#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kre n SER 1204N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.14 113.62 112.24 2kre n SER 1204Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kre n SER 1204Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kre n SER 1204CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kre n HIS 1205N 0.00 0.00 0.00 7.33 -0.00 -1.26 -5.00 115.22 116.29 2kre n HIS 1205Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kre n HIS 1205Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2kre n HIS 1205CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2kre n LYS 1206N -0.26 0.00 -3.01 -1.40 5.02 -1.26 -4.85 118.16 112.39 2kre n LYS 1206Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2kre n LYS 1206Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2kre n LYS 1206CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2kre n PHE 1207N 0.00 0.00 0.00 2.13 3.01 -1.26 -1.61 117.46 119.73 2kre n PHE 1207Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2kre n PHE 1207Cb 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 39.48 38.49 2kre n PHE 1207CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kre n ALA 1208N 2.47 2.23 -1.00 4.37 0.00 -1.26 -3.19 120.51 124.13 2kre n ALA 1208Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kre n ALA 1208Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2kre n ALA 1208CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kre n GLU 1209N -1.74 0.00 0.00 0.00 1.02 -1.26 -4.66 120.64 114.00 2kre n GLU 1209Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2kre n GLU 1209Cb 0.01 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2kre n GLU 1209CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2kre n LYS 1210N -0.34 0.00 -0.38 3.49 4.81 -1.26 -4.74 118.16 119.73 2kre n LYS 1210Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kre n LYS 1210Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2kre n LYS 1210CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2kre n VAL 1211N 0.00 0.00 -2.00 3.15 3.14 -1.26 -4.84 118.33 116.52 2kre n VAL 1211Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 2kre n VAL 1211Cb 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.82 2kre n VAL 1211CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2kre n GLU 1212N 0.57 3.35 -5.03 1.45 -0.58 -1.26 -5.02 120.64 114.12 2kre n GLU 1212Ca 0.00 -4.06 -0.32 0.00 -0.42 0.00 0.00 57.16 52.36 2kre n GLU 1212Cb 0.00 -2.19 -0.15 0.00 -0.57 0.00 0.00 31.44 28.53 2kre n GLU 1212CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2kre s GLU 1213N -3.56 2.84 0.01 3.49 2.02 -1.26 -5.05 118.70 117.19 2kre s GLU 1213Ca 0.49 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.67 2kre s GLU 1213Cb 0.40 -2.36 -0.01 0.00 0.10 0.00 0.00 34.13 32.26 2kre s GLU 1213CO 0.03 0.37 1.03 0.82 0.02 0.00 0.00 175.26 177.52 2kre h ILE 1214N 5.07 0.00 0.00 -1.63 5.03 -2.04 -3.43 117.51 120.51 2kre h ILE 1214Ca -0.32 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 2kre h ILE 1214Cb 1.19 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.98 2kre h ILE 1214CO 0.50 0.00 -0.03 0.52 -0.68 0.00 0.00 178.15 178.46 2kre n VAL 1215N -2.85 0.51 -1.89 1.67 0.31 -1.26 -5.15 118.33 109.67 2kre n VAL 1215Ca -0.00 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2kre n VAL 1215Cb 0.02 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 2kre n VAL 1215CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kre n ALA 1216N -3.45 -1.85 -0.09 3.52 0.00 -1.26 -4.93 120.51 112.45 2kre n ALA 1216Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 2kre n ALA 1216Cb 0.01 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 2kre n ALA 1216CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kre n LYS 1217N 0.65 0.68 -0.01 0.00 4.76 -1.26 -5.07 118.16 117.91 2kre n LYS 1217Ca 0.00 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2kre n LYS 1217Cb 0.00 -1.57 -0.00 0.00 -1.84 0.00 0.00 35.03 31.62 2kre n LYS 1217CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2kre n ASN 1218N -3.10 -0.67 -3.11 4.39 3.02 -1.26 -4.66 115.26 109.88 2kre n ASN 1218Ca -0.37 0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 53.99 2kre n ASN 1218Cb 1.06 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 40.15 2kre n ASN 1218CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kre n ALA 1219N -0.03 1.68 -1.32 5.41 0.00 -1.26 -4.91 120.51 120.08 2kre n ALA 1219Ca 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 53.44 50.33 2kre n ALA 1219Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 2kre n ALA 1219CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kre n ARG 1220N 1.10 -1.31 0.00 0.00 5.12 -1.26 -4.87 116.66 115.45 2kre n ARG 1220Ca 0.20 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 2kre n ARG 1220Cb 0.58 -4.47 0.00 0.00 -1.16 0.00 0.00 32.46 27.41 2kre n ARG 1220CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kre n ALA 1221N -0.62 0.00 -2.00 7.54 0.00 -1.26 -5.06 120.51 119.11 2kre n ALA 1221Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kre n ALA 1221Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2kre n ALA 1221CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kre n GLU 1222N 0.00 0.00 -4.49 0.00 1.02 -1.26 -5.15 120.64 110.76 2kre n GLU 1222Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 2kre n GLU 1222Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2kre n GLU 1222CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2kre s ILE 1223N 1.45 2.11 0.58 -3.67 1.01 -1.26 -4.96 121.20 116.47 2kre s ILE 1223Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 60.65 58.42 2kre s ILE 1223Cb 0.00 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.98 2kre s ILE 1223CO 0.00 -0.29 0.90 -0.90 0.00 0.00 0.00 174.94 174.65 2kre n ASP 1224N -0.68 0.00 -1.79 3.58 5.75 -1.26 0.12 116.55 122.26 2kre n ASP 1224Ca -0.05 0.44 -0.14 0.00 -0.01 0.00 0.00 54.79 55.03 2kre n ASP 1224Cb 0.63 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.76 2kre n ASP 1224CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2kre n TYR 1225N -2.28 1.41 -1.01 2.11 4.01 -1.26 -4.39 117.16 115.76 2kre n TYR 1225Ca 0.00 -1.72 -0.23 0.00 -0.16 0.00 0.00 57.90 55.80 2kre n TYR 1225Cb 0.90 -0.84 0.14 0.00 -0.31 0.00 0.00 39.34 39.23 2kre n TYR 1225CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2kre n SER 1226N 0.28 4.30 0.05 7.72 7.64 0.32 -4.60 113.62 129.33 2kre n SER 1226Ca 0.27 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.70 2kre n SER 1226Cb 0.67 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2kre n SER 1226CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kre n ASP 1227N -0.90 -0.82 -0.64 6.43 9.92 -1.26 -1.03 116.55 128.25 2kre n ASP 1227Ca 0.53 0.21 0.09 0.00 -0.53 0.00 0.00 54.79 55.08 2kre n ASP 1227Cb 1.39 1.05 -0.02 0.00 -0.64 0.00 0.00 41.12 42.89 2kre n ASP 1227CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kre n ALA 1228N -2.75 -1.66 -0.63 2.24 0.00 -1.26 -3.56 120.51 112.90 2kre n ALA 1228Ca 0.00 0.23 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 2kre n ALA 1228Cb 0.00 -0.59 0.16 0.00 0.00 0.00 0.00 19.45 19.02 2kre n ALA 1228CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kre n PRO 1229N -2.69 -1.84 0.00 0.00 -0.02 -1.26 -4.64 135.00 124.54 2kre n PRO 1229Ca -0.00 -0.53 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 2kre n PRO 1229Cb 0.29 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2kre n PRO 1229CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kre n ASP 1230N -1.33 1.18 -0.01 2.55 5.68 -1.26 -3.06 116.55 120.29 2kre n ASP 1230Ca 0.02 -0.84 -0.04 0.00 -0.50 0.00 0.00 54.79 53.43 2kre n ASP 1230Cb 0.54 -0.21 -0.01 0.00 -1.14 0.00 0.00 41.12 40.30 2kre n ASP 1230CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2kre n GLU 1231N 0.74 0.22 -0.01 0.11 -0.58 -1.26 -4.64 120.64 115.23 2kre n GLU 1231Ca 0.00 0.09 0.07 0.00 -0.42 0.00 0.00 57.16 56.90 2kre n GLU 1231Cb 0.20 -0.88 0.40 0.00 -0.57 0.00 0.00 31.44 30.59 2kre n GLU 1231CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2kre n PHE 1232N -3.86 0.02 -2.98 -0.32 3.72 -1.17 -4.84 117.46 108.03 2kre n PHE 1232Ca -0.07 -0.01 -0.36 0.00 -0.05 0.00 0.00 57.45 56.96 2kre n PHE 1232Cb 0.25 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.73 2kre n PHE 1232CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2kre s ARG 1233N -1.98 4.35 -0.10 -1.08 0.52 -1.22 -2.44 118.95 117.00 2kre s ARG 1233Ca 0.22 1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 56.15 2kre s ARG 1233Cb 0.10 -2.79 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 2kre s ARG 1233CO 0.17 0.32 1.06 0.34 0.02 0.00 0.00 175.30 177.20 2kre s ASP 1234N -1.71 7.19 0.32 0.23 -1.08 -0.53 -4.85 116.67 116.24 2kre s ASP 1234Ca 0.47 1.59 0.09 0.00 -0.52 0.00 0.00 52.55 54.18 2kre s ASP 1234Cb -0.16 -2.56 0.93 0.00 -1.46 0.00 0.00 42.92 39.67 2kre s ASP 1234CO 0.21 -0.49 1.65 -0.65 0.52 0.00 0.00 175.17 176.41 2kre h PRO 1235N 7.21 0.26 0.00 4.34 0.11 -1.91 0.64 132.00 142.66 2kre h PRO 1235Ca -0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2kre h PRO 1235Cb 1.15 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2kre h PRO 1235CO 0.87 0.17 -0.99 -0.11 -0.21 0.00 0.00 178.00 177.74 2kre n LEU 1236N -5.13 1.90 0.32 2.35 7.94 -1.26 -4.45 117.00 118.67 2kre n LEU 1236Ca 0.27 0.32 0.18 0.00 -1.11 0.00 0.00 56.01 55.67 2kre n LEU 1236Cb 0.86 -0.72 0.96 0.00 0.53 0.00 0.00 43.42 45.05 2kre n LEU 1236CO 0.08 -0.28 1.12 -0.03 -1.11 0.00 0.00 177.39 177.17 2kre h MET 1237N -0.95 0.00 -1.84 1.96 4.05 -1.98 -3.44 114.93 112.74 2kre h MET 1237Ca -0.02 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.13 2kre h MET 1237Cb 0.96 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.67 2kre h MET 1237CO -0.01 0.00 -0.27 -0.25 0.23 0.00 0.00 176.91 176.61 2kre n ASP 1238N -2.89 -3.68 -4.28 1.39 9.92 0.22 -4.87 116.55 112.37 2kre n ASP 1238Ca -0.02 0.30 -0.24 0.00 -0.53 0.00 0.00 54.79 54.29 2kre n ASP 1238Cb 0.22 -3.36 -0.13 0.00 -0.64 0.00 0.00 41.12 37.21 2kre n ASP 1238CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kre s THR 1239N -2.25 1.71 -0.37 -3.53 2.01 -1.26 -4.59 115.64 107.36 2kre s THR 1239Ca 0.00 -1.49 -0.33 0.00 0.31 0.00 0.00 61.69 60.17 2kre s THR 1239Cb 0.00 -1.54 -0.10 0.00 0.01 0.00 0.00 72.50 70.86 2kre s THR 1239CO 0.00 -0.02 2.24 -0.11 -0.69 0.00 0.00 174.62 176.04 2kre n LEU 1240N 1.20 2.24 -4.74 4.42 0.00 -0.20 -1.45 117.00 118.46 2kre n LEU 1240Ca -0.19 0.29 -0.40 0.00 0.00 0.00 0.00 56.01 55.72 2kre n LEU 1240Cb 0.53 -1.32 0.03 0.00 0.00 0.00 0.00 43.42 42.66 2kre n LEU 1240CO 0.22 -0.79 1.00 0.23 0.00 0.00 0.00 177.39 178.05 2kre n MET 1241N 8.37 1.98 -0.03 1.96 2.81 -1.02 -4.82 117.12 126.37 2kre n MET 1241Ca 0.40 0.71 -0.01 0.00 -1.81 0.00 0.00 57.70 57.00 2kre n MET 1241Cb 0.28 -2.56 -0.13 0.00 -0.71 0.00 0.00 33.22 30.09 2kre n MET 1241CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2kre n THR 1242N -0.53 0.95 -3.40 2.03 -2.24 -1.26 -4.74 114.28 105.09 2kre n THR 1242Ca 0.07 -0.70 -0.24 0.00 -2.27 0.00 0.00 64.05 60.91 2kre n THR 1242Cb 0.42 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 2kre n THR 1242CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kre s ASP 1243N -5.34 2.08 -0.32 3.42 1.47 -1.26 -5.05 116.67 111.67 2kre s ASP 1243Ca -0.07 -2.05 -0.29 0.00 1.18 0.00 0.00 52.55 51.33 2kre s ASP 1243Cb 0.09 -0.01 -0.01 0.00 -0.34 0.00 0.00 42.92 42.65 2kre s ASP 1243CO 0.84 -0.27 1.61 -2.16 0.68 0.00 0.00 175.17 175.88 2kre s PRO 1244N 1.10 3.56 -0.00 2.11 0.04 -1.25 -1.91 135.00 138.64 2kre s PRO 1244Ca 0.19 1.35 0.08 0.00 0.04 0.00 0.00 61.00 62.66 2kre s PRO 1244Cb -0.17 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 2kre s PRO 1244CO -0.02 -1.58 -0.24 0.14 0.04 0.00 0.00 177.00 175.33 2kre s VAL 1245N 5.88 1.93 -0.10 -0.36 -7.23 -0.06 -2.62 120.40 117.84 2kre s VAL 1245Ca 0.71 -1.10 -0.19 0.00 -1.81 0.00 0.00 61.98 59.59 2kre s VAL 1245Cb -0.20 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2kre s VAL 1245CO 0.32 0.49 0.51 -0.60 -0.31 0.00 0.00 175.10 175.51 2kre s ARG 1246N -0.71 4.34 0.34 4.82 3.00 -0.34 -1.60 118.95 128.79 2kre s ARG 1246Ca 0.10 0.53 -0.16 0.00 -1.00 0.00 0.00 55.73 55.20 2kre s ARG 1246Cb -0.09 -3.42 -0.09 0.00 0.00 0.00 0.00 34.95 31.34 2kre s ARG 1246CO -0.00 0.18 0.76 -0.51 0.00 0.00 0.00 175.30 175.73 2kre s LEU 1247N 0.52 4.05 0.26 -0.88 2.01 0.27 -2.17 118.68 122.74 2kre s LEU 1247Ca 0.28 1.33 -0.02 0.00 0.01 0.00 0.00 54.13 55.73 2kre s LEU 1247Cb -0.16 -4.14 0.47 0.00 0.01 0.00 0.00 46.19 42.38 2kre s LEU 1247CO 0.12 -0.22 1.83 1.55 1.01 0.00 0.00 176.35 180.63 2kre h PRO 1248N 2.21 0.88 0.25 1.29 0.13 -1.87 -2.56 132.00 132.33 2kre h PRO 1248Ca -0.48 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2kre h PRO 1248Cb 1.18 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2kre h PRO 1248CO 0.65 0.58 -0.33 1.03 -0.23 0.00 0.00 178.00 179.70 2kre h SER 1249N 0.91 -0.92 0.00 1.44 0.87 -1.95 -3.46 113.55 110.43 2kre h SER 1249Ca 0.45 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2kre h SER 1249Cb 0.41 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2kre h SER 1249CO -0.25 -0.45 0.00 0.61 -0.53 0.00 0.00 176.83 176.21 2kre n GLY 1250N -1.44 -0.49 3.55 5.77 0.00 -0.97 -5.15 105.19 106.46 2kre n GLY 1250Ca -0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2kre n GLY 1250CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kre s THR 1251N 0.00 0.00 0.04 2.61 2.01 -1.25 -4.97 115.64 114.08 2kre s THR 1251Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 2kre s THR 1251Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2kre s THR 1251CO 0.00 0.00 0.01 -0.63 -0.69 0.00 0.00 174.62 173.31 2kre s ILE 1252N -1.47 4.15 0.00 1.82 -1.09 -1.26 0.93 121.20 124.29 2kre s ILE 1252Ca -0.04 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 2kre s ILE 1252Cb -0.00 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 2kre s ILE 1252CO 0.02 0.26 0.00 1.15 -1.23 0.00 0.00 174.94 175.14 2kre n MET 1253N 0.99 0.00 -3.89 2.79 0.00 -0.63 -4.65 117.12 111.73 2kre n MET 1253Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.22 2kre n MET 1253Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.64 2kre n MET 1253CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2kre s ASP 1254N -0.09 5.55 0.18 3.17 -1.08 -1.26 -0.88 116.67 122.28 2kre s ASP 1254Ca 0.00 -0.00 0.09 0.00 -0.52 0.00 0.00 52.55 52.12 2kre s ASP 1254Cb 0.00 -1.97 0.51 0.00 -1.46 0.00 0.00 42.92 39.99 2kre s ASP 1254CO 0.00 0.09 1.20 -1.14 0.52 0.00 0.00 175.17 175.84 2kre n ARG 1255N 4.07 0.06 0.00 4.34 0.00 -0.80 -2.31 116.66 122.02 2kre n ARG 1255Ca -0.16 0.50 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 2kre n ARG 1255Cb 0.52 -1.86 0.00 0.00 0.00 0.00 0.00 32.46 31.12 2kre n ARG 1255CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2kre n SER 1256N -1.81 0.00 -0.24 6.15 3.41 -1.26 -1.64 113.62 118.23 2kre n SER 1256Ca -0.01 0.32 0.08 0.00 -0.26 0.00 0.00 58.87 59.00 2kre n SER 1256Cb 0.17 -0.26 0.17 0.00 -0.26 0.00 0.00 64.21 64.03 2kre n SER 1256CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2kre n ILE 1257N -1.29 -0.29 0.23 -1.33 2.08 -1.04 0.17 119.36 117.89 2kre n ILE 1257Ca 0.00 1.55 -0.15 0.00 0.56 0.00 0.00 62.75 64.70 2kre n ILE 1257Cb 0.00 -2.22 -0.07 0.00 -0.75 0.00 0.00 39.64 36.60 2kre n ILE 1257CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2kre h ILE 1258N 0.00 0.44 -0.15 1.39 1.08 -1.58 -0.47 117.51 118.22 2kre h ILE 1258Ca 0.39 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.87 2kre h ILE 1258Cb 0.74 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 2kre h ILE 1258CO -0.67 0.00 -0.09 -0.11 -0.69 0.00 0.00 178.15 176.59 2kre n LEU 1259N -5.39 -0.16 0.06 1.44 0.00 0.45 0.39 117.00 113.78 2kre n LEU 1259Ca -0.10 0.70 -0.07 0.00 0.00 0.00 0.00 56.01 56.54 2kre n LEU 1259Cb 0.30 -0.25 0.10 0.00 0.00 0.00 0.00 43.42 43.57 2kre n LEU 1259CO 0.32 -0.43 0.47 0.08 0.00 0.00 0.00 177.39 177.83 2kre h ARG 1260N 0.00 0.34 -0.75 1.96 0.11 -1.57 -3.31 114.38 111.17 2kre h ARG 1260Ca 0.02 -0.23 0.07 0.00 0.10 0.00 0.00 59.98 59.94 2kre h ARG 1260Cb 0.06 0.03 -0.09 0.00 1.11 0.00 0.00 29.97 31.09 2kre h ARG 1260CO -0.14 0.83 -0.44 1.58 0.10 0.00 0.00 179.97 181.90 2kre n HIS 1261N -3.90 -0.33 -0.37 4.08 -0.00 0.16 0.20 115.22 115.07 2kre n HIS 1261Ca -0.03 0.93 0.02 0.00 0.46 0.00 0.00 57.72 59.10 2kre n HIS 1261Cb 0.62 -0.55 0.08 0.00 -0.12 0.00 0.00 29.99 30.02 2kre n HIS 1261CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2kre h LEU 1262N 0.00 -1.21 -0.91 0.27 3.38 -1.51 0.61 115.31 115.94 2kre h LEU 1262Ca 0.12 0.30 0.33 0.00 0.09 0.00 0.00 57.88 58.72 2kre h LEU 1262Cb 0.31 0.69 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 2kre h LEU 1262CO -0.70 -0.31 0.29 -0.11 0.09 0.00 0.00 178.44 177.71 2kre n LEU 1263N -5.54 0.14 -2.85 1.67 7.94 0.13 -1.26 117.00 117.23 2kre n LEU 1263Ca 0.13 1.53 -0.19 0.00 -1.11 0.00 0.00 56.01 56.37 2kre n LEU 1263Cb 0.44 -0.66 -0.01 0.00 0.53 0.00 0.00 43.42 43.72 2kre n LEU 1263CO -0.13 -1.64 -0.05 -0.46 -1.11 0.00 0.00 177.39 174.00 2kre n ASN 1264N -5.18 2.41 0.00 1.96 2.04 0.20 -4.89 115.26 111.80 2kre n ASN 1264Ca 0.29 -3.18 0.00 0.00 -0.44 0.00 0.00 54.58 51.26 2kre n ASN 1264Cb 0.98 -0.55 0.00 0.00 -2.53 0.00 0.00 39.78 37.67 2kre n ASN 1264CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2kre n SER 1265N -0.06 0.00 0.00 0.53 3.41 -0.35 -4.97 113.62 112.19 2kre n SER 1265Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2kre n SER 1265Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2kre n SER 1265CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2kre n PRO 1266N 0.00 0.00 -4.52 4.33 -0.04 -1.14 -3.90 135.00 129.73 2kre n PRO 1266Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2kre n PRO 1266Cb 0.00 -1.30 -0.17 0.00 -0.04 0.00 0.00 33.50 31.99 2kre n PRO 1266CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2kre s THR 1267N -1.60 1.53 0.46 0.52 -4.23 -1.26 0.48 115.64 111.53 2kre s THR 1267Ca 0.00 -0.67 -0.12 0.00 -1.18 0.00 0.00 61.69 59.72 2kre s THR 1267Cb 0.00 -1.39 -0.10 0.00 1.34 0.00 0.00 72.50 72.35 2kre s THR 1267CO 0.00 0.45 -0.24 -0.67 -0.54 0.00 0.00 174.62 173.62 2kre n ASP 1268N 4.13 -3.04 0.19 3.99 -0.08 -0.81 -4.69 116.55 116.24 2kre n ASP 1268Ca -0.19 0.34 0.13 0.00 -1.51 0.00 0.00 54.79 53.56 2kre n ASP 1268Cb 0.51 -0.56 0.36 0.00 2.34 0.00 0.00 41.12 43.78 2kre n ASP 1268CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2kre h PRO 1269N -0.23 0.00 0.00 -0.67 0.13 -1.93 -3.15 132.00 126.15 2kre h PRO 1269Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2kre h PRO 1269Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2kre h PRO 1269CO 0.24 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.20 2kre n PHE 1270N -2.76 0.00 0.18 1.56 3.72 -1.26 -4.59 117.46 114.31 2kre n PHE 1270Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2kre n PHE 1270Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 2kre n PHE 1270CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2kre n ASN 1271N 0.00 0.38 -2.51 4.37 6.94 -1.26 -4.74 115.26 118.44 2kre n ASN 1271Ca 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.19 2kre n ASN 1271Cb 0.00 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 2kre n ASN 1271CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2kre n ARG 1272N 0.68 -0.87 -4.89 -3.83 1.85 -1.19 -4.80 116.66 103.61 2kre n ARG 1272Ca 0.00 -0.17 -0.33 0.00 -1.00 0.00 0.00 57.85 56.35 2kre n ARG 1272Cb 0.07 0.31 -0.13 0.00 -1.05 0.00 0.00 32.46 31.66 2kre n ARG 1272CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2kre s GLN 1273N -3.18 2.64 -0.40 2.89 -1.52 -1.26 -4.77 119.66 114.05 2kre s GLN 1273Ca 0.00 -0.70 -0.31 0.00 -1.95 0.00 0.00 55.36 52.40 2kre s GLN 1273Cb 0.00 -2.41 -0.14 0.00 -0.22 0.00 0.00 33.01 30.24 2kre s GLN 1273CO 0.00 0.55 1.60 2.41 -0.25 0.00 0.00 175.29 179.60 2kre n THR 1274N 2.53 0.00 -2.97 -0.19 -1.04 -1.26 -1.92 114.28 109.42 2kre n THR 1274Ca -0.17 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.42 2kre n THR 1274Cb 0.52 -0.36 -0.05 0.00 -1.82 0.00 0.00 70.33 68.62 2kre n THR 1274CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2kre s LEU 1275N 4.60 4.08 -0.04 -4.42 0.20 0.18 -4.82 118.68 118.46 2kre s LEU 1275Ca 0.88 0.87 0.06 0.00 0.69 0.00 0.00 54.13 56.64 2kre s LEU 1275Cb -1.07 -3.06 -0.02 0.00 -0.43 0.00 0.00 46.19 41.61 2kre s LEU 1275CO 0.47 -0.48 -0.23 0.28 -0.29 0.00 0.00 176.35 176.09 2kre s THR 1276N 2.74 2.25 -0.16 3.68 -1.32 -1.26 -4.79 115.64 116.79 2kre s THR 1276Ca 0.31 -1.02 0.01 0.00 -1.21 0.00 0.00 61.69 59.79 2kre s THR 1276Cb -0.15 -1.81 0.19 0.00 -1.51 0.00 0.00 72.50 69.22 2kre s THR 1276CO 0.08 0.58 1.24 -0.62 -2.21 0.00 0.00 174.62 173.69 2kre n GLU 1277N 2.61 1.39 0.00 7.08 1.02 -1.26 -3.69 120.64 127.79 2kre n GLU 1277Ca -0.17 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 2kre n GLU 1277Cb 0.52 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 2kre n GLU 1277CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2kre n SER 1278N 0.04 0.65 0.19 1.62 7.64 -1.26 -4.81 113.62 117.69 2kre n SER 1278Ca 0.16 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.08 2kre n SER 1278Cb 0.82 0.00 0.40 0.00 -1.01 0.00 0.00 64.21 64.41 2kre n SER 1278CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2kre h MET 1279N 0.00 0.00 -7.18 1.43 2.86 -1.99 -3.44 114.93 106.60 2kre h MET 1279Ca 0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.17 2kre h MET 1279Cb 0.34 0.00 0.21 0.00 0.06 0.00 0.00 31.60 32.21 2kre h MET 1279CO 0.00 0.34 0.08 1.47 1.06 0.00 0.00 176.91 179.86 2kre n LEU 1280N -4.05 0.60 -3.72 1.22 -0.00 -1.24 -4.69 117.00 105.12 2kre n LEU 1280Ca -0.02 0.09 -0.16 0.00 -0.00 0.00 0.00 56.01 55.92 2kre n LEU 1280Cb 0.39 -1.35 -0.15 0.00 -0.00 0.00 0.00 43.42 42.30 2kre n LEU 1280CO 0.38 -2.81 -0.26 -1.61 -0.00 0.00 0.00 177.39 173.09 2kre s GLU 1281N -4.49 0.04 0.08 1.47 0.41 -0.92 -5.00 118.70 110.28 2kre s GLU 1281Ca 0.68 0.41 -0.30 0.00 -0.41 0.00 0.00 54.97 55.35 2kre s GLU 1281Cb -0.24 -0.25 -0.06 0.00 -1.78 0.00 0.00 34.13 31.79 2kre s GLU 1281CO 0.62 -0.23 1.19 -1.25 -0.49 0.00 0.00 175.26 175.10 2kre s PRO 1282N 1.64 4.45 -0.35 0.39 0.04 -1.26 -1.20 135.00 138.71 2kre s PRO 1282Ca -0.04 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2kre s PRO 1282Cb -0.12 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 31.15 2kre s PRO 1282CO -0.05 -0.22 0.10 0.08 0.04 0.00 0.00 177.00 176.94 2kre s VAL 1283N 0.88 3.28 -2.17 -0.36 1.01 -1.08 -4.94 120.40 117.03 2kre s VAL 1283Ca 0.58 -1.56 0.26 0.00 0.00 0.00 0.00 61.98 61.26 2kre s VAL 1283Cb -0.30 -3.01 0.65 0.00 0.00 0.00 0.00 36.38 33.73 2kre s VAL 1283CO 0.30 -0.33 1.87 -0.81 0.00 0.00 0.00 175.10 176.13 2kre n PRO 1284N 4.66 1.29 0.30 2.72 -0.04 -1.26 -3.95 135.00 138.72 2kre n PRO 1284Ca -0.09 -0.43 0.20 0.00 -0.04 0.00 0.00 63.50 63.14 2kre n PRO 1284Cb 0.43 -1.43 0.93 0.00 -0.04 0.00 0.00 33.50 33.39 2kre n PRO 1284CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kre h GLU 1285N 0.97 0.00 0.00 0.54 4.81 -1.96 -3.04 114.58 115.89 2kre h GLU 1285Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kre h GLU 1285Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2kre h GLU 1285CO 0.00 0.00 -0.62 1.47 -0.73 0.00 0.00 179.01 179.13 2kre n LEU 1286N -3.05 0.08 0.13 1.64 -0.00 -1.25 -4.70 117.00 109.84 2kre n LEU 1286Ca -0.01 -0.26 -0.05 0.00 -0.00 0.00 0.00 56.01 55.68 2kre n LEU 1286Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.59 2kre n LEU 1286CO 0.23 0.02 0.39 0.50 -0.00 0.00 0.00 177.39 178.53 2kre h LYS 1287N 0.00 -0.32 -0.78 1.47 3.11 -1.71 0.58 116.57 118.93 2kre h LYS 1287Ca 0.00 0.02 0.18 0.00 -2.81 0.00 0.00 60.65 58.04 2kre h LYS 1287Cb 0.11 0.07 -0.15 0.00 -1.00 0.00 0.00 32.23 31.26 2kre h LYS 1287CO 0.00 -0.21 -0.10 -0.85 -2.81 0.00 0.00 179.45 175.48 2kre n GLU 1288N -3.09 -0.07 -0.12 1.90 0.28 -1.23 0.24 120.64 118.55 2kre n GLU 1288Ca -0.04 1.20 -0.10 0.00 -0.16 0.00 0.00 57.16 58.06 2kre n GLU 1288Cb 0.13 -1.84 -0.02 0.00 1.43 0.00 0.00 31.44 31.15 2kre n GLU 1288CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2kre h GLN 1289N 0.00 0.57 0.27 3.44 -0.00 -1.82 -0.89 115.11 116.68 2kre h GLN 1289Ca 0.42 -0.12 0.01 0.00 -0.00 0.00 0.00 58.65 58.95 2kre h GLN 1289Cb 0.75 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.12 2kre h GLN 1289CO -0.77 0.59 -0.43 0.82 0.00 0.00 0.00 178.83 179.03 2kre h ILE 1290N 0.44 0.14 0.00 2.39 2.04 0.55 0.12 117.51 123.20 2kre h ILE 1290Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2kre h ILE 1290Cb 0.26 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2kre h ILE 1290CO -0.00 0.00 0.00 0.06 0.00 0.00 0.00 178.15 178.21 2kre h GLN 1291N -0.77 0.00 0.00 2.37 3.07 -0.88 -2.66 115.11 116.24 2kre h GLN 1291Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2kre h GLN 1291Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.29 2kre h GLN 1291CO -0.16 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.76 2kre n ALA 1292N -2.06 -0.16 -0.38 0.06 0.00 0.31 -0.25 120.51 118.02 2kre n ALA 1292Ca -0.03 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.71 2kre n ALA 1292Cb 0.09 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.12 2kre n ALA 1292CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2kre h TRP 1293N 0.00 0.57 0.00 0.00 7.01 -1.17 1.16 115.95 123.52 2kre h TRP 1293Ca 0.00 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.93 2kre h TRP 1293Cb 0.00 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 2kre h TRP 1293CO 0.07 -0.07 -0.62 0.00 -2.79 0.00 0.00 178.44 175.03 2kre h MET 1294N 0.23 0.00 -0.08 2.65 -0.00 -1.56 -3.31 114.93 112.86 2kre h MET 1294Ca 0.70 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 60.18 2kre h MET 1294Cb 2.06 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 33.66 2kre h MET 1294CO -0.35 0.36 -0.85 -0.09 -0.00 0.00 0.00 176.91 175.98 2kre h ARG 1295N 0.00 0.64 -0.35 -0.10 1.12 0.45 -3.03 114.38 113.11 2kre h ARG 1295Ca -0.03 -0.58 0.00 0.00 -1.11 0.00 0.00 59.98 58.26 2kre h ARG 1295Cb 1.34 0.14 0.00 0.00 -0.01 0.00 0.00 29.97 31.44 2kre h ARG 1295CO 0.05 1.19 0.00 -0.85 -3.11 0.00 0.00 179.97 177.25 2kre n GLU 1296N -3.87 0.56 0.00 0.20 0.28 -0.08 -1.90 120.64 115.83 2kre n GLU 1296Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 2kre n GLU 1296Cb 0.78 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.48 2kre n GLU 1296CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kre n LYS 1297N -0.05 3.08 -4.14 3.44 5.02 -1.15 -5.05 118.16 119.31 2kre n LYS 1297Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2kre n LYS 1297Cb 0.09 -0.67 -0.13 0.00 -0.02 0.00 0.00 35.03 34.30 2kre n LYS 1297CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2kre s GLN 1298N -1.20 0.49 0.00 1.97 -2.07 -0.80 -4.93 119.66 113.12 2kre s GLN 1298Ca 0.00 -0.41 0.00 0.00 -1.82 0.00 0.00 55.36 53.13 2kre s GLN 1298Cb 0.00 -0.40 0.00 0.00 -1.09 0.00 0.00 33.01 31.52 2kre s GLN 1298CO 0.00 0.10 0.00 0.27 -1.32 0.00 0.00 175.29 174.34 2kre n ASN 1299N 2.39 0.00 -3.94 12.60 2.04 -0.64 -4.82 115.26 122.89 2kre n ASN 1299Ca -0.17 0.00 -0.30 0.00 -0.44 0.00 0.00 54.58 53.67 2kre n ASN 1299Cb 0.57 0.00 0.22 0.00 -2.53 0.00 0.00 39.78 38.04 2kre n ASN 1299CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2kre s SER 1300N 0.00 1.84 -1.36 0.53 0.15 -1.26 -3.97 113.70 109.63 2kre s SER 1300Ca 0.00 0.47 -0.04 0.00 0.70 0.00 0.00 55.95 57.07 2kre s SER 1300Cb 0.00 -0.61 0.02 0.00 -1.71 0.00 0.00 66.02 63.72 2kre s SER 1300CO 0.00 -3.54 0.32 0.47 1.20 0.00 0.00 173.24 171.69 2kre n ASP 1301N -4.34 -4.73 0.00 5.45 9.92 -1.26 -4.95 116.55 116.64 2kre n ASP 1301Ca 0.14 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2kre n ASP 1301Cb 0.59 -3.91 0.00 0.00 -0.64 0.00 0.00 41.12 37.17 2kre n ASP 1301CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74