#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp0 h VAL 3006N 0.00 1.30 -4.15 2.41 2.07 -1.94 -2.81 116.25 113.12 1pp0 h VAL 3006Ca 0.00 -1.43 -0.55 0.00 0.82 0.00 0.00 66.70 65.54 1pp0 h VAL 3006Cb 0.00 1.66 -0.26 0.00 -1.52 0.00 0.00 31.29 31.17 1pp0 h VAL 3006CO 0.00 0.42 -0.83 -0.36 0.02 0.00 0.00 177.57 176.82 1pp0 s PHE 3007N -4.19 1.69 -0.31 1.57 0.08 -1.26 -4.05 117.98 111.52 1pp0 s PHE 3007Ca -0.04 -0.37 -0.27 0.00 0.12 0.00 0.00 56.93 56.37 1pp0 s PHE 3007Cb 0.14 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1pp0 s PHE 3007CO 0.76 0.07 0.99 -1.14 -0.10 0.00 0.00 175.22 175.80 1pp0 s GLN 3008N -1.13 4.06 0.08 0.44 0.74 0.07 -4.82 119.66 119.10 1pp0 s GLN 3008Ca 0.06 0.97 -0.30 0.00 0.05 0.00 0.00 55.36 56.14 1pp0 s GLN 3008Cb -0.09 -3.72 -0.05 0.00 1.10 0.00 0.00 33.01 30.25 1pp0 s GLN 3008CO 0.02 -0.81 1.08 -2.14 -0.55 0.00 0.00 175.29 172.89 1pp0 s PRO 3009N 3.41 4.54 -0.26 1.67 0.02 -1.26 -1.08 135.00 142.04 1pp0 s PRO 3009Ca 0.42 1.62 -0.02 0.00 0.02 0.00 0.00 61.00 63.03 1pp0 s PRO 3009Cb -0.13 -3.36 0.08 0.00 0.02 0.00 0.00 34.50 31.11 1pp0 s PRO 3009CO 0.14 -0.06 0.07 0.08 -0.33 0.00 0.00 177.00 176.90 1pp0 s VAL 3010N 0.59 0.64 0.11 3.83 1.01 -0.28 -4.94 120.40 121.36 1pp0 s VAL 3010Ca 0.53 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 1pp0 s VAL 3010Cb -0.26 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.83 1pp0 s VAL 3010CO 0.30 -0.46 0.40 1.51 0.00 0.00 0.00 175.10 176.86 1pp0 s ASP 3011N 1.77 -0.25 -0.32 3.32 -4.77 -1.26 -1.36 116.67 113.80 1pp0 s ASP 3011Ca 0.04 -0.24 0.13 0.00 -3.30 0.00 0.00 52.55 49.18 1pp0 s ASP 3011Cb -0.17 0.46 0.47 0.00 -1.09 0.00 0.00 42.92 42.59 1pp0 s ASP 3011CO -0.18 -0.81 1.12 0.00 0.70 0.00 0.00 175.17 175.99 1pp0 n GLN 3012N -0.05 2.69 -2.91 2.11 10.64 -1.21 -5.00 117.38 123.65 1pp0 n GLN 3012Ca -0.17 -3.92 -0.36 0.00 -1.83 0.00 0.00 57.00 50.72 1pp0 n GLN 3012Cb 0.63 -1.93 -0.06 0.00 -0.86 0.00 0.00 30.24 28.01 1pp0 n GLN 3012CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1pp0 s LEU 3013N -3.57 4.29 0.62 2.61 1.43 -1.26 -4.73 118.68 118.07 1pp0 s LEU 3013Ca 0.40 1.66 -0.19 0.00 -1.03 0.00 0.00 54.13 54.97 1pp0 s LEU 3013Cb 0.39 -3.92 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 1pp0 s LEU 3013CO -0.03 -0.07 1.27 -2.84 0.23 0.00 0.00 176.35 174.92 1pp0 s PRO 3014N -2.17 2.74 0.30 1.29 0.02 -1.26 -4.80 135.00 131.12 1pp0 s PRO 3014Ca 0.49 2.01 0.13 0.00 0.02 0.00 0.00 61.00 63.65 1pp0 s PRO 3014Cb -0.17 -1.91 0.71 0.00 0.02 0.00 0.00 34.50 33.15 1pp0 s PRO 3014CO 0.22 -1.43 1.30 -0.85 -0.33 0.00 0.00 177.00 175.90 1pp0 n GLU 3015N -1.71 0.09 0.06 5.54 0.28 -1.26 -0.65 120.64 122.99 1pp0 n GLU 3015Ca 0.15 0.56 0.12 0.00 -0.16 0.00 0.00 57.16 57.83 1pp0 n GLU 3015Cb 0.48 -2.04 0.25 0.00 1.43 0.00 0.00 31.44 31.56 1pp0 n GLU 3015CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pp0 n ASP 3016N -2.01 0.66 -0.42 -1.84 5.75 -1.26 -3.78 116.55 113.64 1pp0 n ASP 3016Ca -0.01 0.18 0.07 0.00 -0.01 0.00 0.00 54.79 55.02 1pp0 n ASP 3016Cb 0.27 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 40.35 1pp0 n ASP 3016CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pp0 n LEU 3017N -2.03 1.75 -0.17 -2.12 4.77 0.18 -4.61 117.00 114.78 1pp0 n LEU 3017Ca 0.04 -0.85 -0.08 0.00 -0.03 0.00 0.00 56.01 55.10 1pp0 n LEU 3017Cb 0.42 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1pp0 n LEU 3017CO 0.35 0.33 1.03 0.40 -1.33 0.00 0.00 177.39 178.17 1pp0 h ILE 3018N 2.04 1.16 -0.99 -0.08 1.08 -1.63 -2.19 117.51 116.90 1pp0 h ILE 3018Ca 0.00 -0.39 0.07 0.00 -0.39 0.00 0.00 64.86 64.15 1pp0 h ILE 3018Cb 0.53 0.54 -0.07 0.00 -3.07 0.00 0.00 36.82 34.75 1pp0 h ILE 3018CO 0.00 0.17 0.64 -0.65 -0.69 0.00 0.00 178.15 177.62 1pp0 h PRO 3019N 0.65 1.11 -0.56 2.37 0.11 -1.82 -1.12 132.00 132.74 1pp0 h PRO 3019Ca 0.17 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1pp0 h PRO 3019Cb 0.02 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 1pp0 h PRO 3019CO -0.03 0.74 -0.04 0.77 -0.21 0.00 0.00 178.00 179.23 1pp0 h SER 3020N 1.15 1.00 0.28 -2.05 0.02 -1.76 -2.06 113.55 110.13 1pp0 h SER 3020Ca 0.43 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1pp0 h SER 3020Cb 0.20 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1pp0 h SER 3020CO -0.18 1.09 -0.30 0.77 -1.14 0.00 0.00 176.83 177.07 1pp0 h SER 3021N 0.89 0.04 -0.16 3.07 4.64 -0.76 -1.08 113.55 120.19 1pp0 h SER 3021Ca 0.15 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.35 1pp0 h SER 3021Cb 0.60 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1pp0 h SER 3021CO 0.04 0.34 -0.29 0.40 -0.87 0.00 0.00 176.83 176.45 1pp0 h ILE 3022N 0.04 1.28 -0.18 0.95 1.08 -0.85 -1.71 117.51 118.11 1pp0 h ILE 3022Ca 0.00 -1.39 -0.09 0.00 -0.39 0.00 0.00 64.86 62.99 1pp0 h ILE 3022Cb 0.55 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 1pp0 h ILE 3022CO 0.04 0.45 -0.30 1.56 -0.69 0.00 0.00 178.15 179.22 1pp0 h GLN 3023N 0.55 0.36 -0.45 2.37 1.08 -0.57 -0.14 115.11 118.31 1pp0 h GLN 3023Ca 0.07 -0.14 -0.10 0.00 -1.45 0.00 0.00 58.65 57.03 1pp0 h GLN 3023Cb 0.77 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1pp0 h GLN 3023CO 0.06 0.62 -0.11 0.28 -0.95 0.00 0.00 178.83 178.74 1pp0 h VAL 3024N 0.31 1.26 -0.43 -0.54 2.07 -0.73 0.41 116.25 118.60 1pp0 h VAL 3024Ca 0.04 -1.18 -0.15 0.00 0.82 0.00 0.00 66.70 66.23 1pp0 h VAL 3024Cb 0.68 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1pp0 h VAL 3024CO 0.05 0.41 -0.31 0.25 0.02 0.00 0.00 177.57 177.99 1pp0 h LEU 3025N 0.74 1.02 -0.59 2.57 7.12 -0.83 -0.72 115.31 124.61 1pp0 h LEU 3025Ca 0.12 -0.43 -0.04 0.00 0.13 0.00 0.00 57.88 57.66 1pp0 h LEU 3025Cb 0.60 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.42 1pp0 h LEU 3025CO 0.04 1.23 0.21 0.50 -0.13 0.00 0.00 178.44 180.29 1pp0 h LYS 3026N 0.81 0.91 0.16 1.25 3.64 -0.75 -0.44 116.57 122.15 1pp0 h LYS 3026Ca 0.08 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1pp0 h LYS 3026Cb 0.90 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1pp0 h LYS 3026CO 0.08 0.79 -0.07 0.35 -2.27 0.00 0.00 179.45 178.33 1pp0 h PHE 3027N 0.83 -0.19 -0.77 1.91 3.57 -0.72 -2.82 116.94 118.75 1pp0 h PHE 3027Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1pp0 h PHE 3027Cb 0.25 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1pp0 h PHE 3027CO 0.01 -0.10 0.48 0.77 -2.23 0.00 0.00 178.31 177.25 1pp0 h SER 3028N -0.23 0.90 0.19 0.41 0.02 -0.98 -2.66 113.55 111.19 1pp0 h SER 3028Ca -0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1pp0 h SER 3028Cb 0.18 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1pp0 h SER 3028CO 0.04 0.67 -0.02 1.23 -1.14 0.00 0.00 176.83 177.60 1pp0 h GLY 3029N 1.06 0.00 1.42 -3.77 0.00 -0.82 -1.89 103.07 99.06 1pp0 h GLY 3029Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1pp0 h GLY 3029CO -0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.76 1pp0 n LYS 3030N -3.39 0.40 -0.64 4.80 5.02 -1.00 -2.88 118.16 120.47 1pp0 n LYS 3030Ca -0.02 0.06 0.01 0.00 -2.02 0.00 0.00 58.31 56.34 1pp0 n LYS 3030Cb 0.13 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.85 1pp0 n LYS 3030CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1pp0 n TYR 3031N -1.21 0.90 -3.27 2.13 4.01 -0.71 -4.94 117.16 114.07 1pp0 n TYR 3031Ca 0.12 -1.35 -0.39 0.00 -0.16 0.00 0.00 57.90 56.11 1pp0 n TYR 3031Cb 0.14 -0.40 -0.07 0.00 -0.31 0.00 0.00 39.34 38.70 1pp0 n TYR 3031CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1pp0 s LEU 3032N -3.10 4.10 -0.26 7.72 2.96 -1.14 0.30 118.68 129.26 1pp0 s LEU 3032Ca 0.43 0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 54.79 1pp0 s LEU 3032Cb 0.38 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1pp0 s LEU 3032CO 0.02 -0.21 0.18 -0.75 -1.32 0.00 0.00 176.35 174.27 1pp0 s LYS 3033N 1.88 3.99 -0.19 1.98 2.20 0.69 -4.91 119.74 125.37 1pp0 s LYS 3033Ca 0.21 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.46 1pp0 s LYS 3033Cb -0.15 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1pp0 s LYS 3033CO 0.09 -0.09 0.02 -1.17 -0.36 0.00 0.00 175.35 173.84 1pp0 s LEU 3034N 1.49 3.44 -0.24 5.43 2.96 -1.26 -1.22 118.68 129.28 1pp0 s LEU 3034Ca 0.07 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.69 1pp0 s LEU 3034Cb -0.15 -1.87 0.07 0.00 0.50 0.00 0.00 46.19 44.74 1pp0 s LEU 3034CO 0.08 0.10 0.62 -0.70 -1.32 0.00 0.00 176.35 175.13 1pp0 s GLU 3035N 0.79 0.68 -1.47 1.98 2.12 -0.56 -4.90 118.70 117.33 1pp0 s GLU 3035Ca 0.01 0.96 -0.08 0.00 0.36 0.00 0.00 54.97 56.22 1pp0 s GLU 3035Cb -0.14 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.53 1pp0 s GLU 3035CO 0.02 -0.11 0.76 1.04 -0.54 0.00 0.00 175.26 176.43 1pp0 n GLN 3036N 3.37 -5.38 -1.64 4.30 6.02 -1.26 -1.49 117.38 121.30 1pp0 n GLN 3036Ca -0.17 0.78 -0.18 0.00 -0.01 0.00 0.00 57.00 57.42 1pp0 n GLN 3036Cb 0.57 -5.66 -0.07 0.00 1.02 0.00 0.00 30.24 26.10 1pp0 n GLN 3036CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1pp0 n ASP 3037N -2.63 -5.17 -4.12 1.08 8.00 -1.26 -4.99 116.55 107.45 1pp0 n ASP 3037Ca -0.05 0.38 -0.25 0.00 0.71 0.00 0.00 54.79 55.58 1pp0 n ASP 3037Cb 0.58 -4.25 -0.16 0.00 -0.02 0.00 0.00 41.12 37.27 1pp0 n ASP 3037CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1pp0 s LYS 3038N -3.72 1.66 -0.19 -1.24 1.02 -0.56 -5.11 119.74 111.60 1pp0 s LYS 3038Ca 0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.37 1pp0 s LYS 3038Cb 0.00 -1.47 -0.02 0.00 -0.52 0.00 0.00 37.83 35.83 1pp0 s LYS 3038CO 0.00 0.24 -0.04 0.00 -0.92 0.00 0.00 175.35 174.64 1pp0 s ALA 3039N 0.01 2.90 0.05 5.17 0.00 -1.26 -1.50 121.76 127.13 1pp0 s ALA 3039Ca -0.03 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1pp0 s ALA 3039Cb -0.11 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1pp0 s ALA 3039CO 0.02 -0.14 -0.11 0.71 0.00 0.00 0.00 175.76 176.23 1pp0 s TYR 3040N 0.99 0.97 0.32 0.00 2.02 -0.35 -4.72 117.35 116.58 1pp0 s TYR 3040Ca 0.01 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 55.97 1pp0 s TYR 3040Cb -0.15 -0.56 -0.10 0.00 -0.40 0.00 0.00 41.96 40.76 1pp0 s TYR 3040CO 0.01 -0.00 1.21 0.12 -1.57 0.00 0.00 175.55 175.31 1pp0 s PHE 3041N -1.24 3.26 -0.93 2.71 5.36 -1.26 -0.22 117.98 125.66 1pp0 s PHE 3041Ca -0.05 1.55 -0.12 0.00 -0.96 0.00 0.00 56.93 57.34 1pp0 s PHE 3041Cb -0.10 -3.49 0.24 0.00 -0.34 0.00 0.00 43.02 39.33 1pp0 s PHE 3041CO 0.01 -1.27 0.89 0.34 -1.46 0.00 0.00 175.22 173.73 1pp0 s ASP 3042N -0.72 6.95 0.13 6.13 2.15 0.15 -4.83 116.67 126.63 1pp0 s ASP 3042Ca 0.48 -3.02 -0.18 0.00 0.43 0.00 0.00 52.55 50.27 1pp0 s ASP 3042Cb -0.36 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.03 1pp0 s ASP 3042CO 0.47 -0.47 1.74 -0.50 -0.17 0.00 0.00 175.17 176.23 1pp0 h TRP 3043N 7.38 0.44 -0.43 -5.34 4.06 -1.93 -0.93 115.95 119.20 1pp0 h TRP 3043Ca 0.13 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.12 1pp0 h TRP 3043Cb 0.98 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.96 1pp0 h TRP 3043CO 0.94 0.35 0.19 -1.35 -3.56 0.00 0.00 178.44 175.00 1pp0 h PRO 3044N 0.40 0.37 -0.83 0.49 0.11 -1.98 0.77 132.00 131.32 1pp0 h PRO 3044Ca 0.11 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 1pp0 h PRO 3044Cb 0.05 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.04 1pp0 h PRO 3044CO -0.02 0.24 0.38 0.78 -0.21 0.00 0.00 178.00 179.17 1pp0 h GLY 3045N 0.38 1.30 0.98 -0.55 0.00 -1.93 -1.75 103.07 101.50 1pp0 h GLY 3045Ca 0.19 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1pp0 h GLY 3045CO -0.16 0.63 -0.24 -2.75 0.00 0.00 0.00 176.54 174.02 1pp0 h PHE 3046N 1.19 0.86 -0.79 5.60 3.57 -0.63 -1.69 116.94 125.05 1pp0 h PHE 3046Ca 0.28 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1pp0 h PHE 3046Cb 0.15 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1pp0 h PHE 3046CO 0.02 0.98 0.43 0.87 -2.23 0.00 0.00 178.31 178.38 1pp0 h LYS 3047N 0.49 1.11 -0.37 1.11 1.57 -0.69 -1.04 116.57 118.75 1pp0 h LYS 3047Ca 0.06 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1pp0 h LYS 3047Cb 0.80 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1pp0 h LYS 3047CO 0.06 0.82 0.10 1.15 -0.57 0.00 0.00 179.45 181.01 1pp0 h THR 3048N 1.10 1.22 -0.78 -0.16 2.02 -1.28 0.31 112.91 115.35 1pp0 h THR 3048Ca 0.28 -0.74 0.08 0.00 0.77 0.00 0.00 66.41 66.79 1pp0 h THR 3048Cb 0.04 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 1pp0 h THR 3048CO -0.04 0.25 0.45 0.00 0.37 0.00 0.00 175.52 176.55 1pp0 h ALA 3049N 0.94 1.08 -0.38 6.16 0.00 -0.83 0.19 119.26 126.41 1pp0 h ALA 3049Ca 0.12 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1pp0 h ALA 3049Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1pp0 h ALA 3049CO -0.00 0.11 -0.34 0.82 0.00 0.00 0.00 179.25 179.84 1pp0 h ILE 3050N 0.79 1.28 -0.75 0.00 2.04 -0.87 -2.10 117.51 117.90 1pp0 h ILE 3050Ca 0.36 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 1pp0 h ILE 3050Cb 0.27 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1pp0 h ILE 3050CO -0.21 0.50 0.25 0.44 0.00 0.00 0.00 178.15 179.13 1pp0 h ASP 3051N 0.72 1.07 -0.70 1.72 3.32 0.23 -2.77 116.42 120.01 1pp0 h ASP 3051Ca 0.07 -0.19 -0.23 0.00 0.02 0.00 0.00 57.03 56.70 1pp0 h ASP 3051Cb 0.91 -0.28 -0.14 0.00 0.22 0.00 0.00 39.33 40.04 1pp0 h ASP 3051CO 0.08 0.98 0.29 0.59 -1.72 0.00 0.00 179.24 179.46 1pp0 n ASN 3052N -4.26 4.49 -4.65 6.45 3.02 0.54 -4.93 115.26 115.91 1pp0 n ASN 3052Ca 0.06 -3.13 -0.43 0.00 -0.03 0.00 0.00 54.58 51.05 1pp0 n ASN 3052Cb 0.22 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 1pp0 n ASN 3052CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1pp0 s TYR 3053N -2.76 3.28 -0.66 3.10 5.04 -0.80 -4.94 117.35 119.61 1pp0 s TYR 3053Ca 0.50 1.37 0.02 0.00 -2.44 0.00 0.00 57.07 56.51 1pp0 s TYR 3053Cb 0.40 -3.38 0.38 0.00 0.35 0.00 0.00 41.96 39.71 1pp0 s TYR 3053CO 0.12 -0.56 1.51 0.25 -1.34 0.00 0.00 175.55 175.53 1pp0 n THR 3054N 5.47 3.24 -1.08 4.34 -2.24 -1.26 -4.99 114.28 117.76 1pp0 n THR 3054Ca 0.12 -4.85 0.00 0.00 -2.27 0.00 0.00 64.05 57.04 1pp0 n THR 3054Cb 0.46 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1pp0 n THR 3054CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pp0 n GLY 3055N -0.44 2.78 0.00 3.38 0.00 -1.26 -5.09 105.19 104.56 1pp0 n GLY 3055Ca 0.45 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1pp0 n GLY 3055CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pp0 n GLU 3056N 0.00 2.08 -0.49 1.61 0.00 -1.26 -4.89 120.64 117.69 1pp0 n GLU 3056Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.24 1pp0 n GLU 3056Cb 0.00 -0.17 0.29 0.00 0.00 0.00 0.00 31.44 31.56 1pp0 n GLU 3056CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pp0 n ASP 3057N 0.00 4.20 -3.81 -1.84 8.00 -1.26 -4.94 116.55 116.90 1pp0 n ASP 3057Ca 0.00 -2.56 -0.14 0.00 0.71 0.00 0.00 54.79 52.80 1pp0 n ASP 3057Cb 0.00 -0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 40.45 1pp0 n ASP 3057CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1pp0 s LEU 3058N -2.03 1.44 -0.01 0.64 2.96 -1.26 -1.20 118.68 119.22 1pp0 s LEU 3058Ca 0.43 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1pp0 s LEU 3058Cb 0.30 -0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.96 1pp0 s LEU 3058CO 0.17 -0.08 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.56 1pp0 s SER 3059N 0.64 0.27 -0.05 3.68 0.15 -0.28 -4.90 113.70 113.22 1pp0 s SER 3059Ca -0.05 -0.03 -0.26 0.00 0.70 0.00 0.00 55.95 56.31 1pp0 s SER 3059Cb -0.08 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.14 1pp0 s SER 3059CO -0.02 -0.00 0.80 0.12 1.20 0.00 0.00 173.24 175.34 1pp0 s PHE 3060N 0.17 3.60 -0.01 3.44 5.36 -1.26 -0.54 117.98 128.73 1pp0 s PHE 3060Ca -0.01 1.40 -0.01 0.00 -0.96 0.00 0.00 56.93 57.34 1pp0 s PHE 3060Cb -0.03 -2.92 -0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1pp0 s PHE 3060CO -0.00 0.04 -0.03 -3.47 -1.46 0.00 0.00 175.22 170.30 1pp0 n ASP 3061N 3.88 0.16 -3.47 6.13 4.64 -0.44 -4.92 116.55 122.52 1pp0 n ASP 3061Ca 0.01 0.03 -0.11 0.00 -1.38 0.00 0.00 54.79 53.35 1pp0 n ASP 3061Cb 0.51 -0.51 -0.02 0.00 -1.04 0.00 0.00 41.12 40.06 1pp0 n ASP 3061CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 1pp0 s LYS 3062N -1.16 1.15 -0.08 -0.67 -2.85 -1.18 -5.01 119.74 109.94 1pp0 s LYS 3062Ca -0.02 -0.44 0.02 0.00 -1.00 0.00 0.00 55.97 54.53 1pp0 s LYS 3062Cb 0.00 0.52 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1pp0 s LYS 3062CO 0.03 -0.50 -0.11 -0.47 0.10 0.00 0.00 175.35 174.40 1pp0 s TYR 3063N -3.54 1.51 0.08 1.78 5.04 -1.26 -0.24 117.35 120.72 1pp0 s TYR 3063Ca 0.03 -0.62 0.08 0.00 -2.44 0.00 0.00 57.07 54.11 1pp0 s TYR 3063Cb -0.01 -1.14 -0.03 0.00 0.35 0.00 0.00 41.96 41.13 1pp0 s TYR 3063CO -0.11 -0.35 -0.21 -0.51 -1.34 0.00 0.00 175.55 173.03 1pp0 s ASP 3064N 0.94 2.55 0.01 4.32 1.11 -0.17 -5.00 116.67 120.42 1pp0 s ASP 3064Ca -0.09 -0.62 -0.07 0.00 0.18 0.00 0.00 52.55 51.95 1pp0 s ASP 3064Cb -0.15 -0.17 -0.00 0.00 1.07 0.00 0.00 42.92 43.67 1pp0 s ASP 3064CO 0.00 0.10 0.12 0.00 1.18 0.00 0.00 175.17 176.58 1pp0 s GLN 3065N -1.63 0.50 -0.07 8.23 -2.07 -1.26 -1.15 119.66 122.21 1pp0 s GLN 3065Ca 0.07 -0.48 -0.03 0.00 -1.82 0.00 0.00 55.36 53.10 1pp0 s GLN 3065Cb -0.10 0.20 0.04 0.00 -1.09 0.00 0.00 33.01 32.06 1pp0 s GLN 3065CO 0.03 -0.12 0.16 0.45 -1.32 0.00 0.00 175.29 174.49 1pp0 s SER 3066N -1.54 -0.13 -0.21 12.60 0.15 -0.08 -4.98 113.70 119.51 1pp0 s SER 3066Ca -0.13 0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.85 1pp0 s SER 3066Cb -0.07 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.49 1pp0 s SER 3066CO 0.00 -0.14 -0.16 -0.89 1.20 0.00 0.00 173.24 173.25 1pp0 s THR 3067N 1.09 2.25 -0.17 6.45 2.01 -1.26 -0.28 115.64 125.73 1pp0 s THR 3067Ca -0.08 -1.08 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 1pp0 s THR 3067Cb -0.11 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1pp0 s THR 3067CO -0.06 0.37 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.51 1pp0 s ILE 3068N 1.26 3.11 0.71 1.82 1.01 0.35 -5.02 121.20 124.45 1pp0 s ILE 3068Ca 0.01 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 59.91 1pp0 s ILE 3068Cb -0.15 -2.35 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1pp0 s ILE 3068CO -0.10 0.49 1.14 0.21 0.00 0.00 0.00 174.94 176.67 1pp0 s ASN 3069N 0.89 4.60 0.13 3.58 2.47 -1.26 -2.32 114.94 123.03 1pp0 s ASN 3069Ca -0.02 2.08 -0.34 0.00 0.42 0.00 0.00 52.86 55.00 1pp0 s ASN 3069Cb -0.15 -2.56 -0.17 0.00 -1.45 0.00 0.00 41.25 36.92 1pp0 s ASN 3069CO 0.00 -1.98 1.06 0.00 -3.72 0.00 0.00 177.10 172.47 1pp0 n GLN 3070N -2.80 0.73 -3.77 0.43 3.00 -1.26 -4.71 117.38 109.01 1pp0 n GLN 3070Ca 0.11 0.26 -0.13 0.00 -0.01 0.00 0.00 57.00 57.24 1pp0 n GLN 3070Cb 0.52 -1.70 -0.12 0.00 0.00 0.00 0.00 30.24 28.94 1pp0 n GLN 3070CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1pp0 s GLN 3071N -0.32 0.25 -0.22 -1.09 -0.21 -0.24 -4.94 119.66 112.89 1pp0 s GLN 3071Ca 0.77 0.40 -0.29 0.00 0.02 0.00 0.00 55.36 56.26 1pp0 s GLN 3071Cb -0.96 0.03 -0.01 0.00 1.00 0.00 0.00 33.01 33.07 1pp0 s GLN 3071CO 0.53 -0.08 1.30 0.45 -2.12 0.00 0.00 175.29 175.37 1pp0 s SER 3072N 0.57 6.80 0.20 5.90 0.15 -1.26 -1.35 113.70 124.72 1pp0 s SER 3072Ca -0.04 1.51 -0.23 0.00 0.70 0.00 0.00 55.95 57.90 1pp0 s SER 3072Cb -0.05 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.77 1pp0 s SER 3072CO -0.03 -0.92 0.68 0.00 1.20 0.00 0.00 173.24 174.17 1pp0 s GLN 3073N 3.83 1.47 0.47 5.44 -2.07 -0.58 -4.97 119.66 123.25 1pp0 s GLN 3073Ca 0.57 -0.69 -0.18 0.00 -1.82 0.00 0.00 55.36 53.24 1pp0 s GLN 3073Cb -0.20 0.58 -0.09 0.00 -1.09 0.00 0.00 33.01 32.21 1pp0 s GLN 3073CO 0.19 -0.66 0.95 -1.21 -1.32 0.00 0.00 175.29 173.24 1pp0 s GLU 3074N -3.77 4.05 0.23 9.60 2.02 -1.26 -1.81 118.70 127.76 1pp0 s GLU 3074Ca 0.06 0.98 -0.06 0.00 0.02 0.00 0.00 54.97 55.97 1pp0 s GLU 3074Cb -0.03 -2.18 0.38 0.00 0.10 0.00 0.00 34.13 32.40 1pp0 s GLU 3074CO -0.04 -0.15 1.75 0.28 0.02 0.00 0.00 175.26 177.12 1pp0 h VAL 3075N 1.34 0.75 -0.95 2.63 2.07 -0.74 -1.68 116.25 119.67 1pp0 h VAL 3075Ca -0.48 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1pp0 h VAL 3075Cb 1.18 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1pp0 h VAL 3075CO 0.62 0.09 0.61 1.23 0.02 0.00 0.00 177.57 180.14 1pp0 h GLY 3076N 0.49 1.34 1.00 2.17 0.00 -1.01 0.23 103.07 107.30 1pp0 h GLY 3076Ca 0.37 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 1pp0 h GLY 3076CO -0.34 0.50 0.09 0.00 0.00 0.00 0.00 176.54 176.80 1pp0 h ALA 3077N 1.34 0.71 -0.35 3.60 0.00 -1.58 -1.07 119.26 121.91 1pp0 h ALA 3077Ca 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pp0 h ALA 3077Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1pp0 h ALA 3077CO -0.07 0.45 0.09 1.98 0.00 0.00 0.00 179.25 181.69 1pp0 h MET 3078N 0.77 0.56 -0.95 0.00 -1.53 -0.81 -1.80 114.93 111.16 1pp0 h MET 3078Ca 0.16 -0.13 0.03 0.00 -3.44 0.00 0.00 59.70 56.32 1pp0 h MET 3078Cb 0.40 -0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 31.32 1pp0 h MET 3078CO 0.01 0.61 0.62 0.28 0.14 0.00 0.00 176.91 178.57 1pp0 h VAL 3079N 0.41 1.17 -0.73 -5.77 2.07 -0.80 -1.43 116.25 111.17 1pp0 h VAL 3079Ca 0.11 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1pp0 h VAL 3079Cb 0.30 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1pp0 h VAL 3079CO 0.00 0.22 0.40 0.44 0.02 0.00 0.00 177.57 178.66 1pp0 h ASP 3080N 1.22 0.89 -0.38 0.57 3.32 -0.75 0.50 116.42 121.79 1pp0 h ASP 3080Ca 0.38 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 1pp0 h ASP 3080Cb -0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1pp0 h ASP 3080CO -0.12 0.72 -0.15 0.11 -1.72 0.00 0.00 179.24 178.08 1pp0 h LYS 3081N 1.01 0.85 -0.16 3.56 1.57 -0.48 0.05 116.57 122.98 1pp0 h LYS 3081Ca 0.26 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1pp0 h LYS 3081Cb 0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1pp0 h LYS 3081CO -0.04 0.94 -0.08 0.82 -0.57 0.00 0.00 179.45 180.52 1pp0 h ILE 3082N 0.76 1.31 -0.55 1.86 2.04 -0.65 -2.24 117.51 120.04 1pp0 h ILE 3082Ca 0.12 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1pp0 h ILE 3082Cb 0.66 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1pp0 h ILE 3082CO 0.05 0.34 0.19 0.00 0.00 0.00 0.00 178.15 178.72 1pp0 h ALA 3083N 0.67 1.31 -0.18 1.87 0.00 -0.83 -2.39 119.26 119.71 1pp0 h ALA 3083Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1pp0 h ALA 3083Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pp0 h ALA 3083CO 0.02 0.51 0.08 -0.22 0.00 0.00 0.00 179.25 179.64 1pp0 h LYS 3084N 0.79 0.27 -0.14 0.00 3.64 -0.88 0.17 116.57 120.42 1pp0 h LYS 3084Ca 0.18 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1pp0 h LYS 3084Cb 0.20 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1pp0 h LYS 3084CO -0.01 0.32 -0.05 0.35 -2.27 0.00 0.00 179.45 177.79 1pp0 h PHE 3085N 0.15 -0.12 -0.35 1.91 3.57 -1.11 0.14 116.94 121.13 1pp0 h PHE 3085Ca 0.06 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 1pp0 h PHE 3085Cb 0.15 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1pp0 h PHE 3085CO -0.02 -0.09 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.57 1pp0 h LEU 3086N -0.03 0.82 -0.41 0.59 3.38 -1.35 -2.52 115.31 115.79 1pp0 h LEU 3086Ca 0.07 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 1pp0 h LEU 3086Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1pp0 h LEU 3086CO -0.16 1.08 -0.31 -0.74 0.09 0.00 0.00 178.44 178.40 1pp0 h HIS 3087N 0.66 1.10 -0.70 1.13 2.76 -0.43 0.11 115.15 119.77 1pp0 h HIS 3087Ca 0.07 -0.31 -0.02 0.00 -2.20 0.00 0.00 60.37 57.91 1pp0 h HIS 3087Cb 0.88 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 1pp0 h HIS 3087CO 0.05 1.12 0.37 -0.44 -1.30 0.00 0.00 177.93 177.73 1pp0 h ASP 3088N 0.75 0.89 0.98 3.26 3.32 -0.68 -2.19 116.42 122.75 1pp0 h ASP 3088Ca 0.08 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.83 1pp0 h ASP 3088Cb 0.90 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1pp0 h ASP 3088CO 0.08 0.74 -1.08 0.00 -1.72 0.00 0.00 179.24 177.26 1pp0 h ALA 3089N 1.18 0.57 -1.22 3.45 0.00 -1.36 -3.38 119.26 118.50 1pp0 h ALA 3089Ca 0.24 -0.89 -0.47 0.00 0.00 0.00 0.00 54.91 53.80 1pp0 h ALA 3089Cb 0.07 0.06 -0.41 0.00 0.00 0.00 0.00 17.79 17.51 1pp0 h ALA 3089CO -0.04 1.10 -0.97 1.19 0.00 0.00 0.00 179.25 180.52 1pp0 n PHE 3090N -3.18 2.23 -0.11 0.00 3.72 0.36 -4.91 117.46 115.58 1pp0 n PHE 3090Ca -0.04 -2.92 0.22 0.00 -0.05 0.00 0.00 57.45 54.66 1pp0 n PHE 3090Cb 0.89 -0.24 0.65 0.00 -0.94 0.00 0.00 39.48 39.84 1pp0 n PHE 3090CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pp0 h ALA 3091N 2.78 2.51 0.00 4.37 0.00 -1.58 0.10 119.26 127.44 1pp0 h ALA 3091Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pp0 h ALA 3091Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pp0 h ALA 3091CO 0.66 -0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1pp0 n ALA 3092N -2.63 2.18 -0.01 0.00 0.00 -1.26 -3.74 120.51 115.05 1pp0 n ALA 3092Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 1pp0 n ALA 3092Cb 0.71 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 1pp0 n ALA 3092CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pp0 n VAL 3093N -1.41 0.14 -3.63 0.00 0.31 0.07 -5.05 118.33 108.76 1pp0 n VAL 3093Ca 0.08 -0.08 -0.36 0.00 -0.01 0.00 0.00 64.34 63.98 1pp0 n VAL 3093Cb 0.25 -0.85 -0.07 0.00 -0.91 0.00 0.00 33.84 32.26 1pp0 n VAL 3093CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pp0 s VAL 3094N -2.05 5.34 -0.33 2.52 1.01 0.14 -4.94 120.40 122.09 1pp0 s VAL 3094Ca -0.02 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 1pp0 s VAL 3094Cb 0.01 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1pp0 s VAL 3094CO 0.08 0.44 0.25 -0.62 0.00 0.00 0.00 175.10 175.25 1pp0 s ASP 3095N 0.19 6.08 0.10 3.32 -1.08 -1.26 -4.74 116.67 119.27 1pp0 s ASP 3095Ca 0.14 -0.36 -0.34 0.00 -0.52 0.00 0.00 52.55 51.48 1pp0 s ASP 3095Cb -0.12 -2.15 -0.14 0.00 -1.46 0.00 0.00 42.92 39.05 1pp0 s ASP 3095CO 0.03 -0.23 1.57 0.25 0.52 0.00 0.00 175.17 177.30 1pp0 h LEU 3096N 8.52 -1.46 -1.06 -1.34 5.85 -1.96 0.89 115.31 124.74 1pp0 h LEU 3096Ca -0.31 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1pp0 h LEU 3096Cb 1.16 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 1pp0 h LEU 3096CO 0.63 -0.56 0.13 0.77 -0.34 0.00 0.00 178.44 179.07 1pp0 h SER 3097N -0.78 0.75 -0.35 1.25 4.64 -1.98 -1.26 113.55 115.82 1pp0 h SER 3097Ca -0.01 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.10 1pp0 h SER 3097Cb 0.77 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1pp0 h SER 3097CO -0.23 0.73 -0.11 0.50 -0.87 0.00 0.00 176.83 176.85 1pp0 h LYS 3098N 0.78 0.69 -0.51 4.77 1.63 -1.94 -1.42 116.57 120.57 1pp0 h LYS 3098Ca 0.17 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1pp0 h LYS 3098Cb 0.28 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1pp0 h LYS 3098CO -0.00 0.87 0.22 1.25 -3.45 0.00 0.00 179.45 178.33 1pp0 h LEU 3099N 0.48 0.69 -0.60 5.20 5.85 -0.58 -0.85 115.31 125.51 1pp0 h LEU 3099Ca 0.08 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1pp0 h LEU 3099Cb 0.63 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1pp0 h LEU 3099CO 0.04 0.66 0.37 0.00 -0.34 0.00 0.00 178.44 179.17 1pp0 h ALA 3100N 1.06 0.76 -0.67 1.25 0.00 -1.14 -1.31 119.26 119.21 1pp0 h ALA 3100Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pp0 h ALA 3100Cb 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1pp0 h ALA 3100CO -0.02 0.23 0.38 0.00 0.00 0.00 0.00 179.25 179.84 1pp0 h ALA 3101N 1.19 0.86 -0.40 0.00 0.00 -0.88 0.80 119.26 120.84 1pp0 h ALA 3101Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pp0 h ALA 3101Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1pp0 h ALA 3101CO -0.04 0.36 0.19 0.82 0.00 0.00 0.00 179.25 180.58 1pp0 h ILE 3102N 0.92 1.17 -0.19 0.00 2.04 -0.68 0.43 117.51 121.20 1pp0 h ILE 3102Ca 0.24 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1pp0 h ILE 3102Cb 0.02 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1pp0 h ILE 3102CO -0.04 0.19 -0.09 0.40 0.00 0.00 0.00 178.15 178.60 1pp0 h ILE 3103N 0.51 1.31 -0.69 -0.67 2.04 -1.05 -2.31 117.51 116.65 1pp0 h ILE 3103Ca 0.14 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1pp0 h ILE 3103Cb 0.12 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1pp0 h ILE 3103CO -0.02 0.34 0.43 0.25 0.00 0.00 0.00 178.15 179.16 1pp0 h LEU 3104N 0.08 0.82 -1.29 1.44 5.85 -0.75 -1.94 115.31 119.51 1pp0 h LEU 3104Ca 0.04 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1pp0 h LEU 3104Cb 0.57 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1pp0 h LEU 3104CO 0.03 0.62 -0.09 0.78 -0.34 0.00 0.00 178.44 179.45 1pp0 h ASN 3105N 0.94 0.36 -0.10 1.25 2.35 -0.87 -1.72 115.58 117.78 1pp0 h ASN 3105Ca 0.25 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1pp0 h ASN 3105Cb -0.05 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1pp0 h ASN 3105CO -0.05 0.49 -0.02 0.74 -1.65 0.00 0.00 177.43 176.94 1pp0 h THR 3106N 0.36 1.29 0.00 2.81 2.02 -0.82 -2.74 112.91 115.83 1pp0 h THR 3106Ca 0.07 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1pp0 h THR 3106Cb 0.38 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1pp0 h THR 3106CO 0.02 0.26 0.00 0.49 0.37 0.00 0.00 175.52 176.66 1pp0 n PHE 3107N -4.78 0.49 0.84 3.16 3.72 -0.79 -2.22 117.46 117.88 1pp0 n PHE 3107Ca -0.06 0.16 0.12 0.00 -0.05 0.00 0.00 57.45 57.62 1pp0 n PHE 3107Cb 0.23 -0.76 0.13 0.00 -0.94 0.00 0.00 39.48 38.14 1pp0 n PHE 3107CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1pp0 n THR 3108N -1.92 0.12 -2.05 4.37 -2.24 -0.67 -4.22 114.28 107.68 1pp0 n THR 3108Ca 0.05 -0.56 0.05 0.00 -2.27 0.00 0.00 64.05 61.32 1pp0 n THR 3108Cb 0.31 1.37 0.10 0.00 -2.10 0.00 0.00 70.33 70.01 1pp0 n THR 3108CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pp0 n ASN 3109N 1.38 1.30 0.09 3.42 5.15 -0.94 -4.54 115.26 121.12 1pp0 n ASN 3109Ca 0.15 -2.84 0.03 0.00 -0.60 0.00 0.00 54.58 51.32 1pp0 n ASN 3109Cb 0.60 -0.40 0.40 0.00 -0.53 0.00 0.00 39.78 39.85 1pp0 n ASN 3109CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1pp0 h LEU 3110N 0.92 0.30 -0.50 1.20 3.38 -1.67 -2.08 115.31 116.86 1pp0 h LEU 3110Ca -0.11 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1pp0 h LEU 3110Cb 1.47 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1pp0 h LEU 3110CO 0.05 0.38 0.29 -0.08 0.09 0.00 0.00 178.44 179.16 1pp0 h GLU 3111N 0.32 0.55 -0.03 1.13 4.81 -1.89 0.52 114.58 119.99 1pp0 h GLU 3111Ca 0.07 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 1pp0 h GLU 3111Cb 0.26 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1pp0 h GLU 3111CO 0.01 0.37 -0.73 0.93 -0.73 0.00 0.00 179.01 178.85 1pp0 h GLU 3112N 0.57 0.20 -0.01 1.92 5.08 -1.90 -3.23 114.58 117.20 1pp0 h GLU 3112Ca 0.20 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1pp0 h GLU 3112Cb 0.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1pp0 h GLU 3112CO -0.10 0.84 -0.17 0.39 -1.00 0.00 0.00 179.01 178.97 1pp0 n GLU 3113N -3.76 1.32 -0.29 2.33 1.02 -0.81 -4.51 120.64 115.94 1pp0 n GLU 3113Ca -0.03 -0.86 0.11 0.00 -0.02 0.00 0.00 57.16 56.36 1pp0 n GLU 3113Cb 0.71 -1.48 0.27 0.00 -0.02 0.00 0.00 31.44 30.91 1pp0 n GLU 3113CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pp0 h SER 3114N 2.10 0.00 0.38 1.62 0.87 0.01 0.19 113.55 118.72 1pp0 h SER 3114Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1pp0 h SER 3114Cb 0.58 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1pp0 h SER 3114CO 0.00 -0.13 0.00 -1.54 -0.53 0.00 0.00 176.83 174.63 1pp0 n SER 3115N -5.21 0.00 -4.76 6.23 3.41 -1.26 -4.86 113.62 107.16 1pp0 n SER 3115Ca 0.20 -0.31 -0.39 0.00 -0.26 0.00 0.00 58.87 58.11 1pp0 n SER 3115Cb 0.64 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 1pp0 n SER 3115CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1pp0 s SER 3116N -2.42 5.76 0.00 4.04 1.04 0.66 -4.89 113.70 117.89 1pp0 s SER 3116Ca 0.30 2.69 0.18 0.00 0.48 0.00 0.00 55.95 59.61 1pp0 s SER 3116Cb 0.19 -2.63 0.90 0.00 0.10 0.00 0.00 66.02 64.57 1pp0 s SER 3116CO 0.40 -1.23 1.56 0.61 0.98 0.00 0.00 173.24 175.55 1pp0 n GLY 3117N 0.63 -0.94 1.15 7.32 0.00 -1.26 -2.85 105.19 109.25 1pp0 n GLY 3117Ca 0.07 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1pp0 n GLY 3117CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pp0 n PHE 3118N -1.33 0.92 -4.66 1.61 1.16 -1.06 -4.32 117.46 109.78 1pp0 n PHE 3118Ca 0.08 -0.54 -0.23 0.00 -1.87 0.00 0.00 57.45 54.89 1pp0 n PHE 3118Cb 0.16 -0.08 -0.15 0.00 -1.61 0.00 0.00 39.48 37.80 1pp0 n PHE 3118CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pp0 s LEU 3119N -1.28 2.01 -0.06 5.98 1.43 -1.13 -0.74 118.68 124.89 1pp0 s LEU 3119Ca 0.41 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1pp0 s LEU 3119Cb 0.23 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.74 1pp0 s LEU 3119CO 0.25 0.17 0.01 -1.58 0.23 0.00 0.00 176.35 175.42 1pp0 s GLN 3120N -0.29 0.53 0.12 1.70 2.00 -0.36 -4.82 119.66 118.53 1pp0 s GLN 3120Ca 0.05 0.13 -0.02 0.00 -2.00 0.00 0.00 55.36 53.51 1pp0 s GLN 3120Cb -0.06 -0.89 -0.05 0.00 0.80 0.00 0.00 33.01 32.81 1pp0 s GLN 3120CO -0.00 -0.29 0.32 0.12 -0.50 0.00 0.00 175.29 174.94 1pp0 s PHE 3121N 1.89 3.49 0.10 1.67 5.36 -1.26 -1.02 117.98 128.21 1pp0 s PHE 3121Ca 0.03 0.42 -0.25 0.00 -0.96 0.00 0.00 56.93 56.17 1pp0 s PHE 3121Cb -0.12 -1.89 0.07 0.00 -0.34 0.00 0.00 43.02 40.73 1pp0 s PHE 3121CO -0.05 0.49 0.61 1.21 -1.46 0.00 0.00 175.22 176.02 1pp0 s ASN 3122N -2.55 -0.57 0.19 6.13 2.47 -0.70 -5.00 114.94 114.90 1pp0 s ASN 3122Ca 0.38 0.17 0.09 0.00 0.42 0.00 0.00 52.86 53.92 1pp0 s ASN 3122Cb -0.12 0.57 -0.04 0.00 -1.45 0.00 0.00 41.25 40.21 1pp0 s ASN 3122CO 0.26 -0.86 -0.17 0.42 -3.72 0.00 0.00 177.10 173.03 1pp0 s THR 3123N -3.06 1.88 -0.30 -5.21 -4.23 -1.26 -1.11 115.64 102.35 1pp0 s THR 3123Ca -0.02 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1pp0 s THR 3123Cb -0.01 -1.96 0.08 0.00 1.34 0.00 0.00 72.50 71.96 1pp0 s THR 3123CO -0.07 -0.40 -0.01 0.21 -0.54 0.00 0.00 174.62 173.82 1pp0 s ASN 3124N -2.94 4.49 0.25 3.99 3.84 -0.43 -4.97 114.94 119.18 1pp0 s ASN 3124Ca 0.19 -1.76 -0.05 0.00 0.21 0.00 0.00 52.86 51.45 1pp0 s ASN 3124Cb -0.04 -1.49 0.33 0.00 -0.55 0.00 0.00 41.25 39.50 1pp0 s ASN 3124CO 0.08 -0.31 1.88 0.78 -2.79 0.00 0.00 177.10 176.74 1pp0 h ASN 3125N 7.74 0.97 0.63 -4.21 -0.26 -1.95 0.53 115.58 119.03 1pp0 h ASN 3125Ca -0.11 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.61 1pp0 h ASN 3125Cb 1.03 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 1pp0 h ASN 3125CO 0.48 0.64 -0.42 0.58 -1.06 0.00 0.00 177.43 177.65 1pp0 h VAL 3126N 1.12 0.15 0.00 2.81 2.07 -1.96 -2.89 116.25 117.54 1pp0 h VAL 3126Ca 0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.90 1pp0 h VAL 3126Cb 0.08 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1pp0 h VAL 3126CO -0.14 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.56 1pp0 h LYS 3127N -1.00 0.00 -2.17 1.57 1.57 -1.98 -3.47 116.57 111.09 1pp0 h LYS 3127Ca -0.08 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.38 1pp0 h LYS 3127Cb 0.82 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1pp0 h LYS 3127CO 0.06 0.00 -0.41 1.63 -0.57 0.00 0.00 179.45 180.16 1pp0 n LYS 3128N -2.39 -1.29 -2.05 3.15 5.02 0.18 -5.01 118.16 115.78 1pp0 n LYS 3128Ca 0.05 0.82 -0.04 0.00 -2.02 0.00 0.00 58.31 57.12 1pp0 n LYS 3128Cb 0.43 -5.21 -0.00 0.00 -0.02 0.00 0.00 35.03 30.23 1pp0 n LYS 3128CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1pp0 n ASN 3129N -1.07 1.66 -3.89 4.39 0.23 -1.08 -3.79 115.26 111.72 1pp0 n ASN 3129Ca -0.19 -1.26 -0.08 0.00 -0.53 0.00 0.00 54.58 52.51 1pp0 n ASN 3129Cb 0.64 0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.32 1pp0 n ASN 3129CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1pp0 s SER 3130N -1.39 -0.16 0.18 0.53 1.04 -0.98 -1.31 113.70 111.61 1pp0 s SER 3130Ca 0.02 -0.79 -0.16 0.00 0.48 0.00 0.00 55.95 55.51 1pp0 s SER 3130Cb -0.00 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1pp0 s SER 3130CO 0.01 -1.26 0.46 -0.94 0.98 0.00 0.00 173.24 172.50 1pp0 s SER 3131N -2.97 -0.21 -0.03 7.02 1.04 -0.27 -1.36 113.70 116.92 1pp0 s SER 3131Ca 0.17 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1pp0 s SER 3131Cb -0.03 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1pp0 s SER 3131CO 0.08 -0.99 -0.05 0.26 0.98 0.00 0.00 173.24 173.52 1pp0 s TRP 3132N -3.88 0.69 -0.22 5.02 0.52 -0.33 -1.73 118.94 119.02 1pp0 s TRP 3132Ca 0.09 -0.17 -0.10 0.00 0.02 0.00 0.00 56.10 55.95 1pp0 s TRP 3132Cb 0.00 -0.58 -0.05 0.00 -1.15 0.00 0.00 33.47 31.69 1pp0 s TRP 3132CO -0.04 -0.14 0.14 -2.00 0.02 0.00 0.00 176.95 174.93 1pp0 s GLU 3133N 0.65 4.08 -0.20 4.98 2.12 -0.19 -1.10 118.70 129.05 1pp0 s GLU 3133Ca -0.08 -0.27 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 1pp0 s GLU 3133Cb -0.12 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 1pp0 s GLU 3133CO 0.00 0.16 -0.08 -0.47 -0.54 0.00 0.00 175.26 174.33 1pp0 s TYR 3134N 0.77 2.91 -0.22 5.30 5.04 0.55 -1.22 117.35 130.47 1pp0 s TYR 3134Ca 0.07 -0.98 -0.06 0.00 -2.44 0.00 0.00 57.07 53.66 1pp0 s TYR 3134Cb -0.13 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.13 1pp0 s TYR 3134CO 0.02 -0.52 0.02 1.03 -1.34 0.00 0.00 175.55 174.76 1pp0 s ARG 3135N 1.25 3.59 0.00 4.97 0.52 0.08 -0.92 118.95 128.44 1pp0 s ARG 3135Ca 0.03 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1pp0 s ARG 3135Cb -0.14 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 1pp0 s ARG 3135CO -0.03 -0.10 -0.03 0.54 0.02 0.00 0.00 175.30 175.70 1pp0 s VAL 3136N 1.31 0.22 -0.22 3.52 0.11 -0.29 -0.75 120.40 124.30 1pp0 s VAL 3136Ca 0.04 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1pp0 s VAL 3136Cb -0.15 -0.21 0.05 0.00 -1.53 0.00 0.00 36.38 34.54 1pp0 s VAL 3136CO 0.01 -0.02 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.48 1pp0 s LEU 3137N -0.29 2.36 -0.08 2.54 0.20 -0.24 -0.94 118.68 122.21 1pp0 s LEU 3137Ca -0.01 -1.06 -0.13 0.00 0.69 0.00 0.00 54.13 53.62 1pp0 s LEU 3137Cb -0.02 -1.13 -0.05 0.00 -0.43 0.00 0.00 46.19 44.55 1pp0 s LEU 3137CO -0.00 -0.22 0.33 -0.36 -0.29 0.00 0.00 176.35 175.81 1pp0 s PHE 3138N 1.44 3.60 -0.04 5.38 0.08 -0.78 -1.12 117.98 126.54 1pp0 s PHE 3138Ca -0.04 0.78 0.02 0.00 0.12 0.00 0.00 56.93 57.81 1pp0 s PHE 3138Cb -0.18 -2.27 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 1pp0 s PHE 3138CO -0.07 0.49 -0.09 -1.12 -0.10 0.00 0.00 175.22 174.33 1pp0 s SER 3139N -0.41 1.34 0.00 1.36 0.01 -0.47 0.01 113.70 115.54 1pp0 s SER 3139Ca 0.20 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1pp0 s SER 3139Cb -0.15 -0.50 -0.00 0.00 0.21 0.00 0.00 66.02 65.58 1pp0 s SER 3139CO 0.08 0.03 -0.01 0.54 0.41 0.00 0.00 173.24 174.29 1pp0 s VAL 3140N 0.48 0.07 0.37 3.43 0.11 -0.61 -3.30 120.40 120.96 1pp0 s VAL 3140Ca -0.08 -0.19 -0.28 0.00 -2.93 0.00 0.00 61.98 58.49 1pp0 s VAL 3140Cb -0.12 -0.10 -0.11 0.00 -1.53 0.00 0.00 36.38 34.52 1pp0 s VAL 3140CO 0.01 -0.08 1.41 -0.81 -3.33 0.00 0.00 175.10 172.31 1pp0 n PRO 3141N 2.79 2.45 0.00 1.54 -0.04 -1.26 -0.74 135.00 139.74 1pp0 n PRO 3141Ca -0.14 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1pp0 n PRO 3141Cb 0.59 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1pp0 n PRO 3141CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pp0 n PHE 3142N 0.34 0.00 -0.12 0.54 -0.00 -0.73 -4.71 117.46 112.79 1pp0 n PHE 3142Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.23 1pp0 n PHE 3142Cb 0.38 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.77 1pp0 n PHE 3142CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pp0 n ALA 3146N -3.00 1.47 0.48 3.13 0.00 -1.26 -4.96 120.51 116.37 1pp0 n ALA 3146Ca 0.00 -0.95 0.05 0.00 0.00 0.00 0.00 53.44 52.54 1pp0 n ALA 3146Cb 0.00 0.16 0.25 0.00 0.00 0.00 0.00 19.45 19.87 1pp0 n ALA 3146CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pp0 n PRO 3147N -3.94 0.15 -0.16 0.00 -0.04 -1.26 -1.42 135.00 128.33 1pp0 n PRO 3147Ca -0.46 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.30 1pp0 n PRO 3147Cb 0.85 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 33.04 1pp0 n PRO 3147CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1pp0 n SER 3148N -1.27 3.16 -4.30 3.54 7.64 -1.26 -4.95 113.62 116.19 1pp0 n SER 3148Ca 0.05 -1.95 -0.23 0.00 1.01 0.00 0.00 58.87 57.74 1pp0 n SER 3148Cb 0.08 -0.21 -0.12 0.00 -1.01 0.00 0.00 64.21 62.94 1pp0 n SER 3148CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1pp0 s TYR 3149N -1.57 1.79 0.06 1.43 1.51 -0.51 0.50 117.35 120.56 1pp0 s TYR 3149Ca 0.37 -0.44 -0.14 0.00 -1.01 0.00 0.00 57.07 55.85 1pp0 s TYR 3149Cb 0.22 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1pp0 s TYR 3149CO 0.31 0.24 0.33 -0.59 -1.11 0.00 0.00 175.55 174.73 1pp0 s PHE 3150N -1.45 -0.12 0.02 2.71 -0.71 0.19 -1.77 117.98 116.86 1pp0 s PHE 3150Ca 0.09 -0.06 -0.13 0.00 -1.04 0.00 0.00 56.93 55.79 1pp0 s PHE 3150Cb -0.09 0.13 -0.06 0.00 -1.21 0.00 0.00 43.02 41.79 1pp0 s PHE 3150CO 0.05 -0.55 0.40 0.71 -1.34 0.00 0.00 175.22 174.49 1pp0 s TYR 3151N -2.88 3.68 -0.08 3.49 2.02 0.08 -0.17 117.35 123.48 1pp0 s TYR 3151Ca -0.03 0.92 0.01 0.00 -0.37 0.00 0.00 57.07 57.60 1pp0 s TYR 3151Cb 0.00 -2.24 0.02 0.00 -0.40 0.00 0.00 41.96 39.34 1pp0 s TYR 3151CO -0.05 0.61 -0.09 -1.12 -1.57 0.00 0.00 175.55 173.33 1pp0 s SER 3152N -1.30 1.83 -0.39 2.29 0.01 -0.53 -1.58 113.70 114.04 1pp0 s SER 3152Ca 0.27 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 1pp0 s SER 3152Cb -0.16 -0.76 0.09 0.00 0.21 0.00 0.00 66.02 65.41 1pp0 s SER 3152CO 0.15 -0.06 0.17 -0.22 0.41 0.00 0.00 173.24 173.68 1pp0 s LEU 3153N 1.23 4.96 -0.37 2.44 2.96 0.10 -0.50 118.68 129.50 1pp0 s LEU 3153Ca -0.04 -1.82 -0.29 0.00 -0.22 0.00 0.00 54.13 51.76 1pp0 s LEU 3153Cb -0.14 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.75 1pp0 s LEU 3153CO -0.02 -0.48 1.12 -0.69 -1.32 0.00 0.00 176.35 174.95 1pp0 s VAL 3154N 1.19 4.37 -0.02 1.68 1.01 -0.04 -1.87 120.40 126.72 1pp0 s VAL 3154Ca 0.05 1.53 0.05 0.00 0.00 0.00 0.00 61.98 63.61 1pp0 s VAL 3154Cb -0.22 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.69 1pp0 s VAL 3154CO -0.03 -0.66 -0.16 -0.89 0.00 0.00 0.00 175.10 173.36 1pp0 s THR 3155N 3.99 1.32 0.00 3.92 2.01 -0.12 -0.79 115.64 125.98 1pp0 s THR 3155Ca 0.47 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.82 1pp0 s THR 3155Cb -0.11 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 1pp0 s THR 3155CO 0.22 0.38 -0.13 0.42 -0.69 0.00 0.00 174.62 174.81 1pp0 s THR 3156N -0.25 1.01 -0.15 -0.82 -4.23 0.10 -1.14 115.64 110.16 1pp0 s THR 3156Ca 0.03 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1pp0 s THR 3156Cb -0.08 -0.87 0.04 0.00 1.34 0.00 0.00 72.50 72.93 1pp0 s THR 3156CO 0.00 0.19 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.62 1pp0 s ILE 3157N -0.46 0.82 -0.31 2.99 1.01 -0.10 -1.43 121.20 123.72 1pp0 s ILE 3157Ca 0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 1pp0 s ILE 3157Cb -0.06 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1pp0 s ILE 3157CO 0.00 0.11 0.09 -0.22 0.00 0.00 0.00 174.94 174.92 1pp0 s LEU 3158N 1.76 3.98 -0.17 2.97 2.96 0.13 -0.33 118.68 129.98 1pp0 s LEU 3158Ca 0.02 -0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 53.09 1pp0 s LEU 3158Cb -0.15 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1pp0 s LEU 3158CO -0.07 -0.23 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.07 1pp0 s ILE 3159N 1.49 3.88 -0.01 6.68 1.01 -0.26 -1.03 121.20 132.97 1pp0 s ILE 3159Ca 0.02 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.37 1pp0 s ILE 3159Cb -0.18 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 1pp0 s ILE 3159CO 0.03 0.48 -0.17 -0.89 0.00 0.00 0.00 174.94 174.39 1pp0 s THR 3160N 0.55 2.88 0.10 2.92 2.01 -0.37 -1.18 115.64 122.55 1pp0 s THR 3160Ca -0.02 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 1pp0 s THR 3160Cb -0.14 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1pp0 s THR 3160CO 0.03 0.48 0.12 0.00 -0.69 0.00 0.00 174.62 174.56 1pp0 s ALA 3161N -0.81 0.24 -1.49 7.40 0.00 -0.46 -1.10 121.76 125.53 1pp0 s ALA 3161Ca 0.13 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 1pp0 s ALA 3161Cb -0.11 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.60 1pp0 s ALA 3161CO 0.03 -0.49 2.59 -0.40 0.00 0.00 0.00 175.76 177.48 1pp0 n ASP 3162N -0.05 7.32 -4.12 0.00 5.75 -1.16 -2.31 116.55 121.98 1pp0 n ASP 3162Ca -0.11 -2.80 -0.31 0.00 -0.01 0.00 0.00 54.79 51.55 1pp0 n ASP 3162Cb 0.62 -1.53 -0.16 0.00 -1.03 0.00 0.00 41.12 39.02 1pp0 n ASP 3162CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1pp0 s ILE 3163N 1.44 1.86 0.00 2.12 1.01 -1.26 -4.90 121.20 121.48 1pp0 s ILE 3163Ca 0.59 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 60.20 1pp0 s ILE 3163Cb 0.17 -1.67 -0.25 0.00 0.01 0.00 0.00 42.46 40.71 1pp0 s ILE 3163CO -0.07 0.51 1.07 -0.08 0.00 0.00 0.00 174.94 176.37 1pp0 h GLU 3164N 7.53 0.42 -6.42 2.79 4.81 -1.87 -2.65 114.58 119.19 1pp0 h GLU 3164Ca -0.35 -0.49 -0.62 0.00 -0.13 0.00 0.00 59.36 57.77 1pp0 h GLU 3164Cb 1.17 0.15 -0.14 0.00 0.63 0.00 0.00 28.75 30.56 1pp0 h GLU 3164CO 0.55 1.15 -0.73 -1.21 -0.73 0.00 0.00 179.01 178.04 1pp0 s GLU 3165N -3.08 2.01 0.22 1.92 2.02 -1.26 -4.79 118.70 115.75 1pp0 s GLU 3165Ca -0.13 -1.34 -0.07 0.00 0.02 0.00 0.00 54.97 53.45 1pp0 s GLU 3165Cb 0.03 -2.10 0.35 0.00 0.10 0.00 0.00 34.13 32.51 1pp0 s GLU 3165CO 0.83 0.42 1.74 -0.22 0.02 0.00 0.00 175.26 178.05 1pp0 h LYS 3166N 2.79 0.41 0.00 1.61 3.64 -1.97 0.39 116.57 123.44 1pp0 h LYS 3166Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1pp0 h LYS 3166Cb 1.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1pp0 h LYS 3166CO 0.55 0.27 0.01 1.79 -2.27 0.00 0.00 179.45 179.79 1pp0 h THR 3167N 0.42 0.00 0.00 1.00 1.35 -1.99 -0.76 112.91 112.93 1pp0 h THR 3167Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 1pp0 h THR 3167Cb 0.48 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1pp0 h THR 3167CO -0.35 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.53 1pp0 n GLY 3168N -1.14 -1.09 0.29 5.82 0.00 0.13 -2.17 105.19 107.02 1pp0 n GLY 3168Ca -0.03 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1pp0 n GLY 3168CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pp0 n TRP 3169N -1.69 0.00 -2.66 1.61 7.02 -0.29 -4.90 117.44 116.52 1pp0 n TRP 3169Ca 0.03 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.12 1pp0 n TRP 3169Cb 0.19 -0.09 -0.05 0.00 -2.42 0.00 0.00 31.31 28.94 1pp0 n TRP 3169CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1pp0 s TRP 3170N -2.56 3.72 -1.10 -5.99 0.23 -0.92 -3.81 118.94 108.51 1pp0 s TRP 3170Ca 0.21 1.80 0.00 0.00 -2.03 0.00 0.00 56.10 56.07 1pp0 s TRP 3170Cb 0.19 -3.06 0.00 0.00 0.03 0.00 0.00 33.47 30.63 1pp0 s TRP 3170CO 0.57 0.01 0.00 0.41 0.96 0.00 0.00 176.95 178.90 1pp0 n GLY 3171N 1.04 0.92 3.75 0.98 0.00 -1.26 -4.99 105.19 105.63 1pp0 n GLY 3171Ca 0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 1pp0 n GLY 3171CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pp0 s LEU 3172N -2.62 3.71 0.37 0.99 1.43 -1.25 -5.03 118.68 116.28 1pp0 s LEU 3172Ca 0.00 2.45 0.06 0.00 -1.03 0.00 0.00 54.13 55.61 1pp0 s LEU 3172Cb 0.00 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.62 1pp0 s LEU 3172CO 0.00 -1.57 0.02 0.42 0.23 0.00 0.00 176.35 175.45 1pp0 s THR 3173N -1.53 1.67 0.54 5.49 -4.23 -1.26 -4.57 115.64 111.74 1pp0 s THR 3173Ca 0.76 -2.01 0.34 0.00 -1.18 0.00 0.00 61.69 59.60 1pp0 s THR 3173Cb -0.32 -2.89 0.37 0.00 1.34 0.00 0.00 72.50 71.00 1pp0 s THR 3173CO 0.35 -0.02 2.23 0.77 -0.54 0.00 0.00 174.62 177.41 1pp0 h SER 3174N 1.94 0.00 0.43 3.99 4.64 -1.95 -2.11 113.55 120.48 1pp0 h SER 3174Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1pp0 h SER 3174Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1pp0 h SER 3174CO 0.76 0.03 -0.45 -1.20 -0.87 0.00 0.00 176.83 175.10 1pp0 n SER 3175N -3.53 0.63 -4.68 4.97 7.64 -1.26 -0.42 113.62 116.96 1pp0 n SER 3175Ca -0.02 -0.41 -0.42 0.00 1.01 0.00 0.00 58.87 59.02 1pp0 n SER 3175Cb 0.13 0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 1pp0 n SER 3175CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1pp0 s THR 3176N -2.88 2.97 -0.20 0.44 2.01 -0.80 -4.65 115.64 112.53 1pp0 s THR 3176Ca 0.14 0.36 -0.09 0.00 0.31 0.00 0.00 61.69 62.41 1pp0 s THR 3176Cb 0.18 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 1pp0 s THR 3176CO 0.66 -0.01 0.11 -0.75 -0.69 0.00 0.00 174.62 173.95 1pp0 s LYS 3177N 2.97 4.10 0.24 4.92 2.20 -1.26 -0.60 119.74 132.31 1pp0 s LYS 3177Ca 0.77 -0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 56.07 1pp0 s LYS 3177Cb -0.41 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1pp0 s LYS 3177CO 0.34 0.24 0.28 0.15 -0.36 0.00 0.00 175.35 176.00 1pp0 s LYS 3178N 0.52 1.44 -0.74 4.03 -0.14 -0.75 -4.93 119.74 119.16 1pp0 s LYS 3178Ca 0.06 -1.58 -0.22 0.00 -1.36 0.00 0.00 55.97 52.88 1pp0 s LYS 3178Cb -0.12 0.35 0.08 0.00 -1.68 0.00 0.00 37.83 36.46 1pp0 s LYS 3178CO -0.00 -0.53 1.04 -0.80 -0.76 0.00 0.00 175.35 174.29 1pp0 s ASN 3179N -3.15 6.29 -0.10 2.83 0.01 -1.26 -1.53 114.94 118.03 1pp0 s ASN 3179Ca 0.34 -1.23 -0.05 0.00 -0.71 0.00 0.00 52.86 51.21 1pp0 s ASN 3179Cb 0.04 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 1pp0 s ASN 3179CO 0.14 -1.38 0.10 -0.36 -1.51 0.00 0.00 177.10 174.09 1pp0 s PHE 3180N 3.87 3.46 0.17 2.20 0.08 -0.46 -2.96 117.98 124.34 1pp0 s PHE 3180Ca 0.26 0.41 0.08 0.00 0.12 0.00 0.00 56.93 57.80 1pp0 s PHE 3180Cb -0.13 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1pp0 s PHE 3180CO 0.05 0.65 -0.17 0.00 -0.10 0.00 0.00 175.22 175.65 1pp0 s ALA 3181N -1.01 1.96 -0.04 5.36 0.00 -0.26 -1.08 121.76 126.69 1pp0 s ALA 3181Ca 0.15 -1.52 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 1pp0 s ALA 3181Cb -0.12 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1pp0 s ALA 3181CO 0.05 0.18 0.31 0.54 0.00 0.00 0.00 175.76 176.83 1pp0 s VAL 3182N -2.31 0.04 -0.11 0.00 0.11 -0.98 -1.24 120.40 115.91 1pp0 s VAL 3182Ca 0.17 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1pp0 s VAL 3182Cb -0.04 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1pp0 s VAL 3182CO 0.06 -0.19 -0.11 -1.58 -3.33 0.00 0.00 175.10 169.95 1pp0 s GLN 3183N -0.90 1.85 -0.10 1.54 2.00 -0.19 -0.50 119.66 123.37 1pp0 s GLN 3183Ca -0.10 -0.40 0.03 0.00 -2.00 0.00 0.00 55.36 52.89 1pp0 s GLN 3183Cb -0.04 -1.73 -0.01 0.00 0.80 0.00 0.00 33.01 32.03 1pp0 s GLN 3183CO 0.03 -0.18 -0.20 0.42 -0.50 0.00 0.00 175.29 174.86 1pp0 s ILE 3184N 1.36 2.42 -0.04 -2.34 1.01 0.62 -0.69 121.20 123.54 1pp0 s ILE 3184Ca -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1pp0 s ILE 3184Cb -0.14 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1pp0 s ILE 3184CO -0.06 0.55 -0.08 -1.81 0.00 0.00 0.00 174.94 173.55 1pp0 s ASP 3185N 0.18 1.17 -0.11 3.58 1.01 -0.52 -0.90 116.67 121.08 1pp0 s ASP 3185Ca -0.12 -0.18 -0.05 0.00 0.71 0.00 0.00 52.55 52.91 1pp0 s ASP 3185Cb -0.16 -0.45 0.05 0.00 1.01 0.00 0.00 42.92 43.37 1pp0 s ASP 3185CO 0.06 0.01 0.26 0.00 0.21 0.00 0.00 175.17 175.71 1pp0 s ALA 3186N 0.55 -0.58 -0.15 5.23 0.00 -0.30 -0.72 121.76 125.78 1pp0 s ALA 3186Ca -0.09 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1pp0 s ALA 3186Cb -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1pp0 s ALA 3186CO 0.01 -0.32 -0.19 -1.17 0.00 0.00 0.00 175.76 174.09 1pp0 s LEU 3187N 1.58 2.01 -0.20 0.00 0.20 0.03 -1.00 118.68 121.30 1pp0 s LEU 3187Ca -0.07 -0.59 -0.14 0.00 0.69 0.00 0.00 54.13 54.02 1pp0 s LEU 3187Cb -0.11 -1.38 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 1pp0 s LEU 3187CO -0.09 0.02 0.33 -0.70 -0.29 0.00 0.00 176.35 175.63 1pp0 s GLU 3188N 1.12 4.18 0.13 1.98 2.12 0.67 -0.87 118.70 128.03 1pp0 s GLU 3188Ca -0.00 0.10 0.11 0.00 0.36 0.00 0.00 54.97 55.53 1pp0 s GLU 3188Cb -0.14 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1pp0 s GLU 3188CO -0.08 0.04 -0.26 -0.51 -0.54 0.00 0.00 175.26 173.92 1pp0 s LEU 3189N 1.07 2.35 -0.25 2.70 1.43 0.34 -1.33 118.68 124.99 1pp0 s LEU 3189Ca 0.16 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1pp0 s LEU 3189Cb -0.14 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1pp0 s LEU 3189CO 0.06 0.18 0.00 -0.69 0.23 0.00 0.00 176.35 176.13 1pp0 s VAL 3190N -1.10 3.55 -0.01 -1.59 1.01 0.30 -1.46 120.40 121.10 1pp0 s VAL 3190Ca 0.15 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1pp0 s VAL 3190Cb -0.10 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1pp0 s VAL 3190CO 0.06 0.27 -0.13 -0.69 0.00 0.00 0.00 175.10 174.61 1pp0 s VAL 3191N 1.47 3.14 -0.02 2.92 1.01 0.76 -1.12 120.40 128.55 1pp0 s VAL 3191Ca 0.04 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1pp0 s VAL 3191Cb -0.16 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1pp0 s VAL 3191CO -0.01 0.48 -0.00 -0.75 0.00 0.00 0.00 175.10 174.82 1pp0 s LYS 3192N -1.07 2.82 0.10 2.72 2.20 -0.34 -0.63 119.74 125.53 1pp0 s LYS 3192Ca 0.14 -0.57 -0.35 0.00 -0.36 0.00 0.00 55.97 54.83 1pp0 s LYS 3192Cb -0.11 -2.69 -0.15 0.00 -1.51 0.00 0.00 37.83 33.38 1pp0 s LYS 3192CO 0.03 0.64 1.54 1.17 -0.36 0.00 0.00 175.35 178.38 1pp0 n LYS 3193N 1.59 1.84 0.00 4.03 4.81 0.18 -2.01 118.16 128.61 1pp0 n LYS 3193Ca -0.16 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1pp0 n LYS 3193Cb 0.53 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1pp0 n LYS 3193CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pp0 n GLY 3194N 3.28 0.85 3.77 3.14 0.00 -1.26 -5.06 105.19 109.90 1pp0 n GLY 3194Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1pp0 n GLY 3194CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pp0 s PHE 3195N -2.00 2.70 -0.04 1.61 5.36 -0.85 -5.02 117.98 119.75 1pp0 s PHE 3195Ca 0.00 1.09 0.03 0.00 -0.96 0.00 0.00 56.93 57.09 1pp0 s PHE 3195Cb 0.00 -3.99 0.01 0.00 -0.34 0.00 0.00 43.02 38.70 1pp0 s PHE 3195CO 0.00 -3.00 -0.11 0.15 -1.46 0.00 0.00 175.22 170.80 1pp0 s LYS 3196N -1.57 1.29 0.19 10.12 -0.14 -1.26 -4.66 119.74 123.71 1pp0 s LYS 3196Ca 0.55 -0.38 -0.33 0.00 -1.36 0.00 0.00 55.97 54.46 1pp0 s LYS 3196Cb -0.46 -1.14 -0.13 0.00 -1.68 0.00 0.00 37.83 34.42 1pp0 s LYS 3196CO 0.57 0.11 1.56 0.00 -0.76 0.00 0.00 175.35 176.83 1pp0 n ALA 3197N 3.43 1.58 0.99 5.17 0.00 -1.26 -5.05 120.51 125.37 1pp0 n ALA 3197Ca -0.20 0.43 0.08 0.00 0.00 0.00 0.00 53.44 53.75 1pp0 n ALA 3197Cb 0.53 -2.37 0.47 0.00 0.00 0.00 0.00 19.45 18.09 1pp0 n ALA 3197CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15