#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bt4 s SER 1203N 0.00 5.70 0.48 0.55 1.04 -1.26 -4.71 113.70 115.50 2bt4 s SER 1203Ca 0.00 -0.36 0.13 0.00 0.48 0.00 0.00 55.95 56.21 2bt4 s SER 1203Cb 0.00 -0.93 1.14 0.00 0.10 0.00 0.00 66.02 66.33 2bt4 s SER 1203CO 0.00 -0.57 2.11 -0.07 0.98 0.00 0.00 173.24 175.69 2bt4 h LEU 1204N 0.84 0.12 -1.03 2.42 4.07 -1.80 -1.62 115.31 118.32 2bt4 h LEU 1204Ca -0.43 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.43 2bt4 h LEU 1204Cb 1.27 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 2bt4 h LEU 1204CO 0.51 0.11 -0.35 0.00 -1.08 0.00 0.00 178.44 177.63 2bt4 h ALA 1205N 1.91 1.18 0.00 1.53 0.00 -1.91 -3.30 119.26 118.68 2bt4 h ALA 1205Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2bt4 h ALA 1205Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2bt4 h ALA 1205CO -0.01 0.54 -1.28 0.09 0.00 0.00 0.00 179.25 178.60 2bt4 n ASN 1206N -4.08 0.96 -3.75 0.00 3.02 -0.68 -4.99 115.26 105.74 2bt4 n ASN 1206Ca -0.01 -0.43 -0.13 0.00 -0.03 0.00 0.00 54.58 53.97 2bt4 n ASN 1206Cb 0.43 1.39 -0.09 0.00 -0.61 0.00 0.00 39.78 40.90 2bt4 n ASN 1206CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bt4 s ALA 1207N -2.86 -0.83 0.71 5.41 0.00 -0.78 -4.96 121.76 118.45 2bt4 s ALA 1207Ca -0.00 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 2bt4 s ALA 1207Cb 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2bt4 s ALA 1207CO 0.68 -0.24 1.09 -1.25 0.00 0.00 0.00 175.76 176.04 2bt4 s PRO 1208N -0.99 2.65 -0.04 0.00 0.04 -1.26 -4.31 135.00 131.08 2bt4 s PRO 1208Ca -0.11 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 2bt4 s PRO 1208Cb -0.04 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2bt4 s PRO 1208CO 0.04 -1.34 0.81 0.42 0.04 0.00 0.00 177.00 176.96 2bt4 s ILE 1209N -2.74 4.98 -0.03 0.56 1.01 -0.02 -1.22 121.20 123.74 2bt4 s ILE 1209Ca 0.62 1.68 -0.23 0.00 0.00 0.00 0.00 60.65 62.72 2bt4 s ILE 1209Cb -0.17 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2bt4 s ILE 1209CO 0.50 0.21 0.68 -0.32 0.00 0.00 0.00 174.94 176.01 2bt4 s MET 1210N 0.92 4.42 -0.23 2.79 -2.45 -0.07 -0.73 119.30 123.95 2bt4 s MET 1210Ca 0.43 0.87 0.01 0.00 -1.25 0.00 0.00 55.69 55.75 2bt4 s MET 1210Cb -0.19 -3.40 0.04 0.00 1.25 0.00 0.00 34.83 32.53 2bt4 s MET 1210CO 0.22 0.19 -0.13 0.42 1.05 0.00 0.00 175.02 176.77 2bt4 s ILE 1211N 0.36 2.31 -0.07 10.11 1.01 -0.23 -1.05 121.20 133.64 2bt4 s ILE 1211Ca 0.36 -1.23 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2bt4 s ILE 1211Cb -0.18 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 2bt4 s ILE 1211CO 0.19 0.23 -0.17 -0.76 0.00 0.00 0.00 174.94 174.43 2bt4 s LEU 1212N 1.23 2.56 -0.07 2.97 1.43 0.08 -0.99 118.68 125.89 2bt4 s LEU 1212Ca -0.02 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2bt4 s LEU 1212Cb -0.17 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.54 2bt4 s LEU 1212CO -0.08 0.27 -0.14 0.20 0.23 0.00 0.00 176.35 176.83 2bt4 s ASN 1213N -0.28 1.99 0.26 2.29 0.01 -0.64 -0.97 114.94 117.61 2bt4 s ASN 1213Ca 0.01 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 2bt4 s ASN 1213Cb -0.13 -0.89 0.00 0.00 0.41 0.00 0.00 41.25 40.64 2bt4 s ASN 1213CO 0.03 0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 2bt4 n GLY 1214N 3.71 0.09 3.76 0.66 0.00 0.04 -0.90 105.19 112.54 2bt4 n GLY 1214Ca -0.22 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 2bt4 n GLY 1214CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bt4 s PRO 1215N -0.45 3.38 0.00 1.61 0.04 -1.08 -3.00 135.00 135.50 2bt4 s PRO 1215Ca 0.00 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2bt4 s PRO 1215Cb 0.00 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2bt4 s PRO 1215CO 0.00 -0.97 0.00 0.09 0.04 0.00 0.00 177.00 176.16 2bt4 n ASN 1216N -0.78 0.00 0.15 6.66 3.02 -1.26 -4.53 115.26 118.52 2bt4 n ASN 1216Ca 0.09 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 2bt4 n ASN 1216Cb 0.46 -0.09 0.54 0.00 -0.61 0.00 0.00 39.78 40.08 2bt4 n ASN 1216CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2bt4 h LEU 1217N 0.00 0.00 -2.21 3.41 3.38 -1.91 -1.54 115.31 116.45 2bt4 h LEU 1217Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2bt4 h LEU 1217Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2bt4 h LEU 1217CO 0.00 0.00 0.17 -0.55 0.09 0.00 0.00 178.44 178.15 2bt4 h ASN 1218N 0.00 0.00 -0.55 -0.43 -1.07 -1.89 -2.02 115.58 109.62 2bt4 h ASN 1218Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2bt4 h ASN 1218Cb 0.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.55 2bt4 h ASN 1218CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 2bt4 n LEU 1219N -3.96 2.95 -4.64 6.14 4.77 -0.58 -4.71 117.00 116.97 2bt4 n LEU 1219Ca 0.01 -1.47 -0.44 0.00 -0.03 0.00 0.00 56.01 54.08 2bt4 n LEU 1219Cb 0.30 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2bt4 n LEU 1219CO 0.29 0.73 0.77 -0.11 -1.33 0.00 0.00 177.39 177.74 2bt4 n LEU 1220N 1.09 2.67 0.00 2.23 7.94 -0.76 -1.98 117.00 128.19 2bt4 n LEU 1220Ca 0.18 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.27 2bt4 n LEU 1220Cb 0.47 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.03 2bt4 n LEU 1220CO 0.13 -0.90 0.00 0.61 -1.11 0.00 0.00 177.39 176.12 2bt4 n GLY 1221N 1.19 1.33 0.25 -3.96 0.00 -1.18 -4.02 105.19 98.81 2bt4 n GLY 1221Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2bt4 n GLY 1221CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bt4 n GLN 1222N -2.00 0.85 -3.57 1.61 6.02 -0.84 -4.82 117.38 114.63 2bt4 n GLN 1222Ca 0.00 -0.51 -0.06 0.00 -0.01 0.00 0.00 57.00 56.43 2bt4 n GLN 1222Cb 0.00 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 2bt4 n GLN 1222CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2bt4 s ARG 1223N -2.50 0.67 -1.31 -1.09 1.70 -1.26 -5.03 118.95 110.13 2bt4 s ARG 1223Ca 0.24 -0.28 -0.09 0.00 -0.47 0.00 0.00 55.73 55.14 2bt4 s ARG 1223Cb 0.19 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 2bt4 s ARG 1223CO 0.52 -0.30 0.55 1.04 -1.08 0.00 0.00 175.30 176.03 2bt4 n GLN 1224N -0.24 -2.47 0.22 3.89 6.02 -1.26 -4.78 117.38 118.76 2bt4 n GLN 1224Ca -0.06 0.40 0.09 0.00 -0.01 0.00 0.00 57.00 57.42 2bt4 n GLN 1224Cb 0.61 -4.28 0.45 0.00 1.02 0.00 0.00 30.24 28.04 2bt4 n GLN 1224CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2bt4 h PRO 1225N -1.91 0.00 0.00 -1.09 0.13 -1.93 -0.47 132.00 126.73 2bt4 h PRO 1225Ca -0.65 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.47 2bt4 h PRO 1225Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 2bt4 h PRO 1225CO 0.57 0.26 -0.08 0.93 -0.23 0.00 0.00 178.00 179.45 2bt4 h GLU 1226N 0.00 0.00 0.00 0.86 3.07 -1.89 0.20 114.58 116.81 2bt4 h GLU 1226Ca -0.00 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.42 2bt4 h GLU 1226Cb 0.74 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.58 2bt4 h GLU 1226CO 0.03 0.08 -2.47 -0.89 -1.40 0.00 0.00 179.01 174.36 2bt4 n ILE 1227N -3.48 1.45 0.45 3.13 5.41 -0.54 -4.78 119.36 121.00 2bt4 n ILE 1227Ca -0.02 -0.40 0.05 0.00 1.00 0.00 0.00 62.75 63.38 2bt4 n ILE 1227Cb 0.21 -1.77 -0.05 0.00 -0.71 0.00 0.00 39.64 37.32 2bt4 n ILE 1227CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2bt4 n TYR 1228N -4.01 0.00 -0.13 1.39 4.02 -0.30 -4.56 117.16 113.57 2bt4 n TYR 1228Ca -0.51 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 2bt4 n TYR 1228Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 2bt4 n TYR 1228CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bt4 n GLY 1229N 1.19 -3.32 0.35 2.72 0.00 0.68 -4.73 105.19 102.09 2bt4 n GLY 1229Ca 0.02 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.24 2bt4 n GLY 1229CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bt4 n SER 1230N -0.40 1.65 -4.78 1.61 7.64 -1.26 -4.28 113.62 113.81 2bt4 n SER 1230Ca 0.00 -1.33 -0.36 0.00 1.01 0.00 0.00 58.87 58.19 2bt4 n SER 1230Cb 0.00 0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 2bt4 n SER 1230CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2bt4 s ASP 1231N -0.97 6.35 0.67 6.43 1.01 -1.26 -4.71 116.67 124.19 2bt4 s ASP 1231Ca 0.11 2.17 -0.03 0.00 0.71 0.00 0.00 52.55 55.51 2bt4 s ASP 1231Cb 0.08 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.49 2bt4 s ASP 1231CO 0.16 -0.78 0.94 0.42 0.21 0.00 0.00 175.17 176.11 2bt4 s THR 1232N -1.64 2.37 0.40 -1.27 -4.23 -1.26 -3.09 115.64 106.92 2bt4 s THR 1232Ca 0.63 -0.46 0.11 0.00 -1.18 0.00 0.00 61.69 60.79 2bt4 s THR 1232Cb -0.25 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 70.82 2bt4 s THR 1232CO 0.30 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.54 2bt4 h LEU 1233N -0.40 0.11 -0.92 4.79 5.85 -1.80 -1.32 115.31 121.62 2bt4 h LEU 1233Ca -0.42 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 2bt4 h LEU 1233Cb 1.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2bt4 h LEU 1233CO 0.52 0.33 -0.34 0.00 -0.34 0.00 0.00 178.44 178.62 2bt4 h ALA 1234N 1.68 1.09 -0.67 1.25 0.00 -1.94 -0.23 119.26 120.44 2bt4 h ALA 1234Ca 0.02 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2bt4 h ALA 1234Cb 0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2bt4 h ALA 1234CO 0.03 0.57 0.11 -0.44 0.00 0.00 0.00 179.25 179.52 2bt4 h ASP 1235N 0.32 1.05 -0.34 0.00 3.32 -1.69 -1.64 116.42 117.45 2bt4 h ASP 1235Ca 0.04 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2bt4 h ASP 1235Cb 0.75 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2bt4 h ASP 1235CO 0.06 1.04 0.19 0.58 -1.72 0.00 0.00 179.24 179.39 2bt4 h VAL 1236N 1.03 1.13 -0.61 -1.35 2.07 -0.74 -1.90 116.25 115.88 2bt4 h VAL 1236Ca 0.20 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.45 2bt4 h VAL 1236Cb 0.44 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 2bt4 h VAL 1236CO 0.01 0.13 0.30 -0.08 0.02 0.00 0.00 177.57 177.95 2bt4 h GLU 1237N 0.43 0.53 -0.89 1.57 4.81 -0.89 -1.08 114.58 119.06 2bt4 h GLU 1237Ca 0.12 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2bt4 h GLU 1237Cb 0.05 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 2bt4 h GLU 1237CO -0.02 0.35 0.59 0.00 -0.73 0.00 0.00 179.01 179.20 2bt4 h ALA 1238N 1.35 1.43 -0.52 2.92 0.00 -1.02 -0.17 119.26 123.26 2bt4 h ALA 1238Ca 0.28 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2bt4 h ALA 1238Cb 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2bt4 h ALA 1238CO -0.22 0.48 0.03 -0.07 0.00 0.00 0.00 179.25 179.47 2bt4 h LEU 1239N 1.12 0.82 -0.34 0.00 3.38 -0.48 -1.98 115.31 117.83 2bt4 h LEU 1239Ca 0.35 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2bt4 h LEU 1239Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2bt4 h LEU 1239CO -0.10 0.87 -0.14 0.00 0.09 0.00 0.00 178.44 179.15 2bt4 h VAL 1241N 0.48 0.97 -0.07 0.00 2.07 -0.93 -0.12 116.25 118.66 2bt4 h VAL 1241Ca 0.08 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2bt4 h VAL 1241Cb 0.67 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2bt4 h VAL 1241CO 0.05 0.08 0.04 0.50 0.02 0.00 0.00 177.57 178.26 2bt4 h LYS 1242N 0.42 0.09 -0.60 1.57 3.64 -1.33 -1.82 116.57 118.53 2bt4 h LYS 1242Ca 0.18 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2bt4 h LYS 1242Cb 0.09 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2bt4 h LYS 1242CO -0.13 0.07 0.33 0.00 -2.27 0.00 0.00 179.45 177.45 2bt4 h ALA 1243N 1.01 0.77 -0.61 5.00 0.00 -0.84 -1.86 119.26 122.73 2bt4 h ALA 1243Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2bt4 h ALA 1243Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2bt4 h ALA 1243CO -0.01 0.29 0.02 0.00 0.00 0.00 0.00 179.25 179.56 2bt4 h ALA 1244N 1.15 0.82 -0.31 0.00 0.00 -0.99 -2.69 119.26 117.25 2bt4 h ALA 1244Ca 0.21 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2bt4 h ALA 1244Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2bt4 h ALA 1244CO -0.03 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.78 2bt4 h ALA 1245N 1.00 1.28 0.00 0.00 0.00 -0.95 0.12 119.26 120.71 2bt4 h ALA 1245Ca 0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2bt4 h ALA 1245Cb 0.54 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2bt4 h ALA 1245CO 0.03 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.75 2bt4 h ALA 1246N 1.44 1.33 -0.34 0.00 0.00 -1.01 -2.13 119.26 118.55 2bt4 h ALA 1246Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2bt4 h ALA 1246Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2bt4 h ALA 1246CO 0.02 0.01 0.00 0.72 0.00 0.00 0.00 179.25 180.00 2bt4 n HIS 1247N -3.57 0.52 -1.01 0.00 8.25 -0.06 -4.98 115.22 114.37 2bt4 n HIS 1247Ca -0.03 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 2bt4 n HIS 1247Cb 0.09 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2bt4 n HIS 1247CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bt4 n GLY 1248N 0.40 0.55 1.92 -1.41 0.00 -0.63 -4.96 105.19 101.06 2bt4 n GLY 1248Ca 0.13 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 2bt4 n GLY 1248CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bt4 n GLY 1249N -2.35 3.72 3.24 -0.02 0.00 0.24 -4.26 105.19 105.76 2bt4 n GLY 1249Ca 0.00 -2.15 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 2bt4 n GLY 1249CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bt4 s THR 1250N -2.23 0.16 0.14 2.61 -4.23 -1.26 -3.17 115.64 107.66 2bt4 s THR 1250Ca 0.06 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.62 2bt4 s THR 1250Cb 0.00 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 2bt4 s THR 1250CO 0.05 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 174.69 2bt4 s VAL 1251N -3.98 1.19 -0.29 2.29 -7.23 -1.26 -0.84 120.40 110.28 2bt4 s VAL 1251Ca 0.39 -1.91 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2bt4 s VAL 1251Cb 0.07 -1.69 0.09 0.00 0.56 0.00 0.00 36.38 35.41 2bt4 s VAL 1251CO 0.14 -0.63 0.07 -0.62 -0.31 0.00 0.00 175.10 173.75 2bt4 s ASP 1252N -2.88 3.96 -0.18 4.85 -1.08 0.09 -4.83 116.67 116.61 2bt4 s ASP 1252Ca 0.13 -1.56 -0.05 0.00 -0.52 0.00 0.00 52.55 50.55 2bt4 s ASP 1252Cb -0.00 -0.93 -0.03 0.00 -1.46 0.00 0.00 42.92 40.49 2bt4 s ASP 1252CO 0.01 -0.38 0.01 0.12 0.52 0.00 0.00 175.17 175.45 2bt4 s PHE 1253N 1.56 3.11 0.03 -5.34 5.36 -1.26 -1.06 117.98 120.38 2bt4 s PHE 1253Ca 0.07 -0.20 -0.04 0.00 -0.96 0.00 0.00 56.93 55.80 2bt4 s PHE 1253Cb -0.17 -2.04 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 2bt4 s PHE 1253CO -0.20 -0.02 0.05 1.03 -1.46 0.00 0.00 175.22 174.62 2bt4 s ARG 1254N 0.54 0.53 -0.02 10.12 0.52 -0.16 -4.98 118.95 125.51 2bt4 s ARG 1254Ca -0.00 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.41 2bt4 s ARG 1254Cb -0.14 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.54 2bt4 s ARG 1254CO 0.02 -0.12 0.06 -1.14 0.02 0.00 0.00 175.30 174.14 2bt4 s GLN 1255N -2.52 0.14 -0.01 3.54 -0.44 -1.26 -1.63 119.66 117.48 2bt4 s GLN 1255Ca -0.06 -0.03 -0.17 0.00 -2.50 0.00 0.00 55.36 52.60 2bt4 s GLN 1255Cb -0.02 0.06 0.03 0.00 -1.64 0.00 0.00 33.01 31.44 2bt4 s GLN 1255CO -0.04 -0.02 0.37 0.45 0.50 0.00 0.00 175.29 176.54 2bt4 s SER 1256N -0.25 -0.25 0.00 6.67 0.15 -0.08 -4.96 113.70 114.97 2bt4 s SER 1256Ca -0.03 0.14 0.26 0.00 0.70 0.00 0.00 55.95 57.02 2bt4 s SER 1256Cb -0.02 0.35 0.68 0.00 -1.71 0.00 0.00 66.02 65.33 2bt4 s SER 1256CO 0.00 -0.50 1.53 0.59 1.20 0.00 0.00 173.24 176.06 2bt4 n ASN 1257N 1.10 1.96 -4.38 5.45 3.02 -1.26 -2.62 115.26 118.54 2bt4 n ASN 1257Ca -0.21 -1.60 -0.36 0.00 -0.03 0.00 0.00 54.58 52.38 2bt4 n ASN 1257Cb 0.57 0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.65 2bt4 n ASN 1257CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bt4 s HIS 1258N -2.08 3.07 0.19 3.10 3.76 -1.26 -4.71 115.29 117.36 2bt4 s HIS 1258Ca 0.32 -0.72 -0.11 0.00 -0.15 0.00 0.00 55.06 54.40 2bt4 s HIS 1258Cb 0.20 -2.21 0.20 0.00 1.11 0.00 0.00 32.58 31.89 2bt4 s HIS 1258CO 0.36 -0.47 1.77 1.49 -0.85 0.00 0.00 174.74 177.03 2bt4 h GLU 1259N 8.20 0.47 -0.06 1.40 4.81 -2.00 -2.18 114.58 125.23 2bt4 h GLU 1259Ca -0.37 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.76 2bt4 h GLU 1259Cb 1.16 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2bt4 h GLU 1259CO 0.59 0.31 -0.30 0.78 -0.73 0.00 0.00 179.01 179.66 2bt4 h GLY 1260N 0.48 0.11 0.92 1.92 0.00 -1.99 -1.50 103.07 103.01 2bt4 h GLY 1260Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 2bt4 h GLY 1260CO -0.22 0.08 -0.06 -2.09 0.00 0.00 0.00 176.54 174.25 2bt4 h GLU 1261N 0.09 0.63 -1.00 4.80 4.81 -1.89 -1.46 114.58 120.56 2bt4 h GLU 1261Ca 0.01 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.06 2bt4 h GLU 1261Cb 0.59 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 2bt4 h GLU 1261CO 0.04 0.79 0.65 -0.07 -0.73 0.00 0.00 179.01 179.70 2bt4 h LEU 1262N 0.42 1.08 -0.38 1.64 3.38 -0.94 -0.73 115.31 119.79 2bt4 h LEU 1262Ca 0.09 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2bt4 h LEU 1262Cb 0.54 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2bt4 h LEU 1262CO 0.03 0.73 0.22 0.58 0.09 0.00 0.00 178.44 180.09 2bt4 h VAL 1263N 1.25 1.03 -0.81 1.22 2.07 -1.10 -0.75 116.25 119.16 2bt4 h VAL 1263Ca 0.41 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 2bt4 h VAL 1263Cb 0.04 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2bt4 h VAL 1263CO -0.14 0.08 0.46 0.44 0.02 0.00 0.00 177.57 178.43 2bt4 h ASP 1264N 0.45 1.00 0.19 0.57 3.32 -0.80 -1.64 116.42 119.51 2bt4 h ASP 1264Ca 0.15 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2bt4 h ASP 1264Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 2bt4 h ASP 1264CO -0.08 0.80 -0.43 -0.50 -1.72 0.00 0.00 179.24 177.32 2bt4 h TRP 1265N 1.12 0.37 -0.63 4.55 6.55 -0.72 -1.95 115.95 125.24 2bt4 h TRP 1265Ca 0.29 -0.11 -0.02 0.00 0.95 0.00 0.00 58.89 60.00 2bt4 h TRP 1265Cb 0.01 -0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 28.20 2bt4 h TRP 1265CO 0.00 0.69 0.31 0.82 -1.05 0.00 0.00 178.44 179.21 2bt4 h ILE 1266N 0.26 1.22 -0.60 1.49 2.04 -0.68 -1.33 117.51 119.90 2bt4 h ILE 1266Ca 0.02 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2bt4 h ILE 1266Cb 0.87 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2bt4 h ILE 1266CO 0.07 0.25 0.40 0.45 0.00 0.00 0.00 178.15 179.32 2bt4 h HIS 1267N 0.87 0.65 -0.23 1.37 3.86 -0.97 -1.08 115.15 119.61 2bt4 h HIS 1267Ca 0.22 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.41 2bt4 h HIS 1267Cb 0.12 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 2bt4 h HIS 1267CO 0.00 0.37 0.03 1.49 0.86 0.00 0.00 177.93 180.67 2bt4 h GLU 1268N 0.66 0.39 -0.73 2.45 4.81 -0.96 -3.19 114.58 118.01 2bt4 h GLU 1268Ca 0.25 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2bt4 h GLU 1268Cb 0.16 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2bt4 h GLU 1268CO -0.07 0.54 0.37 0.00 -0.73 0.00 0.00 179.01 179.12 2bt4 h ALA 1269N 0.83 0.94 -1.01 2.92 0.00 -0.81 -0.07 119.26 122.07 2bt4 h ALA 1269Ca 0.07 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.10 2bt4 h ALA 1269Cb 0.35 -0.29 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 2bt4 h ALA 1269CO 0.01 0.49 0.59 -0.09 0.00 0.00 0.00 179.25 180.25 2bt4 h ARG 1270N 1.02 0.53 0.00 0.00 2.43 -1.20 -0.38 114.38 116.78 2bt4 h ARG 1270Ca 0.25 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2bt4 h ARG 1270Cb 0.09 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2bt4 h ARG 1270CO -0.03 0.35 -1.67 1.28 -1.51 0.00 0.00 179.97 178.39 2bt4 n LEU 1271N -4.90 0.38 0.00 3.80 4.77 -0.79 -4.69 117.00 115.57 2bt4 n LEU 1271Ca 0.28 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2bt4 n LEU 1271Cb 0.78 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2bt4 n LEU 1271CO 0.16 0.03 -0.01 0.59 -1.33 0.00 0.00 177.39 176.82 2bt4 n ASN 1272N -2.54 0.10 -4.44 -1.43 3.02 -0.11 -5.09 115.26 104.77 2bt4 n ASN 1272Ca -0.07 -0.36 -0.22 0.00 -0.03 0.00 0.00 54.58 53.89 2bt4 n ASN 1272Cb 0.68 0.75 -0.10 0.00 -0.61 0.00 0.00 39.78 40.49 2bt4 n ASN 1272CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bt4 s HIS 1273N -0.77 2.08 -2.55 3.10 3.76 -0.24 -4.48 115.29 116.19 2bt4 s HIS 1273Ca 0.00 -0.53 0.25 0.00 -0.15 0.00 0.00 55.06 54.63 2bt4 s HIS 1273Cb 0.00 -1.06 0.76 0.00 1.11 0.00 0.00 32.58 33.39 2bt4 s HIS 1273CO 0.00 0.48 1.58 0.00 -0.85 0.00 0.00 174.74 175.95 2bt4 n GLY 1275N 1.23 1.62 3.00 0.00 0.00 -1.26 -4.48 105.19 105.30 2bt4 n GLY 1275Ca 0.17 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 2bt4 n GLY 1275CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bt4 s ILE 1276N -2.00 1.17 -0.23 -0.61 1.01 -0.47 -0.89 121.20 119.17 2bt4 s ILE 1276Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 2bt4 s ILE 1276Cb 0.00 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2bt4 s ILE 1276CO 0.00 0.37 0.04 -0.69 0.00 0.00 0.00 174.94 174.67 2bt4 s VAL 1277N 0.95 4.17 -0.09 2.92 1.01 -0.21 -0.71 120.40 128.44 2bt4 s VAL 1277Ca -0.09 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2bt4 s VAL 1277Cb -0.15 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.32 2bt4 s VAL 1277CO 0.00 0.37 -0.13 -0.51 0.00 0.00 0.00 175.10 174.83 2bt4 s ILE 1278N 1.40 1.31 -0.53 2.22 2.07 0.15 -0.74 121.20 127.08 2bt4 s ILE 1278Ca 0.05 -0.54 -0.12 0.00 -1.41 0.00 0.00 60.65 58.63 2bt4 s ILE 1278Cb -0.15 -1.21 0.13 0.00 0.13 0.00 0.00 42.46 41.37 2bt4 s ILE 1278CO 0.02 0.40 0.44 0.21 -1.91 0.00 0.00 174.94 174.11 2bt4 s ASN 1279N 0.94 5.96 0.00 4.50 3.84 -0.14 -0.98 114.94 129.05 2bt4 s ASN 1279Ca -0.09 -1.96 0.26 0.00 0.21 0.00 0.00 52.86 51.29 2bt4 s ASN 1279Cb -0.15 -2.10 1.30 0.00 -0.55 0.00 0.00 41.25 39.75 2bt4 s ASN 1279CO -0.00 -0.74 1.88 -0.81 -2.79 0.00 0.00 177.10 174.65 2bt4 n PRO 1280N 4.92 0.32 0.00 0.43 -0.05 -1.26 -0.78 135.00 138.58 2bt4 n PRO 1280Ca -0.08 0.04 0.00 0.00 -0.05 0.00 0.00 63.50 63.41 2bt4 n PRO 1280Cb 0.41 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.36 2bt4 n PRO 1280CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2bt4 n ALA 1281N -1.32 0.00 -0.01 0.55 0.00 -1.26 -2.16 120.51 116.31 2bt4 n ALA 1281Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.66 2bt4 n ALA 1281Cb 0.22 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.19 2bt4 n ALA 1281CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bt4 h ALA 1282N -0.78 1.99 0.00 0.00 0.00 -1.93 0.45 119.26 118.98 2bt4 h ALA 1282Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bt4 h ALA 1282Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2bt4 h ALA 1282CO 0.00 -0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.83 2bt4 n TYR 1283N -4.47 0.54 -0.28 0.00 0.53 -0.92 -1.78 117.16 110.79 2bt4 n TYR 1283Ca 0.07 0.23 0.01 0.00 -1.02 0.00 0.00 57.90 57.19 2bt4 n TYR 1283Cb 0.28 -0.88 0.14 0.00 -1.03 0.00 0.00 39.34 37.86 2bt4 n TYR 1283CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 2bt4 h SER 1284N 0.00 0.67 1.23 7.72 0.02 -0.97 -0.24 113.55 121.98 2bt4 h SER 1284Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2bt4 h SER 1284Cb 0.23 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2bt4 h SER 1284CO 0.00 0.41 -0.51 0.45 -1.14 0.00 0.00 176.83 176.03 2bt4 h HIS 1285N 0.80 0.00 0.00 3.45 3.86 -1.52 -0.43 115.15 121.31 2bt4 h HIS 1285Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2bt4 h HIS 1285Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2bt4 h HIS 1285CO -0.06 0.00 -0.94 0.25 0.86 0.00 0.00 177.93 178.03 2bt4 n THR 1286N -2.50 0.00 -3.23 2.45 -2.24 -1.14 -4.80 114.28 102.83 2bt4 n THR 1286Ca 0.03 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.35 2bt4 n THR 1286Cb 0.49 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 2bt4 n THR 1286CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2bt4 s SER 1287N -2.03 6.60 0.39 3.42 0.15 -0.11 -4.80 113.70 117.31 2bt4 s SER 1287Ca 0.00 -2.31 0.13 0.00 0.70 0.00 0.00 55.95 54.47 2bt4 s SER 1287Cb 0.00 -2.26 0.78 0.00 -1.71 0.00 0.00 66.02 62.83 2bt4 s SER 1287CO 0.00 -0.76 1.86 0.58 1.20 0.00 0.00 173.24 176.12 2bt4 h VAL 1288N 5.24 1.24 -0.97 4.45 2.07 -1.94 -2.83 116.25 123.52 2bt4 h VAL 1288Ca 0.02 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.41 2bt4 h VAL 1288Cb 1.05 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 2bt4 h VAL 1288CO 0.89 0.32 0.63 0.00 0.02 0.00 0.00 177.57 179.44 2bt4 h ALA 1289N 1.67 1.29 -0.14 1.67 0.00 -1.97 0.89 119.26 122.68 2bt4 h ALA 1289Ca -0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2bt4 h ALA 1289Cb 0.58 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bt4 h ALA 1289CO 0.04 0.65 -0.64 0.82 0.00 0.00 0.00 179.25 180.12 2bt4 h ILE 1290N 1.31 1.34 0.10 0.00 2.04 -1.89 -1.69 117.51 118.73 2bt4 h ILE 1290Ca 0.35 -1.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 2bt4 h ILE 1290Cb -0.14 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2bt4 h ILE 1290CO -0.07 0.60 -0.06 0.25 0.00 0.00 0.00 178.15 178.86 2bt4 h LEU 1291N 0.36 -0.15 -1.46 1.44 5.85 -1.17 -1.08 115.31 119.10 2bt4 h LEU 1291Ca -0.01 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.79 2bt4 h LEU 1291Cb 1.20 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 2bt4 h LEU 1291CO 0.12 -0.10 0.45 0.44 -0.34 0.00 0.00 178.44 179.00 2bt4 h ASP 1292N -0.16 0.57 -0.37 1.25 3.32 -0.76 0.82 116.42 121.09 2bt4 h ASP 1292Ca -0.01 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2bt4 h ASP 1292Cb 0.13 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2bt4 h ASP 1292CO 0.01 0.36 -0.12 0.00 -1.72 0.00 0.00 179.24 177.77 2bt4 h ALA 1293N 1.64 0.51 -0.86 3.45 0.00 -0.88 -2.82 119.26 120.30 2bt4 h ALA 1293Ca 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2bt4 h ALA 1293Cb 0.35 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2bt4 h ALA 1293CO -0.10 0.39 0.42 -0.07 0.00 0.00 0.00 179.25 179.89 2bt4 h LEU 1294N 0.53 1.12 -2.11 0.00 3.38 -0.60 -2.35 115.31 115.27 2bt4 h LEU 1294Ca 0.09 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.01 2bt4 h LEU 1294Cb 0.64 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2bt4 h LEU 1294CO 0.04 0.94 0.28 0.78 0.09 0.00 0.00 178.44 180.56 2bt4 h ASN 1295N 1.22 0.00 0.69 -0.43 2.35 -0.62 0.16 115.58 118.95 2bt4 h ASN 1295Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2bt4 h ASN 1295Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2bt4 h ASN 1295CO -0.04 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.09 2bt4 n THR 1296N -3.96 0.28 -2.15 2.81 -2.24 -0.89 -4.26 114.28 103.88 2bt4 n THR 1296Ca 0.04 0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.49 2bt4 n THR 1296Cb 0.43 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 2bt4 n THR 1296CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bt4 n ASP 1298N 1.33 2.84 0.00 0.00 8.00 -1.26 -1.18 116.55 126.28 2bt4 n ASP 1298Ca 0.59 1.09 0.00 0.00 0.71 0.00 0.00 54.79 57.18 2bt4 n ASP 1298Cb 0.25 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 2bt4 n ASP 1298CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bt4 n GLY 1299N 3.18 2.84 3.71 0.44 0.00 -1.26 -5.00 105.19 109.10 2bt4 n GLY 1299Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2bt4 n GLY 1299CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bt4 s LEU 1300N 0.00 4.28 0.14 0.99 2.96 -0.32 -5.01 118.68 121.71 2bt4 s LEU 1300Ca 0.00 1.07 -0.31 0.00 -0.22 0.00 0.00 54.13 54.67 2bt4 s LEU 1300Cb 0.00 -2.99 -0.09 0.00 0.50 0.00 0.00 46.19 43.61 2bt4 s LEU 1300CO 0.00 -0.12 1.47 -2.16 -1.32 0.00 0.00 176.35 174.21 2bt4 s PRO 1301N 0.96 4.27 -0.05 0.98 0.04 -1.26 -4.92 135.00 135.01 2bt4 s PRO 1301Ca 0.34 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.61 2bt4 s PRO 1301Cb -0.17 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.18 2bt4 s PRO 1301CO 0.15 -0.51 -0.12 0.08 0.04 0.00 0.00 177.00 176.65 2bt4 s VAL 1302N 1.07 1.07 -0.08 -0.36 1.01 -1.26 -1.37 120.40 120.48 2bt4 s VAL 1302Ca 0.67 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2bt4 s VAL 1302Cb -0.40 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2bt4 s VAL 1302CO 0.31 0.33 -0.19 -0.69 0.00 0.00 0.00 175.10 174.87 2bt4 s VAL 1303N 0.53 1.66 -0.07 2.92 1.01 0.12 -0.91 120.40 125.65 2bt4 s VAL 1303Ca -0.11 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 2bt4 s VAL 1303Cb -0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2bt4 s VAL 1303CO 0.03 0.47 0.37 -0.70 0.00 0.00 0.00 175.10 175.27 2bt4 s GLU 1304N 0.46 4.04 -0.06 2.72 2.12 -0.13 -0.67 118.70 127.18 2bt4 s GLU 1304Ca -0.17 0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.49 2bt4 s GLU 1304Cb -0.17 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 30.92 2bt4 s GLU 1304CO 0.07 0.48 -0.16 0.08 -0.54 0.00 0.00 175.26 175.19 2bt4 s VAL 1305N -0.36 1.37 -0.11 3.70 1.01 -0.15 -0.16 120.40 125.69 2bt4 s VAL 1305Ca 0.22 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2bt4 s VAL 1305Cb -0.15 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.03 2bt4 s VAL 1305CO 0.10 0.40 -0.15 -1.00 0.00 0.00 0.00 175.10 174.45 2bt4 s HIS 1306N 0.43 1.97 0.10 5.22 3.76 0.38 -4.07 115.29 123.07 2bt4 s HIS 1306Ca -0.12 -0.95 -0.23 0.00 -0.15 0.00 0.00 55.06 53.61 2bt4 s HIS 1306Cb -0.15 -1.43 -0.12 0.00 1.11 0.00 0.00 32.58 32.00 2bt4 s HIS 1306CO 0.04 -0.50 1.72 0.82 -0.85 0.00 0.00 174.74 175.97 2bt4 h ILE 1307N 5.98 0.87 -3.90 0.60 2.04 -1.86 -1.07 117.51 120.18 2bt4 h ILE 1307Ca -0.32 0.00 -0.50 0.00 1.00 0.00 0.00 64.86 65.04 2bt4 h ILE 1307Cb 1.17 0.87 0.04 0.00 -0.74 0.00 0.00 36.82 38.16 2bt4 h ILE 1307CO 0.49 0.00 0.24 -0.94 0.00 0.00 0.00 178.15 177.94 2bt4 s SER 1308N -5.12 6.28 -0.70 1.72 1.04 -1.26 -2.41 113.70 113.25 2bt4 s SER 1308Ca -0.14 1.15 -0.24 0.00 0.48 0.00 0.00 55.95 57.20 2bt4 s SER 1308Cb 0.07 -2.34 0.06 0.00 0.10 0.00 0.00 66.02 63.90 2bt4 s SER 1308CO 0.66 -0.68 1.08 0.21 0.98 0.00 0.00 173.24 175.50 2bt4 s ASN 1309N -4.04 6.18 0.62 7.02 3.84 -1.26 -2.23 114.94 125.07 2bt4 s ASN 1309Ca 0.51 -0.83 0.40 0.00 0.21 0.00 0.00 52.86 53.15 2bt4 s ASN 1309Cb -0.11 -2.47 2.07 0.00 -0.55 0.00 0.00 41.25 40.19 2bt4 s ASN 1309CO 0.47 -1.58 2.25 0.16 -2.79 0.00 0.00 177.10 175.62 2bt4 h ILE 1310N 6.00 0.08 0.00 -5.21 3.07 -1.92 -0.95 117.51 118.59 2bt4 h ILE 1310Ca -0.27 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 65.97 2bt4 h ILE 1310Cb 1.06 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 2bt4 h ILE 1310CO 1.22 0.01 0.00 1.41 -1.05 0.00 0.00 178.15 179.74 2bt4 n HIS 1311N -3.18 0.49 0.55 0.16 8.25 -1.26 -2.29 115.22 117.95 2bt4 n HIS 1311Ca -0.02 0.17 0.12 0.00 -0.26 0.00 0.00 57.72 57.73 2bt4 n HIS 1311Cb 0.14 -0.78 0.23 0.00 1.12 0.00 0.00 29.99 30.70 2bt4 n HIS 1311CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2bt4 n GLN 1312N -1.93 2.37 0.00 -0.41 6.02 -0.36 -4.97 117.38 118.10 2bt4 n GLN 1312Ca 0.04 -2.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.97 2bt4 n GLN 1312Cb 0.28 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.05 2bt4 n GLN 1312CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2bt4 n ARG 1313N 1.30 3.70 -1.89 -1.09 1.74 -0.97 -5.07 116.66 114.38 2bt4 n ARG 1313Ca 0.18 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.87 2bt4 n ARG 1313Cb 0.57 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.02 2bt4 n ARG 1313CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2bt4 s GLU 1314N 1.89 3.54 0.45 5.56 8.01 -1.26 -4.86 118.70 132.02 2bt4 s GLU 1314Ca 0.00 2.23 0.18 0.00 0.01 0.00 0.00 54.97 57.39 2bt4 s GLU 1314Cb 0.00 -2.49 1.12 0.00 -4.31 0.00 0.00 34.13 28.45 2bt4 s GLU 1314CO 0.00 -0.87 1.93 -1.35 0.01 0.00 0.00 175.26 174.98 2bt4 h PRO 1315N 2.03 0.32 0.00 0.39 0.11 -1.96 0.13 132.00 133.01 2bt4 h PRO 1315Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bt4 h PRO 1315Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2bt4 h PRO 1315CO 0.60 0.21 0.00 0.27 -0.21 0.00 0.00 178.00 178.87 2bt4 h PHE 1316N 0.33 0.00 -0.00 0.65 -5.15 -1.97 -1.39 116.94 109.41 2bt4 h PHE 1316Ca 0.35 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.12 2bt4 h PHE 1316Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.06 2bt4 h PHE 1316CO -0.00 0.00 -0.07 0.54 -2.00 0.00 0.00 178.31 176.78 2bt4 n ARG 1317N -2.96 0.20 0.24 6.09 1.74 0.44 -3.88 116.66 118.52 2bt4 n ARG 1317Ca 0.00 -0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.17 2bt4 n ARG 1317Cb 0.26 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.69 2bt4 n ARG 1317CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2bt4 h HIS 1318N 0.08 0.00 -3.29 -1.55 3.86 -1.26 -3.44 115.15 109.55 2bt4 h HIS 1318Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 2bt4 h HIS 1318Cb 0.43 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.78 2bt4 h HIS 1318CO 0.00 0.15 -0.63 -1.58 0.86 0.00 0.00 177.93 176.73 2bt4 s HIS 1319N -3.60 3.11 -0.06 2.45 5.65 -1.25 -4.87 115.29 116.72 2bt4 s HIS 1319Ca 0.01 0.08 -0.01 0.00 0.25 0.00 0.00 55.06 55.40 2bt4 s HIS 1319Cb 0.09 -1.65 0.03 0.00 -1.18 0.00 0.00 32.58 29.87 2bt4 s HIS 1319CO 0.61 0.49 -0.00 0.45 -0.65 0.00 0.00 174.74 175.64 2bt4 s SER 1320N -1.85 1.24 0.36 9.88 0.15 -1.26 -4.19 113.70 118.03 2bt4 s SER 1320Ca 0.23 -0.07 0.10 0.00 0.70 0.00 0.00 55.95 56.91 2bt4 s SER 1320Cb -0.12 -0.38 0.70 0.00 -1.71 0.00 0.00 66.02 64.52 2bt4 s SER 1320CO 0.14 -0.16 1.84 1.88 1.20 0.00 0.00 173.24 178.14 2bt4 h TYR 1321N 7.97 0.16 0.00 3.44 -1.99 -1.38 -3.09 116.97 122.08 2bt4 h TYR 1321Ca -0.26 -0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.37 2bt4 h TYR 1321Cb 1.13 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.81 2bt4 h TYR 1321CO 0.49 0.41 -0.34 0.28 -0.00 0.00 0.00 178.16 179.00 2bt4 h VAL 1322N 0.14 1.14 0.00 -2.88 2.07 -1.85 -2.14 116.25 112.73 2bt4 h VAL 1322Ca 0.02 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.33 2bt4 h VAL 1322Cb 0.56 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2bt4 h VAL 1322CO 0.04 0.33 0.00 -1.20 0.02 0.00 0.00 177.57 176.76 2bt4 n SER 1323N -3.99 0.64 0.26 0.57 7.64 -1.17 -1.44 113.62 116.15 2bt4 n SER 1323Ca -0.02 0.68 0.16 0.00 1.01 0.00 0.00 58.87 60.70 2bt4 n SER 1323Cb 0.40 -0.81 0.59 0.00 -1.01 0.00 0.00 64.21 63.38 2bt4 n SER 1323CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2bt4 h GLN 1324N 0.00 0.00 0.00 1.43 4.20 -1.54 -3.35 115.11 115.85 2bt4 h GLN 1324Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2bt4 h GLN 1324Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2bt4 h GLN 1324CO 0.00 0.04 -1.46 -2.13 -0.67 0.00 0.00 178.83 174.61 2bt4 n ARG 1325N -3.14 0.97 -1.64 1.46 3.00 -0.83 -5.04 116.66 111.44 2bt4 n ARG 1325Ca 0.01 0.03 -0.45 0.00 -0.00 0.00 0.00 57.85 57.44 2bt4 n ARG 1325Cb 0.35 -1.16 -0.02 0.00 0.00 0.00 0.00 32.46 31.63 2bt4 n ARG 1325CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bt4 n ALA 1326N -2.60 0.48 0.06 5.13 0.00 -0.52 -4.87 120.51 118.19 2bt4 n ALA 1326Ca -0.13 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 2bt4 n ALA 1326Cb 0.67 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.88 2bt4 n ALA 1326CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bt4 h ASP 1327N 3.05 -0.12 -3.63 0.00 3.32 -1.38 -3.44 116.42 114.21 2bt4 h ASP 1327Ca -0.43 -0.24 -0.62 0.00 0.02 0.00 0.00 57.03 55.76 2bt4 h ASP 1327Cb 1.31 0.03 -0.20 0.00 0.22 0.00 0.00 39.33 40.69 2bt4 h ASP 1327CO 0.67 0.17 -0.83 -0.83 -1.72 0.00 0.00 179.24 176.71 2bt4 s GLY 1328N -2.71 1.53 -0.06 2.75 0.00 -1.18 -5.06 107.32 102.58 2bt4 s GLY 1328Ca -0.15 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.09 2bt4 s GLY 1328CO 0.63 -1.51 -0.07 0.14 0.00 0.00 0.00 173.10 172.29 2bt4 s VAL 1329N -1.49 0.82 -0.20 1.40 1.01 -1.26 -0.95 120.40 119.73 2bt4 s VAL 1329Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 2bt4 s VAL 1329Cb -0.08 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2bt4 s VAL 1329CO 0.07 0.30 -0.15 -0.69 0.00 0.00 0.00 175.10 174.63 2bt4 s VAL 1330N 1.02 2.43 -0.00 2.92 1.01 0.77 -4.98 120.40 123.56 2bt4 s VAL 1330Ca -0.09 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.09 2bt4 s VAL 1330Cb -0.14 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2bt4 s VAL 1330CO -0.00 0.48 -0.16 0.00 0.00 0.00 0.00 175.10 175.42 2bt4 s ALA 1331N 1.33 1.32 -0.11 5.51 0.00 -1.26 -0.47 121.76 128.08 2bt4 s ALA 1331Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2bt4 s ALA 1331Cb -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2bt4 s ALA 1331CO -0.10 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.38 2bt4 n GLY 1332N 2.55 0.49 1.90 0.00 0.00 -0.40 -4.71 105.19 105.02 2bt4 n GLY 1332Ca -0.15 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.23 2bt4 n GLY 1332CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bt4 n GLY 1334N 0.31 0.89 0.15 0.00 0.00 -1.01 -2.70 105.19 102.83 2bt4 n GLY 1334Ca 0.32 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.64 2bt4 n GLY 1334CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2bt4 h VAL 1335N 0.00 0.00 -0.04 1.61 -1.51 -1.86 -2.04 116.25 112.41 2bt4 h VAL 1335Ca 0.00 -0.32 0.01 0.00 -1.23 0.00 0.00 66.70 65.17 2bt4 h VAL 1335Cb 0.00 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 30.28 2bt4 h VAL 1335CO 0.00 0.00 0.05 -0.61 -1.23 0.00 0.00 177.57 175.78 2bt4 h GLN 1336N 0.00 0.00 -0.90 5.19 4.15 -1.95 -2.36 115.11 119.24 2bt4 h GLN 1336Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.62 2bt4 h GLN 1336Cb 0.44 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.06 2bt4 h GLN 1336CO 0.00 0.00 0.60 0.78 -1.93 0.00 0.00 178.83 178.28 2bt4 h GLY 1337N 0.00 0.86 1.62 2.39 0.00 -1.15 0.82 103.07 107.61 2bt4 h GLY 1337Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 2bt4 h GLY 1337CO -0.00 -0.01 -0.32 -0.97 0.00 0.00 0.00 176.54 175.24 2bt4 h TYR 1338N 0.40 0.50 -0.37 5.60 -1.99 -1.64 -0.60 116.97 118.86 2bt4 h TYR 1338Ca 0.47 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 61.03 2bt4 h TYR 1338Cb 1.18 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.78 2bt4 h TYR 1338CO -0.00 0.71 0.02 0.28 -0.00 0.00 0.00 178.16 179.17 2bt4 h VAL 1339N 0.37 1.25 -0.97 -2.88 2.07 -1.00 -1.06 116.25 114.04 2bt4 h VAL 1339Ca 0.05 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.65 2bt4 h VAL 1339Cb 0.75 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 2bt4 h VAL 1339CO 0.06 0.31 0.64 -0.26 0.02 0.00 0.00 177.57 178.34 2bt4 h PHE 1340N 0.46 1.21 -0.35 1.57 0.05 -1.09 -0.41 116.94 118.38 2bt4 h PHE 1340Ca 0.11 0.03 0.07 0.00 3.82 0.00 0.00 57.97 62.00 2bt4 h PHE 1340Cb 0.43 -0.41 -0.09 0.00 2.00 0.00 0.00 35.95 37.88 2bt4 h PHE 1340CO 0.03 0.74 -0.37 0.78 -0.18 0.00 0.00 178.31 179.31 2bt4 h GLY 1341N 1.29 -0.41 1.00 -1.45 0.00 -0.51 0.13 103.07 103.12 2bt4 h GLY 1341Ca 0.37 0.47 0.00 0.00 0.00 0.00 0.00 47.33 48.17 2bt4 h GLY 1341CO -0.09 -0.20 0.44 -2.08 0.00 0.00 0.00 176.54 174.61 2bt4 h VAL 1342N -0.31 1.19 -0.66 4.60 2.07 -0.85 -1.82 116.25 120.46 2bt4 h VAL 1342Ca 0.14 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2bt4 h VAL 1342Cb 0.56 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2bt4 h VAL 1342CO -0.52 0.18 0.30 -0.33 0.02 0.00 0.00 177.57 177.22 2bt4 h GLU 1343N 0.94 0.96 -0.25 1.57 5.08 -0.63 -0.73 114.58 121.52 2bt4 h GLU 1343Ca 0.25 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2bt4 h GLU 1343Cb -0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2bt4 h GLU 1343CO -0.05 0.78 0.14 -0.09 -1.00 0.00 0.00 179.01 178.79 2bt4 h ARG 1344N 0.92 0.34 -0.73 2.33 9.65 -0.44 -1.28 114.38 125.17 2bt4 h ARG 1344Ca 0.22 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.07 2bt4 h ARG 1344Cb 0.15 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 2bt4 h ARG 1344CO -0.02 0.30 0.45 0.82 2.80 0.00 0.00 179.97 184.31 2bt4 h ILE 1345N 0.30 1.21 -0.47 1.20 1.08 -1.19 -1.04 117.51 118.59 2bt4 h ILE 1345Ca 0.09 -0.45 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 2bt4 h ILE 1345Cb 0.05 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 33.95 2bt4 h ILE 1345CO -0.02 0.21 0.13 0.00 -0.69 0.00 0.00 178.15 177.79 2bt4 h ALA 1346N 1.24 1.34 -0.46 1.87 0.00 -0.95 0.44 119.26 122.74 2bt4 h ALA 1346Ca 0.26 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2bt4 h ALA 1346Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2bt4 h ALA 1346CO -0.05 0.47 -0.14 0.00 0.00 0.00 0.00 179.25 179.54 2bt4 h ALA 1347N 1.46 0.89 0.08 0.00 0.00 -0.70 -3.28 119.26 117.71 2bt4 h ALA 1347Ca 0.16 -0.34 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 2bt4 h ALA 1347Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2bt4 h ALA 1347CO -0.01 0.63 -1.42 -0.07 0.00 0.00 0.00 179.25 178.39 2bt4 h LEU 1348N 0.77 0.27 -3.19 0.00 3.38 -0.48 -3.28 115.31 112.79 2bt4 h LEU 1348Ca 0.12 -0.36 -0.29 0.00 0.09 0.00 0.00 57.88 57.44 2bt4 h LEU 1348Cb 0.66 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.17 2bt4 h LEU 1348CO 0.05 1.30 0.37 0.00 0.09 0.00 0.00 178.44 180.25 2bt4 n ALA 1349N -2.58 4.49 -1.36 1.53 0.00 0.15 -5.05 120.51 117.69 2bt4 n ALA 1349Ca -0.12 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.77 2bt4 n ALA 1349Cb 1.02 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2bt4 n ALA 1349CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91