#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3h s GLN 8002N 0.00 0.59 0.52 9.51 -0.21 -1.26 -4.39 119.66 124.42 1r3h s GLN 8002Ca 0.00 0.03 0.07 0.00 0.02 0.00 0.00 55.36 55.48 1r3h s GLN 8002Cb 0.00 -0.78 0.07 0.00 1.00 0.00 0.00 33.01 33.30 1r3h s GLN 8002CO 0.00 -0.18 0.57 0.54 -2.12 0.00 0.00 175.29 174.10 1r3h n ARG 8003N 4.49 0.68 -5.16 2.91 3.00 0.59 -4.95 116.66 118.22 1r3h n ARG 8003Ca -0.18 -3.04 -0.31 0.00 -0.01 0.00 0.00 57.85 54.31 1r3h n ARG 8003Cb 0.50 0.05 -0.17 0.00 0.00 0.00 0.00 32.46 32.85 1r3h n ARG 8003CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1r3h s THR 8004N -2.43 1.93 0.58 0.55 -1.32 -1.22 -4.36 115.64 109.38 1r3h s THR 8004Ca 0.43 -0.98 -0.16 0.00 -1.21 0.00 0.00 61.69 59.77 1r3h s THR 8004Cb -0.03 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 1r3h s THR 8004CO 0.27 0.54 1.05 -2.16 -2.21 0.00 0.00 174.62 172.11 1r3h s PRO 8005N 0.09 3.39 -0.26 7.08 0.04 -1.24 -4.11 135.00 139.99 1r3h s PRO 8005Ca -0.10 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 1r3h s PRO 8005Cb -0.15 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1r3h s PRO 8005CO 0.05 -0.75 -0.03 0.15 0.04 0.00 0.00 177.00 176.47 1r3h s LYS 8006N -4.03 2.81 0.25 4.56 1.02 0.13 -4.92 119.74 119.56 1r3h s LYS 8006Ca 0.63 -1.00 -0.19 0.00 0.02 0.00 0.00 55.97 55.43 1r3h s LYS 8006Cb -0.16 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 1r3h s LYS 8006CO 0.36 -0.44 0.74 0.42 -0.92 0.00 0.00 175.35 175.51 1r3h s ILE 8007N 1.34 4.57 -0.26 2.17 -1.09 -1.26 -3.79 121.20 122.89 1r3h s ILE 8007Ca -0.00 1.24 -0.09 0.00 -2.23 0.00 0.00 60.65 59.57 1r3h s ILE 8007Cb -0.17 -3.81 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 1r3h s ILE 8007CO -0.03 0.11 0.55 -1.10 -1.23 0.00 0.00 174.94 173.24 1r3h s GLN 8008N -2.22 0.47 -0.18 2.79 -0.21 -1.23 -5.00 119.66 114.08 1r3h s GLN 8008Ca 0.46 1.28 -0.02 0.00 0.02 0.00 0.00 55.36 57.10 1r3h s GLN 8008Cb -0.15 0.64 -0.01 0.00 1.00 0.00 0.00 33.01 34.49 1r3h s GLN 8008CO 0.20 -0.22 -0.09 0.08 -2.12 0.00 0.00 175.29 173.14 1r3h s VAL 8009N 2.78 3.16 0.23 1.09 1.01 -1.26 -2.27 120.40 125.14 1r3h s VAL 8009Ca -0.04 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1r3h s VAL 8009Cb -0.12 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1r3h s VAL 8009CO -0.16 0.48 0.62 -0.72 0.00 0.00 0.00 175.10 175.31 1r3h s TYR 8010N 0.97 -0.17 0.50 5.22 -0.85 -0.72 -4.71 117.35 117.59 1r3h s TYR 8010Ca -0.01 -0.20 0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1r3h s TYR 8010Cb -0.15 0.54 0.10 0.00 0.38 0.00 0.00 41.96 42.83 1r3h s TYR 8010CO -0.01 -1.06 0.69 -1.13 -1.52 0.00 0.00 175.55 172.52 1r3h n SER 8011N -0.41 1.07 -0.07 -0.18 3.41 -1.26 -0.17 113.62 116.01 1r3h n SER 8011Ca -0.08 -1.87 -0.20 0.00 -0.26 0.00 0.00 58.87 56.47 1r3h n SER 8011Cb 0.61 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 1r3h n SER 8011CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1r3h h ARG 8012N 0.00 0.05 -5.75 4.33 9.65 -1.92 -3.46 114.38 117.28 1r3h h ARG 8012Ca -0.23 -0.09 -0.49 0.00 -1.10 0.00 0.00 59.98 58.07 1r3h h ARG 8012Cb 0.88 0.03 -0.15 0.00 -1.39 0.00 0.00 29.97 29.34 1r3h h ARG 8012CO 0.26 1.04 -0.75 -1.01 2.80 0.00 0.00 179.97 182.31 1r3h s HIS 8013N -2.36 1.84 -0.10 2.20 0.09 -1.26 -5.09 115.29 110.61 1r3h s HIS 8013Ca -0.25 -0.51 -0.38 0.00 -0.00 0.00 0.00 55.06 53.92 1r3h s HIS 8013Cb 0.04 -0.85 -0.16 0.00 -0.00 0.00 0.00 32.58 31.61 1r3h s HIS 8013CO 0.65 0.42 1.60 -2.30 -0.00 0.00 0.00 174.74 175.11 1r3h n PRO 8014N -0.31 1.32 -0.93 8.40 -0.02 -1.26 -4.88 135.00 137.31 1r3h n PRO 8014Ca -0.08 0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.53 1r3h n PRO 8014Cb 0.60 -2.17 0.09 0.00 -0.02 0.00 0.00 33.50 31.99 1r3h n PRO 8014CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r3h n ALA 8015N 4.34 -3.22 -2.93 3.55 0.00 -1.26 -5.03 120.51 115.96 1r3h n ALA 8015Ca 0.23 -0.56 0.03 0.00 0.00 0.00 0.00 53.44 53.14 1r3h n ALA 8015Cb 0.18 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1r3h n ALA 8015CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1r3h s GLU 8016N -2.99 0.22 -0.16 0.00 2.56 -1.26 -5.10 118.70 111.96 1r3h s GLU 8016Ca 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 54.97 55.36 1r3h s GLU 8016Cb -0.23 0.04 -0.06 0.00 2.00 0.00 0.00 34.13 35.88 1r3h s GLU 8016CO 0.70 -0.34 0.54 0.09 -0.56 0.00 0.00 175.26 175.70 1r3h n ASN 8017N 4.22 0.37 0.00 -1.70 3.02 -1.25 -0.74 115.26 119.18 1r3h n ASN 8017Ca 0.07 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1r3h n ASN 8017Cb 0.61 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 1r3h n ASN 8017CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r3h n GLY 8018N 1.47 0.60 3.22 7.41 0.00 -0.13 -4.99 105.19 112.77 1r3h n GLY 8018Ca 0.11 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1r3h n GLY 8018CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3h s LYS 8019N -0.81 3.08 0.82 1.61 1.02 0.08 -5.04 119.74 120.50 1r3h s LYS 8019Ca 0.00 -0.85 -0.14 0.00 0.02 0.00 0.00 55.97 55.01 1r3h s LYS 8019Cb 0.00 -2.40 0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1r3h s LYS 8019CO 0.00 0.11 0.81 0.45 -0.92 0.00 0.00 175.35 175.79 1r3h n SER 8020N 3.75 -0.40 -0.02 2.83 2.88 -1.26 -3.82 113.62 117.57 1r3h n SER 8020Ca -0.19 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1r3h n SER 8020Cb 0.52 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1r3h n SER 8020CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1r3h n ASN 8021N -1.93 0.00 -3.64 -3.46 2.85 0.12 -4.92 115.26 104.28 1r3h n ASN 8021Ca 0.11 -0.02 -0.19 0.00 -0.11 0.00 0.00 54.58 54.37 1r3h n ASN 8021Cb 0.51 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.37 1r3h n ASN 8021CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1r3h s PHE 8022N -2.78 -0.05 0.17 1.20 0.40 -1.26 -1.82 117.98 113.84 1r3h s PHE 8022Ca 0.00 0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 56.34 1r3h s PHE 8022Cb 0.00 -0.41 -0.07 0.00 0.51 0.00 0.00 43.02 43.05 1r3h s PHE 8022CO 0.00 -0.32 1.00 -1.17 0.70 0.00 0.00 175.22 175.43 1r3h s LEU 8023N 2.23 4.54 -0.08 -0.37 2.96 -0.92 -2.85 118.68 124.19 1r3h s LEU 8023Ca 0.04 1.93 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 1r3h s LEU 8023Cb -0.13 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1r3h s LEU 8023CO -0.06 -0.05 -0.16 0.20 -1.32 0.00 0.00 176.35 174.96 1r3h s ASN 8024N -0.37 2.23 -0.18 3.68 0.01 0.76 -2.32 114.94 118.76 1r3h s ASN 8024Ca 0.46 -0.39 0.01 0.00 -0.71 0.00 0.00 52.86 52.23 1r3h s ASN 8024Cb -0.26 -1.02 0.03 0.00 0.41 0.00 0.00 41.25 40.41 1r3h s ASN 8024CO 0.32 0.06 -0.16 0.00 -1.51 0.00 0.00 177.10 175.81 1r3h s TYR 8026N 1.35 3.05 -0.19 0.00 5.04 -0.96 -0.43 117.35 125.20 1r3h s TYR 8026Ca 0.03 -0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 54.08 1r3h s TYR 8026Cb -0.14 -2.16 -0.04 0.00 0.35 0.00 0.00 41.96 39.97 1r3h s TYR 8026CO -0.11 -0.33 0.06 0.14 -1.34 0.00 0.00 175.55 173.97 1r3h s VAL 8027N 1.34 4.69 0.01 3.14 -7.23 0.16 -3.57 120.40 118.95 1r3h s VAL 8027Ca 0.05 -0.06 -0.24 0.00 -1.81 0.00 0.00 61.98 59.91 1r3h s VAL 8027Cb -0.15 -3.13 0.06 0.00 0.56 0.00 0.00 36.38 33.72 1r3h s VAL 8027CO 0.02 0.43 0.55 -0.94 -0.31 0.00 0.00 175.10 174.86 1r3h s SER 8028N 0.61 -0.49 0.00 4.85 1.04 -1.25 0.66 113.70 119.12 1r3h s SER 8028Ca 0.03 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1r3h s SER 8028Cb -0.13 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1r3h s SER 8028CO 0.01 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1r3h n GLY 8029N 0.65 0.82 3.34 7.32 0.00 -1.22 0.21 105.19 116.31 1r3h n GLY 8029Ca -0.19 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1r3h n GLY 8029CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r3h s PHE 8030N -2.63 0.97 0.00 1.61 -0.12 -1.25 -3.39 117.98 113.17 1r3h s PHE 8030Ca 0.00 -1.20 0.00 0.00 -0.05 0.00 0.00 56.93 55.68 1r3h s PHE 8030Cb 0.00 -0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.08 1r3h s PHE 8030CO 0.00 -0.80 0.00 1.58 -0.05 0.00 0.00 175.22 175.95 1r3h n HIS 8031N -0.36 0.00 -1.05 3.49 -0.00 -1.26 0.11 115.22 116.15 1r3h n HIS 8031Ca 0.01 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.90 1r3h n HIS 8031Cb 0.64 0.00 0.21 0.00 -0.12 0.00 0.00 29.99 30.72 1r3h n HIS 8031CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 1r3h s PRO 8032N -0.76 -0.36 0.19 1.57 0.02 -1.26 0.22 135.00 134.62 1r3h s PRO 8032Ca 0.00 0.35 0.08 0.00 0.02 0.00 0.00 61.00 61.46 1r3h s PRO 8032Cb 0.00 -1.66 0.05 0.00 0.02 0.00 0.00 34.50 32.91 1r3h s PRO 8032CO 0.00 -3.22 1.43 0.66 -0.33 0.00 0.00 177.00 175.54 1r3h h SER 8033N -2.24 0.02 -0.60 2.53 4.64 -1.99 -3.43 113.55 112.47 1r3h h SER 8033Ca -0.53 -0.01 -0.40 0.00 -0.47 0.00 0.00 61.79 60.38 1r3h h SER 8033Cb 1.32 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.36 1r3h h SER 8033CO 0.50 0.83 1.53 -0.67 -0.87 0.00 0.00 176.83 178.15 1r3h n ASP 8034N -3.57 0.93 -4.08 4.97 2.03 -1.26 -4.85 116.55 110.72 1r3h n ASP 8034Ca -0.01 -0.39 -0.12 0.00 0.52 0.00 0.00 54.79 54.80 1r3h n ASP 8034Cb 0.79 -1.19 -0.11 0.00 -0.72 0.00 0.00 41.12 39.89 1r3h n ASP 8034CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1r3h s ILE 8035N 9.61 0.53 -0.08 5.18 2.07 -1.26 -4.66 121.20 132.59 1r3h s ILE 8035Ca 1.17 -1.31 0.01 0.00 -1.41 0.00 0.00 60.65 59.11 1r3h s ILE 8035Cb -0.68 -0.89 0.02 0.00 0.13 0.00 0.00 42.46 41.04 1r3h s ILE 8035CO 0.37 -0.54 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.05 1r3h s GLU 8036N -2.24 1.68 -0.06 3.50 2.12 -1.09 -5.07 118.70 117.54 1r3h s GLU 8036Ca -0.04 -0.37 -0.01 0.00 0.36 0.00 0.00 54.97 54.91 1r3h s GLU 8036Cb -0.05 -1.50 0.03 0.00 0.26 0.00 0.00 34.13 32.87 1r3h s GLU 8036CO -0.01 -0.08 -0.01 0.08 -0.54 0.00 0.00 175.26 174.70 1r3h s VAL 8037N 1.03 0.38 -0.01 3.70 1.01 -1.26 -2.22 120.40 123.03 1r3h s VAL 8037Ca -0.08 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1r3h s VAL 8037Cb -0.15 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1r3h s VAL 8037CO -0.01 0.24 -0.15 -1.81 0.00 0.00 0.00 175.10 173.37 1r3h s ASP 8038N 1.71 3.98 0.22 3.32 1.01 -0.86 -5.02 116.67 121.03 1r3h s ASP 8038Ca 0.01 -0.29 -0.09 0.00 0.71 0.00 0.00 52.55 52.89 1r3h s ASP 8038Cb -0.13 -0.77 -0.07 0.00 1.01 0.00 0.00 42.92 42.97 1r3h s ASP 8038CO -0.04 0.30 0.53 -0.76 0.21 0.00 0.00 175.17 175.41 1r3h s LEU 8039N -1.09 4.19 -0.01 1.23 1.43 -1.26 -2.35 118.68 120.82 1r3h s LEU 8039Ca 0.13 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1r3h s LEU 8039Cb -0.11 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1r3h s LEU 8039CO 0.03 -0.05 -0.05 -0.76 0.23 0.00 0.00 176.35 175.75 1r3h s LEU 8040N -2.76 1.89 -0.42 1.79 1.43 -0.94 -2.04 118.68 117.62 1r3h s LEU 8040Ca 0.46 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 1r3h s LEU 8040Cb -0.11 -0.31 0.10 0.00 0.03 0.00 0.00 46.19 45.90 1r3h s LEU 8040CO 0.21 0.05 0.25 -0.75 0.23 0.00 0.00 176.35 176.34 1r3h s LYS 8041N 0.04 2.30 -1.31 1.70 2.20 0.16 -2.47 119.74 122.36 1r3h s LYS 8041Ca -0.00 -1.69 0.00 0.00 -0.36 0.00 0.00 55.97 53.92 1r3h s LYS 8041Cb -0.04 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1r3h s LYS 8041CO -0.00 -1.06 0.00 0.09 -0.36 0.00 0.00 175.35 174.02 1r3h n ASN 8042N 4.76 -4.56 0.00 1.43 3.02 0.50 -2.30 115.26 118.10 1r3h n ASN 8042Ca -0.06 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1r3h n ASN 8042Cb 0.42 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 1r3h n ASN 8042CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r3h n GLY 8043N -1.02 0.53 3.33 7.41 0.00 -1.26 -5.04 105.19 109.14 1r3h n GLY 8043Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1r3h n GLY 8043CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3h s GLU 8044N -0.88 3.36 0.47 1.61 2.02 -0.98 -5.01 118.70 119.29 1r3h s GLU 8044Ca 0.00 -0.67 -0.25 0.00 0.02 0.00 0.00 54.97 54.07 1r3h s GLU 8044Cb 0.00 -2.75 -0.08 0.00 0.10 0.00 0.00 34.13 31.40 1r3h s GLU 8044CO 0.00 0.05 1.40 2.89 0.02 0.00 0.00 175.26 179.62 1r3h n ARG 8045N 4.02 2.12 -3.29 1.61 1.85 -1.25 0.36 116.66 122.07 1r3h n ARG 8045Ca -0.18 0.76 -0.39 0.00 -1.00 0.00 0.00 57.85 57.04 1r3h n ARG 8045Cb 0.52 -2.60 -0.07 0.00 -1.05 0.00 0.00 32.46 29.26 1r3h n ARG 8045CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1r3h s ILE 8046N -1.21 5.14 0.10 8.89 -1.09 -0.87 -4.84 121.20 127.31 1r3h s ILE 8046Ca 0.63 0.88 -0.27 0.00 -2.23 0.00 0.00 60.65 59.66 1r3h s ILE 8046Cb -0.45 -3.81 -0.13 0.00 -1.58 0.00 0.00 42.46 36.50 1r3h s ILE 8046CO 0.56 0.21 1.66 -0.33 -1.23 0.00 0.00 174.94 175.81 1r3h h GLU 8047N 7.38 -0.45 -5.29 2.79 5.08 -1.93 -3.40 114.58 118.76 1r3h h GLU 8047Ca -0.35 0.03 -0.66 0.00 -1.00 0.00 0.00 59.36 57.38 1r3h h GLU 8047Cb 1.16 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 30.35 1r3h h GLU 8047CO 0.73 -0.30 0.21 0.21 -1.00 0.00 0.00 179.01 178.87 1r3h s LYS 8048N -6.10 3.20 -0.21 2.33 2.20 -1.26 -5.01 119.74 114.90 1r3h s LYS 8048Ca -0.15 -0.64 -0.09 0.00 -0.36 0.00 0.00 55.97 54.72 1r3h s LYS 8048Cb 0.06 -4.07 0.08 0.00 -1.51 0.00 0.00 37.83 32.40 1r3h s LYS 8048CO 0.65 -1.28 0.48 0.08 -0.36 0.00 0.00 175.35 174.92 1r3h s VAL 8049N 3.05 -0.37 0.00 4.02 1.01 -1.26 -4.86 120.40 121.99 1r3h s VAL 8049Ca 0.21 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1r3h s VAL 8049Cb -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1r3h s VAL 8049CO 0.15 0.04 0.00 -0.62 0.00 0.00 0.00 175.10 174.67 1r3h n GLU 8050N 4.83 3.08 -1.34 2.72 1.02 -1.16 -4.96 120.64 124.83 1r3h n GLU 8050Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1r3h n GLU 8050Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 1r3h n GLU 8050CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1r3h n HIS 8051N 0.00 -0.18 -4.44 -0.32 1.44 -1.25 -3.39 115.22 107.07 1r3h n HIS 8051Ca 0.00 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.47 1r3h n HIS 8051Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 1r3h n HIS 8051CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1r3h s SER 8052N -0.28 3.84 0.03 4.39 1.04 -1.06 -4.93 113.70 116.72 1r3h s SER 8052Ca 0.00 -1.00 -0.30 0.00 0.48 0.00 0.00 55.95 55.13 1r3h s SER 8052Cb 0.00 -0.42 -0.08 0.00 0.10 0.00 0.00 66.02 65.62 1r3h s SER 8052CO 0.00 -0.05 1.71 -1.81 0.98 0.00 0.00 173.24 174.08 1r3h s ASP 8053N -3.58 6.59 -0.44 7.02 1.01 -1.26 -4.75 116.67 121.26 1r3h s ASP 8053Ca 0.31 2.46 -0.40 0.00 0.71 0.00 0.00 52.55 55.63 1r3h s ASP 8053Cb -0.03 -2.55 -0.17 0.00 1.01 0.00 0.00 42.92 41.18 1r3h s ASP 8053CO 0.17 -0.93 1.62 -0.11 0.21 0.00 0.00 175.17 176.12 1r3h n LEU 8054N 6.35 0.88 -4.39 1.23 7.94 -1.26 -4.96 117.00 122.79 1r3h n LEU 8054Ca 0.17 0.85 -0.19 0.00 -1.11 0.00 0.00 56.01 55.72 1r3h n LEU 8054Cb 0.41 -0.78 -0.10 0.00 0.53 0.00 0.00 43.42 43.47 1r3h n LEU 8054CO 0.64 -0.71 -0.26 -0.55 -1.11 0.00 0.00 177.39 175.39 1r3h s SER 8055N 3.82 1.87 0.26 1.96 0.15 -1.25 -5.04 113.70 115.48 1r3h s SER 8055Ca 0.98 -1.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.17 1r3h s SER 8055Cb -1.32 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 63.00 1r3h s SER 8055CO 0.66 -0.66 0.40 0.72 1.20 0.00 0.00 173.24 175.56 1r3h s PHE 8056N -3.49 0.69 0.53 3.44 -0.12 -1.26 -0.75 117.98 117.02 1r3h s PHE 8056Ca 0.37 -0.99 0.04 0.00 -0.05 0.00 0.00 56.93 56.30 1r3h s PHE 8056Cb 0.08 -0.03 0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1r3h s PHE 8056CO 0.15 -0.95 0.36 0.43 -0.05 0.00 0.00 175.22 175.16 1r3h n SER 8057N -0.59 2.76 -0.13 1.98 7.64 0.30 -4.91 113.62 120.67 1r3h n SER 8057Ca -0.00 -2.86 0.11 0.00 1.01 0.00 0.00 58.87 57.13 1r3h n SER 8057Cb 0.63 -0.00 0.46 0.00 -1.01 0.00 0.00 64.21 64.28 1r3h n SER 8057CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1r3h h LYS 8058N 0.00 0.50 -0.01 1.43 1.57 -2.03 0.80 116.57 118.82 1r3h h LYS 8058Ca -0.34 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1r3h h LYS 8058Cb 1.23 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1r3h h LYS 8058CO 0.54 0.33 0.00 -0.40 -0.57 0.00 0.00 179.45 179.35 1r3h n ASP 8059N -4.48 0.09 -0.11 0.86 5.75 -1.26 -4.87 116.55 112.53 1r3h n ASP 8059Ca 0.11 -1.31 -0.01 0.00 -0.01 0.00 0.00 54.79 53.57 1r3h n ASP 8059Cb 0.37 -0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.45 1r3h n ASP 8059CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1r3h n TRP 8060N -0.79 0.00 -3.00 2.11 7.02 0.28 -5.03 117.44 118.03 1r3h n TRP 8060Ca 0.17 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.26 1r3h n TRP 8060Cb 0.09 -0.63 -0.06 0.00 -2.42 0.00 0.00 31.31 28.30 1r3h n TRP 8060CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1r3h s SER 8061N -2.35 7.32 0.62 -0.99 1.04 -1.25 -4.66 113.70 113.43 1r3h s SER 8061Ca 0.00 1.56 -0.06 0.00 0.48 0.00 0.00 55.95 57.93 1r3h s SER 8061Cb 0.00 -2.48 0.02 0.00 0.10 0.00 0.00 66.02 63.66 1r3h s SER 8061CO 0.00 0.16 0.93 -0.36 0.98 0.00 0.00 173.24 174.96 1r3h s PHE 8062N -0.84 3.15 -0.10 5.02 0.40 0.30 0.11 117.98 126.02 1r3h s PHE 8062Ca 0.36 0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 57.15 1r3h s PHE 8062Cb -0.22 -2.88 0.03 0.00 0.51 0.00 0.00 43.02 40.46 1r3h s PHE 8062CO 0.25 -1.00 0.32 1.52 0.70 0.00 0.00 175.22 177.01 1r3h s TYR 8063N -3.07 -0.31 -0.01 0.36 -0.85 0.07 -3.40 117.35 110.16 1r3h s TYR 8063Ca 0.56 0.72 0.01 0.00 -0.52 0.00 0.00 57.07 57.83 1r3h s TYR 8063Cb -0.11 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.35 1r3h s TYR 8063CO 0.45 -0.22 -0.02 -0.51 -1.52 0.00 0.00 175.55 173.72 1r3h s LEU 8064N -0.19 1.91 -0.44 -3.49 1.43 0.21 -3.76 118.68 114.35 1r3h s LEU 8064Ca -0.03 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1r3h s LEU 8064Cb -0.03 -0.15 0.08 0.00 0.03 0.00 0.00 46.19 46.11 1r3h s LEU 8064CO 0.01 0.02 0.31 -0.22 0.23 0.00 0.00 176.35 176.70 1r3h s LEU 8065N 0.06 5.31 -0.15 1.79 2.96 -1.26 -0.66 118.68 126.72 1r3h s LEU 8065Ca -0.00 -1.43 -0.16 0.00 -0.22 0.00 0.00 54.13 52.32 1r3h s LEU 8065Cb -0.03 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1r3h s LEU 8065CO -0.00 -0.57 0.38 -0.31 -1.32 0.00 0.00 176.35 174.52 1r3h s TYR 8066N 1.50 3.46 0.15 5.38 1.51 0.43 -2.58 117.35 127.20 1r3h s TYR 8066Ca 0.03 0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 56.79 1r3h s TYR 8066Cb -0.23 -2.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.17 1r3h s TYR 8066CO 0.04 0.17 0.21 2.48 -1.11 0.00 0.00 175.55 177.33 1r3h n TYR 8067N 3.78 -0.89 -3.61 2.71 4.11 -1.22 0.98 117.16 123.02 1r3h n TYR 8067Ca -0.09 -0.96 0.02 0.00 -0.00 0.00 0.00 57.90 56.87 1r3h n TYR 8067Cb 0.52 0.24 -0.00 0.00 -0.00 0.00 0.00 39.34 40.09 1r3h n TYR 8067CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1r3h s THR 8068N -2.59 0.00 -0.22 -3.48 -1.32 -0.98 -2.96 115.64 104.09 1r3h s THR 8068Ca 0.12 -0.15 -0.16 0.00 -1.21 0.00 0.00 61.69 60.28 1r3h s THR 8068Cb -0.00 -2.03 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 1r3h s THR 8068CO 0.08 0.00 0.41 -0.70 -2.21 0.00 0.00 174.62 172.21 1r3h s GLU 8069N -2.29 4.14 0.35 7.08 2.12 -1.26 -2.16 118.70 126.69 1r3h s GLU 8069Ca 0.15 0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.73 1r3h s GLU 8069Cb 0.06 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1r3h s GLU 8069CO -0.05 -0.11 0.21 -0.59 -0.54 0.00 0.00 175.26 174.18 1r3h s PHE 8070N 1.53 1.73 -0.20 5.30 -0.71 -0.76 -4.88 117.98 119.99 1r3h s PHE 8070Ca 0.19 -1.50 -0.04 0.00 -1.04 0.00 0.00 56.93 54.54 1r3h s PHE 8070Cb -0.15 -0.88 0.08 0.00 -1.21 0.00 0.00 43.02 40.86 1r3h s PHE 8070CO 0.08 -0.63 0.17 0.95 -1.34 0.00 0.00 175.22 174.45 1r3h s THR 8071N -3.40 -0.22 0.28 -4.49 -4.23 -1.26 0.16 115.64 102.48 1r3h s THR 8071Ca 0.34 -0.18 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 1r3h s THR 8071Cb 0.03 -0.66 -0.11 0.00 1.34 0.00 0.00 72.50 73.09 1r3h s THR 8071CO 0.22 -0.27 1.61 -2.16 -0.54 0.00 0.00 174.62 173.48 1r3h s PRO 8072N 2.24 4.12 0.12 3.99 0.04 -1.25 -4.80 135.00 139.46 1r3h s PRO 8072Ca 0.05 2.59 0.01 0.00 0.04 0.00 0.00 61.00 63.69 1r3h s PRO 8072Cb -0.16 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1r3h s PRO 8072CO -0.13 -0.65 -0.03 0.95 0.04 0.00 0.00 177.00 177.18 1r3h s THR 8073N 0.15 0.60 -0.50 1.26 -4.23 -1.26 -0.95 115.64 110.70 1r3h s THR 8073Ca 0.65 -1.94 0.22 0.00 -1.18 0.00 0.00 61.69 59.44 1r3h s THR 8073Cb -0.48 -1.85 0.23 0.00 1.34 0.00 0.00 72.50 71.74 1r3h s THR 8073CO 0.46 -0.71 1.67 -0.62 -0.54 0.00 0.00 174.62 174.88 1r3h n GLU 8074N -0.10 0.17 -0.09 3.99 1.02 -1.26 -3.92 120.64 120.45 1r3h n GLU 8074Ca -0.10 0.43 -0.09 0.00 -0.02 0.00 0.00 57.16 57.38 1r3h n GLU 8074Cb 0.62 -1.85 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 1r3h n GLU 8074CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r3h n LYS 8075N -2.17 0.52 -2.04 3.49 4.01 -1.26 -5.00 118.16 115.71 1r3h n LYS 8075Ca 0.02 0.29 -0.40 0.00 -0.51 0.00 0.00 58.31 57.70 1r3h n LYS 8075Cb 0.20 -1.49 -0.01 0.00 -0.51 0.00 0.00 35.03 33.22 1r3h n LYS 8075CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1r3h s ASP 8076N -5.97 6.40 -0.04 4.39 1.01 -1.25 -5.03 116.67 116.18 1r3h s ASP 8076Ca -0.27 2.70 0.06 0.00 0.71 0.00 0.00 52.55 55.76 1r3h s ASP 8076Cb 0.04 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1r3h s ASP 8076CO 0.39 -0.79 -0.22 -0.70 0.21 0.00 0.00 175.17 174.05 1r3h s GLU 8077N -2.14 2.06 0.30 8.23 2.56 -1.26 -4.66 118.70 123.79 1r3h s GLU 8077Ca 0.55 -0.80 0.09 0.00 0.00 0.00 0.00 54.97 54.81 1r3h s GLU 8077Cb -0.39 -1.86 -0.06 0.00 2.00 0.00 0.00 34.13 33.82 1r3h s GLU 8077CO 0.51 0.40 -0.11 0.71 -0.56 0.00 0.00 175.26 176.22 1r3h s TYR 8078N -0.29 2.18 0.32 5.30 2.02 -1.26 0.19 117.35 125.80 1r3h s TYR 8078Ca 0.02 -0.54 -0.16 0.00 -0.37 0.00 0.00 57.07 56.03 1r3h s TYR 8078Cb -0.11 -1.17 0.06 0.00 -0.40 0.00 0.00 41.96 40.34 1r3h s TYR 8078CO 0.01 0.49 0.82 0.00 -1.57 0.00 0.00 175.55 175.30 1r3h n ALA 8079N -0.66 -1.93 -3.67 3.71 0.00 -1.03 -3.16 120.51 113.78 1r3h n ALA 8079Ca -0.05 -1.14 -0.15 0.00 0.00 0.00 0.00 53.44 52.10 1r3h n ALA 8079Cb 0.63 0.84 -0.14 0.00 0.00 0.00 0.00 19.45 20.77 1r3h n ALA 8079CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r3h s ARG 8081N 2.34 4.16 -0.05 0.00 3.52 -0.99 -1.21 118.95 126.72 1r3h s ARG 8081Ca 0.02 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.39 1r3h s ARG 8081Cb -0.12 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 1r3h s ARG 8081CO -0.07 0.28 -0.05 0.08 -0.81 0.00 0.00 175.30 174.72 1r3h s VAL 8082N 0.42 0.61 -0.23 7.11 1.01 0.50 -2.02 120.40 127.79 1r3h s VAL 8082Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1r3h s VAL 8082Cb -0.11 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1r3h s VAL 8082CO -0.01 0.25 -0.07 0.20 0.00 0.00 0.00 175.10 175.46 1r3h s ASN 8083N 1.00 4.13 0.04 3.32 -0.87 -0.94 0.56 114.94 122.17 1r3h s ASN 8083Ca -0.10 -0.64 -0.00 0.00 -1.57 0.00 0.00 52.86 50.55 1r3h s ASN 8083Cb -0.14 -1.67 -0.03 0.00 -0.02 0.00 0.00 41.25 39.39 1r3h s ASN 8083CO -0.00 -0.07 -0.04 -2.28 -2.57 0.00 0.00 177.10 172.15 1r3h s HIS 8084N 1.38 0.41 0.55 2.20 2.46 -1.26 -2.67 115.29 118.37 1r3h s HIS 8084Ca 0.03 -0.73 0.30 0.00 0.47 0.00 0.00 55.06 55.13 1r3h s HIS 8084Cb -0.15 -0.29 1.46 0.00 -0.13 0.00 0.00 32.58 33.47 1r3h s HIS 8084CO -0.05 -0.24 1.90 0.28 -2.47 0.00 0.00 174.74 174.15 1r3h h VAL 8085N 4.04 0.51 -0.26 0.89 2.07 -1.93 0.25 116.25 121.83 1r3h h VAL 8085Ca -0.33 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 1r3h h VAL 8085Cb 1.18 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1r3h h VAL 8085CO 0.51 0.00 0.17 0.35 0.02 0.00 0.00 177.57 178.62 1r3h n THR 8086N -4.10 1.56 -3.92 2.57 -2.24 -1.26 -4.79 114.28 102.09 1r3h n THR 8086Ca 0.14 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.27 1r3h n THR 8086Cb 0.83 -0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 68.05 1r3h n THR 8086CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r3h s LEU 8087N -0.85 1.42 0.23 3.22 1.43 0.88 -4.98 118.68 120.02 1r3h s LEU 8087Ca 0.15 -0.02 0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1r3h s LEU 8087Cb 0.12 -0.16 0.10 0.00 0.03 0.00 0.00 46.19 46.29 1r3h s LEU 8087CO 0.03 -0.06 1.45 -1.28 0.23 0.00 0.00 176.35 176.72 1r3h h SER 8088N 6.89 0.00 -5.21 2.29 0.87 -1.86 -3.45 113.55 113.08 1r3h h SER 8088Ca -0.38 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.07 1r3h h SER 8088Cb 1.15 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.97 1r3h h SER 8088CO 0.49 0.71 -0.51 0.00 -0.53 0.00 0.00 176.83 176.98 1r3h s GLN 8089N -3.08 0.77 0.21 2.24 -2.07 -1.26 -5.13 119.66 111.34 1r3h s GLN 8089Ca 0.01 -1.10 -0.32 0.00 -1.82 0.00 0.00 55.36 52.13 1r3h s GLN 8089Cb 0.10 0.28 -0.13 0.00 -1.09 0.00 0.00 33.01 32.18 1r3h s GLN 8089CO 0.77 -0.21 1.62 -2.30 -1.32 0.00 0.00 175.29 173.85 1r3h n PRO 8090N -0.00 2.48 -3.38 9.60 -0.02 -1.26 -4.86 135.00 137.56 1r3h n PRO 8090Ca -0.14 0.89 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 1r3h n PRO 8090Cb 0.62 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 1r3h n PRO 8090CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1r3h s LYS 8091N 0.60 4.12 -0.15 -0.52 2.47 0.19 -4.78 119.74 121.68 1r3h s LYS 8091Ca 0.73 0.16 0.01 0.00 -1.56 0.00 0.00 55.97 55.32 1r3h s LYS 8091Cb -0.58 -3.57 0.00 0.00 -1.46 0.00 0.00 37.83 32.22 1r3h s LYS 8091CO 0.39 -0.12 -0.18 0.42 0.16 0.00 0.00 175.35 176.02 1r3h s ILE 8092N 1.57 2.43 -0.05 5.43 -1.09 -1.25 0.19 121.20 128.43 1r3h s ILE 8092Ca 0.18 -0.85 0.05 0.00 -2.23 0.00 0.00 60.65 57.81 1r3h s ILE 8092Cb -0.15 -2.01 -0.02 0.00 -1.58 0.00 0.00 42.46 38.70 1r3h s ILE 8092CO 0.08 0.53 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.42 1r3h s VAL 8093N 0.88 2.47 0.26 2.92 1.01 -0.35 -4.94 120.40 122.65 1r3h s VAL 8093Ca -0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1r3h s VAL 8093Cb -0.15 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1r3h s VAL 8093CO -0.02 0.58 0.36 0.29 0.00 0.00 0.00 175.10 176.31 1r3h n LYS 8094N 2.60 -0.10 -3.80 2.72 5.02 -1.26 -1.52 118.16 121.82 1r3h n LYS 8094Ca -0.17 -0.68 -0.30 0.00 -2.02 0.00 0.00 58.31 55.14 1r3h n LYS 8094Cb 0.52 -0.33 -0.15 0.00 -0.02 0.00 0.00 35.03 35.05 1r3h n LYS 8094CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1r3h s TRP 8095N -1.45 2.02 -0.67 2.13 -0.00 -1.19 -4.71 118.94 115.07 1r3h s TRP 8095Ca 0.21 -1.83 -0.27 0.00 -0.00 0.00 0.00 56.10 54.21 1r3h s TRP 8095Cb -0.01 -1.80 0.01 0.00 -0.00 0.00 0.00 33.47 31.67 1r3h s TRP 8095CO 0.15 -0.85 1.53 0.34 -0.00 0.00 0.00 176.95 178.12 1r3h s ASP 8096N 1.51 5.80 0.01 5.86 3.68 -1.26 -4.89 116.67 127.39 1r3h s ASP 8096Ca 0.07 -0.06 -0.03 0.00 2.13 0.00 0.00 52.55 54.66 1r3h s ASP 8096Cb -0.18 -2.55 -0.01 0.00 -1.45 0.00 0.00 42.92 38.74 1r3h s ASP 8096CO -0.19 -2.04 0.19 0.54 0.13 0.00 0.00 175.17 173.81 1r3h n ARG 8097N 9.23 -0.04 -0.00 4.34 5.12 -1.26 0.10 116.66 134.15 1r3h n ARG 8097Ca 0.11 0.19 -0.17 0.00 -1.93 0.00 0.00 57.85 56.05 1r3h n ARG 8097Cb 0.50 -0.28 -0.11 0.00 -1.16 0.00 0.00 32.46 31.41 1r3h n ARG 8097CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1r3h h ASP 8098N 0.00 0.41 0.00 0.55 2.03 -1.99 -3.43 116.42 113.99 1r3h h ASP 8098Ca 0.01 -0.78 0.00 0.00 -0.73 0.00 0.00 57.03 55.53 1r3h h ASP 8098Cb 0.04 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.41 1r3h h ASP 8098CO -0.08 1.14 0.00 0.80 -1.03 0.00 0.00 179.24 180.07