#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 0.18 -3.32 1.61 2.88 -1.26 -4.91 113.62 108.80 2kre n SER 1204Ca 0.00 0.08 -0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2kre n SER 1204Cb 0.00 0.98 -0.04 0.00 -0.75 0.00 0.00 64.21 64.41 2kre n SER 1204CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2kre s HIS 1205N -2.73 -1.35 -0.09 0.66 4.02 -1.26 -5.07 115.29 109.47 2kre s HIS 1205Ca -0.08 1.65 -0.07 0.00 1.02 0.00 0.00 55.06 57.58 2kre s HIS 1205Cb 0.08 0.49 -0.02 0.00 -1.02 0.00 0.00 32.58 32.10 2kre s HIS 1205CO 0.84 -0.78 -0.13 1.63 1.02 0.00 0.00 174.74 177.32 2kre n LYS 1206N 5.42 0.28 0.00 1.40 4.01 -1.20 -3.85 118.16 124.21 2kre n LYS 1206Ca -0.04 0.34 0.00 0.00 -0.51 0.00 0.00 58.31 58.10 2kre n LYS 1206Cb 0.50 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.79 2kre n LYS 1206CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2kre n PHE 1207N -3.64 0.00 -0.23 2.13 -0.00 -1.26 -3.01 117.46 111.45 2kre n PHE 1207Ca -0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.34 2kre n PHE 1207Cb 0.19 -0.22 -0.05 0.00 -0.00 0.00 0.00 39.48 39.40 2kre n PHE 1207CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2kre n ALA 1208N -1.54 -0.35 -2.43 3.13 0.00 -1.26 -4.50 120.51 113.57 2kre n ALA 1208Ca 0.00 0.46 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 2kre n ALA 1208Cb 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 2kre n ALA 1208CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kre s GLU 1209N -4.38 1.80 -0.48 0.00 0.41 -1.16 -5.09 118.70 109.79 2kre s GLU 1209Ca -0.06 -1.14 0.06 0.00 -0.41 0.00 0.00 54.97 53.42 2kre s GLU 1209Cb 0.06 -2.06 0.18 0.00 -1.78 0.00 0.00 34.13 30.53 2kre s GLU 1209CO 0.34 0.50 0.61 0.21 -0.49 0.00 0.00 175.26 176.43 2kre s LYS 1210N -1.70 1.01 0.00 1.61 2.20 -1.22 -3.25 119.74 118.39 2kre s LYS 1210Ca 0.15 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.44 2kre s LYS 1210Cb -0.10 -0.42 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 2kre s LYS 1210CO 0.06 -1.34 0.00 0.28 -0.36 0.00 0.00 175.35 173.99 2kre n VAL 1211N 2.99 0.00 -1.50 4.02 0.31 -1.26 -5.02 118.33 117.87 2kre n VAL 1211Ca 0.21 -0.02 -0.47 0.00 -0.01 0.00 0.00 64.34 64.05 2kre n VAL 1211Cb 0.54 0.39 -0.06 0.00 -0.91 0.00 0.00 33.84 33.79 2kre n VAL 1211CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2kre n GLU 1212N -1.05 1.33 -3.28 5.55 0.00 -1.26 -4.94 120.64 117.00 2kre n GLU 1212Ca 0.00 0.35 -0.21 0.00 0.00 0.00 0.00 57.16 57.30 2kre n GLU 1212Cb 0.00 -2.74 0.03 0.00 0.00 0.00 0.00 31.44 28.73 2kre n GLU 1212CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2kre s GLU 1213N 6.43 2.42 0.00 3.44 2.12 -1.26 -5.03 118.70 126.82 2kre s GLU 1213Ca 1.07 -1.63 0.00 0.00 0.36 0.00 0.00 54.97 54.77 2kre s GLU 1213Cb -0.67 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.20 2kre s GLU 1213CO 0.43 -0.61 0.00 1.51 -0.54 0.00 0.00 175.26 176.05 2kre n ILE 1214N -1.98 0.00 -1.70 -3.70 0.00 -1.26 -5.12 119.36 105.61 2kre n ILE 1214Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 62.75 62.41 2kre n ILE 1214Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 39.64 40.25 2kre n ILE 1214CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2kre n VAL 1215N -0.27 1.75 -2.18 9.51 0.31 -1.26 -4.24 118.33 121.95 2kre n VAL 1215Ca 0.00 -0.44 -0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2kre n VAL 1215Cb 0.00 -1.57 -0.00 0.00 -0.91 0.00 0.00 33.84 31.36 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 0.73 -1.37 -1.21 3.52 0.00 -1.26 -4.96 120.51 115.95 2kre n ALA 1216Ca 0.06 0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.73 2kre n ALA 1216Cb 0.35 -0.92 0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 1.98 0.55 -1.75 0.00 4.76 -1.26 -5.03 118.16 117.40 2kre n LYS 1217Ca -0.01 -1.04 -0.33 0.00 -2.87 0.00 0.00 58.31 54.05 2kre n LYS 1217Cb 0.02 -0.68 -0.04 0.00 -1.84 0.00 0.00 35.03 32.49 2kre n LYS 1217CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2kre s ASN 1218N -0.80 4.69 -0.29 4.39 0.02 -1.26 -4.85 114.94 116.84 2kre s ASN 1218Ca 0.04 0.58 -0.24 0.00 -1.02 0.00 0.00 52.86 52.21 2kre s ASN 1218Cb 0.03 -2.52 0.14 0.00 0.02 0.00 0.00 41.25 38.92 2kre s ASN 1218CO 0.00 -2.83 1.10 0.00 0.02 0.00 0.00 177.10 175.39 2kre s ALA 1219N 11.36 -2.05 0.00 0.60 0.00 -1.26 -5.06 121.76 125.34 2kre s ALA 1219Ca 0.85 1.88 0.00 0.00 0.00 0.00 0.00 51.96 54.69 2kre s ALA 1219Cb -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2kre s ALA 1219CO 0.20 -0.22 0.00 -2.13 0.00 0.00 0.00 175.76 173.61 2kre n ARG 1220N 2.27 0.38 -2.33 0.00 3.00 -1.26 -5.07 116.66 113.65 2kre n ARG 1220Ca -0.13 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.33 2kre n ARG 1220Cb 0.56 -0.74 -0.03 0.00 0.00 0.00 0.00 32.46 32.26 2kre n ARG 1220CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kre s ALA 1221N -1.47 3.33 0.00 5.13 0.00 -1.26 -4.91 121.76 122.58 2kre s ALA 1221Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2kre s ALA 1221Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2kre s ALA 1221CO 0.00 -0.41 0.00 -0.85 0.00 0.00 0.00 175.76 174.50 2kre n GLU 1222N 0.66 0.00 -3.59 0.00 0.00 -1.26 -4.80 120.64 111.64 2kre n GLU 1222Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.12 2kre n GLU 1222Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.87 2kre n GLU 1222CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2kre s ILE 1223N 0.00 0.00 0.70 3.84 1.01 -1.26 -5.13 121.20 120.36 2kre s ILE 1223Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 2kre s ILE 1223Cb 0.00 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.15 2kre s ILE 1223CO 0.00 0.00 -0.15 -0.90 0.00 0.00 0.00 174.94 173.89 2kre n ASP 1224N -0.28 -2.40 -2.06 3.58 5.75 -1.26 -2.74 116.55 117.14 2kre n ASP 1224Ca -0.05 -0.10 -0.09 0.00 -0.01 0.00 0.00 54.79 54.54 2kre n ASP 1224Cb 0.61 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 2kre n ASP 1224CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kre n TYR 1225N -3.43 -1.25 0.49 2.11 0.18 -1.26 -4.74 117.16 109.26 2kre n TYR 1225Ca 0.01 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.84 2kre n TYR 1225Cb 0.20 -2.17 0.27 0.00 -0.38 0.00 0.00 39.34 37.26 2kre n TYR 1225CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 2kre n SER 1226N -1.14 0.00 -3.54 9.48 7.64 -1.11 -4.43 113.62 120.53 2kre n SER 1226Ca -0.10 0.19 -0.08 0.00 1.01 0.00 0.00 58.87 59.89 2kre n SER 1226Cb 0.48 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.27 2kre n SER 1226CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kre s ASP 1227N -2.64 -0.13 1.08 6.43 -4.77 -1.26 -4.99 116.67 110.38 2kre s ASP 1227Ca 0.09 0.73 -0.15 0.00 -3.30 0.00 0.00 52.55 49.93 2kre s ASP 1227Cb 0.07 1.30 0.23 0.00 -1.09 0.00 0.00 42.92 43.43 2kre s ASP 1227CO 0.17 -0.26 1.10 0.00 0.70 0.00 0.00 175.17 176.89 2kre s ALA 1228N 2.60 0.80 -1.13 2.11 0.00 -1.26 -4.88 121.76 120.00 2kre s ALA 1228Ca 0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 2kre s ALA 1228Cb -0.13 -3.03 -0.13 0.00 0.00 0.00 0.00 23.12 19.83 2kre s ALA 1228CO -0.14 -3.13 3.14 -0.35 0.00 0.00 0.00 175.76 175.28 2kre n PRO 1229N -4.40 3.22 -4.36 0.00 -0.04 -1.26 -4.66 135.00 123.50 2kre n PRO 1229Ca 0.08 -1.89 -0.36 0.00 -0.04 0.00 0.00 63.50 61.29 2kre n PRO 1229Cb 0.58 -2.55 -0.09 0.00 -0.04 0.00 0.00 33.50 31.40 2kre n PRO 1229CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kre n ASP 1230N 3.16 -0.43 0.10 3.54 5.68 -1.26 -4.66 116.55 122.69 2kre n ASP 1230Ca 0.67 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 2kre n ASP 1230Cb 0.44 -1.55 0.00 0.00 -1.14 0.00 0.00 41.12 38.87 2kre n ASP 1230CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2kre n GLU 1231N -4.22 0.00 -0.13 0.11 4.07 -1.26 -4.86 120.64 114.35 2kre n GLU 1231Ca -0.10 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.98 2kre n GLU 1231Cb 0.56 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.95 2kre n GLU 1231CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2kre n PHE 1232N -3.17 0.25 -4.61 4.31 3.72 -1.26 -4.82 117.46 111.88 2kre n PHE 1232Ca 0.00 -0.64 -0.33 0.00 -0.05 0.00 0.00 57.45 56.43 2kre n PHE 1232Cb 0.00 -0.32 -0.12 0.00 -0.94 0.00 0.00 39.48 38.10 2kre n PHE 1232CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2kre s ARG 1233N -0.27 3.19 0.34 -1.08 1.70 -1.26 -2.96 118.95 118.61 2kre s ARG 1233Ca 0.05 -0.58 -0.28 0.00 -0.47 0.00 0.00 55.73 54.44 2kre s ARG 1233Cb 0.04 -2.69 -0.12 0.00 -0.57 0.00 0.00 34.95 31.61 2kre s ARG 1233CO 0.01 0.42 1.39 -3.47 -1.08 0.00 0.00 175.30 172.57 2kre n ASP 1234N 2.96 3.17 0.00 -2.89 -0.08 -0.47 -4.81 116.55 114.43 2kre n ASP 1234Ca -0.18 1.20 0.03 0.00 -1.51 0.00 0.00 54.79 54.34 2kre n ASP 1234Cb 0.53 -1.53 0.17 0.00 2.34 0.00 0.00 41.12 42.63 2kre n ASP 1234CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2kre n PRO 1235N 0.78 0.14 0.00 -0.67 -0.04 -1.26 -0.76 135.00 133.19 2kre n PRO 1235Ca 0.05 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2kre n PRO 1235Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2kre n PRO 1235CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kre n LEU 1236N -1.16 0.00 0.00 1.53 7.94 -1.26 -4.71 117.00 119.34 2kre n LEU 1236Ca 0.04 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.98 2kre n LEU 1236Cb 0.04 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.20 2kre n LEU 1236CO 0.04 0.00 0.59 0.23 -1.11 0.00 0.00 177.39 177.15 2kre n MET 1237N -0.92 0.09 -1.28 1.96 0.00 -1.26 -4.78 117.12 110.93 2kre n MET 1237Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 57.70 57.83 2kre n MET 1237Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.67 2kre n MET 1237CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2kre n ASP 1238N -1.34 -3.38 -4.90 7.83 5.75 0.06 -4.90 116.55 115.67 2kre n ASP 1238Ca 0.04 0.28 -0.27 0.00 -0.01 0.00 0.00 54.79 54.83 2kre n ASP 1238Cb 0.08 -3.05 -0.04 0.00 -1.03 0.00 0.00 41.12 37.08 2kre n ASP 1238CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2kre s THR 1239N -1.91 5.12 -0.07 2.12 2.01 -1.26 -4.58 115.64 117.07 2kre s THR 1239Ca 0.00 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 2kre s THR 1239Cb 0.00 -3.61 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 2kre s THR 1239CO 0.00 -0.06 2.07 -0.11 -0.69 0.00 0.00 174.62 175.83 2kre n LEU 1240N -0.35 3.74 -4.65 4.42 0.00 -1.26 -1.37 117.00 117.53 2kre n LEU 1240Ca -0.07 0.64 -0.43 0.00 0.00 0.00 0.00 56.01 56.15 2kre n LEU 1240Cb 0.54 -1.52 -0.02 0.00 0.00 0.00 0.00 43.42 42.41 2kre n LEU 1240CO 0.48 -0.16 1.11 -0.04 0.00 0.00 0.00 177.39 178.78 2kre s MET 1241N 5.17 4.14 0.31 1.96 -1.94 -1.15 -4.89 119.30 122.91 2kre s MET 1241Ca 0.94 1.58 0.17 0.00 -1.71 0.00 0.00 55.69 56.67 2kre s MET 1241Cb -0.43 -3.81 0.17 0.00 2.01 0.00 0.00 34.83 32.78 2kre s MET 1241CO 0.41 -0.83 1.50 1.79 -0.01 0.00 0.00 175.02 177.88 2kre h THR 1242N 5.63 0.72 -2.09 2.05 1.35 -1.93 -3.37 112.91 115.27 2kre h THR 1242Ca -0.27 -1.96 -0.57 0.00 -0.55 0.00 0.00 66.41 63.06 2kre h THR 1242Cb 1.11 2.31 -0.39 0.00 -1.73 0.00 0.00 68.15 69.45 2kre h THR 1242CO 0.99 0.40 -1.03 -0.90 -0.25 0.00 0.00 175.52 174.73 2kre n ASP 1243N -3.23 0.50 -4.65 5.36 5.75 -1.26 -5.02 116.55 114.00 2kre n ASP 1243Ca 0.02 -2.73 -0.42 0.00 -0.01 0.00 0.00 54.79 51.64 2kre n ASP 1243Cb 0.68 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 2kre n ASP 1243CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 2kre s PRO 1244N -1.16 3.97 0.05 0.11 0.02 -1.25 -1.30 135.00 135.45 2kre s PRO 1244Ca 0.35 2.50 0.05 0.00 0.02 0.00 0.00 61.00 63.93 2kre s PRO 1244Cb 0.15 -4.19 -0.02 0.00 0.02 0.00 0.00 34.50 30.45 2kre s PRO 1244CO -0.11 -1.15 -0.15 0.14 -0.33 0.00 0.00 177.00 175.40 2kre s VAL 1245N 5.10 1.20 -0.09 3.83 -7.23 0.00 -1.89 120.40 121.34 2kre s VAL 1245Ca 0.90 -1.14 -0.10 0.00 -1.81 0.00 0.00 61.98 59.83 2kre s VAL 1245Cb -0.41 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 2kre s VAL 1245CO 0.40 -0.05 0.24 -0.13 -0.31 0.00 0.00 175.10 175.25 2kre s ARG 1246N -1.36 3.69 0.08 4.82 0.52 0.14 -2.18 118.95 124.65 2kre s ARG 1246Ca 0.01 0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.29 2kre s ARG 1246Cb -0.09 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 2kre s ARG 1246CO 0.02 0.69 0.21 -0.51 0.02 0.00 0.00 175.30 175.73 2kre s LEU 1247N -0.87 4.32 0.45 2.53 2.01 0.13 -1.43 118.68 125.83 2kre s LEU 1247Ca 0.18 0.24 0.24 0.00 0.01 0.00 0.00 54.13 54.79 2kre s LEU 1247Cb -0.14 -2.92 1.25 0.00 0.01 0.00 0.00 46.19 44.39 2kre s LEU 1247CO 0.07 0.15 1.81 1.55 1.01 0.00 0.00 176.35 180.94 2kre h PRO 1248N 2.94 0.25 -0.14 1.29 0.13 -1.89 0.26 132.00 134.83 2kre h PRO 1248Ca -0.46 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2kre h PRO 1248Cb 1.17 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2kre h PRO 1248CO 0.74 0.16 0.06 0.66 -0.23 0.00 0.00 178.00 179.40 2kre h SER 1249N 0.26 0.17 0.00 1.44 4.64 -1.94 -3.46 113.55 114.65 2kre h SER 1249Ca 0.54 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2kre h SER 1249Cb 1.64 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2kre h SER 1249CO -0.17 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 2kre n GLY 1250N -1.43 0.97 3.36 -0.77 0.00 0.92 -5.12 105.19 103.13 2kre n GLY 1250Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.80 0.65 0.08 2.61 2.01 -1.22 -4.95 115.64 113.03 2kre s THR 1251Ca 0.00 -2.00 0.05 0.00 0.31 0.00 0.00 61.69 60.05 2kre s THR 1251Cb 0.00 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2kre s THR 1251CO 0.00 0.00 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.16 2kre s ILE 1252N -3.61 1.18 0.01 1.82 1.01 -1.26 -0.69 121.20 119.66 2kre s ILE 1252Ca 0.36 -1.42 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 2kre s ILE 1252Cb 0.07 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.35 2kre s ILE 1252CO 0.15 -0.27 0.07 1.15 0.00 0.00 0.00 174.94 176.03 2kre n MET 1253N 1.08 0.04 -3.40 2.79 0.00 -0.93 -4.39 117.12 112.31 2kre n MET 1253Ca -0.20 -0.09 -0.43 0.00 0.00 0.00 0.00 57.70 56.98 2kre n MET 1253Cb 0.55 0.12 -0.09 0.00 0.00 0.00 0.00 33.22 33.80 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 -1.16 6.14 0.51 3.17 -1.08 -1.26 -0.82 116.67 122.17 2kre s ASP 1254Ca 0.02 -1.01 0.08 0.00 -0.52 0.00 0.00 52.55 51.12 2kre s ASP 1254Cb -0.00 -2.18 0.26 0.00 -1.46 0.00 0.00 42.92 39.53 2kre s ASP 1254CO 0.00 -0.56 0.88 -1.14 0.52 0.00 0.00 175.17 174.87 2kre n ARG 1255N 5.29 0.02 0.04 4.34 0.00 -0.42 0.56 116.66 126.48 2kre n ARG 1255Ca -0.11 0.77 -0.02 0.00 -0.00 0.00 0.00 57.85 58.50 2kre n ARG 1255Cb 0.46 -2.03 -0.01 0.00 0.00 0.00 0.00 32.46 30.88 2kre n ARG 1255CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2kre h SER 1256N 0.00 -0.09 -0.18 6.15 4.64 -1.91 -0.24 113.55 121.92 2kre h SER 1256Ca 0.14 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.52 2kre h SER 1256Cb 1.85 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 2kre h SER 1256CO -0.00 -0.00 1.02 0.40 -0.87 0.00 0.00 176.83 177.38 2kre h ILE 1257N -0.23 0.00 0.00 0.95 1.08 -0.30 4.38 117.51 123.39 2kre h ILE 1257Ca -0.01 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.17 2kre h ILE 1257Cb 0.08 0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 33.80 2kre h ILE 1257CO 0.02 0.00 -1.78 -0.38 -0.69 0.00 0.00 178.15 175.32 2kre n ILE 1258N -2.65 1.51 -0.15 -0.67 2.08 -0.96 -2.91 119.36 115.61 2kre n ILE 1258Ca 0.04 -0.79 -0.02 0.00 0.56 0.00 0.00 62.75 62.54 2kre n ILE 1258Cb 1.08 -0.90 0.06 0.00 -0.75 0.00 0.00 39.64 39.12 2kre n ILE 1258CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2kre h LEU 1259N 0.00 -0.10 0.04 1.39 7.12 1.05 -2.31 115.31 122.50 2kre h LEU 1259Ca -0.31 0.10 -0.27 0.00 0.13 0.00 0.00 57.88 57.53 2kre h LEU 1259Cb 1.99 0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 42.25 2kre h LEU 1259CO 0.07 -0.02 -1.42 0.08 -0.13 0.00 0.00 178.44 177.02 2kre h ARG 1260N 0.18 0.08 -0.84 1.25 0.11 -1.72 -3.30 114.38 110.13 2kre h ARG 1260Ca 0.25 -0.13 0.09 0.00 0.10 0.00 0.00 59.98 60.28 2kre h ARG 1260Cb 0.35 0.05 -0.12 0.00 1.11 0.00 0.00 29.97 31.36 2kre h ARG 1260CO -0.36 0.86 -0.55 1.25 0.10 0.00 0.00 179.97 181.27 2kre h HIS 1261N 0.02 -1.71 -0.67 4.08 2.76 -1.29 0.26 115.15 118.59 2kre h HIS 1261Ca -0.18 0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 2kre h HIS 1261Cb 1.93 0.86 -0.03 0.00 1.55 0.00 0.00 27.41 31.72 2kre h HIS 1261CO 0.02 -0.40 0.35 1.37 -1.30 0.00 0.00 177.93 177.97 2kre h LEU 1262N -0.10 0.86 0.00 0.26 8.10 -1.61 0.43 115.31 123.24 2kre h LEU 1262Ca 0.17 -0.11 0.00 0.00 0.11 0.00 0.00 57.88 58.05 2kre h LEU 1262Cb 0.48 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 2kre h LEU 1262CO -0.86 0.72 0.17 -0.11 -4.11 0.00 0.00 178.44 174.26 2kre n LEU 1263N -4.49 0.00 -0.87 0.17 7.94 0.88 -1.14 117.00 119.49 2kre n LEU 1263Ca 0.05 0.12 -0.05 0.00 -1.11 0.00 0.00 56.01 55.02 2kre n LEU 1263Cb 0.10 -0.12 -0.05 0.00 0.53 0.00 0.00 43.42 43.88 2kre n LEU 1263CO 0.38 -0.12 0.27 -0.46 -1.11 0.00 0.00 177.39 176.35 2kre n ASN 1264N -0.99 -0.75 0.00 1.96 0.23 -0.62 -5.04 115.26 110.05 2kre n ASN 1264Ca 0.00 -1.53 0.00 0.00 -0.53 0.00 0.00 54.58 52.52 2kre n ASN 1264Cb 0.17 0.22 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 2kre n ASN 1264CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2kre n SER 1265N 0.00 0.00 -2.41 0.53 7.64 0.14 -5.02 113.62 114.50 2kre n SER 1265Ca -0.21 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.64 2kre n SER 1265Cb 0.59 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 2kre n SER 1265CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2kre n PRO 1266N 0.00 0.50 -3.50 1.43 -0.02 -1.23 -3.92 135.00 128.26 2kre n PRO 1266Ca 0.00 -0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 60.92 2kre n PRO 1266Cb 0.00 -1.65 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 2kre n PRO 1266CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2kre s THR 1267N 2.61 0.19 0.11 3.45 -4.23 -1.25 -3.43 115.64 113.09 2kre s THR 1267Ca 0.16 -1.55 -0.06 0.00 -1.18 0.00 0.00 61.69 59.06 2kre s THR 1267Cb 0.08 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 2kre s THR 1267CO -0.00 -0.92 0.03 -0.67 -0.54 0.00 0.00 174.62 172.51 2kre n ASP 1268N 4.29 -0.76 0.11 3.99 2.03 0.58 -4.47 116.55 122.31 2kre n ASP 1268Ca 0.08 0.22 0.02 0.00 0.52 0.00 0.00 54.79 55.63 2kre n ASP 1268Cb 0.38 -0.24 -0.00 0.00 -0.72 0.00 0.00 41.12 40.54 2kre n ASP 1268CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kre h PRO 1269N 0.09 0.00 -5.06 -0.67 0.13 -1.94 -3.27 132.00 121.28 2kre h PRO 1269Ca -0.10 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.41 2kre h PRO 1269Cb 0.39 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.37 2kre h PRO 1269CO 0.13 0.43 -0.50 -0.06 -0.23 0.00 0.00 178.00 177.76 2kre s PHE 1270N -2.96 3.30 0.00 1.56 0.08 -1.26 -4.27 117.98 114.43 2kre s PHE 1270Ca 0.02 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.28 2kre s PHE 1270Cb 0.08 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 2kre s PHE 1270CO 0.76 0.03 0.00 0.09 -0.10 0.00 0.00 175.22 176.00 2kre n ASN 1271N 4.41 -1.92 -1.83 1.36 3.02 -1.26 -4.44 115.26 114.59 2kre n ASN 1271Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2kre n ASN 1271Cb 0.52 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 37.03 2kre n ASN 1271CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kre n ARG 1272N -1.09 -3.36 -3.64 3.52 1.85 -1.24 -5.06 116.66 107.65 2kre n ARG 1272Ca 0.00 2.38 -0.06 0.00 -1.00 0.00 0.00 57.85 59.17 2kre n ARG 1272Cb 0.15 -2.80 -0.07 0.00 -1.05 0.00 0.00 32.46 28.70 2kre n ARG 1272CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2kre s GLN 1273N -0.79 0.61 0.23 2.89 2.00 -1.23 -4.85 119.66 118.51 2kre s GLN 1273Ca 0.00 0.99 0.00 0.00 -2.00 0.00 0.00 55.36 54.35 2kre s GLN 1273Cb 0.00 0.15 0.00 0.00 0.80 0.00 0.00 33.01 33.96 2kre s GLN 1273CO 0.00 -0.12 0.61 2.41 -0.50 0.00 0.00 175.29 177.69 2kre n THR 1274N 3.85 0.00 -2.29 -0.34 -1.04 -1.25 0.21 114.28 113.43 2kre n THR 1274Ca -0.19 0.61 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 2kre n THR 1274Cb 0.58 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 2kre n THR 1274CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2kre n LEU 1275N -1.41 -6.24 -4.17 -4.42 -0.00 -1.22 -3.92 117.00 95.61 2kre n LEU 1275Ca 0.00 2.92 -0.29 0.00 -0.00 0.00 0.00 56.01 58.64 2kre n LEU 1275Cb 0.61 -3.18 -0.16 0.00 -0.00 0.00 0.00 43.42 40.68 2kre n LEU 1275CO 0.00 -2.62 -0.53 0.28 -0.00 0.00 0.00 177.39 174.53 2kre s THR 1276N -0.56 1.71 -2.11 1.96 -1.32 -1.26 -4.86 115.64 109.20 2kre s THR 1276Ca 0.00 -0.85 0.15 0.00 -1.21 0.00 0.00 61.69 59.78 2kre s THR 1276Cb 0.00 -1.48 0.37 0.00 -1.51 0.00 0.00 72.50 69.89 2kre s THR 1276CO 0.00 0.48 1.38 1.21 -2.21 0.00 0.00 174.62 175.48 2kre n GLU 1277N 3.31 1.76 0.00 7.08 2.13 -1.26 -3.43 120.64 130.23 2kre n GLU 1277Ca -0.19 -1.17 0.00 0.00 0.66 0.00 0.00 57.16 56.46 2kre n GLU 1277Cb 0.52 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.91 2kre n GLU 1277CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kre n SER 1278N 0.42 0.47 -0.00 4.31 2.88 -1.26 -4.67 113.62 115.77 2kre n SER 1278Ca 0.13 -0.74 0.04 0.00 -1.33 0.00 0.00 58.87 56.97 2kre n SER 1278Cb 0.30 0.43 -0.05 0.00 -0.75 0.00 0.00 64.21 64.15 2kre n SER 1278CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2kre n MET 1279N -0.43 3.18 -2.08 -1.46 2.81 -1.24 -5.02 117.12 112.88 2kre n MET 1279Ca 0.00 -0.02 -0.31 0.00 -1.81 0.00 0.00 57.70 55.56 2kre n MET 1279Cb 0.01 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 2kre n MET 1279CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 2kre s LEU 1280N -2.73 3.36 -0.04 4.03 0.05 -1.22 -4.55 118.68 117.59 2kre s LEU 1280Ca 0.01 1.37 0.05 0.00 0.05 0.00 0.00 54.13 55.61 2kre s LEU 1280Cb 0.05 -4.39 -0.01 0.00 -2.05 0.00 0.00 46.19 39.80 2kre s LEU 1280CO 0.31 -0.77 -0.19 -1.61 -0.55 0.00 0.00 176.35 173.54 2kre s GLU 1281N -4.90 1.81 0.59 1.48 2.02 -0.51 -4.96 118.70 114.22 2kre s GLU 1281Ca 0.55 -0.67 -0.16 0.00 0.02 0.00 0.00 54.97 54.71 2kre s GLU 1281Cb -0.11 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 2kre s GLU 1281CO 0.48 0.31 1.06 -1.25 0.02 0.00 0.00 175.26 175.88 2kre s PRO 1282N -0.13 3.32 -0.29 0.39 0.04 -1.26 0.24 135.00 137.31 2kre s PRO 1282Ca -0.00 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.24 2kre s PRO 1282Cb -0.11 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.46 2kre s PRO 1282CO 0.01 -0.81 -0.04 0.08 0.04 0.00 0.00 177.00 176.29 2kre s VAL 1283N -2.47 2.49 -0.07 -0.36 1.01 -0.79 -4.80 120.40 115.42 2kre s VAL 1283Ca 0.63 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 2kre s VAL 1283Cb -0.16 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2kre s VAL 1283CO 0.37 -0.15 0.07 1.55 0.00 0.00 0.00 175.10 176.94 2kre h PRO 1284N 7.84 -0.05 -1.34 2.72 0.13 -1.97 -3.24 132.00 136.09 2kre h PRO 1284Ca -0.18 0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.35 2kre h PRO 1284Cb 1.04 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 2kre h PRO 1284CO 0.50 -0.03 0.98 -0.85 -0.23 0.00 0.00 178.00 178.36 2kre n GLU 1285N -4.09 0.00 -0.02 0.86 0.28 -1.26 0.25 120.64 116.66 2kre n GLU 1285Ca -0.01 0.74 -0.12 0.00 -0.16 0.00 0.00 57.16 57.62 2kre n GLU 1285Cb 0.02 -1.72 -0.10 0.00 1.43 0.00 0.00 31.44 31.08 2kre n GLU 1285CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2kre h LEU 1286N 0.00 -0.05 0.00 -1.84 7.12 -1.97 -3.10 115.31 115.47 2kre h LEU 1286Ca 0.64 -0.62 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2kre h LEU 1286Cb 2.58 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 42.72 2kre h LEU 1286CO -0.01 0.67 0.00 1.17 -0.13 0.00 0.00 178.44 180.15 2kre n LYS 1287N -4.76 0.00 -0.19 1.25 4.81 0.68 0.10 118.16 120.05 2kre n LYS 1287Ca -0.08 0.20 -0.02 0.00 -0.87 0.00 0.00 58.31 57.54 2kre n LYS 1287Cb 0.33 -0.97 -0.00 0.00 0.02 0.00 0.00 35.03 34.40 2kre n LYS 1287CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kre n GLU 1288N -0.67 -0.15 -0.14 1.64 1.02 -1.07 0.41 120.64 121.68 2kre n GLU 1288Ca 0.00 0.74 -0.03 0.00 -0.02 0.00 0.00 57.16 57.84 2kre n GLU 1288Cb 0.00 -1.09 0.05 0.00 -0.02 0.00 0.00 31.44 30.38 2kre n GLU 1288CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2kre h GLN 1289N 0.00 0.18 0.82 3.49 -0.00 -1.41 0.21 115.11 118.39 2kre h GLN 1289Ca 0.14 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.74 2kre h GLN 1289Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.70 2kre h GLN 1289CO -0.47 0.12 -0.45 0.82 0.00 0.00 0.00 178.83 178.85 2kre h ILE 1290N 0.18 0.09 -0.04 2.39 2.04 1.53 -1.58 117.51 122.13 2kre h ILE 1290Ca 0.22 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.09 2kre h ILE 1290Cb 0.30 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2kre h ILE 1290CO -0.32 0.00 0.36 1.56 0.00 0.00 0.00 178.15 179.75 2kre h GLN 1291N -1.17 0.00 0.00 2.37 1.08 0.43 -2.62 115.11 115.20 2kre h GLN 1291Ca -0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2kre h GLN 1291Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2kre h GLN 1291CO 0.14 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.02 2kre n ALA 1292N -1.92 0.00 -0.25 3.87 0.00 0.68 -1.68 120.51 121.20 2kre n ALA 1292Ca -0.01 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.68 2kre n ALA 1292Cb 0.41 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.33 2kre n ALA 1292CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2kre n TRP 1293N -0.47 0.91 0.05 0.00 -0.00 -0.93 0.33 117.44 117.33 2kre n TRP 1293Ca 0.00 0.94 -0.12 0.00 -0.00 0.00 0.00 57.50 58.31 2kre n TRP 1293Cb 0.00 -1.35 -0.02 0.00 -0.00 0.00 0.00 31.31 29.95 2kre n TRP 1293CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2kre h MET 1294N 0.00 0.45 -0.25 5.87 -0.00 -1.62 -3.28 114.93 116.11 2kre h MET 1294Ca 0.67 -0.42 0.02 0.00 -0.00 0.00 0.00 59.70 59.97 2kre h MET 1294Cb 1.76 0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 33.44 2kre h MET 1294CO -0.61 1.06 0.11 0.00 -0.00 0.00 0.00 176.91 177.47 2kre h ARG 1295N 0.28 0.24 0.00 -0.10 3.08 0.62 0.13 114.38 118.63 2kre h ARG 1295Ca -0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2kre h ARG 1295Cb 1.44 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2kre h ARG 1295CO 0.15 0.16 0.00 -0.85 -1.07 0.00 0.00 179.97 178.36 2kre n GLU 1296N -4.99 0.00 -0.01 0.04 0.28 -0.69 -0.56 120.64 114.71 2kre n GLU 1296Ca -0.02 0.09 0.01 0.00 -0.16 0.00 0.00 57.16 57.08 2kre n GLU 1296Cb 0.07 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.41 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 -1.07 1.22 -3.85 3.44 5.02 -0.13 -5.07 118.16 117.71 2kre n LYS 1297Ca 0.00 -0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 2kre n LYS 1297Cb 0.00 -1.08 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.17 1.00 -0.26 1.97 1.03 0.27 -4.88 119.66 116.62 2kre s GLN 1298Ca -0.01 -0.99 0.17 0.00 0.04 0.00 0.00 55.36 54.56 2kre s GLN 1298Cb 0.02 0.38 0.41 0.00 0.03 0.00 0.00 33.01 33.85 2kre s GLN 1298CO 0.13 -0.35 1.31 0.27 -2.54 0.00 0.00 175.29 174.11 2kre n ASN 1299N -0.15 -0.11 -1.50 12.60 6.94 -1.26 -4.25 115.26 127.53 2kre n ASN 1299Ca -0.12 -2.11 0.00 0.00 -0.02 0.00 0.00 54.58 52.32 2kre n ASN 1299Cb 0.63 0.15 0.00 0.00 -2.36 0.00 0.00 39.78 38.19 2kre n ASN 1299CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2kre n SER 1300N -0.92 0.00 -3.72 0.53 7.64 -1.26 -4.95 113.62 110.94 2kre n SER 1300Ca -0.08 -0.34 -0.12 0.00 1.01 0.00 0.00 58.87 59.34 2kre n SER 1300Cb 0.85 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.95 2kre n SER 1300CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kre s ASP 1301N -1.00 -0.47 0.00 6.43 -1.08 -1.26 -5.21 116.67 114.08 2kre s ASP 1301Ca 0.00 0.88 0.00 0.00 -0.52 0.00 0.00 52.55 52.91 2kre s ASP 1301Cb 0.00 0.85 0.00 0.00 -1.46 0.00 0.00 42.92 42.31 2kre s ASP 1301CO 0.00 -0.16 0.00 0.00 0.52 0.00 0.00 175.17 175.53