#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 -0.06 -1.82 1.61 7.64 -1.26 -4.05 113.62 115.68 2kre n SER 1204Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 2kre n SER 1204Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 2kre n SER 1204CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kre n HIS 1205N -0.02 2.32 0.00 1.43 -0.00 -1.26 -4.91 115.22 112.78 2kre n HIS 1205Ca 0.00 -2.22 0.00 0.00 -0.00 0.00 0.00 57.72 55.50 2kre n HIS 1205Cb 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 29.99 29.31 2kre n HIS 1205CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2kre n LYS 1206N -0.91 0.00 -1.58 -1.40 2.85 -1.26 -4.34 118.16 111.53 2kre n LYS 1206Ca 0.45 0.00 -0.45 0.00 -1.05 0.00 0.00 58.31 57.26 2kre n LYS 1206Cb 0.93 -0.16 -0.04 0.00 -0.65 0.00 0.00 35.03 35.11 2kre n LYS 1206CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2kre n PHE 1207N 0.00 1.99 0.00 5.58 3.72 -1.26 -4.72 117.46 122.76 2kre n PHE 1207Ca 0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2kre n PHE 1207Cb 0.00 -2.69 0.00 0.00 -0.94 0.00 0.00 39.48 35.85 2kre n PHE 1207CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kre n ALA 1208N 10.44 2.34 -0.49 4.37 0.00 -1.26 -5.09 120.51 130.82 2kre n ALA 1208Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2kre n ALA 1208Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.51 0.00 -2.35 0.00 -0.58 -1.26 -4.70 120.64 110.23 2kre n GLU 1209Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 2kre n GLU 1209Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 2kre n GLU 1209CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2kre n LYS 1210N 14.00 1.83 -1.21 3.49 0.00 -1.26 -5.10 118.16 129.91 2kre n LYS 1210Ca 0.00 -0.49 -0.37 0.00 -0.00 0.00 0.00 58.31 57.45 2kre n LYS 1210Cb 0.00 0.13 0.05 0.00 -0.00 0.00 0.00 35.03 35.21 2kre n LYS 1210CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2kre n VAL 1211N -0.17 0.93 -2.27 0.58 0.24 -1.26 -4.84 118.33 111.54 2kre n VAL 1211Ca -0.03 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 2kre n VAL 1211Cb 0.09 -0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 32.03 2kre n VAL 1211CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kre s GLU 1212N -2.12 4.34 0.12 7.34 2.56 -1.26 -4.99 118.70 124.68 2kre s GLU 1212Ca 0.58 1.94 -0.01 0.00 0.00 0.00 0.00 54.97 57.48 2kre s GLU 1212Cb -0.36 -3.40 0.01 0.00 2.00 0.00 0.00 34.13 32.37 2kre s GLU 1212CO 0.65 -0.44 0.18 -1.91 -0.56 0.00 0.00 175.26 173.17 2kre n GLU 1213N 4.49 0.25 -1.52 4.30 2.13 -1.26 -5.07 120.64 123.97 2kre n GLU 1213Ca 0.11 -0.87 -0.37 0.00 0.66 0.00 0.00 57.16 56.69 2kre n GLU 1213Cb 0.44 0.88 -0.11 0.00 0.27 0.00 0.00 31.44 32.91 2kre n GLU 1213CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 2kre n ILE 1214N -0.18 -0.03 0.00 6.31 3.06 -1.26 -4.86 119.36 122.39 2kre n ILE 1214Ca -0.00 -0.32 0.00 0.00 -2.50 0.00 0.00 62.75 59.93 2kre n ILE 1214Cb 0.19 -1.29 0.00 0.00 0.54 0.00 0.00 39.64 39.08 2kre n ILE 1214CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 2kre n VAL 1215N 7.59 0.00 0.00 9.51 0.31 -1.26 -4.60 118.33 129.88 2kre n VAL 1215Ca 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.89 2kre n VAL 1215Cb 0.22 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 -3.00 0.00 -3.70 3.52 0.00 -1.26 -4.58 120.51 111.49 2kre n ALA 1216Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2kre n ALA 1216Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2kre n ALA 1216CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kre s LYS 1217N 0.00 0.62 0.00 0.00 2.20 -1.26 -4.75 119.74 116.55 2kre s LYS 1217Ca 0.00 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 2kre s LYS 1217Cb 0.00 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 2kre s LYS 1217CO 0.00 -0.94 0.00 0.09 -0.36 0.00 0.00 175.35 174.14 2kre n ASN 1218N 4.95 3.94 -4.19 1.43 4.13 -1.26 -5.04 115.26 119.22 2kre n ASN 1218Ca -0.04 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.91 2kre n ASN 1218Cb 0.43 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.50 2kre n ASN 1218CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kre s ALA 1219N -1.00 2.03 0.00 5.41 0.00 -1.26 -4.63 121.76 122.31 2kre s ALA 1219Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2kre s ALA 1219Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2kre s ALA 1219CO 0.00 0.27 0.00 -2.13 0.00 0.00 0.00 175.76 173.90 2kre n ARG 1220N 3.55 0.00 0.00 0.00 0.00 -1.26 -4.28 116.66 114.67 2kre n ARG 1220Ca -0.20 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.70 2kre n ARG 1220Cb 0.53 -0.59 0.28 0.00 0.00 0.00 0.00 32.46 32.68 2kre n ARG 1220CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kre n ALA 1221N 0.00 2.48 -1.00 5.13 0.00 -1.26 -4.59 120.51 121.27 2kre n ALA 1221Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kre n ALA 1221Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.66 0.00 -4.14 0.00 4.71 -1.26 -4.61 120.64 114.68 2kre n GLU 1222Ca 0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.10 2kre n GLU 1222Cb 0.03 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.36 2kre n GLU 1222CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2kre s ILE 1223N 0.00 0.69 0.26 -3.67 1.01 -1.26 -4.42 121.20 113.81 2kre s ILE 1223Ca 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 60.65 58.96 2kre s ILE 1223Cb 0.00 -1.35 0.27 0.00 0.01 0.00 0.00 42.46 41.39 2kre s ILE 1223CO 0.00 -0.70 1.67 -2.24 0.00 0.00 0.00 174.94 173.67 2kre h ASP 1224N 3.46 -0.03 0.00 3.58 2.03 -1.93 0.78 116.42 124.32 2kre h ASP 1224Ca -0.36 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 2kre h ASP 1224Cb 1.18 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 2kre h ASP 1224CO 0.57 -0.09 0.00 0.00 -1.03 0.00 0.00 179.24 178.69 2kre n TYR 1225N -5.20 0.00 -0.06 4.15 0.18 -1.26 -3.86 117.16 111.11 2kre n TYR 1225Ca 0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.94 2kre n TYR 1225Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 2kre n TYR 1225CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2kre n SER 1226N -0.98 1.02 -2.69 9.48 2.88 0.27 -2.96 113.62 120.64 2kre n SER 1226Ca 0.06 -1.18 -0.06 0.00 -1.33 0.00 0.00 58.87 56.37 2kre n SER 1226Cb 0.03 -0.21 0.10 0.00 -0.75 0.00 0.00 64.21 63.38 2kre n SER 1226CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kre n ASP 1227N 1.78 -1.69 -4.69 -3.46 -0.08 -1.25 -5.01 116.55 102.15 2kre n ASP 1227Ca 0.00 -2.61 -0.32 0.00 -1.51 0.00 0.00 54.79 50.36 2kre n ASP 1227Cb 0.10 1.45 0.14 0.00 2.34 0.00 0.00 41.12 45.16 2kre n ASP 1227CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kre s ALA 1228N 0.14 1.68 0.54 -1.67 0.00 -1.15 -5.01 121.76 116.28 2kre s ALA 1228Ca 0.20 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2kre s ALA 1228Cb 0.29 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2kre s ALA 1228CO -0.13 -2.49 0.00 -0.35 0.00 0.00 0.00 175.76 172.79 2kre n PRO 1229N -3.86 2.84 -1.57 0.00 -0.04 -1.26 -4.80 135.00 126.31 2kre n PRO 1229Ca 0.12 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.26 2kre n PRO 1229Cb 0.52 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.04 2kre n PRO 1229CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kre n ASP 1230N 0.00 6.95 -0.01 3.54 8.00 -1.26 -4.42 116.55 129.35 2kre n ASP 1230Ca 0.00 -3.78 -0.01 0.00 0.71 0.00 0.00 54.79 51.71 2kre n ASP 1230Cb 0.00 -0.82 -0.01 0.00 -0.02 0.00 0.00 41.12 40.28 2kre n ASP 1230CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kre n GLU 1231N -0.83 0.09 -0.75 -1.24 -0.58 -1.26 -4.67 120.64 111.40 2kre n GLU 1231Ca 0.57 0.01 0.07 0.00 -0.42 0.00 0.00 57.16 57.39 2kre n GLU 1231Cb 0.71 -1.03 0.37 0.00 -0.57 0.00 0.00 31.44 30.91 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 -2.54 1.76 -4.97 -0.32 3.72 -1.26 -4.88 117.46 108.97 2kre n PHE 1232Ca -0.03 -0.64 -0.32 0.00 -0.05 0.00 0.00 57.45 56.41 2kre n PHE 1232Cb 0.53 -0.40 -0.15 0.00 -0.94 0.00 0.00 39.48 38.52 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 -2.36 3.21 0.30 -1.08 1.81 -1.26 -2.86 118.95 116.72 2kre s ARG 1233Ca 0.50 -0.77 -0.29 0.00 -1.72 0.00 0.00 55.73 53.45 2kre s ARG 1233Cb 0.36 -2.48 -0.13 0.00 -0.45 0.00 0.00 34.95 32.25 2kre s ARG 1233CO 0.18 0.22 1.22 -3.47 -0.68 0.00 0.00 175.30 172.76 2kre n ASP 1234N 3.47 2.25 -0.43 0.23 -0.08 -1.21 -4.78 116.55 116.00 2kre n ASP 1234Ca -0.18 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 2kre n ASP 1234Cb 0.53 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.58 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 0.87 0.91 0.00 -0.67 -0.04 -1.26 -1.30 135.00 133.51 2kre n PRO 1235Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2kre n PRO 1235Cb 0.34 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2kre n PRO 1235CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2kre n LEU 1236N -0.03 0.80 0.00 1.53 -0.00 -1.26 -4.88 117.00 113.15 2kre n LEU 1236Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2kre n LEU 1236Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2kre n LEU 1236CO 0.00 0.13 -0.09 1.15 -0.00 0.00 0.00 177.39 178.59 2kre n MET 1237N -1.69 5.37 -3.38 1.47 3.85 -1.23 -5.04 117.12 116.47 2kre n MET 1237Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.70 56.53 2kre n MET 1237Cb 0.29 -0.56 0.08 0.00 -1.05 0.00 0.00 33.22 31.99 2kre n MET 1237CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2kre n ASP 1238N -1.01 -2.62 -3.77 3.17 8.00 -0.42 -4.97 116.55 114.93 2kre n ASP 1238Ca 0.00 -0.58 -0.14 0.00 0.71 0.00 0.00 54.79 54.79 2kre n ASP 1238Cb 0.00 -4.86 -0.15 0.00 -0.02 0.00 0.00 41.12 36.09 2kre n ASP 1238CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2kre s THR 1239N -3.33 -0.05 -0.47 -3.53 2.01 -1.26 -4.85 115.64 104.16 2kre s THR 1239Ca 0.08 0.17 -0.32 0.00 0.31 0.00 0.00 61.69 61.93 2kre s THR 1239Cb -0.03 -0.16 -0.15 0.00 0.01 0.00 0.00 72.50 72.17 2kre s THR 1239CO 0.69 0.07 1.75 -0.11 -0.69 0.00 0.00 174.62 176.33 2kre n LEU 1240N 4.02 0.51 -4.69 4.42 7.94 -1.26 -3.33 117.00 124.61 2kre n LEU 1240Ca -0.25 0.45 -0.42 0.00 -1.11 0.00 0.00 56.01 54.68 2kre n LEU 1240Cb 0.52 -0.70 -0.03 0.00 0.53 0.00 0.00 43.42 43.74 2kre n LEU 1240CO 0.20 -0.59 1.41 -0.04 -1.11 0.00 0.00 177.39 177.26 2kre s MET 1241N 5.13 4.16 0.00 1.96 -1.94 -1.13 -4.86 119.30 122.62 2kre s MET 1241Ca 0.96 2.50 0.28 0.00 -1.71 0.00 0.00 55.69 57.71 2kre s MET 1241Cb -1.12 -3.54 0.98 0.00 2.01 0.00 0.00 34.83 33.15 2kre s MET 1241CO 0.48 -0.79 1.74 -2.37 -0.01 0.00 0.00 175.02 174.07 2kre n THR 1242N 4.65 0.00 -2.75 2.05 5.66 -1.26 -4.48 114.28 118.15 2kre n THR 1242Ca 0.17 -0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.12 2kre n THR 1242Cb 0.39 -0.20 0.02 0.00 -1.55 0.00 0.00 70.33 68.98 2kre n THR 1242CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2kre n ASP 1243N -1.46 -3.13 -4.68 1.09 5.75 -1.26 -5.06 116.55 107.79 2kre n ASP 1243Ca 0.07 -2.82 -0.42 0.00 -0.01 0.00 0.00 54.79 51.61 2kre n ASP 1243Cb 0.33 1.67 -0.03 0.00 -1.03 0.00 0.00 41.12 42.06 2kre n ASP 1243CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2kre s PRO 1244N 0.82 4.16 0.00 0.11 0.04 -1.25 -2.06 135.00 136.82 2kre s PRO 1244Ca 0.30 2.51 0.04 0.00 0.04 0.00 0.00 61.00 63.89 2kre s PRO 1244Cb 0.07 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 2kre s PRO 1244CO -0.10 -0.84 -0.14 0.14 0.04 0.00 0.00 177.00 176.10 2kre s VAL 1245N 3.20 1.09 -0.11 -0.36 -7.23 0.15 -2.40 120.40 114.73 2kre s VAL 1245Ca 0.80 -0.70 -0.16 0.00 -1.81 0.00 0.00 61.98 60.11 2kre s VAL 1245Cb -0.43 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.54 2kre s VAL 1245CO 0.36 0.22 0.40 -0.60 -0.31 0.00 0.00 175.10 175.17 2kre s ARG 1246N -0.55 4.23 0.30 4.82 3.52 -0.74 -2.23 118.95 128.30 2kre s ARG 1246Ca 0.04 0.32 0.10 0.00 -0.13 0.00 0.00 55.73 56.07 2kre s ARG 1246Cb -0.06 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 2kre s ARG 1246CO -0.00 0.28 -0.05 -0.48 -0.81 0.00 0.00 175.30 174.25 2kre s LEU 1247N 0.26 2.95 0.33 -0.88 -0.00 -1.03 -2.54 118.68 117.78 2kre s LEU 1247Ca 0.22 -0.88 0.24 0.00 -0.00 0.00 0.00 54.13 53.71 2kre s LEU 1247Cb -0.15 -1.41 1.14 0.00 -0.00 0.00 0.00 46.19 45.77 2kre s LEU 1247CO 0.09 -0.08 1.22 -2.65 -0.00 0.00 0.00 176.35 174.92 2kre n PRO 1248N -0.85 -0.03 0.03 1.48 -0.02 -1.26 0.31 135.00 134.66 2kre n PRO 1248Ca -0.05 1.00 0.03 0.00 -2.02 0.00 0.00 63.50 62.46 2kre n PRO 1248Cb 0.61 -1.93 0.16 0.00 -0.02 0.00 0.00 33.50 32.31 2kre n PRO 1248CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kre n SER 1249N -4.36 0.10 -0.06 2.55 2.88 -1.26 -4.79 113.62 108.69 2kre n SER 1249Ca 0.31 0.54 -0.01 0.00 -1.33 0.00 0.00 58.87 58.39 2kre n SER 1249Cb 1.18 -0.56 -0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2kre n SER 1249CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kre n GLY 1250N -1.13 0.47 4.03 0.46 0.00 0.93 -5.02 105.19 104.92 2kre n GLY 1250Ca 0.01 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.91 2.27 0.03 2.61 2.01 -1.23 -4.88 115.64 114.55 2kre s THR 1251Ca 0.00 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.05 2kre s THR 1251Cb 0.00 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2kre s THR 1251CO 0.00 0.00 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.13 2kre s ILE 1252N -2.62 1.33 0.26 1.82 -1.09 -1.26 -2.46 121.20 117.19 2kre s ILE 1252Ca 0.60 -1.00 -0.20 0.00 -2.23 0.00 0.00 60.65 57.82 2kre s ILE 1252Cb -0.06 -1.17 0.07 0.00 -1.58 0.00 0.00 42.46 39.72 2kre s ILE 1252CO 0.38 0.14 0.94 0.00 -1.23 0.00 0.00 174.94 175.17 2kre s MET 1253N -1.00 1.66 -0.49 2.79 0.23 -0.95 -4.49 119.30 117.06 2kre s MET 1253Ca 0.05 -1.06 -0.23 0.00 -1.03 0.00 0.00 55.69 53.41 2kre s MET 1253Cb -0.08 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.73 2kre s MET 1253CO 0.01 -0.78 0.82 0.34 -2.03 0.00 0.00 175.02 173.38 2kre s ASP 1254N -3.26 6.37 0.49 -1.18 -1.08 -1.26 0.34 116.67 117.10 2kre s ASP 1254Ca 0.19 -0.26 0.05 0.00 -0.52 0.00 0.00 52.55 52.01 2kre s ASP 1254Cb -0.04 -2.39 0.28 0.00 -1.46 0.00 0.00 42.92 39.31 2kre s ASP 1254CO 0.07 -1.01 1.04 0.08 0.52 0.00 0.00 175.17 175.88 2kre h ARG 1255N 9.08 0.00 0.01 4.34 -0.00 -1.76 1.10 114.38 127.16 2kre h ARG 1255Ca -0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.73 2kre h ARG 1255Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.05 2kre h ARG 1255CO 1.00 0.00 -0.00 0.77 -0.00 0.00 0.00 179.97 181.74 2kre h SER 1256N 0.00 -0.01 -0.86 0.08 0.02 -1.89 0.25 113.55 111.13 2kre h SER 1256Ca 0.00 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2kre h SER 1256Cb 1.47 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.98 2kre h SER 1256CO 0.00 0.35 0.44 0.40 -1.14 0.00 0.00 176.83 176.88 2kre h ILE 1257N -0.37 1.26 0.00 3.27 1.08 0.86 -0.99 117.51 122.61 2kre h ILE 1257Ca -0.00 -0.69 -0.05 0.00 -0.39 0.00 0.00 64.86 63.74 2kre h ILE 1257Cb 0.36 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 2kre h ILE 1257CO 0.00 0.30 -0.22 0.40 -0.69 0.00 0.00 178.15 177.94 2kre h ILE 1258N 1.22 0.76 0.27 -0.67 1.08 -1.34 -1.58 117.51 117.25 2kre h ILE 1258Ca 0.30 -0.90 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 2kre h ILE 1258Cb 0.08 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 2kre h ILE 1258CO -0.04 0.22 -0.47 0.25 -0.69 0.00 0.00 178.15 177.41 2kre h LEU 1259N 0.00 -1.36 0.04 1.44 6.46 0.91 -2.81 115.31 120.00 2kre h LEU 1259Ca -0.00 0.13 -0.23 0.00 -0.12 0.00 0.00 57.88 57.66 2kre h LEU 1259Cb 0.54 0.48 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 2kre h LEU 1259CO 0.03 -0.57 -1.08 0.08 -0.62 0.00 0.00 178.44 176.27 2kre h ARG 1260N -0.81 0.10 -0.92 1.25 0.11 -1.58 -3.35 114.38 109.18 2kre h ARG 1260Ca -0.02 -0.16 0.10 0.00 0.10 0.00 0.00 59.98 59.99 2kre h ARG 1260Cb 0.77 0.06 -0.12 0.00 1.11 0.00 0.00 29.97 31.79 2kre h ARG 1260CO -0.18 1.08 -0.55 1.25 0.10 0.00 0.00 179.97 181.67 2kre h HIS 1261N 0.03 -1.72 0.00 4.08 2.76 -1.11 2.23 115.15 121.42 2kre h HIS 1261Ca -0.05 0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2kre h HIS 1261Cb 1.84 0.87 0.00 0.00 1.55 0.00 0.00 27.41 31.67 2kre h HIS 1261CO 0.02 -0.39 0.16 1.47 -1.30 0.00 0.00 177.93 177.89 2kre n LEU 1262N -5.31 0.46 0.17 0.26 -0.00 -1.07 -2.22 117.00 109.28 2kre n LEU 1262Ca 0.03 0.66 -0.07 0.00 -0.00 0.00 0.00 56.01 56.64 2kre n LEU 1262Cb 0.30 -0.67 -0.03 0.00 -0.00 0.00 0.00 43.42 43.01 2kre n LEU 1262CO -0.13 -0.82 0.51 0.25 -0.00 0.00 0.00 177.39 177.20 2kre h LEU 1263N 0.00 -0.38 -3.80 1.47 6.46 0.36 -3.31 115.31 116.10 2kre h LEU 1263Ca 0.00 0.01 -0.55 0.00 -0.12 0.00 0.00 57.88 57.23 2kre h LEU 1263Cb 0.31 0.10 -0.32 0.00 -0.73 0.00 0.00 40.66 40.02 2kre h LEU 1263CO 0.00 -0.26 0.02 -0.46 -0.62 0.00 0.00 178.44 177.12 2kre n ASN 1264N -3.19 5.63 0.00 1.25 2.04 -1.11 -4.77 115.26 115.11 2kre n ASN 1264Ca -0.05 -3.77 0.00 0.00 -0.44 0.00 0.00 54.58 50.32 2kre n ASN 1264Cb 0.17 -0.66 0.00 0.00 -2.53 0.00 0.00 39.78 36.76 2kre n ASN 1264CO 0.00 0.00 0.00 -0.24 -0.44 0.00 0.00 177.26 176.58 2kre n SER 1265N -0.87 0.00 -0.53 0.53 2.88 -0.94 -5.00 113.62 109.68 2kre n SER 1265Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2kre n SER 1265Cb 0.88 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 2kre n SER 1265CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2kre n PRO 1266N 0.00 0.01 -4.09 -1.46 -0.02 -1.25 -3.95 135.00 124.24 2kre n PRO 1266Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 2kre n PRO 1266Cb 0.00 -1.04 -0.17 0.00 -0.02 0.00 0.00 33.50 32.27 2kre n PRO 1266CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2kre s THR 1267N -0.87 1.28 0.29 3.45 -1.32 -1.26 -2.23 115.64 114.98 2kre s THR 1267Ca 0.00 -0.47 -0.08 0.00 -1.21 0.00 0.00 61.69 59.93 2kre s THR 1267Cb 0.00 -1.22 -0.07 0.00 -1.51 0.00 0.00 72.50 69.70 2kre s THR 1267CO 0.00 0.41 -0.14 -0.67 -2.21 0.00 0.00 174.62 172.00 2kre n ASP 1268N 4.66 -1.99 0.24 8.08 -0.08 0.13 -4.71 116.55 122.88 2kre n ASP 1268Ca -0.16 0.24 0.15 0.00 -1.51 0.00 0.00 54.79 53.51 2kre n ASP 1268Cb 0.50 -0.38 0.44 0.00 2.34 0.00 0.00 41.12 44.02 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 -0.13 0.00 0.00 -0.67 0.13 -1.91 -3.08 132.00 126.35 2kre h PRO 1269Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2kre h PRO 1269Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2kre h PRO 1269CO 0.17 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.13 2kre n PHE 1270N -3.05 0.00 0.00 1.56 3.72 -1.26 -4.66 117.46 113.77 2kre n PHE 1270Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2kre n PHE 1270Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.00 -0.46 4.37 0.23 -1.26 -4.69 115.26 113.45 2kre n ASN 1271Ca 0.00 0.13 -0.05 0.00 -0.53 0.00 0.00 54.58 54.13 2kre n ASN 1271Cb 0.00 -0.13 -0.02 0.00 -2.08 0.00 0.00 39.78 37.55 2kre n ASN 1271CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kre n ARG 1272N -1.04 -1.78 -2.03 -3.83 1.74 -1.16 -4.88 116.66 103.67 2kre n ARG 1272Ca 0.00 0.52 -0.39 0.00 -0.77 0.00 0.00 57.85 57.21 2kre n ARG 1272Cb 0.05 -4.56 0.00 0.00 -1.02 0.00 0.00 32.46 26.93 2kre n ARG 1272CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2kre s GLN 1273N -2.01 3.80 -0.41 5.56 0.74 -1.26 -4.25 119.66 121.82 2kre s GLN 1273Ca 0.00 2.12 -0.21 0.00 0.05 0.00 0.00 55.36 57.32 2kre s GLN 1273Cb 0.00 -2.62 -0.23 0.00 1.10 0.00 0.00 33.01 31.26 2kre s GLN 1273CO 0.00 -0.62 1.57 2.41 -0.55 0.00 0.00 175.29 178.09 2kre n THR 1274N -0.16 0.00 -1.51 -0.34 -1.04 -1.26 0.20 114.28 110.17 2kre n THR 1274Ca 0.05 -0.13 -0.54 0.00 -2.04 0.00 0.00 64.05 61.39 2kre n THR 1274Cb 0.44 -1.48 -0.08 0.00 -1.82 0.00 0.00 70.33 67.40 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 11.85 2.12 -4.36 -4.42 -0.00 -0.95 -4.88 117.00 116.35 2kre n LEU 1275Ca 0.32 0.67 -0.32 0.00 -0.00 0.00 0.00 56.01 56.68 2kre n LEU 1275Cb 0.43 -1.19 -0.15 0.00 -0.00 0.00 0.00 43.42 42.51 2kre n LEU 1275CO 0.76 -0.61 -0.50 0.28 -0.00 0.00 0.00 177.39 177.32 2kre s THR 1276N 5.88 2.61 -1.31 1.96 -1.32 -1.26 -4.73 115.64 117.47 2kre s THR 1276Ca 1.07 -0.86 0.12 0.00 -1.21 0.00 0.00 61.69 60.80 2kre s THR 1276Cb -0.99 -2.01 0.47 0.00 -1.51 0.00 0.00 72.50 68.46 2kre s THR 1276CO 0.56 0.57 1.32 1.21 -2.21 0.00 0.00 174.62 176.07 2kre n GLU 1277N 2.84 2.75 0.01 7.08 2.13 -1.26 -3.80 120.64 130.40 2kre n GLU 1277Ca -0.17 -1.85 0.11 0.00 0.66 0.00 0.00 57.16 55.91 2kre n GLU 1277Cb 0.52 -1.66 -0.07 0.00 0.27 0.00 0.00 31.44 30.50 2kre n GLU 1277CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2kre n SER 1278N 0.66 0.52 -2.50 4.31 7.64 -1.26 -4.38 113.62 118.61 2kre n SER 1278Ca 0.17 -0.30 -0.15 0.00 1.01 0.00 0.00 58.87 59.59 2kre n SER 1278Cb 0.61 1.22 0.02 0.00 -1.01 0.00 0.00 64.21 65.05 2kre n SER 1278CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2kre n MET 1279N -1.98 2.50 -3.95 1.43 2.81 -1.25 -5.08 117.12 111.61 2kre n MET 1279Ca 0.00 -3.88 -0.27 0.00 -1.81 0.00 0.00 57.70 51.74 2kre n MET 1279Cb 0.46 -1.85 -0.03 0.00 -0.71 0.00 0.00 33.22 31.08 2kre n MET 1279CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kre s LEU 1280N -3.51 4.31 -0.17 4.03 1.02 -1.26 -4.50 118.68 118.60 2kre s LEU 1280Ca 0.39 0.18 -0.04 0.00 0.02 0.00 0.00 54.13 54.67 2kre s LEU 1280Cb 0.40 -2.89 0.07 0.00 0.02 0.00 0.00 46.19 43.79 2kre s LEU 1280CO -0.04 0.08 0.15 -0.70 0.02 0.00 0.00 176.35 175.86 2kre s GLU 1281N -3.04 0.11 0.68 1.70 2.12 -1.05 -5.02 118.70 114.19 2kre s GLU 1281Ca 0.34 0.12 -0.17 0.00 0.36 0.00 0.00 54.97 55.62 2kre s GLU 1281Cb -0.11 -1.37 0.01 0.00 0.26 0.00 0.00 34.13 32.91 2kre s GLU 1281CO 0.28 -0.62 1.24 -2.14 -0.54 0.00 0.00 175.26 173.48 2kre s PRO 1282N 2.23 2.44 -0.50 4.30 0.02 -1.26 -1.79 135.00 140.43 2kre s PRO 1282Ca 0.04 1.88 0.04 0.00 0.02 0.00 0.00 61.00 62.97 2kre s PRO 1282Cb -0.15 -1.86 0.13 0.00 0.02 0.00 0.00 34.50 32.64 2kre s PRO 1282CO -0.10 -1.63 0.26 0.08 -0.33 0.00 0.00 177.00 175.28 2kre s VAL 1283N -1.71 2.25 0.05 3.83 1.01 -1.01 -4.83 120.40 120.00 2kre s VAL 1283Ca 0.78 -3.15 -0.27 0.00 0.00 0.00 0.00 61.98 59.34 2kre s VAL 1283Cb -0.32 -2.56 -0.17 0.00 0.00 0.00 0.00 36.38 33.32 2kre s VAL 1283CO 0.41 -0.84 1.53 -0.65 0.00 0.00 0.00 175.10 175.55 2kre h PRO 1284N 6.51 -0.36 -0.70 2.72 0.11 -1.95 -2.64 132.00 135.69 2kre h PRO 1284Ca -0.05 0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.29 2kre h PRO 1284Cb 0.89 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 2kre h PRO 1284CO 0.63 -0.15 0.90 -1.91 -0.21 0.00 0.00 178.00 177.27 2kre n GLU 1285N -5.19 0.01 0.01 1.05 4.07 -1.26 0.22 120.64 119.55 2kre n GLU 1285Ca -0.10 0.76 -0.12 0.00 -0.06 0.00 0.00 57.16 57.64 2kre n GLU 1285Cb 0.21 -1.90 -0.09 0.00 -0.06 0.00 0.00 31.44 29.59 2kre n GLU 1285CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2kre h LEU 1286N 0.00 -0.10 0.08 4.31 7.12 -1.88 -3.34 115.31 121.50 2kre h LEU 1286Ca 0.33 -0.49 0.01 0.00 0.13 0.00 0.00 57.88 57.86 2kre h LEU 1286Cb 2.14 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 42.26 2kre h LEU 1286CO -0.00 0.50 -0.37 0.50 -0.13 0.00 0.00 178.44 178.94 2kre h LYS 1287N -0.75 -0.50 -0.57 1.25 1.63 0.25 -1.12 116.57 116.77 2kre h LYS 1287Ca -0.01 0.03 0.22 0.00 -0.85 0.00 0.00 60.65 60.04 2kre h LYS 1287Cb 0.58 0.11 -0.08 0.00 -0.60 0.00 0.00 32.23 32.24 2kre h LYS 1287CO 0.02 -0.33 0.33 -0.85 -3.45 0.00 0.00 179.45 175.17 2kre n GLU 1288N -4.53 -0.02 -0.03 1.90 -0.00 -1.16 0.37 120.64 117.16 2kre n GLU 1288Ca -0.06 0.65 -0.15 0.00 -0.00 0.00 0.00 57.16 57.61 2kre n GLU 1288Cb 0.28 -1.21 -0.10 0.00 -0.00 0.00 0.00 31.44 30.41 2kre n GLU 1288CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2kre h GLN 1289N 0.00 0.21 -0.14 3.44 -0.00 -1.33 -1.45 115.11 115.84 2kre h GLN 1289Ca 0.42 -0.18 0.02 0.00 -0.00 0.00 0.00 58.65 58.92 2kre h GLN 1289Cb 1.22 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.72 2kre h GLN 1289CO -0.32 0.84 -0.01 0.82 0.00 0.00 0.00 178.83 180.17 2kre h ILE 1290N -0.36 0.89 -0.17 2.39 2.04 0.69 -1.17 117.51 121.81 2kre h ILE 1290Ca -0.02 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 2kre h ILE 1290Cb 0.89 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2kre h ILE 1290CO 0.04 0.01 -0.20 1.56 0.00 0.00 0.00 178.15 179.57 2kre h GLN 1291N 0.03 0.30 0.00 2.37 1.08 -1.05 -2.42 115.11 115.42 2kre h GLN 1291Ca 0.06 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2kre h GLN 1291Cb 0.08 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2kre h GLN 1291CO -0.12 0.49 0.00 0.00 -0.95 0.00 0.00 178.83 178.25 2kre n ALA 1292N -2.48 -0.11 -0.42 3.87 0.00 -0.55 -0.85 120.51 119.97 2kre n ALA 1292Ca -0.01 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.77 2kre n ALA 1292Cb 0.33 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.40 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 0.53 0.00 0.00 7.01 -1.35 1.66 115.95 123.81 2kre h TRP 1293Ca 0.00 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 2kre h TRP 1293Cb 0.00 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 2kre h TRP 1293CO 0.05 -0.15 -0.32 0.00 -2.79 0.00 0.00 178.44 175.24 2kre h MET 1294N 0.15 0.00 -0.04 2.65 -0.00 -1.49 -3.30 114.93 112.89 2kre h MET 1294Ca 0.77 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 60.37 2kre h MET 1294Cb 2.36 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 33.96 2kre h MET 1294CO -0.38 0.32 -0.35 -0.09 -0.00 0.00 0.00 176.91 176.41 2kre h ARG 1295N 0.00 0.31 -0.09 -0.10 2.43 0.44 -3.04 114.38 114.33 2kre h ARG 1295Ca -0.00 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2kre h ARG 1295Cb 1.18 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2kre h ARG 1295CO 0.04 0.94 0.00 -0.85 -1.51 0.00 0.00 179.97 178.59 2kre n GLU 1296N -4.41 0.33 -0.00 0.20 -0.00 -0.63 -0.83 120.64 115.30 2kre n GLU 1296Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.10 2kre n GLU 1296Cb 0.53 -1.05 -0.03 0.00 -0.00 0.00 0.00 31.44 30.89 2kre n GLU 1296CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2kre n LYS 1297N -0.27 3.11 0.00 3.44 4.76 -1.15 -4.62 118.16 123.44 2kre n LYS 1297Ca 0.00 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2kre n LYS 1297Cb 0.02 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 2kre n LYS 1297CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kre n GLN 1298N -1.36 1.13 -2.45 1.97 -0.00 -0.01 -4.89 117.38 111.78 2kre n GLN 1298Ca 0.00 -0.86 -0.41 0.00 -0.00 0.00 0.00 57.00 55.72 2kre n GLN 1298Cb 0.10 -0.76 -0.03 0.00 -0.00 0.00 0.00 30.24 29.54 2kre n GLN 1298CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2kre s ASN 1299N -0.41 7.15 0.00 2.61 6.03 -0.05 -4.89 114.94 125.38 2kre s ASN 1299Ca 0.00 2.09 0.00 0.00 -1.03 0.00 0.00 52.86 53.92 2kre s ASN 1299Cb 0.00 -2.60 0.00 0.00 -3.03 0.00 0.00 41.25 35.62 2kre s ASN 1299CO 0.00 -0.35 0.00 -1.20 -2.03 0.00 0.00 177.10 173.52 2kre n SER 1300N 2.99 2.62 -4.70 3.54 7.64 -1.26 -5.03 113.62 119.42 2kre n SER 1300Ca 0.05 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 2kre n SER 1300Cb 0.46 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 2kre n SER 1300CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kre s ASP 1301N -1.93 7.25 0.00 6.43 -4.77 -1.26 -5.29 116.67 117.09 2kre s ASP 1301Ca 0.00 1.52 0.29 0.00 -3.30 0.00 0.00 52.55 51.06 2kre s ASP 1301Cb 0.00 -2.54 1.20 0.00 -1.09 0.00 0.00 42.92 40.49 2kre s ASP 1301CO 0.00 -0.36 1.83 1.41 0.70 0.00 0.00 175.17 178.75