#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pga h ASP 3005N 0.00 0.00 -4.05 -3.46 3.45 -1.24 -3.47 116.42 107.64 2pga h ASP 3005Ca 0.00 -0.09 -0.46 0.00 0.43 0.00 0.00 57.03 56.91 2pga h ASP 3005Cb 0.00 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 38.58 2pga h ASP 3005CO 0.00 0.05 -0.78 0.68 -1.57 0.00 0.00 179.24 177.62 2pga s VAL 3006N -3.21 1.44 0.17 -1.35 -7.23 -1.22 -5.06 120.40 103.93 2pga s VAL 3006Ca 0.05 -1.66 -0.07 0.00 -1.81 0.00 0.00 61.98 58.50 2pga s VAL 3006Cb 0.11 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2pga s VAL 3006CO 0.71 -0.31 1.51 0.15 -0.31 0.00 0.00 175.10 176.85 2pga h PHE 3007N 3.68 0.90 0.00 2.82 3.57 -1.94 -3.33 116.94 122.65 2pga h PHE 3007Ca -0.41 -0.28 -0.38 0.00 3.53 0.00 0.00 57.97 60.42 2pga h PHE 3007Cb 1.19 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 2pga h PHE 3007CO 0.65 1.05 -2.37 0.72 -2.23 0.00 0.00 178.31 176.13 2pga n HIS 3008N -4.02 0.00 0.19 0.41 8.25 -1.26 -4.66 115.22 114.12 2pga n HIS 3008Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.49 2pga n HIS 3008Cb 0.56 -0.91 0.32 0.00 1.12 0.00 0.00 29.99 31.09 2pga n HIS 3008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2pga h LEU 3009N -0.39 0.00 0.83 2.41 3.38 -1.93 -3.44 115.31 116.17 2pga h LEU 3009Ca -0.58 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.18 2pga h LEU 3009Cb 1.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.47 2pga h LEU 3009CO -0.21 0.37 -0.30 0.61 0.09 0.00 0.00 178.44 179.00 2pga n GLY 3010N 0.30 -0.00 3.51 0.83 0.00 -1.25 -4.67 105.19 103.90 2pga n GLY 3010Ca -0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 2pga n GLY 3010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 3011N -3.45 2.76 0.32 0.99 1.43 -1.26 -4.77 118.68 114.70 2pga s LEU 3011Ca 0.09 -0.69 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 2pga s LEU 3011Cb -0.04 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2pga s LEU 3011CO 0.11 0.11 0.12 0.42 0.23 0.00 0.00 176.35 177.34 2pga s THR 3012N -1.69 3.16 0.27 5.49 -4.23 -1.26 -0.65 115.64 116.73 2pga s THR 3012Ca 0.23 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2pga s THR 3012Cb -0.08 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 71.06 2pga s THR 3012CO 0.13 -0.22 1.87 0.50 -0.54 0.00 0.00 174.62 176.36 2pga h LYS 3013N 1.61 1.10 0.00 3.99 3.64 -1.97 -2.05 116.57 122.90 2pga h LYS 3013Ca -0.44 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 2pga h LYS 3013Cb 1.25 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2pga h LYS 3013CO 0.63 0.73 -0.21 -0.97 -2.27 0.00 0.00 179.45 177.36 2pga h ASN 3014N 1.14 0.00 -0.32 4.20 -1.24 -1.95 -1.78 115.58 115.63 2pga h ASN 3014Ca 0.45 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.54 2pga h ASN 3014Cb 0.25 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 2pga h ASN 3014CO -0.20 0.21 0.22 0.44 -1.29 0.00 0.00 177.43 176.82 2pga h ASP 3015N 0.00 0.05 1.73 1.15 3.45 -1.77 -1.79 116.42 119.24 2pga h ASP 3015Ca -0.00 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 2pga h ASP 3015Cb 0.39 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 2pga h ASP 3015CO 0.03 0.03 -0.20 -0.07 -1.57 0.00 0.00 179.24 177.46 2pga h LEU 3016N 0.05 0.00 -1.65 1.55 4.07 -1.38 -3.48 115.31 114.47 2pga h LEU 3016Ca 0.15 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.59 2pga h LEU 3016Cb 0.53 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.16 2pga h LEU 3016CO -0.01 0.20 -0.87 0.00 -1.08 0.00 0.00 178.44 176.68 2pga n GLN 3017N -3.16 -3.24 -0.74 1.13 6.02 -0.67 -1.71 117.38 115.01 2pga n GLN 3017Ca 0.03 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2pga n GLN 3017Cb 0.60 -4.68 0.00 0.00 1.02 0.00 0.00 30.24 27.17 2pga n GLN 3017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pga n GLY 3018N -1.84 0.84 3.67 1.08 0.00 -1.26 -4.65 105.19 103.02 2pga n GLY 3018Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2pga n GLY 3018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga n ALA 3019N 0.21 0.85 -0.16 4.61 0.00 -0.69 -4.89 120.51 120.43 2pga n ALA 3019Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2pga n ALA 3019Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2pga n ALA 3019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pga n GLN 3020N 0.50 2.08 -5.22 0.00 6.02 -1.26 -4.37 117.38 115.13 2pga n GLN 3020Ca 0.06 -0.17 -0.30 0.00 -0.01 0.00 0.00 57.00 56.59 2pga n GLN 3020Cb 0.36 -0.58 -0.16 0.00 1.02 0.00 0.00 30.24 30.87 2pga n GLN 3020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2pga s LEU 3021N -0.69 2.05 -0.05 1.08 0.20 -1.26 -0.85 118.68 119.15 2pga s LEU 3021Ca 0.00 -0.47 0.05 0.00 0.69 0.00 0.00 54.13 54.40 2pga s LEU 3021Cb 0.00 -1.29 -0.00 0.00 -0.43 0.00 0.00 46.19 44.47 2pga s LEU 3021CO 0.00 0.27 -0.20 0.00 -0.29 0.00 0.00 176.35 176.12 2pga s ALA 3022N -0.36 1.80 -0.19 5.97 0.00 0.15 -1.61 121.76 127.51 2pga s ALA 3022Ca 0.03 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 2pga s ALA 3022Cb -0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2pga s ALA 3022CO 0.01 0.32 0.35 0.42 0.00 0.00 0.00 175.76 176.87 2pga s ILE 3023N 0.01 5.24 -0.49 0.00 1.01 0.78 -0.77 121.20 126.98 2pga s ILE 3023Ca -0.05 0.62 0.03 0.00 0.00 0.00 0.00 60.65 61.25 2pga s ILE 3023Cb -0.13 -3.68 0.13 0.00 0.01 0.00 0.00 42.46 38.79 2pga s ILE 3023CO 0.03 0.30 0.26 0.68 0.00 0.00 0.00 174.94 176.20 2pga s VAL 3024N 1.07 2.11 0.77 2.92 -7.23 0.24 -1.50 120.40 118.77 2pga s VAL 3024Ca 0.17 -3.03 -0.12 0.00 -1.81 0.00 0.00 61.98 57.20 2pga s VAL 3024Cb -0.14 -2.47 0.05 0.00 0.56 0.00 0.00 36.38 34.39 2pga s VAL 3024CO 0.07 -0.84 1.13 -2.16 -0.31 0.00 0.00 175.10 172.98 2pga s PRO 3025N -0.06 2.33 0.02 4.82 0.04 -1.24 -3.52 135.00 137.39 2pga s PRO 3025Ca 0.17 0.37 -0.13 0.00 0.04 0.00 0.00 61.00 61.45 2pga s PRO 3025Cb -0.25 -1.97 -0.34 0.00 0.04 0.00 0.00 34.50 31.98 2pga s PRO 3025CO -0.00 -1.39 0.95 0.78 0.04 0.00 0.00 177.00 177.37 2pga h GLY 3026N -0.91 0.55 -6.16 0.56 0.00 -1.83 -1.15 103.07 94.13 2pga h GLY 3026Ca -0.46 -1.41 -0.60 0.00 0.00 0.00 0.00 47.33 44.86 2pga h GLY 3026CO 0.64 1.23 0.15 -0.35 0.00 0.00 0.00 176.54 178.20 2pga s ASP 3027N -7.47 6.65 0.44 0.19 3.68 -1.26 -1.58 116.67 117.31 2pga s ASP 3027Ca -0.10 0.79 0.18 0.00 2.13 0.00 0.00 52.55 55.56 2pga s ASP 3027Cb 0.05 -2.35 1.12 0.00 -1.45 0.00 0.00 42.92 40.29 2pga s ASP 3027CO 0.92 -0.32 1.88 -0.65 0.13 0.00 0.00 175.17 177.14 2pga h PRO 3028N 7.65 0.35 0.00 4.34 0.11 -1.88 -0.12 132.00 142.44 2pga h PRO 3028Ca -0.29 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2pga h PRO 3028Cb 1.13 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pga h PRO 3028CO 0.78 0.23 -0.02 0.93 -0.21 0.00 0.00 178.00 179.70 2pga h GLU 3029N 0.36 0.00 0.00 1.05 5.08 -1.96 -2.47 114.58 116.64 2pga h GLU 3029Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2pga h GLU 3029Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2pga h GLU 3029CO -0.14 0.02 -0.17 -2.13 -1.00 0.00 0.00 179.01 175.60 2pga n ARG 3030N -3.13 0.04 0.09 2.33 0.63 -0.06 -4.26 116.66 112.30 2pga n ARG 3030Ca 0.00 0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.82 2pga n ARG 3030Cb 0.29 -1.54 -0.08 0.00 0.45 0.00 0.00 32.46 31.58 2pga n ARG 3030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2pga h VAL 3031N 0.00 0.96 -0.43 5.15 2.07 -1.49 -2.57 116.25 119.94 2pga h VAL 3031Ca 0.00 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2pga h VAL 3031Cb 0.53 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2pga h VAL 3031CO 0.00 0.13 0.13 -0.08 0.02 0.00 0.00 177.57 177.77 2pga h GLU 3032N -0.49 0.63 -0.72 1.57 4.22 -1.77 -1.65 114.58 116.38 2pga h GLU 3032Ca -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.30 2pga h GLU 3032Cb 0.38 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2pga h GLU 3032CO 0.04 0.56 0.39 -0.22 -2.18 0.00 0.00 179.01 177.60 2pga h LYS 3033N 0.62 0.99 -0.02 1.92 3.64 -1.71 0.12 116.57 122.12 2pga h LYS 3033Ca 0.15 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 2pga h LYS 3033Cb 0.20 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2pga h LYS 3033CO -0.01 0.72 -0.61 0.82 -2.27 0.00 0.00 179.45 178.11 2pga h ILE 3034N 1.00 1.40 -0.57 2.00 2.04 -1.05 -3.25 117.51 119.09 2pga h ILE 3034Ca 0.25 -2.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.08 2pga h ILE 3034Cb 0.02 2.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 2pga h ILE 3034CO -0.04 0.60 0.35 0.00 0.00 0.00 0.00 178.15 179.05 2pga h ALA 3035N 0.36 1.55 0.00 1.87 0.00 -1.05 -2.51 119.26 119.48 2pga h ALA 3035Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pga h ALA 3035Cb 1.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2pga h ALA 3035CO 0.12 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2pga n ALA 3036N -2.45 1.70 0.80 0.00 0.00 0.01 -1.46 120.51 119.11 2pga n ALA 3036Ca 0.05 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.69 2pga n ALA 3036Cb 0.07 -1.37 0.49 0.00 0.00 0.00 0.00 19.45 18.63 2pga n ALA 3036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pga n LEU 3037N -2.13 0.44 -4.91 0.00 4.77 -0.94 -4.86 117.00 109.37 2pga n LEU 3037Ca 0.03 0.51 -0.27 0.00 -0.03 0.00 0.00 56.01 56.25 2pga n LEU 3037Cb 0.23 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2pga n LEU 3037CO 0.20 -0.09 0.06 -0.04 -1.33 0.00 0.00 177.39 176.19 2pga s MET 3038N -3.06 2.23 0.36 3.23 -1.94 -0.54 -5.11 119.30 114.48 2pga s MET 3038Ca 0.12 -2.08 -0.18 0.00 -1.71 0.00 0.00 55.69 51.83 2pga s MET 3038Cb 0.15 -2.07 -0.10 0.00 2.01 0.00 0.00 34.83 34.83 2pga s MET 3038CO 0.58 -0.68 0.84 -0.51 -0.01 0.00 0.00 175.02 175.23 2pga s ASP 3039N -4.31 6.89 -1.32 3.03 1.01 -0.57 -4.39 116.67 117.01 2pga s ASP 3039Ca 0.31 1.49 -0.04 0.00 0.71 0.00 0.00 52.55 55.03 2pga s ASP 3039Cb -0.02 -2.46 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 2pga s ASP 3039CO 0.20 -0.25 0.58 0.29 0.21 0.00 0.00 175.17 176.19 2pga n LYS 3040N -0.38 -3.35 -2.30 8.23 5.02 -1.26 0.40 118.16 124.51 2pga n LYS 3040Ca 0.05 0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 56.40 2pga n LYS 3040Cb 0.53 -4.65 -0.03 0.00 -0.02 0.00 0.00 35.03 30.86 2pga n LYS 3040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pga s PRO 3041N -6.25 4.41 -0.03 1.97 0.04 -1.26 -4.31 135.00 129.57 2pga s PRO 3041Ca 0.10 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2pga s PRO 3041Cb -0.03 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.27 2pga s PRO 3041CO 0.86 -0.27 0.01 0.08 0.04 0.00 0.00 177.00 177.72 2pga s VAL 3042N 0.65 0.10 0.16 -0.36 1.01 0.46 -4.99 120.40 117.43 2pga s VAL 3042Ca 0.59 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 2pga s VAL 3042Cb -0.33 -0.21 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 2pga s VAL 3042CO 0.33 0.13 1.23 -0.75 0.00 0.00 0.00 175.10 176.03 2pga s LYS 3043N 1.02 4.45 -0.24 2.72 2.20 -1.26 -0.37 119.74 128.26 2pga s LYS 3043Ca -0.10 1.90 -0.15 0.00 -0.36 0.00 0.00 55.97 57.26 2pga s LYS 3043Cb -0.13 -3.25 -0.10 0.00 -1.51 0.00 0.00 37.83 32.84 2pga s LYS 3043CO -0.02 -0.18 -0.35 1.28 -0.36 0.00 0.00 175.35 175.73 2pga n LEU 3044N 2.94 1.91 -3.66 5.43 4.77 0.07 -4.89 117.00 123.57 2pga n LEU 3044Ca 0.06 0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 56.30 2pga n LEU 3044Cb 0.44 -0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 2pga n LEU 3044CO 0.56 0.26 0.60 0.00 -1.33 0.00 0.00 177.39 177.48 2pga s ALA 3045N -2.64 -1.59 -0.24 -1.18 0.00 -1.00 -5.01 121.76 110.10 2pga s ALA 3045Ca -0.34 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 2pga s ALA 3045Cb 0.11 0.68 0.13 0.00 0.00 0.00 0.00 23.12 24.04 2pga s ALA 3045CO 0.46 -0.91 0.36 0.45 0.00 0.00 0.00 175.76 176.11 2pga s SER 3046N -2.80 0.42 -0.01 0.00 0.15 -1.26 -0.96 113.70 109.24 2pga s SER 3046Ca 0.08 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2pga s SER 3046Cb -0.02 1.01 0.02 0.00 -1.71 0.00 0.00 66.02 65.32 2pga s SER 3046CO -0.02 -0.31 -0.00 -1.00 1.20 0.00 0.00 173.24 173.11 2pga s HIS 3047N 2.51 0.18 0.00 3.44 3.76 -0.62 -5.00 115.29 119.57 2pga s HIS 3047Ca 0.12 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 2pga s HIS 3047Cb -0.15 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.31 2pga s HIS 3047CO -0.16 -0.06 0.00 0.54 -0.85 0.00 0.00 174.74 174.20 2pga n ARG 3048N 3.66 0.00 -0.36 1.40 1.74 -1.26 -0.22 116.66 121.62 2pga n ARG 3048Ca -0.21 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.93 2pga n ARG 3048Cb 0.54 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.20 2pga n ARG 3048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2pga n GLU 3049N 14.00 2.59 -3.55 5.56 0.00 -1.26 -4.76 120.64 133.22 2pga n GLU 3049Ca 0.00 -1.69 -0.41 0.00 0.00 0.00 0.00 57.16 55.06 2pga n GLU 3049Cb 0.00 -1.62 -0.08 0.00 0.00 0.00 0.00 31.44 29.75 2pga n GLU 3049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2pga s PHE 3050N -1.70 3.47 -0.16 -1.84 0.40 0.70 -3.84 117.98 115.00 2pga s PHE 3050Ca 0.30 -2.04 -0.04 0.00 -0.60 0.00 0.00 56.93 54.55 2pga s PHE 3050Cb 0.19 -3.50 -0.03 0.00 0.51 0.00 0.00 43.02 40.20 2pga s PHE 3050CO 0.15 -0.97 -0.02 0.99 0.70 0.00 0.00 175.22 176.07 2pga s THR 3051N 0.94 4.05 -0.03 0.64 2.01 -1.26 -1.58 115.64 120.41 2pga s THR 3051Ca 0.09 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.84 2pga s THR 3051Cb -0.23 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 2pga s THR 3051CO -0.02 0.48 -0.15 -0.94 -0.69 0.00 0.00 174.62 173.30 2pga s SER 3052N 0.42 1.82 0.13 3.53 1.04 -0.13 -1.43 113.70 119.08 2pga s SER 3052Ca -0.02 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.17 2pga s SER 3052Cb -0.14 -0.36 -0.04 0.00 0.10 0.00 0.00 66.02 65.58 2pga s SER 3052CO 0.02 0.15 -0.12 0.26 0.98 0.00 0.00 173.24 174.53 2pga s TRP 3053N -0.12 1.35 0.11 5.02 0.52 0.66 -0.75 118.94 125.73 2pga s TRP 3053Ca 0.01 -0.62 0.08 0.00 0.02 0.00 0.00 56.10 55.59 2pga s TRP 3053Cb -0.08 -0.69 -0.04 0.00 -1.15 0.00 0.00 33.47 31.51 2pga s TRP 3053CO 0.01 0.13 -0.17 0.50 0.02 0.00 0.00 176.95 177.44 2pga s ARG 3054N -3.07 1.87 0.17 4.98 3.52 0.50 -0.94 118.95 125.98 2pga s ARG 3054Ca 0.12 -1.13 -0.01 0.00 -0.13 0.00 0.00 55.73 54.57 2pga s ARG 3054Cb -0.02 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 2pga s ARG 3054CO 0.02 0.49 0.24 0.00 -0.81 0.00 0.00 175.30 175.24 2pga n ALA 3055N 0.86 -0.18 -2.68 6.12 0.00 -0.19 -0.41 120.51 124.03 2pga n ALA 3055Ca -0.15 -0.78 -0.22 0.00 0.00 0.00 0.00 53.44 52.28 2pga n ALA 3055Cb 0.53 0.63 -0.15 0.00 0.00 0.00 0.00 19.45 20.45 2pga n ALA 3055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pga s GLU 3056N -2.38 1.17 -0.15 0.00 2.02 0.16 -0.80 118.70 118.72 2pga s GLU 3056Ca 0.14 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.65 2pga s GLU 3056Cb -0.01 -1.11 0.04 0.00 0.10 0.00 0.00 34.13 33.16 2pga s GLU 3056CO 0.10 0.26 -0.05 -1.17 0.02 0.00 0.00 175.26 174.42 2pga s LEU 3057N -0.20 1.48 -1.56 1.80 2.96 0.17 -1.51 118.68 121.81 2pga s LEU 3057Ca 0.03 -0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 2pga s LEU 3057Cb -0.07 -0.86 0.09 0.00 0.50 0.00 0.00 46.19 45.85 2pga s LEU 3057CO -0.00 -0.18 0.77 0.47 -1.32 0.00 0.00 176.35 176.09 2pga n ASP 3058N 4.91 -3.03 0.00 3.68 10.43 -1.26 -1.02 116.55 130.26 2pga n ASP 3058Ca -0.12 -0.92 0.00 0.00 2.57 0.00 0.00 54.79 56.32 2pga n ASP 3058Cb 0.48 -3.29 0.00 0.00 1.84 0.00 0.00 41.12 40.16 2pga n ASP 3058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pga n GLY 3059N -1.63 2.01 3.63 0.44 0.00 -1.26 -5.02 105.19 103.36 2pga n GLY 3059Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2pga n GLY 3059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pga s LYS 3060N -0.17 3.40 0.42 1.61 1.02 -0.18 -5.05 119.74 120.79 2pga s LYS 3060Ca 0.00 -0.41 -0.26 0.00 0.02 0.00 0.00 55.97 55.32 2pga s LYS 3060Cb 0.00 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.29 2pga s LYS 3060CO 0.00 0.50 1.36 0.00 -0.92 0.00 0.00 175.35 176.29 2pga s ALA 3061N -0.30 3.28 0.02 5.17 0.00 -1.26 -0.66 121.76 128.01 2pga s ALA 3061Ca 0.07 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2pga s ALA 3061Cb -0.12 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2pga s ALA 3061CO 0.02 -0.98 -0.03 0.08 0.00 0.00 0.00 175.76 174.84 2pga s VAL 3062N -1.23 0.16 -0.03 0.00 1.01 0.02 -4.26 120.40 116.08 2pga s VAL 3062Ca 0.58 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2pga s VAL 3062Cb -0.41 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2pga s VAL 3062CO 0.53 -0.36 0.01 -0.63 0.00 0.00 0.00 175.10 174.64 2pga s ILE 3063N -1.11 4.24 -0.17 2.22 -1.09 -0.64 -1.02 121.20 123.63 2pga s ILE 3063Ca -0.11 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 2pga s ILE 3063Cb -0.08 -2.85 0.02 0.00 -1.58 0.00 0.00 42.46 37.97 2pga s ILE 3063CO -0.01 0.45 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.27 2pga s VAL 3064N -1.02 2.09 -0.05 2.92 1.01 -0.11 -0.16 120.40 125.07 2pga s VAL 3064Ca 0.18 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2pga s VAL 3064Cb -0.11 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.44 2pga s VAL 3064CO 0.08 0.54 0.10 0.00 0.00 0.00 0.00 175.10 175.82 2pga s SER 3066N 1.57 5.85 -0.01 0.00 1.04 -0.51 -3.70 113.70 117.94 2pga s SER 3066Ca -0.04 1.75 0.11 0.00 0.48 0.00 0.00 55.95 58.25 2pga s SER 3066Cb -0.12 -2.52 -0.14 0.00 0.10 0.00 0.00 66.02 63.33 2pga s SER 3066CO -0.05 -1.12 0.35 0.35 0.98 0.00 0.00 173.24 173.76 2pga n THR 3067N -2.12 0.00 -0.51 2.02 -2.24 -0.43 -4.43 114.28 106.57 2pga n THR 3067Ca 0.08 -0.25 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2pga n THR 3067Cb 0.53 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 2pga n THR 3067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pga n GLY 3068N 1.54 -1.62 3.71 3.38 0.00 -0.61 -3.05 105.19 108.55 2pga n GLY 3068Ca 0.00 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 2pga n GLY 3068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 3069N -1.61 4.92 0.00 -0.61 1.01 -1.26 -4.67 121.20 118.97 2pga s ILE 3069Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.49 2pga s ILE 3069Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2pga s ILE 3069CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2pga n GLY 3070N 3.00 2.47 0.33 6.18 0.00 -1.25 -4.62 105.19 111.30 2pga n GLY 3070Ca 0.04 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.37 2pga n GLY 3070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pga h GLY 3071N 0.00 1.55 0.84 -0.02 0.00 -1.83 -2.02 103.07 101.59 2pga h GLY 3071Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2pga h GLY 3071CO 0.00 0.03 0.02 -2.55 0.00 0.00 0.00 176.54 174.04 2pga h PRO 3072N 0.78 0.11 -0.15 4.80 0.11 -1.93 0.19 132.00 135.92 2pga h PRO 3072Ca 0.50 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.46 2pga h PRO 3072Cb 0.64 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 2pga h PRO 3072CO -0.33 0.26 -0.43 0.66 -0.21 0.00 0.00 178.00 177.95 2pga h SER 3073N -0.06 0.37 -0.90 -2.05 4.64 -1.78 -2.62 113.55 111.14 2pga h SER 3073Ca 0.02 -0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2pga h SER 3073Cb 0.19 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.12 2pga h SER 3073CO -0.00 0.76 0.57 0.74 -0.87 0.00 0.00 176.83 178.03 2pga h THR 3074N 0.29 1.09 -0.07 2.95 2.02 -1.06 -1.94 112.91 116.19 2pga h THR 3074Ca 0.02 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 2pga h THR 3074Cb 0.88 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2pga h THR 3074CO 0.07 0.19 -0.34 0.77 0.37 0.00 0.00 175.52 176.59 2pga h SER 3075N 1.06 0.13 -0.02 4.18 4.64 -0.26 -0.71 113.55 122.57 2pga h SER 3075Ca 0.38 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 2pga h SER 3075Cb 0.12 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2pga h SER 3075CO -0.16 0.47 -0.01 0.40 -0.87 0.00 0.00 176.83 176.66 2pga h ILE 3076N 0.11 1.37 -0.61 0.95 2.04 -1.22 -2.05 117.51 118.10 2pga h ILE 3076Ca 0.01 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 2pga h ILE 3076Cb 0.66 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 2pga h ILE 3076CO 0.05 0.29 0.35 0.00 0.00 0.00 0.00 178.15 178.84 2pga h ALA 3077N 0.55 0.78 -0.06 1.87 0.00 -1.00 -1.46 119.26 119.94 2pga h ALA 3077Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2pga h ALA 3077Cb 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pga h ALA 3077CO 0.00 0.28 0.00 0.28 0.00 0.00 0.00 179.25 179.82 2pga h VAL 3078N 0.83 1.23 -0.36 0.00 2.07 -1.19 -1.04 116.25 117.79 2pga h VAL 3078Ca 0.22 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 67.08 2pga h VAL 3078Cb 0.01 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2pga h VAL 3078CO -0.04 0.20 0.07 -0.08 0.02 0.00 0.00 177.57 177.74 2pga h GLU 3079N -0.17 0.18 -0.07 1.57 4.57 -1.29 0.07 114.58 119.45 2pga h GLU 3079Ca 0.02 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 2pga h GLU 3079Cb 0.31 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2pga h GLU 3079CO 0.00 0.12 -0.60 0.93 -1.18 0.00 0.00 179.01 178.28 2pga h GLU 3080N 0.19 0.23 -0.59 1.92 5.08 -1.17 -0.58 114.58 119.66 2pga h GLU 3080Ca 0.17 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2pga h GLU 3080Cb 0.20 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2pga h GLU 3080CO -0.23 0.76 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.44 2pga h LEU 3081N 0.17 1.04 -0.98 1.33 3.38 -1.00 -2.31 115.31 116.94 2pga h LEU 3081Ca -0.01 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2pga h LEU 3081Cb 1.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2pga h LEU 3081CO 0.09 1.11 0.41 0.00 0.09 0.00 0.00 178.44 180.14 2pga h ALA 3082N 0.99 1.21 -0.25 1.53 0.00 -0.57 -0.76 119.26 121.42 2pga h ALA 3082Ca 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2pga h ALA 3082Cb 0.59 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2pga h ALA 3082CO 0.04 0.62 0.05 1.96 0.00 0.00 0.00 179.25 181.91 2pga h GLN 3083N 1.13 0.35 -0.00 0.00 4.20 -0.82 -1.96 115.11 118.01 2pga h GLN 3083Ca 0.28 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2pga h GLN 3083Cb 0.07 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2pga h GLN 3083CO -0.04 0.34 -0.13 1.28 -0.67 0.00 0.00 178.83 179.61 2pga n LEU 3084N -4.38 0.51 0.00 1.46 4.77 -0.42 -4.91 117.00 114.03 2pga n LEU 3084Ca 0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pga n LEU 3084Cb 0.17 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2pga n LEU 3084CO 0.37 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2pga n GLY 3085N 1.30 0.97 3.74 -0.72 0.00 -0.58 -4.82 105.19 105.08 2pga n GLY 3085Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2pga n GLY 3085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 3086N -2.00 3.41 0.00 -0.61 -1.09 -0.45 -4.57 121.20 115.89 2pga s ILE 3086Ca 0.00 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.62 2pga s ILE 3086Cb 0.00 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 2pga s ILE 3086CO 0.00 0.20 0.00 0.54 -1.23 0.00 0.00 174.94 174.45 2pga n ARG 3087N 2.34 4.83 -4.28 2.79 5.12 -0.03 -4.20 116.66 123.23 2pga n ARG 3087Ca 0.04 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.74 2pga n ARG 3087Cb 0.44 -0.48 -0.16 0.00 -1.16 0.00 0.00 32.46 31.10 2pga n ARG 3087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2pga s THR 3088N -0.92 0.76 -0.09 0.55 2.01 -0.96 -0.55 115.64 116.44 2pga s THR 3088Ca 0.00 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.78 2pga s THR 3088Cb 0.00 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.77 2pga s THR 3088CO 0.00 0.28 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.68 2pga s PHE 3089N 0.91 1.94 -0.26 4.92 0.40 0.12 -0.68 117.98 125.34 2pga s PHE 3089Ca -0.11 -0.81 0.01 0.00 -0.60 0.00 0.00 56.93 55.42 2pga s PHE 3089Cb -0.15 -1.37 0.05 0.00 0.51 0.00 0.00 43.02 42.06 2pga s PHE 3089CO 0.01 -0.38 -0.09 -0.51 0.70 0.00 0.00 175.22 174.94 2pga s LEU 3090N 0.68 3.35 0.03 -0.37 1.43 0.05 -1.02 118.68 122.83 2pga s LEU 3090Ca -0.13 -1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 51.49 2pga s LEU 3090Cb -0.16 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 2pga s LEU 3090CO 0.03 -0.17 0.83 -0.60 0.23 0.00 0.00 176.35 176.67 2pga s ARG 3091N 1.18 4.54 -0.17 1.70 3.52 -0.20 -0.60 118.95 128.92 2pga s ARG 3091Ca -0.05 1.18 0.01 0.00 -0.13 0.00 0.00 55.73 56.73 2pga s ARG 3091Cb -0.19 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 2pga s ARG 3091CO -0.05 0.17 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.93 2pga s ILE 3092N 0.31 1.85 0.03 4.11 -1.16 -1.23 -1.15 121.20 123.96 2pga s ILE 3092Ca 0.43 -0.81 0.01 0.00 -0.51 0.00 0.00 60.65 59.76 2pga s ILE 3092Cb -0.21 -1.70 -0.00 0.00 0.61 0.00 0.00 42.46 41.16 2pga s ILE 3092CO 0.24 0.50 0.02 0.61 -2.81 0.00 0.00 174.94 173.51 2pga n GLY 3093N 4.68 3.95 3.56 1.50 0.00 -0.71 -4.13 105.19 114.04 2pga n GLY 3093Ca -0.19 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 43.83 2pga n GLY 3093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pga s THR 3094N -2.03 3.09 -0.06 2.61 -4.23 -1.26 -2.11 115.64 111.65 2pga s THR 3094Ca 0.03 -1.85 -0.22 0.00 -1.18 0.00 0.00 61.69 58.47 2pga s THR 3094Cb 0.00 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.31 2pga s THR 3094CO 0.02 -0.22 0.49 0.28 -0.54 0.00 0.00 174.62 174.66 2pga s THR 3095N -1.97 0.02 -0.24 3.99 -1.32 -1.04 -4.83 115.64 110.26 2pga s THR 3095Ca 0.27 -0.21 -0.14 0.00 -1.21 0.00 0.00 61.69 60.40 2pga s THR 3095Cb -0.08 -0.78 -0.04 0.00 -1.51 0.00 0.00 72.50 70.09 2pga s THR 3095CO 0.16 -0.11 0.33 -0.83 -2.21 0.00 0.00 174.62 171.96 2pga s GLY 3096N -0.99 1.98 0.40 6.08 0.00 -1.09 -1.40 107.32 112.30 2pga s GLY 3096Ca -0.10 -0.74 -0.19 0.00 0.00 0.00 0.00 44.72 43.69 2pga s GLY 3096CO 0.06 0.80 0.89 0.00 0.00 0.00 0.00 173.10 174.85 2pga s ALA 3097N 1.59 3.12 0.00 3.20 0.00 -0.34 -0.76 121.76 128.57 2pga s ALA 3097Ca 0.15 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2pga s ALA 3097Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2pga s ALA 3097CO 0.08 0.19 0.63 0.44 0.00 0.00 0.00 175.76 177.10 2pga n ILE 3098N -0.55 0.35 -3.76 0.00 -5.35 -0.15 0.41 119.36 110.30 2pga n ILE 3098Ca 0.06 -0.59 -0.35 0.00 -0.27 0.00 0.00 62.75 61.59 2pga n ILE 3098Cb 0.54 0.92 -0.08 0.00 -1.74 0.00 0.00 39.64 39.28 2pga n ILE 3098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2pga s GLN 3099N -0.35 4.02 0.57 6.28 -1.52 -1.24 -4.72 119.66 122.69 2pga s GLN 3099Ca 0.00 -0.20 0.27 0.00 -1.95 0.00 0.00 55.36 53.48 2pga s GLN 3099Cb 0.00 -3.37 1.53 0.00 -0.22 0.00 0.00 33.01 30.96 2pga s GLN 3099CO 0.00 0.41 2.05 -1.00 -0.25 0.00 0.00 175.29 176.50 2pga h PRO 3100N 6.28 0.00 -0.04 2.91 0.13 -1.96 -1.88 132.00 137.45 2pga h PRO 3100Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2pga h PRO 3100Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2pga h PRO 3100CO 0.72 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.10 2pga n HIS 3101N -4.00 0.03 -3.53 1.56 1.44 -1.26 -4.78 115.22 104.68 2pga n HIS 3101Ca 0.04 -0.02 -0.42 0.00 -2.01 0.00 0.00 57.72 55.32 2pga n HIS 3101Cb 0.42 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.42 2pga n HIS 3101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2pga s ILE 3102N -1.97 4.97 0.29 0.61 1.01 -0.71 -5.07 121.20 120.34 2pga s ILE 3102Ca 0.37 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 2pga s ILE 3102Cb 0.21 -3.74 -0.07 0.00 0.01 0.00 0.00 42.46 38.86 2pga s ILE 3102CO 0.32 -0.24 0.64 0.20 0.00 0.00 0.00 174.94 175.87 2pga s ASN 3103N 1.63 6.63 0.22 3.58 0.01 -1.26 -4.85 114.94 120.91 2pga s ASN 3103Ca 0.04 1.04 -0.32 0.00 -0.71 0.00 0.00 52.86 52.91 2pga s ASN 3103Cb -0.19 -2.28 -0.13 0.00 0.41 0.00 0.00 41.25 39.06 2pga s ASN 3103CO 0.09 -0.18 1.49 0.52 -1.51 0.00 0.00 177.10 177.50 2pga n VAL 3104N -0.49 0.68 0.00 1.60 0.31 -1.26 -1.32 118.33 117.84 2pga n VAL 3104Ca 0.01 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2pga n VAL 3104Cb 0.53 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2pga n VAL 3104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pga n GLY 3105N 2.54 0.49 3.69 2.92 0.00 0.15 -4.77 105.19 110.21 2pga n GLY 3105Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2pga n GLY 3105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pga s ASP 3106N -2.27 3.28 -0.14 1.61 -0.00 -0.44 -4.63 116.67 114.08 2pga s ASP 3106Ca 0.00 1.73 -0.02 0.00 -0.00 0.00 0.00 52.55 54.26 2pga s ASP 3106Cb 0.00 -2.36 -0.02 0.00 -0.00 0.00 0.00 42.92 40.54 2pga s ASP 3106CO 0.00 -2.80 -0.08 -0.69 -0.00 0.00 0.00 175.17 171.60 2pga s VAL 3107N -2.80 3.51 -0.15 -1.27 1.01 -0.79 -0.98 120.40 118.93 2pga s VAL 3107Ca 0.64 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 2pga s VAL 3107Cb -0.20 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2pga s VAL 3107CO 0.58 0.51 -0.13 -0.76 0.00 0.00 0.00 175.10 175.29 2pga s LEU 3108N 0.37 2.64 -0.21 3.92 1.43 0.12 -0.81 118.68 126.15 2pga s LEU 3108Ca -0.07 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 2pga s LEU 3108Cb -0.15 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2pga s LEU 3108CO 0.04 0.12 0.02 -0.69 0.23 0.00 0.00 176.35 176.07 2pga s VAL 3109N 0.62 4.10 -0.25 -1.59 1.01 0.01 -1.01 120.40 123.29 2pga s VAL 3109Ca -0.07 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 2pga s VAL 3109Cb -0.16 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2pga s VAL 3109CO 0.03 0.41 0.50 -0.89 0.00 0.00 0.00 175.10 175.15 2pga s THR 3110N 1.05 5.09 0.05 3.92 2.01 -0.82 -1.64 115.64 125.30 2pga s THR 3110Ca 0.03 0.86 -0.07 0.00 0.31 0.00 0.00 61.69 62.82 2pga s THR 3110Cb -0.14 -3.82 -0.30 0.00 0.01 0.00 0.00 72.50 68.25 2pga s THR 3110CO 0.02 0.12 1.04 0.71 -0.69 0.00 0.00 174.62 175.82 2pga h THR 3111N 5.32 1.37 -2.46 -0.82 1.35 -1.01 -3.41 112.91 113.24 2pga h THR 3111Ca -0.30 -2.92 0.09 0.00 -0.55 0.00 0.00 66.41 62.73 2pga h THR 3111Cb 1.15 2.92 -0.13 0.00 -1.73 0.00 0.00 68.15 70.36 2pga h THR 3111CO 0.72 0.86 0.42 0.00 -0.25 0.00 0.00 175.52 177.27 2pga s ALA 3112N -2.63 -1.73 0.07 6.62 0.00 -1.25 -1.05 121.76 121.78 2pga s ALA 3112Ca -0.06 0.74 0.09 0.00 0.00 0.00 0.00 51.96 52.73 2pga s ALA 3112Cb 0.06 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 2pga s ALA 3112CO 0.89 -0.76 -0.25 -1.12 0.00 0.00 0.00 175.76 174.52 2pga s SER 3113N -2.61 3.01 -0.02 0.00 0.01 -0.36 -1.80 113.70 111.92 2pga s SER 3113Ca 0.05 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 2pga s SER 3113Cb -0.01 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 2pga s SER 3113CO -0.08 0.21 1.21 -0.69 0.41 0.00 0.00 173.24 174.30 2pga s VAL 3114N -0.89 4.18 -1.11 3.43 1.01 0.12 -4.36 120.40 122.78 2pga s VAL 3114Ca 0.11 1.53 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 2pga s VAL 3114Cb -0.10 -3.98 0.14 0.00 0.00 0.00 0.00 36.38 32.44 2pga s VAL 3114CO 0.03 0.03 1.36 -0.13 0.00 0.00 0.00 175.10 176.39 2pga s ARG 3115N 1.90 3.88 -0.44 2.72 0.52 -1.26 -1.50 118.95 124.77 2pga s ARG 3115Ca 0.57 -2.16 0.04 0.00 -0.52 0.00 0.00 55.73 53.66 2pga s ARG 3115Cb -0.26 -5.07 0.65 0.00 0.52 0.00 0.00 34.95 30.79 2pga s ARG 3115CO 0.24 -1.84 1.89 1.28 0.02 0.00 0.00 175.30 176.89 2pga n LEU 3116N 6.40 6.59 -4.78 2.53 4.77 -0.11 -4.93 117.00 127.46 2pga n LEU 3116Ca 0.33 -3.64 -0.32 0.00 -0.03 0.00 0.00 56.01 52.36 2pga n LEU 3116Cb 0.46 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 2pga n LEU 3116CO 0.60 1.08 -0.20 1.51 -1.33 0.00 0.00 177.39 179.04 2pga s ASP 3117N -1.40 4.22 -0.10 -1.43 3.84 -1.19 -1.76 116.67 118.86 2pga s ASP 3117Ca 0.56 -1.56 0.09 0.00 -0.00 0.00 0.00 52.55 51.64 2pga s ASP 3117Cb 0.48 0.45 -0.13 0.00 -1.38 0.00 0.00 42.92 42.34 2pga s ASP 3117CO 0.10 -0.88 0.04 0.61 -0.00 0.00 0.00 175.17 175.04 2pga n GLY 3118N -1.34 -0.50 0.24 2.12 0.00 -1.26 -4.71 105.19 99.74 2pga n GLY 3118Ca -0.15 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.72 2pga n GLY 3118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga h ALA 3119N 0.51 1.48 -0.33 4.61 0.00 -1.98 -2.67 119.26 120.88 2pga h ALA 3119Ca -0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2pga h ALA 3119Cb 1.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2pga h ALA 3119CO 0.01 0.37 0.12 0.66 0.00 0.00 0.00 179.25 180.41 2pga h SER 3120N 0.25 0.42 0.60 0.00 4.64 -1.85 -0.21 113.55 117.39 2pga h SER 3120Ca 0.05 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2pga h SER 3120Cb 0.39 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2pga h SER 3120CO 0.02 0.39 0.00 -0.07 -0.87 0.00 0.00 176.83 176.30 2pga h LEU 3121N 0.46 0.00 0.00 5.97 3.38 -1.58 -0.99 115.31 122.55 2pga h LEU 3121Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pga h LEU 3121Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2pga h LEU 3121CO -0.01 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.93 2pga n HIS 3122N -2.89 0.00 -0.01 1.13 8.25 -0.09 -3.89 115.22 117.72 2pga n HIS 3122Ca -0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2pga n HIS 3122Cb 0.20 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 2pga n HIS 3122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2pga n PHE 3123N -1.28 0.00 -3.63 4.41 3.01 -0.48 -5.08 117.46 114.41 2pga n PHE 3123Ca 0.14 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.45 2pga n PHE 3123Cb 0.23 -0.09 -0.07 0.00 -0.01 0.00 0.00 39.48 39.53 2pga n PHE 3123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pga s ALA 3124N -2.05 -1.39 0.92 4.37 0.00 -0.62 -5.01 121.76 117.99 2pga s ALA 3124Ca -0.01 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2pga s ALA 3124Cb 0.01 -0.22 0.15 0.00 0.00 0.00 0.00 23.12 23.05 2pga s ALA 3124CO 0.07 -0.31 1.10 -1.25 0.00 0.00 0.00 175.76 175.37 2pga s PRO 3125N -0.84 1.00 0.54 0.00 0.04 -1.26 -3.87 135.00 130.61 2pga s PRO 3125Ca -0.09 1.11 0.23 0.00 0.04 0.00 0.00 61.00 62.29 2pga s PRO 3125Cb -0.03 -1.76 1.50 0.00 0.04 0.00 0.00 34.50 34.26 2pga s PRO 3125CO 0.06 -2.50 2.17 1.98 0.04 0.00 0.00 177.00 178.75 2pga h MET 3126N -1.75 0.00 0.00 4.56 4.05 -1.94 -0.89 114.93 118.96 2pga h MET 3126Ca -0.49 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.93 2pga h MET 3126Cb 1.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2pga h MET 3126CO 0.49 0.03 -0.03 0.93 0.23 0.00 0.00 176.91 178.57 2pga h GLU 3127N 0.00 0.00 -6.65 0.39 3.07 -2.03 -3.43 114.58 105.94 2pga h GLU 3127Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.34 2pga h GLU 3127Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2pga h GLU 3127CO 0.00 0.03 0.46 0.12 -1.40 0.00 0.00 179.01 178.22 2pga s PHE 3128N -4.13 3.64 0.13 4.33 2.19 -0.34 -4.99 117.98 118.80 2pga s PHE 3128Ca -0.03 1.64 -0.30 0.00 0.33 0.00 0.00 56.93 58.57 2pga s PHE 3128Cb 0.13 -3.23 -0.06 0.00 -1.31 0.00 0.00 43.02 38.54 2pga s PHE 3128CO 0.50 -0.45 0.98 -1.25 1.83 0.00 0.00 175.22 176.83 2pga s PRO 3129N -0.34 4.69 -1.34 10.12 0.04 -1.26 -4.93 135.00 141.97 2pga s PRO 3129Ca 0.49 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 2pga s PRO 3129Cb -0.28 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 30.93 2pga s PRO 3129CO 0.34 0.20 2.00 0.00 0.04 0.00 0.00 177.00 179.58 2pga n ALA 3130N 2.68 4.40 -2.69 8.56 0.00 -1.26 -4.76 120.51 127.44 2pga n ALA 3130Ca 0.02 -3.79 -0.35 0.00 0.00 0.00 0.00 53.44 49.33 2pga n ALA 3130Cb 0.49 -3.57 -0.09 0.00 0.00 0.00 0.00 19.45 16.27 2pga n ALA 3130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pga s VAL 3131N 4.14 4.33 0.58 0.00 0.11 -1.26 -1.23 120.40 127.08 2pga s VAL 3131Ca 0.52 -0.24 -0.14 0.00 -2.93 0.00 0.00 61.98 59.19 2pga s VAL 3131Cb 0.09 -2.82 -0.05 0.00 -1.53 0.00 0.00 36.38 32.07 2pga s VAL 3131CO 0.00 0.60 1.02 0.00 -3.33 0.00 0.00 175.10 173.40 2pga s ALA 3132N -0.86 2.98 0.32 1.54 0.00 -0.22 -4.65 121.76 120.87 2pga s ALA 3132Ca 0.13 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 2pga s ALA 3132Cb -0.11 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 2pga s ALA 3132CO 0.02 -0.58 1.28 0.34 0.00 0.00 0.00 175.76 176.83 2pga s ASP 3133N -3.42 6.84 0.11 0.00 -1.08 -0.10 -4.94 116.67 114.08 2pga s ASP 3133Ca 0.58 2.63 -0.17 0.00 -0.52 0.00 0.00 52.55 55.08 2pga s ASP 3133Cb -0.12 -2.65 -0.05 0.00 -1.46 0.00 0.00 42.92 38.65 2pga s ASP 3133CO 0.41 -0.48 1.57 0.15 0.52 0.00 0.00 175.17 177.34 2pga h PHE 3134N 3.44 0.60 -0.52 -5.34 3.57 -1.95 -1.35 116.94 115.40 2pga h PHE 3134Ca -0.49 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 60.96 2pga h PHE 3134Cb 1.22 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 2pga h PHE 3134CO 0.56 0.65 0.27 0.00 -2.23 0.00 0.00 178.31 177.56 2pga h ALA 3135N 0.88 0.66 -0.30 2.41 0.00 -1.96 -0.82 119.26 120.13 2pga h ALA 3135Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2pga h ALA 3135Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2pga h ALA 3135CO 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 179.25 179.26 2pga h THR 3137N 0.32 1.25 -0.33 0.00 2.02 -1.10 -1.44 112.91 113.63 2pga h THR 3137Ca 0.09 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.39 2pga h THR 3137Cb 0.31 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2pga h THR 3137CO 0.00 0.34 0.21 0.74 0.37 0.00 0.00 175.52 177.18 2pga h THR 3138N 0.99 1.10 -0.73 3.16 2.02 -1.00 -0.93 112.91 117.52 2pga h THR 3138Ca 0.22 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.21 2pga h THR 3138Cb 0.31 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2pga h THR 3138CO -0.01 0.10 0.47 0.00 0.37 0.00 0.00 175.52 176.45 2pga h ALA 3139N 1.10 0.94 -0.52 6.16 0.00 -0.80 0.44 119.26 126.58 2pga h ALA 3139Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2pga h ALA 3139Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2pga h ALA 3139CO -0.02 0.30 0.13 -0.07 0.00 0.00 0.00 179.25 179.59 2pga h LEU 3140N 0.95 0.78 -0.17 0.00 3.38 -1.05 0.24 115.31 119.44 2pga h LEU 3140Ca 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2pga h LEU 3140Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2pga h LEU 3140CO -0.08 0.81 0.00 0.58 0.09 0.00 0.00 178.44 179.84 2pga h VAL 3141N 0.72 1.25 -0.52 1.22 2.07 -0.76 -0.53 116.25 119.69 2pga h VAL 3141Ca 0.16 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2pga h VAL 3141Cb 0.33 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2pga h VAL 3141CO 0.00 0.25 0.18 -0.33 0.02 0.00 0.00 177.57 177.69 2pga h GLU 3142N 0.06 0.77 -0.43 1.57 5.08 -0.89 -1.41 114.58 119.32 2pga h GLU 3142Ca 0.05 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2pga h GLU 3142Cb 0.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2pga h GLU 3142CO 0.01 0.66 -0.25 0.00 -1.00 0.00 0.00 179.01 178.42 2pga h ALA 3143N 1.44 0.74 -0.43 3.43 0.00 -0.77 -1.64 119.26 122.04 2pga h ALA 3143Ca 0.18 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2pga h ALA 3143Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pga h ALA 3143CO -0.01 0.66 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 2pga h ALA 3144N 0.94 1.14 -0.34 0.00 0.00 -0.68 -2.83 119.26 117.49 2pga h ALA 3144Ca 0.09 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 2pga h ALA 3144Cb 0.81 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2pga h ALA 3144CO 0.07 0.55 -0.42 0.87 0.00 0.00 0.00 179.25 180.32 2pga h LYS 3145N 0.67 0.85 0.00 0.00 1.57 -1.12 -1.20 116.57 117.34 2pga h LYS 3145Ca 0.13 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2pga h LYS 3145Cb 0.45 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2pga h LYS 3145CO 0.02 1.10 -0.12 0.66 -0.57 0.00 0.00 179.45 180.55 2pga h SER 3146N 0.69 0.00 -0.32 0.86 4.64 -1.06 -0.93 113.55 117.42 2pga h SER 3146Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2pga h SER 3146Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2pga h SER 3146CO 0.10 0.12 0.00 2.30 -0.87 0.00 0.00 176.83 178.47 2pga n ILE 3147N -3.90 0.54 -3.44 0.95 -5.35 -1.10 -4.99 119.36 102.07 2pga n ILE 3147Ca -0.02 -0.77 -0.22 0.00 -0.27 0.00 0.00 62.75 61.46 2pga n ILE 3147Cb 0.21 0.90 0.07 0.00 -1.74 0.00 0.00 39.64 39.08 2pga n ILE 3147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pga n GLY 3148N 1.10 -0.46 3.82 3.28 0.00 -0.36 -4.99 105.19 107.58 2pga n GLY 3148Ca 0.15 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 2pga n GLY 3148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga s ALA 3149N -3.27 3.14 -0.35 4.61 0.00 -0.54 -4.99 121.76 120.35 2pga s ALA 3149Ca 0.51 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.52 2pga s ALA 3149Cb -0.22 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 2pga s ALA 3149CO 0.63 0.18 1.60 0.99 0.00 0.00 0.00 175.76 179.17 2pga s THR 3150N -2.02 3.69 -0.04 0.00 2.01 -1.26 -4.77 115.64 113.25 2pga s THR 3150Ca 0.58 0.72 0.05 0.00 0.31 0.00 0.00 61.69 63.35 2pga s THR 3150Cb -0.11 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 2pga s THR 3150CO 0.16 -0.55 -0.19 -0.89 -0.69 0.00 0.00 174.62 172.46 2pga s THR 3151N 6.03 2.67 -0.05 -0.82 2.01 -1.26 -1.89 115.64 122.33 2pga s THR 3151Ca 0.71 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.88 2pga s THR 3151Cb -0.19 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2pga s THR 3151CO 0.33 0.59 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.64 2pga s HIS 3152N -0.68 2.03 -0.12 4.92 3.76 0.01 -4.99 115.29 120.22 2pga s HIS 3152Ca 0.11 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 2pga s HIS 3152Cb -0.10 -1.35 -0.00 0.00 1.11 0.00 0.00 32.58 32.24 2pga s HIS 3152CO -0.00 -0.19 -0.21 0.08 -0.85 0.00 0.00 174.74 173.57 2pga s VAL 3153N -0.05 2.29 -3.27 -0.90 1.01 -1.26 -0.81 120.40 117.40 2pga s VAL 3153Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2pga s VAL 3153Cb -0.12 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2pga s VAL 3153CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2pga n GLY 3154N 3.71 -0.60 3.83 4.51 0.00 -0.65 -4.95 105.19 111.04 2pga n GLY 3154Ca -0.19 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 2pga n GLY 3154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 3155N -4.00 5.13 -0.01 1.61 1.01 -1.26 -0.32 120.40 122.57 2pga s VAL 3155Ca 0.00 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.77 2pga s VAL 3155Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2pga s VAL 3155CO 0.00 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.56 2pga s THR 3156N -0.83 2.58 -0.22 3.92 2.01 -0.74 -0.91 115.64 121.44 2pga s THR 3156Ca 0.22 -1.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.01 2pga s THR 3156Cb -0.16 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 2pga s THR 3156CO 0.11 0.50 0.49 0.00 -0.69 0.00 0.00 174.62 175.03 2pga s ALA 3157N -0.75 3.56 -0.29 7.40 0.00 0.09 0.12 121.76 131.88 2pga s ALA 3157Ca 0.12 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 2pga s ALA 3157Cb -0.10 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.27 2pga s ALA 3157CO 0.01 -0.52 -0.02 0.45 0.00 0.00 0.00 175.76 175.69 2pga s SER 3158N 1.27 4.83 -0.03 0.00 0.15 -0.56 -1.74 113.70 117.62 2pga s SER 3158Ca 0.22 -1.29 0.04 0.00 0.70 0.00 0.00 55.95 55.61 2pga s SER 3158Cb -0.15 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.44 2pga s SER 3158CO 0.09 -0.25 -0.12 -0.55 1.20 0.00 0.00 173.24 173.61 2pga s SER 3159N 1.23 4.22 0.00 5.45 0.15 0.29 -0.94 113.70 124.10 2pga s SER 3159Ca -0.06 -0.19 0.20 0.00 0.70 0.00 0.00 55.95 56.60 2pga s SER 3159Cb -0.20 -0.91 0.94 0.00 -1.71 0.00 0.00 66.02 64.14 2pga s SER 3159CO -0.02 0.32 1.63 0.47 1.20 0.00 0.00 173.24 176.84 2pga n ASP 3160N 2.00 0.00 -4.25 5.45 10.43 -0.72 -4.30 116.55 125.17 2pga n ASP 3160Ca -0.17 0.21 -0.18 0.00 2.57 0.00 0.00 54.79 57.22 2pga n ASP 3160Cb 0.52 -0.37 -0.11 0.00 1.84 0.00 0.00 41.12 43.00 2pga n ASP 3160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pga s THR 3161N -2.75 1.36 0.03 -3.53 -4.23 -1.26 -5.01 115.64 100.25 2pga s THR 3161Ca 0.15 -1.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.04 2pga s THR 3161Cb 0.13 -1.55 -0.19 0.00 1.34 0.00 0.00 72.50 72.23 2pga s THR 3161CO 0.33 -0.41 1.06 0.15 -0.54 0.00 0.00 174.62 175.21 2pga h PHE 3162N 3.51 0.00 0.00 3.99 3.04 -1.97 -3.39 116.94 122.13 2pga h PHE 3162Ca -0.40 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.55 2pga h PHE 3162Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2pga h PHE 3162CO 0.65 0.93 0.00 0.66 -2.02 0.00 0.00 178.31 178.53 2pga n TYR 3163N -3.21 0.00 0.06 0.41 4.02 -1.26 -4.37 117.16 112.82 2pga n TYR 3163Ca -0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.84 2pga n TYR 3163Cb 0.95 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.61 2pga n TYR 3163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pga h PRO 3164N 0.00 0.37 0.00 -0.72 0.13 -1.87 -0.18 132.00 129.73 2pga h PRO 3164Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2pga h PRO 3164Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 2pga h PRO 3164CO 0.00 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 178.66 2pga n GLY 3165N -0.82 -1.34 1.09 1.56 0.00 -1.26 -0.85 105.19 103.56 2pga n GLY 3165Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.14 2pga n GLY 3165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pga n GLN 3166N -2.14 3.32 -4.03 1.61 6.02 -0.73 -4.91 117.38 116.52 2pga n GLN 3166Ca 0.03 -2.79 -0.27 0.00 -0.01 0.00 0.00 57.00 53.96 2pga n GLN 3166Cb 0.27 -1.84 -0.04 0.00 1.02 0.00 0.00 30.24 29.65 2pga n GLN 3166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2pga n GLU 3167N -0.02 -2.89 -3.20 -1.09 2.13 -0.03 -4.90 120.64 110.64 2pga n GLU 3167Ca 0.21 0.35 -0.39 0.00 0.66 0.00 0.00 57.16 58.00 2pga n GLU 3167Cb 0.88 -4.41 -0.05 0.00 0.27 0.00 0.00 31.44 28.12 2pga n GLU 3167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2pga s ARG 3168N -6.72 4.36 -0.00 5.31 0.52 -0.16 -4.96 118.95 117.30 2pga s ARG 3168Ca 0.05 0.68 0.13 0.00 -0.52 0.00 0.00 55.73 56.08 2pga s ARG 3168Cb -0.03 -3.40 -0.15 0.00 0.52 0.00 0.00 34.95 31.89 2pga s ARG 3168CO 0.91 0.21 0.55 0.66 0.02 0.00 0.00 175.30 177.65 2pga n TYR 3169N 3.34 0.00 -1.40 -0.53 4.02 -1.26 -4.38 117.16 116.95 2pga n TYR 3169Ca -0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.45 2pga n TYR 3169Cb 0.51 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.79 2pga n TYR 3169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2pga n ASP 3170N -1.37 5.68 -4.07 7.72 5.75 -1.26 -4.12 116.55 124.88 2pga n ASP 3170Ca 0.02 -2.67 -0.19 0.00 -0.01 0.00 0.00 54.79 51.94 2pga n ASP 3170Cb 0.22 -1.50 -0.09 0.00 -1.03 0.00 0.00 41.12 38.72 2pga n ASP 3170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2pga s THR 3171N 3.03 0.44 0.16 2.12 -4.23 -1.26 -5.01 115.64 110.89 2pga s THR 3171Ca 0.56 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.88 2pga s THR 3171Cb 0.15 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.53 2pga s THR 3171CO -0.05 0.00 1.66 0.22 -0.54 0.00 0.00 174.62 175.91 2pga h TYR 3172N 2.18 -0.33 0.00 3.99 5.03 -1.99 -3.01 116.97 122.84 2pga h TYR 3172Ca -0.35 0.03 -0.23 0.00 2.58 0.00 0.00 58.73 60.76 2pga h TYR 3172Cb 1.25 0.19 -0.04 0.00 1.55 0.00 0.00 36.73 39.69 2pga h TYR 3172CO 0.99 -0.21 -1.31 0.66 -1.32 0.00 0.00 178.16 176.96 2pga h SER 3173N -0.08 0.00 0.00 -2.11 4.64 -1.96 -3.47 113.55 110.57 2pga h SER 3173Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2pga h SER 3173Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2pga h SER 3173CO -0.38 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2pga n GLY 3174N 1.43 0.31 3.87 -0.77 0.00 -1.14 -4.98 105.19 103.92 2pga n GLY 3174Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2pga n GLY 3174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pga s ARG 3175N -0.88 3.39 -0.10 1.61 3.52 -1.26 -4.89 118.95 120.34 2pga s ARG 3175Ca 0.00 -0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.38 2pga s ARG 3175Cb 0.00 -3.11 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 2pga s ARG 3175CO 0.00 0.73 -0.14 0.08 -0.81 0.00 0.00 175.30 175.16 2pga s VAL 3176N -1.15 1.38 0.58 7.11 1.01 -1.26 -4.92 120.40 123.15 2pga s VAL 3176Ca 0.20 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 2pga s VAL 3176Cb -0.12 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 2pga s VAL 3176CO 0.10 0.42 1.10 0.55 0.00 0.00 0.00 175.10 177.27 2pga n VAL 3177N 4.18 3.75 -0.30 2.92 3.14 -1.26 -4.54 118.33 126.23 2pga n VAL 3177Ca -0.19 -0.50 0.10 0.00 -2.96 0.00 0.00 64.34 60.79 2pga n VAL 3177Cb 0.51 -1.31 0.23 0.00 -1.06 0.00 0.00 33.84 32.21 2pga n VAL 3177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2pga h ARG 3178N 0.82 0.07 -0.88 1.45 2.43 -2.00 0.10 114.38 116.38 2pga h ARG 3178Ca -0.49 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 58.85 2pga h ARG 3178Cb 1.34 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.81 2pga h ARG 3178CO 0.53 0.05 0.58 -0.09 -1.51 0.00 0.00 179.97 179.53 2pga h ARG 3179N 0.08 0.50 -0.01 0.20 2.43 -2.01 -2.30 114.38 113.26 2pga h ARG 3179Ca 0.51 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 2pga h ARG 3179Cb 0.98 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2pga h ARG 3179CO -0.78 0.33 -0.49 1.19 -1.51 0.00 0.00 179.97 178.70 2pga n PHE 3180N -4.54 0.00 -1.99 2.20 3.01 0.30 -4.73 117.46 111.72 2pga n PHE 3180Ca 0.18 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.22 2pga n PHE 3180Cb 0.60 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.04 2pga n PHE 3180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2pga s LYS 3181N -2.22 4.20 0.00 -1.08 2.20 -0.83 -1.41 119.74 120.60 2pga s LYS 3181Ca 0.13 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 2pga s LYS 3181Cb 0.14 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 2pga s LYS 3181CO 0.52 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 2pga n GLY 3182N 4.03 0.77 0.21 5.54 0.00 -1.26 -4.93 105.19 109.56 2pga n GLY 3182Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 2pga n GLY 3182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pga h SER 3183N 0.00 0.41 -0.37 1.61 4.64 -1.52 -2.95 113.55 115.37 2pga h SER 3183Ca 0.00 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2pga h SER 3183Cb 0.02 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2pga h SER 3183CO 0.00 0.78 0.18 -0.03 -0.87 0.00 0.00 176.83 176.88 2pga h MET 3184N 0.32 0.53 -0.92 4.77 -1.53 -1.91 -0.12 114.93 116.08 2pga h MET 3184Ca 0.03 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 2pga h MET 3184Cb 0.86 -0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 31.77 2pga h MET 3184CO 0.07 0.48 0.59 1.49 0.14 0.00 0.00 176.91 179.68 2pga h GLU 3185N 0.46 1.23 -0.12 0.39 4.22 -1.96 0.47 114.58 119.27 2pga h GLU 3185Ca 0.13 -0.09 -0.00 0.00 0.08 0.00 0.00 59.36 59.48 2pga h GLU 3185Cb 0.12 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2pga h GLU 3185CO -0.02 0.83 0.07 0.93 -2.18 0.00 0.00 179.01 178.64 2pga h GLU 3186N 1.26 0.17 -0.73 1.92 5.08 -1.26 -0.49 114.58 120.53 2pga h GLU 3186Ca 0.34 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2pga h GLU 3186Cb -0.11 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2pga h GLU 3186CO -0.07 0.19 0.35 -1.49 -1.00 0.00 0.00 179.01 177.00 2pga h TRP 3187N 0.10 1.04 -0.22 4.33 -0.00 -0.57 -2.02 115.95 118.61 2pga h TRP 3187Ca 0.04 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2pga h TRP 3187Cb 0.07 -0.33 -0.01 0.00 -0.00 0.00 0.00 29.16 28.90 2pga h TRP 3187CO -0.04 0.76 0.13 1.96 -0.00 0.00 0.00 178.44 181.24 2pga h GLN 3188N 1.04 0.30 0.00 0.49 4.20 -0.56 -1.45 115.11 119.12 2pga h GLN 3188Ca 0.25 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 2pga h GLN 3188Cb 0.10 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2pga h GLN 3188CO -0.03 0.25 -0.09 0.00 -0.67 0.00 0.00 178.83 178.29 2pga h ALA 3189N 1.04 1.33 -0.05 3.87 0.00 -0.85 -1.53 119.26 123.06 2pga h ALA 3189Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pga h ALA 3189Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2pga h ALA 3189CO -0.01 0.11 0.00 -1.33 0.00 0.00 0.00 179.25 178.01 2pga n MET 3190N -3.66 1.59 -0.62 0.00 2.81 -0.71 -4.92 117.12 111.61 2pga n MET 3190Ca -0.02 -0.87 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 2pga n MET 3190Cb 0.20 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2pga n MET 3190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pga n GLY 3191N 1.13 0.74 3.76 3.03 0.00 -0.58 -5.02 105.19 108.26 2pga n GLY 3191Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2pga n GLY 3191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 3192N -2.56 2.14 -0.02 1.61 1.01 -0.63 -4.64 120.40 117.31 2pga s VAL 3192Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2pga s VAL 3192Cb 0.00 -3.09 -0.29 0.00 0.00 0.00 0.00 36.38 33.00 2pga s VAL 3192CO 0.00 0.03 0.77 0.24 0.00 0.00 0.00 175.10 176.14 2pga h MET 3193N 3.88 0.31 -2.28 2.72 0.00 -1.35 -3.42 114.93 114.80 2pga h MET 3193Ca -0.49 -0.53 0.18 0.00 0.00 0.00 0.00 59.70 58.86 2pga h MET 3193Cb 1.23 0.20 -0.09 0.00 0.00 0.00 0.00 31.60 32.94 2pga h MET 3193CO 0.71 1.19 0.51 0.54 0.00 0.00 0.00 176.91 179.86 2pga s ASN 3194N -7.11 -0.18 0.02 1.22 4.22 -1.26 -0.98 114.94 110.87 2pga s ASN 3194Ca -0.12 -0.36 0.05 0.00 -2.14 0.00 0.00 52.86 50.29 2pga s ASN 3194Cb 0.06 0.46 -0.03 0.00 1.28 0.00 0.00 41.25 43.02 2pga s ASN 3194CO 0.85 -0.84 -0.11 -0.31 -2.04 0.00 0.00 177.10 174.65 2pga s TYR 3195N -3.22 2.77 0.00 1.54 2.02 0.06 -0.73 117.35 119.79 2pga s TYR 3195Ca 0.12 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 2pga s TYR 3195Cb -0.01 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 2pga s TYR 3195CO 0.01 0.33 0.00 -0.85 -1.57 0.00 0.00 175.55 173.47 2pga n GLU 3196N 1.50 0.00 -0.01 -0.62 -0.00 -0.71 -2.67 120.64 118.13 2pga n GLU 3196Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 2pga n GLU 3196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2pga n GLU 3196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2pga n MET 3197N 0.00 0.94 0.00 3.44 2.81 -1.26 -0.55 117.12 122.49 2pga n MET 3197Ca 0.00 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 2pga n MET 3197Cb 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 2pga n MET 3197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2pga n GLU 3198N -0.17 2.84 -0.21 0.03 4.71 -1.26 -2.99 120.64 123.59 2pga n GLU 3198Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 2pga n GLU 3198Cb 0.43 -0.69 0.14 0.00 -1.01 0.00 0.00 31.44 30.32 2pga n GLU 3198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2pga h SER 3199N 0.00 0.93 -0.61 1.62 4.64 -1.94 -1.42 113.55 116.77 2pga h SER 3199Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2pga h SER 3199Cb 0.15 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 2pga h SER 3199CO 0.00 0.84 0.39 0.00 -0.87 0.00 0.00 176.83 177.19 2pga h ALA 3200N 1.29 0.77 0.10 5.18 0.00 -1.87 0.34 119.26 125.07 2pga h ALA 3200Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pga h ALA 3200Cb 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pga h ALA 3200CO -0.02 0.22 -0.05 1.15 0.00 0.00 0.00 179.25 180.56 2pga h THR 3201N 0.83 1.08 -0.06 0.00 2.02 -1.87 -1.48 112.91 113.42 2pga h THR 3201Ca 0.22 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.74 2pga h THR 3201Cb -0.07 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 2pga h THR 3201CO -0.05 0.17 -0.28 0.25 0.37 0.00 0.00 175.52 175.99 2pga h LEU 3202N -0.46 -0.84 -0.40 2.58 5.85 -1.01 -0.24 115.31 120.78 2pga h LEU 3202Ca -0.01 0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 2pga h LEU 3202Cb 0.38 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2pga h LEU 3202CO 0.02 -0.33 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.36 2pga h LEU 3203N -0.38 1.00 -0.31 2.25 3.38 -0.36 -1.92 115.31 118.96 2pga h LEU 3203Ca 0.08 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 2pga h LEU 3203Cb 0.50 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2pga h LEU 3203CO -0.28 1.25 -0.10 0.74 0.09 0.00 0.00 178.44 180.13 2pga h THR 3204N 0.77 1.28 -0.05 0.22 2.02 -1.14 0.03 112.91 116.04 2pga h THR 3204Ca 0.07 -1.17 -0.10 0.00 0.77 0.00 0.00 66.41 65.98 2pga h THR 3204Cb 0.95 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2pga h THR 3204CO 0.09 0.38 -0.43 0.00 0.37 0.00 0.00 175.52 175.93 2pga h MET 3205N 0.39 0.11 0.03 6.66 -0.00 -0.99 -2.25 114.93 118.87 2pga h MET 3205Ca 0.08 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.70 59.67 2pga h MET 3205Cb 0.61 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.21 2pga h MET 3205CO 0.04 0.53 -0.22 0.00 -0.00 0.00 0.00 176.91 177.25 2pga h ALA 3207N 0.11 1.22 -0.15 0.00 0.00 -0.96 -1.09 119.26 118.39 2pga h ALA 3207Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pga h ALA 3207Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2pga h ALA 3207CO 0.04 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 2pga n SER 3208N -3.50 2.60 -0.03 0.00 3.41 -0.85 -4.23 113.62 111.02 2pga n SER 3208Ca -0.02 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 2pga n SER 3208Cb 0.20 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.07 2pga n SER 3208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pga n GLN 3209N 0.98 1.09 -0.98 4.33 6.02 -0.71 -5.01 117.38 123.10 2pga n GLN 3209Ca 0.17 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 56.20 2pga n GLN 3209Cb 0.51 -0.71 0.00 0.00 1.02 0.00 0.00 30.24 31.05 2pga n GLN 3209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pga n GLY 3210N -0.23 0.40 3.84 1.08 0.00 -0.94 -5.04 105.19 104.30 2pga n GLY 3210Ca 0.01 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2pga n GLY 3210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 3211N 0.00 4.07 -0.14 0.99 1.43 -0.50 -5.05 118.68 119.49 2pga s LEU 3211Ca 0.00 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 2pga s LEU 3211Cb 0.00 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 2pga s LEU 3211CO 0.00 0.18 0.29 -0.13 0.23 0.00 0.00 176.35 176.92 2pga s ARG 3212N -2.42 4.14 0.01 1.70 0.52 0.29 -3.92 118.95 119.26 2pga s ARG 3212Ca 0.32 0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.66 2pga s ARG 3212Cb -0.13 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 2pga s ARG 3212CO 0.24 0.35 -0.05 0.00 0.02 0.00 0.00 175.30 175.87 2pga s ALA 3213N 0.13 0.35 0.21 2.13 0.00 -1.26 0.13 121.76 123.45 2pga s ALA 3213Ca 0.17 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.81 2pga s ALA 3213Cb -0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2pga s ALA 3213CO 0.05 0.03 -0.01 0.20 0.00 0.00 0.00 175.76 176.03 2pga s GLY 3214N -0.60 1.44 -0.06 0.00 0.00 -0.19 -0.92 107.32 107.00 2pga s GLY 3214Ca -0.03 -1.71 -0.03 0.00 0.00 0.00 0.00 44.72 42.96 2pga s GLY 3214CO -0.00 -1.63 0.12 -0.29 0.00 0.00 0.00 173.10 171.29 2pga s MET 3215N -3.86 0.00 0.05 2.90 1.75 -1.26 -1.04 119.30 117.84 2pga s MET 3215Ca 0.27 0.44 0.05 0.00 -1.25 0.00 0.00 55.69 55.19 2pga s MET 3215Cb 0.05 -0.32 -0.02 0.00 2.84 0.00 0.00 34.83 37.38 2pga s MET 3215CO 0.07 -0.27 -0.14 0.54 -0.65 0.00 0.00 175.02 174.57 2pga s VAL 3216N 1.93 1.07 -0.01 10.11 0.11 -0.30 -1.94 120.40 131.37 2pga s VAL 3216Ca 0.00 -1.09 -0.11 0.00 -2.93 0.00 0.00 61.98 57.85 2pga s VAL 3216Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 2pga s VAL 3216CO -0.05 -0.09 0.23 0.00 -3.33 0.00 0.00 175.10 171.87 2pga s ALA 3217N -1.00 -0.57 -0.15 1.54 0.00 -0.18 -1.74 121.76 119.66 2pga s ALA 3217Ca -0.00 0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 2pga s ALA 3217Cb -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2pga s ALA 3217CO 0.02 -0.23 0.08 0.20 0.00 0.00 0.00 175.76 175.82 2pga s GLY 3218N -1.30 1.99 -0.25 0.00 0.00 -0.90 -0.70 107.32 106.16 2pga s GLY 3218Ca -0.14 -0.72 -0.29 0.00 0.00 0.00 0.00 44.72 43.57 2pga s GLY 3218CO 0.03 -0.19 1.30 0.14 0.00 0.00 0.00 173.10 174.38 2pga s VAL 3219N -0.30 4.18 -0.80 1.40 1.01 -0.15 -2.50 120.40 123.25 2pga s VAL 3219Ca 0.09 1.38 0.18 0.00 0.00 0.00 0.00 61.98 63.62 2pga s VAL 3219Cb -0.12 -4.08 -0.20 0.00 0.00 0.00 0.00 36.38 31.98 2pga s VAL 3219CO 0.01 -0.34 0.74 2.30 0.00 0.00 0.00 175.10 177.82 2pga n ILE 3220N 5.89 0.00 -3.46 2.22 -5.35 -0.49 0.30 119.36 118.48 2pga n ILE 3220Ca 0.15 -0.10 -0.14 0.00 -0.27 0.00 0.00 62.75 62.39 2pga n ILE 3220Cb 0.46 0.95 -0.03 0.00 -1.74 0.00 0.00 39.64 39.28 2pga n ILE 3220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2pga s VAL 3221N -2.72 0.00 -0.21 7.28 0.11 -1.24 -4.84 120.40 118.78 2pga s VAL 3221Ca 0.06 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2pga s VAL 3221Cb 0.13 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2pga s VAL 3221CO 0.73 0.00 -0.13 0.21 -3.33 0.00 0.00 175.10 172.58 2pga s ASN 3222N -2.23 3.70 0.41 3.54 3.84 -1.26 -1.20 114.94 121.75 2pga s ASN 3222Ca -0.03 -0.70 0.29 0.00 0.21 0.00 0.00 52.86 52.64 2pga s ASN 3222Cb -0.01 -1.57 1.39 0.00 -0.55 0.00 0.00 41.25 40.51 2pga s ASN 3222CO -0.05 -0.04 1.88 0.03 -2.79 0.00 0.00 177.10 176.12 2pga h ARG 3223N 7.98 0.00 -0.09 0.43 2.47 -0.37 -3.48 114.38 121.31 2pga h ARG 3223Ca -0.40 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.15 2pga h ARG 3223Cb 1.13 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 2pga h ARG 3223CO 0.61 0.00 -0.65 1.79 0.56 0.00 0.00 179.97 182.28 2pga h THR 3224N 0.00 1.37 0.00 2.04 1.35 -1.85 -3.50 112.91 112.33 2pga h THR 3224Ca 0.00 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 2pga h THR 3224Cb 0.22 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2pga h THR 3224CO 0.00 0.61 0.00 0.80 -0.25 0.00 0.00 175.52 176.68 2pga n MET 3234N -3.87 0.00 0.42 4.72 1.56 -1.26 -5.16 117.12 113.53 2pga n MET 3234Ca -0.03 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.21 2pga n MET 3234Cb 0.65 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.93 2pga n MET 3234CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2pga h LYS 3235N 0.00 -1.01 0.00 2.12 3.11 -2.02 -2.91 116.57 115.86 2pga h LYS 3235Ca 0.00 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2pga h LYS 3235Cb 0.00 0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2pga h LYS 3235CO 0.00 -0.66 0.00 0.94 -2.81 0.00 0.00 179.45 176.92 2pga n GLN 3236N -5.52 0.58 0.03 1.90 7.27 -1.26 -3.38 117.38 117.00 2pga n GLN 3236Ca -0.14 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 56.91 2pga n GLN 3236Cb 0.42 -1.28 -0.01 0.00 2.41 0.00 0.00 30.24 31.78 2pga n GLN 3236CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 2pga h THR 3237N 0.00 0.00 -0.57 1.69 2.02 -1.80 -2.97 112.91 111.27 2pga h THR 3237Ca 0.00 -0.23 0.11 0.00 0.77 0.00 0.00 66.41 67.06 2pga h THR 3237Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.30 2pga h THR 3237CO 0.00 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 175.28 2pga h GLU 3238N -0.34 -0.12 -0.68 6.66 4.39 -1.68 -0.83 114.58 121.96 2pga h GLU 3238Ca -0.01 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.84 2pga h GLU 3238Cb 0.09 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.66 2pga h GLU 3238CO 0.02 -0.08 0.13 0.66 -1.16 0.00 0.00 179.01 178.58 2pga h SER 3239N -0.13 -0.04 -0.09 1.42 4.64 -1.71 0.39 113.55 118.03 2pga h SER 3239Ca 0.25 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 2pga h SER 3239Cb 0.52 0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2pga h SER 3239CO -0.65 -0.04 0.02 0.45 -0.87 0.00 0.00 176.83 175.75 2pga h HIS 3240N 0.24 0.14 -0.74 4.77 3.86 -1.02 0.42 115.15 122.82 2pga h HIS 3240Ca 0.38 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 2pga h HIS 3240Cb 0.62 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 2pga h HIS 3240CO -0.28 0.30 0.37 0.00 0.86 0.00 0.00 177.93 179.19 2pga h ALA 3241N 0.82 0.95 -0.63 2.45 0.00 -0.67 -1.20 119.26 120.97 2pga h ALA 3241Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2pga h ALA 3241Cb 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2pga h ALA 3241CO -0.00 0.50 0.15 0.28 0.00 0.00 0.00 179.25 180.18 2pga h VAL 3242N 1.03 1.26 -0.43 0.00 2.07 -0.10 -0.79 116.25 119.29 2pga h VAL 3242Ca 0.26 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2pga h VAL 3242Cb 0.09 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2pga h VAL 3242CO -0.04 0.35 0.26 0.11 0.02 0.00 0.00 177.57 178.28 2pga h LYS 3243N 0.94 0.51 -0.09 1.57 1.57 -0.70 -2.43 116.57 117.94 2pga h LYS 3243Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2pga h LYS 3243Cb 0.37 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2pga h LYS 3243CO 0.00 0.33 0.04 0.82 -0.57 0.00 0.00 179.45 180.08 2pga h ILE 3244N 0.52 1.00 -0.54 1.86 2.04 -0.72 -1.06 117.51 120.60 2pga h ILE 3244Ca 0.17 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 2pga h ILE 3244Cb -0.00 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2pga h ILE 3244CO -0.07 0.02 0.14 1.62 0.00 0.00 0.00 178.15 179.85 2pga h VAL 3245N 0.10 1.22 -0.34 1.67 3.04 -1.08 0.15 116.25 121.01 2pga h VAL 3245Ca 0.03 -0.80 -0.09 0.00 -1.01 0.00 0.00 66.70 64.83 2pga h VAL 3245Cb 0.00 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 29.93 2pga h VAL 3245CO -0.02 0.30 -0.15 0.58 -1.01 0.00 0.00 177.57 177.27 2pga h VAL 3246N 0.80 1.29 -0.69 1.51 2.07 -1.18 -0.34 116.25 119.71 2pga h VAL 3246Ca 0.18 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2pga h VAL 3246Cb 0.28 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2pga h VAL 3246CO -0.00 0.41 0.38 -0.33 0.02 0.00 0.00 177.57 178.05 2pga h GLU 3247N 0.49 0.96 -0.45 1.57 4.39 -0.92 -2.55 114.58 118.07 2pga h GLU 3247Ca 0.08 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2pga h GLU 3247Cb 0.68 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2pga h GLU 3247CO 0.05 0.72 0.30 0.00 -1.16 0.00 0.00 179.01 178.92 2pga h ALA 3248N 1.19 0.58 -0.91 3.43 0.00 -0.51 -2.51 119.26 120.52 2pga h ALA 3248Ca 0.24 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.26 2pga h ALA 3248Cb 0.04 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 2pga h ALA 3248CO -0.04 0.03 0.53 0.00 0.00 0.00 0.00 179.25 179.77 2pga h ALA 3249N 1.16 1.39 -0.98 0.00 0.00 -0.74 -0.39 119.26 119.70 2pga h ALA 3249Ca 0.17 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.28 2pga h ALA 3249Cb -0.07 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 2pga h ALA 3249CO -0.04 0.04 0.62 0.00 0.00 0.00 0.00 179.25 179.87 2pga h ARG 3250N 0.78 0.84 0.00 0.00 3.08 -1.05 -0.26 114.38 117.77 2pga h ARG 3250Ca 0.48 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2pga h ARG 3250Cb 0.60 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2pga h ARG 3250CO -0.32 0.55 0.00 0.54 -1.07 0.00 0.00 179.97 179.68 2pga n ARG 3251N -4.64 0.05 0.00 0.04 1.74 -0.17 -3.54 116.66 110.14 2pga n ARG 3251Ca 0.20 0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.38 2pga n ARG 3251Cb 0.45 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.42 2pga n ARG 3251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pga n LEU 3252N -1.47 1.85 0.00 0.55 4.77 -0.14 -5.07 117.00 117.49 2pga n LEU 3252Ca 0.07 -0.90 0.12 0.00 -0.03 0.00 0.00 56.01 55.28 2pga n LEU 3252Cb 0.31 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.11 2pga n LEU 3252CO 0.25 0.35 0.89 0.18 -1.33 0.00 0.00 177.39 177.73