#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3h s GLN 6002N 0.00 0.06 -0.03 9.51 -0.21 -1.26 -4.71 119.66 123.02 1r3h s GLN 6002Ca 0.00 -0.03 0.03 0.00 0.02 0.00 0.00 55.36 55.38 1r3h s GLN 6002Cb 0.00 -1.69 -0.03 0.00 1.00 0.00 0.00 33.01 32.29 1r3h s GLN 6002CO 0.00 -0.64 -0.10 1.03 -2.12 0.00 0.00 175.29 173.46 1r3h s ARG 6003N 2.15 2.55 -0.10 2.91 0.52 -0.22 -4.98 118.95 121.78 1r3h s ARG 6003Ca 0.03 -0.69 -0.11 0.00 -0.52 0.00 0.00 55.73 54.43 1r3h s ARG 6003Cb -0.16 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 1r3h s ARG 6003CO -0.09 0.62 0.26 -0.08 0.02 0.00 0.00 175.30 176.03 1r3h s THR 6004N -0.87 5.30 0.78 0.02 -1.32 -1.26 -1.75 115.64 116.54 1r3h s THR 6004Ca 0.14 0.49 -0.11 0.00 -1.21 0.00 0.00 61.69 61.00 1r3h s THR 6004Cb -0.11 -3.56 0.06 0.00 -1.51 0.00 0.00 72.50 67.37 1r3h s THR 6004CO 0.04 0.53 1.08 -2.16 -2.21 0.00 0.00 174.62 171.90 1r3h s PRO 6005N -0.50 2.24 -0.35 7.08 0.04 -1.26 -4.39 135.00 137.87 1r3h s PRO 6005Ca 0.17 0.98 -0.05 0.00 0.04 0.00 0.00 61.00 62.15 1r3h s PRO 6005Cb -0.14 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1r3h s PRO 6005CO 0.06 -1.60 0.11 0.15 0.04 0.00 0.00 177.00 175.76 1r3h s LYS 6006N -4.98 2.44 -0.23 4.56 1.02 0.16 -4.89 119.74 117.83 1r3h s LYS 6006Ca 0.61 -1.35 -0.08 0.00 0.02 0.00 0.00 55.97 55.16 1r3h s LYS 6006Cb -0.16 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1r3h s LYS 6006CO 0.56 -0.76 0.09 0.42 -0.92 0.00 0.00 175.35 174.74 1r3h s ILE 6007N 1.31 4.63 -0.05 2.17 -1.09 -1.26 -2.71 121.20 124.20 1r3h s ILE 6007Ca -0.01 -0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.36 1r3h s ILE 6007Cb -0.21 -3.14 0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1r3h s ILE 6007CO 0.00 0.37 -0.09 -1.10 -1.23 0.00 0.00 174.94 172.89 1r3h s GLN 6008N 1.20 1.26 -0.26 2.79 -0.21 -1.21 -4.97 119.66 118.26 1r3h s GLN 6008Ca 0.05 -0.29 -0.04 0.00 0.02 0.00 0.00 55.36 55.10 1r3h s GLN 6008Cb -0.14 -1.11 0.01 0.00 1.00 0.00 0.00 33.01 32.76 1r3h s GLN 6008CO 0.04 0.01 -0.00 0.08 -2.12 0.00 0.00 175.29 173.30 1r3h s VAL 6009N 0.63 3.44 0.26 1.09 1.01 -1.26 -1.68 120.40 123.90 1r3h s VAL 6009Ca -0.11 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1r3h s VAL 6009Cb -0.14 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1r3h s VAL 6009CO 0.02 0.21 0.18 -0.72 0.00 0.00 0.00 175.10 174.79 1r3h s TYR 6010N 1.44 1.43 -0.11 5.22 -0.85 -0.77 -4.67 117.35 119.05 1r3h s TYR 6010Ca 0.03 -1.45 0.01 0.00 -0.52 0.00 0.00 57.07 55.13 1r3h s TYR 6010Cb -0.16 -0.68 -0.02 0.00 0.38 0.00 0.00 41.96 41.48 1r3h s TYR 6010CO -0.01 -0.67 -0.13 -1.54 -1.52 0.00 0.00 175.55 171.67 1r3h s SER 6011N -3.27 4.06 0.57 -0.18 1.04 -1.26 -0.83 113.70 113.83 1r3h s SER 6011Ca 0.39 -0.27 0.31 0.00 0.48 0.00 0.00 55.95 56.85 1r3h s SER 6011Cb 0.05 -1.38 1.43 0.00 0.10 0.00 0.00 66.02 66.22 1r3h s SER 6011CO 0.18 0.22 1.80 -0.09 0.98 0.00 0.00 173.24 176.34 1r3h h ARG 6012N 6.26 0.00 -4.35 4.02 2.43 -1.69 -3.43 114.38 117.62 1r3h h ARG 6012Ca -0.33 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.62 1r3h h ARG 6012Cb 1.19 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.62 1r3h h ARG 6012CO 0.54 0.00 -0.44 -1.01 -1.51 0.00 0.00 179.97 177.55 1r3h s HIS 6013N -4.72 1.03 0.50 2.20 3.76 -1.26 -5.05 115.29 111.74 1r3h s HIS 6013Ca -0.04 -1.25 -0.22 0.00 -0.15 0.00 0.00 55.06 53.40 1r3h s HIS 6013Cb 0.18 -0.35 -0.08 0.00 1.11 0.00 0.00 32.58 33.45 1r3h s HIS 6013CO 0.63 -0.81 1.10 -2.30 -0.85 0.00 0.00 174.74 172.51 1r3h n PRO 6014N -0.37 1.38 -3.06 8.40 -0.02 -1.26 -4.91 135.00 135.16 1r3h n PRO 6014Ca 0.02 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 1r3h n PRO 6014Cb 0.64 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 1r3h n PRO 6014CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r3h s ALA 6015N -1.34 3.53 -0.03 3.55 0.00 -1.26 -5.03 121.76 121.18 1r3h s ALA 6015Ca 0.68 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1r3h s ALA 6015Cb -0.48 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.48 1r3h s ALA 6015CO 0.53 -1.12 -0.09 -2.00 0.00 0.00 0.00 175.76 173.09 1r3h s GLU 6016N 2.73 1.04 0.33 0.00 2.12 -1.26 -5.10 118.70 118.56 1r3h s GLU 6016Ca 0.28 -0.28 -0.29 0.00 0.36 0.00 0.00 54.97 55.04 1r3h s GLU 6016Cb -0.15 -0.96 -0.12 0.00 0.26 0.00 0.00 34.13 33.16 1r3h s GLU 6016CO 0.12 0.07 1.36 0.09 -0.54 0.00 0.00 175.26 176.36 1r3h n ASN 6017N 3.50 3.03 0.00 -1.70 5.03 -1.25 -2.41 115.26 121.46 1r3h n ASN 6017Ca -0.20 1.20 0.00 0.00 0.87 0.00 0.00 54.58 56.45 1r3h n ASN 6017Cb 0.53 -1.51 0.00 0.00 -1.02 0.00 0.00 39.78 37.78 1r3h n ASN 6017CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r3h n GLY 6018N 0.98 2.50 3.53 7.41 0.00 -1.23 -4.95 105.19 113.44 1r3h n GLY 6018Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1r3h n GLY 6018CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3h s LYS 6019N 0.00 3.48 0.92 1.61 1.02 -1.01 -5.04 119.74 120.73 1r3h s LYS 6019Ca 0.00 -0.50 -0.16 0.00 0.02 0.00 0.00 55.97 55.33 1r3h s LYS 6019Cb 0.00 -3.83 -0.09 0.00 -0.52 0.00 0.00 37.83 33.39 1r3h s LYS 6019CO 0.00 -0.56 -0.30 0.45 -0.92 0.00 0.00 175.35 174.02 1r3h n SER 6020N 5.37 -4.35 0.00 2.83 2.88 -1.26 -4.51 113.62 114.57 1r3h n SER 6020Ca -0.09 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1r3h n SER 6020Cb 0.49 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1r3h n SER 6020CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1r3h n ASN 6021N 1.76 3.04 -3.60 -3.46 2.85 0.49 -4.91 115.26 111.43 1r3h n ASN 6021Ca 0.02 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.47 1r3h n ASN 6021Cb 0.54 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.50 1r3h n ASN 6021CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1r3h s PHE 6022N -0.09 -0.71 -0.21 1.20 0.40 -1.26 -2.26 117.98 115.05 1r3h s PHE 6022Ca 0.00 1.38 -0.08 0.00 -0.60 0.00 0.00 56.93 57.62 1r3h s PHE 6022Cb 0.00 0.43 -0.04 0.00 0.51 0.00 0.00 43.02 43.92 1r3h s PHE 6022CO 0.00 -0.35 0.10 -1.17 0.70 0.00 0.00 175.22 174.49 1r3h s LEU 6023N 1.66 3.85 0.06 -0.37 2.96 -0.51 -1.61 118.68 124.72 1r3h s LEU 6023Ca -0.08 0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 1r3h s LEU 6023Cb -0.05 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1r3h s LEU 6023CO -0.16 0.10 -0.13 0.20 -1.32 0.00 0.00 176.35 175.04 1r3h s ASN 6024N 0.85 4.21 -0.23 3.68 -0.87 -0.01 -2.56 114.94 120.00 1r3h s ASN 6024Ca 0.05 -0.36 0.01 0.00 -1.57 0.00 0.00 52.86 50.99 1r3h s ASN 6024Cb -0.13 -0.80 0.06 0.00 -0.02 0.00 0.00 41.25 40.36 1r3h s ASN 6024CO 0.03 0.23 -0.05 0.00 -2.57 0.00 0.00 177.10 174.74 1r3h s TYR 6026N 1.41 3.45 0.20 0.00 5.04 -0.67 -1.79 117.35 124.99 1r3h s TYR 6026Ca -0.05 -1.85 -0.15 0.00 -2.44 0.00 0.00 57.07 52.57 1r3h s TYR 6026Cb -0.19 -3.61 -0.08 0.00 0.35 0.00 0.00 41.96 38.44 1r3h s TYR 6026CO -0.06 -0.98 0.63 0.08 -1.34 0.00 0.00 175.55 173.87 1r3h s VAL 6027N 1.01 4.75 -0.09 3.14 1.01 -1.11 -3.34 120.40 125.77 1r3h s VAL 6027Ca 0.09 0.94 -0.32 0.00 0.00 0.00 0.00 61.98 62.69 1r3h s VAL 6027Cb -0.23 -3.74 0.12 0.00 0.00 0.00 0.00 36.38 32.53 1r3h s VAL 6027CO -0.02 0.14 1.10 -0.94 0.00 0.00 0.00 175.10 175.38 1r3h s SER 6028N -1.84 -0.21 -0.12 3.32 1.04 -1.10 -1.74 113.70 113.06 1r3h s SER 6028Ca 0.42 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1r3h s SER 6028Cb -0.14 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1r3h s SER 6028CO 0.20 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1r3h n GLY 6029N -0.20 0.50 3.82 7.32 0.00 -1.23 0.40 105.19 115.80 1r3h n GLY 6029Ca -0.04 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 1r3h n GLY 6029CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r3h s PHE 6030N -2.01 2.72 0.00 1.61 -0.12 -1.24 -4.21 117.98 114.74 1r3h s PHE 6030Ca 0.00 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.41 1r3h s PHE 6030Cb 0.00 -1.99 0.00 0.00 -0.63 0.00 0.00 43.02 40.40 1r3h s PHE 6030CO 0.00 0.06 0.00 1.58 -0.05 0.00 0.00 175.22 176.81 1r3h n HIS 6031N -1.39 0.00 -1.19 3.49 -0.00 -0.72 -0.98 115.22 114.44 1r3h n HIS 6031Ca 0.01 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.89 1r3h n HIS 6031Cb 0.62 0.00 0.14 0.00 -0.12 0.00 0.00 29.99 30.63 1r3h n HIS 6031CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1r3h s PRO 6032N 0.00 1.27 0.59 1.57 0.04 -1.26 -1.06 135.00 136.15 1r3h s PRO 6032Ca 0.00 0.85 0.29 0.00 0.04 0.00 0.00 61.00 62.18 1r3h s PRO 6032Cb 0.00 -1.81 1.69 0.00 0.04 0.00 0.00 34.50 34.43 1r3h s PRO 6032CO 0.00 -2.24 2.15 0.66 0.04 0.00 0.00 177.00 177.61 1r3h h SER 6033N -1.55 0.00 -0.29 6.66 4.64 -1.99 -3.40 113.55 117.61 1r3h h SER 6033Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1r3h h SER 6033Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1r3h h SER 6033CO 0.54 0.00 0.17 -0.67 -0.87 0.00 0.00 176.83 176.00 1r3h n ASP 6034N -3.84 1.50 -4.37 4.97 2.03 -1.26 -4.88 116.55 110.69 1r3h n ASP 6034Ca 0.00 -1.49 -0.19 0.00 0.52 0.00 0.00 54.79 53.63 1r3h n ASP 6034Cb 0.25 -1.58 -0.10 0.00 -0.72 0.00 0.00 41.12 38.97 1r3h n ASP 6034CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1r3h s ILE 6035N 13.83 1.47 -0.13 5.18 2.07 -1.26 -4.52 121.20 137.83 1r3h s ILE 6035Ca 0.95 -2.11 -0.03 0.00 -1.41 0.00 0.00 60.65 58.04 1r3h s ILE 6035Cb -0.18 -2.30 0.05 0.00 0.13 0.00 0.00 42.46 40.15 1r3h s ILE 6035CO 0.13 -0.39 0.05 -0.70 -1.91 0.00 0.00 174.94 172.11 1r3h s GLU 6036N -3.75 0.31 -0.08 3.50 2.12 -0.36 -5.02 118.70 115.43 1r3h s GLU 6036Ca 0.27 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.56 1r3h s GLU 6036Cb 0.03 -1.48 0.02 0.00 0.26 0.00 0.00 34.13 32.97 1r3h s GLU 6036CO 0.09 -0.52 -0.07 0.08 -0.54 0.00 0.00 175.26 174.30 1r3h s VAL 6037N 2.04 0.83 -0.02 3.70 1.01 -1.26 -0.12 120.40 126.57 1r3h s VAL 6037Ca 0.02 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1r3h s VAL 6037Cb -0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1r3h s VAL 6037CO -0.07 0.31 -0.19 -1.81 0.00 0.00 0.00 175.10 173.34 1r3h s ASP 6038N 1.30 2.29 0.11 3.32 1.01 -0.64 -5.00 116.67 119.06 1r3h s ASP 6038Ca -0.04 -0.36 -0.18 0.00 0.71 0.00 0.00 52.55 52.69 1r3h s ASP 6038Cb -0.14 -0.34 -0.07 0.00 1.01 0.00 0.00 42.92 43.38 1r3h s ASP 6038CO -0.03 0.22 0.58 -0.76 0.21 0.00 0.00 175.17 175.39 1r3h s LEU 6039N -0.35 4.45 -0.10 1.23 1.43 -1.26 -1.51 118.68 122.56 1r3h s LEU 6039Ca 0.05 1.22 0.04 0.00 -1.03 0.00 0.00 54.13 54.40 1r3h s LEU 6039Cb -0.08 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1r3h s LEU 6039CO -0.00 0.19 -0.22 -0.76 0.23 0.00 0.00 176.35 175.79 1r3h s LEU 6040N -1.48 2.03 -0.75 1.79 1.43 -0.39 0.82 118.68 122.11 1r3h s LEU 6040Ca 0.33 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1r3h s LEU 6040Cb -0.18 -1.33 0.19 0.00 0.03 0.00 0.00 46.19 44.90 1r3h s LEU 6040CO 0.19 0.14 0.60 -0.75 0.23 0.00 0.00 176.35 176.76 1r3h s LYS 6041N 0.42 2.90 -0.47 1.70 2.20 0.25 -1.88 119.74 124.86 1r3h s LYS 6041Ca -0.18 -2.92 -0.00 0.00 -0.36 0.00 0.00 55.97 52.51 1r3h s LYS 6041Cb -0.18 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1r3h s LYS 6041CO 0.08 -1.22 0.39 0.09 -0.36 0.00 0.00 175.35 174.32 1r3h n ASN 6042N 2.87 -2.26 0.00 1.43 3.02 0.52 -3.64 115.26 117.21 1r3h n ASN 6042Ca 0.15 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1r3h n ASN 6042Cb 0.37 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.28 1r3h n ASN 6042CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r3h n GLY 6043N -1.05 3.20 3.86 7.41 0.00 -1.26 -5.03 105.19 112.32 1r3h n GLY 6043Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1r3h n GLY 6043CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r3h s GLU 6044N -0.47 3.16 0.21 1.61 -1.05 -1.24 -5.03 118.70 115.89 1r3h s GLU 6044Ca 0.00 -0.68 -0.28 0.00 -0.15 0.00 0.00 54.97 53.86 1r3h s GLU 6044Cb 0.00 -2.83 -0.09 0.00 -0.44 0.00 0.00 34.13 30.78 1r3h s GLU 6044CO 0.00 0.53 0.86 0.50 0.95 0.00 0.00 175.26 178.10 1r3h s ARG 6045N -2.93 4.71 -0.05 -4.83 3.52 -1.26 0.88 118.95 118.98 1r3h s ARG 6045Ca 0.32 1.32 -0.27 0.00 -0.13 0.00 0.00 55.73 56.97 1r3h s ARG 6045Cb -0.11 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1r3h s ARG 6045CO 0.26 0.54 0.89 0.42 -0.81 0.00 0.00 175.30 176.59 1r3h s ILE 6046N -1.19 4.91 0.12 4.11 1.01 0.24 -4.83 121.20 125.57 1r3h s ILE 6046Ca 0.39 1.83 -0.17 0.00 0.00 0.00 0.00 60.65 62.70 1r3h s ILE 6046Cb -0.24 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1r3h s ILE 6046CO 0.29 0.15 1.66 -0.08 0.00 0.00 0.00 174.94 176.96 1r3h h GLU 6047N 6.89 0.49 -4.42 2.79 4.81 -1.96 -3.41 114.58 119.78 1r3h h GLU 6047Ca -0.38 -0.09 -0.71 0.00 -0.13 0.00 0.00 59.36 58.04 1r3h h GLU 6047Cb 1.19 -0.08 -0.30 0.00 0.63 0.00 0.00 28.75 30.20 1r3h h GLU 6047CO 0.77 0.50 -0.46 0.21 -0.73 0.00 0.00 179.01 179.30 1r3h s LYS 6048N -5.52 2.47 -0.04 1.92 2.36 -1.26 -5.05 119.74 114.61 1r3h s LYS 6048Ca -0.13 -1.61 0.01 0.00 -2.55 0.00 0.00 55.97 51.69 1r3h s LYS 6048Cb 0.09 -3.78 0.02 0.00 -1.05 0.00 0.00 37.83 33.11 1r3h s LYS 6048CO 0.74 -1.04 -0.05 0.08 1.55 0.00 0.00 175.35 176.63 1r3h s VAL 6049N 1.36 0.58 -0.02 4.02 1.01 -1.26 -4.85 120.40 121.23 1r3h s VAL 6049Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1r3h s VAL 6049Cb -0.24 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1r3h s VAL 6049CO 0.00 0.23 0.01 -1.61 0.00 0.00 0.00 175.10 173.73 1r3h s GLU 6050N 0.82 2.86 0.24 2.72 2.02 -0.83 -4.94 118.70 121.58 1r3h s GLU 6050Ca -0.11 -0.55 0.09 0.00 0.02 0.00 0.00 54.97 54.41 1r3h s GLU 6050Cb -0.14 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 1r3h s GLU 6050CO 0.01 0.65 -0.14 -3.38 0.02 0.00 0.00 175.26 172.41 1r3h s HIS 6051N -1.04 1.90 0.00 1.61 -3.43 -1.26 0.07 115.29 113.14 1r3h s HIS 6051Ca 0.18 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 1r3h s HIS 6051Cb -0.11 -0.90 0.00 0.00 -1.43 0.00 0.00 32.58 30.14 1r3h s HIS 6051CO 0.08 0.44 0.00 -1.13 -2.00 0.00 0.00 174.74 172.13 1r3h n SER 6052N -0.48 -0.07 -4.83 7.38 3.41 -0.47 -4.99 113.62 113.58 1r3h n SER 6052Ca -0.07 -0.97 -0.36 0.00 -0.26 0.00 0.00 58.87 57.22 1r3h n SER 6052Cb 0.61 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1r3h n SER 6052CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1r3h s ASP 6053N -1.03 6.93 -0.01 4.04 1.01 -1.26 -4.84 116.67 121.51 1r3h s ASP 6053Ca 0.00 1.20 -0.30 0.00 0.71 0.00 0.00 52.55 54.16 1r3h s ASP 6053Cb 0.00 -2.34 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 1r3h s ASP 6053CO 0.00 0.11 1.81 -0.22 0.21 0.00 0.00 175.17 177.08 1r3h s LEU 6054N -1.82 4.37 0.06 1.23 2.96 -1.26 -4.90 118.68 119.31 1r3h s LEU 6054Ca 0.38 2.44 0.02 0.00 -0.22 0.00 0.00 54.13 56.74 1r3h s LEU 6054Cb -0.16 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1r3h s LEU 6054CO 0.20 -1.00 -0.07 -0.55 -1.32 0.00 0.00 176.35 173.61 1r3h s SER 6055N 3.93 0.91 0.04 3.68 0.15 -1.24 -5.06 113.70 116.10 1r3h s SER 6055Ca 0.81 -0.73 0.05 0.00 0.70 0.00 0.00 55.95 56.78 1r3h s SER 6055Cb -0.38 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.96 1r3h s SER 6055CO 0.35 -0.32 -0.08 0.72 1.20 0.00 0.00 173.24 175.11 1r3h s PHE 6056N -2.30 2.82 0.74 3.44 -0.12 -1.26 -1.11 117.98 120.19 1r3h s PHE 6056Ca -0.02 -0.09 -0.12 0.00 -0.05 0.00 0.00 56.93 56.65 1r3h s PHE 6056Cb -0.04 -1.54 0.19 0.00 -0.63 0.00 0.00 43.02 41.00 1r3h s PHE 6056CO -0.02 0.38 0.48 0.43 -0.05 0.00 0.00 175.22 176.44 1r3h n SER 6057N 1.26 -2.77 0.27 1.98 7.64 0.29 -4.81 113.62 117.48 1r3h n SER 6057Ca -0.15 -0.55 0.12 0.00 1.01 0.00 0.00 58.87 59.30 1r3h n SER 6057Cb 0.52 -0.52 0.74 0.00 -1.01 0.00 0.00 64.21 63.94 1r3h n SER 6057CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1r3h h LYS 6058N 0.00 0.00 -0.63 1.43 1.79 -2.00 -2.90 116.57 114.26 1r3h h LYS 6058Ca -0.21 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.92 1r3h h LYS 6058Cb 0.69 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.14 1r3h h LYS 6058CO 0.13 0.08 0.20 -0.40 -1.08 0.00 0.00 179.45 178.37 1r3h n ASP 6059N -3.95 3.28 0.00 0.86 5.75 -1.26 -4.93 116.55 116.29 1r3h n ASP 6059Ca -0.02 -3.73 0.00 0.00 -0.01 0.00 0.00 54.79 51.02 1r3h n ASP 6059Cb 0.17 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 1r3h n ASP 6059CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1r3h n TRP 6060N -1.11 0.00 -1.70 2.11 7.02 -1.10 -4.95 117.44 117.71 1r3h n TRP 6060Ca 0.45 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.50 1r3h n TRP 6060Cb 1.24 -0.05 -0.03 0.00 -2.42 0.00 0.00 31.31 30.04 1r3h n TRP 6060CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1r3h n SER 6061N 0.33 3.89 -4.83 -0.99 3.41 -1.26 -4.56 113.62 109.61 1r3h n SER 6061Ca 0.00 1.03 -0.33 0.00 -0.26 0.00 0.00 58.87 59.31 1r3h n SER 6061Cb 0.00 -1.54 -0.06 0.00 -0.26 0.00 0.00 64.21 62.35 1r3h n SER 6061CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1r3h s PHE 6062N 1.87 3.35 0.19 7.33 0.40 -0.15 0.10 117.98 131.07 1r3h s PHE 6062Ca 0.79 1.53 0.05 0.00 -0.60 0.00 0.00 56.93 58.69 1r3h s PHE 6062Cb -0.52 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.16 1r3h s PHE 6062CO 0.36 -0.14 -0.07 1.52 0.70 0.00 0.00 175.22 177.59 1r3h s TYR 6063N -2.25 1.44 0.18 0.36 -0.85 -0.27 -3.48 117.35 112.49 1r3h s TYR 6063Ca 0.60 -0.80 -0.18 0.00 -0.52 0.00 0.00 57.07 56.18 1r3h s TYR 6063Cb -0.09 -0.77 0.03 0.00 0.38 0.00 0.00 41.96 41.51 1r3h s TYR 6063CO 0.17 0.08 0.52 -0.51 -1.52 0.00 0.00 175.55 174.29 1r3h s LEU 6064N -3.24 0.04 -0.03 -3.49 1.43 -0.71 -3.73 118.68 108.95 1r3h s LEU 6064Ca 0.22 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1r3h s LEU 6064Cb 0.03 2.16 0.03 0.00 0.03 0.00 0.00 46.19 48.44 1r3h s LEU 6064CO 0.05 -1.02 -0.00 -0.22 0.23 0.00 0.00 176.35 175.38 1r3h s LEU 6065N -2.85 1.16 -0.16 1.79 2.96 -1.26 -2.75 118.68 117.57 1r3h s LEU 6065Ca 0.07 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1r3h s LEU 6065Cb -0.01 -0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.44 1r3h s LEU 6065CO -0.05 -0.10 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.40 1r3h s TYR 6066N 1.04 2.75 0.32 5.38 1.51 -0.74 -1.37 117.35 126.25 1r3h s TYR 6066Ca -0.09 -1.19 0.04 0.00 -1.01 0.00 0.00 57.07 54.81 1r3h s TYR 6066Cb -0.14 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1r3h s TYR 6066CO -0.02 -0.55 0.17 1.52 -1.11 0.00 0.00 175.55 175.56 1r3h s TYR 6067N 0.89 1.65 -0.29 2.71 1.13 0.11 -0.32 117.35 123.23 1r3h s TYR 6067Ca -0.04 -1.41 -0.16 0.00 -1.41 0.00 0.00 57.07 54.05 1r3h s TYR 6067Cb -0.15 -0.87 0.17 0.00 -1.10 0.00 0.00 41.96 40.01 1r3h s TYR 6067CO -0.02 -0.55 1.08 -0.08 -2.51 0.00 0.00 175.55 173.46 1r3h s THR 6068N -3.53 -0.04 0.55 -3.49 -1.32 -1.06 -1.96 115.64 104.78 1r3h s THR 6068Ca 0.35 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.61 1r3h s THR 6068Cb 0.04 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 1r3h s THR 6068CO 0.19 0.00 1.33 -0.70 -2.21 0.00 0.00 174.62 173.23 1r3h s GLU 6069N 1.35 3.15 0.21 7.08 2.12 -1.26 -1.43 118.70 129.93 1r3h s GLU 6069Ca -0.08 2.17 -0.17 0.00 0.36 0.00 0.00 54.97 57.24 1r3h s GLU 6069Cb -0.03 -2.23 0.02 0.00 0.26 0.00 0.00 34.13 32.15 1r3h s GLU 6069CO -0.13 -1.16 0.54 -0.59 -0.54 0.00 0.00 175.26 173.37 1r3h s PHE 6070N -1.34 -0.06 -0.30 5.30 -0.71 -0.96 -4.83 117.98 115.08 1r3h s PHE 6070Ca 0.72 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.31 1r3h s PHE 6070Cb -0.39 0.40 0.09 0.00 -1.21 0.00 0.00 43.02 41.91 1r3h s PHE 6070CO 0.45 -0.96 0.07 0.95 -1.34 0.00 0.00 175.22 174.40 1r3h s THR 6071N -3.90 1.17 0.29 -4.49 -4.23 -1.26 0.19 115.64 103.41 1r3h s THR 6071Ca 0.11 -1.49 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 1r3h s THR 6071Cb -0.01 -1.82 -0.10 0.00 1.34 0.00 0.00 72.50 71.91 1r3h s THR 6071CO -0.00 -0.57 1.21 -2.16 -0.54 0.00 0.00 174.62 172.56 1r3h s PRO 6072N 1.48 4.49 0.08 3.99 0.04 -1.26 -4.77 135.00 139.05 1r3h s PRO 6072Ca 0.08 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.20 1r3h s PRO 6072Cb -0.18 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1r3h s PRO 6072CO -0.19 -0.02 -0.16 0.99 0.04 0.00 0.00 177.00 177.66 1r3h s THR 6073N -0.98 2.94 -2.00 1.26 2.01 -1.26 -3.54 115.64 114.07 1r3h s THR 6073Ca 0.48 -1.33 0.09 0.00 0.31 0.00 0.00 61.69 61.24 1r3h s THR 6073Cb -0.36 -2.32 0.25 0.00 0.01 0.00 0.00 72.50 70.09 1r3h s THR 6073CO 0.46 0.19 0.94 -0.62 -0.69 0.00 0.00 174.62 174.90 1r3h n GLU 6074N 1.07 0.35 0.00 4.92 1.02 -1.26 -3.05 120.64 123.68 1r3h n GLU 6074Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1r3h n GLU 6074Cb 0.52 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1r3h n GLU 6074CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r3h n LYS 6075N -0.89 0.49 -1.68 3.49 5.02 -1.26 -5.06 118.16 118.27 1r3h n LYS 6075Ca 0.07 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.92 1r3h n LYS 6075Cb 0.03 -0.82 -0.02 0.00 -0.02 0.00 0.00 35.03 34.21 1r3h n LYS 6075CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r3h n ASP 6076N -2.00 2.68 -4.39 4.39 9.92 -1.17 -4.99 116.55 120.98 1r3h n ASP 6076Ca 0.00 1.18 -0.31 0.00 -0.53 0.00 0.00 54.79 55.13 1r3h n ASP 6076Cb 0.32 -1.45 -0.14 0.00 -0.64 0.00 0.00 41.12 39.21 1r3h n ASP 6076CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1r3h s GLU 6077N -1.17 2.04 0.27 -1.24 2.02 -1.26 -4.72 118.70 114.64 1r3h s GLU 6077Ca 0.62 -0.98 0.06 0.00 0.02 0.00 0.00 54.97 54.69 1r3h s GLU 6077Cb -0.61 -2.11 -0.06 0.00 0.10 0.00 0.00 34.13 31.45 1r3h s GLU 6077CO 0.56 0.54 -0.06 0.71 0.02 0.00 0.00 175.26 177.04 1r3h s TYR 6078N -0.80 1.90 0.28 1.61 2.02 -1.26 -0.36 117.35 120.74 1r3h s TYR 6078Ca 0.12 -0.72 -0.21 0.00 -0.37 0.00 0.00 57.07 55.90 1r3h s TYR 6078Cb -0.10 -1.08 0.04 0.00 -0.40 0.00 0.00 41.96 40.42 1r3h s TYR 6078CO 0.02 0.25 0.78 0.00 -1.57 0.00 0.00 175.55 175.04 1r3h s ALA 6079N -3.05 -1.20 -0.15 3.71 0.00 -0.79 -1.76 121.76 118.52 1r3h s ALA 6079Ca 0.29 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1r3h s ALA 6079Cb 0.04 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.96 1r3h s ALA 6079CO 0.11 -1.03 -0.16 0.00 0.00 0.00 0.00 175.76 174.68 1r3h s ARG 6081N 1.31 2.25 0.04 0.00 3.52 -0.57 -0.91 118.95 124.59 1r3h s ARG 6081Ca 0.02 -1.63 0.02 0.00 -0.13 0.00 0.00 55.73 54.01 1r3h s ARG 6081Cb -0.13 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1r3h s ARG 6081CO -0.09 -0.97 0.05 0.08 -0.81 0.00 0.00 175.30 173.57 1r3h s VAL 6082N 1.24 4.45 -0.04 7.11 1.01 0.14 -1.61 120.40 132.69 1r3h s VAL 6082Ca 0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1r3h s VAL 6082Cb -0.22 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.12 1r3h s VAL 6082CO -0.02 0.25 0.07 0.21 0.00 0.00 0.00 175.10 175.61 1r3h s ASN 6083N -2.00 0.92 0.24 3.32 3.84 0.83 0.10 114.94 122.20 1r3h s ASN 6083Ca 0.25 0.10 0.07 0.00 0.21 0.00 0.00 52.86 53.49 1r3h s ASN 6083Cb -0.12 -0.08 -0.05 0.00 -0.55 0.00 0.00 41.25 40.45 1r3h s ASN 6083CO 0.17 -0.23 -0.09 -2.28 -2.79 0.00 0.00 177.10 171.88 1r3h s HIS 6084N 2.01 1.78 -0.01 0.43 5.65 -1.26 -1.22 115.29 122.67 1r3h s HIS 6084Ca 0.03 -0.68 0.31 0.00 0.25 0.00 0.00 55.06 54.97 1r3h s HIS 6084Cb -0.12 -0.95 1.42 0.00 -1.18 0.00 0.00 32.58 31.75 1r3h s HIS 6084CO -0.03 0.26 1.93 -0.39 -0.65 0.00 0.00 174.74 175.86 1r3h h VAL 6085N 2.43 0.00 -0.14 0.89 -1.51 -1.95 -2.64 116.25 113.32 1r3h h VAL 6085Ca -0.39 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1r3h h VAL 6085Cb 1.23 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1r3h h VAL 6085CO 0.65 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.34 1r3h n THR 6086N -2.73 0.17 -4.27 7.19 -2.24 -1.26 -4.86 114.28 106.28 1r3h n THR 6086Ca 0.00 -0.35 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 1r3h n THR 6086Cb 0.21 0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.80 1r3h n THR 6086CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r3h s LEU 6087N -1.67 3.66 0.42 3.22 1.43 -1.00 -4.98 118.68 119.75 1r3h s LEU 6087Ca 0.34 0.11 0.22 0.00 -1.03 0.00 0.00 54.13 53.77 1r3h s LEU 6087Cb 0.19 -1.98 0.89 0.00 0.03 0.00 0.00 46.19 45.31 1r3h s LEU 6087CO 0.28 0.33 1.83 0.77 0.23 0.00 0.00 176.35 179.79 1r3h h SER 6088N 4.68 0.00 -5.05 2.29 4.64 -1.89 -3.45 113.55 114.76 1r3h h SER 6088Ca -0.50 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 1r3h h SER 6088Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.14 1r3h h SER 6088CO 0.57 0.28 -0.01 0.00 -0.87 0.00 0.00 176.83 176.80 1r3h s GLN 6089N -3.75 1.10 0.34 4.77 -2.07 -1.26 -5.14 119.66 113.64 1r3h s GLN 6089Ca -0.00 -0.60 -0.28 0.00 -1.82 0.00 0.00 55.36 52.65 1r3h s GLN 6089Cb 0.11 0.49 -0.12 0.00 -1.09 0.00 0.00 33.01 32.40 1r3h s GLN 6089CO 0.65 -0.43 1.35 -2.30 -1.32 0.00 0.00 175.29 173.24 1r3h n PRO 6090N -0.16 2.26 -3.28 9.60 -0.02 -1.26 -4.93 135.00 137.21 1r3h n PRO 6090Ca -0.17 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 1r3h n PRO 6090Cb 0.63 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1r3h n PRO 6090CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1r3h s LYS 6091N -1.75 3.97 -0.17 -0.52 -0.14 0.29 -4.91 119.74 116.51 1r3h s LYS 6091Ca 0.56 0.53 -0.04 0.00 -1.36 0.00 0.00 55.97 55.66 1r3h s LYS 6091Cb -0.55 -2.70 0.06 0.00 -1.68 0.00 0.00 37.83 32.96 1r3h s LYS 6091CO 0.61 0.33 0.06 0.42 -0.76 0.00 0.00 175.35 176.01 1r3h s ILE 6092N -1.73 0.16 -0.19 2.17 1.01 -1.26 -0.68 121.20 120.68 1r3h s ILE 6092Ca 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 1r3h s ILE 6092Cb -0.13 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1r3h s ILE 6092CO 0.20 -0.21 -0.09 -0.69 0.00 0.00 0.00 174.94 174.14 1r3h s VAL 6093N 2.03 3.11 0.65 2.92 1.01 -0.08 -4.96 120.40 125.07 1r3h s VAL 6093Ca 0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1r3h s VAL 6093Cb -0.16 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1r3h s VAL 6093CO -0.08 0.47 0.98 -0.54 0.00 0.00 0.00 175.10 175.92 1r3h s LYS 6094N 1.09 2.65 -0.51 2.72 1.02 -1.26 0.24 119.74 125.69 1r3h s LYS 6094Ca 0.01 -0.01 -0.16 0.00 0.02 0.00 0.00 55.97 55.83 1r3h s LYS 6094Cb -0.15 -2.19 0.10 0.00 -0.52 0.00 0.00 37.83 35.08 1r3h s LYS 6094CO -0.02 -0.95 0.45 -0.46 -0.92 0.00 0.00 175.35 173.45 1r3h s TRP 6095N -3.15 3.25 -0.35 3.18 -0.00 -0.72 -4.70 118.94 116.45 1r3h s TRP 6095Ca 0.57 -1.15 -0.11 0.00 -0.00 0.00 0.00 56.10 55.41 1r3h s TRP 6095Cb -0.11 -3.51 0.01 0.00 -0.00 0.00 0.00 33.47 29.87 1r3h s TRP 6095CO 0.46 -0.92 0.20 0.34 -0.00 0.00 0.00 176.95 177.03 1r3h s ASP 6096N 3.13 5.71 0.64 5.86 2.15 -1.26 -4.76 116.67 128.14 1r3h s ASP 6096Ca 0.03 -0.81 0.26 0.00 0.43 0.00 0.00 52.55 52.46 1r3h s ASP 6096Cb -0.27 -2.03 1.40 0.00 -0.30 0.00 0.00 42.92 41.72 1r3h s ASP 6096CO 0.04 -0.32 1.80 0.03 -0.17 0.00 0.00 175.17 176.55 1r3h h ARG 6097N 8.42 0.00 -0.59 4.34 3.08 -1.95 0.81 114.38 128.49 1r3h h ARG 6097Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1r3h h ARG 6097Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1r3h h ARG 6097CO 0.65 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.30 1r3h n ASP 6098N -3.08 1.50 0.00 7.04 8.00 -1.26 -5.00 116.55 123.76 1r3h n ASP 6098Ca 0.02 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.40 1r3h n ASP 6098Cb 0.55 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1r3h n ASP 6098CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61