#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp6 h VAL 3006N 0.00 1.15 -2.96 2.41 2.07 -1.91 -3.26 116.25 113.76 1pp6 h VAL 3006Ca 0.00 -0.46 -0.61 0.00 0.82 0.00 0.00 66.70 66.45 1pp6 h VAL 3006Cb 0.00 1.40 -0.12 0.00 -1.52 0.00 0.00 31.29 31.05 1pp6 h VAL 3006CO 0.00 0.12 -0.68 -0.36 0.02 0.00 0.00 177.57 176.67 1pp6 s PHE 3007N -5.45 2.78 -1.23 1.57 0.08 -1.26 -3.95 117.98 110.52 1pp6 s PHE 3007Ca -0.14 -0.16 -0.17 0.00 0.12 0.00 0.00 56.93 56.59 1pp6 s PHE 3007Cb 0.05 -1.36 0.11 0.00 -0.57 0.00 0.00 43.02 41.25 1pp6 s PHE 3007CO 0.67 0.51 1.58 -1.14 -0.10 0.00 0.00 175.22 176.74 1pp6 s GLN 3008N -2.85 3.99 -0.33 0.44 0.74 -1.25 -4.84 119.66 115.56 1pp6 s GLN 3008Ca 0.26 -2.17 -0.44 0.00 0.05 0.00 0.00 55.36 53.07 1pp6 s GLN 3008Cb -0.09 -5.32 -0.19 0.00 1.10 0.00 0.00 33.01 28.51 1pp6 s GLN 3008CO 0.17 -2.04 1.51 -0.35 -0.55 0.00 0.00 175.29 174.03 1pp6 n PRO 3009N 7.27 0.29 -3.79 1.67 -0.04 -1.26 -3.88 135.00 135.24 1pp6 n PRO 3009Ca 0.42 0.10 -0.27 0.00 -0.04 0.00 0.00 63.50 63.72 1pp6 n PRO 3009Cb 0.45 -1.65 -0.17 0.00 -0.04 0.00 0.00 33.50 32.10 1pp6 n PRO 3009CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pp6 s VAL 3010N 2.37 0.69 -0.23 0.52 1.01 -1.23 -4.93 120.40 118.59 1pp6 s VAL 3010Ca 1.00 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 1pp6 s VAL 3010Cb -1.34 -1.03 0.12 0.00 0.00 0.00 0.00 36.38 34.13 1pp6 s VAL 3010CO 0.72 -0.02 0.38 1.51 0.00 0.00 0.00 175.10 177.69 1pp6 s ASP 3011N 1.80 0.17 -1.23 3.32 1.47 -1.26 -1.81 116.67 119.13 1pp6 s ASP 3011Ca 0.01 0.38 -0.09 0.00 1.18 0.00 0.00 52.55 54.03 1pp6 s ASP 3011Cb -0.16 1.13 0.20 0.00 -0.34 0.00 0.00 42.92 43.75 1pp6 s ASP 3011CO -0.07 -0.28 1.74 0.00 0.68 0.00 0.00 175.17 177.23 1pp6 n GLN 3012N 5.37 3.76 -4.38 2.11 1.13 -1.20 -4.96 117.38 119.21 1pp6 n GLN 3012Ca -0.05 -3.78 -0.23 0.00 -1.94 0.00 0.00 57.00 51.00 1pp6 n GLN 3012Cb 0.50 -2.85 -0.11 0.00 0.11 0.00 0.00 30.24 27.89 1pp6 n GLN 3012CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1pp6 s LEU 3013N -0.51 2.47 0.09 1.08 1.43 -1.26 -4.24 118.68 117.75 1pp6 s LEU 3013Ca 0.38 -0.91 -0.31 0.00 -1.03 0.00 0.00 54.13 52.27 1pp6 s LEU 3013Cb 0.07 -0.94 -0.07 0.00 0.03 0.00 0.00 46.19 45.28 1pp6 s LEU 3013CO 0.02 0.00 1.38 -2.16 0.23 0.00 0.00 176.35 175.82 1pp6 s PRO 3014N -2.97 4.32 0.00 1.29 0.04 -1.26 -4.78 135.00 131.65 1pp6 s PRO 3014Ca 0.20 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 1pp6 s PRO 3014Cb -0.06 -3.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 1pp6 s PRO 3014CO 0.09 -0.45 0.06 -0.85 0.04 0.00 0.00 177.00 175.89 1pp6 n GLU 3015N 4.20 -0.01 0.00 4.56 0.28 -1.26 0.18 120.64 128.60 1pp6 n GLU 3015Ca 0.12 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1pp6 n GLU 3015Cb 0.43 -0.08 0.00 0.00 1.43 0.00 0.00 31.44 33.21 1pp6 n GLU 3015CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pp6 n ASP 3016N -2.77 0.00 -0.00 -1.84 8.00 -1.26 0.22 116.55 118.90 1pp6 n ASP 3016Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1pp6 n ASP 3016Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.10 1pp6 n ASP 3016CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pp6 n LEU 3017N -0.58 0.04 -0.16 0.64 4.32 0.49 -4.67 117.00 117.08 1pp6 n LEU 3017Ca 0.00 -0.40 -0.10 0.00 -0.02 0.00 0.00 56.01 55.49 1pp6 n LEU 3017Cb 0.00 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1pp6 n LEU 3017CO 0.00 0.01 0.84 0.40 -1.22 0.00 0.00 177.39 177.42 1pp6 h ILE 3018N 0.00 1.25 0.00 -0.08 1.08 0.27 -1.40 117.51 118.63 1pp6 h ILE 3018Ca 0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 1pp6 h ILE 3018Cb 0.03 0.98 -0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1pp6 h ILE 3018CO 0.00 0.32 -0.02 -0.65 -0.69 0.00 0.00 178.15 177.12 1pp6 h PRO 3019N 0.61 -0.02 -0.86 2.37 0.11 -1.83 -2.37 132.00 130.00 1pp6 h PRO 3019Ca 0.13 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.35 1pp6 h PRO 3019Cb 0.40 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.44 1pp6 h PRO 3019CO 0.01 -0.01 0.50 0.77 -0.21 0.00 0.00 178.00 179.06 1pp6 h SER 3020N -0.02 0.71 -1.00 -2.05 0.02 -1.86 -1.21 113.55 108.14 1pp6 h SER 3020Ca -0.00 0.05 0.34 0.00 -0.84 0.00 0.00 61.79 61.34 1pp6 h SER 3020Cb 0.02 -0.08 -0.16 0.00 0.14 0.00 0.00 62.40 62.32 1pp6 h SER 3020CO -0.01 0.39 0.55 -1.28 -1.14 0.00 0.00 176.83 175.34 1pp6 h SER 3021N 0.81 0.44 1.69 3.07 0.87 -0.88 -0.68 113.55 118.88 1pp6 h SER 3021Ca 0.42 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1pp6 h SER 3021Cb 0.41 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1pp6 h SER 3021CO -0.26 -0.21 0.00 0.40 -0.53 0.00 0.00 176.83 176.23 1pp6 h ILE 3022N 0.24 0.00 -0.52 2.23 2.04 -0.71 -3.03 117.51 117.76 1pp6 h ILE 3022Ca 0.75 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 1pp6 h ILE 3022Cb 1.78 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 1pp6 h ILE 3022CO -0.65 0.00 0.17 -0.61 0.00 0.00 0.00 178.15 177.06 1pp6 h GLN 3023N 0.00 0.80 -0.76 2.37 5.75 -1.19 0.84 115.11 122.92 1pp6 h GLN 3023Ca 0.00 -0.17 0.12 0.00 -0.15 0.00 0.00 58.65 58.45 1pp6 h GLN 3023Cb 0.84 -0.12 -0.08 0.00 1.07 0.00 0.00 27.48 29.19 1pp6 h GLN 3023CO 0.00 0.73 0.36 0.28 -2.65 0.00 0.00 178.83 177.56 1pp6 h VAL 3024N 0.71 0.78 -0.11 2.39 2.07 -1.49 1.39 116.25 121.99 1pp6 h VAL 3024Ca 0.17 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1pp6 h VAL 3024Cb 0.26 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1pp6 h VAL 3024CO -0.01 0.11 -0.42 0.25 0.02 0.00 0.00 177.57 177.52 1pp6 h LEU 3025N 0.58 0.25 -0.57 2.57 5.85 -1.09 0.20 115.31 123.10 1pp6 h LEU 3025Ca 0.39 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.85 1pp6 h LEU 3025Cb 0.50 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1pp6 h LEU 3025CO -0.32 0.64 -0.69 0.50 -0.34 0.00 0.00 178.44 178.23 1pp6 h LYS 3026N 0.20 0.16 -0.01 1.25 3.11 0.51 -2.29 116.57 119.48 1pp6 h LYS 3026Ca 0.02 -0.13 -0.15 0.00 -2.81 0.00 0.00 60.65 57.58 1pp6 h LYS 3026Cb 0.83 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.09 1pp6 h LYS 3026CO 0.06 0.78 -0.56 0.35 -2.81 0.00 0.00 179.45 177.27 1pp6 h PHE 3027N 0.11 0.60 0.38 1.91 3.04 0.19 -3.31 116.94 119.86 1pp6 h PHE 3027Ca -0.02 -0.31 -0.02 0.00 3.98 0.00 0.00 57.97 61.60 1pp6 h PHE 3027Cb 1.22 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1pp6 h PHE 3027CO 0.02 1.12 -0.18 0.77 -2.02 0.00 0.00 178.31 178.02 1pp6 h SER 3028N -0.10 -0.43 -1.29 0.41 0.02 -0.99 -3.07 113.55 108.09 1pp6 h SER 3028Ca -0.07 -0.12 0.41 0.00 -0.84 0.00 0.00 61.79 61.18 1pp6 h SER 3028Cb 1.27 0.11 -0.12 0.00 0.14 0.00 0.00 62.40 63.80 1pp6 h SER 3028CO 0.11 -0.10 0.83 1.23 -1.14 0.00 0.00 176.83 177.76 1pp6 h GLY 3029N -0.79 1.26 -3.35 -3.77 0.00 -1.56 -1.87 103.07 92.99 1pp6 h GLY 3029Ca -0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1pp6 h GLY 3029CO 0.09 -0.36 -0.11 0.58 0.00 0.00 0.00 176.54 176.74 1pp6 n LYS 3030N -4.67 1.26 -2.70 4.80 2.85 -1.16 -3.98 118.16 114.56 1pp6 n LYS 3030Ca 0.36 -0.30 -0.07 0.00 -1.05 0.00 0.00 58.31 57.24 1pp6 n LYS 3030Cb 1.36 -1.32 0.11 0.00 -0.65 0.00 0.00 35.03 34.53 1pp6 n LYS 3030CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1pp6 n TYR 3031N 1.83 -2.45 -3.98 5.58 4.01 -0.70 -5.07 117.16 116.38 1pp6 n TYR 3031Ca 0.13 -1.90 -0.31 0.00 -0.16 0.00 0.00 57.90 55.66 1pp6 n TYR 3031Cb 0.61 1.59 -0.15 0.00 -0.31 0.00 0.00 39.34 41.08 1pp6 n TYR 3031CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1pp6 s LEU 3032N -2.95 2.73 -0.59 7.72 0.20 -1.26 -0.43 118.68 124.09 1pp6 s LEU 3032Ca 0.21 -1.17 -0.31 0.00 0.69 0.00 0.00 54.13 53.55 1pp6 s LEU 3032Cb 0.36 -1.28 -0.13 0.00 -0.43 0.00 0.00 46.19 44.71 1pp6 s LEU 3032CO -0.08 -0.21 2.42 0.29 -0.29 0.00 0.00 176.35 178.48 1pp6 n LYS 3033N 4.61 0.73 0.12 1.98 5.02 0.30 -4.77 118.16 126.16 1pp6 n LYS 3033Ca -0.13 0.10 -0.01 0.00 -2.02 0.00 0.00 58.31 56.25 1pp6 n LYS 3033Cb 0.44 -2.49 0.10 0.00 -0.02 0.00 0.00 35.03 33.06 1pp6 n LYS 3033CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1pp6 h LEU 3034N 14.65 0.00 0.00 -0.35 5.85 -1.83 -3.06 115.31 130.57 1pp6 h LEU 3034Ca -0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1pp6 h LEU 3034Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1pp6 h LEU 3034CO 1.18 0.67 0.00 -0.62 -0.34 0.00 0.00 178.44 179.33 1pp6 n GLU 3035N -3.54 -1.42 -1.21 1.25 -0.58 -1.26 -4.20 120.64 109.68 1pp6 n GLU 3035Ca -0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1pp6 n GLU 3035Cb 0.71 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.55 1pp6 n GLU 3035CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pp6 n GLN 3036N -1.67 -1.41 0.00 3.49 6.02 -1.26 -2.98 117.38 119.56 1pp6 n GLN 3036Ca 0.00 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 1pp6 n GLN 3036Cb 0.00 -4.90 0.00 0.00 1.02 0.00 0.00 30.24 26.36 1pp6 n GLN 3036CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1pp6 n ASP 3037N -0.76 0.00 -4.79 1.08 -0.08 -1.26 -4.92 116.55 105.82 1pp6 n ASP 3037Ca -0.07 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 52.98 1pp6 n ASP 3037Cb 0.46 -0.29 -0.05 0.00 2.34 0.00 0.00 41.12 43.58 1pp6 n ASP 3037CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1pp6 s LYS 3038N 0.00 2.43 -0.15 -0.67 1.02 -1.16 -5.13 119.74 116.09 1pp6 s LYS 3038Ca 0.00 -1.58 -0.08 0.00 0.02 0.00 0.00 55.97 54.33 1pp6 s LYS 3038Cb 0.00 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1pp6 s LYS 3038CO 0.00 -0.04 0.13 0.00 -0.92 0.00 0.00 175.35 174.52 1pp6 s ALA 3039N -2.47 3.77 -0.24 5.17 0.00 -1.26 -4.39 121.76 122.34 1pp6 s ALA 3039Ca 0.42 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.59 1pp6 s ALA 3039Cb -0.02 -2.01 0.08 0.00 0.00 0.00 0.00 23.12 21.17 1pp6 s ALA 3039CO 0.25 0.45 0.57 0.71 0.00 0.00 0.00 175.76 177.74 1pp6 s TYR 3040N -0.51 -0.92 -0.10 0.00 2.02 -1.16 -4.83 117.35 111.85 1pp6 s TYR 3040Ca 0.12 1.83 -0.29 0.00 -0.37 0.00 0.00 57.07 58.35 1pp6 s TYR 3040Cb -0.12 0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 41.91 1pp6 s TYR 3040CO 0.02 -0.48 1.50 0.12 -1.57 0.00 0.00 175.55 175.15 1pp6 s PHE 3041N 1.74 2.31 -1.13 2.71 2.19 -1.26 0.11 117.98 124.65 1pp6 s PHE 3041Ca -0.09 0.50 -0.22 0.00 0.33 0.00 0.00 56.93 57.45 1pp6 s PHE 3041Cb -0.07 -3.76 -0.02 0.00 -1.31 0.00 0.00 43.02 37.86 1pp6 s PHE 3041CO -0.17 -3.03 1.82 0.34 1.83 0.00 0.00 175.22 176.01 1pp6 s ASP 3042N 2.82 5.70 0.17 6.13 3.68 0.42 -4.77 116.67 130.83 1pp6 s ASP 3042Ca 0.66 -1.61 -0.14 0.00 2.13 0.00 0.00 52.55 53.59 1pp6 s ASP 3042Cb -0.29 -2.58 0.14 0.00 -1.45 0.00 0.00 42.92 38.74 1pp6 s ASP 3042CO 0.24 -2.32 1.73 -0.50 0.13 0.00 0.00 175.17 174.45 1pp6 h TRP 3043N 9.56 0.21 -0.50 -5.34 4.06 -1.92 0.20 115.95 122.21 1pp6 h TRP 3043Ca 0.24 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 61.09 1pp6 h TRP 3043Cb 0.95 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 1pp6 h TRP 3043CO 1.28 0.05 -0.18 -1.35 -3.56 0.00 0.00 178.44 174.67 1pp6 h PRO 3044N 0.27 1.01 -0.32 0.49 0.11 -1.98 0.13 132.00 131.72 1pp6 h PRO 3044Ca 0.22 -0.42 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1pp6 h PRO 3044Cb 0.25 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1pp6 h PRO 3044CO -0.25 1.10 0.10 0.78 -0.21 0.00 0.00 178.00 179.51 1pp6 h GLY 3045N 0.88 0.48 0.25 -0.55 0.00 -1.81 -2.36 103.07 99.96 1pp6 h GLY 3045Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1pp6 h GLY 3045CO 0.06 0.22 -0.03 -2.75 0.00 0.00 0.00 176.54 174.04 1pp6 h PHE 3046N 0.45 -0.09 0.00 5.60 3.57 -0.41 -3.17 116.94 122.89 1pp6 h PHE 3046Ca 0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1pp6 h PHE 3046Cb 0.14 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1pp6 h PHE 3046CO 0.00 0.49 0.13 1.17 -2.23 0.00 0.00 178.31 177.87 1pp6 n LYS 3047N -4.80 0.09 0.02 1.11 4.81 0.43 0.39 118.16 120.21 1pp6 n LYS 3047Ca -0.08 0.57 -0.20 0.00 -0.87 0.00 0.00 58.31 57.73 1pp6 n LYS 3047Cb 0.30 -1.93 -0.14 0.00 0.02 0.00 0.00 35.03 33.28 1pp6 n LYS 3047CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1pp6 h THR 3048N 0.00 0.76 -0.38 3.15 2.02 -1.49 -3.28 112.91 113.69 1pp6 h THR 3048Ca 0.00 -2.46 0.07 0.00 0.77 0.00 0.00 66.41 64.78 1pp6 h THR 3048Cb 0.26 2.57 -0.06 0.00 -1.74 0.00 0.00 68.15 69.18 1pp6 h THR 3048CO 0.00 0.83 0.03 0.00 0.37 0.00 0.00 175.52 176.75 1pp6 h ALA 3049N 0.24 0.38 0.00 6.16 0.00 -0.03 0.45 119.26 126.45 1pp6 h ALA 3049Ca -0.37 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1pp6 h ALA 3049Cb 2.04 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.99 1pp6 h ALA 3049CO 0.11 -0.37 -0.05 -0.84 0.00 0.00 0.00 179.25 178.10 1pp6 h ILE 3050N 0.14 0.09 0.05 0.00 3.07 -1.67 -2.43 117.51 116.76 1pp6 h ILE 3050Ca 0.19 -0.99 -0.00 0.00 1.55 0.00 0.00 64.86 65.60 1pp6 h ILE 3050Cb 0.25 1.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1pp6 h ILE 3050CO -0.29 0.05 -0.03 0.44 -1.05 0.00 0.00 178.15 177.27 1pp6 h ASP 3051N 0.00 -0.06 -0.01 2.16 5.19 -1.28 -3.18 116.42 119.23 1pp6 h ASP 3051Ca -0.00 -0.52 -0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1pp6 h ASP 3051Cb 0.91 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.43 1pp6 h ASP 3051CO 0.01 0.66 0.00 0.59 -3.12 0.00 0.00 179.24 177.37 1pp6 n ASN 3052N -4.76 1.52 -4.79 6.45 5.03 0.14 -4.82 115.26 114.03 1pp6 n ASN 3052Ca -0.07 -2.02 -0.39 0.00 0.87 0.00 0.00 54.58 52.97 1pp6 n ASN 3052Cb 0.28 -0.50 -0.06 0.00 -1.02 0.00 0.00 39.78 38.48 1pp6 n ASN 3052CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1pp6 s TYR 3053N -0.82 3.82 -0.02 3.10 5.04 -0.92 -4.99 117.35 122.57 1pp6 s TYR 3053Ca 0.01 1.37 0.08 0.00 -2.44 0.00 0.00 57.07 56.08 1pp6 s TYR 3053Cb 0.01 -2.59 -0.02 0.00 0.35 0.00 0.00 41.96 39.71 1pp6 s TYR 3053CO 0.00 0.54 -0.24 0.95 -1.34 0.00 0.00 175.55 175.45 1pp6 s THR 3054N -0.99 2.20 0.00 4.34 -4.23 -1.26 -5.02 115.64 110.68 1pp6 s THR 3054Ca 0.31 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1pp6 s THR 3054Cb -0.20 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1pp6 s THR 3054CO 0.21 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 1pp6 n GLY 3055N 2.34 3.08 0.44 3.99 0.00 -1.26 -4.84 105.19 108.94 1pp6 n GLY 3055Ca -0.16 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1pp6 n GLY 3055CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pp6 n GLU 3056N 0.96 0.32 0.17 1.61 4.07 -1.26 -2.63 120.64 123.89 1pp6 n GLU 3056Ca 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.20 1pp6 n GLU 3056Cb 0.00 -1.14 0.09 0.00 -0.06 0.00 0.00 31.44 30.33 1pp6 n GLU 3056CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1pp6 h ASP 3057N 0.59 0.00 -2.16 4.31 -0.00 -1.95 -3.45 116.42 113.76 1pp6 h ASP 3057Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 56.98 1pp6 h ASP 3057Cb 0.14 0.00 -0.26 0.00 -0.00 0.00 0.00 39.33 39.22 1pp6 h ASP 3057CO 0.00 0.09 -0.32 -0.22 -0.00 0.00 0.00 179.24 178.79 1pp6 s LEU 3058N -5.96 -0.83 0.22 2.28 0.20 -1.08 -3.22 118.68 110.29 1pp6 s LEU 3058Ca 0.04 1.00 0.09 0.00 0.69 0.00 0.00 54.13 55.95 1pp6 s LEU 3058Cb 0.07 1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 47.39 1pp6 s LEU 3058CO 0.72 -0.24 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.94 1pp6 s SER 3059N 2.69 4.41 0.04 3.68 0.15 -0.41 -4.83 113.70 119.42 1pp6 s SER 3059Ca 0.02 -0.60 -0.20 0.00 0.70 0.00 0.00 55.95 55.87 1pp6 s SER 3059Cb -0.13 -0.79 -0.06 0.00 -1.71 0.00 0.00 66.02 63.33 1pp6 s SER 3059CO -0.15 0.06 0.57 0.12 1.20 0.00 0.00 173.24 175.03 1pp6 s PHE 3060N -1.98 3.75 -0.03 3.44 5.36 -1.26 -2.00 117.98 125.26 1pp6 s PHE 3060Ca 0.28 1.23 -0.08 0.00 -0.96 0.00 0.00 56.93 57.39 1pp6 s PHE 3060Cb -0.08 -2.53 -0.03 0.00 -0.34 0.00 0.00 43.02 40.05 1pp6 s PHE 3060CO 0.17 0.50 -0.16 -3.47 -1.46 0.00 0.00 175.22 170.80 1pp6 n ASP 3061N 2.12 1.42 -3.54 6.13 -0.08 -1.13 -4.81 116.55 116.66 1pp6 n ASP 3061Ca -0.09 0.22 -0.11 0.00 -1.51 0.00 0.00 54.79 53.30 1pp6 n ASP 3061Cb 0.51 -0.52 -0.04 0.00 2.34 0.00 0.00 41.12 43.41 1pp6 n ASP 3061CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1pp6 s LYS 3062N -2.35 0.76 0.10 -0.67 2.20 -0.87 -5.02 119.74 113.89 1pp6 s LYS 3062Ca -0.13 -0.02 0.06 0.00 -0.36 0.00 0.00 55.97 55.51 1pp6 s LYS 3062Cb 0.02 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1pp6 s LYS 3062CO 0.20 -0.28 -0.14 -0.47 -0.36 0.00 0.00 175.35 174.29 1pp6 s TYR 3063N -1.94 1.35 -0.16 4.03 5.04 -1.26 -0.07 117.35 124.34 1pp6 s TYR 3063Ca -0.00 -0.52 -0.28 0.00 -2.44 0.00 0.00 57.07 53.82 1pp6 s TYR 3063Cb -0.01 -0.72 0.07 0.00 0.35 0.00 0.00 41.96 41.65 1pp6 s TYR 3063CO -0.02 0.11 0.73 0.34 -1.34 0.00 0.00 175.55 175.37 1pp6 s ASP 3064N -2.20 -0.68 0.06 4.32 -1.08 0.13 -4.97 116.67 112.25 1pp6 s ASP 3064Ca 0.05 1.03 0.04 0.00 -0.52 0.00 0.00 52.55 53.15 1pp6 s ASP 3064Cb -0.07 0.95 -0.03 0.00 -1.46 0.00 0.00 42.92 42.32 1pp6 s ASP 3064CO 0.03 -0.42 -0.12 -1.58 0.52 0.00 0.00 175.17 173.60 1pp6 s GLN 3065N -0.44 0.71 0.18 4.34 0.74 -1.26 -0.77 119.66 123.16 1pp6 s GLN 3065Ca -0.05 -0.89 -0.16 0.00 0.05 0.00 0.00 55.36 54.30 1pp6 s GLN 3065Cb -0.02 -0.61 0.02 0.00 1.10 0.00 0.00 33.01 33.50 1pp6 s GLN 3065CO 0.05 0.13 0.48 0.45 -0.55 0.00 0.00 175.29 175.85 1pp6 s SER 3066N -1.72 -0.21 0.06 6.67 0.15 0.67 -4.99 113.70 114.33 1pp6 s SER 3066Ca -0.05 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.04 1pp6 s SER 3066Cb -0.10 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1pp6 s SER 3066CO 0.01 -1.01 0.06 -0.89 1.20 0.00 0.00 173.24 172.61 1pp6 s THR 3067N -3.88 0.18 -0.49 6.45 2.01 -1.26 -0.09 115.64 118.57 1pp6 s THR 3067Ca 0.10 -1.49 0.07 0.00 0.31 0.00 0.00 61.69 60.68 1pp6 s THR 3067Cb -0.00 -1.36 0.27 0.00 0.01 0.00 0.00 72.50 71.41 1pp6 s THR 3067CO -0.03 -0.83 0.65 -0.38 -0.69 0.00 0.00 174.62 173.35 1pp6 n ILE 3068N 0.15 0.70 0.00 1.82 2.08 0.14 -4.95 119.36 119.31 1pp6 n ILE 3068Ca -0.15 -4.61 0.00 0.00 0.56 0.00 0.00 62.75 58.55 1pp6 n ILE 3068Cb 0.61 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.71 1pp6 n ILE 3068CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1pp6 n ASN 3069N 0.97 0.00 -4.52 4.38 3.02 -1.26 -3.21 115.26 114.64 1pp6 n ASN 3069Ca 0.25 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.43 1pp6 n ASN 3069Cb 0.49 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.56 1pp6 n ASN 3069CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1pp6 n GLN 3070N 0.00 0.42 -4.34 3.52 -0.06 -1.26 -4.50 117.38 111.16 1pp6 n GLN 3070Ca 0.00 -0.03 -0.20 0.00 -2.00 0.00 0.00 57.00 54.77 1pp6 n GLN 3070Cb 0.00 -2.30 -0.08 0.00 -4.06 0.00 0.00 30.24 23.79 1pp6 n GLN 3070CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1pp6 s GLN 3071N 8.65 1.72 -0.64 3.69 -2.07 0.14 -4.96 119.66 126.19 1pp6 s GLN 3071Ca 1.20 -2.00 -0.03 0.00 -1.82 0.00 0.00 55.36 52.71 1pp6 s GLN 3071Cb -0.79 0.05 0.17 0.00 -1.09 0.00 0.00 33.01 31.34 1pp6 s GLN 3071CO 0.39 -0.56 0.46 -1.12 -1.32 0.00 0.00 175.29 173.15 1pp6 s SER 3072N -3.41 5.27 0.00 12.60 0.01 -1.26 0.23 113.70 127.15 1pp6 s SER 3072Ca 0.36 -2.91 0.00 0.00 1.31 0.00 0.00 55.95 54.71 1pp6 s SER 3072Cb 0.03 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1pp6 s SER 3072CO 0.22 -0.36 0.00 0.00 0.41 0.00 0.00 173.24 173.51 1pp6 n GLN 3073N 3.42 1.69 -3.83 12.44 10.64 -1.25 -4.93 117.38 135.55 1pp6 n GLN 3073Ca 0.09 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.90 1pp6 n GLN 3073Cb 0.38 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.64 1pp6 n GLN 3073CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1pp6 s GLU 3074N -1.90 3.80 0.00 2.61 2.12 -1.26 -4.52 118.70 119.55 1pp6 s GLU 3074Ca 0.00 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1pp6 s GLU 3074Cb 0.00 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1pp6 s GLU 3074CO 0.00 -0.03 0.58 0.28 -0.54 0.00 0.00 175.26 175.54 1pp6 n VAL 3075N 4.48 0.00 0.33 3.70 0.31 -1.26 0.12 118.33 126.01 1pp6 n VAL 3075Ca -0.16 0.97 0.21 0.00 -0.01 0.00 0.00 64.34 65.35 1pp6 n VAL 3075Cb 0.52 -1.37 1.11 0.00 -0.91 0.00 0.00 33.84 33.19 1pp6 n VAL 3075CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1pp6 h GLY 3076N 0.00 0.00 1.09 2.92 0.00 -1.87 -0.33 103.07 104.89 1pp6 h GLY 3076Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1pp6 h GLY 3076CO 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.79 1pp6 h ALA 3077N 1.92 0.24 -0.78 3.60 0.00 -0.84 -2.99 119.26 120.41 1pp6 h ALA 3077Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1pp6 h ALA 3077Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1pp6 h ALA 3077CO -0.00 0.59 0.44 1.98 0.00 0.00 0.00 179.25 182.27 1pp6 h MET 3078N 0.38 1.07 -0.54 0.00 -1.53 0.26 -1.00 114.93 113.58 1pp6 h MET 3078Ca -0.06 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.08 1pp6 h MET 3078Cb 1.39 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 32.22 1pp6 h MET 3078CO 0.15 0.78 0.00 0.28 0.14 0.00 0.00 176.91 178.26 1pp6 n VAL 3079N -4.45 0.05 -0.07 -5.77 0.31 -0.53 -1.55 118.33 106.32 1pp6 n VAL 3079Ca 0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.28 1pp6 n VAL 3079Cb 0.08 -0.24 -0.06 0.00 -0.91 0.00 0.00 33.84 32.71 1pp6 n VAL 3079CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1pp6 n ASP 3080N 0.41 1.96 -0.04 4.52 8.00 -0.38 -4.07 116.55 126.95 1pp6 n ASP 3080Ca 0.00 0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.54 1pp6 n ASP 3080Cb 0.10 -0.31 0.26 0.00 -0.02 0.00 0.00 41.12 41.14 1pp6 n ASP 3080CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1pp6 h LYS 3081N -0.26 0.62 -0.00 -1.24 1.57 -1.37 -1.37 116.57 114.51 1pp6 h LYS 3081Ca -0.32 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.16 1pp6 h LYS 3081Cb 1.38 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1pp6 h LYS 3081CO -0.13 0.62 -0.76 0.97 -0.57 0.00 0.00 179.45 179.58 1pp6 h ILE 3082N 0.59 1.52 0.04 1.86 2.10 -1.76 -2.80 117.51 119.05 1pp6 h ILE 3082Ca 0.13 -2.53 -0.25 0.00 1.08 0.00 0.00 64.86 63.29 1pp6 h ILE 3082Cb 0.34 2.37 -0.02 0.00 -1.09 0.00 0.00 36.82 38.42 1pp6 h ILE 3082CO 0.01 0.73 -1.25 0.00 -1.08 0.00 0.00 178.15 176.56 1pp6 h ALA 3083N 1.19 0.38 0.31 0.18 0.00 -1.64 -3.16 119.26 116.52 1pp6 h ALA 3083Ca -0.01 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.84 1pp6 h ALA 3083Cb 1.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1pp6 h ALA 3083CO 0.10 1.25 -0.15 -0.22 0.00 0.00 0.00 179.25 180.24 1pp6 h LYS 3084N 0.02 -0.40 -0.34 0.00 3.64 -1.29 -1.28 116.57 116.92 1pp6 h LYS 3084Ca -0.11 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1pp6 h LYS 3084Cb 1.88 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.73 1pp6 h LYS 3084CO 0.14 -0.07 -0.10 0.35 -2.27 0.00 0.00 179.45 177.50 1pp6 h PHE 3085N -0.86 -0.22 -0.87 1.91 3.57 -1.66 1.86 116.94 120.67 1pp6 h PHE 3085Ca -0.04 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1pp6 h PHE 3085Cb 0.52 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 1pp6 h PHE 3085CO 0.04 -0.17 0.57 1.25 -2.23 0.00 0.00 178.31 177.77 1pp6 h LEU 3086N -0.02 0.89 -0.43 0.59 5.85 -1.61 1.81 115.31 122.39 1pp6 h LEU 3086Ca 0.16 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.74 1pp6 h LEU 3086Cb 0.27 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1pp6 h LEU 3086CO -0.36 0.59 -0.31 -0.74 -0.34 0.00 0.00 178.44 177.29 1pp6 h HIS 3087N 1.02 1.14 -0.05 1.25 2.76 0.59 -2.69 115.15 119.17 1pp6 h HIS 3087Ca 0.36 -0.31 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 1pp6 h HIS 3087Cb 0.13 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.84 1pp6 h HIS 3087CO -0.00 1.14 -0.20 -0.44 -1.30 0.00 0.00 177.93 177.13 1pp6 h ASP 3088N 0.81 0.27 -0.46 3.26 3.45 0.45 -2.34 116.42 121.85 1pp6 h ASP 3088Ca 0.08 -0.64 0.02 0.00 0.43 0.00 0.00 57.03 56.92 1pp6 h ASP 3088Cb 0.90 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.56 1pp6 h ASP 3088CO 0.08 0.86 0.28 0.00 -1.57 0.00 0.00 179.24 178.90 1pp6 h ALA 3089N 0.41 0.58 -0.23 3.45 0.00 0.27 -3.21 119.26 120.54 1pp6 h ALA 3089Ca -0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1pp6 h ALA 3089Cb 0.85 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.36 1pp6 h ALA 3089CO 0.04 -0.02 -0.57 1.19 0.00 0.00 0.00 179.25 179.90 1pp6 n PHE 3090N -4.81 0.83 -0.19 0.00 3.72 -1.02 -4.83 117.46 111.16 1pp6 n PHE 3090Ca 0.02 -1.72 0.15 0.00 -0.05 0.00 0.00 57.45 55.85 1pp6 n PHE 3090Cb 0.05 -0.29 0.23 0.00 -0.94 0.00 0.00 39.48 38.53 1pp6 n PHE 3090CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pp6 n ALA 3091N -1.00 0.51 0.60 4.37 0.00 -0.88 0.21 120.51 124.32 1pp6 n ALA 3091Ca 0.27 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1pp6 n ALA 3091Cb 0.78 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1pp6 n ALA 3091CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pp6 n ALA 3092N -2.34 1.84 0.01 0.00 0.00 -1.26 -4.18 120.51 114.57 1pp6 n ALA 3092Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1pp6 n ALA 3092Cb 0.55 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1pp6 n ALA 3092CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pp6 n VAL 3093N 0.15 0.00 -1.81 0.00 0.31 0.57 -5.00 118.33 112.54 1pp6 n VAL 3093Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1pp6 n VAL 3093Cb 0.12 -0.01 0.05 0.00 -0.91 0.00 0.00 33.84 33.09 1pp6 n VAL 3093CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pp6 s VAL 3094N -1.06 2.17 -0.38 2.52 1.01 -1.24 -4.90 120.40 118.52 1pp6 s VAL 3094Ca 0.00 0.11 0.12 0.00 0.00 0.00 0.00 61.98 62.21 1pp6 s VAL 3094Cb 0.00 -3.05 0.39 0.00 0.00 0.00 0.00 36.38 33.72 1pp6 s VAL 3094CO 0.00 -0.02 1.01 0.47 0.00 0.00 0.00 175.10 176.56 1pp6 n ASP 3095N -1.61 -0.20 0.00 3.32 8.00 -1.26 -4.72 116.55 120.08 1pp6 n ASP 3095Ca 0.14 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.71 1pp6 n ASP 3095Cb 0.48 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 1pp6 n ASP 3095CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1pp6 n LEU 3096N -0.00 0.00 0.00 0.64 0.00 -1.26 -4.61 117.00 111.77 1pp6 n LEU 3096Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.11 1pp6 n LEU 3096Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.18 1pp6 n LEU 3096CO 0.13 0.00 0.00 -0.24 0.00 0.00 0.00 177.39 177.28 1pp6 n SER 3097N -0.29 0.00 -0.01 1.96 2.88 -1.26 -2.37 113.62 114.53 1pp6 n SER 3097Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1pp6 n SER 3097Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 1pp6 n SER 3097CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1pp6 n LYS 3098N 0.00 1.01 -0.05 -1.46 4.81 -1.26 -3.47 118.16 117.74 1pp6 n LYS 3098Ca 0.00 -0.02 -0.02 0.00 -0.87 0.00 0.00 58.31 57.41 1pp6 n LYS 3098Cb 0.00 -1.06 -0.01 0.00 0.02 0.00 0.00 35.03 33.98 1pp6 n LYS 3098CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1pp6 h LEU 3099N 0.03 0.00 -2.15 3.14 5.85 -1.78 -3.15 115.31 117.25 1pp6 h LEU 3099Ca 0.00 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1pp6 h LEU 3099Cb 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1pp6 h LEU 3099CO 0.00 0.57 0.30 0.00 -0.34 0.00 0.00 178.44 178.97 1pp6 h ALA 3100N -0.94 1.73 0.70 1.25 0.00 -1.84 -2.16 119.26 118.01 1pp6 h ALA 3100Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1pp6 h ALA 3100Cb 0.13 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pp6 h ALA 3100CO -0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 179.25 178.51 1pp6 h ALA 3101N 1.59 -0.98 -0.69 0.00 0.00 -1.65 -2.83 119.26 114.71 1pp6 h ALA 3101Ca 0.09 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1pp6 h ALA 3101Cb 0.69 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1pp6 h ALA 3101CO -0.00 -0.91 0.31 0.82 0.00 0.00 0.00 179.25 179.47 1pp6 h ILE 3102N -1.20 0.79 -0.11 0.00 2.04 -1.35 -0.53 117.51 117.15 1pp6 h ILE 3102Ca -0.10 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1pp6 h ILE 3102Cb 0.72 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1pp6 h ILE 3102CO 0.16 0.09 0.00 -0.38 0.00 0.00 0.00 178.15 178.02 1pp6 n ILE 3103N -4.92 0.38 0.02 -0.67 5.41 -1.09 -3.64 119.36 114.85 1pp6 n ILE 3103Ca 0.11 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1pp6 n ILE 3103Cb 0.30 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 1pp6 n ILE 3103CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1pp6 n LEU 3104N 0.03 0.14 -0.35 1.39 7.94 -0.36 -4.63 117.00 121.17 1pp6 n LEU 3104Ca 0.05 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1pp6 n LEU 3104Cb 0.31 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1pp6 n LEU 3104CO 0.05 -0.30 0.27 0.59 -1.11 0.00 0.00 177.39 176.88 1pp6 n ASN 3105N -2.97 0.57 -0.09 1.96 3.02 -0.35 -1.05 115.26 116.36 1pp6 n ASN 3105Ca 0.00 -1.65 0.02 0.00 -0.03 0.00 0.00 54.58 52.91 1pp6 n ASN 3105Cb 0.25 -0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 1pp6 n ASN 3105CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1pp6 n THR 3106N -0.09 0.67 0.00 3.41 -2.24 -1.24 -4.29 114.28 110.50 1pp6 n THR 3106Ca 0.00 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1pp6 n THR 3106Cb 0.14 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1pp6 n THR 3106CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1pp6 n PHE 3107N -0.42 0.00 0.23 4.78 3.72 -0.36 -4.33 117.46 121.08 1pp6 n PHE 3107Ca 0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.54 1pp6 n PHE 3107Cb 0.47 0.14 0.44 0.00 -0.94 0.00 0.00 39.48 39.59 1pp6 n PHE 3107CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1pp6 h THR 3108N 0.00 0.35 -0.55 4.37 2.02 -1.38 -2.74 112.91 114.99 1pp6 h THR 3108Ca 0.00 -1.04 -0.30 0.00 0.77 0.00 0.00 66.41 65.84 1pp6 h THR 3108Cb 0.51 1.79 -0.18 0.00 -1.74 0.00 0.00 68.15 68.53 1pp6 h THR 3108CO 0.00 0.15 0.10 0.59 0.37 0.00 0.00 175.52 176.74 1pp6 n ASN 3109N -3.25 3.08 0.29 4.18 4.13 -1.26 -3.37 115.26 119.05 1pp6 n ASN 3109Ca 0.01 -3.75 0.14 0.00 1.68 0.00 0.00 54.58 52.65 1pp6 n ASN 3109Cb 0.44 -0.69 0.86 0.00 -1.54 0.00 0.00 39.78 38.84 1pp6 n ASN 3109CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1pp6 h LEU 3110N 1.09 0.00 0.00 3.41 3.38 -1.68 -3.13 115.31 118.39 1pp6 h LEU 3110Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1pp6 h LEU 3110Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1pp6 h LEU 3110CO 0.63 0.01 0.00 1.21 0.09 0.00 0.00 178.44 180.38 1pp6 n GLU 3111N -3.94 0.00 0.29 1.13 2.13 -1.26 0.17 120.64 119.15 1pp6 n GLU 3111Ca -0.03 0.14 0.06 0.00 0.66 0.00 0.00 57.16 57.98 1pp6 n GLU 3111Cb 0.10 -0.85 0.31 0.00 0.27 0.00 0.00 31.44 31.26 1pp6 n GLU 3111CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1pp6 h GLU 3112N 0.00 0.00 -2.01 5.31 4.11 -1.96 -2.40 114.58 117.63 1pp6 h GLU 3112Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1pp6 h GLU 3112Cb 0.00 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.86 1pp6 h GLU 3112CO 0.00 0.00 -1.12 -0.85 0.07 0.00 0.00 179.01 177.11 1pp6 n GLU 3113N -2.46 0.90 -0.32 1.06 0.28 -0.60 -4.84 120.64 114.67 1pp6 n GLU 3113Ca -0.01 -3.35 0.08 0.00 -0.16 0.00 0.00 57.16 53.72 1pp6 n GLU 3113Cb 0.68 -1.44 0.24 0.00 1.43 0.00 0.00 31.44 32.35 1pp6 n GLU 3113CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1pp6 n SER 3114N 0.97 3.56 -2.69 -1.84 3.41 0.44 -4.42 113.62 113.04 1pp6 n SER 3114Ca 0.23 -2.15 -0.08 0.00 -0.26 0.00 0.00 58.87 56.61 1pp6 n SER 3114Cb 0.57 -0.38 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1pp6 n SER 3114CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pp6 n SER 3115N 0.82 -0.76 -0.59 4.04 3.41 -1.26 -4.88 113.62 114.39 1pp6 n SER 3115Ca 0.18 -2.57 0.10 0.00 -0.26 0.00 0.00 58.87 56.33 1pp6 n SER 3115Cb 0.59 0.50 0.35 0.00 -0.26 0.00 0.00 64.21 65.38 1pp6 n SER 3115CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pp6 n SER 3116N -0.40 1.77 0.00 4.04 7.64 -1.26 -4.92 113.62 120.50 1pp6 n SER 3116Ca 0.01 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.14 1pp6 n SER 3116Cb 0.84 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1pp6 n SER 3116CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pp6 n GLY 3117N 1.14 0.75 0.00 0.23 0.00 -1.26 -3.89 105.19 102.16 1pp6 n GLY 3117Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1pp6 n GLY 3117CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pp6 n PHE 3118N -2.24 0.00 -3.85 1.61 1.16 -1.23 -3.81 117.46 109.10 1pp6 n PHE 3118Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.25 1pp6 n PHE 3118Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 1pp6 n PHE 3118CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pp6 s LEU 3119N -0.00 4.82 -0.38 5.98 1.43 -1.26 -2.17 118.68 127.09 1pp6 s LEU 3119Ca 0.00 -2.78 -0.19 0.00 -1.03 0.00 0.00 54.13 50.14 1pp6 s LEU 3119Cb 0.00 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1pp6 s LEU 3119CO 0.00 -0.33 0.55 -1.58 0.23 0.00 0.00 176.35 175.22 1pp6 s GLN 3120N 0.05 3.51 0.47 1.70 2.00 -0.71 -4.69 119.66 121.99 1pp6 s GLN 3120Ca 0.16 -0.23 -0.05 0.00 -2.00 0.00 0.00 55.36 53.24 1pp6 s GLN 3120Cb -0.23 -3.85 -0.03 0.00 0.80 0.00 0.00 33.01 29.70 1pp6 s GLN 3120CO -0.03 -0.75 0.77 0.12 -0.50 0.00 0.00 175.29 174.90 1pp6 s PHE 3121N 2.50 3.54 0.14 1.67 5.36 -1.26 -1.78 117.98 128.15 1pp6 s PHE 3121Ca 0.20 0.75 -0.24 0.00 -0.96 0.00 0.00 56.93 56.68 1pp6 s PHE 3121Cb -0.15 -2.28 0.08 0.00 -0.34 0.00 0.00 43.02 40.32 1pp6 s PHE 3121CO 0.15 -0.27 1.06 1.21 -1.46 0.00 0.00 175.22 175.91 1pp6 s ASN 3122N -4.11 -0.05 0.00 6.13 2.47 0.29 -4.92 114.94 114.75 1pp6 s ASN 3122Ca 0.47 -0.52 0.00 0.00 0.42 0.00 0.00 52.86 53.23 1pp6 s ASN 3122Cb -0.10 0.44 0.00 0.00 -1.45 0.00 0.00 41.25 40.14 1pp6 s ASN 3122CO 0.44 -0.85 0.00 1.07 -3.72 0.00 0.00 177.10 174.04 1pp6 n THR 3123N -0.63 0.00 -3.43 -5.21 5.66 -1.26 0.16 114.28 109.57 1pp6 n THR 3123Ca -0.04 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.53 1pp6 n THR 3123Cb 0.60 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.29 1pp6 n THR 3123CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1pp6 s ASN 3124N 0.00 6.10 0.00 1.09 2.47 -1.11 -4.92 114.94 118.56 1pp6 s ASN 3124Ca 0.00 -1.16 0.00 0.00 0.42 0.00 0.00 52.86 52.12 1pp6 s ASN 3124Cb 0.00 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.64 1pp6 s ASN 3124CO 0.00 -0.56 0.46 0.59 -3.72 0.00 0.00 177.10 173.88 1pp6 n ASN 3125N 5.17 0.00 0.01 -4.21 4.13 -1.26 -0.52 115.26 118.58 1pp6 n ASN 3125Ca -0.12 0.01 0.11 0.00 1.68 0.00 0.00 54.58 56.26 1pp6 n ASN 3125Cb 0.45 -0.01 -0.04 0.00 -1.54 0.00 0.00 39.78 38.64 1pp6 n ASN 3125CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1pp6 n VAL 3126N -0.96 0.04 -0.08 2.41 0.31 -1.26 -4.30 118.33 114.49 1pp6 n VAL 3126Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1pp6 n VAL 3126Cb 0.00 0.57 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1pp6 n VAL 3126CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1pp6 n LYS 3127N -1.71 2.93 -2.38 5.55 2.85 0.33 -5.02 118.16 120.70 1pp6 n LYS 3127Ca 0.03 -0.18 -0.18 0.00 -1.05 0.00 0.00 58.31 56.92 1pp6 n LYS 3127Cb 0.39 -0.63 -0.01 0.00 -0.65 0.00 0.00 35.03 34.13 1pp6 n LYS 3127CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1pp6 n LYS 3128N -0.47 -1.64 -4.60 -1.58 5.02 -0.95 -5.00 118.16 108.94 1pp6 n LYS 3128Ca 0.00 0.88 -0.27 0.00 -2.02 0.00 0.00 58.31 56.90 1pp6 n LYS 3128Cb 0.02 -5.41 -0.10 0.00 -0.02 0.00 0.00 35.03 29.52 1pp6 n LYS 3128CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1pp6 s ASN 3129N -2.21 3.39 0.01 4.39 0.02 -1.25 -2.61 114.94 116.68 1pp6 s ASN 3129Ca 0.02 -1.50 0.01 0.00 -1.02 0.00 0.00 52.86 50.37 1pp6 s ASN 3129Cb -0.01 0.08 -0.01 0.00 0.02 0.00 0.00 41.25 41.33 1pp6 s ASN 3129CO 0.02 -0.68 -0.04 -0.44 0.02 0.00 0.00 177.10 175.99 1pp6 s SER 3130N -3.68 0.39 -0.12 -1.22 0.01 0.57 -2.76 113.70 106.89 1pp6 s SER 3130Ca 0.26 -0.19 -0.08 0.00 1.31 0.00 0.00 55.95 57.25 1pp6 s SER 3130Cb 0.06 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1pp6 s SER 3130CO 0.13 -0.05 0.17 -0.44 0.41 0.00 0.00 173.24 173.46 1pp6 s SER 3131N -0.49 6.42 -0.43 2.44 0.01 0.42 -2.70 113.70 119.37 1pp6 s SER 3131Ca -0.03 0.50 0.07 0.00 1.31 0.00 0.00 55.95 57.79 1pp6 s SER 3131Cb -0.04 -2.09 0.22 0.00 0.21 0.00 0.00 66.02 64.33 1pp6 s SER 3131CO -0.00 0.38 0.58 0.79 0.41 0.00 0.00 173.24 175.39 1pp6 n TRP 3132N 2.13 -1.50 -2.29 2.43 5.03 -0.54 0.11 117.44 122.81 1pp6 n TRP 3132Ca -0.19 -2.88 -0.41 0.00 3.03 0.00 0.00 57.50 57.04 1pp6 n TRP 3132Cb 0.54 0.39 -0.03 0.00 -1.03 0.00 0.00 31.31 31.19 1pp6 n TRP 3132CO 0.00 0.00 0.00 -2.00 -0.03 0.00 0.00 177.69 175.66 1pp6 s GLU 3133N -0.28 4.42 -0.03 -0.99 2.12 -0.74 -2.93 118.70 120.28 1pp6 s GLU 3133Ca 0.33 1.96 0.05 0.00 0.36 0.00 0.00 54.97 57.67 1pp6 s GLU 3133Cb 0.14 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1pp6 s GLU 3133CO -0.15 -0.23 -0.17 -0.47 -0.54 0.00 0.00 175.26 173.70 1pp6 s TYR 3134N 0.37 1.58 0.40 5.30 5.04 -0.64 -1.74 117.35 127.65 1pp6 s TYR 3134Ca 0.57 -0.36 0.08 0.00 -2.44 0.00 0.00 57.07 54.91 1pp6 s TYR 3134Cb -0.34 -1.04 -0.03 0.00 0.35 0.00 0.00 41.96 40.90 1pp6 s TYR 3134CO 0.35 -0.08 0.32 1.03 -1.34 0.00 0.00 175.55 175.83 1pp6 s ARG 3135N -0.21 2.51 -0.23 4.97 3.00 -0.92 -0.36 118.95 127.70 1pp6 s ARG 3135Ca 0.02 -1.54 -0.33 0.00 0.00 0.00 0.00 55.73 53.88 1pp6 s ARG 3135Cb -0.09 -2.32 0.16 0.00 0.00 0.00 0.00 34.95 32.70 1pp6 s ARG 3135CO 0.00 -0.12 1.25 0.14 0.00 0.00 0.00 175.30 176.58 1pp6 s VAL 3136N -2.46 0.00 -0.43 3.52 -7.23 -1.07 -3.83 120.40 108.90 1pp6 s VAL 3136Ca 0.45 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.69 1pp6 s VAL 3136Cb -0.03 -1.00 0.23 0.00 0.56 0.00 0.00 36.38 36.14 1pp6 s VAL 3136CO 0.27 0.00 0.61 -0.11 -0.31 0.00 0.00 175.10 175.55 1pp6 n LEU 3137N 0.26 -1.16 -4.72 1.32 0.00 -1.23 -2.15 117.00 109.33 1pp6 n LEU 3137Ca -0.01 -4.08 -0.39 0.00 0.00 0.00 0.00 56.01 51.54 1pp6 n LEU 3137Cb 0.58 0.69 0.04 0.00 0.00 0.00 0.00 43.42 44.73 1pp6 n LEU 3137CO 0.09 2.00 0.90 0.49 0.00 0.00 0.00 177.39 180.87 1pp6 n PHE 3138N 1.91 2.08 -3.32 1.96 3.72 -0.98 -3.57 117.46 119.26 1pp6 n PHE 3138Ca 0.19 0.45 -0.11 0.00 -0.05 0.00 0.00 57.45 57.93 1pp6 n PHE 3138Cb 0.55 -2.34 -0.06 0.00 -0.94 0.00 0.00 39.48 36.69 1pp6 n PHE 3138CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1pp6 s SER 3139N -0.85 0.49 0.38 4.37 0.01 -0.75 0.11 113.70 117.47 1pp6 s SER 3139Ca 0.69 -0.76 0.06 0.00 1.31 0.00 0.00 55.95 57.26 1pp6 s SER 3139Cb -0.44 1.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.80 1pp6 s SER 3139CO 0.51 -0.32 0.53 0.68 0.41 0.00 0.00 173.24 175.06 1pp6 s VAL 3140N 2.18 3.71 0.72 3.43 -7.23 -1.21 -3.26 120.40 118.75 1pp6 s VAL 3140Ca 0.12 -0.93 -0.11 0.00 -1.81 0.00 0.00 61.98 59.25 1pp6 s VAL 3140Cb -0.12 -3.29 0.03 0.00 0.56 0.00 0.00 36.38 33.55 1pp6 s VAL 3140CO -0.21 -0.12 1.07 -2.84 -0.31 0.00 0.00 175.10 172.69 1pp6 s PRO 3141N -4.29 2.67 0.12 4.82 0.02 -1.26 -0.87 135.00 136.22 1pp6 s PRO 3141Ca 0.49 1.07 0.20 0.00 0.02 0.00 0.00 61.00 62.77 1pp6 s PRO 3141Cb -0.10 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 1pp6 s PRO 3141CO 0.33 -1.31 0.91 0.34 -0.33 0.00 0.00 177.00 176.93 1pp6 n PHE 3142N -3.22 0.94 0.00 6.54 7.35 -1.23 -4.65 117.46 123.20 1pp6 n PHE 3142Ca 0.08 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 1pp6 n PHE 3142Cb 0.53 -1.01 0.00 0.00 0.35 0.00 0.00 39.48 39.35 1pp6 n PHE 3142CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pp6 n GLY 3143N 1.30 3.26 0.00 7.13 0.00 -1.26 -4.84 105.19 110.78 1pp6 n GLY 3143Ca -0.05 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1pp6 n GLY 3143CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pp6 n ASP 3144N 0.00 0.00 -0.29 1.61 8.00 -1.26 -0.16 116.55 124.45 1pp6 n ASP 3144Ca 0.00 0.06 0.12 0.00 0.71 0.00 0.00 54.79 55.68 1pp6 n ASP 3144Cb 0.00 -0.06 0.56 0.00 -0.02 0.00 0.00 41.12 41.60 1pp6 n ASP 3144CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1pp6 n ASN 3145N -0.94 0.89 -2.69 -2.24 0.23 -1.26 -4.11 115.26 105.14 1pp6 n ASN 3145Ca 0.00 -1.46 -0.03 0.00 -0.53 0.00 0.00 54.58 52.56 1pp6 n ASN 3145Cb 0.03 -0.03 0.03 0.00 -2.08 0.00 0.00 39.78 37.72 1pp6 n ASN 3145CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pp6 n ALA 3146N -0.24 -3.36 -0.13 -2.53 0.00 0.78 -5.08 120.51 109.94 1pp6 n ALA 3146Ca 0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1pp6 n ALA 3146Cb 0.23 -2.89 -0.02 0.00 0.00 0.00 0.00 19.45 16.76 1pp6 n ALA 3146CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pp6 h PRO 3147N 4.34 0.80 0.00 0.00 0.13 -1.70 -3.22 132.00 132.35 1pp6 h PRO 3147Ca 0.00 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1pp6 h PRO 3147Cb 1.15 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1pp6 h PRO 3147CO -0.08 0.96 0.00 0.43 -0.23 0.00 0.00 178.00 179.07 1pp6 n SER 3148N -4.28 0.00 -4.60 1.44 7.64 -1.26 -4.77 113.62 107.78 1pp6 n SER 3148Ca -0.01 -0.82 -0.25 0.00 1.01 0.00 0.00 58.87 58.80 1pp6 n SER 3148Cb 0.40 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.51 1pp6 n SER 3148CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1pp6 s TYR 3149N -2.00 2.50 0.19 1.43 1.51 -1.22 0.12 117.35 119.89 1pp6 s TYR 3149Ca 0.18 -0.44 -0.24 0.00 -1.01 0.00 0.00 57.07 55.56 1pp6 s TYR 3149Cb 0.08 -1.43 0.05 0.00 -0.11 0.00 0.00 41.96 40.55 1pp6 s TYR 3149CO 0.14 0.52 0.83 -0.59 -1.11 0.00 0.00 175.55 175.34 1pp6 s PHE 3150N -2.54 -0.21 0.29 2.71 -0.12 -0.38 -3.52 117.98 114.21 1pp6 s PHE 3150Ca 0.34 -0.13 0.07 0.00 -0.05 0.00 0.00 56.93 57.16 1pp6 s PHE 3150Cb 0.00 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 43.01 1pp6 s PHE 3150CO 0.18 -0.97 0.22 0.71 -0.05 0.00 0.00 175.22 175.32 1pp6 s TYR 3151N -3.56 3.01 -0.06 3.49 2.02 -0.05 -2.14 117.35 120.06 1pp6 s TYR 3151Ca 0.10 -0.19 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1pp6 s TYR 3151Cb -0.03 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1pp6 s TYR 3151CO 0.02 0.40 0.16 -1.12 -1.57 0.00 0.00 175.55 173.44 1pp6 s SER 3152N -3.89 -0.16 -0.30 2.29 0.01 -1.04 -3.33 113.70 107.27 1pp6 s SER 3152Ca 0.36 0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.98 1pp6 s SER 3152Cb -0.07 0.31 0.08 0.00 0.21 0.00 0.00 66.02 66.55 1pp6 s SER 3152CO 0.25 -0.08 -0.01 -0.76 0.41 0.00 0.00 173.24 173.06 1pp6 s LEU 3153N 0.31 3.95 -0.40 2.44 2.01 0.31 -1.97 118.68 125.32 1pp6 s LEU 3153Ca -0.02 -1.78 -0.25 0.00 0.01 0.00 0.00 54.13 52.09 1pp6 s LEU 3153Cb -0.03 -1.50 0.02 0.00 0.01 0.00 0.00 46.19 44.68 1pp6 s LEU 3153CO -0.01 -0.31 0.89 -0.69 1.01 0.00 0.00 176.35 177.24 1pp6 s VAL 3154N 1.06 4.58 -0.03 -1.59 1.01 -0.78 -2.32 120.40 122.33 1pp6 s VAL 3154Ca 0.03 0.95 0.03 0.00 0.00 0.00 0.00 61.98 62.98 1pp6 s VAL 3154Cb -0.19 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.85 1pp6 s VAL 3154CO -0.08 -0.62 -0.10 0.28 0.00 0.00 0.00 175.10 174.58 1pp6 s THR 3155N 3.49 0.86 -0.08 3.92 -1.32 -0.91 -1.36 115.64 120.23 1pp6 s THR 3155Ca 0.36 -0.38 0.01 0.00 -1.21 0.00 0.00 61.69 60.46 1pp6 s THR 3155Cb -0.12 -0.77 -0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1pp6 s THR 3155CO 0.21 0.27 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.91 1pp6 s THR 3156N 0.28 3.48 -0.37 5.08 2.01 -0.02 -2.60 115.64 123.51 1pp6 s THR 3156Ca -0.05 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1pp6 s THR 3156Cb -0.10 -2.42 0.11 0.00 0.01 0.00 0.00 72.50 70.10 1pp6 s THR 3156CO 0.01 0.58 0.13 -0.63 -0.69 0.00 0.00 174.62 174.02 1pp6 s ILE 3157N -0.53 1.50 -0.48 1.82 1.01 0.51 -1.19 121.20 123.85 1pp6 s ILE 3157Ca 0.08 -2.09 -0.22 0.00 0.00 0.00 0.00 60.65 58.42 1pp6 s ILE 3157Cb -0.12 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.29 1pp6 s ILE 3157CO 0.02 -0.72 0.77 -0.22 0.00 0.00 0.00 174.94 174.78 1pp6 s LEU 3158N 0.96 4.39 -0.21 2.97 2.96 -1.11 -1.63 118.68 127.02 1pp6 s LEU 3158Ca 0.13 -0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 1pp6 s LEU 3158Cb -0.20 -2.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 1pp6 s LEU 3158CO -0.12 -0.96 0.21 -0.63 -1.32 0.00 0.00 176.35 173.53 1pp6 s ILE 3159N 3.24 5.34 -0.07 6.68 -1.09 -1.15 -1.90 121.20 132.25 1pp6 s ILE 3159Ca 0.26 0.33 0.01 0.00 -2.23 0.00 0.00 60.65 59.02 1pp6 s ILE 3159Cb -0.14 -3.55 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1pp6 s ILE 3159CO 0.19 0.36 -0.07 0.42 -1.23 0.00 0.00 174.94 174.62 1pp6 s THR 3160N 0.82 0.78 0.35 2.92 -4.23 -0.51 -1.47 115.64 114.31 1pp6 s THR 3160Ca 0.11 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1pp6 s THR 3160Cb -0.13 -0.79 -0.00 0.00 1.34 0.00 0.00 72.50 72.92 1pp6 s THR 3160CO 0.03 0.30 0.44 0.00 -0.54 0.00 0.00 174.62 174.85 1pp6 s ALA 3161N 1.16 1.05 -0.99 3.99 0.00 -1.10 -2.87 121.76 123.00 1pp6 s ALA 3161Ca -0.07 -1.67 -0.18 0.00 0.00 0.00 0.00 51.96 50.05 1pp6 s ALA 3161Cb -0.14 1.22 0.14 0.00 0.00 0.00 0.00 23.12 24.34 1pp6 s ALA 3161CO -0.01 -0.77 1.21 0.16 0.00 0.00 0.00 175.76 176.35 1pp6 s ASP 3162N -3.28 6.72 0.00 0.00 3.84 -1.23 -0.32 116.67 122.40 1pp6 s ASP 3162Ca 0.33 -2.23 0.00 0.00 -0.00 0.00 0.00 52.55 50.65 1pp6 s ASP 3162Cb -0.00 -2.41 0.00 0.00 -1.38 0.00 0.00 42.92 39.13 1pp6 s ASP 3162CO 0.23 -1.01 0.00 -0.38 -0.00 0.00 0.00 175.17 174.01 1pp6 n ILE 3163N 5.36 0.00 0.00 2.11 5.41 -1.07 -4.73 119.36 126.44 1pp6 n ILE 3163Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.02 1pp6 n ILE 3163Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 1pp6 n ILE 3163CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1pp6 n GLU 3164N -0.69 0.00 -1.05 0.38 2.13 -1.21 -4.79 120.64 115.41 1pp6 n GLU 3164Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 1pp6 n GLU 3164Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1pp6 n GLU 3164CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pp6 n GLU 3165N 0.00 0.00 0.23 5.31 -0.58 -1.26 -4.75 120.64 119.58 1pp6 n GLU 3165Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1pp6 n GLU 3165Cb 0.00 -0.75 -0.04 0.00 -0.57 0.00 0.00 31.44 30.07 1pp6 n GLU 3165CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1pp6 h LYS 3166N 0.74 -0.55 0.00 3.49 2.10 -1.97 -3.00 116.57 117.38 1pp6 h LYS 3166Ca -0.21 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1pp6 h LYS 3166Cb 1.09 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1pp6 h LYS 3166CO 0.43 -0.37 0.45 -2.37 -2.00 0.00 0.00 179.45 175.59 1pp6 n THR 3167N -3.56 0.40 -0.26 0.07 5.66 -1.26 -2.75 114.28 112.58 1pp6 n THR 3167Ca -0.07 0.75 0.07 0.00 -3.05 0.00 0.00 64.05 61.75 1pp6 n THR 3167Cb 0.23 -1.75 0.19 0.00 -1.55 0.00 0.00 70.33 67.45 1pp6 n THR 3167CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1pp6 h GLY 3168N 0.00 1.02 -1.17 1.09 0.00 -1.87 0.10 103.07 102.24 1pp6 h GLY 3168Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1pp6 h GLY 3168CO 0.00 -0.28 0.00 0.79 0.00 0.00 0.00 176.54 177.05 1pp6 n TRP 3169N -5.26 0.22 -2.51 5.60 7.02 -1.11 -4.70 117.44 116.70 1pp6 n TRP 3169Ca 0.15 -0.11 -0.41 0.00 -1.02 0.00 0.00 57.50 56.12 1pp6 n TRP 3169Cb 0.52 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.40 1pp6 n TRP 3169CO 0.00 0.00 0.00 -0.46 -2.02 0.00 0.00 177.69 175.21 1pp6 s TRP 3170N -1.78 2.66 0.00 -5.99 -0.11 0.36 -4.52 118.94 109.56 1pp6 s TRP 3170Ca 0.34 -1.31 0.00 0.00 1.22 0.00 0.00 56.10 56.35 1pp6 s TRP 3170Cb 0.19 -4.65 0.00 0.00 -1.50 0.00 0.00 33.47 27.51 1pp6 s TRP 3170CO 0.29 -1.73 0.00 0.41 -4.62 0.00 0.00 176.95 171.29 1pp6 n GLY 3171N 5.52 -0.35 0.00 5.86 0.00 -1.26 -4.82 105.19 110.14 1pp6 n GLY 3171Ca 0.48 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1pp6 n GLY 3171CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pp6 n LEU 3172N 0.00 0.00 0.00 0.99 4.32 -1.22 -5.02 117.00 116.08 1pp6 n LEU 3172Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1pp6 n LEU 3172Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1pp6 n LEU 3172CO 0.00 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.52 1pp6 n THR 3173N 0.00 0.00 -1.69 -5.08 -2.24 -1.26 -4.84 114.28 99.17 1pp6 n THR 3173Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1pp6 n THR 3173Cb 0.00 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 1pp6 n THR 3173CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1pp6 n SER 3174N -0.28 6.46 0.00 3.42 2.88 -1.26 -4.78 113.62 120.06 1pp6 n SER 3174Ca 0.00 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 1pp6 n SER 3174Cb 0.00 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1pp6 n SER 3174CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1pp6 n SER 3175N -0.79 0.00 -4.08 -3.46 2.88 -1.26 -4.23 113.62 102.67 1pp6 n SER 3175Ca 0.54 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.94 1pp6 n SER 3175Cb 0.76 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.10 1pp6 n SER 3175CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1pp6 s THR 3176N 0.00 0.63 -1.53 2.46 2.01 -1.26 -4.92 115.64 113.02 1pp6 s THR 3176Ca 0.00 -1.17 -0.12 0.00 0.31 0.00 0.00 61.69 60.72 1pp6 s THR 3176Cb 0.00 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 1pp6 s THR 3176CO 0.00 -0.39 2.57 1.17 -0.69 0.00 0.00 174.62 177.28 1pp6 n LYS 3177N 1.34 3.33 -4.93 4.92 3.00 -1.26 -4.56 118.16 120.00 1pp6 n LYS 3177Ca -0.22 -2.47 -0.29 0.00 -0.00 0.00 0.00 58.31 55.33 1pp6 n LYS 3177Cb 0.55 -3.03 -0.15 0.00 0.00 0.00 0.00 35.03 32.40 1pp6 n LYS 3177CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1pp6 s LYS 3178N 2.49 1.75 -0.59 1.64 -0.14 -1.26 -5.07 119.74 118.55 1pp6 s LYS 3178Ca 0.58 -1.01 -0.27 0.00 -1.36 0.00 0.00 55.97 53.91 1pp6 s LYS 3178Cb 0.16 -1.85 -0.01 0.00 -1.68 0.00 0.00 37.83 34.45 1pp6 s LYS 3178CO -0.07 0.48 1.77 -0.80 -0.76 0.00 0.00 175.35 175.97 1pp6 s ASN 3179N -1.04 5.48 0.03 2.83 -0.87 -1.26 -3.87 114.94 116.23 1pp6 s ASN 3179Ca 0.10 0.37 -0.09 0.00 -1.57 0.00 0.00 52.86 51.66 1pp6 s ASN 3179Cb -0.10 -2.53 -0.05 0.00 -0.02 0.00 0.00 41.25 38.55 1pp6 s ASN 3179CO 0.01 -2.21 0.35 -0.36 -2.57 0.00 0.00 177.10 172.32 1pp6 s PHE 3180N 8.33 3.61 -0.29 2.20 0.08 0.64 -3.50 117.98 129.04 1pp6 s PHE 3180Ca 0.65 0.74 -0.14 0.00 0.12 0.00 0.00 56.93 58.29 1pp6 s PHE 3180Cb -0.13 -2.11 0.13 0.00 -0.57 0.00 0.00 43.02 40.34 1pp6 s PHE 3180CO 0.22 0.58 0.84 0.00 -0.10 0.00 0.00 175.22 176.76 1pp6 s ALA 3181N -1.30 -2.25 0.03 5.36 0.00 -1.14 0.25 121.76 122.72 1pp6 s ALA 3181Ca 0.29 2.25 0.02 0.00 0.00 0.00 0.00 51.96 54.52 1pp6 s ALA 3181Cb -0.14 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1pp6 s ALA 3181CO 0.16 -0.64 -0.07 0.54 0.00 0.00 0.00 175.76 175.75 1pp6 s VAL 3182N 2.05 0.49 -0.27 0.00 0.11 -1.20 -1.42 120.40 120.16 1pp6 s VAL 3182Ca -0.07 -0.92 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 1pp6 s VAL 3182Cb -0.06 -0.54 0.07 0.00 -1.53 0.00 0.00 36.38 34.31 1pp6 s VAL 3182CO -0.18 -0.30 -0.07 -1.58 -3.33 0.00 0.00 175.10 169.64 1pp6 s GLN 3183N -1.32 2.02 -0.34 1.54 0.74 -0.80 0.28 119.66 121.78 1pp6 s GLN 3183Ca -0.08 -1.40 -0.20 0.00 0.05 0.00 0.00 55.36 53.72 1pp6 s GLN 3183Cb -0.09 -2.90 -0.00 0.00 1.10 0.00 0.00 33.01 31.12 1pp6 s GLN 3183CO 0.00 -0.64 0.63 0.42 -0.55 0.00 0.00 175.29 175.15 1pp6 s ILE 3184N 1.10 4.91 0.01 -2.34 1.01 0.88 -2.73 121.20 124.04 1pp6 s ILE 3184Ca -0.05 0.68 0.03 0.00 0.00 0.00 0.00 60.65 61.31 1pp6 s ILE 3184Cb -0.20 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1pp6 s ILE 3184CO -0.06 -0.25 -0.04 -1.81 0.00 0.00 0.00 174.94 172.78 1pp6 s ASP 3185N 1.74 4.79 -0.29 3.58 -0.00 -0.33 -0.24 116.67 125.92 1pp6 s ASP 3185Ca 0.25 -0.12 -0.16 0.00 -0.00 0.00 0.00 52.55 52.52 1pp6 s ASP 3185Cb -0.15 -1.15 0.14 0.00 -0.00 0.00 0.00 42.92 41.76 1pp6 s ASP 3185CO 0.14 0.27 0.95 0.00 -0.00 0.00 0.00 175.17 176.53 1pp6 s ALA 3186N -1.06 -2.24 -0.12 5.23 0.00 0.05 -0.83 121.76 122.79 1pp6 s ALA 3186Ca 0.19 2.22 0.01 0.00 0.00 0.00 0.00 51.96 54.38 1pp6 s ALA 3186Cb -0.11 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.34 1pp6 s ALA 3186CO 0.09 -0.35 -0.13 -1.17 0.00 0.00 0.00 175.76 174.21 1pp6 s LEU 3187N 1.35 1.57 0.13 0.00 0.20 -0.46 0.18 118.68 121.65 1pp6 s LEU 3187Ca -0.09 -0.40 0.05 0.00 0.69 0.00 0.00 54.13 54.39 1pp6 s LEU 3187Cb -0.04 -1.02 -0.04 0.00 -0.43 0.00 0.00 46.19 44.66 1pp6 s LEU 3187CO -0.15 -0.03 0.04 -0.70 -0.29 0.00 0.00 176.35 175.21 1pp6 s GLU 3188N 1.26 2.61 0.21 1.98 2.12 0.90 -1.87 118.70 125.91 1pp6 s GLU 3188Ca -0.02 -0.91 -0.06 0.00 0.36 0.00 0.00 54.97 54.35 1pp6 s GLU 3188Cb -0.14 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.70 1pp6 s GLU 3188CO -0.05 0.51 0.27 -0.48 -0.54 0.00 0.00 175.26 174.97 1pp6 s LEU 3189N -2.66 0.84 -0.19 2.70 0.05 -0.83 -2.04 118.68 116.53 1pp6 s LEU 3189Ca 0.28 -1.17 -0.02 0.00 0.05 0.00 0.00 54.13 53.27 1pp6 s LEU 3189Cb -0.11 0.97 -0.00 0.00 -2.05 0.00 0.00 46.19 45.00 1pp6 s LEU 3189CO 0.20 -0.96 -0.10 -0.69 -0.55 0.00 0.00 176.35 174.25 1pp6 s VAL 3190N -4.09 2.98 0.00 1.48 1.01 -0.85 -2.50 120.40 118.43 1pp6 s VAL 3190Ca 0.31 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1pp6 s VAL 3190Cb 0.04 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1pp6 s VAL 3190CO 0.10 0.47 -0.13 0.54 0.00 0.00 0.00 175.10 176.08 1pp6 s VAL 3191N 1.23 1.01 0.25 2.92 0.11 -0.91 -1.29 120.40 123.72 1pp6 s VAL 3191Ca 0.02 -0.66 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1pp6 s VAL 3191Cb -0.14 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1pp6 s VAL 3191CO -0.04 0.20 0.38 -1.59 -3.33 0.00 0.00 175.10 170.73 1pp6 s LYS 3192N -0.52 3.45 0.40 1.54 -2.85 -1.20 -1.25 119.74 119.31 1pp6 s LYS 3192Ca 0.04 -0.70 -0.27 0.00 -1.00 0.00 0.00 55.97 54.04 1pp6 s LYS 3192Cb -0.06 -2.86 -0.10 0.00 -2.06 0.00 0.00 37.83 32.76 1pp6 s LYS 3192CO -0.00 0.39 1.41 -1.59 0.10 0.00 0.00 175.35 175.66 1pp6 s LYS 3193N -4.01 3.97 0.00 1.78 -2.85 0.12 -2.78 119.74 115.96 1pp6 s LYS 3193Ca 0.35 2.40 0.00 0.00 -1.00 0.00 0.00 55.97 57.72 1pp6 s LYS 3193Cb -0.09 -2.83 0.00 0.00 -2.06 0.00 0.00 37.83 32.85 1pp6 s LYS 3193CO 0.30 -0.58 0.00 0.41 0.10 0.00 0.00 175.35 175.58 1pp6 n GLY 3194N 0.58 1.57 3.05 0.59 0.00 -1.26 -5.04 105.19 104.68 1pp6 n GLY 3194Ca 0.03 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1pp6 n GLY 3194CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pp6 n PHE 3195N 0.00 -1.98 -3.78 1.61 7.35 -1.12 -4.98 117.46 114.56 1pp6 n PHE 3195Ca 0.00 0.57 -0.13 0.00 -0.76 0.00 0.00 57.45 57.13 1pp6 n PHE 3195Cb 0.00 -1.64 -0.13 0.00 0.35 0.00 0.00 39.48 38.06 1pp6 n PHE 3195CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1pp6 s LYS 3196N -0.93 0.16 0.51 -4.13 1.02 -1.26 -4.84 119.74 110.28 1pp6 s LYS 3196Ca 0.55 0.33 -0.15 0.00 0.02 0.00 0.00 55.97 56.71 1pp6 s LYS 3196Cb -0.59 -0.04 -0.13 0.00 -0.52 0.00 0.00 37.83 36.56 1pp6 s LYS 3196CO 0.58 -0.10 -0.22 0.00 -0.92 0.00 0.00 175.35 174.70 1pp6 n ALA 3197N 3.63 -3.27 1.66 5.17 0.00 -1.26 -5.10 120.51 121.35 1pp6 n ALA 3197Ca -0.20 -0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.25 1pp6 n ALA 3197Cb 0.55 -1.17 0.66 0.00 0.00 0.00 0.00 19.45 19.50 1pp6 n ALA 3197CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15