#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cal s ASP 1004N 0.00 6.93 -0.08 -1.43 2.15 -0.33 -4.79 116.67 119.11 2cal s ASP 1004Ca 0.00 1.44 0.14 0.00 0.43 0.00 0.00 52.55 54.56 2cal s ASP 1004Cb 0.00 -2.54 0.28 0.00 -0.30 0.00 0.00 42.92 40.36 2cal s ASP 1004CO 0.00 -0.82 1.13 0.35 -0.17 0.00 0.00 175.17 175.67 2cal n THR 1005N 5.59 1.01 -4.20 1.71 -2.24 -1.26 -0.71 114.28 114.17 2cal n THR 1005Ca 0.13 -1.60 -0.34 0.00 -2.27 0.00 0.00 64.05 59.98 2cal n THR 1005Cb 0.46 0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.83 2cal n THR 1005CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cal s THR 1006N -1.50 4.03 0.06 4.28 2.01 -1.26 -5.01 115.64 118.25 2cal s THR 1006Ca 0.26 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2cal s THR 1006Cb 0.25 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 2cal s THR 1006CO -0.05 0.46 -0.14 0.26 -0.69 0.00 0.00 174.62 174.46 2cal s TRP 1007N 0.67 1.22 0.39 4.92 0.52 -1.26 -4.65 118.94 120.74 2cal s TRP 1007Ca -0.01 -0.43 0.08 0.00 0.02 0.00 0.00 56.10 55.76 2cal s TRP 1007Cb -0.14 -0.69 -0.07 0.00 -1.15 0.00 0.00 33.47 31.41 2cal s TRP 1007CO 0.02 0.05 0.01 0.15 0.02 0.00 0.00 176.95 177.21 2cal s LYS 1008N -1.57 1.98 0.00 4.98 3.01 -0.12 -4.94 119.74 123.08 2cal s LYS 1008Ca -0.01 -1.99 0.07 0.00 -1.01 0.00 0.00 55.97 53.03 2cal s LYS 1008Cb -0.09 -1.74 -0.03 0.00 -1.01 0.00 0.00 37.83 34.96 2cal s LYS 1008CO 0.02 0.00 -0.21 -1.21 0.51 0.00 0.00 175.35 174.46 2cal s GLU 1009N -3.72 2.13 0.01 1.68 0.41 -1.26 -1.20 118.70 116.75 2cal s GLU 1009Ca 0.35 -0.92 0.04 0.00 -0.41 0.00 0.00 54.97 54.04 2cal s GLU 1009Cb 0.06 -2.14 -0.01 0.00 -1.78 0.00 0.00 34.13 30.26 2cal s GLU 1009CO 0.19 0.56 -0.14 0.00 -0.49 0.00 0.00 175.26 175.38 2cal s ALA 1010N -0.75 1.15 0.85 5.21 0.00 0.22 -4.90 121.76 123.53 2cal s ALA 1010Ca 0.12 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 2cal s ALA 1010Cb -0.10 -0.25 0.10 0.00 0.00 0.00 0.00 23.12 22.87 2cal s ALA 1010CO 0.01 0.26 1.16 0.95 0.00 0.00 0.00 175.76 178.14 2cal s THR 1011N -0.52 2.08 0.17 0.00 -4.23 -1.26 -0.98 115.64 110.89 2cal s THR 1011Ca 0.04 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.43 2cal s THR 1011Cb -0.06 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.90 2cal s THR 1011CO 0.00 -0.03 1.83 0.25 -0.54 0.00 0.00 174.62 176.13 2cal h LEU 1012N -1.22 0.53 -1.34 4.79 5.85 -1.99 -0.11 115.31 121.82 2cal h LEU 1012Ca -0.48 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.26 2cal h LEU 1012Cb 1.33 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2cal h LEU 1012CO 0.64 0.39 0.47 1.55 -0.34 0.00 0.00 178.44 181.14 2cal h PRO 1013N 0.64 0.84 -0.66 5.25 0.13 -1.99 -0.71 132.00 135.50 2cal h PRO 1013Ca 0.18 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 2cal h PRO 1013Cb -0.06 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 30.85 2cal h PRO 1013CO -0.05 0.55 0.16 1.96 -0.23 0.00 0.00 178.00 180.39 2cal h GLN 1014N 0.86 1.06 -0.09 0.86 4.20 -1.73 -1.37 115.11 118.90 2cal h GLN 1014Ca 0.28 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2cal h GLN 1014Cb 0.05 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2cal h GLN 1014CO -0.08 0.95 0.05 0.28 -0.67 0.00 0.00 178.83 179.36 2cal h VAL 1015N 0.98 1.08 -0.71 -0.54 2.07 -0.20 -0.81 116.25 118.12 2cal h VAL 1015Ca 0.21 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2cal h VAL 1015Cb 0.37 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2cal h VAL 1015CO 0.00 0.07 0.42 0.11 0.02 0.00 0.00 177.57 178.19 2cal h LYS 1016N 0.06 0.77 -0.79 1.57 6.56 -1.09 -0.71 116.57 122.94 2cal h LYS 1016Ca 0.03 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2cal h LYS 1016Cb 0.07 -0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 31.51 2cal h LYS 1016CO -0.01 0.51 0.52 0.00 -2.06 0.00 0.00 179.45 178.41 2cal h ALA 1017N 1.33 1.00 -0.33 3.86 0.00 -0.87 -2.77 119.26 121.49 2cal h ALA 1017Ca 0.30 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 2cal h ALA 1017Cb 0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2cal h ALA 1017CO -0.15 0.42 -0.48 0.52 0.00 0.00 0.00 179.25 179.57 2cal h MET 1018N 1.07 0.88 -0.37 0.00 2.86 -0.39 -3.18 114.93 115.81 2cal h MET 1018Ca 0.29 -0.52 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2cal h MET 1018Cb -0.11 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2cal h MET 1018CO -0.06 1.16 0.25 -0.07 1.06 0.00 0.00 176.91 179.25 2cal h LEU 1019N 0.70 0.39 0.00 1.22 3.38 -0.91 -0.61 115.31 119.48 2cal h LEU 1019Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2cal h LEU 1019Cb 1.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2cal h LEU 1019CO 0.11 0.28 0.00 -1.84 0.09 0.00 0.00 178.44 177.08 2cal n GLU 1020N -4.48 0.76 -0.11 1.13 0.28 -1.07 -3.18 120.64 113.97 2cal n GLU 1020Ca 0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.15 2cal n GLU 1020Cb 0.10 -1.49 0.25 0.00 1.43 0.00 0.00 31.44 31.72 2cal n GLU 1020CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2cal n LYS 1021N -0.99 2.24 -1.92 3.44 4.01 -0.23 -4.88 118.16 119.82 2cal n LYS 1021Ca 0.18 -1.85 -0.42 0.00 -0.51 0.00 0.00 58.31 55.71 2cal n LYS 1021Cb 0.08 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.10 2cal n LYS 1021CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2cal s ASP 1022N -1.67 6.59 -0.06 4.39 -1.08 -1.19 -4.80 116.67 118.85 2cal s ASP 1022Ca 0.35 2.53 0.13 0.00 -0.52 0.00 0.00 52.55 55.04 2cal s ASP 1022Cb 0.21 -2.57 0.49 0.00 -1.46 0.00 0.00 42.92 39.59 2cal s ASP 1022CO 0.30 -0.88 1.37 0.35 0.52 0.00 0.00 175.17 176.83 2cal n THR 1023N 4.54 1.12 -1.76 1.71 -2.24 -0.40 -4.95 114.28 112.30 2cal n THR 1023Ca 0.15 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.86 2cal n THR 1023Cb 0.40 0.09 0.07 0.00 -2.10 0.00 0.00 70.33 68.79 2cal n THR 1023CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2cal s GLY 1024N -0.83 1.62 -0.12 3.38 0.00 -1.26 -4.69 107.32 105.42 2cal s GLY 1024Ca 0.35 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.78 2cal s GLY 1024CO 0.19 0.08 -0.22 1.25 0.00 0.00 0.00 173.10 174.40 2cal s LYS 1025N -5.30 2.97 -0.05 2.90 2.20 0.07 -4.87 119.74 117.65 2cal s LYS 1025Ca 0.60 -0.84 -0.16 0.00 -0.36 0.00 0.00 55.97 55.20 2cal s LYS 1025Cb -0.12 -2.34 -0.05 0.00 -1.51 0.00 0.00 37.83 33.80 2cal s LYS 1025CO 0.52 0.05 0.44 0.08 -0.36 0.00 0.00 175.35 176.08 2cal s VAL 1026N 0.65 5.09 -0.11 4.02 1.01 -1.26 -0.34 120.40 129.45 2cal s VAL 1026Ca -0.11 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 2cal s VAL 1026Cb -0.16 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2cal s VAL 1026CO 0.02 0.46 0.10 -0.55 0.00 0.00 0.00 175.10 175.13 2cal s SER 1027N -0.30 1.58 1.96 3.32 0.15 -0.50 -5.02 113.70 114.88 2cal s SER 1027Ca 0.24 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2cal s SER 1027Cb -0.16 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2cal s SER 1027CO 0.12 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2cal n GLY 1028N 5.30 3.58 1.75 9.45 0.00 -1.26 -1.96 105.19 122.05 2cal n GLY 1028Ca -0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2cal n GLY 1028CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cal n ASP 1029N 5.54 3.29 -4.31 1.61 8.00 -1.26 -4.90 116.55 124.52 2cal n ASP 1029Ca 0.00 -3.64 -0.31 0.00 0.71 0.00 0.00 54.79 51.54 2cal n ASP 1029Cb 0.00 -0.74 -0.16 0.00 -0.02 0.00 0.00 41.12 40.20 2cal n ASP 1029CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2cal s THR 1030N -3.25 2.14 -0.21 -3.53 2.01 -0.83 -1.13 115.64 110.84 2cal s THR 1030Ca 0.51 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.46 2cal s THR 1030Cb 0.44 -1.76 0.03 0.00 0.01 0.00 0.00 72.50 71.22 2cal s THR 1030CO 0.06 0.58 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.74 2cal s VAL 1031N -0.45 2.36 -0.16 3.82 1.01 -0.00 -1.41 120.40 125.58 2cal s VAL 1031Ca 0.05 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 2cal s VAL 1031Cb -0.11 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2cal s VAL 1031CO 0.01 0.36 -0.01 -0.89 0.00 0.00 0.00 175.10 174.57 2cal s THR 1032N 1.28 4.16 0.20 3.92 2.01 0.53 -0.84 115.64 126.90 2cal s THR 1032Ca 0.02 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 61.82 2cal s THR 1032Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2cal s THR 1032CO -0.09 0.49 0.05 -0.31 -0.69 0.00 0.00 174.62 174.07 2cal s TYR 1033N 0.26 2.90 0.05 4.92 1.51 -0.18 -0.75 117.35 126.07 2cal s TYR 1033Ca -0.01 -0.13 -0.20 0.00 -1.01 0.00 0.00 57.07 55.72 2cal s TYR 1033Cb -0.13 -1.37 0.04 0.00 -0.11 0.00 0.00 41.96 40.39 2cal s TYR 1033CO 0.02 0.54 0.47 -1.54 -1.11 0.00 0.00 175.55 173.93 2cal s SER 1034N -3.20 -0.37 0.00 2.29 1.04 -1.26 -4.33 113.70 107.87 2cal s SER 1034Ca 0.29 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2cal s SER 1034Cb -0.09 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2cal s SER 1034CO 0.20 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2cal n GLY 1035N 0.39 0.75 0.21 7.32 0.00 -1.26 -4.70 105.19 107.91 2cal n GLY 1035Ca -0.18 -2.19 -0.16 0.00 0.00 0.00 0.00 46.02 43.49 2cal n GLY 1035CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cal h LYS 1036N 0.00 0.74 -5.12 1.61 1.57 -1.96 -3.42 116.57 109.99 2cal h LYS 1036Ca 0.00 -0.55 -0.61 0.00 -1.87 0.00 0.00 60.65 57.61 2cal h LYS 1036Cb 0.00 0.10 -0.33 0.00 0.08 0.00 0.00 32.23 32.08 2cal h LYS 1036CO 0.00 1.17 -0.85 0.99 -0.57 0.00 0.00 179.45 180.18 2cal s THR 1037N -3.87 1.69 0.14 -0.16 2.01 -1.26 -1.08 115.64 113.11 2cal s THR 1037Ca -0.11 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.15 2cal s THR 1037Cb 0.08 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2cal s THR 1037CO 0.88 0.48 -0.11 0.68 -0.69 0.00 0.00 174.62 175.85 2cal s VAL 1038N 0.39 3.20 -0.28 3.82 -7.23 0.01 -4.96 120.40 115.35 2cal s VAL 1038Ca -0.15 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 2cal s VAL 1038Cb -0.16 -2.53 0.08 0.00 0.56 0.00 0.00 36.38 34.33 2cal s VAL 1038CO 0.06 0.02 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.85 2cal s HIS 1039N -1.39 3.00 -0.23 2.82 3.76 -1.26 -0.96 115.29 121.02 2cal s HIS 1039Ca 0.22 -2.29 -0.14 0.00 -0.15 0.00 0.00 55.06 52.70 2cal s HIS 1039Cb -0.10 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 2cal s HIS 1039CO 0.14 -0.87 0.33 0.08 -0.85 0.00 0.00 174.74 173.57 2cal s VAL 1040N 1.18 5.23 -0.23 -0.90 1.01 -0.29 -1.27 120.40 125.13 2cal s VAL 1040Ca -0.01 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.52 2cal s VAL 1040Cb -0.19 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.58 2cal s VAL 1040CO -0.08 0.25 -0.13 -0.69 0.00 0.00 0.00 175.10 174.44 2cal s VAL 1041N 1.49 2.09 0.04 2.92 1.01 -1.26 -0.88 120.40 125.82 2cal s VAL 1041Ca 0.15 -1.40 0.06 0.00 0.00 0.00 0.00 61.98 60.79 2cal s VAL 1041Cb -0.15 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2cal s VAL 1041CO 0.08 0.14 -0.14 0.00 0.00 0.00 0.00 175.10 175.17 2cal s ALA 1042N 1.18 2.74 0.04 5.51 0.00 -0.11 -4.08 121.76 127.04 2cal s ALA 1042Ca -0.05 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.79 2cal s ALA 1042Cb -0.18 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 2cal s ALA 1042CO -0.07 0.59 -0.12 0.00 0.00 0.00 0.00 175.76 176.15 2cal s ALA 1043N -0.98 1.00 -0.45 0.00 0.00 -0.02 -1.25 121.76 120.05 2cal s ALA 1043Ca 0.16 -0.78 -0.24 0.00 0.00 0.00 0.00 51.96 51.11 2cal s ALA 1043Cb -0.11 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.91 2cal s ALA 1043CO 0.07 0.16 0.82 0.00 0.00 0.00 0.00 175.76 176.81 2cal s ALA 1044N -0.91 3.28 -0.59 0.00 0.00 -0.44 -0.55 121.76 122.55 2cal s ALA 1044Ca -0.01 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 2cal s ALA 1044Cb -0.08 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.55 2cal s ALA 1044CO 0.01 -1.96 0.64 0.28 0.00 0.00 0.00 175.76 174.74 2cal n VAL 1045N 6.21 -7.91 -1.80 0.00 0.31 -0.46 -2.90 118.33 111.79 2cal n VAL 1045Ca 0.03 0.25 -0.37 0.00 -0.01 0.00 0.00 64.34 64.25 2cal n VAL 1045Cb 0.48 -5.61 0.06 0.00 -0.91 0.00 0.00 33.84 27.87 2cal n VAL 1045CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2cal s LEU 1046N -3.36 3.58 -0.07 7.52 1.43 -1.26 -4.17 118.68 122.35 2cal s LEU 1046Ca 0.17 2.56 -0.39 0.00 -1.03 0.00 0.00 54.13 55.44 2cal s LEU 1046Cb -0.03 -4.61 -0.17 0.00 0.03 0.00 0.00 46.19 41.41 2cal s LEU 1046CO 0.81 -1.92 1.47 -2.65 0.23 0.00 0.00 176.35 174.29 2cal n PRO 1047N -1.87 1.00 -0.06 1.29 -0.02 -1.26 -1.28 135.00 132.80 2cal n PRO 1047Ca 0.15 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2cal n PRO 1047Cb 0.49 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2cal n PRO 1047CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cal n GLY 1048N 3.08 2.01 3.87 -1.23 0.00 -1.26 -5.05 105.19 106.61 2cal n GLY 1048Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2cal n GLY 1048CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cal s PHE 1049N -2.77 3.53 0.25 1.61 0.08 -0.40 -4.99 117.98 115.29 2cal s PHE 1049Ca 0.00 1.24 -0.31 0.00 0.12 0.00 0.00 56.93 57.98 2cal s PHE 1049Cb 0.00 -2.64 -0.12 0.00 -0.57 0.00 0.00 43.02 39.69 2cal s PHE 1049CO 0.00 -0.40 1.54 -2.30 -0.10 0.00 0.00 175.22 173.96 2cal n PRO 1050N -1.97 2.43 -3.32 0.24 -0.02 -1.26 -4.86 135.00 126.24 2cal n PRO 1050Ca 0.05 0.87 -0.38 0.00 -2.02 0.00 0.00 63.50 62.01 2cal n PRO 1050Cb 0.54 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 2cal n PRO 1050CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2cal s PHE 1051N 0.18 3.68 -0.02 6.00 2.19 -1.26 -2.91 117.98 125.85 2cal s PHE 1051Ca 0.68 1.10 -0.16 0.00 0.33 0.00 0.00 56.93 58.88 2cal s PHE 1051Cb -0.57 -2.50 -0.06 0.00 -1.31 0.00 0.00 43.02 38.59 2cal s PHE 1051CO 0.46 0.43 0.43 -1.25 1.83 0.00 0.00 175.22 177.13 2cal s PRO 1052N -0.41 4.03 0.17 10.12 0.04 -1.26 -5.08 135.00 142.61 2cal s PRO 1052Ca 0.28 0.44 -0.23 0.00 0.04 0.00 0.00 61.00 61.54 2cal s PRO 1052Cb -0.17 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.16 2cal s PRO 1052CO 0.15 0.58 0.60 -1.54 0.04 0.00 0.00 177.00 176.83 2cal s SER 1053N -0.74 -0.53 -0.06 6.66 1.04 -1.15 -3.61 113.70 115.31 2cal s SER 1053Ca 0.24 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 2cal s SER 1053Cb -0.17 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2cal s SER 1053CO 0.13 -1.00 0.13 -0.36 0.98 0.00 0.00 173.24 173.12 2cal s PHE 1054N -3.77 3.49 -0.08 5.02 0.08 -1.26 -1.35 117.98 120.12 2cal s PHE 1054Ca 0.02 0.39 0.02 0.00 0.12 0.00 0.00 56.93 57.48 2cal s PHE 1054Cb -0.01 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2cal s PHE 1054CO -0.11 0.66 -0.12 -1.21 -0.10 0.00 0.00 175.22 174.34 2cal s GLU 1055N -1.42 2.84 -0.04 0.44 8.01 0.28 -0.37 118.70 128.43 2cal s GLU 1055Ca 0.20 -0.65 -0.01 0.00 0.01 0.00 0.00 54.97 54.52 2cal s GLU 1055Cb -0.12 -2.52 0.03 0.00 -4.31 0.00 0.00 34.13 27.21 2cal s GLU 1055CO 0.10 0.52 0.02 0.08 0.01 0.00 0.00 175.26 175.99 2cal s VAL 1056N -0.43 0.12 -1.48 2.63 1.01 -0.51 -0.84 120.40 120.89 2cal s VAL 1056Ca 0.06 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 2cal s VAL 1056Cb -0.12 -0.29 0.06 0.00 0.00 0.00 0.00 36.38 36.03 2cal s VAL 1056CO 0.02 0.18 0.90 1.57 0.00 0.00 0.00 175.10 177.78 2cal n HIS 1057N 4.81 -2.29 -1.18 5.22 -0.00 -1.26 -1.44 115.22 119.09 2cal n HIS 1057Ca -0.13 0.82 -0.06 0.00 -0.00 0.00 0.00 57.72 58.34 2cal n HIS 1057Cb 0.50 -4.06 -0.03 0.00 -0.00 0.00 0.00 29.99 26.40 2cal n HIS 1057CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2cal n ASP 1058N -2.75 -4.56 -4.57 0.26 2.03 -1.26 -5.00 116.55 100.70 2cal n ASP 1058Ca 0.01 0.16 -0.30 0.00 0.52 0.00 0.00 54.79 55.18 2cal n ASP 1058Cb 0.54 -2.62 -0.10 0.00 -0.72 0.00 0.00 41.12 38.22 2cal n ASP 1058CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cal s LYS 1059N -2.14 2.23 -0.22 -0.67 -0.14 -0.52 -5.10 119.74 113.19 2cal s LYS 1059Ca 0.00 -0.94 -0.25 0.00 -1.36 0.00 0.00 55.97 53.42 2cal s LYS 1059Cb 0.00 -2.34 -0.01 0.00 -1.68 0.00 0.00 37.83 33.80 2cal s LYS 1059CO 0.00 0.54 0.84 0.21 -0.76 0.00 0.00 175.35 176.18 2cal s LYS 1060N -1.92 4.22 -1.62 1.68 2.20 -1.26 -1.42 119.74 121.62 2cal s LYS 1060Ca 0.20 0.99 -0.07 0.00 -0.36 0.00 0.00 55.97 56.73 2cal s LYS 1060Cb -0.11 -3.62 0.07 0.00 -1.51 0.00 0.00 37.83 32.65 2cal s LYS 1060CO 0.11 -0.47 0.23 0.09 -0.36 0.00 0.00 175.35 174.95 2cal n ASN 1061N 5.81 -0.07 -4.78 1.43 3.02 0.50 -4.89 115.26 116.27 2cal n ASN 1061Ca 0.06 -1.23 -0.32 0.00 -0.03 0.00 0.00 54.58 53.06 2cal n ASN 1061Cb 0.48 -1.81 0.07 0.00 -0.61 0.00 0.00 39.78 37.90 2cal n ASN 1061CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2cal s PRO 1062N -7.24 2.57 -0.08 3.52 0.04 -1.26 -4.64 135.00 127.90 2cal s PRO 1062Ca 0.24 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 2cal s PRO 1062Cb -0.14 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2cal s PRO 1062CO 0.99 -1.40 0.97 0.99 0.04 0.00 0.00 177.00 178.58 2cal s THR 1063N -2.77 4.83 -0.20 1.26 2.01 -0.29 -4.19 115.64 116.30 2cal s THR 1063Ca 0.62 1.98 -0.16 0.00 0.31 0.00 0.00 61.69 64.43 2cal s THR 1063Cb -0.17 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 2cal s THR 1063CO 0.51 0.06 0.43 -0.76 -0.69 0.00 0.00 174.62 174.17 2cal s LEU 1064N 1.67 4.15 -0.35 4.42 1.43 -0.06 -0.82 118.68 129.13 2cal s LEU 1064Ca 0.48 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 54.03 2cal s LEU 1064Cb -0.19 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2cal s LEU 1064CO 0.20 -0.10 0.18 -1.61 0.23 0.00 0.00 176.35 175.25 2cal s GLU 1065N 1.38 3.03 -0.08 1.70 0.41 -0.02 -0.67 118.70 124.45 2cal s GLU 1065Ca 0.20 -0.93 0.04 0.00 -0.41 0.00 0.00 54.97 53.87 2cal s GLU 1065Cb -0.15 -3.64 -0.01 0.00 -1.78 0.00 0.00 34.13 28.55 2cal s GLU 1065CO 0.08 -0.58 -0.21 0.42 -0.49 0.00 0.00 175.26 174.48 2cal s ILE 1066N 1.57 2.35 0.23 -1.63 1.01 -0.26 -1.00 121.20 123.46 2cal s ILE 1066Ca 0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 2cal s ILE 1066Cb -0.18 -1.90 -0.09 0.00 0.01 0.00 0.00 42.46 40.30 2cal s ILE 1066CO 0.06 0.56 1.17 -2.16 0.00 0.00 0.00 174.94 174.58 2cal s PRO 1067N -0.02 4.53 0.30 2.79 0.05 -1.26 -2.18 135.00 139.22 2cal s PRO 1067Ca -0.07 1.88 -0.29 0.00 0.05 0.00 0.00 61.00 62.57 2cal s PRO 1067Cb -0.15 -3.21 -0.13 0.00 0.05 0.00 0.00 34.50 31.06 2cal s PRO 1067CO 0.05 0.00 1.33 0.00 0.05 0.00 0.00 177.00 178.43 2cal n ALA 1068N 1.96 1.24 -0.09 8.56 0.00 0.14 -2.15 120.51 130.18 2cal n ALA 1068Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2cal n ALA 1068Cb 0.44 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2cal n ALA 1068CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cal n GLY 1069N 1.31 1.82 3.78 0.00 0.00 -1.26 -4.98 105.19 105.87 2cal n GLY 1069Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2cal n GLY 1069CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cal s ALA 1070N -2.75 3.03 0.03 4.61 0.00 -0.91 -5.02 121.76 120.75 2cal s ALA 1070Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 2cal s ALA 1070Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2cal s ALA 1070CO 0.00 -0.27 1.07 0.99 0.00 0.00 0.00 175.76 177.54 2cal s THR 1071N -1.72 4.51 -0.28 0.00 2.01 -0.24 -4.60 115.64 115.32 2cal s THR 1071Ca 0.60 1.82 -0.04 0.00 0.31 0.00 0.00 61.69 64.38 2cal s THR 1071Cb -0.21 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.16 2cal s THR 1071CO 0.26 0.15 0.02 -0.69 -0.69 0.00 0.00 174.62 173.68 2cal s VAL 1072N 0.97 3.46 -0.36 3.82 1.01 -0.11 -0.81 120.40 128.38 2cal s VAL 1072Ca 0.54 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 2cal s VAL 1072Cb -0.25 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2cal s VAL 1072CO 0.29 0.08 0.23 -1.81 0.00 0.00 0.00 175.10 173.89 2cal s ASP 1073N 1.40 5.90 -0.19 3.32 1.01 -0.14 -1.10 116.67 126.87 2cal s ASP 1073Ca 0.00 -0.72 -0.09 0.00 0.71 0.00 0.00 52.55 52.45 2cal s ASP 1073Cb -0.17 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.62 2cal s ASP 1073CO -0.00 -0.33 0.11 -0.69 0.21 0.00 0.00 175.17 174.46 2cal s VAL 1074N 1.65 5.19 -0.18 -1.27 1.01 0.01 -1.14 120.40 125.67 2cal s VAL 1074Ca 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2cal s VAL 1074Cb -0.18 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2cal s VAL 1074CO 0.09 0.45 -0.08 -0.89 0.00 0.00 0.00 175.10 174.67 2cal s THR 1075N 0.31 3.32 -0.12 3.92 2.01 -0.05 -1.04 115.64 123.98 2cal s THR 1075Ca 0.07 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.56 2cal s THR 1075Cb -0.11 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 69.94 2cal s THR 1075CO -0.01 0.47 -0.21 0.12 -0.69 0.00 0.00 174.62 174.30 2cal s PHE 1076N 0.88 2.49 -0.10 4.92 5.36 -0.24 -0.93 117.98 130.36 2cal s PHE 1076Ca -0.02 -1.16 0.04 0.00 -0.96 0.00 0.00 56.93 54.83 2cal s PHE 1076Cb -0.15 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 2cal s PHE 1076CO 0.01 -0.52 -0.23 0.42 -1.46 0.00 0.00 175.22 173.43 2cal s ILE 1077N 0.68 2.01 -0.46 3.12 1.01 -0.38 -1.36 121.20 125.81 2cal s ILE 1077Ca -0.11 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.40 2cal s ILE 1077Cb -0.16 -1.74 0.07 0.00 0.01 0.00 0.00 42.46 40.64 2cal s ILE 1077CO 0.02 0.55 0.38 0.21 0.00 0.00 0.00 174.94 176.09 2cal s ASN 1078N 0.38 6.11 0.00 3.58 3.04 -0.50 -1.32 114.94 126.23 2cal s ASN 1078Ca -0.18 -1.28 0.23 0.00 0.04 0.00 0.00 52.86 51.67 2cal s ASN 1078Cb -0.18 -2.17 0.45 0.00 -1.54 0.00 0.00 41.25 37.82 2cal s ASN 1078CO 0.08 -0.62 1.41 0.35 -3.04 0.00 0.00 177.10 175.29 2cal n THR 1079N 5.18 0.40 -3.25 -5.21 -2.24 -1.14 -4.14 114.28 103.88 2cal n THR 1079Ca -0.12 -0.66 -0.44 0.00 -2.27 0.00 0.00 64.05 60.56 2cal n THR 1079Cb 0.44 0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 2cal n THR 1079CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2cal s ASN 1080N -1.56 6.20 0.31 3.42 2.47 -1.17 -4.83 114.94 119.78 2cal s ASN 1080Ca 0.37 -0.93 -0.30 0.00 0.42 0.00 0.00 52.86 52.42 2cal s ASN 1080Cb 0.22 -2.25 -0.11 0.00 -1.45 0.00 0.00 41.25 37.65 2cal s ASN 1080CO 0.31 -0.76 1.59 0.29 -3.72 0.00 0.00 177.10 174.81 2cal n LYS 1081N 5.82 2.72 -0.40 0.43 5.02 -1.26 -2.29 118.16 128.20 2cal n LYS 1081Ca -0.08 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 2cal n LYS 1081Cb 0.46 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 2cal n LYS 1081CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cal n GLY 1082N 1.89 1.27 3.38 0.72 0.00 -1.26 -5.01 105.19 106.17 2cal n GLY 1082Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2cal n GLY 1082CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cal s PHE 1083N -3.06 1.90 -0.43 1.61 0.40 -0.97 -5.05 117.98 112.37 2cal s PHE 1083Ca 0.00 -0.48 0.07 0.00 -0.60 0.00 0.00 56.93 55.92 2cal s PHE 1083Cb 0.00 -0.88 0.42 0.00 0.51 0.00 0.00 43.02 43.06 2cal s PHE 1083CO 0.00 0.45 1.07 0.41 0.70 0.00 0.00 175.22 177.85 2cal n GLY 1084N -0.24 5.33 3.59 4.36 0.00 -1.26 -4.17 105.19 112.80 2cal n GLY 1084Ca -0.09 -2.55 -0.38 0.00 0.00 0.00 0.00 46.02 43.00 2cal n GLY 1084CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2cal n HIS 1085N -0.39 0.57 -4.17 1.61 8.25 -1.26 -2.33 115.22 117.49 2cal n HIS 1085Ca 0.34 0.44 -0.24 0.00 -0.26 0.00 0.00 57.72 58.00 2cal n HIS 1085Cb 0.66 -2.11 -0.07 0.00 1.12 0.00 0.00 29.99 29.59 2cal n HIS 1085CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2cal s SER 1086N -1.21 4.41 -0.26 0.41 1.04 -1.26 -2.01 113.70 114.82 2cal s SER 1086Ca 0.74 -1.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.14 2cal s SER 1086Cb -0.43 -0.53 0.08 0.00 0.10 0.00 0.00 66.02 65.24 2cal s SER 1086CO 0.49 -0.44 0.07 0.12 0.98 0.00 0.00 173.24 174.45 2cal s PHE 1087N -2.56 1.39 -0.07 5.02 5.36 -1.26 -4.04 117.98 121.81 2cal s PHE 1087Ca 0.39 -1.35 0.01 0.00 -0.96 0.00 0.00 56.93 55.03 2cal s PHE 1087Cb 0.02 -1.39 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 2cal s PHE 1087CO 0.22 -0.77 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.60 2cal s ASP 1088N 1.73 1.76 -0.12 6.13 1.01 -0.55 -1.06 116.67 125.58 2cal s ASP 1088Ca 0.05 -0.27 -0.12 0.00 0.71 0.00 0.00 52.55 52.91 2cal s ASP 1088Cb -0.17 -0.77 -0.05 0.00 1.01 0.00 0.00 42.92 42.94 2cal s ASP 1088CO -0.19 -0.02 0.28 -0.63 0.21 0.00 0.00 175.17 174.82 2cal s ILE 1089N 0.99 5.29 0.06 0.77 1.01 0.24 -0.81 121.20 128.75 2cal s ILE 1089Ca -0.09 0.54 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 2cal s ILE 1089Cb -0.15 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2cal s ILE 1089CO -0.00 0.48 0.06 0.28 0.00 0.00 0.00 174.94 175.76 2cal s THR 1090N -0.22 0.17 -0.89 2.92 -1.32 -0.32 -0.78 115.64 115.21 2cal s THR 1090Ca 0.18 -1.43 0.27 0.00 -1.21 0.00 0.00 61.69 59.50 2cal s THR 1090Cb -0.14 -1.26 0.19 0.00 -1.51 0.00 0.00 72.50 69.78 2cal s THR 1090CO 0.06 -0.79 1.72 0.29 -2.21 0.00 0.00 174.62 173.69 2cal n LYS 1091N 0.29 0.10 -2.64 7.08 5.02 -1.26 -0.66 118.16 126.09 2cal n LYS 1091Ca -0.16 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 2cal n LYS 1091Cb 0.60 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 2cal n LYS 1091CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2cal s LYS 1092N -3.05 4.46 0.58 1.97 2.47 -1.26 -4.83 119.74 120.09 2cal s LYS 1092Ca 0.12 1.48 0.04 0.00 -1.56 0.00 0.00 55.97 56.05 2cal s LYS 1092Cb 0.16 -3.50 0.07 0.00 -1.46 0.00 0.00 37.83 33.11 2cal s LYS 1092CO 0.60 -0.24 0.80 0.20 0.16 0.00 0.00 175.35 176.88 2cal s GLY 1093N 1.12 1.80 0.88 5.54 0.00 -1.26 -4.70 107.32 110.70 2cal s GLY 1093Ca 0.52 -1.74 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 2cal s GLY 1093CO 0.23 -1.34 1.11 2.56 0.00 0.00 0.00 173.10 175.66 2cal s PRO 1094N -4.77 1.43 0.49 2.90 0.04 -1.26 -4.64 135.00 129.20 2cal s PRO 1094Ca 0.61 0.52 -0.19 0.00 0.04 0.00 0.00 61.00 61.97 2cal s PRO 1094Cb -0.08 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2cal s PRO 1094CO 0.39 -2.04 1.00 -1.25 0.04 0.00 0.00 177.00 175.14 2cal s PRO 1095N -5.15 3.91 -0.09 0.56 0.04 -1.26 -5.17 135.00 127.84 2cal s PRO 1095Ca 0.63 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 2cal s PRO 1095Cb -0.15 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2cal s PRO 1095CO 0.55 -0.31 0.14 0.71 0.04 0.00 0.00 177.00 178.12 2cal s TYR 1096N -2.28 3.56 0.87 0.56 1.51 -1.26 -5.07 117.35 115.24 2cal s TYR 1096Ca 0.63 0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 57.05 2cal s TYR 1096Cb -0.12 -1.90 0.11 0.00 -0.11 0.00 0.00 41.96 39.94 2cal s TYR 1096CO 0.23 0.70 1.10 0.00 -1.11 0.00 0.00 175.55 176.47 2cal s ALA 1097N -1.09 1.67 0.27 3.71 0.00 -1.26 -3.98 121.76 121.08 2cal s ALA 1097Ca 0.18 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.30 2cal s ALA 1097Cb -0.12 -3.26 0.59 0.00 0.00 0.00 0.00 23.12 20.33 2cal s ALA 1097CO 0.07 -2.29 1.76 0.28 0.00 0.00 0.00 175.76 175.58 2cal h VAL 1098N -1.51 0.70 -3.69 0.00 2.07 -1.97 -2.90 116.25 108.95 2cal h VAL 1098Ca -0.47 -0.22 -0.76 0.00 0.82 0.00 0.00 66.70 66.07 2cal h VAL 1098Cb 1.26 0.01 -0.29 0.00 -1.52 0.00 0.00 31.29 30.76 2cal h VAL 1098CO 0.51 0.12 -0.07 -0.04 0.02 0.00 0.00 177.57 178.11 2cal s MET 1099N -5.94 3.24 0.37 1.57 -1.94 -1.26 -0.98 119.30 114.36 2cal s MET 1099Ca -0.12 -2.42 -0.28 0.00 -1.71 0.00 0.00 55.69 51.15 2cal s MET 1099Cb 0.23 -4.20 -0.11 0.00 2.01 0.00 0.00 34.83 32.75 2cal s MET 1099CO 0.78 -1.26 1.49 -2.14 -0.01 0.00 0.00 175.02 173.89 2cal s PRO 1100N 0.21 4.12 -0.61 2.03 0.02 -1.09 -4.95 135.00 134.73 2cal s PRO 1100Ca 0.16 2.55 -0.15 0.00 0.02 0.00 0.00 61.00 63.59 2cal s PRO 1100Cb -0.15 -2.98 0.15 0.00 0.02 0.00 0.00 34.50 31.55 2cal s PRO 1100CO -0.06 -0.53 0.55 0.08 -0.33 0.00 0.00 177.00 176.71 2cal s VAL 1101N -1.00 5.20 0.00 3.83 1.01 -1.26 -4.86 120.40 123.31 2cal s VAL 1101Ca 0.54 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.72 2cal s VAL 1101Cb -0.46 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.61 2cal s VAL 1101CO 0.61 -0.90 0.53 2.30 0.00 0.00 0.00 175.10 177.64 2cal n ILE 1102N 4.87 0.28 -2.33 2.22 -5.35 -1.26 -4.97 119.36 112.82 2cal n ILE 1102Ca -0.06 -0.36 -0.35 0.00 -0.27 0.00 0.00 62.75 61.70 2cal n ILE 1102Cb 0.42 1.07 -0.01 0.00 -1.74 0.00 0.00 39.64 39.38 2cal n ILE 1102CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2cal s ASP 1103N -0.28 5.94 0.30 7.28 1.01 -1.26 -3.93 116.67 125.74 2cal s ASP 1103Ca 0.00 2.13 -0.27 0.00 0.71 0.00 0.00 52.55 55.12 2cal s ASP 1103Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 2cal s ASP 1103CO 0.00 -1.06 0.97 -2.16 0.21 0.00 0.00 175.17 173.13 2cal s PRO 1104N -3.18 4.62 -0.27 8.23 0.04 -1.26 -5.00 135.00 138.18 2cal s PRO 1104Ca 0.70 1.45 -0.26 0.00 0.04 0.00 0.00 61.00 62.93 2cal s PRO 1104Cb -0.23 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2cal s PRO 1104CO 0.26 0.29 0.91 0.42 0.04 0.00 0.00 177.00 178.92 2cal s ILE 1105N -1.45 4.73 -0.02 0.56 1.01 -1.25 -4.52 121.20 120.27 2cal s ILE 1105Ca 0.48 1.59 0.13 0.00 0.00 0.00 0.00 60.65 62.84 2cal s ILE 1105Cb -0.23 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 2cal s ILE 1105CO 0.28 -0.22 1.43 -0.37 0.00 0.00 0.00 174.94 176.07 2cal h VAL 1106N 5.54 1.16 -1.62 2.92 -1.51 -1.31 -3.46 116.25 117.97 2cal h VAL 1106Ca -0.22 -2.53 0.06 0.00 -1.23 0.00 0.00 66.70 62.78 2cal h VAL 1106Cb 1.08 2.50 -0.23 0.00 -2.13 0.00 0.00 31.29 32.51 2cal h VAL 1106CO 0.93 0.64 0.48 0.00 -1.23 0.00 0.00 177.57 178.39 2cal s ALA 1107N -2.98 -1.92 0.00 5.19 0.00 -1.24 -5.04 121.76 115.77 2cal s ALA 1107Ca 0.02 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2cal s ALA 1107Cb 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2cal s ALA 1107CO 0.76 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2cal n GLY 1108N 1.12 -0.85 3.67 0.00 0.00 -1.26 -0.59 105.19 107.28 2cal n GLY 1108Ca -0.12 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 2cal n GLY 1108CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cal s THR 1109N -2.59 3.28 0.00 2.61 -4.23 -0.22 -1.19 115.64 113.30 2cal s THR 1109Ca 0.00 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2cal s THR 1109Cb 0.00 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2cal s THR 1109CO 0.00 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 2cal n GLY 1110N -0.96 -1.70 3.75 3.99 0.00 0.11 -4.48 105.19 105.89 2cal n GLY 1110Ca -0.05 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2cal n GLY 1110CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cal s PHE 1111N -0.57 3.40 0.55 1.61 0.08 -1.26 -4.45 117.98 117.34 2cal s PHE 1111Ca 0.00 1.47 -0.14 0.00 0.12 0.00 0.00 56.93 58.39 2cal s PHE 1111Cb 0.00 -3.44 -0.06 0.00 -0.57 0.00 0.00 43.02 38.95 2cal s PHE 1111CO 0.00 -1.19 0.99 -1.54 -0.10 0.00 0.00 175.22 173.38 2cal s SER 1112N -0.19 6.44 0.48 1.36 1.04 -0.85 -4.99 113.70 117.00 2cal s SER 1112Ca 0.51 1.47 -0.24 0.00 0.48 0.00 0.00 55.95 58.17 2cal s SER 1112Cb -0.34 -2.48 -0.08 0.00 0.10 0.00 0.00 66.02 63.23 2cal s SER 1112CO 0.40 -0.70 1.27 -2.65 0.98 0.00 0.00 173.24 172.54 2cal n PRO 1113N -2.08 1.76 -2.46 4.02 -0.02 -1.26 -4.46 135.00 130.51 2cal n PRO 1113Ca 0.06 0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 61.81 2cal n PRO 1113Cb 0.54 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2cal n PRO 1113CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2cal s VAL 1114N -1.26 3.54 0.32 -1.45 1.01 -1.26 -4.49 120.40 116.80 2cal s VAL 1114Ca 0.66 1.13 -0.29 0.00 0.00 0.00 0.00 61.98 63.48 2cal s VAL 1114Cb -0.47 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.23 2cal s VAL 1114CO 0.54 -0.04 1.29 -2.65 0.00 0.00 0.00 175.10 174.24 2cal n PRO 1115N -0.37 2.04 -3.57 2.72 -0.02 -1.26 -4.79 135.00 129.75 2cal n PRO 1115Ca 0.07 0.72 -0.17 0.00 -2.02 0.00 0.00 63.50 62.09 2cal n PRO 1115Cb 0.50 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 2cal n PRO 1115CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2cal s LYS 1116N -1.54 0.98 -1.71 -0.52 2.20 -0.88 -4.74 119.74 113.52 2cal s LYS 1116Ca 0.58 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 2cal s LYS 1116Cb -0.60 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 2cal s LYS 1116CO 0.59 -0.30 0.00 -0.25 -0.36 0.00 0.00 175.35 175.04 2cal n ASP 1117N 1.02 -5.02 0.00 1.43 8.00 -1.26 -1.34 116.55 119.38 2cal n ASP 1117Ca -0.19 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2cal n ASP 1117Cb 0.57 -4.03 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 2cal n ASP 1117CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cal n GLY 1118N -0.93 0.59 3.42 0.44 0.00 -1.26 -5.04 105.19 102.41 2cal n GLY 1118Ca -0.18 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 2cal n GLY 1118CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cal s LYS 1119N -0.22 1.58 -0.03 1.61 1.02 -0.45 -4.55 119.74 118.71 2cal s LYS 1119Ca 0.00 -1.87 0.02 0.00 0.02 0.00 0.00 55.97 54.14 2cal s LYS 1119Cb 0.00 -0.74 0.01 0.00 -0.52 0.00 0.00 37.83 36.58 2cal s LYS 1119CO 0.00 -0.20 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.08 2cal s PHE 1120N -3.39 0.95 0.35 3.18 0.40 -0.16 -2.08 117.98 117.23 2cal s PHE 1120Ca 0.36 -0.25 -0.25 0.00 -0.60 0.00 0.00 56.93 56.19 2cal s PHE 1120Cb 0.08 -0.69 -0.10 0.00 0.51 0.00 0.00 43.02 42.82 2cal s PHE 1120CO 0.15 -0.12 0.96 0.20 0.70 0.00 0.00 175.22 177.11 2cal s GLY 1121N 0.30 2.74 0.16 4.36 0.00 -1.26 -0.61 107.32 113.00 2cal s GLY 1121Ca -0.05 0.54 -0.12 0.00 0.00 0.00 0.00 44.72 45.09 2cal s GLY 1121CO 0.01 0.96 0.34 -2.52 0.00 0.00 0.00 173.10 171.89 2cal s TYR 1122N -1.69 0.18 0.16 1.90 1.13 -0.34 -1.41 117.35 117.27 2cal s TYR 1122Ca 0.53 -0.54 -0.13 0.00 -1.41 0.00 0.00 57.07 55.51 2cal s TYR 1122Cb -0.18 0.09 0.01 0.00 -1.10 0.00 0.00 41.96 40.78 2cal s TYR 1122CO 0.23 -0.74 0.37 -0.08 -2.51 0.00 0.00 175.55 172.82 2cal s THR 1123N -3.91 0.06 -0.02 -3.49 -1.32 -0.47 -0.95 115.64 105.54 2cal s THR 1123Ca 0.12 -1.00 0.05 0.00 -1.21 0.00 0.00 61.69 59.66 2cal s THR 1123Cb 0.02 -1.55 -0.01 0.00 -1.51 0.00 0.00 72.50 69.45 2cal s THR 1123CO -0.03 -0.29 -0.19 -1.81 -2.21 0.00 0.00 174.62 170.09 2cal s ASP 1124N -2.89 2.23 0.06 8.08 1.01 -1.26 -1.08 116.67 122.82 2cal s ASP 1124Ca 0.10 -0.35 -0.03 0.00 0.71 0.00 0.00 52.55 52.98 2cal s ASP 1124Cb 0.02 -0.35 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 2cal s ASP 1124CO -0.05 0.21 0.04 0.72 0.21 0.00 0.00 175.17 176.31 2cal s PHE 1125N -0.32 0.41 0.20 4.23 -0.12 -0.21 -5.01 117.98 117.17 2cal s PHE 1125Ca 0.04 -0.92 0.08 0.00 -0.05 0.00 0.00 56.93 56.08 2cal s PHE 1125Cb -0.08 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 2cal s PHE 1125CO 0.00 -0.44 0.03 0.95 -0.05 0.00 0.00 175.22 175.72 2cal s THR 1126N -3.90 3.80 -0.15 -4.49 -4.23 -1.26 -0.81 115.64 104.59 2cal s THR 1126Ca 0.07 -1.51 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 2cal s THR 1126Cb 0.07 -2.96 0.05 0.00 1.34 0.00 0.00 72.50 71.00 2cal s THR 1126CO -0.10 -0.20 0.36 0.86 -0.54 0.00 0.00 174.62 175.00 2cal s TRP 1127N -1.92 -0.49 -0.58 3.99 -0.00 -0.26 -4.97 118.94 114.71 2cal s TRP 1127Ca 0.29 1.10 0.06 0.00 -0.00 0.00 0.00 56.10 57.55 2cal s TRP 1127Cb -0.08 0.19 0.23 0.00 -0.00 0.00 0.00 33.47 33.80 2cal s TRP 1127CO 0.20 -0.29 0.63 0.72 -0.00 0.00 0.00 176.95 178.21 2cal n HIS 1128N 4.00 2.37 -2.62 5.86 8.25 -1.26 -0.93 115.22 130.88 2cal n HIS 1128Ca -0.22 -3.99 -0.34 0.00 -0.26 0.00 0.00 57.72 52.91 2cal n HIS 1128Cb 0.55 -0.47 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 2cal n HIS 1128CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2cal s PRO 1129N -1.87 3.96 0.70 -0.41 0.04 -1.26 -5.06 135.00 131.11 2cal s PRO 1129Ca 0.36 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 2cal s PRO 1129Cb 0.12 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2cal s PRO 1129CO -0.07 -0.29 1.08 0.95 0.04 0.00 0.00 177.00 178.72 2cal s THR 1130N -1.99 3.55 0.60 1.26 -4.23 -1.26 -4.52 115.64 109.04 2cal s THR 1130Ca 0.65 0.58 -0.19 0.00 -1.18 0.00 0.00 61.69 61.55 2cal s THR 1130Cb -0.15 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 2cal s THR 1130CO 0.19 -0.58 1.10 0.00 -0.54 0.00 0.00 174.62 174.79 2cal n ALA 1131N -2.95 0.61 0.00 3.99 0.00 -1.26 -4.88 120.51 116.01 2cal n ALA 1131Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2cal n ALA 1131Cb 0.53 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2cal n ALA 1131CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cal n GLY 1132N 1.12 0.24 3.73 0.00 0.00 -0.19 -4.99 105.19 105.09 2cal n GLY 1132Ca 0.14 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 2cal n GLY 1132CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cal s THR 1133N -1.60 5.02 0.29 2.61 2.01 -1.26 -0.98 115.64 121.73 2cal s THR 1133Ca 0.00 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.06 2cal s THR 1133Cb 0.00 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 2cal s THR 1133CO 0.00 0.52 0.10 -0.31 -0.69 0.00 0.00 174.62 174.24 2cal s TYR 1134N -0.21 1.66 -0.00 4.92 1.51 0.36 -4.73 117.35 120.86 2cal s TYR 1134Ca 0.09 -1.17 0.02 0.00 -1.01 0.00 0.00 57.07 55.00 2cal s TYR 1134Cb -0.12 -1.00 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 2cal s TYR 1134CO 0.01 -0.29 -0.08 0.71 -1.11 0.00 0.00 175.55 174.80 2cal s TYR 1135N -3.59 0.67 -0.19 2.71 2.02 0.16 -0.38 117.35 118.75 2cal s TYR 1135Ca 0.36 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.83 2cal s TYR 1135Cb 0.07 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 2cal s TYR 1135CO 0.15 -0.01 0.06 1.52 -1.57 0.00 0.00 175.55 175.70 2cal s TYR 1136N -0.28 3.22 0.01 2.71 1.13 0.03 -1.17 117.35 123.01 2cal s TYR 1136Ca 0.02 0.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.70 2cal s TYR 1136Cb -0.03 -2.10 -0.01 0.00 -1.10 0.00 0.00 41.96 38.72 2cal s TYR 1136CO -0.00 0.09 -0.04 0.08 -2.51 0.00 0.00 175.55 173.17 2cal s VAL 1137N 0.54 0.27 -0.02 -3.49 1.01 0.01 -1.27 120.40 117.45 2cal s VAL 1137Ca 0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 2cal s VAL 1137Cb -0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 2cal s VAL 1137CO 0.01 -0.14 0.52 0.00 0.00 0.00 0.00 175.10 175.49 2cal n GLN 1139N 2.53 1.96 -1.79 0.00 6.02 -1.26 -3.96 117.38 120.88 2cal n GLN 1139Ca -0.09 -1.50 -0.42 0.00 -0.01 0.00 0.00 57.00 54.98 2cal n GLN 1139Cb 0.51 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 2cal n GLN 1139CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2cal s ILE 1140N -2.07 2.20 0.11 5.09 -1.09 -1.26 -4.81 121.20 119.38 2cal s ILE 1140Ca 0.30 0.15 -0.36 0.00 -2.23 0.00 0.00 60.65 58.51 2cal s ILE 1140Cb 0.20 -3.10 -0.16 0.00 -1.58 0.00 0.00 42.46 37.83 2cal s ILE 1140CO 0.35 0.01 1.41 -2.65 -1.23 0.00 0.00 174.94 172.83 2cal n PRO 1141N 3.87 1.47 0.00 2.79 -0.02 -1.26 -1.96 135.00 139.88 2cal n PRO 1141Ca 0.15 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2cal n PRO 1141Cb 0.36 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2cal n PRO 1141CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cal n GLY 1142N 2.78 2.65 0.11 -1.23 0.00 -0.15 -4.92 105.19 104.43 2cal n GLY 1142Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 2cal n GLY 1142CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2cal h MET 1143N 2.31 0.25 -0.46 1.61 2.86 -1.66 -2.61 114.93 117.22 2cal h MET 1143Ca 0.00 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 2cal h MET 1143Cb 0.00 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2cal h MET 1143CO 0.00 0.77 0.07 0.00 1.06 0.00 0.00 176.91 178.81 2cal h ALA 1144N 0.47 1.26 0.00 6.32 0.00 -1.75 -0.52 119.26 125.05 2cal h ALA 1144Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2cal h ALA 1144Cb 0.78 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2cal h ALA 1144CO 0.04 0.51 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 2cal h ALA 1145N 1.39 1.33 -0.25 0.00 0.00 -1.68 -2.24 119.26 117.82 2cal h ALA 1145Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2cal h ALA 1145Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2cal h ALA 1145CO 0.00 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.57 2cal n THR 1146N -3.63 2.01 0.00 0.00 -2.24 -0.74 -4.92 114.28 104.75 2cal n THR 1146Ca -0.02 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 2cal n THR 1146Cb 0.16 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2cal n THR 1146CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cal n GLY 1147N -0.40 1.11 3.27 3.38 0.00 -0.80 -4.61 105.19 107.14 2cal n GLY 1147Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2cal n GLY 1147CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2cal n MET 1148N -0.53 3.39 -3.48 1.61 0.00 -0.28 -4.77 117.12 113.06 2cal n MET 1148Ca 0.00 -3.61 -0.10 0.00 0.00 0.00 0.00 57.70 54.00 2cal n MET 1148Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 33.22 30.12 2cal n MET 1148CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2cal s PHE 1149N 1.68 -0.41 0.36 1.12 -0.71 -1.26 -2.62 117.98 116.14 2cal s PHE 1149Ca 0.44 0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 56.54 2cal s PHE 1149Cb 0.03 0.55 0.01 0.00 -1.21 0.00 0.00 43.02 42.39 2cal s PHE 1149CO 0.01 -0.64 0.53 0.20 -1.34 0.00 0.00 175.22 173.98 2cal s GLY 1150N -2.56 1.37 0.00 1.99 0.00 -0.40 -4.81 107.32 102.91 2cal s GLY 1150Ca 0.04 -1.43 0.03 0.00 0.00 0.00 0.00 44.72 43.36 2cal s GLY 1150CO -0.10 -0.91 -0.06 1.25 0.00 0.00 0.00 173.10 173.28 2cal s LYS 1151N -2.87 2.58 -0.07 2.90 2.20 -1.26 -0.79 119.74 122.44 2cal s LYS 1151Ca 0.28 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 55.22 2cal s LYS 1151Cb -0.01 -2.53 0.01 0.00 -1.51 0.00 0.00 37.83 33.79 2cal s LYS 1151CO 0.20 0.61 -0.16 0.42 -0.36 0.00 0.00 175.35 176.05 2cal s ILE 1152N -1.01 1.43 -0.21 5.43 1.01 0.49 -0.88 121.20 127.46 2cal s ILE 1152Ca 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2cal s ILE 1152Cb -0.11 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.12 2cal s ILE 1152CO 0.08 0.42 -0.14 -0.69 0.00 0.00 0.00 174.94 174.61 2cal s VAL 1153N 0.42 2.40 -0.28 2.92 1.01 0.16 -0.48 120.40 126.55 2cal s VAL 1153Ca -0.13 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 2cal s VAL 1153Cb -0.15 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2cal s VAL 1153CO 0.05 0.38 0.09 -0.69 0.00 0.00 0.00 175.10 174.92 2cal s VAL 1154N 1.29 4.22 0.00 2.92 1.01 -0.15 -1.10 120.40 128.59 2cal s VAL 1154Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2cal s VAL 1154Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2cal s VAL 1154CO -0.09 0.17 0.00 2.29 0.00 0.00 0.00 175.10 177.47