#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hyb s ILE 4403N 0.00 5.32 -0.28 2.46 1.01 -1.26 0.19 121.20 128.64 2hyb s ILE 4403Ca 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 2hyb s ILE 4403Cb 0.00 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.98 2hyb s ILE 4403CO 0.00 0.55 -0.02 -0.22 0.00 0.00 0.00 174.94 175.25 2hyb s LEU 4404N -1.21 3.66 0.07 2.97 2.96 0.65 -2.03 118.68 125.75 2hyb s LEU 4404Ca 0.20 -1.15 -0.15 0.00 -0.22 0.00 0.00 54.13 52.81 2hyb s LEU 4404Cb -0.14 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.80 2hyb s LEU 4404CO 0.10 -0.22 0.49 -1.00 -1.32 0.00 0.00 176.35 174.40 2hyb s HIS 4405N 1.27 3.69 -0.07 5.38 3.76 0.06 -0.57 115.29 128.81 2hyb s HIS 4405Ca -0.04 1.06 0.03 0.00 -0.15 0.00 0.00 55.06 55.97 2hyb s HIS 4405Cb -0.19 -2.35 0.01 0.00 1.11 0.00 0.00 32.58 31.16 2hyb s HIS 4405CO -0.02 0.55 -0.17 0.95 -0.85 0.00 0.00 174.74 175.20 2hyb s THR 4406N -1.25 1.49 -0.19 1.30 -4.23 -0.76 -0.42 115.64 111.59 2hyb s THR 4406Ca 0.31 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2hyb s THR 4406Cb -0.17 -1.32 0.04 0.00 1.34 0.00 0.00 72.50 72.39 2hyb s THR 4406CO 0.17 0.43 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.88 2hyb s VAL 4407N 0.46 1.68 -1.62 2.29 1.01 -0.76 0.02 120.40 123.47 2hyb s VAL 4407Ca -0.14 -0.95 0.15 0.00 0.00 0.00 0.00 61.98 61.04 2hyb s VAL 4407Cb -0.16 -1.70 0.25 0.00 0.00 0.00 0.00 36.38 34.77 2hyb s VAL 4407CO 0.05 0.25 1.14 -0.46 0.00 0.00 0.00 175.10 176.08 2hyb n ASN 4408N 4.69 2.70 -4.48 3.32 2.04 -1.25 -2.60 115.26 119.68 2hyb n ASN 4408Ca -0.16 -1.79 -0.31 0.00 -0.44 0.00 0.00 54.58 51.88 2hyb n ASN 4408Cb 0.47 -0.14 -0.12 0.00 -2.53 0.00 0.00 39.78 37.46 2hyb n ASN 4408CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2hyb s LYS 4409N -1.15 2.17 0.28 -3.83 3.01 -1.26 -1.90 119.74 117.06 2hyb s LYS 4409Ca 0.24 -0.93 -0.30 0.00 -1.01 0.00 0.00 55.97 53.97 2hyb s LYS 4409Cb 0.14 -2.25 -0.13 0.00 -1.01 0.00 0.00 37.83 34.58 2hyb s LYS 4409CO 0.20 0.55 1.35 0.45 0.51 0.00 0.00 175.35 178.41 2hyb n SER 4410N 1.55 2.70 0.06 2.83 2.88 -1.09 -4.00 113.62 118.55 2hyb n SER 4410Ca -0.16 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.66 2hyb n SER 4410Cb 0.52 -1.44 0.45 0.00 -0.75 0.00 0.00 64.21 62.99 2hyb n SER 4410CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2hyb n PRO 4411N 1.47 0.12 0.00 -1.46 -0.04 -1.26 -0.75 135.00 133.08 2hyb n PRO 4411Ca 0.09 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2hyb n PRO 4411Cb 0.33 -1.68 0.28 0.00 -0.04 0.00 0.00 33.50 32.39 2hyb n PRO 4411CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2hyb n PHE 4412N -1.90 0.00 0.00 0.54 3.01 -1.26 -4.26 117.46 113.59 2hyb n PHE 4412Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2hyb n PHE 4412Cb 0.28 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 2hyb n PHE 4412CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2hyb n GLU 4413N -0.67 2.99 -4.65 -1.08 2.13 -1.08 -5.07 120.64 113.21 2hyb n GLU 4413Ca 0.11 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.69 2hyb n GLU 4413Cb 0.37 -0.93 -0.14 0.00 0.27 0.00 0.00 31.44 31.00 2hyb n GLU 4413CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2hyb s ARG 4414N -1.87 1.26 0.03 5.31 3.00 0.07 -5.02 118.95 121.74 2hyb s ARG 4414Ca 0.00 -0.73 0.21 0.00 0.00 0.00 0.00 55.73 55.21 2hyb s ARG 4414Cb 0.00 -1.28 0.86 0.00 0.00 0.00 0.00 34.95 34.54 2hyb s ARG 4414CO 0.00 0.34 1.65 0.27 0.00 0.00 0.00 175.30 177.56 2hyb n ASN 4415N 2.27 0.10 -0.31 0.23 6.94 -1.26 -4.10 115.26 119.13 2hyb n ASN 4415Ca -0.16 0.52 0.12 0.00 -0.02 0.00 0.00 54.58 55.04 2hyb n ASN 4415Cb 0.54 -0.54 0.26 0.00 -2.36 0.00 0.00 39.78 37.67 2hyb n ASN 4415CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2hyb h SER 4416N 0.00 -0.38 -0.66 0.53 0.02 -1.89 0.15 113.55 111.32 2hyb h SER 4416Ca 0.00 0.25 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 2hyb h SER 4416Cb 0.37 0.42 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 2hyb h SER 4416CO 0.00 -0.28 0.41 0.25 -1.14 0.00 0.00 176.83 176.07 2hyb h LEU 4417N 0.06 0.68 -0.42 5.07 7.12 -1.84 -1.28 115.31 124.69 2hyb h LEU 4417Ca 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.54 2hyb h LEU 4417Cb 1.08 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.05 2hyb h LEU 4417CO -0.82 0.47 0.22 -0.33 -0.13 0.00 0.00 178.44 177.85 2hyb h GLU 4418N 0.81 0.59 -0.42 1.25 5.08 -1.01 -1.51 114.58 119.37 2hyb h GLU 4418Ca 0.26 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2hyb h GLU 4418Cb 0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2hyb h GLU 4418CO -0.10 0.49 0.19 0.77 -1.00 0.00 0.00 179.01 179.36 2hyb h SER 4419N 0.55 0.57 0.05 1.42 0.02 -1.17 -1.58 113.55 113.40 2hyb h SER 4419Ca 0.15 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2hyb h SER 4419Cb 0.07 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2hyb h SER 4419CO -0.02 0.55 -0.07 0.00 -1.14 0.00 0.00 176.83 176.15 2hyb h LEU 4421N -0.14 0.00 0.11 0.00 3.38 -1.14 0.27 115.31 117.79 2hyb h LEU 4421Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 2hyb h LEU 4421Cb 0.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.92 2hyb h LEU 4421CO -0.04 0.01 -1.26 0.50 0.09 0.00 0.00 178.44 177.74 2hyb h LYS 4422N 0.00 0.47 0.00 1.13 3.64 -0.56 -3.37 116.57 117.88 2hyb h LYS 4422Ca -0.00 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 2hyb h LYS 4422Cb 0.27 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2hyb h LYS 4422CO 0.00 1.31 -1.65 1.19 -2.27 0.00 0.00 179.45 178.03 2hyb n PHE 4423N -3.69 0.00 -2.07 1.91 3.01 -0.74 -4.94 117.46 110.95 2hyb n PHE 4423Ca -0.12 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.94 2hyb n PHE 4423Cb 1.01 -0.33 -0.01 0.00 -0.01 0.00 0.00 39.48 40.13 2hyb n PHE 4423CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hyb s ALA 4424N -3.27 3.42 0.42 4.37 0.00 0.05 -5.00 121.76 121.75 2hyb s ALA 4424Ca -0.03 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.27 2hyb s ALA 4424Cb 0.14 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 2hyb s ALA 4424CO 0.84 -0.73 0.20 0.95 0.00 0.00 0.00 175.76 177.02 2hyb s THR 4425N -1.18 2.27 -0.14 0.00 -4.23 -1.26 -4.95 115.64 106.14 2hyb s THR 4425Ca 0.52 -1.67 -0.42 0.00 -1.18 0.00 0.00 61.69 58.94 2hyb s THR 4425Cb -0.40 -2.94 -0.20 0.00 1.34 0.00 0.00 72.50 70.31 2hyb s THR 4425CO 0.52 0.00 1.26 1.21 -0.54 0.00 0.00 174.62 177.07 2hyb n GLU 4426N -1.28 0.12 0.00 3.99 4.07 -1.26 -0.81 120.64 125.47 2hyb n GLU 4426Ca -0.01 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2hyb n GLU 4426Cb 0.64 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.46 2hyb n GLU 4426CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hyb n GLY 4427N 2.36 1.84 3.76 8.31 0.00 -0.46 -5.00 105.19 116.01 2hyb n GLY 4427Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2hyb n GLY 4427CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hyb s ALA 4428N -2.45 1.55 0.12 4.61 0.00 0.01 -4.39 121.76 121.20 2hyb s ALA 4428Ca 0.00 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 51.57 2hyb s ALA 4428Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2hyb s ALA 4428CO 0.00 -2.44 -0.22 -1.12 0.00 0.00 0.00 175.76 171.98 2hyb s SER 4429N -3.87 2.74 -0.04 0.00 0.01 -0.86 -1.68 113.70 110.00 2hyb s SER 4429Ca 0.64 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2hyb s SER 4429Cb -0.16 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 65.94 2hyb s SER 4429CO 0.54 0.08 -0.01 -0.69 0.41 0.00 0.00 173.24 173.57 2hyb s VAL 4430N -1.22 0.28 -0.15 3.43 1.01 -0.40 -0.76 120.40 122.60 2hyb s VAL 4430Ca 0.09 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2hyb s VAL 4430Cb -0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 2hyb s VAL 4430CO 0.05 0.17 -0.16 -0.22 0.00 0.00 0.00 175.10 174.94 2hyb s LEU 4431N 1.07 2.44 -0.26 3.92 2.96 0.45 -0.29 118.68 128.97 2hyb s LEU 4431Ca -0.09 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.25 2hyb s LEU 4431Cb -0.14 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2hyb s LEU 4431CO -0.01 0.10 0.15 -0.76 -1.32 0.00 0.00 176.35 174.50 2hyb s LEU 4432N 0.71 3.86 0.24 -0.68 1.43 0.19 -1.82 118.68 122.61 2hyb s LEU 4432Ca -0.07 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2hyb s LEU 4432Cb -0.16 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2hyb s LEU 4432CO 0.01 -0.02 0.21 0.72 0.23 0.00 0.00 176.35 177.50 2hyb s PHE 4433N 1.57 1.27 0.00 0.29 -0.71 -1.07 -0.97 117.98 118.36 2hyb s PHE 4433Ca 0.07 -1.41 0.00 0.00 -1.04 0.00 0.00 56.93 54.54 2hyb s PHE 4433Cb -0.15 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 41.12 2hyb s PHE 4433CO 0.08 -0.75 0.00 0.39 -1.34 0.00 0.00 175.22 173.60 2hyb n GLU 4434N -0.39 0.00 0.00 1.99 1.02 -1.26 -0.72 120.64 121.28 2hyb n GLU 4434Ca 0.03 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.21 2hyb n GLU 4434Cb 0.65 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 32.23 2hyb n GLU 4434CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2hyb n ASP 4435N -1.18 0.00 0.13 1.62 10.43 -0.80 -1.51 116.55 125.24 2hyb n ASP 4435Ca 0.00 0.27 0.12 0.00 2.57 0.00 0.00 54.79 57.75 2hyb n ASP 4435Cb 0.00 -0.34 0.49 0.00 1.84 0.00 0.00 41.12 43.11 2hyb n ASP 4435CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hyb n GLY 4436N -0.74 -1.25 0.37 0.44 0.00 0.10 -2.67 105.19 101.43 2hyb n GLY 4436Ca 0.03 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.21 2hyb n GLY 4436CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hyb h ILE 4437N 0.00 0.93 0.00 -0.61 5.03 -1.36 -1.80 117.51 119.70 2hyb h ILE 4437Ca 0.00 -0.33 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 2hyb h ILE 4437Cb 0.35 -0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.03 2hyb h ILE 4437CO 0.00 0.17 0.03 -1.22 -0.68 0.00 0.00 178.15 176.45 2hyb n TYR 4438N -4.58 0.57 0.22 1.37 4.02 -1.17 -1.43 117.16 116.15 2hyb n TYR 4438Ca 0.18 0.30 0.11 0.00 -0.01 0.00 0.00 57.90 58.48 2hyb n TYR 4438Cb 0.35 -0.95 0.32 0.00 -0.02 0.00 0.00 39.34 39.03 2hyb n TYR 4438CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2hyb h ALA 4439N 1.92 0.95 -0.01 -0.72 0.00 -1.58 -3.17 119.26 116.65 2hyb h ALA 4439Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hyb h ALA 4439Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2hyb h ALA 4439CO 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 2hyb n ALA 4440N -2.14 2.64 -2.23 0.00 0.00 -0.51 -4.84 120.51 113.43 2hyb n ALA 4440Ca 0.02 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 2hyb n ALA 4440Cb 0.49 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 2hyb n ALA 4440CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hyb s LEU 4441N -2.07 4.49 0.21 0.00 1.43 -1.20 -0.51 118.68 121.04 2hyb s LEU 4441Ca 0.37 1.87 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 2hyb s LEU 4441Cb 0.21 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.75 2hyb s LEU 4441CO 0.36 -0.13 1.11 0.00 0.23 0.00 0.00 176.35 177.93 2hyb s ALA 4442N 0.01 3.39 0.00 4.21 0.00 -0.20 -3.68 121.76 125.50 2hyb s ALA 4442Ca 0.48 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2hyb s ALA 4442Cb -0.25 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2hyb s ALA 4442CO 0.31 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.27 2hyb n GLY 4443N 1.77 0.38 3.93 0.00 0.00 -1.26 -4.99 105.19 105.02 2hyb n GLY 4443Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2hyb n GLY 4443CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hyb s THR 4444N -2.00 4.38 -0.03 2.61 -4.23 -1.24 -4.95 115.64 110.19 2hyb s THR 4444Ca 0.00 -0.20 0.11 0.00 -1.18 0.00 0.00 61.69 60.43 2hyb s THR 4444Cb 0.00 -3.65 0.11 0.00 1.34 0.00 0.00 72.50 70.30 2hyb s THR 4444CO 0.00 -0.55 1.22 -1.14 -0.54 0.00 0.00 174.62 173.61 2hyb n ARG 4445N -2.18 0.08 -0.12 3.99 0.63 -1.26 -0.41 116.66 117.39 2hyb n ARG 4445Ca 0.01 0.53 0.05 0.00 -0.92 0.00 0.00 57.85 57.52 2hyb n ARG 4445Cb 0.57 -2.06 0.10 0.00 0.45 0.00 0.00 32.46 31.51 2hyb n ARG 4445CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2hyb n VAL 4446N -1.96 1.37 0.00 5.15 0.24 -1.26 -4.68 118.33 117.20 2hyb n VAL 4446Ca -0.01 -1.40 -0.11 0.00 -2.04 0.00 0.00 64.34 60.78 2hyb n VAL 4446Cb 0.33 0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.88 2hyb n VAL 4446CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2hyb h GLU 4447N 0.71 0.08 0.19 7.34 4.81 -1.03 -2.44 114.58 124.24 2hyb h GLU 4447Ca 0.00 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2hyb h GLU 4447Cb 0.79 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 2hyb h GLU 4447CO 0.03 0.06 -0.38 1.03 -0.73 0.00 0.00 179.01 179.01 2hyb h SER 4448N 0.09 -1.09 -0.57 1.04 0.87 -1.83 0.44 113.55 112.49 2hyb h SER 4448Ca 0.04 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2hyb h SER 4448Cb 0.01 0.40 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2hyb h SER 4448CO -0.03 -0.48 0.38 0.06 -0.53 0.00 0.00 176.83 176.23 2hyb h GLN 4449N -0.66 0.73 -0.39 2.24 3.07 -1.88 0.11 115.11 118.32 2hyb h GLN 4449Ca 0.01 -0.04 -0.15 0.00 0.09 0.00 0.00 58.65 58.55 2hyb h GLN 4449Cb 0.66 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 28.05 2hyb h GLN 4449CO -0.18 0.48 -0.36 0.28 0.09 0.00 0.00 178.83 179.14 2hyb h VAL 4450N 0.75 1.27 -0.85 1.86 2.07 -0.97 -1.93 116.25 118.45 2hyb h VAL 4450Ca 0.21 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 2hyb h VAL 4450Cb -0.04 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2hyb h VAL 4450CO -0.05 0.51 0.40 0.74 0.02 0.00 0.00 177.57 179.19 2hyb h THR 4451N 0.76 1.26 -0.72 2.57 2.02 0.11 -2.08 112.91 116.84 2hyb h THR 4451Ca 0.07 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.54 2hyb h THR 4451Cb 0.95 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 2hyb h THR 4451CO 0.09 0.32 0.45 -0.08 0.37 0.00 0.00 175.52 176.67 2hyb h GLU 4452N 1.21 0.84 -0.05 6.66 4.22 -0.62 -2.19 114.58 124.66 2hyb h GLU 4452Ca 0.29 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.69 2hyb h GLU 4452Cb 0.13 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2hyb h GLU 4452CO -0.04 0.56 0.04 0.00 -2.18 0.00 0.00 179.01 177.39 2hyb h ALA 4453N 1.32 1.91 0.00 2.92 0.00 -0.63 -1.27 119.26 123.51 2hyb h ALA 4453Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2hyb h ALA 4453Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hyb h ALA 4453CO -0.12 -0.06 0.17 -0.07 0.00 0.00 0.00 179.25 179.17 2hyb h LEU 4454N 0.00 0.00 0.55 0.00 3.38 -1.25 -0.97 115.31 117.02 2hyb h LEU 4454Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2hyb h LEU 4454Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 2hyb h LEU 4454CO -0.00 0.00 -0.26 1.23 0.09 0.00 0.00 178.44 179.50 2hyb h GLY 4455N 0.00 -0.77 -0.75 0.83 0.00 -1.39 -3.36 103.07 97.64 2hyb h GLY 4455Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2hyb h GLY 4455CO 0.00 -0.28 -0.46 0.58 0.00 0.00 0.00 176.54 176.38 2hyb n LYS 4456N -3.98 1.41 -4.35 4.80 0.00 -1.09 -5.00 118.16 109.94 2hyb n LYS 4456Ca -0.09 -0.78 -0.26 0.00 -0.00 0.00 0.00 58.31 57.18 2hyb n LYS 4456Cb 0.29 -1.37 -0.10 0.00 -0.00 0.00 0.00 35.03 33.86 2hyb n LYS 4456CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2hyb s LEU 4457N -2.32 2.82 -0.41 -5.58 1.43 -0.39 -1.35 118.68 112.88 2hyb s LEU 4457Ca 0.15 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 2hyb s LEU 4457Cb 0.15 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.94 2hyb s LEU 4457CO 0.52 0.08 0.28 -0.54 0.23 0.00 0.00 176.35 176.92 2hyb s LYS 4458N -3.05 2.90 -0.09 1.70 1.02 -0.68 -4.42 119.74 117.13 2hyb s LYS 4458Ca 0.26 -1.10 -0.09 0.00 0.02 0.00 0.00 55.97 55.05 2hyb s LYS 4458Cb -0.08 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.28 2hyb s LYS 4458CO 0.15 -0.78 0.22 -0.51 -0.92 0.00 0.00 175.35 173.51 2hyb s LEU 4459N 1.62 4.41 0.09 3.17 1.43 -1.26 -1.27 118.68 126.87 2hyb s LEU 4459Ca 0.04 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2hyb s LEU 4459Cb -0.20 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2hyb s LEU 4459CO 0.08 0.38 -0.06 -0.31 0.23 0.00 0.00 176.35 176.67 2hyb s TYR 4460N -1.02 0.84 -0.02 0.29 1.51 0.60 -1.26 117.35 118.29 2hyb s TYR 4460Ca 0.17 -0.91 -0.03 0.00 -1.01 0.00 0.00 57.07 55.30 2hyb s TYR 4460Cb -0.13 -0.50 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 2hyb s TYR 4460CO 0.07 -0.17 0.07 0.54 -1.11 0.00 0.00 175.55 174.95 2hyb s VAL 4461N -3.52 0.03 -0.41 0.71 0.11 0.25 -0.64 120.40 116.94 2hyb s VAL 4461Ca 0.10 -0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 58.67 2hyb s VAL 4461Cb 0.05 -0.18 0.02 0.00 -1.53 0.00 0.00 36.38 34.74 2hyb s VAL 4461CO -0.05 -0.12 0.97 -0.22 -3.33 0.00 0.00 175.10 172.35 2hyb s LEU 4462N -0.35 3.94 0.18 2.54 2.96 -0.15 -0.53 118.68 127.26 2hyb s LEU 4462Ca -0.04 0.47 -0.20 0.00 -0.22 0.00 0.00 54.13 54.14 2hyb s LEU 4462Cb -0.03 -3.30 0.11 0.00 0.50 0.00 0.00 46.19 43.46 2hyb s LEU 4462CO 0.00 -0.97 1.61 1.23 -1.32 0.00 0.00 176.35 176.90 2hyb h GLY 4463N 10.38 -0.02 -0.18 7.98 0.00 0.85 -1.94 103.07 120.14 2hyb h GLY 4463Ca -0.23 0.33 0.24 0.00 0.00 0.00 0.00 47.33 47.67 2hyb h GLY 4463CO 1.02 -0.21 0.51 -2.55 0.00 0.00 0.00 176.54 175.31 2hyb h PRO 4464N -0.17 0.48 0.00 4.80 0.11 -1.93 -1.05 132.00 134.24 2hyb h PRO 4464Ca 0.21 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.12 2hyb h PRO 4464Cb 0.50 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 2hyb h PRO 4464CO -0.55 0.32 -0.77 -0.44 -0.21 0.00 0.00 178.00 176.35 2hyb h ASP 4465N 0.50 0.00 0.10 -2.05 3.32 -1.74 -2.16 116.42 114.39 2hyb h ASP 4465Ca 0.61 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.66 2hyb h ASP 4465Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2hyb h ASP 4465CO -0.50 0.77 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.68 2hyb h LEU 4466N 0.00 -0.11 -0.02 1.55 3.38 -0.85 -3.03 115.31 116.23 2hyb h LEU 4466Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2hyb h LEU 4466Cb 1.37 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 2hyb h LEU 4466CO 0.10 0.21 0.01 0.11 0.09 0.00 0.00 178.44 178.96 2hyb h LYS 4467N -0.44 0.02 -0.63 1.13 1.57 -1.20 -0.92 116.57 116.10 2hyb h LYS 4467Ca -0.01 -0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.95 2hyb h LYS 4467Cb 0.37 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2hyb h LYS 4467CO 0.02 0.01 0.56 0.00 -0.57 0.00 0.00 179.45 179.47 2hyb h ALA 4468N 1.01 2.45 -0.53 3.86 0.00 -1.41 0.31 119.26 124.95 2hyb h ALA 4468Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hyb h ALA 4468Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hyb h ALA 4468CO -0.01 -0.88 0.00 0.54 0.00 0.00 0.00 179.25 178.90 2hyb n ARG 4469N -3.91 3.96 -2.00 0.00 1.74 -0.84 -4.96 116.66 110.64 2hyb n ARG 4469Ca 0.12 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.27 2hyb n ARG 4469Cb 0.80 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 2hyb n ARG 4469CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hyb n GLY 4470N 0.59 0.55 2.87 -0.13 0.00 0.11 -5.07 105.19 104.11 2hyb n GLY 4470Ca 0.25 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 2hyb n GLY 4470CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hyb s PHE 4471N -2.19 0.83 0.66 1.61 0.40 -0.41 -4.99 117.98 113.88 2hyb s PHE 4471Ca 0.00 -0.26 -0.07 0.00 -0.60 0.00 0.00 56.93 56.00 2hyb s PHE 4471Cb 0.00 -0.77 0.03 0.00 0.51 0.00 0.00 43.02 42.79 2hyb s PHE 4471CO 0.00 -0.26 0.98 -1.54 0.70 0.00 0.00 175.22 175.10 2hyb s SER 4472N 1.26 5.23 0.61 1.36 1.04 -1.26 -2.82 113.70 119.12 2hyb s SER 4472Ca -0.05 0.68 0.32 0.00 0.48 0.00 0.00 55.95 57.38 2hyb s SER 4472Cb -0.14 -1.49 1.88 0.00 0.10 0.00 0.00 66.02 66.37 2hyb s SER 4472CO -0.02 -1.34 2.21 0.44 0.98 0.00 0.00 173.24 175.51 2hyb h ASP 4473N -0.45 0.00 0.55 7.02 3.45 -1.98 -1.51 116.42 123.51 2hyb h ASP 4473Ca -0.45 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 56.95 2hyb h ASP 4473Cb 1.28 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.04 2hyb h ASP 4473CO 0.61 0.00 -0.28 -0.33 -1.57 0.00 0.00 179.24 177.67 2hyb h GLU 4474N 0.00 0.00 -0.00 3.56 4.39 -2.03 -1.88 114.58 118.62 2hyb h GLU 4474Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2hyb h GLU 4474Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2hyb h GLU 4474CO -0.00 0.28 0.00 0.54 -1.16 0.00 0.00 179.01 178.67 2hyb n ARG 4475N -3.73 1.05 -3.05 2.33 5.12 -0.57 -4.85 116.66 112.97 2hyb n ARG 4475Ca -0.01 -0.08 -0.35 0.00 -1.93 0.00 0.00 57.85 55.48 2hyb n ARG 4475Cb 0.38 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.13 2hyb n ARG 4475CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2hyb s VAL 4476N -2.00 4.53 0.12 1.55 1.01 -0.71 -1.03 120.40 123.87 2hyb s VAL 4476Ca 0.46 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 63.43 2hyb s VAL 4476Cb 0.22 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 2hyb s VAL 4476CO 0.36 0.07 1.62 -0.63 0.00 0.00 0.00 175.10 176.52 2hyb s ILE 4477N -1.69 2.81 0.20 2.22 1.01 0.34 -4.64 121.20 121.45 2hyb s ILE 4477Ca 0.48 0.45 -0.33 0.00 0.00 0.00 0.00 60.65 61.25 2hyb s ILE 4477Cb -0.15 -3.29 -0.13 0.00 0.01 0.00 0.00 42.46 38.90 2hyb s ILE 4477CO 0.20 0.02 1.54 -2.65 0.00 0.00 0.00 174.94 174.05 2hyb n PRO 4478N 4.77 2.22 0.00 2.79 -0.02 -1.26 -2.24 135.00 141.26 2hyb n PRO 4478Ca 0.15 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2hyb n PRO 4478Cb 0.39 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2hyb n PRO 4478CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hyb n GLY 4479N 3.00 1.63 3.68 -1.23 0.00 -1.26 -5.06 105.19 105.94 2hyb n GLY 4479Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2hyb n GLY 4479CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hyb s ILE 4480N -1.87 4.90 0.22 -0.61 1.01 -0.95 -4.65 121.20 119.24 2hyb s ILE 4480Ca 0.00 1.63 -0.25 0.00 0.00 0.00 0.00 60.65 62.03 2hyb s ILE 4480Cb 0.00 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 2hyb s ILE 4480CO 0.00 0.06 0.83 -0.44 0.00 0.00 0.00 174.94 175.39 2hyb s SER 4481N 1.11 7.38 -0.21 3.58 0.01 -0.39 -4.88 113.70 120.30 2hyb s SER 4481Ca 0.39 1.71 -0.10 0.00 1.31 0.00 0.00 55.95 59.26 2hyb s SER 4481Cb -0.17 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 2hyb s SER 4481CO 0.14 0.12 0.12 -0.69 0.41 0.00 0.00 173.24 173.34 2hyb s VAL 4482N -1.31 5.24 0.20 3.43 1.01 -1.26 -0.58 120.40 127.14 2hyb s VAL 4482Ca 0.41 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.56 2hyb s VAL 4482Cb -0.22 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2hyb s VAL 4482CO 0.26 0.41 -0.04 0.68 0.00 0.00 0.00 175.10 176.41 2hyb s VAL 4483N 0.62 1.10 0.21 2.92 -7.23 0.31 -4.86 120.40 113.47 2hyb s VAL 4483Ca 0.07 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 2hyb s VAL 4483Cb -0.12 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.67 2hyb s VAL 4483CO 0.01 -0.47 0.19 -0.90 -0.31 0.00 0.00 175.10 173.62 2hyb n ASP 4484N -0.34 1.40 -0.25 4.85 5.68 -1.26 0.14 116.55 126.76 2hyb n ASP 4484Ca -0.07 -1.67 -0.03 0.00 -0.50 0.00 0.00 54.79 52.52 2hyb n ASP 4484Cb 0.63 -0.06 0.08 0.00 -1.14 0.00 0.00 41.12 40.63 2hyb n ASP 4484CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2hyb h TYR 4485N 0.41 0.85 -0.72 2.11 -1.99 -1.99 0.37 116.97 116.00 2hyb h TYR 4485Ca -0.12 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.72 2hyb h TYR 4485Cb 0.47 -0.28 -0.07 0.00 2.00 0.00 0.00 36.73 38.85 2hyb h TYR 4485CO 0.00 0.49 0.37 0.00 -0.00 0.00 0.00 178.16 179.02 2hyb h ALA 4486N 1.30 1.00 -0.50 3.88 0.00 -2.00 0.47 119.26 123.41 2hyb h ALA 4486Ca 0.28 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2hyb h ALA 4486Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2hyb h ALA 4486CO -0.10 -0.03 -0.04 0.78 0.00 0.00 0.00 179.25 179.86 2hyb h GLY 4487N 0.62 0.99 0.41 0.00 0.00 -1.52 -2.08 103.07 101.50 2hyb h GLY 4487Ca 0.36 -0.76 0.09 0.00 0.00 0.00 0.00 47.33 47.02 2hyb h GLY 4487CO -0.27 0.70 0.26 -2.75 0.00 0.00 0.00 176.54 174.48 2hyb h PHE 4488N 0.78 0.45 -0.58 5.60 -0.00 0.90 -0.34 116.94 123.76 2hyb h PHE 4488Ca 0.14 0.03 -0.00 0.00 -0.00 0.00 0.00 57.97 58.14 2hyb h PHE 4488Cb 0.58 -0.11 -0.03 0.00 -0.00 0.00 0.00 35.95 36.39 2hyb h PHE 4488CO 0.04 0.13 0.36 0.28 -0.00 0.00 0.00 178.31 179.12 2hyb h VAL 4489N 0.45 1.17 -0.75 1.41 2.07 -0.64 -2.55 116.25 117.40 2hyb h VAL 4489Ca 0.32 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2hyb h VAL 4489Cb 0.37 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2hyb h VAL 4489CO -0.29 0.17 0.42 0.44 0.02 0.00 0.00 177.57 178.32 2hyb h ASP 4490N 0.78 0.94 -0.85 0.57 3.32 -0.52 -2.56 116.42 118.09 2hyb h ASP 4490Ca 0.21 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.18 2hyb h ASP 4490Cb -0.04 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 2hyb h ASP 4490CO -0.04 0.76 0.56 -0.07 -1.72 0.00 0.00 179.24 178.73 2hyb h LEU 4491N 1.04 0.97 -1.43 1.55 3.38 -0.72 -0.91 115.31 119.19 2hyb h LEU 4491Ca 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2hyb h LEU 4491Cb 0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2hyb h LEU 4491CO -0.04 0.70 -0.06 0.71 0.09 0.00 0.00 178.44 179.84 2hyb h THR 4492N 1.14 0.16 0.00 0.22 1.35 -1.12 -2.38 112.91 112.28 2hyb h THR 4492Ca 0.32 -0.65 -0.12 0.00 -0.55 0.00 0.00 66.41 65.41 2hyb h THR 4492Cb -0.11 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 2hyb h THR 4492CO -0.07 0.06 -1.70 0.35 -0.25 0.00 0.00 175.52 173.90 2hyb n THR 4493N -3.19 0.75 -0.01 6.82 -2.24 -0.71 -4.30 114.28 111.41 2hyb n THR 4493Ca 0.00 -0.64 -0.17 0.00 -2.27 0.00 0.00 64.05 60.98 2hyb n THR 4493Cb 0.33 -0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.06 2hyb n THR 4493CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2hyb h GLU 4494N 0.00 0.27 -7.47 -0.78 5.08 -1.09 -3.45 114.58 107.14 2hyb h GLU 4494Ca -0.15 -0.32 -0.44 0.00 -1.00 0.00 0.00 59.36 57.45 2hyb h GLU 4494Cb 1.41 0.10 0.16 0.00 0.50 0.00 0.00 28.75 30.92 2hyb h GLU 4494CO 0.02 1.04 0.23 0.00 -1.00 0.00 0.00 179.01 179.30 2hyb n ASP 4496N -4.20 0.46 -3.90 0.00 10.43 0.51 -4.92 116.55 114.93 2hyb n ASP 4496Ca 0.09 0.10 -0.11 0.00 2.57 0.00 0.00 54.79 57.44 2hyb n ASP 4496Cb 0.59 0.55 -0.11 0.00 1.84 0.00 0.00 41.12 44.00 2hyb n ASP 4496CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2hyb s THR 4497N -2.52 0.08 -0.15 -3.53 2.01 -0.42 -5.02 115.64 106.09 2hyb s THR 4497Ca -0.11 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 2hyb s THR 4497Cb 0.07 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 2hyb s THR 4497CO 0.81 -0.36 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.60 2hyb s VAL 4498N -1.18 3.37 -0.26 3.82 1.01 -1.26 -0.25 120.40 125.64 2hyb s VAL 4498Ca -0.13 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2hyb s VAL 4498Cb -0.07 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.93 2hyb s VAL 4498CO 0.01 0.50 -0.02 -1.58 0.00 0.00 0.00 175.10 174.01 2hyb s GLN 4499N 0.48 1.53 -0.19 2.72 0.74 0.26 -4.94 119.66 120.26 2hyb s GLN 4499Ca -0.07 -1.17 -0.28 0.00 0.05 0.00 0.00 55.36 53.89 2hyb s GLN 4499Cb -0.15 -2.64 -0.00 0.00 1.10 0.00 0.00 33.01 31.32 2hyb s GLN 4499CO 0.04 -0.70 0.96 0.00 -0.55 0.00 0.00 175.29 175.04 2hyb s ALA 4500N 1.32 3.58 -0.39 1.58 0.00 -1.26 -1.84 121.76 124.76 2hyb s ALA 4500Ca -0.01 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 2hyb s ALA 4500Cb -0.19 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2hyb s ALA 4500CO -0.09 -0.85 0.31 -1.58 0.00 0.00 0.00 175.76 173.55 2hyb s TRP 4501N 2.66 3.23 -2.57 0.00 0.52 0.10 -4.93 118.94 117.94 2hyb s TRP 4501Ca 0.42 -0.40 0.21 0.00 0.02 0.00 0.00 56.10 56.35 2hyb s TRP 4501Cb -0.16 -2.60 0.16 0.00 -1.15 0.00 0.00 33.47 29.72 2hyb s TRP 4501CO 0.10 -0.52 1.15 1.28 0.02 0.00 0.00 176.95 178.98