#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxs n ASP 3005N 0.00 0.59 -4.10 -3.46 8.00 0.69 -4.92 116.55 113.36 1rxs n ASP 3005Ca 0.00 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 1rxs n ASP 3005Cb 0.00 0.25 -0.12 0.00 -0.02 0.00 0.00 41.12 41.22 1rxs n ASP 3005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1rxs s VAL 3006N -3.10 0.81 0.17 2.53 -7.23 -1.23 -5.05 120.40 107.30 1rxs s VAL 3006Ca 0.08 -1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 1rxs s VAL 3006Cb 0.15 -0.79 0.07 0.00 0.56 0.00 0.00 36.38 36.37 1rxs s VAL 3006CO 0.72 -0.19 1.69 0.15 -0.31 0.00 0.00 175.10 177.16 1rxs h PHE 3007N 4.72 0.98 0.02 2.82 3.57 -1.95 -3.34 116.94 123.76 1rxs h PHE 3007Ca -0.37 -0.11 -0.39 0.00 3.53 0.00 0.00 57.97 60.64 1rxs h PHE 3007Cb 1.19 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 1rxs h PHE 3007CO 0.59 0.82 -2.34 0.72 -2.23 0.00 0.00 178.31 175.86 1rxs n HIS 3008N -4.38 0.29 0.55 0.41 8.25 -1.26 -4.63 115.22 114.45 1rxs n HIS 3008Ca 0.03 0.07 0.13 0.00 -0.26 0.00 0.00 57.72 57.69 1rxs n HIS 3008Cb 0.22 -1.04 0.38 0.00 1.12 0.00 0.00 29.99 30.68 1rxs n HIS 3008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rxs h LEU 3009N -0.19 0.00 -1.24 2.41 3.38 -1.93 -3.45 115.31 114.29 1rxs h LEU 3009Ca -0.56 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.07 1rxs h LEU 3009Cb 1.85 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.75 1rxs h LEU 3009CO -0.12 0.00 -0.68 0.61 0.09 0.00 0.00 178.44 178.35 1rxs n GLY 3010N 1.18 -0.38 3.32 0.83 0.00 -1.25 -4.64 105.19 104.24 1rxs n GLY 3010Ca 0.05 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1rxs n GLY 3010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 3011N -6.52 2.41 0.18 0.99 1.43 -1.26 -4.77 118.68 111.14 1rxs s LEU 3011Ca 0.29 -0.82 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1rxs s LEU 3011Cb -0.13 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1rxs s LEU 3011CO 0.68 -0.02 -0.10 0.42 0.23 0.00 0.00 176.35 177.57 1rxs s THR 3012N -1.86 3.18 0.31 5.49 -4.23 -1.26 -0.22 115.64 117.05 1rxs s THR 3012Ca 0.13 -1.65 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 1rxs s THR 3012Cb -0.07 -2.57 0.31 0.00 1.34 0.00 0.00 72.50 71.51 1rxs s THR 3012CO 0.06 -0.10 1.74 0.50 -0.54 0.00 0.00 174.62 176.28 1rxs h LYS 3013N 2.94 0.61 -0.85 3.99 3.64 -1.96 0.10 116.57 125.04 1rxs h LYS 3013Ca -0.47 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1rxs h LYS 3013Cb 1.20 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 1rxs h LYS 3013CO 0.54 0.40 0.56 -0.97 -2.27 0.00 0.00 179.45 177.71 1rxs h ASN 3014N 0.63 0.91 -0.15 4.20 -0.73 -1.95 -2.44 115.58 116.04 1rxs h ASN 3014Ca 0.62 -0.01 0.04 0.00 1.87 0.00 0.00 56.30 58.83 1rxs h ASN 3014Cb 1.13 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.50 1rxs h ASN 3014CO -0.45 0.62 0.11 0.44 -0.37 0.00 0.00 177.43 177.78 1rxs h ASP 3015N 1.05 0.00 1.57 1.15 3.32 -1.19 -2.20 116.42 120.13 1rxs h ASP 3015Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1rxs h ASP 3015Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1rxs h ASP 3015CO -0.10 0.00 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.27 1rxs h LEU 3016N 0.00 0.00 -0.48 1.55 4.07 -1.47 -3.48 115.31 115.50 1rxs h LEU 3016Ca 0.07 -0.02 -0.46 0.00 0.08 0.00 0.00 57.88 57.55 1rxs h LEU 3016Cb 0.30 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.96 1rxs h LEU 3016CO -0.00 0.01 -0.71 0.00 -1.08 0.00 0.00 178.44 176.66 1rxs n GLN 3017N -2.52 -4.49 -0.86 1.13 6.02 -0.83 -0.95 117.38 114.89 1rxs n GLN 3017Ca 0.05 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1rxs n GLN 3017Cb 0.47 -5.36 0.00 0.00 1.02 0.00 0.00 30.24 26.37 1rxs n GLN 3017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 3018N -1.49 0.69 3.72 1.08 0.00 -1.26 -4.79 105.19 103.14 1rxs n GLY 3018Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1rxs n GLY 3018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs n ALA 3019N 0.57 1.58 -0.40 4.61 0.00 -0.13 -4.92 120.51 121.83 1rxs n ALA 3019Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1rxs n ALA 3019Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1rxs n ALA 3019CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxs n THR 3020N 0.30 0.00 -5.00 0.00 -2.24 -1.26 -4.20 114.28 101.87 1rxs n THR 3020Ca 0.04 -0.30 -0.27 0.00 -2.27 0.00 0.00 64.05 61.25 1rxs n THR 3020Cb 0.37 1.40 -0.16 0.00 -2.10 0.00 0.00 70.33 69.84 1rxs n THR 3020CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxs s LEU 3021N -0.01 2.03 -0.04 3.22 0.20 -1.26 0.17 118.68 122.99 1rxs s LEU 3021Ca 0.00 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.47 1rxs s LEU 3021Cb 0.00 -1.06 0.01 0.00 -0.43 0.00 0.00 46.19 44.70 1rxs s LEU 3021CO 0.00 0.24 -0.12 0.00 -0.29 0.00 0.00 176.35 176.19 1rxs s ALA 3022N -0.42 1.13 -0.12 5.97 0.00 0.37 -2.21 121.76 126.48 1rxs s ALA 3022Ca 0.06 -0.42 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 1rxs s ALA 3022Cb -0.08 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1rxs s ALA 3022CO -0.00 0.16 0.61 0.42 0.00 0.00 0.00 175.76 176.94 1rxs s ILE 3023N 0.35 5.08 -0.47 0.00 1.01 -0.06 -0.88 121.20 126.24 1rxs s ILE 3023Ca -0.08 1.21 0.04 0.00 0.00 0.00 0.00 60.65 61.82 1rxs s ILE 3023Cb -0.12 -3.94 0.12 0.00 0.01 0.00 0.00 42.46 38.53 1rxs s ILE 3023CO 0.02 0.23 0.21 0.68 0.00 0.00 0.00 174.94 176.08 1rxs s VAL 3024N 1.09 2.30 0.83 2.92 -7.23 0.44 -1.33 120.40 119.41 1rxs s VAL 3024Ca 0.31 -2.96 -0.12 0.00 -1.81 0.00 0.00 61.98 57.40 1rxs s VAL 3024Cb -0.16 -2.62 0.09 0.00 0.56 0.00 0.00 36.38 34.25 1rxs s VAL 3024CO 0.13 -0.77 1.19 -2.16 -0.31 0.00 0.00 175.10 173.18 1rxs s PRO 3025N 0.10 1.81 -0.00 4.82 0.04 -1.23 -3.06 135.00 137.47 1rxs s PRO 3025Ca 0.16 0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.09 1rxs s PRO 3025Cb -0.24 -1.94 -0.31 0.00 0.04 0.00 0.00 34.50 32.05 1rxs s PRO 3025CO -0.02 -1.70 0.98 0.78 0.04 0.00 0.00 177.00 177.08 1rxs h GLY 3026N -1.13 0.50 -7.80 0.56 0.00 -1.84 -1.61 103.07 91.75 1rxs h GLY 3026Ca -0.46 -1.17 -0.64 0.00 0.00 0.00 0.00 47.33 45.06 1rxs h GLY 3026CO 0.64 1.03 -0.49 -0.35 0.00 0.00 0.00 176.54 177.37 1rxs s ASP 3027N -7.19 6.05 0.51 0.19 3.68 -1.26 -0.33 116.67 118.31 1rxs s ASP 3027Ca -0.12 0.03 0.34 0.00 2.13 0.00 0.00 52.55 54.93 1rxs s ASP 3027Cb 0.03 -2.13 1.47 0.00 -1.45 0.00 0.00 42.92 40.84 1rxs s ASP 3027CO 0.88 -0.06 1.77 1.55 0.13 0.00 0.00 175.17 179.44 1rxs h PRO 3028N 8.32 0.08 0.00 4.34 0.13 -1.90 -0.28 132.00 142.70 1rxs h PRO 3028Ca -0.35 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1rxs h PRO 3028Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rxs h PRO 3028CO 0.56 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.14 1rxs n ASP 3029N -4.29 0.09 -0.33 1.44 8.00 -1.26 -2.88 116.55 117.33 1rxs n ASP 3029Ca 0.27 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.39 1rxs n ASP 3029Cb 1.23 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 41.76 1rxs n ASP 3029CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rxs n ARG 3030N -1.59 0.98 0.10 -1.24 5.12 -0.12 -4.45 116.66 115.47 1rxs n ARG 3030Ca 0.06 -0.67 -0.13 0.00 -1.93 0.00 0.00 57.85 55.18 1rxs n ARG 3030Cb 0.30 -1.45 -0.07 0.00 -1.16 0.00 0.00 32.46 30.08 1rxs n ARG 3030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1rxs h VAL 3031N 1.60 0.89 -0.82 1.55 2.07 -1.55 -2.44 116.25 117.55 1rxs h VAL 3031Ca 0.00 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1rxs h VAL 3031Cb 0.65 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1rxs h VAL 3031CO 0.00 0.01 0.54 -0.08 0.02 0.00 0.00 177.57 178.06 1rxs h GLU 3032N -0.19 1.04 -0.80 1.57 4.81 -1.78 -1.72 114.58 117.51 1rxs h GLU 3032Ca -0.02 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1rxs h GLU 3032Cb 0.15 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1rxs h GLU 3032CO 0.03 0.69 0.38 0.87 -0.73 0.00 0.00 179.01 180.24 1rxs h LYS 3033N 1.07 1.15 -0.28 1.92 6.56 -1.77 -0.74 116.57 124.48 1rxs h LYS 3033Ca 0.32 -0.17 -0.05 0.00 -1.06 0.00 0.00 60.65 59.68 1rxs h LYS 3033Cb -0.05 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.39 1rxs h LYS 3033CO -0.09 0.89 -0.03 0.82 -2.06 0.00 0.00 179.45 178.98 1rxs h ILE 3034N 1.13 1.27 -0.28 1.86 2.04 -1.05 -3.22 117.51 119.26 1rxs h ILE 3034Ca 0.27 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1rxs h ILE 3034Cb 0.13 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1rxs h ILE 3034CO -0.03 0.32 -0.07 0.00 0.00 0.00 0.00 178.15 178.37 1rxs h ALA 3035N 0.80 1.36 0.00 1.87 0.00 -1.09 -2.34 119.26 119.87 1rxs h ALA 3035Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rxs h ALA 3035Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rxs h ALA 3035CO 0.02 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1rxs n ALA 3036N -2.48 1.67 0.20 0.00 0.00 -0.30 -1.42 120.51 118.18 1rxs n ALA 3036Ca 0.01 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1rxs n ALA 3036Cb 0.27 -1.21 0.14 0.00 0.00 0.00 0.00 19.45 18.66 1rxs n ALA 3036CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rxs h LEU 3037N 0.00 0.00 0.00 0.00 4.07 -1.50 -3.47 115.31 114.41 1rxs h LEU 3037Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1rxs h LEU 3037Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1rxs h LEU 3037CO 0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.59 1rxs n MET 3038N -3.01 1.01 -3.83 1.13 2.81 -0.50 -5.11 117.12 109.61 1rxs n MET 3038Ca 0.03 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.65 1rxs n MET 3038Cb 0.53 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.01 1rxs n MET 3038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxs s ASP 3039N -1.00 6.37 -1.40 7.83 -0.00 -0.22 -4.60 116.67 123.65 1rxs s ASP 3039Ca 0.00 0.30 -0.05 0.00 -0.00 0.00 0.00 52.55 52.80 1rxs s ASP 3039Cb 0.00 -1.97 0.00 0.00 -0.00 0.00 0.00 42.92 40.96 1rxs s ASP 3039CO 0.00 0.03 0.38 0.29 -0.00 0.00 0.00 175.17 175.86 1rxs n LYS 3040N -0.47 -2.31 -2.12 8.23 4.76 -1.26 0.21 118.16 125.20 1rxs n LYS 3040Ca -0.06 0.31 -0.42 0.00 -2.87 0.00 0.00 58.31 55.28 1rxs n LYS 3040Cb 0.53 -4.12 -0.03 0.00 -1.84 0.00 0.00 35.03 29.58 1rxs n LYS 3040CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1rxs s PRO 3041N -6.75 4.32 -0.01 1.97 0.04 -1.26 -4.43 135.00 128.88 1rxs s PRO 3041Ca 0.09 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.29 1rxs s PRO 3041Cb -0.04 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1rxs s PRO 3041CO 0.92 -0.38 -0.03 0.08 0.04 0.00 0.00 177.00 177.62 1rxs s VAL 3042N 0.47 0.33 0.09 -0.36 1.01 0.57 -5.00 120.40 117.52 1rxs s VAL 3042Ca 0.61 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1rxs s VAL 3042Cb -0.39 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 1rxs s VAL 3042CO 0.36 0.12 1.06 -0.75 0.00 0.00 0.00 175.10 175.90 1rxs s LYS 3043N 0.26 4.57 -0.24 2.72 2.20 -1.26 -0.77 119.74 127.21 1rxs s LYS 3043Ca -0.03 1.60 -0.15 0.00 -0.36 0.00 0.00 55.97 57.03 1rxs s LYS 3043Cb -0.06 -3.36 -0.10 0.00 -1.51 0.00 0.00 37.83 32.80 1rxs s LYS 3043CO -0.00 -0.01 -0.35 1.28 -0.36 0.00 0.00 175.35 175.91 1rxs n LEU 3044N 3.23 1.92 -3.70 5.43 4.77 0.12 -4.90 117.00 123.86 1rxs n LEU 3044Ca 0.05 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.28 1rxs n LEU 3044Cb 0.48 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1rxs n LEU 3044CO 0.53 0.28 0.53 0.00 -1.33 0.00 0.00 177.39 177.40 1rxs s ALA 3045N -2.63 -1.45 -0.28 -1.18 0.00 -1.01 -5.00 121.76 110.21 1rxs s ALA 3045Ca -0.35 0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1rxs s ALA 3045Cb 0.11 0.78 0.17 0.00 0.00 0.00 0.00 23.12 24.18 1rxs s ALA 3045CO 0.46 -0.95 0.49 0.45 0.00 0.00 0.00 175.76 176.21 1rxs s SER 3046N -2.85 -0.58 -0.02 0.00 0.15 -1.25 -0.12 113.70 109.03 1rxs s SER 3046Ca 0.08 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1rxs s SER 3046Cb -0.03 1.61 0.02 0.00 -1.71 0.00 0.00 66.02 65.91 1rxs s SER 3046CO -0.00 -0.30 0.02 -1.00 1.20 0.00 0.00 173.24 173.16 1rxs s HIS 3047N 2.69 0.07 0.00 3.44 3.76 -0.35 -4.99 115.29 119.91 1rxs s HIS 3047Ca 0.14 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 1rxs s HIS 3047Cb -0.14 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.33 1rxs s HIS 3047CO -0.22 -0.08 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 1rxs n ARG 3048N 4.00 0.00 -0.03 1.40 1.74 -1.26 -0.18 116.66 122.32 1rxs n ARG 3048Ca -0.25 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 56.91 1rxs n ARG 3048Cb 0.52 0.00 0.41 0.00 -1.02 0.00 0.00 32.46 32.36 1rxs n ARG 3048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxs n GLU 3049N 14.00 1.26 -3.37 5.56 0.00 -1.26 -4.75 120.64 132.09 1rxs n GLU 3049Ca 0.00 -0.40 -0.45 0.00 0.00 0.00 0.00 57.16 56.32 1rxs n GLU 3049Cb 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 31.44 30.09 1rxs n GLU 3049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxs s PHE 3050N -1.91 3.27 -0.14 -1.84 0.40 0.75 -4.04 117.98 114.46 1rxs s PHE 3050Ca 0.25 -1.24 -0.04 0.00 -0.60 0.00 0.00 56.93 55.31 1rxs s PHE 3050Cb 0.13 -3.54 -0.03 0.00 0.51 0.00 0.00 43.02 40.09 1rxs s PHE 3050CO 0.20 -0.94 -0.02 0.99 0.70 0.00 0.00 175.22 176.15 1rxs s THR 3051N 1.58 4.10 -0.10 0.64 2.01 -1.26 -1.22 115.64 121.40 1rxs s THR 3051Ca 0.04 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1rxs s THR 3051Cb -0.28 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.47 1rxs s THR 3051CO 0.04 0.52 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.46 1rxs s THR 3052N 0.05 1.38 0.13 -0.82 2.01 0.83 -1.72 115.64 117.49 1rxs s THR 3052Ca 0.01 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 61.54 1rxs s THR 3052Cb -0.13 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1rxs s THR 3052CO 0.02 0.42 -0.23 0.26 -0.69 0.00 0.00 174.62 174.40 1rxs s TRP 3053N 1.02 2.04 -0.01 4.92 0.52 0.33 0.15 118.94 127.91 1rxs s TRP 3053Ca -0.07 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.69 1rxs s TRP 3053Cb -0.15 -1.09 -0.03 0.00 -1.15 0.00 0.00 33.47 31.06 1rxs s TRP 3053CO -0.01 0.30 -0.11 0.50 0.02 0.00 0.00 176.95 177.65 1rxs s ARG 3054N -2.15 2.46 0.06 4.98 3.52 0.05 -0.04 118.95 127.83 1rxs s ARG 3054Ca 0.12 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.98 1rxs s ARG 3054Cb -0.09 -2.41 -0.00 0.00 -1.56 0.00 0.00 34.95 30.88 1rxs s ARG 3054CO 0.06 0.60 0.05 0.00 -0.81 0.00 0.00 175.30 175.20 1rxs n ALA 3055N 1.82 0.12 -2.59 6.12 0.00 0.42 -0.32 120.51 126.08 1rxs n ALA 3055Ca -0.16 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.72 1rxs n ALA 3055Cb 0.52 0.27 -0.15 0.00 0.00 0.00 0.00 19.45 20.10 1rxs n ALA 3055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rxs s GLU 3056N -2.24 1.07 -0.10 0.00 2.02 0.13 -0.70 118.70 118.88 1rxs s GLU 3056Ca 0.06 -0.53 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 1rxs s GLU 3056Cb 0.00 -1.05 0.03 0.00 0.10 0.00 0.00 34.13 33.22 1rxs s GLU 3056CO 0.05 0.28 0.00 -1.17 0.02 0.00 0.00 175.26 174.44 1rxs s LEU 3057N -0.44 0.76 -1.48 1.80 2.96 0.14 -1.05 118.68 121.37 1rxs s LEU 3057Ca 0.05 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1rxs s LEU 3057Cb -0.06 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.13 1rxs s LEU 3057CO -0.00 -0.21 0.26 0.47 -1.32 0.00 0.00 176.35 175.55 1rxs n ASP 3058N 5.11 0.11 0.00 3.68 8.00 -1.26 -0.91 116.55 131.28 1rxs n ASP 3058Ca -0.08 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1rxs n ASP 3058Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.17 1rxs n ASP 3058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxs n GLY 3059N -2.20 2.42 3.80 0.44 0.00 -1.26 -5.00 105.19 103.39 1rxs n GLY 3059Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1rxs n GLY 3059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxs s LYS 3060N -0.01 3.35 0.27 1.61 -0.14 -0.08 -5.06 119.74 119.67 1rxs s LYS 3060Ca 0.00 -0.23 -0.29 0.00 -1.36 0.00 0.00 55.97 54.09 1rxs s LYS 3060Cb 0.00 -3.08 -0.10 0.00 -1.68 0.00 0.00 37.83 32.98 1rxs s LYS 3060CO 0.00 0.72 1.30 -1.25 -0.76 0.00 0.00 175.35 175.35 1rxs s PRO 3061N -0.87 4.39 0.02 -1.68 0.04 -1.26 0.27 135.00 135.92 1rxs s PRO 3061Ca 0.14 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.31 1rxs s PRO 3061Cb -0.12 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1rxs s PRO 3061CO 0.03 -0.19 -0.07 0.08 0.04 0.00 0.00 177.00 176.89 1rxs s VAL 3062N -0.55 0.49 -0.06 -0.36 1.01 0.12 -4.39 120.40 116.66 1rxs s VAL 3062Ca 0.52 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1rxs s VAL 3062Cb -0.38 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1rxs s VAL 3062CO 0.45 -0.15 0.06 -0.63 0.00 0.00 0.00 175.10 174.83 1rxs s ILE 3063N -0.81 4.75 -0.11 2.22 -1.09 -0.94 -0.44 121.20 124.79 1rxs s ILE 3063Ca -0.04 -0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.20 1rxs s ILE 3063Cb -0.06 -3.09 0.01 0.00 -1.58 0.00 0.00 42.46 37.74 1rxs s ILE 3063CO 0.00 0.51 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.32 1rxs s VAL 3064N -1.04 1.91 -0.12 2.92 1.01 0.94 -0.88 120.40 125.14 1rxs s VAL 3064Ca 0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1rxs s VAL 3064Cb -0.12 -1.68 0.06 0.00 0.00 0.00 0.00 36.38 34.64 1rxs s VAL 3064CO 0.07 0.52 0.25 0.00 0.00 0.00 0.00 175.10 175.95 1rxs s SER 3066N 2.10 6.76 -0.01 0.00 1.04 -0.70 -3.58 113.70 119.31 1rxs s SER 3066Ca -0.02 1.94 0.15 0.00 0.48 0.00 0.00 55.95 58.51 1rxs s SER 3066Cb -0.12 -2.57 -0.22 0.00 0.10 0.00 0.00 66.02 63.21 1rxs s SER 3066CO -0.08 -0.49 0.44 0.35 0.98 0.00 0.00 173.24 174.44 1rxs n THR 3067N -0.26 0.00 -4.26 2.02 -2.24 -0.60 -4.37 114.28 104.55 1rxs n THR 3067Ca 0.06 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1rxs n THR 3067Cb 0.51 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1rxs n THR 3067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxs n GLY 3068N 1.53 -1.66 3.72 3.38 0.00 0.55 -3.32 105.19 109.40 1rxs n GLY 3068Ca -0.01 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 1rxs n GLY 3068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 3069N 0.00 5.27 0.00 -0.61 1.01 -1.26 -4.69 121.20 120.92 1rxs s ILE 3069Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1rxs s ILE 3069Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1rxs s ILE 3069CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1rxs n GLY 3070N 3.44 2.11 0.20 6.18 0.00 -1.25 -4.60 105.19 111.27 1rxs n GLY 3070Ca -0.10 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 1rxs n GLY 3070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxs h GLY 3071N 0.00 -0.20 0.08 -0.02 0.00 -1.87 -2.72 103.07 98.35 1rxs h GLY 3071Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.56 1rxs h GLY 3071CO 0.00 -0.15 -0.35 -2.55 0.00 0.00 0.00 176.54 173.49 1rxs h PRO 3072N -0.26 -0.40 -0.37 4.80 0.11 -1.94 0.31 132.00 134.26 1rxs h PRO 3072Ca 0.05 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 1rxs h PRO 3072Cb 0.32 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1rxs h PRO 3072CO -0.15 -0.26 -0.34 0.66 -0.21 0.00 0.00 178.00 177.69 1rxs h SER 3073N -0.41 0.89 -0.71 -2.05 4.64 -1.80 -2.59 113.55 111.52 1rxs h SER 3073Ca 0.10 -0.38 0.15 0.00 -0.47 0.00 0.00 61.79 61.19 1rxs h SER 3073Cb 0.57 -0.25 -0.11 0.00 -0.31 0.00 0.00 62.40 62.31 1rxs h SER 3073CO -0.38 1.14 0.16 0.74 -0.87 0.00 0.00 176.83 177.62 1rxs h THR 3074N 0.70 0.54 -0.70 2.95 2.02 -1.10 -0.71 112.91 116.61 1rxs h THR 3074Ca 0.07 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1rxs h THR 3074Cb 0.90 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1rxs h THR 3074CO 0.08 0.05 0.32 0.77 0.37 0.00 0.00 175.52 177.11 1rxs h SER 3075N 0.26 0.91 0.01 4.18 4.64 -0.03 0.50 113.55 124.02 1rxs h SER 3075Ca 0.39 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1rxs h SER 3075Cb 0.65 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1rxs h SER 3075CO -0.49 0.78 -0.00 0.40 -0.87 0.00 0.00 176.83 176.65 1rxs h ILE 3076N 0.99 1.17 -0.29 0.95 2.04 -0.97 -2.12 117.51 119.27 1rxs h ILE 3076Ca 0.24 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1rxs h ILE 3076Cb 0.13 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1rxs h ILE 3076CO -0.03 0.14 0.15 0.00 0.00 0.00 0.00 178.15 178.41 1rxs h ALA 3077N 0.75 0.38 -0.29 1.87 0.00 -0.66 -1.26 119.26 120.05 1rxs h ALA 3077Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rxs h ALA 3077Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rxs h ALA 3077CO 0.00 -0.07 0.17 0.28 0.00 0.00 0.00 179.25 179.63 1rxs h VAL 3078N 0.35 1.11 -0.04 0.00 2.07 -0.96 0.10 116.25 118.89 1rxs h VAL 3078Ca 0.10 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1rxs h VAL 3078Cb 0.11 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1rxs h VAL 3078CO -0.01 0.11 -0.08 -0.08 0.02 0.00 0.00 177.57 177.53 1rxs h GLU 3079N 0.36 -0.12 -0.16 1.57 4.57 -1.20 0.14 114.58 119.75 1rxs h GLU 3079Ca 0.10 0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.11 1rxs h GLU 3079Cb 0.03 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1rxs h GLU 3079CO -0.02 -0.08 -0.66 0.93 -1.18 0.00 0.00 179.01 178.01 1rxs h GLU 3080N -0.12 0.60 -0.77 1.92 5.08 -1.08 -0.63 114.58 119.58 1rxs h GLU 3080Ca 0.04 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1rxs h GLU 3080Cb 0.18 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1rxs h GLU 3080CO -0.11 1.06 0.49 -0.07 -1.00 0.00 0.00 179.01 179.38 1rxs h LEU 3081N 0.44 0.90 -0.55 1.33 3.38 -0.69 -2.25 115.31 117.86 1rxs h LEU 3081Ca -0.02 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1rxs h LEU 3081Cb 1.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1rxs h LEU 3081CO 0.13 0.67 0.05 0.00 0.09 0.00 0.00 178.44 179.37 1rxs h ALA 3082N 1.49 0.74 -0.08 1.53 0.00 0.11 -1.33 119.26 121.71 1rxs h ALA 3082Ca 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 3082Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1rxs h ALA 3082CO -0.06 0.52 -0.04 1.96 0.00 0.00 0.00 179.25 181.64 1rxs h GLN 3083N 0.82 0.12 -0.06 0.00 4.20 -0.77 -0.53 115.11 118.90 1rxs h GLN 3083Ca 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1rxs h GLN 3083Cb 0.47 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1rxs h GLN 3083CO 0.02 0.17 0.00 1.28 -0.67 0.00 0.00 178.83 179.63 1rxs n LEU 3084N -4.42 1.03 0.00 1.46 4.77 -0.86 -4.91 117.00 114.06 1rxs n LEU 3084Ca -0.02 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1rxs n LEU 3084Cb 0.16 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1rxs n LEU 3084CO 0.36 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1rxs n GLY 3085N 1.06 0.77 3.75 -0.72 0.00 -0.21 -4.83 105.19 105.01 1rxs n GLY 3085Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1rxs n GLY 3085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 3086N -2.00 2.84 0.00 -0.61 -1.09 -0.56 -4.47 121.20 115.31 1rxs s ILE 3086Ca 0.00 0.74 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 1rxs s ILE 3086Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1rxs s ILE 3086CO 0.00 0.13 0.00 0.54 -1.23 0.00 0.00 174.94 174.38 1rxs n ARG 3087N 1.98 3.22 -4.53 2.79 5.12 0.13 -4.29 116.66 121.08 1rxs n ARG 3087Ca 0.05 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.71 1rxs n ARG 3087Cb 0.41 -0.33 -0.17 0.00 -1.16 0.00 0.00 32.46 31.22 1rxs n ARG 3087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxs s THR 3088N -0.55 1.17 -0.16 0.55 2.01 -0.62 -1.22 115.64 116.81 1rxs s THR 3088Ca 0.00 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1rxs s THR 3088Cb 0.00 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1rxs s THR 3088CO 0.00 0.37 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.74 1rxs s PHE 3089N 0.78 2.61 -0.32 4.92 0.08 0.22 -0.48 117.98 125.78 1rxs s PHE 3089Ca -0.12 -1.47 -0.06 0.00 0.12 0.00 0.00 56.93 55.39 1rxs s PHE 3089Cb -0.15 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1rxs s PHE 3089CO 0.02 -0.73 0.09 -0.51 -0.10 0.00 0.00 175.22 173.99 1rxs s LEU 3090N 1.21 4.07 -0.06 -0.37 1.43 -0.06 -1.10 118.68 123.81 1rxs s LEU 3090Ca 0.02 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 51.87 1rxs s LEU 3090Cb -0.14 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1rxs s LEU 3090CO -0.10 -0.26 1.05 -0.60 0.23 0.00 0.00 176.35 176.67 1rxs s ARG 3091N 1.44 4.44 -0.11 1.70 6.06 -0.11 -0.42 118.95 131.95 1rxs s ARG 3091Ca 0.00 1.47 0.02 0.00 -2.50 0.00 0.00 55.73 54.73 1rxs s ARG 3091Cb -0.18 -3.51 -0.01 0.00 0.06 0.00 0.00 34.95 31.30 1rxs s ARG 3091CO 0.02 -0.28 -0.19 -1.50 -2.50 0.00 0.00 175.30 170.86 1rxs s ILE 3092N 1.77 2.53 0.31 4.11 1.10 -1.17 -1.48 121.20 128.37 1rxs s ILE 3092Ca 0.51 -0.85 -0.02 0.00 -0.51 0.00 0.00 60.65 59.78 1rxs s ILE 3092Cb -0.21 -2.01 0.01 0.00 0.15 0.00 0.00 42.46 40.40 1rxs s ILE 3092CO 0.22 0.55 0.44 0.61 -2.11 0.00 0.00 174.94 174.64 1rxs n GLY 3093N 3.46 2.19 3.53 1.50 0.00 -0.67 -4.08 105.19 111.12 1rxs n GLY 3093Ca -0.18 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 1rxs n GLY 3093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxs s THR 3094N -2.76 3.00 0.26 2.61 -4.23 -1.26 -1.62 115.64 111.64 1rxs s THR 3094Ca 0.26 -1.66 -0.16 0.00 -1.18 0.00 0.00 61.69 58.95 1rxs s THR 3094Cb -0.01 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.38 1rxs s THR 3094CO 0.18 -0.05 0.58 0.28 -0.54 0.00 0.00 174.62 175.07 1rxs s THR 3095N -1.55 0.00 -0.21 3.99 -1.32 -0.19 -4.87 115.64 111.49 1rxs s THR 3095Ca 0.23 -1.25 -0.01 0.00 -1.21 0.00 0.00 61.69 59.44 1rxs s THR 3095Cb -0.09 -2.15 0.01 0.00 -1.51 0.00 0.00 72.50 68.76 1rxs s THR 3095CO 0.13 0.00 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.60 1rxs s GLY 3096N -2.99 1.51 0.48 6.08 0.00 -1.25 -0.94 107.32 110.22 1rxs s GLY 3096Ca 0.18 -1.22 -0.21 0.00 0.00 0.00 0.00 44.72 43.47 1rxs s GLY 3096CO 0.08 0.37 1.09 0.00 0.00 0.00 0.00 173.10 174.64 1rxs s ALA 3097N 1.38 2.88 -0.44 3.20 0.00 -0.60 -2.81 121.76 125.37 1rxs s ALA 3097Ca 0.05 0.74 0.05 0.00 0.00 0.00 0.00 51.96 52.79 1rxs s ALA 3097Cb -0.14 -3.31 0.11 0.00 0.00 0.00 0.00 23.12 19.78 1rxs s ALA 3097CO -0.08 -0.48 1.00 0.44 0.00 0.00 0.00 175.76 176.65 1rxs n ILE 3098N -0.81 0.77 -4.30 0.00 -5.35 0.10 -2.00 119.36 107.78 1rxs n ILE 3098Ca 0.09 -0.88 -0.35 0.00 -0.27 0.00 0.00 62.75 61.33 1rxs n ILE 3098Cb 0.51 0.64 -0.09 0.00 -1.74 0.00 0.00 39.64 38.95 1rxs n ILE 3098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxs s GLN 3099N -0.86 3.18 0.44 6.28 -1.52 -1.24 -4.75 119.66 121.18 1rxs s GLN 3099Ca 0.09 -0.39 0.19 0.00 -1.95 0.00 0.00 55.36 53.30 1rxs s GLN 3099Cb 0.05 -2.88 1.03 0.00 -0.22 0.00 0.00 33.01 30.99 1rxs s GLN 3099CO 0.06 0.63 1.94 -1.00 -0.25 0.00 0.00 175.29 176.67 1rxs h PRO 3100N 5.42 0.00 0.00 2.91 0.13 -1.96 -2.91 132.00 135.59 1rxs h PRO 3100Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1rxs h PRO 3100Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rxs h PRO 3100CO 0.57 0.24 0.00 1.12 -0.23 0.00 0.00 178.00 179.70 1rxs h HIS 3101N 0.00 0.00 -3.31 1.56 2.07 -2.02 -3.44 115.15 110.01 1rxs h HIS 3101Ca -0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 1rxs h HIS 3101Cb 0.50 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.40 1rxs h HIS 3101CO 0.00 0.00 0.39 0.42 -3.07 0.00 0.00 177.93 175.67 1rxs s ILE 3102N -3.14 4.88 0.18 6.12 1.01 -1.10 -5.05 121.20 124.09 1rxs s ILE 3102Ca 0.09 1.54 0.04 0.00 0.00 0.00 0.00 60.65 62.32 1rxs s ILE 3102Cb 0.12 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1rxs s ILE 3102CO 0.57 -0.01 0.29 0.20 0.00 0.00 0.00 174.94 175.99 1rxs s ASN 3103N 1.25 6.22 0.17 3.58 0.02 -1.26 -4.88 114.94 120.04 1rxs s ASN 3103Ca 0.35 0.09 -0.32 0.00 -1.02 0.00 0.00 52.86 51.96 1rxs s ASN 3103Cb -0.16 -1.83 -0.12 0.00 0.02 0.00 0.00 41.25 39.16 1rxs s ASN 3103CO 0.10 0.01 1.72 0.52 0.02 0.00 0.00 177.10 179.47 1rxs n VAL 3104N -0.81 0.08 0.00 1.60 0.31 -1.26 -1.13 118.33 117.12 1rxs n VAL 3104Ca -0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1rxs n VAL 3104Cb 0.55 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1rxs n VAL 3104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxs n GLY 3105N 3.90 2.40 3.74 2.92 0.00 -0.05 -5.01 105.19 113.09 1rxs n GLY 3105Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1rxs n GLY 3105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxs s ASP 3106N -1.42 3.65 -0.06 1.61 -0.00 -0.28 -4.73 116.67 115.44 1rxs s ASP 3106Ca 0.00 1.33 0.04 0.00 -0.00 0.00 0.00 52.55 53.92 1rxs s ASP 3106Cb 0.00 -2.01 0.00 0.00 -0.00 0.00 0.00 42.92 40.91 1rxs s ASP 3106CO 0.00 -2.51 -0.18 -0.69 -0.00 0.00 0.00 175.17 171.79 1rxs s VAL 3107N -3.04 1.58 -0.13 -1.27 1.01 -0.87 -0.72 120.40 116.95 1rxs s VAL 3107Ca 0.63 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1rxs s VAL 3107Cb -0.17 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1rxs s VAL 3107CO 0.56 0.45 -0.15 -0.76 0.00 0.00 0.00 175.10 175.20 1rxs s LEU 3108N 0.25 2.54 -0.20 3.92 1.43 0.12 -0.93 118.68 125.81 1rxs s LEU 3108Ca -0.10 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1rxs s LEU 3108Cb -0.14 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1rxs s LEU 3108CO 0.04 0.14 -0.02 -0.69 0.23 0.00 0.00 176.35 176.05 1rxs s VAL 3109N 0.51 3.78 -0.23 -1.59 1.01 -0.48 -0.93 120.40 122.46 1rxs s VAL 3109Ca -0.10 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 1rxs s VAL 3109Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1rxs s VAL 3109CO 0.04 0.44 0.34 -0.89 0.00 0.00 0.00 175.10 175.03 1rxs s THR 3110N 1.01 5.23 0.04 3.92 2.01 -0.73 -1.66 115.64 125.45 1rxs s THR 3110Ca 0.01 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 1rxs s THR 3110Cb -0.14 -3.67 -0.26 0.00 0.01 0.00 0.00 72.50 68.43 1rxs s THR 3110CO 0.01 0.24 1.00 0.71 -0.69 0.00 0.00 174.62 175.89 1rxs h THR 3111N 5.14 1.33 -2.33 -0.82 1.35 -0.91 -3.41 112.91 113.26 1rxs h THR 3111Ca -0.35 -2.97 0.14 0.00 -0.55 0.00 0.00 66.41 62.68 1rxs h THR 3111Cb 1.16 2.81 -0.11 0.00 -1.73 0.00 0.00 68.15 70.28 1rxs h THR 3111CO 0.68 0.84 0.48 0.00 -0.25 0.00 0.00 175.52 177.27 1rxs s ALA 3112N -2.64 -1.73 0.07 6.62 0.00 -1.25 -0.79 121.76 122.03 1rxs s ALA 3112Ca -0.05 0.54 0.09 0.00 0.00 0.00 0.00 51.96 52.53 1rxs s ALA 3112Cb 0.07 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1rxs s ALA 3112CO 0.85 -0.87 -0.24 -1.12 0.00 0.00 0.00 175.76 174.38 1rxs s SER 3113N -2.73 2.94 0.03 0.00 0.01 0.22 -1.82 113.70 112.35 1rxs s SER 3113Ca 0.09 -0.61 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 1rxs s SER 3113Cb -0.01 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.93 1rxs s SER 3113CO -0.03 0.20 1.30 -0.69 0.41 0.00 0.00 173.24 174.42 1rxs s VAL 3114N -0.88 3.85 -1.08 3.43 1.01 0.16 -4.29 120.40 122.59 1rxs s VAL 3114Ca 0.10 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.20 1rxs s VAL 3114Cb -0.10 -3.82 0.16 0.00 0.00 0.00 0.00 36.38 32.62 1rxs s VAL 3114CO 0.03 0.05 1.29 -0.13 0.00 0.00 0.00 175.10 176.33 1rxs s ARG 3115N 1.71 3.87 -0.47 2.72 0.52 -1.26 -0.84 118.95 125.20 1rxs s ARG 3115Ca 0.61 -2.23 0.03 0.00 -0.52 0.00 0.00 55.73 53.62 1rxs s ARG 3115Cb -0.30 -4.98 0.62 0.00 0.52 0.00 0.00 34.95 30.81 1rxs s ARG 3115CO 0.27 -1.76 1.92 1.28 0.02 0.00 0.00 175.30 177.04 1rxs n LEU 3116N 5.98 6.82 -4.64 2.53 4.77 0.26 -4.96 117.00 127.75 1rxs n LEU 3116Ca 0.31 -3.67 -0.29 0.00 -0.03 0.00 0.00 56.01 52.33 1rxs n LEU 3116Cb 0.46 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 1rxs n LEU 3116CO 0.56 1.10 -0.26 1.51 -1.33 0.00 0.00 177.39 178.97 1rxs s ASP 3117N -1.33 3.66 -0.19 -1.43 -4.77 -1.22 -1.74 116.67 109.66 1rxs s ASP 3117Ca 0.57 -1.53 0.14 0.00 -3.30 0.00 0.00 52.55 48.43 1rxs s ASP 3117Cb 0.47 0.13 -0.21 0.00 -1.09 0.00 0.00 42.92 42.23 1rxs s ASP 3117CO 0.09 -0.70 0.02 0.61 0.70 0.00 0.00 175.17 175.89 1rxs n GLY 3118N -1.05 -0.79 0.17 2.12 0.00 -1.26 -4.68 105.19 99.70 1rxs n GLY 3118Ca -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 1rxs n GLY 3118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs h ALA 3119N 0.74 1.00 -0.03 4.61 0.00 -1.98 -2.54 119.26 121.07 1rxs h ALA 3119Ca -0.49 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 53.89 1rxs h ALA 3119Cb 2.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1rxs h ALA 3119CO 0.01 0.67 -0.17 0.66 0.00 0.00 0.00 179.25 180.41 1rxs h SER 3120N 0.15 0.04 0.50 0.00 4.64 -1.85 0.17 113.55 117.19 1rxs h SER 3120Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rxs h SER 3120Cb 0.97 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1rxs h SER 3120CO 0.08 0.22 0.00 -0.07 -0.87 0.00 0.00 176.83 176.18 1rxs h LEU 3121N 0.04 0.00 -0.10 5.97 3.38 -1.57 -0.85 115.31 122.17 1rxs h LEU 3121Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rxs h LEU 3121Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rxs h LEU 3121CO 0.02 0.00 -0.03 1.41 0.09 0.00 0.00 178.44 179.93 1rxs n HIS 3122N -2.95 0.00 -0.02 1.13 8.25 0.59 -3.98 115.22 118.24 1rxs n HIS 3122Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1rxs n HIS 3122Cb 0.18 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 1rxs n HIS 3122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxs n PHE 3123N -1.07 0.00 -3.72 4.41 3.72 -0.42 -5.08 117.46 115.30 1rxs n PHE 3123Ca 0.17 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.43 1rxs n PHE 3123Cb 0.22 -0.16 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 1rxs n PHE 3123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rxs s ALA 3124N -2.08 -0.98 0.92 4.37 0.00 -0.64 -5.04 121.76 118.32 1rxs s ALA 3124Ca -0.06 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 1rxs s ALA 3124Cb 0.01 -0.17 0.15 0.00 0.00 0.00 0.00 23.12 23.11 1rxs s ALA 3124CO 0.09 -0.25 1.09 -1.25 0.00 0.00 0.00 175.76 175.45 1rxs s PRO 3125N -0.83 1.01 0.46 0.00 0.04 -1.26 -3.93 135.00 130.50 1rxs s PRO 3125Ca -0.09 1.06 0.14 0.00 0.04 0.00 0.00 61.00 62.15 1rxs s PRO 3125Cb -0.04 -1.76 1.10 0.00 0.04 0.00 0.00 34.50 33.84 1rxs s PRO 3125CO 0.04 -2.48 2.05 1.25 0.04 0.00 0.00 177.00 177.90 1rxs h LEU 3126N -1.73 0.25 -1.05 -3.56 5.85 -1.93 -0.70 115.31 112.44 1rxs h LEU 3126Ca -0.49 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1rxs h LEU 3126Cb 1.28 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1rxs h LEU 3126CO 0.50 0.17 0.00 1.05 -0.34 0.00 0.00 178.44 179.82 1rxs h GLU 3127N 0.29 0.00 -6.43 1.25 9.09 -2.02 -3.43 114.58 113.32 1rxs h GLU 3127Ca 0.17 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 59.04 1rxs h GLU 3127Cb 0.32 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.40 1rxs h GLU 3127CO -0.04 0.00 0.37 0.12 0.05 0.00 0.00 179.01 179.52 1rxs s PHE 3128N -3.44 3.67 0.15 2.06 5.36 -0.27 -5.00 117.98 120.51 1rxs s PHE 3128Ca 0.01 1.70 -0.31 0.00 -0.96 0.00 0.00 56.93 57.38 1rxs s PHE 3128Cb 0.08 -3.12 -0.08 0.00 -0.34 0.00 0.00 43.02 39.56 1rxs s PHE 3128CO 0.33 -0.02 1.32 -1.25 -1.46 0.00 0.00 175.22 174.13 1rxs s PRO 3129N 0.87 4.38 -1.39 10.12 0.04 -1.26 -4.92 135.00 142.84 1rxs s PRO 3129Ca 0.52 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 63.41 1rxs s PRO 3129Cb -0.22 -3.24 0.06 0.00 0.04 0.00 0.00 34.50 31.15 1rxs s PRO 3129CO 0.28 -0.31 2.02 0.00 0.04 0.00 0.00 177.00 179.04 1rxs n ALA 3130N 3.28 4.79 -2.64 8.56 0.00 -1.26 -4.78 120.51 128.46 1rxs n ALA 3130Ca 0.08 -3.90 -0.33 0.00 0.00 0.00 0.00 53.44 49.30 1rxs n ALA 3130Cb 0.43 -3.53 -0.10 0.00 0.00 0.00 0.00 19.45 16.26 1rxs n ALA 3130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxs s VAL 3131N 3.41 3.94 0.63 0.00 0.11 -1.26 -0.61 120.40 126.63 1rxs s VAL 3131Ca 0.49 -0.62 -0.11 0.00 -2.93 0.00 0.00 61.98 58.81 1rxs s VAL 3131Cb 0.10 -2.72 -0.03 0.00 -1.53 0.00 0.00 36.38 32.20 1rxs s VAL 3131CO -0.02 0.42 1.03 0.00 -3.33 0.00 0.00 175.10 173.20 1rxs s ALA 3132N -1.01 3.07 0.27 1.54 0.00 0.03 -4.66 121.76 120.99 1rxs s ALA 3132Ca 0.17 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 1rxs s ALA 3132Cb -0.11 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 1rxs s ALA 3132CO 0.08 -0.78 1.10 0.34 0.00 0.00 0.00 175.76 176.50 1rxs s ASP 3133N -4.22 7.26 0.28 0.00 -1.08 0.42 -4.94 116.67 114.39 1rxs s ASP 3133Ca 0.55 2.25 -0.01 0.00 -0.52 0.00 0.00 52.55 54.83 1rxs s ASP 3133Cb -0.11 -2.62 0.40 0.00 -1.46 0.00 0.00 42.92 39.13 1rxs s ASP 3133CO 0.53 -0.16 1.81 0.15 0.52 0.00 0.00 175.17 178.02 1rxs h PHE 3134N 3.98 0.80 -0.21 -5.34 3.04 -1.96 -1.89 116.94 115.36 1rxs h PHE 3134Ca -0.46 -0.09 -0.14 0.00 3.98 0.00 0.00 57.97 61.26 1rxs h PHE 3134Cb 1.21 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 1rxs h PHE 3134CO 0.59 0.71 -0.46 0.93 -2.02 0.00 0.00 178.31 178.07 1rxs h GLU 3135N 0.73 0.54 -0.02 1.11 5.08 -1.94 -1.04 114.58 119.03 1rxs h GLU 3135Ca 0.15 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1rxs h GLU 3135Cb 0.36 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1rxs h GLU 3135CO 0.01 0.89 -0.00 0.00 -1.00 0.00 0.00 179.01 178.90 1rxs h THR 3137N -0.29 1.10 -0.28 0.00 2.02 -1.34 0.13 112.91 114.24 1rxs h THR 3137Ca 0.01 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.03 1rxs h THR 3137Cb 0.35 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1rxs h THR 3137CO 0.00 0.11 0.03 0.74 0.37 0.00 0.00 175.52 176.77 1rxs h THR 3138N 0.58 0.84 -0.86 3.16 2.02 -1.15 0.01 112.91 117.51 1rxs h THR 3138Ca 0.17 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.32 1rxs h THR 3138Cb -0.05 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 1rxs h THR 3138CO -0.05 0.02 0.56 0.00 0.37 0.00 0.00 175.52 176.43 1rxs h ALA 3139N 1.22 1.10 -0.01 6.16 0.00 -0.52 -0.28 119.26 126.93 1rxs h ALA 3139Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rxs h ALA 3139Cb 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1rxs h ALA 3139CO -0.19 0.45 -0.00 -0.07 0.00 0.00 0.00 179.25 179.44 1rxs h LEU 3140N 1.13 0.02 -1.07 0.00 3.38 -0.31 0.30 115.31 118.76 1rxs h LEU 3140Ca 0.32 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1rxs h LEU 3140Cb -0.08 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1rxs h LEU 3140CO -0.09 0.37 0.63 0.58 0.09 0.00 0.00 178.44 180.02 1rxs h VAL 3141N -0.33 1.16 -0.08 1.22 2.07 -0.82 -1.20 116.25 118.26 1rxs h VAL 3141Ca 0.00 -0.41 -0.21 0.00 0.82 0.00 0.00 66.70 66.90 1rxs h VAL 3141Cb 0.36 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1rxs h VAL 3141CO 0.00 0.22 -0.81 -0.33 0.02 0.00 0.00 177.57 176.67 1rxs h GLU 3142N 1.20 0.56 -0.02 1.57 5.08 -0.89 -1.50 114.58 120.58 1rxs h GLU 3142Ca 0.38 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1rxs h GLU 3142Cb 0.02 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1rxs h GLU 3142CO -0.12 1.12 -0.06 0.00 -1.00 0.00 0.00 179.01 178.95 1rxs h ALA 3143N 0.73 -0.04 -0.53 3.43 0.00 -0.73 -1.71 119.26 120.41 1rxs h ALA 3143Ca -0.06 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1rxs h ALA 3143Cb 1.42 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 1rxs h ALA 3143CO 0.15 -0.54 0.16 0.00 0.00 0.00 0.00 179.25 179.02 1rxs h ALA 3144N 0.92 0.63 -0.16 0.00 0.00 -1.11 -0.24 119.26 119.31 1rxs h ALA 3144Ca 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rxs h ALA 3144Cb 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rxs h ALA 3144CO -0.07 -0.25 -0.00 -0.22 0.00 0.00 0.00 179.25 178.71 1rxs h LYS 3145N 0.32 0.23 0.00 0.00 3.64 -1.13 -1.92 116.57 117.72 1rxs h LYS 3145Ca 0.26 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.43 1rxs h LYS 3145Cb 0.32 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1rxs h LYS 3145CO -0.29 0.26 -0.96 0.66 -2.27 0.00 0.00 179.45 176.84 1rxs h SER 3146N 0.23 0.00 0.78 4.20 4.64 -0.11 -3.26 113.55 120.03 1rxs h SER 3146Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1rxs h SER 3146Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1rxs h SER 3146CO 0.00 0.80 -1.16 2.30 -0.87 0.00 0.00 176.83 177.91 1rxs n ILE 3147N -3.23 0.47 0.00 0.95 -6.64 -0.77 -5.01 119.36 105.13 1rxs n ILE 3147Ca -0.02 -0.51 0.00 0.00 -1.77 0.00 0.00 62.75 60.45 1rxs n ILE 3147Cb 0.88 -0.23 0.00 0.00 -1.44 0.00 0.00 39.64 38.85 1rxs n ILE 3147CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rxs n GLY 3148N 1.21 0.98 3.74 3.28 0.00 -0.75 -5.10 105.19 108.55 1rxs n GLY 3148Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1rxs n GLY 3148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs s ALA 3149N -2.00 2.49 -0.30 4.61 0.00 -1.02 -4.96 121.76 120.59 1rxs s ALA 3149Ca 0.00 1.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.84 1rxs s ALA 3149Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1rxs s ALA 3149CO 0.00 -1.38 0.90 0.95 0.00 0.00 0.00 175.76 176.22 1rxs s THR 3150N -1.47 4.71 0.01 0.00 -4.23 -1.26 -4.73 115.64 108.67 1rxs s THR 3150Ca 0.79 1.45 0.06 0.00 -1.18 0.00 0.00 61.69 62.82 1rxs s THR 3150Cb -0.35 -4.23 -0.03 0.00 1.34 0.00 0.00 72.50 69.23 1rxs s THR 3150CO 0.37 -0.29 -0.17 -0.89 -0.54 0.00 0.00 174.62 173.11 1rxs s THR 3151N 3.16 2.89 -0.08 3.99 2.01 -1.26 -2.04 115.64 124.30 1rxs s THR 3151Ca 0.37 -1.03 0.05 0.00 0.31 0.00 0.00 61.69 61.39 1rxs s THR 3151Cb -0.14 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.18 1rxs s THR 3151CO 0.12 0.42 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.23 1rxs s HIS 3152N -0.86 2.45 -0.14 4.92 3.76 -0.11 -4.95 115.29 120.35 1rxs s HIS 3152Ca 0.14 -0.87 -0.00 0.00 -0.15 0.00 0.00 55.06 54.18 1rxs s HIS 3152Cb -0.11 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 1rxs s HIS 3152CO 0.04 -0.31 -0.13 0.08 -0.85 0.00 0.00 174.74 173.57 1rxs s VAL 3153N 0.10 2.98 -2.13 -0.90 1.01 -1.26 -1.38 120.40 118.81 1rxs s VAL 3153Ca -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1rxs s VAL 3153Cb -0.16 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1rxs s VAL 3153CO 0.06 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1rxs n GLY 3154N 3.77 -0.68 3.84 4.51 0.00 -0.66 -4.96 105.19 111.01 1rxs n GLY 3154Ca -0.18 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1rxs n GLY 3154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 3155N -4.00 5.10 -0.04 1.61 1.01 -1.26 -0.17 120.40 122.65 1rxs s VAL 3155Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.78 1rxs s VAL 3155Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1rxs s VAL 3155CO 0.00 0.57 -0.22 -0.89 0.00 0.00 0.00 175.10 174.56 1rxs s THR 3156N -1.09 2.41 -0.32 3.92 2.01 -0.76 0.26 115.64 122.07 1rxs s THR 3156Ca 0.23 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 1rxs s THR 3156Cb -0.16 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1rxs s THR 3156CO 0.12 0.58 0.67 0.00 -0.69 0.00 0.00 174.62 175.30 1rxs s ALA 3157N -0.56 3.51 -0.36 7.40 0.00 -0.15 0.37 121.76 131.98 1rxs s ALA 3157Ca 0.08 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 1rxs s ALA 3157Cb -0.11 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1rxs s ALA 3157CO 0.00 -1.18 0.16 0.45 0.00 0.00 0.00 175.76 175.20 1rxs s SER 3158N 1.68 5.56 -0.05 0.00 0.15 -0.02 -1.60 113.70 119.42 1rxs s SER 3158Ca 0.27 -1.02 0.03 0.00 0.70 0.00 0.00 55.95 55.93 1rxs s SER 3158Cb -0.15 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1rxs s SER 3158CO 0.13 -0.35 -0.14 -0.55 1.20 0.00 0.00 173.24 173.53 1rxs s SER 3159N 1.50 4.09 0.36 5.45 0.15 0.48 -0.57 113.70 125.16 1rxs s SER 3159Ca 0.01 -0.18 0.27 0.00 0.70 0.00 0.00 55.95 56.75 1rxs s SER 3159Cb -0.19 -0.88 0.98 0.00 -1.71 0.00 0.00 66.02 64.22 1rxs s SER 3159CO 0.05 0.35 1.79 0.44 1.20 0.00 0.00 173.24 177.07 1rxs h ASP 3160N 5.32 0.00 -3.19 5.45 3.45 -1.64 -3.39 116.42 122.42 1rxs h ASP 3160Ca -0.47 0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.35 1rxs h ASP 3160Cb 1.15 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 39.76 1rxs h ASP 3160CO 0.50 0.00 -0.77 0.42 -1.57 0.00 0.00 179.24 177.82 1rxs s THR 3161N -3.37 2.81 -0.17 0.35 -4.23 -1.26 -4.97 115.64 104.80 1rxs s THR 3161Ca 0.05 -1.78 0.17 0.00 -1.18 0.00 0.00 61.69 58.95 1rxs s THR 3161Cb 0.09 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 1rxs s THR 3161CO 0.51 -0.08 1.13 0.15 -0.54 0.00 0.00 174.62 175.80 1rxs h PHE 3162N 3.15 0.00 0.00 3.99 3.57 -1.97 -3.37 116.94 122.31 1rxs h PHE 3162Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1rxs h PHE 3162Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1rxs h PHE 3162CO 0.66 0.42 0.00 0.66 -2.23 0.00 0.00 178.31 177.82 1rxs n TYR 3163N -2.99 0.00 0.06 0.41 4.02 -1.26 -4.42 117.16 112.98 1rxs n TYR 3163Ca -0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.85 1rxs n TYR 3163Cb 0.74 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 40.34 1rxs n TYR 3163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1rxs h PRO 3164N 0.00 0.36 0.00 -0.72 0.13 -1.86 -0.33 132.00 129.57 1rxs h PRO 3164Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1rxs h PRO 3164Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1rxs h PRO 3164CO 0.00 0.55 0.00 0.78 -0.23 0.00 0.00 178.00 179.10 1rxs h GLY 3165N 0.94 0.00 -2.10 1.56 0.00 -1.88 -0.03 103.07 101.57 1rxs h GLY 3165Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1rxs h GLY 3165CO 0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 1rxs n GLN 3166N -2.66 3.25 -3.71 4.80 6.02 -0.47 -4.91 117.38 119.70 1rxs n GLN 3166Ca 0.02 -2.62 -0.23 0.00 -0.01 0.00 0.00 57.00 54.15 1rxs n GLN 3166Cb 0.29 -1.69 0.04 0.00 1.02 0.00 0.00 30.24 29.90 1rxs n GLN 3166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rxs n GLU 3167N 0.47 -5.60 -3.18 -1.09 2.13 -0.02 -4.94 120.64 108.41 1rxs n GLU 3167Ca 0.20 0.66 -0.39 0.00 0.66 0.00 0.00 57.16 58.30 1rxs n GLU 3167Cb 0.75 -5.42 -0.05 0.00 0.27 0.00 0.00 31.44 26.99 1rxs n GLU 3167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxs s ARG 3168N -6.09 4.36 0.00 5.31 0.52 -0.26 -4.97 118.95 117.82 1rxs s ARG 3168Ca 0.23 0.70 0.15 0.00 -0.52 0.00 0.00 55.73 56.29 1rxs s ARG 3168Cb -0.11 -3.40 0.22 0.00 0.52 0.00 0.00 34.95 32.18 1rxs s ARG 3168CO 0.80 0.21 1.10 0.66 0.02 0.00 0.00 175.30 178.09 1rxs n TYR 3169N 3.33 0.20 -2.35 -0.53 4.01 -1.26 -4.45 117.16 116.11 1rxs n TYR 3169Ca -0.05 -0.16 -0.42 0.00 -0.16 0.00 0.00 57.90 57.11 1rxs n TYR 3169Cb 0.51 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1rxs n TYR 3169CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1rxs n ASP 3170N 0.88 5.54 -3.80 7.72 5.75 -1.26 -4.34 116.55 127.05 1rxs n ASP 3170Ca 0.11 -3.14 -0.18 0.00 -0.01 0.00 0.00 54.79 51.57 1rxs n ASP 3170Cb 0.42 -1.44 -0.09 0.00 -1.03 0.00 0.00 41.12 38.98 1rxs n ASP 3170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1rxs s THR 3171N -0.09 0.15 0.22 2.12 -4.23 -1.26 -5.00 115.64 107.54 1rxs s THR 3171Ca 0.40 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 1rxs s THR 3171Cb 0.10 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.61 1rxs s THR 3171CO 0.00 0.00 1.77 0.22 -0.54 0.00 0.00 174.62 176.08 1rxs h TYR 3172N 2.24 0.57 0.06 3.99 5.03 -1.99 -3.17 116.97 123.71 1rxs h TYR 3172Ca -0.31 0.03 -0.33 0.00 2.58 0.00 0.00 58.73 60.70 1rxs h TYR 3172Cb 1.24 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 39.33 1rxs h TYR 3172CO 1.18 0.21 -1.90 -1.13 -1.32 0.00 0.00 178.16 175.20 1rxs n SER 3173N -4.89 1.51 -0.30 -2.11 3.41 -1.26 -4.99 113.62 105.00 1rxs n SER 3173Ca 0.10 0.28 -0.04 0.00 -0.26 0.00 0.00 58.87 58.95 1rxs n SER 3173Cb 0.25 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 1rxs n SER 3173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rxs n GLY 3174N 1.81 0.58 3.19 5.00 0.00 -1.20 -5.02 105.19 109.54 1rxs n GLY 3174Ca -0.26 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1rxs n GLY 3174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxs s ARG 3175N -2.63 0.88 -0.07 1.61 1.70 -1.26 -4.93 118.95 114.24 1rxs s ARG 3175Ca 0.00 -1.27 0.02 0.00 -0.47 0.00 0.00 55.73 54.01 1rxs s ARG 3175Cb 0.00 -0.44 0.02 0.00 -0.57 0.00 0.00 34.95 33.96 1rxs s ARG 3175CO 0.00 0.05 -0.10 0.08 -1.08 0.00 0.00 175.30 174.24 1rxs s VAL 3176N -2.98 1.01 0.28 4.99 1.01 -1.26 -4.92 120.40 118.52 1rxs s VAL 3176Ca 0.09 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1rxs s VAL 3176Cb 0.01 -0.95 -0.14 0.00 0.00 0.00 0.00 36.38 35.29 1rxs s VAL 3176CO -0.01 0.33 0.94 0.55 0.00 0.00 0.00 175.10 176.91 1rxs n VAL 3177N 4.01 2.00 -0.29 2.92 3.14 -1.26 -4.50 118.33 124.36 1rxs n VAL 3177Ca -0.22 -0.50 0.13 0.00 -2.96 0.00 0.00 64.34 60.80 1rxs n VAL 3177Cb 0.51 -0.85 0.26 0.00 -1.06 0.00 0.00 33.84 32.70 1rxs n VAL 3177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1rxs n ARG 3178N 0.76 -0.07 0.08 1.45 0.63 -1.26 -0.36 116.66 117.89 1rxs n ARG 3178Ca 0.11 1.24 0.04 0.00 -0.92 0.00 0.00 57.85 58.32 1rxs n ARG 3178Cb 0.31 -1.99 0.45 0.00 0.45 0.00 0.00 32.46 31.69 1rxs n ARG 3178CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1rxs h HIS 3179N 0.00 0.36 -0.01 -0.14 2.76 -2.02 -2.75 115.15 113.34 1rxs h HIS 3179Ca 0.52 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 1rxs h HIS 3179Cb 1.09 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.94 1rxs h HIS 3179CO -0.40 0.28 -0.65 1.19 -1.30 0.00 0.00 177.93 177.06 1rxs n PHE 3180N -4.44 0.00 -1.73 5.26 3.01 0.52 -4.80 117.46 115.28 1rxs n PHE 3180Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 1rxs n PHE 3180Cb 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 1rxs n PHE 3180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1rxs s LYS 3181N -2.62 4.02 0.00 -1.08 2.20 -0.82 -1.81 119.74 119.63 1rxs s LYS 3181Ca 0.14 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 1rxs s LYS 3181Cb 0.17 -4.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1rxs s LYS 3181CO 0.66 -1.08 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1rxs n GLY 3182N 4.62 0.55 0.13 5.54 0.00 -1.26 -4.93 105.19 109.84 1rxs n GLY 3182Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 1rxs n GLY 3182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxs h SER 3183N 0.00 0.00 -0.43 1.61 4.64 -1.67 -3.14 113.55 114.56 1rxs h SER 3183Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1rxs h SER 3183Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1rxs h SER 3183CO 0.00 0.65 -0.28 -0.03 -0.87 0.00 0.00 176.83 176.30 1rxs h MET 3184N 0.00 0.96 -0.93 4.77 -1.53 -1.92 -1.62 114.93 114.67 1rxs h MET 3184Ca -0.01 -0.44 0.00 0.00 -3.44 0.00 0.00 59.70 55.81 1rxs h MET 3184Cb 1.16 -0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 32.15 1rxs h MET 3184CO 0.08 1.11 0.59 1.49 0.14 0.00 0.00 176.91 180.32 1rxs h GLU 3185N 0.81 1.24 0.18 0.39 4.81 -1.97 -0.28 114.58 119.76 1rxs h GLU 3185Ca 0.09 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1rxs h GLU 3185Cb 0.86 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1rxs h GLU 3185CO 0.08 0.84 -0.08 0.93 -0.73 0.00 0.00 179.01 180.05 1rxs h GLU 3186N 1.27 -0.23 -0.71 1.92 4.39 -1.42 -1.14 114.58 118.67 1rxs h GLU 3186Ca 0.34 0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.07 1rxs h GLU 3186Cb -0.10 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1rxs h GLU 3186CO -0.07 -0.10 0.47 -1.49 -1.16 0.00 0.00 179.01 176.66 1rxs h TRP 3187N -0.30 0.86 -0.00 4.33 -0.00 -0.98 -1.75 115.95 118.10 1rxs h TRP 3187Ca -0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1rxs h TRP 3187Cb 0.23 -0.29 -0.00 0.00 -0.00 0.00 0.00 29.16 29.10 1rxs h TRP 3187CO -0.05 0.53 0.00 1.96 -0.00 0.00 0.00 178.44 180.88 1rxs h GLN 3188N 0.92 0.01 -0.14 0.49 4.20 -0.83 -1.32 115.11 118.43 1rxs h GLN 3188Ca 0.27 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.99 1rxs h GLN 3188Cb -0.04 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1rxs h GLN 3188CO -0.07 0.11 0.09 0.00 -0.67 0.00 0.00 178.83 178.29 1rxs h ALA 3189N 0.90 1.97 -0.23 3.87 0.00 -0.67 -0.43 119.26 124.67 1rxs h ALA 3189Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 3189Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rxs h ALA 3189CO -0.00 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 1rxs n MET 3190N -4.51 1.78 -0.96 0.00 2.81 -0.71 -4.92 117.12 110.61 1rxs n MET 3190Ca -0.01 -0.94 0.00 0.00 -1.81 0.00 0.00 57.70 54.94 1rxs n MET 3190Cb 0.13 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1rxs n MET 3190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxs n GLY 3191N 0.70 0.64 3.69 3.03 0.00 -0.17 -5.01 105.19 108.08 1rxs n GLY 3191Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1rxs n GLY 3191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rxs n VAL 3192N -2.42 1.86 0.08 1.61 0.31 -0.54 -4.66 118.33 114.58 1rxs n VAL 3192Ca 0.00 -0.47 -0.20 0.00 -0.01 0.00 0.00 64.34 63.66 1rxs n VAL 3192Cb 0.04 -1.51 -0.15 0.00 -0.91 0.00 0.00 33.84 31.31 1rxs n VAL 3192CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1rxs h MET 3193N 2.72 0.35 -2.17 5.55 0.00 -0.52 -3.42 114.93 117.44 1rxs h MET 3193Ca -0.45 -0.59 0.19 0.00 0.00 0.00 0.00 59.70 58.85 1rxs h MET 3193Cb 1.29 0.22 -0.10 0.00 0.00 0.00 0.00 31.60 33.01 1rxs h MET 3193CO 0.64 1.24 0.55 0.54 0.00 0.00 0.00 176.91 179.88 1rxs s ASN 3194N -7.19 -0.18 -0.09 1.22 4.22 -1.26 -0.72 114.94 110.93 1rxs s ASN 3194Ca -0.11 -0.30 -0.02 0.00 -2.14 0.00 0.00 52.86 50.29 1rxs s ASN 3194Cb 0.06 0.42 -0.03 0.00 1.28 0.00 0.00 41.25 42.97 1rxs s ASN 3194CO 0.87 -0.76 0.00 -0.31 -2.04 0.00 0.00 177.10 174.86 1rxs s TYR 3195N -3.11 3.15 0.00 1.54 1.51 -1.12 -0.97 117.35 118.34 1rxs s TYR 3195Ca 0.11 0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.33 1rxs s TYR 3195Cb -0.00 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1rxs s TYR 3195CO -0.00 0.42 0.00 -0.85 -1.11 0.00 0.00 175.55 174.00 1rxs n GLU 3196N 2.30 0.00 0.00 -0.62 -0.00 -0.63 -3.93 120.64 117.77 1rxs n GLU 3196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1rxs n GLU 3196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1rxs n GLU 3196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxs n MET 3197N 0.00 0.35 0.00 3.44 2.81 -1.26 -0.39 117.12 122.07 1rxs n MET 3197Ca 0.00 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.37 1rxs n MET 3197Cb 0.00 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 1rxs n MET 3197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1rxs n GLU 3198N -0.09 3.31 -0.11 0.03 4.71 -1.26 -3.52 120.64 123.71 1rxs n GLU 3198Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.04 1rxs n GLU 3198Cb 0.28 -0.58 -0.03 0.00 -1.01 0.00 0.00 31.44 30.10 1rxs n GLU 3198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1rxs h SER 3199N 0.00 0.62 -0.77 1.62 4.64 -1.94 -1.58 113.55 116.14 1rxs h SER 3199Ca 0.00 -0.36 0.14 0.00 -0.47 0.00 0.00 61.79 61.10 1rxs h SER 3199Cb 0.00 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 61.83 1rxs h SER 3199CO 0.00 0.84 0.34 0.00 -0.87 0.00 0.00 176.83 177.14 1rxs h ALA 3200N 0.80 1.11 0.12 5.18 0.00 -1.87 0.53 119.26 125.14 1rxs h ALA 3200Ca 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1rxs h ALA 3200Cb 0.57 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rxs h ALA 3200CO 0.03 -0.16 -0.06 1.15 0.00 0.00 0.00 179.25 180.21 1rxs h THR 3201N 0.51 1.06 -0.11 0.00 2.02 -1.83 -1.88 112.91 112.68 1rxs h THR 3201Ca 0.42 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1rxs h THR 3201Cb 0.61 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1rxs h THR 3201CO -0.38 0.20 -0.13 0.25 0.37 0.00 0.00 175.52 175.83 1rxs h LEU 3202N -0.56 -0.41 -0.38 2.58 5.85 -0.45 0.66 115.31 122.61 1rxs h LEU 3202Ca -0.02 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 1rxs h LEU 3202Cb 0.45 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1rxs h LEU 3202CO 0.03 -0.18 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.49 1rxs h LEU 3203N -0.17 1.00 -0.19 2.25 3.38 -0.01 -1.63 115.31 119.95 1rxs h LEU 3203Ca 0.09 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1rxs h LEU 3203Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1rxs h LEU 3203CO -0.21 1.27 -0.09 0.74 0.09 0.00 0.00 178.44 180.24 1rxs h THR 3204N 0.75 1.30 -0.15 0.22 2.02 -1.20 0.29 112.91 116.15 1rxs h THR 3204Ca 0.06 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.06 1rxs h THR 3204Cb 0.99 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1rxs h THR 3204CO 0.10 0.34 -0.12 0.00 0.37 0.00 0.00 175.52 176.21 1rxs h MET 3205N 0.09 0.24 0.10 6.66 -0.00 -0.80 -2.84 114.93 118.37 1rxs h MET 3205Ca 0.04 -0.05 -0.14 0.00 -0.00 0.00 0.00 59.70 59.55 1rxs h MET 3205Cb 0.56 -0.03 0.02 0.00 -0.00 0.00 0.00 31.60 32.15 1rxs h MET 3205CO 0.03 0.37 -0.59 0.00 -0.00 0.00 0.00 176.91 176.71 1rxs h ALA 3207N 0.08 1.00 -0.15 0.00 0.00 -0.85 -2.02 119.26 117.32 1rxs h ALA 3207Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rxs h ALA 3207Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1rxs h ALA 3207CO 0.11 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 1rxs n SER 3208N -2.41 2.65 -0.77 0.00 3.41 -1.08 -4.50 113.62 110.92 1rxs n SER 3208Ca -0.01 -2.34 0.01 0.00 -0.26 0.00 0.00 58.87 56.26 1rxs n SER 3208Cb 0.07 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1rxs n SER 3208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxs n GLN 3209N -0.33 0.00 -1.83 4.33 6.02 -0.86 -5.01 117.38 119.70 1rxs n GLN 3209Ca 0.10 -1.17 -0.17 0.00 -0.01 0.00 0.00 57.00 55.75 1rxs n GLN 3209Cb 0.47 -0.30 -0.04 0.00 1.02 0.00 0.00 30.24 31.39 1rxs n GLN 3209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 3210N 0.13 0.84 3.75 1.08 0.00 -1.17 -5.00 105.19 104.81 1rxs n GLY 3210Ca 0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1rxs n GLY 3210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 3211N -4.17 3.75 -0.15 0.99 1.43 -0.82 -5.05 118.68 114.67 1rxs s LEU 3211Ca 0.00 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 1rxs s LEU 3211Cb 0.00 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1rxs s LEU 3211CO 0.00 0.27 0.36 -0.13 0.23 0.00 0.00 176.35 177.08 1rxs s ARG 3212N -1.71 4.29 0.06 1.70 0.52 -0.36 -4.02 118.95 119.44 1rxs s ARG 3212Ca 0.22 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.69 1rxs s ARG 3212Cb -0.12 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 1rxs s ARG 3212CO 0.13 0.20 -0.11 0.00 0.02 0.00 0.00 175.30 175.54 1rxs s ALA 3213N 0.54 0.92 0.14 2.13 0.00 -1.26 0.69 121.76 124.91 1rxs s ALA 3213Ca 0.20 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 1rxs s ALA 3213Cb -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1rxs s ALA 3213CO 0.06 0.06 0.22 0.20 0.00 0.00 0.00 175.76 176.30 1rxs s GLY 3214N -1.79 0.48 -0.03 0.00 0.00 -0.26 -0.43 107.32 105.29 1rxs s GLY 3214Ca -0.04 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 1rxs s GLY 3214CO 0.01 -0.93 0.06 -0.29 0.00 0.00 0.00 173.10 171.96 1rxs s MET 3215N -3.96 0.05 0.03 2.90 1.75 -1.26 -0.93 119.30 117.88 1rxs s MET 3215Ca 0.15 0.13 0.04 0.00 -1.25 0.00 0.00 55.69 54.76 1rxs s MET 3215Cb 0.04 -0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.65 1rxs s MET 3215CO -0.02 -0.05 -0.11 0.54 -0.65 0.00 0.00 175.02 174.72 1rxs s VAL 3216N 0.34 0.86 -0.01 10.11 0.11 -0.55 -1.78 120.40 129.47 1rxs s VAL 3216Ca -0.03 -0.90 -0.14 0.00 -2.93 0.00 0.00 61.98 57.99 1rxs s VAL 3216Cb -0.04 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1rxs s VAL 3216CO -0.01 -0.07 0.30 0.00 -3.33 0.00 0.00 175.10 171.98 1rxs s ALA 3217N -0.86 -0.75 0.02 1.54 0.00 -0.11 -1.67 121.76 119.92 1rxs s ALA 3217Ca -0.01 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.10 1rxs s ALA 3217Cb -0.07 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 1rxs s ALA 3217CO 0.01 -0.25 0.43 0.20 0.00 0.00 0.00 175.76 176.14 1rxs s GLY 3218N -1.30 2.49 -0.20 0.00 0.00 -0.64 0.11 107.32 107.77 1rxs s GLY 3218Ca -0.13 -0.20 -0.28 0.00 0.00 0.00 0.00 44.72 44.10 1rxs s GLY 3218CO 0.04 0.15 0.98 0.14 0.00 0.00 0.00 173.10 174.41 1rxs s VAL 3219N -1.13 4.75 -0.30 1.40 1.01 0.10 -1.02 120.40 125.20 1rxs s VAL 3219Ca 0.26 1.91 0.10 0.00 0.00 0.00 0.00 61.98 64.25 1rxs s VAL 3219Cb -0.17 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 1rxs s VAL 3219CO 0.15 -0.11 0.35 2.30 0.00 0.00 0.00 175.10 177.79 1rxs n ILE 3220N 5.10 0.00 -3.65 2.22 -5.35 -0.12 -0.87 119.36 116.71 1rxs n ILE 3220Ca 0.10 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.19 1rxs n ILE 3220Cb 0.47 0.72 -0.06 0.00 -1.74 0.00 0.00 39.64 39.03 1rxs n ILE 3220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxs s VAL 3221N -2.25 0.05 -0.19 7.28 0.11 -1.23 -4.68 120.40 119.50 1rxs s VAL 3221Ca 0.01 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1rxs s VAL 3221Cb 0.07 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 34.02 1rxs s VAL 3221CO 0.42 -0.23 -0.04 0.21 -3.33 0.00 0.00 175.10 172.14 1rxs s ASN 3222N -2.00 3.10 0.57 3.54 3.84 -1.26 -1.56 114.94 121.18 1rxs s ASN 3222Ca -0.05 -0.82 0.28 0.00 0.21 0.00 0.00 52.86 52.48 1rxs s ASN 3222Cb -0.01 -0.92 1.72 0.00 -0.55 0.00 0.00 41.25 41.49 1rxs s ASN 3222CO -0.02 -0.22 2.22 0.03 -2.79 0.00 0.00 177.10 176.32 1rxs h ARG 3223N 8.10 0.00 0.09 0.43 2.47 -1.74 -2.91 114.38 120.82 1rxs h ARG 3223Ca -0.21 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.26 1rxs h ARG 3223Cb 1.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1rxs h ARG 3223CO 0.39 0.02 -1.16 1.79 0.56 0.00 0.00 179.97 181.57 1rxs h THR 3224N 0.00 1.56 -3.08 2.04 1.35 -1.86 -3.45 112.91 109.48 1rxs h THR 3224Ca -0.00 -3.13 -0.46 0.00 -0.55 0.00 0.00 66.41 62.27 1rxs h THR 3224Cb 0.05 2.90 0.10 0.00 -1.73 0.00 0.00 68.15 69.47 1rxs h THR 3224CO 0.00 0.91 0.20 -1.10 -0.25 0.00 0.00 175.52 175.28 1rxs s GLN 3225N -2.70 1.67 0.00 4.72 -0.21 -1.10 -5.08 119.66 116.96 1rxs s GLN 3225Ca -0.03 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.68 1rxs s GLN 3225Cb 0.08 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.90 1rxs s GLN 3225CO 0.87 -1.54 0.00 0.94 -2.12 0.00 0.00 175.29 173.44 1rxs n GLN 3226N -3.03 0.00 -3.05 2.91 7.27 -1.26 -4.89 117.38 115.33 1rxs n GLN 3226Ca 0.12 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 57.05 1rxs n GLN 3226Cb 0.60 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.27 1rxs n GLN 3226CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1rxs n GLU 3227N 0.00 -2.14 -2.13 3.69 1.02 -1.26 -4.78 120.64 115.03 1rxs n GLU 3227Ca 0.00 1.85 -0.43 0.00 -0.02 0.00 0.00 57.16 58.56 1rxs n GLU 3227Cb 0.00 -4.78 -0.02 0.00 -0.02 0.00 0.00 31.44 26.62 1rxs n GLU 3227CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1rxs s ILE 3228N -2.42 3.69 0.00 -3.67 -1.16 -1.26 -4.79 121.20 111.60 1rxs s ILE 3228Ca 0.24 0.76 0.00 0.00 -0.51 0.00 0.00 60.65 61.14 1rxs s ILE 3228Cb -0.05 -3.79 0.00 0.00 0.61 0.00 0.00 42.46 39.23 1rxs s ILE 3228CO 0.80 -0.40 0.00 -0.81 -2.81 0.00 0.00 174.94 171.72 1rxs n PRO 3229N 7.89 0.00 -3.53 3.50 -0.04 -1.26 -5.04 135.00 136.53 1rxs n PRO 3229Ca 0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 1rxs n PRO 3229Cb 0.46 -0.19 -0.04 0.00 -0.04 0.00 0.00 33.50 33.69 1rxs n PRO 3229CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1rxs s ASN 3230N -2.14 -0.47 0.33 3.54 2.47 -1.26 -5.03 114.94 112.39 1rxs s ASN 3230Ca 0.00 0.35 0.02 0.00 0.42 0.00 0.00 52.86 53.65 1rxs s ASN 3230Cb 0.00 0.42 0.58 0.00 -1.45 0.00 0.00 41.25 40.80 1rxs s ASN 3230CO 0.00 -0.55 1.95 0.00 -3.72 0.00 0.00 177.10 174.78 1rxs h ALA 3231N 2.49 1.45 0.12 1.71 0.00 -1.99 -2.43 119.26 120.61 1rxs h ALA 3231Ca -0.23 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.27 1rxs h ALA 3231Cb 1.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rxs h ALA 3231CO 0.34 0.45 -1.53 1.49 0.00 0.00 0.00 179.25 180.00 1rxs h GLU 3232N 0.79 0.25 -0.07 0.00 4.22 -1.99 -2.65 114.58 115.13 1rxs h GLU 3232Ca 0.20 -0.43 -0.12 0.00 0.08 0.00 0.00 59.36 59.09 1rxs h GLU 3232Cb 0.05 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1rxs h GLU 3232CO -0.03 1.12 -0.48 1.15 -2.18 0.00 0.00 179.01 178.59 1rxs h THR 3233N 0.07 1.34 -0.29 0.32 2.02 -1.96 -2.70 112.91 111.71 1rxs h THR 3233Ca -0.24 -1.68 -0.11 0.00 0.77 0.00 0.00 66.41 65.15 1rxs h THR 3233Cb 2.02 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 70.24 1rxs h THR 3233CO 0.16 0.49 -0.28 0.24 0.37 0.00 0.00 175.52 176.51 1rxs h MET 3234N 0.14 0.59 -0.14 6.66 2.86 -1.49 -2.07 114.93 121.47 1rxs h MET 3234Ca 0.01 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.28 1rxs h MET 3234Cb 0.90 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1rxs h MET 3234CO 0.07 0.81 -0.44 -0.22 1.06 0.00 0.00 176.91 178.19 1rxs h LYS 3235N 0.51 0.34 0.13 1.72 3.11 -1.31 -2.90 116.57 118.16 1rxs h LYS 3235Ca 0.07 -0.17 -0.32 0.00 -2.81 0.00 0.00 60.65 57.42 1rxs h LYS 3235Cb 0.74 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.97 1rxs h LYS 3235CO 0.06 0.72 -1.59 0.37 -2.81 0.00 0.00 179.45 176.19 1rxs h GLN 3236N 0.28 0.27 -0.71 1.90 4.15 -1.41 -2.91 115.11 116.68 1rxs h GLN 3236Ca 0.02 -0.46 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 1rxs h GLN 3236Cb 0.88 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 1rxs h GLN 3236CO 0.07 1.13 0.29 1.15 -1.93 0.00 0.00 178.83 179.54 1rxs h THR 3237N 0.07 1.24 -0.35 2.39 2.02 -1.47 -2.38 112.91 114.44 1rxs h THR 3237Ca -0.27 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1rxs h THR 3237Cb 2.03 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1rxs h THR 3237CO 0.16 0.30 0.16 -0.08 0.37 0.00 0.00 175.52 176.44 1rxs h GLU 3238N 1.02 0.50 -0.51 6.66 4.81 -1.56 -2.35 114.58 123.16 1rxs h GLU 3238Ca 0.24 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1rxs h GLU 3238Cb 0.19 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1rxs h GLU 3238CO -0.02 0.46 0.23 0.77 -0.73 0.00 0.00 179.01 179.71 1rxs h SER 3239N 0.42 0.64 0.20 1.04 0.02 -1.43 -1.72 113.55 112.72 1rxs h SER 3239Ca 0.12 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1rxs h SER 3239Cb 0.12 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1rxs h SER 3239CO -0.01 0.56 -0.18 -0.74 -1.14 0.00 0.00 176.83 175.31 1rxs h HIS 3240N 0.71 -0.48 -0.48 3.45 6.17 -1.14 -1.13 115.15 122.26 1rxs h HIS 3240Ca 0.18 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.16 1rxs h HIS 3240Cb 0.10 0.18 -0.02 0.00 2.52 0.00 0.00 27.41 30.20 1rxs h HIS 3240CO 0.01 -0.28 -0.09 0.00 0.71 0.00 0.00 177.93 178.28 1rxs h ALA 3241N 0.35 0.94 -0.30 5.26 0.00 -1.27 -1.75 119.26 122.49 1rxs h ALA 3241Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1rxs h ALA 3241Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rxs h ALA 3241CO -0.03 0.62 0.17 0.28 0.00 0.00 0.00 179.25 180.29 1rxs h VAL 3242N 0.78 1.11 -0.72 0.00 2.07 -1.23 -0.14 116.25 118.11 1rxs h VAL 3242Ca 0.13 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1rxs h VAL 3242Cb 0.60 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 1rxs h VAL 3242CO 0.04 0.11 0.31 0.50 0.02 0.00 0.00 177.57 178.55 1rxs h LYS 3243N 0.37 0.48 0.04 1.57 3.64 -0.91 -1.49 116.57 120.28 1rxs h LYS 3243Ca 0.11 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1rxs h LYS 3243Cb 0.03 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1rxs h LYS 3243CO -0.02 0.32 -0.02 0.82 -2.27 0.00 0.00 179.45 178.28 1rxs h ILE 3244N 0.50 1.11 -0.88 2.00 2.04 -0.37 -1.70 117.51 120.20 1rxs h ILE 3244Ca 0.38 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.83 1rxs h ILE 3244Cb 0.51 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1rxs h ILE 3244CO -0.35 0.12 0.57 1.62 0.00 0.00 0.00 178.15 180.12 1rxs h VAL 3245N -0.26 1.05 -0.14 1.67 3.04 -0.68 0.11 116.25 121.04 1rxs h VAL 3245Ca -0.01 -0.34 -0.05 0.00 -1.01 0.00 0.00 66.70 65.30 1rxs h VAL 3245Cb 0.24 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 29.50 1rxs h VAL 3245CO 0.01 0.18 -0.10 0.58 -1.01 0.00 0.00 177.57 177.23 1rxs h VAL 3246N 0.99 1.33 -1.00 1.51 2.07 -1.19 0.08 116.25 120.04 1rxs h VAL 3246Ca 0.38 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1rxs h VAL 3246Cb 0.22 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 1rxs h VAL 3246CO -0.14 0.35 0.65 -0.08 0.02 0.00 0.00 177.57 178.36 1rxs h GLU 3247N -0.04 1.20 -0.68 1.57 4.57 -0.91 -1.31 114.58 118.98 1rxs h GLU 3247Ca 0.03 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1rxs h GLU 3247Cb 0.59 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1rxs h GLU 3247CO 0.03 0.80 0.17 0.00 -1.18 0.00 0.00 179.01 178.82 1rxs h ALA 3248N 1.42 1.00 -0.94 2.92 0.00 -0.58 -2.10 119.26 120.98 1rxs h ALA 3248Ca 0.41 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1rxs h ALA 3248Cb 0.05 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1rxs h ALA 3248CO -0.14 0.65 0.62 0.00 0.00 0.00 0.00 179.25 180.38 1rxs h ALA 3249N 1.14 1.41 -0.60 0.00 0.00 0.11 -1.76 119.26 119.57 1rxs h ALA 3249Ca 0.22 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1rxs h ALA 3249Cb 0.36 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1rxs h ALA 3249CO 0.00 0.48 0.24 0.00 0.00 0.00 0.00 179.25 179.98 1rxs h ARG 3250N 1.16 0.42 0.00 0.00 2.47 -0.64 -1.22 114.38 116.58 1rxs h ARG 3250Ca 0.38 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 1rxs h ARG 3250Cb 0.05 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1rxs h ARG 3250CO -0.12 0.28 0.00 0.00 0.56 0.00 0.00 179.97 180.69 1rxs h ARG 3251N 0.44 0.00 -0.23 0.04 3.08 -1.15 -3.10 114.38 113.45 1rxs h ARG 3251Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1rxs h ARG 3251Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1rxs h ARG 3251CO -0.28 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.90 1rxs n LEU 3252N -2.41 3.06 0.00 3.04 4.77 -0.48 -5.05 117.00 119.92 1rxs n LEU 3252Ca 0.03 -1.33 0.13 0.00 -0.03 0.00 0.00 56.01 54.80 1rxs n LEU 3252Cb 0.30 -0.14 0.75 0.00 -2.33 0.00 0.00 43.42 42.00 1rxs n LEU 3252CO 0.24 0.62 0.93 0.18 -1.33 0.00 0.00 177.39 178.03