#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ast s ILE 3006N 0.00 4.84 -0.07 5.09 1.01 -1.26 -4.20 121.20 126.61 2ast s ILE 3006Ca 0.00 1.71 -0.17 0.00 0.00 0.00 0.00 60.65 62.20 2ast s ILE 3006Cb 0.00 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 2ast s ILE 3006CO 0.00 -0.01 0.45 -0.47 0.00 0.00 0.00 174.94 174.90 2ast s TYR 3007N 2.35 3.60 -0.22 3.97 5.04 -0.38 -4.97 117.35 126.75 2ast s TYR 3007Ca 0.40 0.93 -0.01 0.00 -2.44 0.00 0.00 57.07 55.94 2ast s TYR 3007Cb -0.16 -2.44 0.02 0.00 0.35 0.00 0.00 41.96 39.72 2ast s TYR 3007CO 0.12 0.36 -0.11 0.71 -1.34 0.00 0.00 175.55 175.28 2ast s TYR 3008N -0.07 2.96 0.87 4.97 1.51 -1.26 -0.86 117.35 125.46 2ast s TYR 3008Ca 0.25 -1.53 -0.12 0.00 -1.01 0.00 0.00 57.07 54.66 2ast s TYR 3008Cb -0.16 -2.01 0.11 0.00 -0.11 0.00 0.00 41.96 39.80 2ast s TYR 3008CO 0.11 -0.74 1.10 -1.54 -1.11 0.00 0.00 175.55 173.38 2ast s SER 3009N 1.32 3.81 0.68 2.29 1.04 -0.77 -5.04 113.70 117.04 2ast s SER 3009Ca 0.02 1.28 -0.13 0.00 0.48 0.00 0.00 55.95 57.60 2ast s SER 3009Cb -0.15 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.02 2ast s SER 3009CO -0.07 -2.40 1.08 -1.81 0.98 0.00 0.00 173.24 171.02 2ast s ASP 3010N -3.75 5.15 -0.13 7.02 1.01 -1.26 -4.78 116.67 119.93 2ast s ASP 3010Ca 0.63 1.82 -0.08 0.00 0.71 0.00 0.00 52.55 55.63 2ast s ASP 3010Cb -0.16 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 2ast s ASP 3010CO 0.55 -1.60 0.15 -0.54 0.21 0.00 0.00 175.17 173.94 2ast s LYS 3011N -4.53 3.65 0.20 8.23 1.02 -1.26 -4.66 119.74 122.39 2ast s LYS 3011Ca 0.63 -0.12 0.05 0.00 0.02 0.00 0.00 55.97 56.55 2ast s LYS 3011Cb -0.17 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 2ast s LYS 3011CO 0.48 0.65 -0.09 1.52 -0.92 0.00 0.00 175.35 176.99 2ast s TYR 3012N -0.68 1.54 0.19 3.18 -0.85 -0.86 -4.93 117.35 114.93 2ast s TYR 3012Ca 0.14 -0.74 0.02 0.00 -0.52 0.00 0.00 57.07 55.98 2ast s TYR 3012Cb -0.12 -0.80 -0.05 0.00 0.38 0.00 0.00 41.96 41.37 2ast s TYR 3012CO 0.03 0.16 -0.01 0.16 -1.52 0.00 0.00 175.55 174.37 2ast s ASP 3013N -3.28 1.43 0.00 -0.18 1.47 -1.26 0.87 116.67 115.72 2ast s ASP 3013Ca 0.23 -1.17 0.00 0.00 1.18 0.00 0.00 52.55 52.79 2ast s ASP 3013Cb 0.02 0.08 0.00 0.00 -0.34 0.00 0.00 42.92 42.68 2ast s ASP 3013CO 0.06 -0.53 0.00 -0.90 0.68 0.00 0.00 175.17 174.47 2ast n ASP 3014N -0.28 1.30 0.01 2.11 5.68 -0.12 -4.99 116.55 120.25 2ast n ASP 3014Ca -0.06 -0.41 0.05 0.00 -0.50 0.00 0.00 54.79 53.87 2ast n ASP 3014Cb 0.63 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.84 2ast n ASP 3014CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2ast n GLU 3015N -0.14 0.01 0.00 0.11 0.28 -1.26 -4.04 120.64 115.60 2ast n GLU 3015Ca 0.00 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 2ast n GLU 3015Cb 0.00 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.34 2ast n GLU 3015CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2ast n GLU 3016N -1.55 0.00 -4.30 3.44 2.13 -1.26 -4.93 120.64 114.17 2ast n GLU 3016Ca 0.02 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.62 2ast n GLU 3016Cb 0.12 -0.61 -0.12 0.00 0.27 0.00 0.00 31.44 31.11 2ast n GLU 3016CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2ast s PHE 3017N -1.97 1.72 0.04 4.31 0.08 -1.26 -0.75 117.98 120.16 2ast s PHE 3017Ca 0.00 -0.46 -0.05 0.00 0.12 0.00 0.00 56.93 56.54 2ast s PHE 3017Cb 0.00 -0.90 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 2ast s PHE 3017CO 0.00 0.25 0.28 -2.00 -0.10 0.00 0.00 175.22 173.65 2ast s GLU 3018N -2.43 3.56 0.01 0.44 2.12 -0.16 -0.94 118.70 121.30 2ast s GLU 3018Ca 0.11 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.34 2ast s GLU 3018Cb -0.07 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2ast s GLU 3018CO 0.05 0.61 -0.14 0.71 -0.54 0.00 0.00 175.26 175.95 2ast s TYR 3019N -1.41 1.20 0.04 5.30 2.02 0.25 -1.48 117.35 123.28 2ast s TYR 3019Ca 0.32 -0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 56.67 2ast s TYR 3019Cb -0.13 -0.75 -0.00 0.00 -0.40 0.00 0.00 41.96 40.67 2ast s TYR 3019CO 0.20 -0.00 0.15 0.50 -1.57 0.00 0.00 175.55 174.83 2ast s ARG 3020N -0.58 0.64 0.22 -0.62 3.52 -0.94 -2.03 118.95 119.16 2ast s ARG 3020Ca 0.04 -0.67 0.11 0.00 -0.13 0.00 0.00 55.73 55.08 2ast s ARG 3020Cb -0.06 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.54 2ast s ARG 3020CO 0.00 -0.17 -0.19 -3.38 -0.81 0.00 0.00 175.30 170.75 2ast s HIS 3021N -2.54 2.38 -0.09 5.12 -3.43 -1.26 -0.67 115.29 114.80 2ast s HIS 3021Ca -0.05 -0.32 0.02 0.00 -0.80 0.00 0.00 55.06 53.91 2ast s HIS 3021Cb -0.01 -1.13 0.01 0.00 -1.43 0.00 0.00 32.58 30.02 2ast s HIS 3021CO -0.04 0.57 -0.15 0.08 -2.00 0.00 0.00 174.74 173.20 2ast s VAL 3022N -1.94 1.37 -0.25 -5.38 1.01 0.14 -1.85 120.40 113.51 2ast s VAL 3022Ca 0.25 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 2ast s VAL 3022Cb -0.07 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2ast s VAL 3022CO 0.13 0.41 0.13 -0.04 0.00 0.00 0.00 175.10 175.73 2ast s MET 3023N 0.78 3.87 0.00 2.72 -1.94 -0.04 -0.58 119.30 124.12 2ast s MET 3023Ca -0.12 -0.37 -0.08 0.00 -1.71 0.00 0.00 55.69 53.42 2ast s MET 3023Cb -0.16 -3.46 -0.05 0.00 2.01 0.00 0.00 34.83 33.17 2ast s MET 3023CO 0.02 -0.08 0.28 -0.51 -0.01 0.00 0.00 175.02 174.72 2ast s LEU 3024N 1.41 4.38 0.79 -0.03 1.02 -0.13 -1.24 118.68 124.88 2ast s LEU 3024Ca 0.06 0.61 -0.11 0.00 0.02 0.00 0.00 54.13 54.72 2ast s LEU 3024Cb -0.15 -2.64 0.07 0.00 0.02 0.00 0.00 46.19 43.49 2ast s LEU 3024CO 0.06 0.27 1.09 -2.16 0.02 0.00 0.00 176.35 175.63 2ast s PRO 3025N -1.64 2.11 0.41 1.29 0.04 -1.26 -4.74 135.00 131.21 2ast s PRO 3025Ca 0.27 1.15 0.13 0.00 0.04 0.00 0.00 61.00 62.59 2ast s PRO 3025Cb -0.13 -1.88 0.97 0.00 0.04 0.00 0.00 34.50 33.50 2ast s PRO 3025CO 0.15 -1.74 1.93 0.87 0.04 0.00 0.00 177.00 178.25 2ast h LYS 3026N -1.20 0.48 -0.19 4.56 1.57 -1.98 -0.42 116.57 119.39 2ast h LYS 3026Ca -0.44 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.13 2ast h LYS 3026Cb 1.24 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2ast h LYS 3026CO 0.51 0.32 -0.61 0.38 -0.57 0.00 0.00 179.45 179.48 2ast h ASP 3027N 0.50 0.75 0.27 0.86 2.03 -2.01 -2.86 116.42 115.95 2ast h ASP 3027Ca 0.35 -0.43 -0.33 0.00 -0.73 0.00 0.00 57.03 55.90 2ast h ASP 3027Cb 0.68 -0.22 0.03 0.00 -0.83 0.00 0.00 39.33 39.00 2ast h ASP 3027CO -0.12 1.18 -1.42 0.40 -1.03 0.00 0.00 179.24 178.26 2ast h ILE 3028N 0.49 1.30 -0.65 4.15 2.04 -1.83 -3.33 117.51 119.68 2ast h ILE 3028Ca -0.01 -2.68 0.13 0.00 1.00 0.00 0.00 64.86 63.30 2ast h ILE 3028Cb 1.19 2.96 -0.04 0.00 -0.74 0.00 0.00 36.82 40.20 2ast h ILE 3028CO 0.12 0.80 0.44 0.00 0.00 0.00 0.00 178.15 179.52 2ast h ALA 3029N 0.22 2.13 0.00 1.87 0.00 -1.08 -1.41 119.26 120.99 2ast h ALA 3029Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ast h ALA 3029Cb 2.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2ast h ALA 3029CO 0.26 -0.29 0.00 0.36 0.00 0.00 0.00 179.25 179.58 2ast n LYS 3030N -4.46 0.14 0.07 0.00 2.85 -1.08 -2.45 118.16 113.23 2ast n LYS 3030Ca 0.12 0.39 0.11 0.00 -1.05 0.00 0.00 58.31 57.88 2ast n LYS 3030Cb 0.47 -1.78 0.02 0.00 -0.65 0.00 0.00 35.03 33.09 2ast n LYS 3030CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2ast n LEU 3031N -2.05 0.69 -4.68 -5.58 4.77 -0.53 -4.94 117.00 104.68 2ast n LEU 3031Ca 0.02 0.20 -0.44 0.00 -0.03 0.00 0.00 56.01 55.77 2ast n LEU 3031Cb 0.20 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2ast n LEU 3031CO 0.17 -0.10 1.43 0.52 -1.33 0.00 0.00 177.39 178.09 2ast n VAL 3032N -2.38 0.36 -1.78 4.08 0.31 -1.03 -4.93 118.33 112.96 2ast n VAL 3032Ca 0.01 -0.06 -0.37 0.00 -0.01 0.00 0.00 64.34 63.90 2ast n VAL 3032Cb 0.51 -1.98 0.06 0.00 -0.91 0.00 0.00 33.84 31.52 2ast n VAL 3032CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2ast s PRO 3033N 2.74 2.72 -0.02 5.55 0.02 -1.26 -4.94 135.00 139.81 2ast s PRO 3033Ca 0.84 2.08 0.16 0.00 0.02 0.00 0.00 61.00 64.09 2ast s PRO 3033Cb -0.56 -1.94 -0.24 0.00 0.02 0.00 0.00 34.50 31.78 2ast s PRO 3033CO 0.40 -1.47 0.36 1.17 -0.33 0.00 0.00 177.00 177.13 2ast n LYS 3034N -1.68 0.54 -0.02 5.54 3.00 -1.26 -4.65 118.16 119.63 2ast n LYS 3034Ca 0.14 -0.14 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 2ast n LYS 3034Cb 0.48 -1.37 0.05 0.00 0.00 0.00 0.00 35.03 34.19 2ast n LYS 3034CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2ast n THR 3035N -2.02 0.12 -3.82 3.15 -2.24 -1.26 -5.01 114.28 103.21 2ast n THR 3035Ca -0.03 -0.56 -0.06 0.00 -2.27 0.00 0.00 64.05 61.14 2ast n THR 3035Cb 0.40 1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 2ast n THR 3035CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2ast s HIS 3036N -0.82 -0.12 0.38 4.78 -3.43 -1.26 -5.17 115.29 109.64 2ast s HIS 3036Ca 0.12 -0.29 0.03 0.00 -0.80 0.00 0.00 55.06 54.12 2ast s HIS 3036Cb 0.08 0.69 -0.01 0.00 -1.43 0.00 0.00 32.58 31.92 2ast s HIS 3036CO 0.12 -1.09 0.56 -0.51 -2.00 0.00 0.00 174.74 171.82 2ast s LEU 3037N -2.97 3.85 -0.19 5.38 1.02 -1.26 -4.73 118.68 119.79 2ast s LEU 3037Ca 0.12 0.09 -0.13 0.00 0.02 0.00 0.00 54.13 54.24 2ast s LEU 3037Cb -0.04 -2.99 -0.05 0.00 0.02 0.00 0.00 46.19 43.14 2ast s LEU 3037CO 0.06 -0.52 0.28 -0.04 0.02 0.00 0.00 176.35 176.14 2ast s MET 3038N -4.35 4.21 0.92 1.70 -1.94 -1.26 -5.08 119.30 113.49 2ast s MET 3038Ca 0.45 0.03 -0.12 0.00 -1.71 0.00 0.00 55.69 54.35 2ast s MET 3038Cb -0.10 -3.47 0.14 0.00 2.01 0.00 0.00 34.83 33.42 2ast s MET 3038CO 0.34 0.16 1.09 -1.54 -0.01 0.00 0.00 175.02 175.06 2ast s SER 3039N 0.68 3.26 0.33 3.03 1.04 -1.26 -4.25 113.70 116.53 2ast s SER 3039Ca 0.15 1.43 0.04 0.00 0.48 0.00 0.00 55.95 58.05 2ast s SER 3039Cb -0.13 -2.11 0.65 0.00 0.10 0.00 0.00 66.02 64.53 2ast s SER 3039CO 0.04 -2.77 1.93 -0.08 0.98 0.00 0.00 173.24 173.34 2ast h GLU 3040N -1.64 0.85 -0.96 4.02 4.81 -1.98 -0.44 114.58 119.24 2ast h GLU 3040Ca -0.51 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2ast h GLU 3040Cb 1.29 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 2ast h GLU 3040CO 0.55 0.56 0.63 0.77 -0.73 0.00 0.00 179.01 180.79 2ast h SER 3041N 0.88 1.06 -0.05 1.04 0.02 -1.99 -1.54 113.55 112.98 2ast h SER 3041Ca 0.36 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2ast h SER 3041Cb 0.27 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2ast h SER 3041CO -0.13 0.74 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.77 2ast h GLU 3042N 1.24 0.23 -0.00 3.45 5.08 -1.48 -0.88 114.58 122.22 2ast h GLU 3042Ca 0.37 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2ast h GLU 3042Cb -0.04 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2ast h GLU 3042CO -0.11 0.81 -0.55 0.11 -1.00 0.00 0.00 179.01 178.27 2ast h TRP 3043N -0.31 0.00 -0.57 4.33 5.08 -1.20 -2.16 115.95 121.12 2ast h TRP 3043Ca -0.01 -0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.86 2ast h TRP 3043Cb 0.84 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.97 2ast h TRP 3043CO 0.13 0.55 -0.02 0.00 -1.28 0.00 0.00 178.44 177.82 2ast h ARG 3044N 0.00 1.01 -0.84 0.12 3.08 -1.31 -1.90 114.38 114.55 2ast h ARG 3044Ca -0.01 -0.32 0.07 0.00 0.07 0.00 0.00 59.98 59.79 2ast h ARG 3044Cb 0.97 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 2ast h ARG 3044CO 0.07 1.00 0.55 -0.91 -1.07 0.00 0.00 179.97 179.61 2ast h ASN 3045N 0.92 0.80 0.60 7.04 2.35 -0.82 -1.59 115.58 124.89 2ast h ASN 3045Ca 0.16 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 2ast h ASN 3045Cb 0.56 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2ast h ASN 3045CO 0.03 0.51 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.12 2ast h LEU 3046N 0.91 0.00 0.00 1.61 3.38 -1.15 -3.47 115.31 116.59 2ast h LEU 3046Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2ast h LEU 3046Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ast h LEU 3046CO -0.13 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.13 2ast n GLY 3047N -0.35 0.89 3.70 0.83 0.00 -0.60 -5.04 105.19 104.63 2ast n GLY 3047Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2ast n GLY 3047CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ast s VAL 3048N -2.00 3.51 -0.21 1.61 1.01 -0.74 -5.00 120.40 118.58 2ast s VAL 3048Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.02 2ast s VAL 3048Cb 0.00 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.76 2ast s VAL 3048CO 0.00 0.05 -0.12 -1.10 0.00 0.00 0.00 175.10 173.93 2ast s GLN 3049N 1.61 2.25 0.13 2.72 -0.21 -1.26 -4.21 119.66 120.68 2ast s GLN 3049Ca 0.64 -0.98 -0.02 0.00 0.02 0.00 0.00 55.36 55.02 2ast s GLN 3049Cb -0.34 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.10 2ast s GLN 3049CO 0.29 -0.43 0.21 0.00 -2.12 0.00 0.00 175.29 173.24 2ast n GLN 3050N 4.61 0.30 -1.28 2.91 10.64 -1.26 -5.08 117.38 128.22 2ast n GLN 3050Ca -0.16 -0.95 -0.30 0.00 -1.83 0.00 0.00 57.00 53.76 2ast n GLN 3050Cb 0.46 0.99 0.23 0.00 -0.86 0.00 0.00 30.24 31.06 2ast n GLN 3050CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2ast s SER 3051N -1.78 1.32 0.47 2.61 0.01 -1.26 -5.04 113.70 110.03 2ast s SER 3051Ca 0.09 0.51 -0.17 0.00 1.31 0.00 0.00 55.95 57.69 2ast s SER 3051Cb -0.01 -0.67 -0.09 0.00 0.21 0.00 0.00 66.02 65.46 2ast s SER 3051CO 0.07 -3.87 0.94 -1.10 0.41 0.00 0.00 173.24 169.69 2ast s GLN 3052N -5.55 4.03 0.00 12.44 -0.21 -1.26 -4.30 119.66 124.81 2ast s GLN 3052Ca 0.72 0.95 0.00 0.00 0.02 0.00 0.00 55.36 57.05 2ast s GLN 3052Cb -0.08 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.75 2ast s GLN 3052CO 0.55 -0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 2ast n GLY 3053N -1.20 0.85 3.73 3.09 0.00 -1.26 -5.04 105.19 105.37 2ast n GLY 3053Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2ast n GLY 3053CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ast s TRP 3054N -2.35 3.31 -0.16 1.61 0.52 -1.26 -4.49 118.94 116.12 2ast s TRP 3054Ca 0.00 1.24 0.02 0.00 0.02 0.00 0.00 56.10 57.38 2ast s TRP 3054Cb 0.00 -3.56 0.01 0.00 -1.15 0.00 0.00 33.47 28.77 2ast s TRP 3054CO 0.00 -1.74 -0.20 0.08 0.02 0.00 0.00 176.95 175.11 2ast s VAL 3055N 0.25 2.12 -0.60 4.03 1.01 0.53 -4.78 120.40 122.95 2ast s VAL 3055Ca 0.57 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2ast s VAL 3055Cb -0.35 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 2ast s VAL 3055CO 0.36 0.54 1.67 -2.28 0.00 0.00 0.00 175.10 175.39 2ast s HIS 3056N 1.03 1.90 -0.43 5.22 2.46 -1.26 -1.64 115.29 122.57 2ast s HIS 3056Ca -0.02 0.56 0.11 0.00 0.47 0.00 0.00 55.06 56.19 2ast s HIS 3056Cb -0.14 -4.25 -0.13 0.00 -0.13 0.00 0.00 32.58 27.92 2ast s HIS 3056CO -0.06 -2.25 0.43 2.48 -2.47 0.00 0.00 174.74 172.86 2ast n TYR 3057N 11.34 0.00 -3.57 3.88 4.11 -1.17 -4.50 117.16 127.26 2ast n TYR 3057Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.93 2ast n TYR 3057Cb 0.51 -0.05 -0.05 0.00 -0.00 0.00 0.00 39.34 39.74 2ast n TYR 3057CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2ast s MET 3058N -2.22 1.06 -0.23 -3.48 0.23 -1.26 -5.11 119.30 108.29 2ast s MET 3058Ca 0.03 -0.31 -0.13 0.00 -1.03 0.00 0.00 55.69 54.24 2ast s MET 3058Cb 0.08 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.82 2ast s MET 3058CO 0.47 -0.39 0.26 0.42 -2.03 0.00 0.00 175.02 173.74 2ast s ILE 3059N -2.73 5.28 -0.86 3.16 1.01 -1.26 -4.39 121.20 121.41 2ast s ILE 3059Ca -0.04 0.39 -0.19 0.00 0.00 0.00 0.00 60.65 60.81 2ast s ILE 3059Cb -0.00 -3.60 0.12 0.00 0.01 0.00 0.00 42.46 38.99 2ast s ILE 3059CO -0.04 0.29 1.05 -2.28 0.00 0.00 0.00 174.94 173.96 2ast s HIS 3060N 1.32 3.07 0.21 3.97 5.65 -1.26 -4.94 115.29 123.31 2ast s HIS 3060Ca 0.12 -1.25 -0.09 0.00 0.25 0.00 0.00 55.06 54.08 2ast s HIS 3060Cb -0.14 -4.24 0.19 0.00 -1.18 0.00 0.00 32.58 27.21 2ast s HIS 3060CO 0.07 -1.48 1.87 0.93 -0.65 0.00 0.00 174.74 175.48 2ast h GLU 3061N 8.93 0.95 -0.22 2.88 4.39 -1.96 -2.42 114.58 127.13 2ast h GLU 3061Ca 0.05 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.76 2ast h GLU 3061Cb 1.04 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2ast h GLU 3061CO 1.10 0.63 0.19 -1.35 -1.16 0.00 0.00 179.01 178.42 2ast h PRO 3062N 0.98 0.00 -2.40 2.33 0.11 -2.01 -3.34 132.00 127.66 2ast h PRO 3062Ca 0.29 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.81 2ast h PRO 3062Cb -0.04 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 30.69 2ast h PRO 3062CO -0.09 0.00 -0.94 0.39 -0.21 0.00 0.00 178.00 177.14 2ast n GLU 3063N -4.13 0.41 0.28 1.05 1.02 -0.91 -5.00 120.64 113.37 2ast n GLU 3063Ca 0.02 -3.32 0.18 0.00 -0.02 0.00 0.00 57.16 54.02 2ast n GLU 3063Cb 0.33 -1.70 0.96 0.00 -0.02 0.00 0.00 31.44 31.00 2ast n GLU 3063CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2ast h PRO 3064N 5.46 0.00 0.00 3.49 0.11 -1.69 -0.63 132.00 138.74 2ast h PRO 3064Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2ast h PRO 3064Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2ast h PRO 3064CO 0.42 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.82 2ast n HIS 3065N -3.52 0.00 -3.84 0.65 1.44 -1.26 -4.66 115.22 104.02 2ast n HIS 3065Ca -0.01 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.34 2ast n HIS 3065Cb 0.20 -0.28 -0.12 0.00 0.12 0.00 0.00 29.99 29.91 2ast n HIS 3065CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2ast s ILE 3066N -2.57 4.44 -0.20 0.61 1.01 -0.25 -0.95 121.20 123.29 2ast s ILE 3066Ca 0.25 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 2ast s ILE 3066Cb 0.18 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2ast s ILE 3066CO 0.41 0.37 0.03 -0.76 0.00 0.00 0.00 174.94 174.98 2ast s LEU 3067N 1.30 3.47 -0.23 2.97 1.43 0.25 -4.57 118.68 123.31 2ast s LEU 3067Ca 0.05 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 2ast s LEU 3067Cb -0.15 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2ast s LEU 3067CO 0.04 0.10 0.24 -0.76 0.23 0.00 0.00 176.35 176.19 2ast s LEU 3068N 0.82 4.13 0.14 1.79 1.02 -1.26 -0.68 118.68 124.64 2ast s LEU 3068Ca 0.02 0.25 0.10 0.00 0.02 0.00 0.00 54.13 54.51 2ast s LEU 3068Cb -0.14 -2.24 -0.04 0.00 0.02 0.00 0.00 46.19 43.79 2ast s LEU 3068CO 0.02 0.02 -0.23 -0.36 0.02 0.00 0.00 176.35 175.82 2ast s PHE 3069N 1.13 2.06 0.05 0.29 0.40 0.15 -3.02 117.98 119.04 2ast s PHE 3069Ca 0.11 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 2ast s PHE 3069Cb -0.14 -1.09 0.01 0.00 0.51 0.00 0.00 43.02 42.31 2ast s PHE 3069CO 0.05 0.32 0.23 -0.98 0.70 0.00 0.00 175.22 175.54 2ast s ARG 3070N -2.23 0.74 -0.06 0.44 1.70 -0.65 -2.21 118.95 116.68 2ast s ARG 3070Ca 0.13 -0.62 -0.10 0.00 -0.47 0.00 0.00 55.73 54.67 2ast s ARG 3070Cb -0.09 0.31 0.02 0.00 -0.57 0.00 0.00 34.95 34.62 2ast s ARG 3070CO 0.06 -0.22 0.24 -0.98 -1.08 0.00 0.00 175.30 173.32 2ast s ARG 3071N -2.67 0.41 0.33 3.89 1.70 -0.55 -0.34 118.95 121.71 2ast s ARG 3071Ca -0.04 0.09 -0.29 0.00 -0.47 0.00 0.00 55.73 55.02 2ast s ARG 3071Cb -0.01 0.18 -0.11 0.00 -0.57 0.00 0.00 34.95 34.45 2ast s ARG 3071CO -0.04 -0.08 1.47 -1.25 -1.08 0.00 0.00 175.30 174.31 2ast s PRO 3072N -0.47 4.19 0.00 3.89 0.04 -1.26 -0.99 135.00 140.40 2ast s PRO 3072Ca -0.06 2.46 0.22 0.00 0.04 0.00 0.00 61.00 63.66 2ast s PRO 3072Cb -0.04 -3.03 1.33 0.00 0.04 0.00 0.00 34.50 32.80 2ast s PRO 3072CO 0.01 -0.47 1.70 -0.11 0.04 0.00 0.00 177.00 178.18