#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qra n PHE 1023N 0.00 0.00 -0.56 -1.84 3.01 -1.26 -4.10 117.46 112.72 2qra n PHE 1023Ca 0.00 0.00 0.46 0.00 1.01 0.00 0.00 57.45 58.92 2qra n PHE 1023Cb 0.00 0.00 0.79 0.00 -0.01 0.00 0.00 39.48 40.26 2qra n PHE 1023CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2qra h VAL 1024N 0.00 0.15 -3.35 -4.37 2.07 -2.01 -3.38 116.25 105.35 2qra h VAL 1024Ca 0.00 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.96 2qra h VAL 1024Cb 0.00 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 2qra h VAL 1024CO 0.00 0.00 0.24 -0.70 0.02 0.00 0.00 177.57 177.13 2qra s GLU 1025N -4.88 4.41 0.00 1.57 2.56 -1.26 -4.98 118.70 116.12 2qra s GLU 1025Ca -0.05 1.02 0.00 0.00 0.00 0.00 0.00 54.97 55.94 2qra s GLU 1025Cb 0.25 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.89 2qra s GLU 1025CO 0.85 -0.09 0.92 -1.91 -0.56 0.00 0.00 175.26 174.47 2qra n GLU 1026N 4.30 0.00 -0.56 4.30 2.13 -1.26 -1.63 120.64 127.93 2qra n GLU 1026Ca 0.02 0.71 0.45 0.00 0.66 0.00 0.00 57.16 58.99 2qra n GLU 1026Cb 0.50 -1.42 0.73 0.00 0.27 0.00 0.00 31.44 31.53 2qra n GLU 1026CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 2qra h PHE 1027N 0.00 0.31 0.00 4.31 3.57 -1.93 2.58 116.94 125.78 2qra h PHE 1027Ca 0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2qra h PHE 1027Cb 0.00 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2qra h PHE 1027CO -0.37 -0.17 -0.19 -0.97 -2.23 0.00 0.00 178.31 174.38 2qra h ASN 1028N 0.01 0.00 0.12 0.41 -1.24 -1.63 -2.55 115.58 110.70 2qra h ASN 1028Ca 0.89 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 57.54 2qra h ASN 1028Cb 3.16 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 42.18 2qra h ASN 1028CO -0.28 0.19 -2.08 0.54 -1.29 0.00 0.00 177.43 174.51 2qra n ARG 1029N -3.77 0.73 -0.30 6.67 1.74 0.85 -4.00 116.66 118.59 2qra n ARG 1029Ca -0.02 0.24 0.18 0.00 -0.77 0.00 0.00 57.85 57.48 2qra n ARG 1029Cb 0.30 -1.68 0.44 0.00 -1.02 0.00 0.00 32.46 30.51 2qra n ARG 1029CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qra h LEU 1030N 0.05 0.55 -0.44 0.55 5.85 -0.84 -0.71 115.31 120.32 2qra h LEU 1030Ca -0.45 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.36 2qra h LEU 1030Cb 2.01 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.98 2qra h LEU 1030CO 0.06 0.19 0.26 0.11 -0.34 0.00 0.00 178.44 178.71 2qra h LYS 1031N 0.53 0.51 -0.09 1.25 1.57 -1.59 -2.15 116.57 116.59 2qra h LYS 1031Ca 0.53 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.31 2qra h LYS 1031Cb 1.15 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 2qra h LYS 1031CO -0.27 0.33 0.52 1.79 -0.57 0.00 0.00 179.45 181.25 2qra h THR 1032N 0.52 0.05 0.00 -0.16 1.35 -1.29 -2.90 112.91 110.48 2qra h THR 1032Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 2qra h THR 1032Cb 0.02 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 2qra h THR 1032CO -0.08 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.68 2qra n PHE 1033N -2.92 0.00 -2.31 4.73 3.01 -0.81 -4.45 117.46 114.71 2qra n PHE 1033Ca 0.01 -0.64 -0.43 0.00 1.01 0.00 0.00 57.45 57.40 2qra n PHE 1033Cb 0.58 -0.36 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 2qra n PHE 1033CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qra s ALA 1034N 0.31 3.61 -0.93 4.37 0.00 -1.10 -3.30 121.76 124.72 2qra s ALA 1034Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 2qra s ALA 1034Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2qra s ALA 1034CO 0.00 -1.09 0.78 0.09 0.00 0.00 0.00 175.76 175.54 2qra n ASN 1035N 6.20 -2.67 -4.75 0.00 5.03 -1.26 -4.97 115.26 112.84 2qra n ASN 1035Ca 0.14 -0.45 -0.38 0.00 0.87 0.00 0.00 54.58 54.76 2qra n ASN 1035Cb 0.44 -3.97 -0.06 0.00 -1.02 0.00 0.00 39.78 35.17 2qra n ASN 1035CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2qra s PHE 1036N -3.26 3.55 -0.00 3.10 5.36 -1.21 -4.93 117.98 120.59 2qra s PHE 1036Ca 0.09 0.85 -0.00 0.00 -0.96 0.00 0.00 56.93 56.91 2qra s PHE 1036Cb -0.04 -2.44 -0.00 0.00 -0.34 0.00 0.00 43.02 40.20 2qra s PHE 1036CO 0.55 0.30 0.00 -2.30 -1.46 0.00 0.00 175.22 172.31 2qra n PRO 1037N 3.19 0.00 0.00 10.12 -0.02 -1.26 -4.71 135.00 142.32 2qra n PRO 1037Ca -0.10 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.39 2qra n PRO 1037Cb 0.52 -0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.05 2qra n PRO 1037CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2qra n SER 1038N 0.01 0.00 -1.74 2.55 7.64 -1.26 -2.76 113.62 118.06 2qra n SER 1038Ca 0.00 0.39 0.02 0.00 1.01 0.00 0.00 58.87 60.28 2qra n SER 1038Cb -0.00 -0.40 0.05 0.00 -1.01 0.00 0.00 64.21 62.85 2qra n SER 1038CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qra n GLY 1039N -1.17 2.01 3.75 0.23 0.00 -1.26 -5.08 105.19 103.67 2qra n GLY 1039Ca 0.01 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2qra n GLY 1039CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qra s SER 1040N -2.69 6.87 0.16 1.61 0.15 -1.11 -4.87 113.70 113.82 2qra s SER 1040Ca 0.34 2.49 0.10 0.00 0.70 0.00 0.00 55.95 59.58 2qra s SER 1040Cb 0.37 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.61 2qra s SER 1040CO -0.11 -0.52 1.29 -0.81 1.20 0.00 0.00 173.24 174.29 2qra n PRO 1041N 2.02 0.07 -4.76 5.44 -0.04 -1.26 -4.37 135.00 132.09 2qra n PRO 1041Ca 0.04 0.55 -0.26 0.00 -0.04 0.00 0.00 63.50 63.79 2qra n PRO 1041Cb 0.42 -1.75 -0.16 0.00 -0.04 0.00 0.00 33.50 31.97 2qra n PRO 1041CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2qra s VAL 1042N -3.23 1.37 0.73 0.52 -7.23 -1.26 -4.74 120.40 106.56 2qra s VAL 1042Ca -0.01 -0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.40 2qra s VAL 1042Cb 0.03 -1.21 0.04 0.00 0.56 0.00 0.00 36.38 35.80 2qra s VAL 1042CO 0.09 0.40 1.10 -0.94 -0.31 0.00 0.00 175.10 175.44 2qra s SER 1043N 0.41 4.74 0.39 4.85 1.04 -1.26 -4.92 113.70 118.95 2qra s SER 1043Ca -0.12 1.87 0.17 0.00 0.48 0.00 0.00 55.95 58.35 2qra s SER 1043Cb -0.15 -2.53 0.79 0.00 0.10 0.00 0.00 66.02 64.23 2qra s SER 1043CO 0.04 -1.88 1.81 0.00 0.98 0.00 0.00 173.24 174.20 2qra h ALA 1044N -0.72 1.20 -0.04 5.32 0.00 -1.96 -2.43 119.26 120.63 2qra h ALA 1044Ca -0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 2qra h ALA 1044Cb 1.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2qra h ALA 1044CO 0.52 0.45 0.00 0.77 0.00 0.00 0.00 179.25 180.99 2qra h SER 1045N 0.00 0.07 0.02 0.00 0.02 -1.94 -0.30 113.55 111.42 2qra h SER 1045Ca -0.00 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2qra h SER 1045Cb 0.73 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 2qra h SER 1045CO 0.05 0.34 -0.14 0.74 -1.14 0.00 0.00 176.83 176.68 2qra h THR 1046N -0.20 0.66 -0.86 -2.27 2.02 -1.87 -0.58 112.91 109.81 2qra h THR 1046Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2qra h THR 1046Cb 0.31 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 2qra h THR 1046CO 0.00 0.00 0.49 -0.07 0.37 0.00 0.00 175.52 176.31 2qra h LEU 1047N -0.25 1.06 -0.85 2.58 3.38 -1.42 -1.53 115.31 118.28 2qra h LEU 1047Ca 0.04 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2qra h LEU 1047Cb 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2qra h LEU 1047CO -0.12 0.84 0.31 0.00 0.09 0.00 0.00 178.44 179.56 2qra h ALA 1048N 1.34 1.09 -0.33 1.53 0.00 -0.67 0.45 119.26 122.66 2qra h ALA 1048Ca 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2qra h ALA 1048Cb -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2qra h ALA 1048CO -0.05 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.02 2qra h ARG 1049N 1.13 0.47 -0.07 0.00 3.08 -0.38 -1.93 114.38 116.68 2qra h ARG 1049Ca 0.26 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2qra h ARG 1049Cb 0.21 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2qra h ARG 1049CO -0.02 0.41 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 2qra n ALA 1050N -2.24 1.74 -1.20 0.04 0.00 -0.64 -4.70 120.51 113.50 2qra n ALA 1050Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 2qra n ALA 1050Cb 0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 2qra n ALA 1050CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qra n GLY 1051N -0.06 0.49 3.86 0.00 0.00 -0.73 -4.90 105.19 103.85 2qra n GLY 1051Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 2qra n GLY 1051CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qra s PHE 1052N -2.07 3.65 -0.06 1.61 0.40 0.10 -2.42 117.98 119.18 2qra s PHE 1052Ca 0.00 0.83 0.04 0.00 -0.60 0.00 0.00 56.93 57.20 2qra s PHE 1052Cb 0.00 -2.18 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 2qra s PHE 1052CO 0.00 0.60 -0.18 -0.51 0.70 0.00 0.00 175.22 175.84 2qra s LEU 1053N -1.45 2.52 -0.04 -0.37 1.43 0.11 -4.06 118.68 116.82 2qra s LEU 1053Ca 0.27 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 2qra s LEU 1053Cb -0.15 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 2qra s LEU 1053CO 0.14 0.29 1.36 -0.47 0.23 0.00 0.00 176.35 177.91 2qra s TYR 1054N -0.44 2.85 -2.00 0.29 6.04 -1.26 -0.79 117.35 122.05 2qra s TYR 1054Ca 0.05 0.87 0.18 0.00 0.04 0.00 0.00 57.07 58.21 2qra s TYR 1054Cb -0.12 -3.61 1.05 0.00 -1.04 0.00 0.00 41.96 38.23 2qra s TYR 1054CO 0.02 -2.24 1.60 0.25 -1.54 0.00 0.00 175.55 173.65 2qra n THR 1055N 4.80 0.00 -1.29 4.34 -2.24 -0.90 -4.83 114.28 114.16 2qra n THR 1055Ca 0.13 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.86 2qra n THR 1055Cb 0.44 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 2qra n THR 1055CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qra n GLY 1056N 0.64 0.70 3.23 3.38 0.00 -1.26 -5.03 105.19 106.86 2qra n GLY 1056Ca 0.13 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2qra n GLY 1056CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qra s GLU 1057N -2.72 0.48 1.78 1.61 -1.05 -1.26 -5.09 118.70 112.45 2qra s GLU 1057Ca 0.00 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.07 2qra s GLU 1057Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2qra s GLU 1057CO 0.00 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.53 2qra n GLY 1058N 2.37 2.41 1.27 -3.83 0.00 -1.26 -1.45 105.19 104.70 2qra n GLY 1058Ca -0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 2qra n GLY 1058CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qra n ASP 1059N 0.84 2.67 -4.65 1.61 5.75 -1.26 -4.53 116.55 116.98 2qra n ASP 1059Ca 0.00 -3.56 -0.42 0.00 -0.01 0.00 0.00 54.79 50.80 2qra n ASP 1059Cb 0.00 -0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 39.61 2qra n ASP 1059CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qra s THR 1060N -3.40 4.83 0.32 2.12 2.01 -0.53 -4.32 115.64 116.68 2qra s THR 1060Ca 0.41 1.61 0.10 0.00 0.31 0.00 0.00 61.69 64.12 2qra s THR 1060Cb 0.38 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 2qra s THR 1060CO -0.04 -0.07 -0.09 0.68 -0.69 0.00 0.00 174.62 174.41 2qra s VAL 1061N 2.79 2.45 0.00 3.82 -7.23 0.11 -2.12 120.40 120.22 2qra s VAL 1061Ca 0.36 -2.18 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 2qra s VAL 1061Cb -0.15 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 2qra s VAL 1061CO 0.08 -0.25 0.00 -0.60 -0.31 0.00 0.00 175.10 174.02 2qra s ARG 1062N -3.61 0.15 0.22 4.82 3.52 0.03 -0.94 118.95 123.14 2qra s ARG 1062Ca 0.32 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 2qra s ARG 1062Cb -0.00 0.06 -0.09 0.00 -1.56 0.00 0.00 34.95 33.36 2qra s ARG 1062CO 0.17 -0.03 1.07 0.00 -0.81 0.00 0.00 175.30 175.71 2qra h PHE 1064N 4.48 0.40 -0.03 0.00 -5.15 -1.85 0.21 116.94 115.00 2qra h PHE 1064Ca -0.45 -0.16 -0.19 0.00 -0.20 0.00 0.00 57.97 56.96 2qra h PHE 1064Cb 1.21 -0.07 -0.01 0.00 0.22 0.00 0.00 35.95 37.31 2qra h PHE 1064CO 0.61 0.87 -0.80 0.66 -2.00 0.00 0.00 178.31 177.65 2qra h SER 1065N -0.18 0.36 0.00 -0.68 4.64 -1.94 -3.35 113.55 112.41 2qra h SER 1065Ca -0.01 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2qra h SER 1065Cb 0.88 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2qra h SER 1065CO 0.05 1.03 -0.79 0.00 -0.87 0.00 0.00 176.83 176.25 2qra n HIS 1067N -1.44 0.00 -2.36 0.00 8.25 0.73 -4.94 115.22 115.46 2qra n HIS 1067Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2qra n HIS 1067Cb 0.16 -1.85 -0.03 0.00 1.12 0.00 0.00 29.99 29.39 2qra n HIS 1067CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qra s ALA 1068N -1.42 3.48 -0.08 -1.41 0.00 -1.26 -4.49 121.76 116.59 2qra s ALA 1068Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 2qra s ALA 1068Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2qra s ALA 1068CO 0.00 -0.66 0.42 0.00 0.00 0.00 0.00 175.76 175.52 2qra s ALA 1069N 1.71 3.59 0.01 0.00 0.00 -1.26 -1.85 121.76 123.96 2qra s ALA 1069Ca 0.60 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.35 2qra s ALA 1069Cb -0.29 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 2qra s ALA 1069CO 0.27 0.22 -0.13 0.08 0.00 0.00 0.00 175.76 176.19 2qra s VAL 1070N -0.12 1.02 0.07 0.00 1.01 -0.12 -4.99 120.40 117.28 2qra s VAL 1070Ca 0.23 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2qra s VAL 1070Cb -0.15 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2qra s VAL 1070CO 0.10 0.14 0.10 -0.90 0.00 0.00 0.00 175.10 174.54 2qra n ASP 1071N 2.35 -0.26 -3.57 3.32 5.75 -1.26 -0.72 116.55 122.16 2qra n ASP 1071Ca -0.16 -1.42 -0.24 0.00 -0.01 0.00 0.00 54.79 52.96 2qra n ASP 1071Cb 0.55 0.50 0.05 0.00 -1.03 0.00 0.00 41.12 41.19 2qra n ASP 1071CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2qra n ARG 1072N -0.13 -2.52 -2.41 0.11 1.74 -1.26 -4.94 116.66 107.26 2qra n ARG 1072Ca 0.00 0.62 -0.40 0.00 -0.77 0.00 0.00 57.85 57.30 2qra n ARG 1072Cb 0.13 -4.89 -0.04 0.00 -1.02 0.00 0.00 32.46 26.64 2qra n ARG 1072CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2qra s TRP 1073N -3.50 3.46 0.25 -1.55 0.52 -1.26 -5.05 118.94 111.81 2qra s TRP 1073Ca 0.34 1.65 0.07 0.00 0.02 0.00 0.00 56.10 58.18 2qra s TRP 1073Cb -0.09 -3.35 -0.05 0.00 -1.15 0.00 0.00 33.47 28.83 2qra s TRP 1073CO 0.81 -0.79 -0.08 -0.65 0.02 0.00 0.00 176.95 176.26 2qra s GLN 1074N -1.57 1.47 0.17 4.98 -1.52 -1.26 -4.65 119.66 117.27 2qra s GLN 1074Ca 0.46 -1.72 -0.32 0.00 -1.95 0.00 0.00 55.36 51.84 2qra s GLN 1074Cb -0.33 -1.10 -0.11 0.00 -0.22 0.00 0.00 33.01 31.25 2qra s GLN 1074CO 0.42 0.07 1.72 0.71 -0.25 0.00 0.00 175.29 177.96 2qra s TYR 1075N -3.03 2.70 0.00 0.91 1.51 -1.26 -2.03 117.35 116.15 2qra s TYR 1075Ca 0.27 0.30 0.00 0.00 -1.01 0.00 0.00 57.07 56.63 2qra s TYR 1075Cb 0.02 -4.10 0.00 0.00 -0.11 0.00 0.00 41.96 37.78 2qra s TYR 1075CO 0.10 -4.26 0.00 0.41 -1.11 0.00 0.00 175.55 170.69 2qra n GLY 1076N 4.00 2.12 3.55 0.71 0.00 -1.26 -5.05 105.19 109.27 2qra n GLY 1076Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2qra n GLY 1076CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qra n ASP 1077N 0.00 0.12 -4.51 1.61 8.00 -0.86 -4.95 116.55 115.96 2qra n ASP 1077Ca 0.00 0.84 -0.37 0.00 0.71 0.00 0.00 54.79 55.97 2qra n ASP 1077Cb 0.00 -1.28 -0.12 0.00 -0.02 0.00 0.00 41.12 39.70 2qra n ASP 1077CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2qra s SER 1078N -1.09 5.46 0.12 -2.24 0.15 -1.26 -4.98 113.70 109.86 2qra s SER 1078Ca 0.70 -0.12 -0.17 0.00 0.70 0.00 0.00 55.95 57.06 2qra s SER 1078Cb -0.47 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2qra s SER 1078CO 0.53 -0.02 1.67 0.00 1.20 0.00 0.00 173.24 176.62 2qra h ALA 1079N 8.14 0.46 -0.31 5.45 0.00 -1.92 0.44 119.26 131.51 2qra h ALA 1079Ca -0.37 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 2qra h ALA 1079Cb 1.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2qra h ALA 1079CO 0.58 0.05 -0.46 0.28 0.00 0.00 0.00 179.25 179.70 2qra h VAL 1080N 0.42 1.28 -0.19 0.00 2.07 -1.90 -2.09 116.25 115.84 2qra h VAL 1080Ca 0.12 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 66.05 2qra h VAL 1080Cb 0.18 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 2qra h VAL 1080CO -0.01 0.54 -0.17 1.23 0.02 0.00 0.00 177.57 179.18 2qra h GLY 1081N 0.64 -0.06 2.00 2.17 0.00 -1.86 0.34 103.07 106.29 2qra h GLY 1081Ca 0.03 0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.47 2qra h GLY 1081CO 0.11 -0.17 -0.45 3.21 0.00 0.00 0.00 176.54 179.24 2qra h ARG 1082N -0.18 0.00 0.28 4.80 3.08 -0.13 -2.79 114.38 119.45 2qra h ARG 1082Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2qra h ARG 1082Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2qra h ARG 1082CO -0.30 0.45 -0.14 1.25 -1.07 0.00 0.00 179.97 180.16 2qra h HIS 1083N 0.00 -0.35 -0.10 3.04 2.76 -0.48 -1.74 115.15 118.27 2qra h HIS 1083Ca -0.00 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 2qra h HIS 1083Cb 0.86 0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.93 2qra h HIS 1083CO 0.00 -0.12 0.12 -0.09 -1.30 0.00 0.00 177.93 176.54 2qra h ARG 1084N -0.53 0.00 0.51 5.26 2.43 -0.34 -2.16 114.38 119.56 2qra h ARG 1084Ca -0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2qra h ARG 1084Cb 0.39 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2qra h ARG 1084CO 0.06 0.00 -0.25 0.87 -1.51 0.00 0.00 179.97 179.15 2qra h LYS 1085N 0.00 -0.66 0.00 0.20 1.79 -1.05 -0.45 116.57 116.39 2qra h LYS 1085Ca 0.05 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2qra h LYS 1085Cb 0.29 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2qra h LYS 1085CO -0.00 -0.36 0.00 1.33 -1.08 0.00 0.00 179.45 179.34 2qra n VAL 1086N -5.27 0.31 -2.72 0.50 0.24 -0.88 -4.34 118.33 106.16 2qra n VAL 1086Ca -0.10 0.08 -0.05 0.00 -2.04 0.00 0.00 64.34 62.22 2qra n VAL 1086Cb 0.32 -0.69 0.03 0.00 -1.47 0.00 0.00 33.84 32.03 2qra n VAL 1086CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qra n SER 1087N -1.35 -2.56 0.30 -1.34 7.64 -0.85 -5.00 113.62 110.47 2qra n SER 1087Ca 0.10 -2.38 0.19 0.00 1.01 0.00 0.00 58.87 57.78 2qra n SER 1087Cb 0.21 1.39 1.01 0.00 -1.01 0.00 0.00 64.21 65.81 2qra n SER 1087CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2qra h PRO 1088N 4.32 0.00 -3.49 1.43 0.13 -1.27 -3.21 132.00 129.91 2qra h PRO 1088Ca -0.05 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.39 2qra h PRO 1088Cb 1.12 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.89 2qra h PRO 1088CO 0.03 0.00 -0.35 -0.80 -0.23 0.00 0.00 178.00 176.65 2qra s ASN 1089N -5.45 5.26 -0.07 1.44 0.01 -1.26 -4.90 114.94 109.96 2qra s ASN 1089Ca -0.05 -3.06 0.01 0.00 -0.71 0.00 0.00 52.86 49.05 2qra s ASN 1089Cb 0.13 -1.84 0.02 0.00 0.41 0.00 0.00 41.25 39.98 2qra s ASN 1089CO 0.46 -0.31 -0.06 0.00 -1.51 0.00 0.00 177.10 175.67 2qra h ARG 1091N 7.57 -0.33 -0.43 0.00 3.08 -1.94 -0.88 114.38 121.45 2qra h ARG 1091Ca -0.31 0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.85 2qra h ARG 1091Cb 1.15 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.18 2qra h ARG 1091CO 0.42 -0.22 -0.21 0.35 -1.07 0.00 0.00 179.97 179.24 2qra h PHE 1092N -0.34 -0.53 -0.03 3.04 3.57 -1.95 -1.18 116.94 119.52 2qra h PHE 1092Ca 0.13 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2qra h PHE 1092Cb 0.56 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2qra h PHE 1092CO -0.51 -0.29 -0.16 0.82 -2.23 0.00 0.00 178.31 175.94 2qra h ILE 1093N -0.12 1.13 -0.47 1.41 1.08 -1.77 -2.53 117.51 116.24 2qra h ILE 1093Ca 0.21 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2qra h ILE 1093Cb 0.45 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2qra h ILE 1093CO -0.51 0.18 0.00 0.59 -0.69 0.00 0.00 178.15 177.72 2qra n ASN 1094N -4.33 3.25 0.00 1.72 3.02 -0.40 -4.94 115.26 113.58 2qra n ASN 1094Ca -0.02 -2.22 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 2qra n ASN 1094Cb 0.24 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2qra n ASN 1094CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qra n GLY 1095N 1.01 0.56 0.32 7.41 0.00 -0.80 -4.91 105.19 108.78 2qra n GLY 1095Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 2qra n GLY 1095CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qra h PHE 1096N 0.00 0.00 -3.59 1.61 3.04 -1.57 -3.40 116.94 113.03 2qra h PHE 1096Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2qra h PHE 1096Cb 0.04 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.55 2qra h PHE 1096CO 0.03 0.00 0.00 0.66 -2.02 0.00 0.00 178.31 176.98 2qra n TYR 1097N -2.53 -0.36 -3.81 0.41 4.02 -1.26 -4.88 117.16 108.75 2qra n TYR 1097Ca -0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 2qra n TYR 1097Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.15 2qra n TYR 1097CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2qra n LEU 1098N 0.00 -1.83 -0.95 7.72 4.77 -1.26 -5.12 117.00 120.33 2qra n LEU 1098Ca 0.00 -0.98 0.12 0.00 -0.03 0.00 0.00 56.01 55.11 2qra n LEU 1098Cb 0.00 -1.64 0.10 0.00 -2.33 0.00 0.00 43.42 39.55 2qra n LEU 1098CO 0.00 0.40 0.63 -0.62 -1.33 0.00 0.00 177.39 176.47