06 -0.31 -0.12 0.00 0.08 0.00 0.00 57.88 57.59 1nkk h LEU 1238Cb 0.94 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 1nkk h LEU 1238CO 0.09 1.02 -0.16 0.03 -1.08 0.00 0.00 178.44 178.34 1nkk h ARG 1239N 0.59 0.99 -0.25 1.13 3.08 -0.81 0.10 114.38 119.20 1nkk h ARG 1239Ca 0.06 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1nkk h ARG 1239Cb 0.88 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1nkk h ARG 1239CO 0.08 1.07 0.16 -0.92 -1.07 0.00 0.00 179.97 179.29 1nkk h TYR 1240N 0.87 0.33 -0.76 3.04 3.20 -1.07 -1.76 116.97 120.81 1nkk h TYR 1240Ca 0.12 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1nkk h TYR 1240Cb 0.73 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1nkk h TYR 1240CO 0.05 0.22 0.51 -0.44 -1.64 0.00 0.00 178.16 176.86 1nkk h ASP 1241N 0.33 0.87 -0.90 -2.11 3.32 -0.46 -2.30 116.42 115.18 1nkk h ASP 1241Ca 0.09 -0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.28 1nkk h ASP 1241Cb -0.02 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.24 1nkk h ASP 1241CO -0.02 0.63 0.58 0.50 -1.72 0.00 0.00 179.24 179.21 1nkk h LYS 1242N 1.03 0.64 0.10 3.56 3.64 0.03 -1.84 116.57 123.73 1nkk h LYS 1242Ca 0.28 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 59.35 1nkk h LYS 1242Cb -0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1nkk h LYS 1242CO -0.06 0.42 -1.31 1.96 -2.27 0.00 0.00 179.45 178.19 1nkk h GLN 1243N 0.66 0.21 -0.39 1.90 4.20 -0.84 -2.96 115.11 117.88 1nkk h GLN 1243Ca 0.46 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1nkk h GLN 1243Cb 0.80 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1nkk h GLN 1243CO -0.22 1.12 0.22 1.25 -0.67 0.00 0.00 178.83 180.53 1nkk h LEU 1244N 0.06 0.48 0.00 1.46 5.85 -0.90 -2.99 115.31 119.26 1nkk h LEU 1244Ca -0.15 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1nkk h LEU 1244Cb 1.95 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1nkk h LEU 1244CO 0.17 0.41 -0.17 1.33 -0.34 0.00 0.00 178.44 179.84 1nkk n VAL 1245N -4.76 0.40 -0.37 1.05 0.24 -0.91 -4.96 118.33 109.02 1nkk n VAL 1245Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1nkk n VAL 1245Cb 0.07 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 1nkk n VAL 1245CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nkk n GLY 1246N 1.36 0.73 0.00 7.63 0.00 -1.13 -4.19 105.19 109.59 1nkk n GLY 1246Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1nkk n GLY 1246CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nkk n VAL 1247N -2.14 0.00 0.01 1.61 0.31 -1.12 -1.73 118.33 115.27 1nkk n VAL 1247Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1nkk n VAL 1247Cb 0.00 -0.46 -0.14 0.00 -0.91 0.00 0.00 33.84 32.33 1nkk n VAL 1247CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1nkk h THR 1248N 0.00 1.03 -0.15 2.52 2.02 -1.89 -3.34 112.91 113.10 1nkk h THR 1248Ca 0.00 -2.41 -0.12 0.00 0.77 0.00 0.00 66.41 64.66 1nkk h THR 1248Cb 0.00 2.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 1nkk h THR 1248CO 0.00 0.71 -0.43 -0.33 0.37 0.00 0.00 175.52 175.85 1nkk h GLU 1249N -0.28 0.34 -7.09 6.66 5.08 -1.66 -3.45 114.58 114.19 1nkk h GLU 1249Ca -0.30 -0.17 -0.46 0.00 -1.00 0.00 0.00 59.36 57.42 1nkk h GLU 1249Cb 1.78 0.00 0.08 0.00 0.50 0.00 0.00 28.75 31.11 1nkk h GLU 1249CO 0.07 0.71 0.09 1.03 -1.00 0.00 0.00 179.01 179.91 1nkk s ARG 1250N -4.14 1.81 -0.06 2.33 1.81 -1.03 -5.10 118.95 114.57 1nkk s ARG 1250Ca -0.05 -1.03 0.04 0.00 -1.72 0.00 0.00 55.73 52.97 1nkk s ARG 1250Cb 0.13 -2.34 -0.02 0.00 -0.45 0.00 0.00 34.95 32.27 1nkk s ARG 1250CO 0.79 -1.35 -0.18 -2.00 -0.68 0.00 0.00 175.30 171.88 1nkk s GLU 1251N -5.10 2.59 0.19 3.54 2.56 -1.26 -4.88 118.70 116.33 1nkk s GLU 1251Ca 0.65 -0.78 -0.06 0.00 0.00 0.00 0.00 54.97 54.79 1nkk s GLU 1251Cb -0.06 -2.32 0.02 0.00 2.00 0.00 0.00 34.13 33.77 1nkk s GLU 1251CO 0.44 0.50 0.35 -1.13 -0.56 0.00 0.00 175.26 174.85 1nkk n SER 1252N 2.65 -1.01 -0.75 -1.70 3.41 -1.26 -4.98 113.62 109.99 1nkk n SER 1252Ca -0.17 -1.81 0.07 0.00 -0.26 0.00 0.00 58.87 56.69 1nkk n SER 1252Cb 0.52 1.71 0.18 0.00 -0.26 0.00 0.00 64.21 66.37 1nkk n SER 1252CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nkk n TYR 1253N -0.27 0.53 -1.87 7.33 4.01 -1.26 -4.67 117.16 120.97 1nkk n TYR 1253Ca -0.03 -0.27 -0.40 0.00 -0.16 0.00 0.00 57.90 57.04 1nkk n TYR 1253Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 1nkk n TYR 1253CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1nkk s VAL 1254N -1.47 2.22 -0.45 -0.72 1.01 -1.26 -4.73 120.40 115.00 1nkk s VAL 1254Ca 0.27 0.19 0.13 0.00 0.00 0.00 0.00 61.98 62.57 1nkk s VAL 1254Cb 0.14 -3.11 -0.16 0.00 0.00 0.00 0.00 36.38 33.25 1nkk s VAL 1254CO 0.19 0.03 0.47 0.29 0.00 0.00 0.00 175.10 176.08 1nkk n LYS 1255N -0.16 2.15 0.00 2.72 4.76 -1.26 -5.05 118.16 121.32 1nkk n LYS 1255Ca 0.05 -0.03 0.07 0.00 -2.87 0.00 0.00 58.31 55.53 1nkk n LYS 1255Cb 0.42 -1.16 0.41 0.00 -1.84 0.00 0.00 35.03 32.87 1nkk n LYS 1255CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03