#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpa s GLU 3002N 0.00 0.56 0.10 -1.58 2.12 -0.60 -4.89 118.70 114.41 2hpa s GLU 3002Ca 0.00 0.70 -0.35 0.00 0.36 0.00 0.00 54.97 55.68 2hpa s GLU 3002Cb 0.00 0.34 -0.15 0.00 0.26 0.00 0.00 34.13 34.58 2hpa s GLU 3002CO 0.00 -0.90 1.49 -0.11 -0.54 0.00 0.00 175.26 175.20 2hpa n LEU 3003N 5.42 2.44 -0.02 2.70 7.94 -1.26 -0.49 117.00 133.73 2hpa n LEU 3003Ca 0.03 1.09 -0.02 0.00 -1.11 0.00 0.00 56.01 56.00 2hpa n LEU 3003Cb 0.53 -1.31 -0.02 0.00 0.53 0.00 0.00 43.42 43.15 2hpa n LEU 3003CO -0.03 -0.62 -0.63 0.29 -1.11 0.00 0.00 177.39 175.30 2hpa n LYS 3004N 3.21 1.32 -3.85 1.96 4.76 0.33 -4.88 118.16 121.01 2hpa n LYS 3004Ca 0.18 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.52 2hpa n LYS 3004Cb 0.24 -1.08 -0.09 0.00 -1.84 0.00 0.00 35.03 32.25 2hpa n LYS 3004CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2hpa s PHE 3005N -2.08 0.01 -0.09 2.13 5.36 -1.14 -4.65 117.98 117.52 2hpa s PHE 3005Ca -0.04 -0.10 -0.08 0.00 -0.96 0.00 0.00 56.93 55.75 2hpa s PHE 3005Cb 0.01 -0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.70 2hpa s PHE 3005CO 0.11 -0.33 0.24 0.54 -1.46 0.00 0.00 175.22 174.32 2hpa s VAL 3006N -1.59 -0.01 -0.08 3.12 0.11 0.23 -0.32 120.40 121.85 2hpa s VAL 3006Ca -0.13 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.98 2hpa s VAL 3006Cb -0.06 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 2hpa s VAL 3006CO 0.01 0.01 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.75 2hpa s THR 3007N 0.39 1.42 -0.17 5.04 2.01 -0.94 -2.06 115.64 121.34 2hpa s THR 3007Ca -0.02 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2hpa s THR 3007Cb -0.04 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 71.22 2hpa s THR 3007CO -0.02 0.42 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.42 2hpa s LEU 3008N 0.65 1.92 -0.33 4.42 1.43 -0.78 -1.13 118.68 124.87 2hpa s LEU 3008Ca -0.14 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 2hpa s LEU 3008Cb -0.16 -1.27 0.07 0.00 0.03 0.00 0.00 46.19 44.87 2hpa s LEU 3008CO 0.04 -0.06 0.05 0.68 0.23 0.00 0.00 176.35 177.29 2hpa s VAL 3009N 1.42 2.93 0.33 -1.59 -7.23 -0.99 0.55 120.40 115.81 2hpa s VAL 3009Ca 0.04 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 58.58 2hpa s VAL 3009Cb -0.14 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 2hpa s VAL 3009CO -0.11 -0.32 0.13 0.72 -0.31 0.00 0.00 175.10 175.21 2hpa s PHE 3010N 1.17 2.72 0.14 2.82 -0.12 -0.42 -2.77 117.98 121.51 2hpa s PHE 3010Ca 0.00 -0.36 -0.09 0.00 -0.05 0.00 0.00 56.93 56.44 2hpa s PHE 3010Cb -0.20 -1.59 -0.06 0.00 -0.63 0.00 0.00 43.02 40.53 2hpa s PHE 3010CO -0.03 0.37 0.44 0.50 -0.05 0.00 0.00 175.22 176.45 2hpa s ARG 3011N -3.83 3.75 0.96 1.99 3.52 -0.80 -0.61 118.95 123.93 2hpa s ARG 3011Ca 0.37 0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 56.01 2hpa s ARG 3011Cb -0.03 -2.87 0.17 0.00 -1.56 0.00 0.00 34.95 30.65 2hpa s ARG 3011CO 0.22 0.47 1.09 -3.38 -0.81 0.00 0.00 175.30 172.90 2hpa s HIS 3012N -1.57 1.85 0.44 5.12 -3.43 -0.38 -2.00 115.29 115.32 2hpa s HIS 3012Ca 0.39 1.46 -0.07 0.00 -0.80 0.00 0.00 55.06 56.03 2hpa s HIS 3012Cb -0.13 -3.20 0.11 0.00 -1.43 0.00 0.00 32.58 27.93 2hpa s HIS 3012CO 0.21 -2.86 0.45 0.41 -2.00 0.00 0.00 174.74 170.95 2hpa n GLY 3013N -0.18 -2.15 3.56 -1.38 0.00 -1.26 -1.81 105.19 101.98 2hpa n GLY 3013Ca 0.08 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 2hpa n GLY 3013CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hpa n ASP 3014N -3.59 0.02 -3.67 1.61 2.03 -1.26 -4.80 116.55 106.89 2hpa n ASP 3014Ca 0.06 0.71 -0.09 0.00 0.52 0.00 0.00 54.79 56.00 2hpa n ASP 3014Cb 0.22 -1.33 -0.02 0.00 -0.72 0.00 0.00 41.12 39.28 2hpa n ASP 3014CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hpa s ARG 3015N -2.80 1.54 0.54 -0.67 1.70 -1.26 -2.73 118.95 115.27 2hpa s ARG 3015Ca 0.73 -0.75 -0.18 0.00 -0.47 0.00 0.00 55.73 55.05 2hpa s ARG 3015Cb -0.39 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 34.52 2hpa s ARG 3015CO 0.51 -0.70 1.07 -1.54 -1.08 0.00 0.00 175.30 173.56 2hpa s SER 3016N -2.84 5.96 0.41 -2.89 1.04 -0.56 -4.89 113.70 109.93 2hpa s SER 3016Ca 0.07 1.94 -0.23 0.00 0.48 0.00 0.00 55.95 58.20 2hpa s SER 3016Cb -0.04 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.41 2hpa s SER 3016CO -0.02 -1.05 0.77 -2.65 0.98 0.00 0.00 173.24 171.28 2hpa n PRO 3017N -1.49 0.91 0.06 4.02 -0.02 -1.26 -2.73 135.00 134.50 2hpa n PRO 3017Ca 0.10 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.80 2hpa n PRO 3017Cb 0.52 -1.75 -0.13 0.00 -0.02 0.00 0.00 33.50 32.12 2hpa n PRO 3017CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2hpa h ILE 3018N 1.14 1.44 -3.90 4.25 -0.00 -1.92 -1.55 117.51 116.97 2hpa h ILE 3018Ca -0.42 -3.13 -0.28 0.00 -0.00 0.00 0.00 64.86 61.04 2hpa h ILE 3018Cb 1.37 2.79 -0.07 0.00 -0.00 0.00 0.00 36.82 40.92 2hpa h ILE 3018CO 0.54 0.86 -0.19 -0.67 -0.00 0.00 0.00 178.15 178.69 2hpa n ASP 3019N -3.37 -1.05 -3.45 2.16 -0.08 -1.26 -4.49 116.55 105.01 2hpa n ASP 3019Ca -0.07 -2.70 -0.13 0.00 -1.51 0.00 0.00 54.79 50.38 2hpa n ASP 3019Cb 0.99 2.04 -0.03 0.00 2.34 0.00 0.00 41.12 46.46 2hpa n ASP 3019CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2hpa s THR 3020N -2.85 0.00 0.38 5.18 -1.32 -1.26 -4.52 115.64 111.25 2hpa s THR 3020Ca 0.27 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.51 2hpa s THR 3020Cb -0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.89 2hpa s THR 3020CO 0.19 0.00 1.01 0.72 -2.21 0.00 0.00 174.62 174.34 2hpa s PHE 3021N -3.21 3.38 0.42 9.09 -0.71 0.53 -4.94 117.98 122.54 2hpa s PHE 3021Ca -0.01 1.67 0.21 0.00 -1.04 0.00 0.00 56.93 57.77 2hpa s PHE 3021Cb -0.01 -3.05 1.18 0.00 -1.21 0.00 0.00 43.02 39.93 2hpa s PHE 3021CO -0.08 -0.38 1.77 -1.00 -1.34 0.00 0.00 175.22 174.19 2hpa h PRO 3022N 2.62 0.31 0.00 1.99 0.13 -1.88 -1.31 132.00 133.86 2hpa h PRO 3022Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2hpa h PRO 3022Cb 1.21 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2hpa h PRO 3022CO 0.63 0.21 0.00 2.41 -0.23 0.00 0.00 178.00 181.02 2hpa n THR 3023N -4.58 0.02 -2.54 1.56 -1.04 -0.88 -4.79 114.28 102.03 2hpa n THR 3023Ca 0.26 0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.85 2hpa n THR 3023Cb 0.96 -0.51 -0.02 0.00 -1.82 0.00 0.00 70.33 68.93 2hpa n THR 3023CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2hpa s ASP 3024N -2.63 6.76 0.55 8.00 2.15 -0.50 -4.90 116.67 126.11 2hpa s ASP 3024Ca 0.26 1.01 0.28 0.00 0.43 0.00 0.00 52.55 54.53 2hpa s ASP 3024Cb 0.20 -2.54 1.61 0.00 -0.30 0.00 0.00 42.92 41.89 2hpa s ASP 3024CO 0.46 -1.04 2.16 1.55 -0.17 0.00 0.00 175.17 178.14 2hpa h PRO 3025N 8.82 0.00 -5.76 4.34 0.13 -1.88 -3.36 132.00 134.30 2hpa h PRO 3025Ca -0.23 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.24 2hpa h PRO 3025Cb 1.08 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.10 2hpa h PRO 3025CO 1.05 0.06 1.75 0.42 -0.23 0.00 0.00 178.00 181.06 2hpa s ILE 3026N -4.42 4.20 0.82 -3.56 1.01 -1.26 -4.98 121.20 113.01 2hpa s ILE 3026Ca -0.04 -1.56 -0.09 0.00 0.00 0.00 0.00 60.65 58.96 2hpa s ILE 3026Cb 0.14 -5.08 0.14 0.00 0.01 0.00 0.00 42.46 37.67 2hpa s ILE 3026CO 0.57 -1.91 1.14 -0.54 0.00 0.00 0.00 174.94 174.20 2hpa s LYS 3027N 4.07 1.40 0.44 2.79 1.02 -1.26 -4.89 119.74 123.32 2hpa s LYS 3027Ca 0.48 -0.56 0.31 0.00 0.02 0.00 0.00 55.97 56.22 2hpa s LYS 3027Cb 0.01 -2.08 1.44 0.00 -0.52 0.00 0.00 37.83 36.68 2hpa s LYS 3027CO -0.01 -1.80 1.62 1.49 -0.92 0.00 0.00 175.35 175.74 2hpa h GLU 3028N -1.02 0.08 0.00 1.68 4.81 -1.95 -0.02 114.58 118.16 2hpa h GLU 3028Ca -0.42 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 2hpa h GLU 3028Cb 1.27 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2hpa h GLU 3028CO 0.45 0.05 -0.07 0.66 -0.73 0.00 0.00 179.01 179.38 2hpa h SER 3029N 0.08 0.00 1.08 1.04 4.64 -1.97 -2.08 113.55 116.34 2hpa h SER 3029Ca 0.82 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.14 2hpa h SER 3029Cb 2.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.71 2hpa h SER 3029CO -0.40 0.07 0.00 0.28 -0.87 0.00 0.00 176.83 175.91 2hpa h SER 3030N 0.00 0.00 -3.46 4.97 0.02 -1.33 -3.42 113.55 110.33 2hpa h SER 3030Ca -0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 2hpa h SER 3030Cb 0.24 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.65 2hpa h SER 3030CO 0.01 0.00 -0.46 0.26 -1.14 0.00 0.00 176.83 175.50 2hpa s TRP 3031N -3.44 3.36 0.49 3.45 0.52 -0.78 -5.00 118.94 117.54 2hpa s TRP 3031Ca 0.04 0.31 0.31 0.00 0.02 0.00 0.00 56.10 56.78 2hpa s TRP 3031Cb 0.09 -2.26 1.40 0.00 -1.15 0.00 0.00 33.47 31.55 2hpa s TRP 3031CO 0.51 0.14 1.77 -1.00 0.02 0.00 0.00 176.95 178.39 2hpa h PRO 3032N 7.20 0.13 0.00 4.98 0.13 -1.84 -1.41 132.00 141.19 2hpa h PRO 3032Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2hpa h PRO 3032Cb 1.16 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2hpa h PRO 3032CO 0.70 0.09 -0.01 1.04 -0.23 0.00 0.00 178.00 179.58 2hpa n GLN 3033N -4.36 2.33 0.00 0.86 3.00 -1.26 -5.11 117.38 112.85 2hpa n GLN 3033Ca 0.27 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 2hpa n GLN 3033Cb 1.17 -1.03 0.00 0.00 0.00 0.00 0.00 30.24 30.37 2hpa n GLN 3033CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2hpa n GLY 3034N -0.61 -0.19 3.96 1.08 0.00 -0.53 -4.81 105.19 104.09 2hpa n GLY 3034Ca 0.03 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 2hpa n GLY 3034CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hpa s PHE 3035N 0.00 3.06 -1.48 1.61 0.08 -1.26 -4.37 117.98 115.62 2hpa s PHE 3035Ca 0.00 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.15 2hpa s PHE 3035Cb 0.00 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.96 2hpa s PHE 3035CO 0.00 -0.56 0.00 0.41 -0.10 0.00 0.00 175.22 174.97 2hpa n GLY 3036N -2.17 0.47 3.48 4.36 0.00 -0.58 -4.94 105.19 105.82 2hpa n GLY 3036Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2hpa n GLY 3036CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hpa s GLN 3037N -4.18 3.66 0.24 1.61 2.00 -1.26 -4.33 119.66 117.39 2hpa s GLN 3037Ca 0.00 -0.52 -0.31 0.00 -2.00 0.00 0.00 55.36 52.54 2hpa s GLN 3037Cb 0.00 -2.96 -0.11 0.00 0.80 0.00 0.00 33.01 30.74 2hpa s GLN 3037CO 0.00 0.18 1.56 -1.17 -0.50 0.00 0.00 175.29 175.36 2hpa s LEU 3038N 0.54 4.37 0.00 3.68 2.96 -1.26 -1.49 118.68 127.47 2hpa s LEU 3038Ca -0.02 2.78 -0.00 0.00 -0.22 0.00 0.00 54.13 56.66 2hpa s LEU 3038Cb -0.14 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.95 2hpa s LEU 3038CO 0.02 -0.84 0.15 0.35 -1.32 0.00 0.00 176.35 174.72 2hpa n THR 3039N 2.92 0.00 0.10 3.68 -2.24 -1.11 -4.94 114.28 112.70 2hpa n THR 3039Ca 0.10 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.60 2hpa n THR 3039Cb 0.38 -1.34 0.06 0.00 -2.10 0.00 0.00 70.33 67.33 2hpa n THR 3039CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2hpa h GLN 3040N 0.00 0.10 -0.06 -0.78 1.08 -1.95 -2.79 115.11 110.71 2hpa h GLN 3040Ca -0.05 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2hpa h GLN 3040Cb 0.18 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2hpa h GLN 3040CO 0.05 0.80 0.03 1.25 -0.95 0.00 0.00 178.83 180.02 2hpa h LEU 3041N 0.06 0.08 -2.00 1.46 5.85 -1.94 -1.21 115.31 117.62 2hpa h LEU 3041Ca -0.02 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2hpa h LEU 3041Cb 1.33 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 2hpa h LEU 3041CO 0.11 0.19 0.08 1.23 -0.34 0.00 0.00 178.44 179.71 2hpa h GLY 3042N -0.03 0.00 0.54 3.75 0.00 -1.67 0.27 103.07 105.93 2hpa h GLY 3042Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2hpa h GLY 3042CO -0.00 0.00 -0.01 -0.33 0.00 0.00 0.00 176.54 176.20 2hpa h MET 3043N 0.00 0.03 -0.37 4.80 2.86 -1.18 -2.34 114.93 118.73 2hpa h MET 3043Ca 0.05 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2hpa h MET 3043Cb 0.21 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 2hpa h MET 3043CO -0.00 0.51 0.12 0.93 1.06 0.00 0.00 176.91 179.52 2hpa h GLU 3044N -0.44 0.26 -1.00 1.72 5.08 -0.35 0.28 114.58 120.13 2hpa h GLU 3044Ca 0.00 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2hpa h GLU 3044Cb 0.50 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 2hpa h GLU 3044CO 0.00 0.17 0.62 1.96 -1.00 0.00 0.00 179.01 180.77 2hpa h GLN 3045N 0.26 0.88 0.00 2.33 4.20 -0.94 0.56 115.11 122.41 2hpa h GLN 3045Ca 0.17 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.65 2hpa h GLN 3045Cb 0.16 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2hpa h GLN 3045CO -0.18 0.58 -0.96 0.45 -0.67 0.00 0.00 178.83 178.05 2hpa h HIS 3046N 0.91 0.00 -0.35 2.96 3.86 -0.82 -2.06 115.15 119.65 2hpa h HIS 3046Ca 0.52 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.65 2hpa h HIS 3046Cb 0.62 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 2hpa h HIS 3046CO -0.00 0.79 -0.11 -0.92 0.86 0.00 0.00 177.93 178.55 2hpa h TYR 3047N 0.00 0.66 -0.17 2.45 3.20 0.20 -0.50 116.97 122.81 2hpa h TYR 3047Ca -0.05 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.64 2hpa h TYR 3047Cb 1.65 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.74 2hpa h TYR 3047CO 0.00 0.70 -0.15 1.49 -1.64 0.00 0.00 178.16 178.56 2hpa h GLU 3048N 0.56 0.40 -0.70 1.82 4.22 -0.02 -2.42 114.58 118.44 2hpa h GLU 3048Ca 0.10 -0.21 0.09 0.00 0.08 0.00 0.00 59.36 59.42 2hpa h GLU 3048Cb 0.52 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 2hpa h GLU 3048CO 0.03 0.76 0.36 1.25 -2.18 0.00 0.00 179.01 179.23 2hpa h LEU 3049N 0.05 0.48 -0.85 1.64 6.46 -0.60 -1.15 115.31 121.34 2hpa h LEU 3049Ca 0.03 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 2hpa h LEU 3049Cb 0.68 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 2hpa h LEU 3049CO 0.04 0.28 0.10 1.23 -0.62 0.00 0.00 178.44 179.47 2hpa h GLY 3050N 0.61 1.04 0.99 3.75 0.00 -1.08 -1.66 103.07 106.73 2hpa h GLY 3050Ca 0.34 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2hpa h GLY 3050CO -0.25 0.61 0.35 0.83 0.00 0.00 0.00 176.54 178.07 2hpa h GLU 3051N 0.91 0.84 0.27 4.80 5.08 -0.72 -1.71 114.58 124.05 2hpa h GLU 3051Ca 0.19 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2hpa h GLU 3051Cb 0.39 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2hpa h GLU 3051CO 0.01 0.62 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.59 2hpa h TYR 3052N 0.82 -0.34 -0.70 4.33 3.20 -1.05 -2.04 116.97 121.19 2hpa h TYR 3052Ca 0.22 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.20 2hpa h TYR 3052Cb 0.02 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 2hpa h TYR 3052CO -0.01 -0.17 0.47 0.82 -1.64 0.00 0.00 178.16 177.63 2hpa h ILE 3053N -0.42 0.86 0.51 1.81 1.08 -1.20 0.18 117.51 120.32 2hpa h ILE 3053Ca -0.04 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 2hpa h ILE 3053Cb 0.32 0.35 0.01 0.00 -3.07 0.00 0.00 36.82 34.43 2hpa h ILE 3053CO 0.06 0.09 -0.25 -0.09 -0.69 0.00 0.00 178.15 177.27 2hpa h ARG 3054N 0.47 -0.66 0.24 2.37 2.43 -0.94 -0.68 114.38 117.62 2hpa h ARG 3054Ca 0.33 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 2hpa h ARG 3054Cb 0.66 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 2hpa h ARG 3054CO -0.11 -0.40 -0.33 0.87 -1.51 0.00 0.00 179.97 178.50 2hpa h LYS 3055N -0.78 -0.60 -1.00 0.20 1.57 -0.75 0.11 116.57 115.31 2hpa h LYS 3055Ca -0.07 0.04 0.25 0.00 -1.87 0.00 0.00 60.65 59.01 2hpa h LYS 3055Cb 0.57 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 32.89 2hpa h LYS 3055CO 0.12 -0.40 0.59 -0.09 -0.57 0.00 0.00 179.45 179.09 2hpa h ARG 3056N -0.63 0.54 -0.38 3.15 2.43 -0.54 0.13 114.38 119.08 2hpa h ARG 3056Ca 0.00 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2hpa h ARG 3056Cb 0.60 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 2hpa h ARG 3056CO -0.11 0.36 0.04 0.66 -1.51 0.00 0.00 179.97 179.40 2hpa n TYR 3057N -4.90 1.27 -0.39 2.20 4.01 -0.27 -4.71 117.16 114.36 2hpa n TYR 3057Ca 0.27 -1.15 0.31 0.00 -0.16 0.00 0.00 57.90 57.17 2hpa n TYR 3057Cb 0.77 -0.44 0.60 0.00 -0.31 0.00 0.00 39.34 39.97 2hpa n TYR 3057CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2hpa h ARG 3058N 1.70 0.20 0.08 -0.72 9.65 0.19 -0.91 114.38 124.57 2hpa h ARG 3058Ca 0.12 -0.01 -0.35 0.00 -1.10 0.00 0.00 59.98 58.64 2hpa h ARG 3058Cb 1.68 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 30.18 2hpa h ARG 3058CO 0.37 0.13 -1.94 1.63 2.80 0.00 0.00 179.97 182.96 2hpa n LYS 3059N -4.59 0.70 0.21 0.20 5.02 -1.26 -4.47 118.16 113.97 2hpa n LYS 3059Ca 0.31 0.31 -0.13 0.00 -2.02 0.00 0.00 58.31 56.78 2hpa n LYS 3059Cb 1.19 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 34.45 2hpa n LYS 3059CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2hpa h PHE 3060N -0.20 -1.00 -3.61 2.13 3.57 -1.55 -3.32 116.94 112.96 2hpa h PHE 3060Ca -0.44 0.01 -0.79 0.00 3.53 0.00 0.00 57.97 60.27 2hpa h PHE 3060Cb 1.86 0.39 -0.27 0.00 2.79 0.00 0.00 35.95 40.72 2hpa h PHE 3060CO 0.07 -0.48 0.34 -0.51 -2.23 0.00 0.00 178.31 175.50 2hpa s LEU 3061N -8.44 6.46 -0.77 0.59 1.43 -0.50 -4.94 118.68 112.52 2hpa s LEU 3061Ca -0.13 -3.18 0.01 0.00 -1.03 0.00 0.00 54.13 49.80 2hpa s LEU 3061Cb 0.03 -2.22 0.35 0.00 0.03 0.00 0.00 46.19 44.39 2hpa s LEU 3061CO 0.42 -0.43 1.58 -0.46 0.23 0.00 0.00 176.35 177.69 2hpa n ASN 3062N 3.38 6.34 -3.57 2.29 6.94 -1.25 -4.76 115.26 124.63 2hpa n ASN 3062Ca 0.20 -3.74 -0.00 0.00 -0.02 0.00 0.00 54.58 51.02 2hpa n ASN 3062Cb 0.43 -0.88 -0.04 0.00 -2.36 0.00 0.00 39.78 36.93 2hpa n ASN 3062CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2hpa s GLU 3063N -3.93 0.53 -0.94 -3.83 8.01 -1.26 -5.08 118.70 112.19 2hpa s GLU 3063Ca 0.47 1.29 -0.27 0.00 0.01 0.00 0.00 54.97 56.47 2hpa s GLU 3063Cb 0.33 0.77 -0.24 0.00 -4.31 0.00 0.00 34.13 30.69 2hpa s GLU 3063CO -0.24 -0.21 2.02 -1.13 0.01 0.00 0.00 175.26 175.71 2hpa n SER 3064N 5.37 1.53 -1.04 -0.19 3.41 -1.26 -4.45 113.62 116.98 2hpa n SER 3064Ca -0.11 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 2hpa n SER 3064Cb 0.50 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 2hpa n SER 3064CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hpa n TYR 3065N 17.56 -2.17 -3.61 7.33 9.36 -1.26 -4.89 117.16 139.48 2hpa n TYR 3065Ca 0.43 1.24 -0.15 0.00 3.32 0.00 0.00 57.90 62.73 2hpa n TYR 3065Cb 0.46 -2.64 -0.13 0.00 -0.63 0.00 0.00 39.34 36.40 2hpa n TYR 3065CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2hpa s LYS 3066N -2.45 0.14 0.57 2.98 1.02 -1.26 -5.05 119.74 115.68 2hpa s LYS 3066Ca 0.00 0.57 0.28 0.00 0.02 0.00 0.00 55.97 56.84 2hpa s LYS 3066Cb 0.00 -0.39 1.48 0.00 -0.52 0.00 0.00 37.83 38.40 2hpa s LYS 3066CO 0.00 -0.39 1.94 1.12 -0.92 0.00 0.00 175.35 177.09 2hpa h HIS 3067N 8.31 0.00 0.00 3.18 2.07 -1.98 0.16 115.15 126.88 2hpa h HIS 3067Ca -0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 2hpa h HIS 3067Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2hpa h HIS 3067CO 0.32 0.00 0.00 -0.85 -3.07 0.00 0.00 177.93 174.33 2hpa n GLU 3068N -3.99 0.86 0.00 5.12 0.00 -1.26 -3.64 120.64 117.73 2hpa n GLU 3068Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 2hpa n GLU 3068Cb 0.68 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.64 2hpa n GLU 3068CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2hpa n GLN 3069N -0.97 2.08 -4.91 3.44 6.02 0.51 -4.32 117.38 119.24 2hpa n GLN 3069Ca 0.20 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.90 2hpa n GLN 3069Cb 0.09 -0.97 -0.15 0.00 1.02 0.00 0.00 30.24 30.23 2hpa n GLN 3069CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2hpa s VAL 3070N -1.92 1.97 -0.05 5.09 1.01 -0.97 -0.44 120.40 125.10 2hpa s VAL 3070Ca 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 2hpa s VAL 3070Cb 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.73 2hpa s VAL 3070CO 0.00 0.37 0.12 -0.47 0.00 0.00 0.00 175.10 175.11 2hpa s TYR 3071N -0.75 -0.11 -0.04 5.22 5.04 -0.54 -4.70 117.35 121.47 2hpa s TYR 3071Ca 0.10 0.39 0.05 0.00 -2.44 0.00 0.00 57.07 55.18 2hpa s TYR 3071Cb -0.10 -0.13 -0.01 0.00 0.35 0.00 0.00 41.96 42.08 2hpa s TYR 3071CO 0.01 -0.15 -0.20 0.42 -1.34 0.00 0.00 175.55 174.29 2hpa s ILE 3072N 1.17 1.63 -0.03 3.14 1.09 -1.26 -0.55 121.20 126.39 2hpa s ILE 3072Ca -0.09 -0.85 0.02 0.00 -1.10 0.00 0.00 60.65 58.63 2hpa s ILE 3072Cb -0.12 -1.38 0.01 0.00 -1.06 0.00 0.00 42.46 39.91 2hpa s ILE 3072CO -0.05 0.46 -0.07 -0.60 -0.10 0.00 0.00 174.94 174.58 2hpa s ARG 3073N -0.19 0.79 0.16 2.79 3.52 0.02 -1.39 118.95 124.65 2hpa s ARG 3073Ca 0.00 -0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.42 2hpa s ARG 3073Cb -0.11 -0.77 -0.05 0.00 -1.56 0.00 0.00 34.95 32.47 2hpa s ARG 3073CO 0.01 0.05 -0.04 0.45 -0.81 0.00 0.00 175.30 174.97 2hpa s SER 3074N 0.35 1.43 0.51 -2.12 0.15 0.15 0.12 113.70 114.29 2hpa s SER 3074Ca -0.05 -1.10 -0.18 0.00 0.70 0.00 0.00 55.95 55.32 2hpa s SER 3074Cb -0.09 0.06 -0.07 0.00 -1.71 0.00 0.00 66.02 64.21 2hpa s SER 3074CO 0.00 -0.47 1.02 0.42 1.20 0.00 0.00 173.24 175.40 2hpa s THR 3075N -3.53 4.07 -1.27 6.45 -4.23 -0.96 -4.26 115.64 111.92 2hpa s THR 3075Ca 0.20 1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 61.73 2hpa s THR 3075Cb 0.05 -3.52 -0.07 0.00 1.34 0.00 0.00 72.50 70.30 2hpa s THR 3075CO 0.02 -0.44 2.45 -0.67 -0.54 0.00 0.00 174.62 175.44 2hpa n ASP 3076N -1.37 6.09 -3.73 3.99 2.03 -1.24 -4.24 116.55 118.08 2hpa n ASP 3076Ca 0.08 -2.53 -0.19 0.00 0.52 0.00 0.00 54.79 52.66 2hpa n ASP 3076Cb 0.53 -1.37 -0.17 0.00 -0.72 0.00 0.00 41.12 39.39 2hpa n ASP 3076CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hpa s VAL 3077N 3.05 0.03 0.22 5.18 1.01 -1.26 -4.70 120.40 123.92 2hpa s VAL 3077Ca 0.55 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 2hpa s VAL 3077Cb 0.14 -0.23 0.33 0.00 0.00 0.00 0.00 36.38 36.63 2hpa s VAL 3077CO -0.04 0.18 1.26 0.47 0.00 0.00 0.00 175.10 176.97 2hpa n ASP 3078N 4.93 -0.34 0.13 3.32 9.92 -1.26 0.46 116.55 133.71 2hpa n ASP 3078Ca -0.11 1.40 0.08 0.00 -0.53 0.00 0.00 54.79 55.62 2hpa n ASP 3078Cb 0.50 -0.40 0.56 0.00 -0.64 0.00 0.00 41.12 41.15 2hpa n ASP 3078CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2hpa h ARG 3079N 0.00 0.20 0.01 -1.24 0.11 -1.96 0.12 114.38 111.63 2hpa h ARG 3079Ca 0.37 -0.01 -0.28 0.00 0.10 0.00 0.00 59.98 60.15 2hpa h ARG 3079Cb 0.57 -0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.56 2hpa h ARG 3079CO -0.83 0.13 -1.63 1.79 0.10 0.00 0.00 179.97 179.54 2hpa h THR 3080N 0.21 0.95 -0.24 0.08 1.35 -0.28 -2.65 112.91 112.33 2hpa h THR 3080Ca 0.09 -2.78 -0.11 0.00 -0.55 0.00 0.00 66.41 63.06 2hpa h THR 3080Cb 0.10 2.48 -0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2hpa h THR 3080CO -0.02 0.56 -0.28 -0.07 -0.25 0.00 0.00 175.52 175.46 2hpa h LEU 3081N 0.00 0.66 -0.70 3.87 -0.00 -0.60 -2.74 115.31 115.81 2hpa h LEU 3081Ca -0.25 -0.49 -0.13 0.00 -0.00 0.00 0.00 57.88 57.00 2hpa h LEU 3081Cb 1.98 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 42.45 2hpa h LEU 3081CO 0.09 1.02 -0.38 0.24 -0.00 0.00 0.00 178.44 179.41 2hpa h MET 3082N 0.31 0.57 -0.67 1.13 2.86 -0.88 -2.13 114.93 116.12 2hpa h MET 3082Ca 0.03 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.33 2hpa h MET 3082Cb 0.85 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 2hpa h MET 3082CO 0.07 0.86 0.17 0.77 1.06 0.00 0.00 176.91 179.84 2hpa h SER 3083N 0.48 1.00 0.50 1.22 0.02 -1.49 0.15 113.55 115.43 2hpa h SER 3083Ca 0.05 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2hpa h SER 3083Cb 0.87 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2hpa h SER 3083CO 0.07 0.96 -0.24 0.00 -1.14 0.00 0.00 176.83 176.48 2hpa h ALA 3084N 1.17 -0.68 -1.00 3.77 0.00 -1.36 -2.03 119.26 119.13 2hpa h ALA 3084Ca 0.21 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2hpa h ALA 3084Cb 0.34 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2hpa h ALA 3084CO -0.00 -0.74 0.64 0.52 0.00 0.00 0.00 179.25 179.67 2hpa h MET 3085N -0.95 1.07 -0.20 0.00 2.86 -1.26 -0.25 114.93 116.20 2hpa h MET 3085Ca -0.07 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 2hpa h MET 3085Cb 0.61 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2hpa h MET 3085CO 0.11 0.71 -0.00 1.15 1.06 0.00 0.00 176.91 179.94 2hpa h THR 3086N 1.10 1.25 -0.01 2.22 2.02 -0.73 -2.50 112.91 116.27 2hpa h THR 3086Ca 0.46 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.80 2hpa h THR 3086Cb 0.30 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 2hpa h THR 3086CO -0.21 0.27 -0.28 -1.13 0.37 0.00 0.00 175.52 174.54 2hpa h ASN 3087N 0.12 -0.82 -0.91 4.18 -0.73 -0.50 -1.52 115.58 115.40 2hpa h ASN 3087Ca 0.06 0.11 0.12 0.00 1.87 0.00 0.00 56.30 58.46 2hpa h ASN 3087Cb 0.40 0.34 -0.07 0.00 0.27 0.00 0.00 38.32 39.25 2hpa h ASN 3087CO 0.01 -0.34 0.59 -0.07 -0.37 0.00 0.00 177.43 177.24 2hpa h LEU 3088N -0.42 0.77 -1.90 0.34 3.38 -1.10 -1.28 115.31 115.11 2hpa h LEU 3088Ca 0.06 0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.31 2hpa h LEU 3088Cb 0.51 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2hpa h LEU 3088CO -0.25 0.42 0.62 0.00 0.09 0.00 0.00 178.44 179.33 2hpa h ALA 3089N 1.57 2.70 0.00 1.53 0.00 -0.79 0.25 119.26 124.51 2hpa h ALA 3089Ca 0.44 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.99 2hpa h ALA 3089Cb 0.54 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2hpa h ALA 3089CO -0.21 -0.96 -2.12 0.00 0.00 0.00 0.00 179.25 175.96 2hpa n ALA 3090N -2.67 1.48 0.03 0.00 0.00 -0.56 -4.23 120.51 114.56 2hpa n ALA 3090Ca 0.18 -1.09 -0.12 0.00 0.00 0.00 0.00 53.44 52.41 2hpa n ALA 3090Cb 0.89 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 2hpa n ALA 3090CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hpa h LEU 3091N 0.00 -0.11 -6.19 0.00 6.46 -0.25 -3.40 115.31 111.82 2hpa h LEU 3091Ca -0.45 -0.42 -0.68 0.00 -0.12 0.00 0.00 57.88 56.21 2hpa h LEU 3091Cb 2.14 0.03 -0.36 0.00 -0.73 0.00 0.00 40.66 41.74 2hpa h LEU 3091CO 0.05 0.40 -0.01 0.49 -0.62 0.00 0.00 178.44 178.75 2hpa n PHE 3092N -4.91 3.25 -2.17 1.25 3.72 0.70 -4.85 117.46 114.45 2hpa n PHE 3092Ca -0.08 -3.48 -0.40 0.00 -0.05 0.00 0.00 57.45 53.44 2hpa n PHE 3092Cb 0.27 -0.81 -0.02 0.00 -0.94 0.00 0.00 39.48 37.98 2hpa n PHE 3092CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2hpa s PRO 3093N -3.06 4.18 -0.18 -1.08 0.02 -1.26 -4.73 135.00 128.89 2hpa s PRO 3093Ca 0.40 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 63.18 2hpa s PRO 3093Cb 0.16 -2.88 -0.07 0.00 0.02 0.00 0.00 34.50 31.74 2hpa s PRO 3093CO -0.02 -0.29 2.17 -2.30 -0.33 0.00 0.00 177.00 176.23 2hpa n PRO 3094N 0.43 2.04 -4.41 5.54 -0.02 -1.26 -4.84 135.00 132.47 2hpa n PRO 3094Ca 0.02 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 2hpa n PRO 3094Cb 0.44 -3.11 -0.10 0.00 -0.02 0.00 0.00 33.50 30.71 2hpa n PRO 3094CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2hpa s GLU 3095N 5.95 3.12 2.96 -0.52 0.41 -1.26 -4.42 118.70 124.94 2hpa s GLU 3095Ca 0.99 -0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.10 2hpa s GLU 3095Cb -0.41 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.14 2hpa s GLU 3095CO 0.38 0.58 0.00 0.41 -0.49 0.00 0.00 175.26 176.15 2hpa n GLY 3096N 2.50 2.95 0.33 -1.39 0.00 -1.26 -0.38 105.19 107.95 2hpa n GLY 3096Ca -0.18 0.07 0.17 0.00 0.00 0.00 0.00 46.02 46.08 2hpa n GLY 3096CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2hpa h VAL 3097N 0.00 0.00 0.00 1.61 3.04 -2.03 0.16 116.25 119.03 2hpa h VAL 3097Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 2hpa h VAL 3097Cb 0.00 0.76 -0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2hpa h VAL 3097CO 0.00 0.00 -0.14 -1.28 -1.01 0.00 0.00 177.57 175.14 2hpa h SER 3098N 0.00 0.00 -2.44 3.17 0.87 -1.04 -3.40 113.55 110.71 2hpa h SER 3098Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2hpa h SER 3098Cb 0.47 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 2hpa h SER 3098CO 0.00 0.14 1.23 -0.63 -0.53 0.00 0.00 176.83 177.04 2hpa s ILE 3099N -4.73 3.56 -0.05 2.23 1.01 0.55 -4.74 121.20 119.03 2hpa s ILE 3099Ca -0.04 0.44 0.13 0.00 0.00 0.00 0.00 60.65 61.18 2hpa s ILE 3099Cb 0.16 -4.14 -0.22 0.00 0.01 0.00 0.00 42.46 38.27 2hpa s ILE 3099CO 0.69 -0.98 0.66 -2.67 0.00 0.00 0.00 174.94 172.64 2hpa n TRP 3100N 10.93 0.97 -3.92 3.97 4.27 -1.26 -4.73 117.44 127.67 2hpa n TRP 3100Ca 0.17 0.35 -0.30 0.00 -3.89 0.00 0.00 57.50 53.82 2hpa n TRP 3100Cb 0.50 -1.17 -0.15 0.00 -1.36 0.00 0.00 31.31 29.12 2hpa n TRP 3100CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2hpa s ASN 3101N -6.04 4.02 0.57 -0.67 3.84 -1.26 -5.01 114.94 110.39 2hpa s ASN 3101Ca -0.05 -1.41 0.35 0.00 0.21 0.00 0.00 52.86 51.96 2hpa s ASN 3101Cb 0.08 -1.20 1.62 0.00 -0.55 0.00 0.00 41.25 41.20 2hpa s ASN 3101CO 0.82 -0.29 2.09 1.55 -2.79 0.00 0.00 177.10 178.48 2hpa h PRO 3102N 7.92 0.00 -0.10 0.43 0.13 -1.98 -2.47 132.00 135.93 2hpa h PRO 3102Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2hpa h PRO 3102Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2hpa h PRO 3102CO 0.44 0.04 0.00 -0.89 -0.23 0.00 0.00 178.00 177.36 2hpa n ILE 3103N -3.22 0.10 -3.45 -3.56 -0.00 -1.26 -4.65 119.36 103.32 2hpa n ILE 3103Ca -0.01 -0.45 -0.22 0.00 -0.00 0.00 0.00 62.75 62.07 2hpa n ILE 3103Cb 0.24 1.02 -0.12 0.00 -0.00 0.00 0.00 39.64 40.79 2hpa n ILE 3103CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 2hpa s LEU 3104N -1.88 0.10 -1.40 1.39 2.96 -0.93 -5.06 118.68 113.86 2hpa s LEU 3104Ca 0.33 -1.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.07 2hpa s LEU 3104Cb 0.20 0.15 0.06 0.00 0.50 0.00 0.00 46.19 47.11 2hpa s LEU 3104CO 0.31 -0.40 2.06 0.18 -1.32 0.00 0.00 176.35 177.18 2hpa n LEU 3105N 5.23 6.31 -3.64 -0.68 4.77 -1.25 -4.32 117.00 123.42 2hpa n LEU 3105Ca -0.03 -4.12 -0.15 0.00 -0.03 0.00 0.00 56.01 51.68 2hpa n LEU 3105Cb 0.44 -1.67 -0.08 0.00 -2.33 0.00 0.00 43.42 39.79 2hpa n LEU 3105CO 0.02 0.87 0.26 0.86 -1.33 0.00 0.00 177.39 178.07 2hpa s TRP 3106N 3.26 -0.51 -0.01 -1.77 -0.00 -1.26 -4.47 118.94 114.17 2hpa s TRP 3106Ca 0.48 1.02 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 2hpa s TRP 3106Cb 0.11 0.26 0.01 0.00 -0.00 0.00 0.00 33.47 33.84 2hpa s TRP 3106CO -0.04 -0.45 -0.01 1.14 -0.00 0.00 0.00 176.95 177.60 2hpa s GLN 3107N -0.74 0.16 -0.25 5.86 -2.07 -1.26 -4.73 119.66 116.63 2hpa s GLN 3107Ca -0.08 -0.00 -0.28 0.00 -1.82 0.00 0.00 55.36 53.17 2hpa s GLN 3107Cb -0.03 -0.23 -0.03 0.00 -1.09 0.00 0.00 33.01 31.63 2hpa s GLN 3107CO 0.05 -0.02 1.91 -1.25 -1.32 0.00 0.00 175.29 174.66 2hpa s PRO 3108N 0.32 3.41 -0.14 9.60 0.04 -1.26 -4.99 135.00 141.99 2hpa s PRO 3108Ca -0.03 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 2hpa s PRO 3108Cb -0.05 -4.22 -0.02 0.00 0.04 0.00 0.00 34.50 30.25 2hpa s PRO 3108CO -0.01 -1.77 -0.10 0.42 0.04 0.00 0.00 177.00 175.59 2hpa s ILE 3109N 6.85 3.32 -0.15 0.56 1.01 -1.26 -5.09 121.20 126.44 2hpa s ILE 3109Ca 0.86 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.65 2hpa s ILE 3109Cb -0.28 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2hpa s ILE 3109CO 0.34 0.51 1.27 -2.16 0.00 0.00 0.00 174.94 174.89 2hpa s PRO 3110N 0.44 4.24 -0.31 2.79 0.04 -1.26 -5.01 135.00 135.94 2hpa s PRO 3110Ca -0.08 1.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.55 2hpa s PRO 3110Cb -0.15 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.63 2hpa s PRO 3110CO 0.04 -0.68 0.15 0.08 0.04 0.00 0.00 177.00 176.63 2hpa s VAL 3111N 3.36 4.58 0.37 -0.36 1.01 -1.26 -4.40 120.40 123.69 2hpa s VAL 3111Ca 0.55 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2hpa s VAL 3111Cb -0.22 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 2hpa s VAL 3111CO 0.16 0.09 0.75 -1.00 0.00 0.00 0.00 175.10 175.10 2hpa s HIS 3112N 1.61 3.43 0.30 5.22 3.76 -0.49 -4.88 115.29 124.25 2hpa s HIS 3112Ca 0.05 1.12 -0.08 0.00 -0.15 0.00 0.00 55.06 56.00 2hpa s HIS 3112Cb -0.17 -2.48 0.00 0.00 1.11 0.00 0.00 32.58 31.04 2hpa s HIS 3112CO 0.06 -0.02 0.49 -0.08 -0.85 0.00 0.00 174.74 174.34 2hpa s THR 3113N -2.20 0.00 -0.01 1.30 -1.32 -1.26 0.30 115.64 112.45 2hpa s THR 3113Ca 0.53 -1.49 -0.10 0.00 -1.21 0.00 0.00 61.69 59.41 2hpa s THR 3113Cb -0.10 -2.49 0.01 0.00 -1.51 0.00 0.00 72.50 68.41 2hpa s THR 3113CO 0.25 0.00 0.21 -0.69 -2.21 0.00 0.00 174.62 172.18 2hpa s VAL 3114N -3.41 0.07 0.39 5.08 1.01 -1.26 -5.01 120.40 117.26 2hpa s VAL 3114Ca 0.26 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 2hpa s VAL 3114Cb -0.01 -0.49 -0.11 0.00 0.00 0.00 0.00 36.38 35.78 2hpa s VAL 3114CO 0.15 -0.30 1.19 -2.65 0.00 0.00 0.00 175.10 173.48 2hpa n PRO 3115N 1.52 1.79 0.10 2.72 -0.02 -1.26 -3.66 135.00 136.18 2hpa n PRO 3115Ca -0.21 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 2hpa n PRO 3115Cb 0.56 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 2hpa n PRO 3115CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2hpa h LEU 3116N 2.06 -0.98 -0.91 2.45 3.38 -1.96 0.45 115.31 119.80 2hpa h LEU 3116Ca -0.46 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2hpa h LEU 3116Cb 1.31 0.38 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2hpa h LEU 3116CO 0.60 -0.41 0.52 0.77 0.09 0.00 0.00 178.44 180.01 2hpa h SER 3117N -0.54 0.00 0.00 -0.43 4.64 -1.99 0.30 113.55 115.54 2hpa h SER 3117Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2hpa h SER 3117Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2hpa h SER 3117CO -0.22 0.00 -0.10 -0.62 -0.87 0.00 0.00 176.83 175.01 2hpa n GLU 3118N -2.35 1.15 -2.79 4.77 1.02 0.00 -5.00 120.64 117.45 2hpa n GLU 3118Ca -0.01 -2.06 -0.42 0.00 -0.02 0.00 0.00 57.16 54.65 2hpa n GLU 3118Cb 0.54 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 2hpa n GLU 3118CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2hpa s ASP 3119N -2.18 6.85 -0.53 1.62 -1.08 0.11 -4.80 116.67 116.66 2hpa s ASP 3119Ca 0.21 0.97 0.06 0.00 -0.52 0.00 0.00 52.55 53.27 2hpa s ASP 3119Cb 0.18 -2.48 0.35 0.00 -1.46 0.00 0.00 42.92 39.52 2hpa s ASP 3119CO 0.02 -0.69 0.94 1.67 0.52 0.00 0.00 175.17 177.62 2hpa n GLN 3120N 6.40 2.88 0.13 4.34 -0.06 -1.26 -4.62 117.38 125.19 2hpa n GLN 3120Ca 0.08 -4.57 0.00 0.00 -2.00 0.00 0.00 57.00 50.51 2hpa n GLN 3120Cb 0.47 -2.14 0.00 0.00 -4.06 0.00 0.00 30.24 24.51 2hpa n GLN 3120CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2hpa n LEU 3121N -0.19 -2.27 -0.10 1.69 7.94 -1.26 -4.97 117.00 117.83 2hpa n LEU 3121Ca 0.30 0.70 -0.11 0.00 -1.11 0.00 0.00 56.01 55.80 2hpa n LEU 3121Cb 0.47 2.33 -0.15 0.00 0.53 0.00 0.00 43.42 46.60 2hpa n LEU 3121CO 0.32 0.16 -1.18 0.18 -1.11 0.00 0.00 177.39 175.76 2hpa n LEU 3122N -3.20 0.50 -3.49 -1.96 4.77 -1.26 -4.59 117.00 107.77 2hpa n LEU 3122Ca 0.00 -0.02 -0.39 0.00 -0.03 0.00 0.00 56.01 55.57 2hpa n LEU 3122Cb 0.00 0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2hpa n LEU 3122CO 0.00 0.57 2.92 0.00 -1.33 0.00 0.00 177.39 179.55 2hpa n TYR 3123N -2.84 2.72 -2.96 -1.77 9.36 -1.26 -4.57 117.16 115.84 2hpa n TYR 3123Ca -0.35 -2.84 -0.32 0.00 3.32 0.00 0.00 57.90 57.72 2hpa n TYR 3123Cb 1.13 -2.38 -0.05 0.00 -0.63 0.00 0.00 39.34 37.41 2hpa n TYR 3123CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2hpa s LEU 3124N 1.05 3.94 0.03 2.98 1.02 -1.26 -4.27 118.68 122.17 2hpa s LEU 3124Ca 0.57 1.27 -0.26 0.00 0.02 0.00 0.00 54.13 55.73 2hpa s LEU 3124Cb 0.15 -4.12 -0.05 0.00 0.02 0.00 0.00 46.19 42.20 2hpa s LEU 3124CO -0.05 -0.31 0.79 -2.16 0.02 0.00 0.00 176.35 174.64 2hpa s PRO 3125N -3.39 4.51 0.02 1.29 0.04 -1.26 -4.45 135.00 131.76 2hpa s PRO 3125Ca 0.54 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 2hpa s PRO 3125Cb -0.10 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 30.97 2hpa s PRO 3125CO 0.23 0.22 1.89 -0.06 0.04 0.00 0.00 177.00 179.31 2hpa s PHE 3126N 0.17 1.50 -1.21 0.56 0.08 -1.26 -4.88 117.98 112.94 2hpa s PHE 3126Ca 0.40 -0.28 0.23 0.00 0.12 0.00 0.00 56.93 57.40 2hpa s PHE 3126Cb -0.20 -4.17 0.17 0.00 -0.57 0.00 0.00 43.02 38.25 2hpa s PHE 3126CO 0.23 -5.13 1.18 0.54 -0.10 0.00 0.00 175.22 171.94 2hpa n ARG 3127N 7.33 0.23 -0.96 0.44 5.12 -1.26 -4.25 116.66 123.31 2hpa n ARG 3127Ca 0.19 -0.17 -0.20 0.00 -1.93 0.00 0.00 57.85 55.74 2hpa n ARG 3127Cb 0.41 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 30.33 2hpa n ARG 3127CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2hpa n ASN 3128N -1.23 4.47 -4.09 0.55 6.94 -1.26 -4.78 115.26 115.86 2hpa n ASN 3128Ca 0.06 -3.25 -0.33 0.00 -0.02 0.00 0.00 54.58 51.04 2hpa n ASN 3128Cb 0.35 -0.82 -0.14 0.00 -2.36 0.00 0.00 39.78 36.81 2hpa n ASN 3128CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2hpa h PRO 3130N 7.81 -0.23 0.00 0.00 0.11 -1.86 -1.61 132.00 136.22 2hpa h PRO 3130Ca -0.15 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 2hpa h PRO 3130Cb 1.04 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2hpa h PRO 3130CO 0.52 -0.16 -0.05 -0.09 -0.21 0.00 0.00 178.00 178.02 2hpa h ARG 3131N -0.24 0.00 0.05 1.05 9.65 -0.59 -0.34 114.38 123.97 2hpa h ARG 3131Ca 0.08 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.76 2hpa h ARG 3131Cb 0.36 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.96 2hpa h ARG 3131CO -0.23 0.05 -0.85 0.35 2.80 0.00 0.00 179.97 182.08 2hpa h PHE 3132N 0.00 0.75 0.00 2.20 3.57 -1.68 -0.02 116.94 121.76 2hpa h PHE 3132Ca -0.00 -0.45 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 2hpa h PHE 3132Cb 0.10 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2hpa h PHE 3132CO 0.00 1.29 -0.01 1.96 -2.23 0.00 0.00 178.31 179.32 2hpa h GLN 3133N 0.00 0.00 0.04 1.11 1.08 -0.58 -1.07 115.11 115.69 2hpa h GLN 3133Ca -0.12 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2hpa h GLN 3133Cb 1.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.00 2hpa h GLN 3133CO 0.16 0.01 -0.02 1.49 -0.95 0.00 0.00 178.83 179.53 2hpa h GLU 3134N 0.00 -0.05 -0.06 1.46 4.81 -0.86 -2.52 114.58 117.36 2hpa h GLU 3134Ca -0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2hpa h GLU 3134Cb 0.03 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2hpa h GLU 3134CO 0.00 0.56 0.05 -0.07 -0.73 0.00 0.00 179.01 178.82 2hpa h LEU 3135N -0.72 0.03 0.34 1.64 3.38 0.10 -1.66 115.31 118.41 2hpa h LEU 3135Ca -0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2hpa h LEU 3135Cb 0.63 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2hpa h LEU 3135CO 0.01 0.02 -0.16 -0.33 0.09 0.00 0.00 178.44 178.07 2hpa h GLU 3136N 0.03 -0.44 -0.75 1.13 5.08 -1.15 -0.89 114.58 117.60 2hpa h GLU 3136Ca 0.03 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.59 2hpa h GLU 3136Cb 0.08 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.30 2hpa h GLU 3136CO -0.00 -0.14 0.09 0.77 -1.00 0.00 0.00 179.01 178.73 2hpa h SER 3137N -0.73 -0.18 0.35 1.42 0.02 -1.02 0.19 113.55 113.61 2hpa h SER 3137Ca -0.05 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2hpa h SER 3137Cb 0.50 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2hpa h SER 3137CO 0.08 -0.13 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.14 2hpa h GLU 3138N 0.17 -0.46 -1.00 3.45 5.08 -1.24 -2.11 114.58 118.47 2hpa h GLU 3138Ca 0.42 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 59.04 2hpa h GLU 3138Cb 0.76 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.01 2hpa h GLU 3138CO -0.61 -0.28 0.62 1.15 -1.00 0.00 0.00 179.01 178.90 2hpa h THR 3139N -0.51 0.62 -0.73 1.13 2.02 0.72 0.53 112.91 116.68 2hpa h THR 3139Ca -0.05 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2hpa h THR 3139Cb 0.39 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 2hpa h THR 3139CO 0.08 0.11 0.32 -0.07 0.37 0.00 0.00 175.52 176.32 2hpa h LEU 3140N 0.58 0.96 -0.23 2.58 -0.00 -0.15 -1.86 115.31 117.19 2hpa h LEU 3140Ca 0.58 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.34 2hpa h LEU 3140Cb 1.17 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 2hpa h LEU 3140CO -0.35 0.83 -0.14 0.29 -0.00 0.00 0.00 178.44 179.08 2hpa n LYS 3141N -4.31 0.62 -2.40 1.13 5.02 0.16 -4.62 118.16 113.74 2hpa n LYS 3141Ca 0.07 -0.23 -0.37 0.00 -2.02 0.00 0.00 58.31 55.76 2hpa n LYS 3141Cb 0.16 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 2hpa n LYS 3141CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2hpa s SER 3142N -2.54 6.55 0.15 4.39 1.04 0.45 -4.96 113.70 118.76 2hpa s SER 3142Ca 0.26 2.19 -0.11 0.00 0.48 0.00 0.00 55.95 58.77 2hpa s SER 3142Cb 0.20 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.70 2hpa s SER 3142CO 0.50 -0.65 1.51 1.05 0.98 0.00 0.00 173.24 176.63 2hpa h GLU 3143N 2.43 0.97 -0.50 4.02 4.11 -1.90 -1.89 114.58 121.80 2hpa h GLU 3143Ca -0.49 -0.46 0.09 0.00 0.07 0.00 0.00 59.36 58.57 2hpa h GLU 3143Cb 1.23 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 2hpa h GLU 3143CO 0.62 1.12 0.09 1.49 0.07 0.00 0.00 179.01 182.40 2hpa h GLU 3144N 0.80 0.22 -0.01 1.06 4.57 -1.92 0.68 114.58 119.98 2hpa h GLU 3144Ca 0.09 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2hpa h GLU 3144Cb 0.88 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2hpa h GLU 3144CO 0.08 0.14 0.00 0.35 -1.18 0.00 0.00 179.01 178.41 2hpa h PHE 3145N 0.22 0.01 -0.04 0.92 3.57 -1.79 -2.22 116.94 117.62 2hpa h PHE 3145Ca 0.25 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 2hpa h PHE 3145Cb 0.35 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2hpa h PHE 3145CO -0.24 0.23 0.03 1.96 -2.23 0.00 0.00 178.31 178.07 2hpa h GLN 3146N -0.21 0.00 -0.33 1.11 1.08 -0.55 0.98 115.11 117.18 2hpa h GLN 3146Ca 0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 2hpa h GLN 3146Cb 0.23 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2hpa h GLN 3146CO 0.00 0.00 -0.46 -0.22 -0.95 0.00 0.00 178.83 177.20 2hpa h LYS 3147N 0.00 0.90 -0.19 1.46 3.11 0.72 0.00 116.57 122.57 2hpa h LYS 3147Ca 0.02 -0.52 -0.14 0.00 -2.81 0.00 0.00 60.65 57.20 2hpa h LYS 3147Cb 0.09 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2hpa h LYS 3147CO -0.00 1.17 -0.43 0.00 -2.81 0.00 0.00 179.45 177.38 2hpa h ARG 3148N 0.70 0.63 -0.22 1.90 3.08 -0.54 -3.29 114.38 116.64 2hpa h ARG 3148Ca 0.04 -0.42 -0.12 0.00 0.07 0.00 0.00 59.98 59.55 2hpa h ARG 3148Cb 1.06 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2hpa h ARG 3148CO 0.11 1.04 -0.37 1.25 -1.07 0.00 0.00 179.97 180.92 2hpa h LEU 3149N 0.31 0.51 -0.70 3.04 5.85 -0.83 -3.37 115.31 120.11 2hpa h LEU 3149Ca 0.00 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.62 2hpa h LEU 3149Cb 1.04 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.80 2hpa h LEU 3149CO 0.09 0.84 -0.40 -0.74 -0.34 0.00 0.00 178.44 177.89 2hpa h HIS 3150N 0.41 -1.16 0.00 1.25 2.76 -1.06 -0.86 115.15 116.48 2hpa h HIS 3150Ca 0.04 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2hpa h HIS 3150Cb 0.84 0.61 0.00 0.00 1.55 0.00 0.00 27.41 30.41 2hpa h HIS 3150CO 0.03 -0.40 0.51 -1.35 -1.30 0.00 0.00 177.93 175.41 2hpa h PRO 3151N -0.14 0.00 0.00 5.26 0.11 -1.77 -0.89 132.00 134.56 2hpa h PRO 3151Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2hpa h PRO 3151Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2hpa h PRO 3151CO -0.77 0.00 -1.55 0.66 -0.21 0.00 0.00 178.00 176.13 2hpa n TYR 3152N -2.76 0.30 -0.19 0.65 4.02 -0.33 -4.62 117.16 114.22 2hpa n TYR 3152Ca -0.01 0.09 0.05 0.00 -0.01 0.00 0.00 57.90 58.01 2hpa n TYR 3152Cb 0.54 -0.59 0.11 0.00 -0.02 0.00 0.00 39.34 39.38 2hpa n TYR 3152CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2hpa n LYS 3153N -2.29 -0.05 0.08 -0.72 4.01 -0.34 0.34 118.16 119.19 2hpa n LYS 3153Ca -0.02 0.84 -0.13 0.00 -0.51 0.00 0.00 58.31 58.49 2hpa n LYS 3153Cb 0.53 -1.28 -0.08 0.00 -0.51 0.00 0.00 35.03 33.69 2hpa n LYS 3153CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2hpa h ASP 3154N 0.00 -0.16 -0.28 4.39 3.58 -1.82 -2.27 116.42 119.86 2hpa h ASP 3154Ca 0.29 -0.23 0.06 0.00 0.42 0.00 0.00 57.03 57.56 2hpa h ASP 3154Cb 0.50 0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 2hpa h ASP 3154CO -0.54 0.15 -0.13 0.15 -2.88 0.00 0.00 179.24 175.99 2hpa h PHE 3155N -0.49 -0.31 -0.36 0.28 3.57 -0.42 -1.92 116.94 117.29 2hpa h PHE 3155Ca -0.02 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.58 2hpa h PHE 3155Cb 0.39 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 2hpa h PHE 3155CO 0.02 -0.20 -0.10 0.82 -2.23 0.00 0.00 178.31 176.63 2hpa h ILE 3156N -0.09 0.63 -0.50 1.41 2.04 -1.17 0.19 117.51 120.01 2hpa h ILE 3156Ca 0.15 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.08 2hpa h ILE 3156Cb 0.31 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2hpa h ILE 3156CO -0.34 0.00 0.16 0.00 0.00 0.00 0.00 178.15 177.97 2hpa h ALA 3157N 1.35 0.61 -0.19 1.87 0.00 -0.90 -1.96 119.26 120.03 2hpa h ALA 3157Ca 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2hpa h ALA 3157Cb 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2hpa h ALA 3157CO -0.38 -0.24 0.05 1.15 0.00 0.00 0.00 179.25 179.83 2hpa h THR 3158N 0.32 1.20 -0.66 0.00 2.02 -0.68 -3.10 112.91 112.01 2hpa h THR 3158Ca 0.25 -0.65 0.14 0.00 0.77 0.00 0.00 66.41 66.92 2hpa h THR 3158Cb 0.29 1.26 -0.11 0.00 -1.74 0.00 0.00 68.15 67.85 2hpa h THR 3158CO -0.27 0.20 0.05 0.25 0.37 0.00 0.00 175.52 176.12 2hpa h LEU 3159N 0.13 -0.19 -1.27 2.58 7.12 0.03 -0.73 115.31 122.98 2hpa h LEU 3159Ca 0.06 0.15 0.16 0.00 0.13 0.00 0.00 57.88 58.38 2hpa h LEU 3159Cb 0.26 0.25 -0.08 0.00 -0.53 0.00 0.00 40.66 40.57 2hpa h LEU 3159CO 0.00 -0.10 0.59 1.23 -0.13 0.00 0.00 178.44 180.03 2hpa h GLY 3160N 0.16 1.25 0.98 3.75 0.00 -1.30 0.47 103.07 108.39 2hpa h GLY 3160Ca 0.36 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2hpa h GLY 3160CO -0.53 0.06 -0.09 0.50 0.00 0.00 0.00 176.54 176.47 2hpa h LYS 3161N 0.67 0.77 0.01 4.80 1.79 -1.21 -0.42 116.57 122.98 2hpa h LYS 3161Ca 0.47 -0.29 -0.20 0.00 -2.18 0.00 0.00 60.65 58.45 2hpa h LYS 3161Cb 0.81 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.43 2hpa h LYS 3161CO -0.23 0.90 -0.79 -0.07 -1.08 0.00 0.00 179.45 178.19 2hpa h LEU 3162N 0.58 0.67 -0.34 2.94 3.38 -0.80 -3.32 115.31 118.42 2hpa h LEU 3162Ca 0.10 -0.76 -0.19 0.00 0.09 0.00 0.00 57.88 57.11 2hpa h LEU 3162Cb 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2hpa h LEU 3162CO 0.04 1.35 -0.78 0.77 0.09 0.00 0.00 178.44 179.91 2hpa h SER 3163N 0.07 0.49 0.00 -0.43 4.64 -0.22 -3.44 113.55 114.66 2hpa h SER 3163Ca -0.10 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2hpa h SER 3163Cb 1.48 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2hpa h SER 3163CO 0.15 1.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.82 2hpa n GLY 3164N 0.65 1.73 3.59 -0.77 0.00 -0.17 -2.07 105.19 108.15 2hpa n GLY 3164Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2hpa n GLY 3164CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2hpa s LEU 3165N 0.00 3.20 -0.19 0.99 2.34 -1.20 -4.85 118.68 118.98 2hpa s LEU 3165Ca 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 54.13 54.13 2hpa s LEU 3165Cb 0.00 -1.71 -0.02 0.00 -0.56 0.00 0.00 46.19 43.90 2hpa s LEU 3165CO 0.00 0.36 -0.02 -1.00 -1.06 0.00 0.00 176.35 174.63 2hpa s HIS 3166N -0.83 3.02 0.00 3.48 3.76 -1.26 -4.11 115.29 119.36 2hpa s HIS 3166Ca 0.13 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2hpa s HIS 3166Cb -0.11 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.54 2hpa s HIS 3166CO 0.02 -0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.13 2hpa n GLY 3167N 4.03 0.19 0.00 -2.22 0.00 -1.26 -4.99 105.19 100.95 2hpa n GLY 3167Ca -0.17 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2hpa n GLY 3167CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2hpa n GLN 3168N 0.00 0.05 -1.99 1.61 7.27 -1.26 -4.59 117.38 118.48 2hpa n GLN 3168Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 2hpa n GLN 3168Cb 0.00 -1.15 -0.03 0.00 2.41 0.00 0.00 30.24 31.47 2hpa n GLN 3168CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2hpa s ASP 3169N -1.96 5.68 0.53 1.69 2.15 -1.26 -4.84 116.67 118.66 2hpa s ASP 3169Ca 0.01 1.08 0.21 0.00 0.43 0.00 0.00 52.55 54.28 2hpa s ASP 3169Cb 0.00 -2.53 1.36 0.00 -0.30 0.00 0.00 42.92 41.45 2hpa s ASP 3169CO 0.01 -1.91 2.07 -0.07 -0.17 0.00 0.00 175.17 175.10 2hpa h LEU 3170N 14.57 0.00 -1.22 -1.34 3.38 -1.94 0.30 115.31 129.06 2hpa h LEU 3170Ca -0.32 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 2hpa h LEU 3170Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2hpa h LEU 3170CO 1.08 0.00 -0.18 0.15 0.09 0.00 0.00 178.44 179.57 2hpa h PHE 3171N 0.00 0.34 0.21 1.13 3.04 -1.92 0.78 116.94 120.51 2hpa h PHE 3171Ca 0.13 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 2hpa h PHE 3171Cb 0.53 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.95 2hpa h PHE 3171CO 0.00 0.49 -0.10 0.78 -2.02 0.00 0.00 178.31 177.46 2hpa h GLY 3172N 0.89 -0.29 -0.24 2.40 0.00 -0.76 0.75 103.07 105.82 2hpa h GLY 3172Ca 0.05 0.11 0.23 0.00 0.00 0.00 0.00 47.33 47.72 2hpa h GLY 3172CO 0.03 -0.10 0.42 -2.22 0.00 0.00 0.00 176.54 174.67 2hpa h ILE 3173N -0.78 0.45 0.24 2.60 1.08 -0.95 0.30 117.51 120.45 2hpa h ILE 3173Ca -0.03 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2hpa h ILE 3173Cb 0.51 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 2hpa h ILE 3173CO 0.05 0.07 -0.11 -0.25 -0.69 0.00 0.00 178.15 177.22 2hpa h TRP 3174N 0.40 -0.29 -0.05 1.37 7.01 -0.77 0.37 115.95 123.99 2hpa h TRP 3174Ca 0.59 -0.01 -0.23 0.00 2.11 0.00 0.00 58.89 61.35 2hpa h TRP 3174Cb 1.14 0.10 0.01 0.00 -2.10 0.00 0.00 29.16 28.31 2hpa h TRP 3174CO -0.12 0.06 -0.90 0.66 -2.79 0.00 0.00 178.44 175.36 2hpa h SER 3175N -0.93 0.72 0.34 2.65 4.64 -0.42 -0.66 113.55 119.89 2hpa h SER 3175Ca -0.03 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2hpa h SER 3175Cb 0.49 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2hpa h SER 3175CO 0.05 1.32 -0.75 0.29 -0.87 0.00 0.00 176.83 176.87 2hpa n LYS 3176N -3.83 0.06 0.01 4.77 5.02 0.10 -4.47 118.16 119.82 2hpa n LYS 3176Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2hpa n LYS 3176Cb 0.81 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 2hpa n LYS 3176CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2hpa n VAL 3177N -1.60 0.02 0.21 -0.18 3.14 -1.05 -0.34 118.33 118.53 2hpa n VAL 3177Ca 0.04 0.01 -0.08 0.00 -2.96 0.00 0.00 64.34 61.35 2hpa n VAL 3177Cb 0.35 -0.69 -0.04 0.00 -1.06 0.00 0.00 33.84 32.40 2hpa n VAL 3177CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 2hpa h TYR 3178N 0.00 -0.50 -0.89 1.45 3.20 -0.95 -2.34 116.97 116.94 2hpa h TYR 3178Ca 0.00 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.97 2hpa h TYR 3178Cb 0.18 0.17 -0.13 0.00 1.54 0.00 0.00 36.73 38.48 2hpa h TYR 3178CO 0.00 -0.31 -0.48 0.22 -1.64 0.00 0.00 178.16 175.95 2hpa h ASP 3179N -0.54 -1.74 -0.46 -2.11 3.58 -1.36 0.14 116.42 113.93 2hpa h ASP 3179Ca -0.06 0.30 0.09 0.00 0.42 0.00 0.00 57.03 57.79 2hpa h ASP 3179Cb 0.41 0.82 -0.10 0.00 1.72 0.00 0.00 39.33 42.18 2hpa h ASP 3179CO 0.09 -0.28 -0.26 -0.65 -2.88 0.00 0.00 179.24 175.26 2hpa h PRO 3180N -0.06 -0.16 -0.86 0.28 0.11 -1.78 0.34 132.00 129.87 2hpa h PRO 3180Ca 0.23 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.37 2hpa h PRO 3180Cb 0.52 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.62 2hpa h PRO 3180CO -0.89 -0.11 0.56 -0.07 -0.21 0.00 0.00 178.00 177.28 2hpa h LEU 3181N -0.17 0.96 -0.23 2.35 3.38 -0.36 0.18 115.31 121.43 2hpa h LEU 3181Ca 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2hpa h LEU 3181Cb 0.50 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2hpa h LEU 3181CO -0.56 0.68 0.08 0.22 0.09 0.00 0.00 178.44 178.96 2hpa h TYR 3182N 1.13 0.35 -1.00 1.13 3.20 0.17 0.57 116.97 122.52 2hpa h TYR 3182Ca 0.33 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.18 2hpa h TYR 3182Cb -0.08 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 2hpa h TYR 3182CO -0.02 0.39 0.66 0.00 -1.64 0.00 0.00 178.16 177.56 2hpa h GLU 3184N 1.34 -0.20 -0.86 0.00 5.08 -0.45 -2.98 114.58 116.51 2hpa h GLU 3184Ca 0.37 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.85 2hpa h GLU 3184Cb -0.14 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.08 2hpa h GLU 3184CO -0.08 0.08 0.49 0.66 -1.00 0.00 0.00 179.01 179.16 2hpa h SER 3185N -0.49 0.69 -0.72 1.42 4.64 -0.33 0.79 113.55 119.55 2hpa h SER 3185Ca -0.02 0.06 0.08 0.00 -0.47 0.00 0.00 61.79 61.44 2hpa h SER 3185Cb 0.38 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 2hpa h SER 3185CO 0.04 0.38 0.47 0.58 -0.87 0.00 0.00 176.83 177.42 2hpa h VAL 3186N 0.80 0.97 -0.89 0.95 2.07 -0.85 -1.11 116.25 118.19 2hpa h VAL 3186Ca 0.42 -0.23 -0.49 0.00 0.82 0.00 0.00 66.70 67.23 2hpa h VAL 3186Cb 0.43 0.25 -0.27 0.00 -1.52 0.00 0.00 31.29 30.18 2hpa h VAL 3186CO -0.27 0.12 0.63 1.41 0.02 0.00 0.00 177.57 179.48 2hpa n HIS 3187N -4.49 2.76 -3.72 1.57 8.25 0.24 -4.92 115.22 114.91 2hpa n HIS 3187Ca 0.11 -1.93 -0.28 0.00 -0.26 0.00 0.00 57.72 55.36 2hpa n HIS 3187Cb 0.30 -0.97 -0.01 0.00 1.12 0.00 0.00 29.99 30.43 2hpa n HIS 3187CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2hpa n ASN 3188N -0.89 -3.73 -4.93 0.41 3.02 -0.42 -4.95 115.26 103.76 2hpa n ASN 3188Ca 0.54 -0.64 -0.26 0.00 -0.03 0.00 0.00 54.58 54.19 2hpa n ASN 3188Cb 1.35 -3.06 0.05 0.00 -0.61 0.00 0.00 39.78 37.51 2hpa n ASN 3188CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2hpa s PHE 3189N -3.09 3.04 -0.38 3.10 0.08 -0.99 -5.03 117.98 114.72 2hpa s PHE 3189Ca 0.55 0.46 -0.11 0.00 0.12 0.00 0.00 56.93 57.95 2hpa s PHE 3189Cb -0.29 -2.96 0.03 0.00 -0.57 0.00 0.00 43.02 39.23 2hpa s PHE 3189CO 0.68 -1.11 0.22 0.99 -0.10 0.00 0.00 175.22 175.90 2hpa s THR 3190N -3.08 4.65 0.62 0.64 2.01 -1.26 -4.61 115.64 114.61 2hpa s THR 3190Ca 0.57 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.57 2hpa s THR 3190Cb -0.11 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 2hpa s THR 3190CO 0.44 -0.24 1.16 -0.76 -0.69 0.00 0.00 174.62 174.53 2hpa s LEU 3191N 1.57 3.55 0.89 4.42 1.02 -1.26 -4.98 118.68 123.89 2hpa s LEU 3191Ca 0.02 2.22 -0.10 0.00 0.02 0.00 0.00 54.13 56.30 2hpa s LEU 3191Cb -0.19 -4.58 0.13 0.00 0.02 0.00 0.00 46.19 41.57 2hpa s LEU 3191CO 0.07 -1.62 1.14 -2.16 0.02 0.00 0.00 176.35 173.80 2hpa s PRO 3192N -3.62 1.20 0.21 1.29 0.04 -1.26 -4.88 135.00 127.98 2hpa s PRO 3192Ca 0.73 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 2hpa s PRO 3192Cb -0.26 -1.75 0.28 0.00 0.04 0.00 0.00 34.50 32.81 2hpa s PRO 3192CO 0.36 -2.49 1.64 0.66 0.04 0.00 0.00 177.00 177.21 2hpa h SER 3193N -1.76 -0.45 0.05 6.66 4.64 -2.03 -1.71 113.55 118.94 2hpa h SER 3193Ca -0.43 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2hpa h SER 3193Cb 1.26 0.34 -0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2hpa h SER 3193CO 0.43 -0.18 -0.03 4.11 -0.87 0.00 0.00 176.83 180.30 2hpa h TRP 3194N 0.05 0.00 0.00 4.77 5.08 -2.00 -3.32 115.95 120.52 2hpa h TRP 3194Ca 0.32 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.72 2hpa h TRP 3194Cb 0.51 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.70 2hpa h TRP 3194CO -0.45 0.03 2.59 0.00 -1.28 0.00 0.00 178.44 179.32 2hpa n ALA 3195N -2.42 4.26 -2.07 0.11 0.00 -0.64 -4.73 120.51 115.01 2hpa n ALA 3195Ca -0.03 -2.97 -0.26 0.00 0.00 0.00 0.00 53.44 50.18 2hpa n ALA 3195Cb 0.11 -3.41 0.04 0.00 0.00 0.00 0.00 19.45 16.19 2hpa n ALA 3195CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2hpa s THR 3196N 4.12 3.38 0.26 0.00 -4.23 -1.25 -4.79 115.64 113.12 2hpa s THR 3196Ca 0.51 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 2hpa s THR 3196Cb 0.13 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.91 2hpa s THR 3196CO 0.03 -0.34 1.65 -0.08 -0.54 0.00 0.00 174.62 175.34 2hpa h GLU 3197N -0.18 0.16 0.80 3.99 4.22 -1.95 0.34 114.58 121.97 2hpa h GLU 3197Ca -0.45 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 58.94 2hpa h GLU 3197Cb 1.27 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.49 2hpa h GLU 3197CO 0.60 0.11 -0.41 0.22 -2.18 0.00 0.00 179.01 177.35 2hpa h ASP 3198N 0.17 -0.98 -0.75 1.04 3.58 -1.95 0.86 116.42 118.39 2hpa h ASP 3198Ca 0.46 0.04 0.15 0.00 0.42 0.00 0.00 57.03 58.10 2hpa h ASP 3198Cb 0.86 0.26 -0.14 0.00 1.72 0.00 0.00 39.33 42.03 2hpa h ASP 3198CO -0.64 -0.67 -0.17 0.74 -2.88 0.00 0.00 179.24 175.62 2hpa h THR 3199N -1.10 0.26 -0.29 2.25 2.02 -1.44 0.57 112.91 115.18 2hpa h THR 3199Ca -0.11 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.11 2hpa h THR 3199Cb 0.85 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2hpa h THR 3199CO 0.17 0.00 0.03 0.24 0.37 0.00 0.00 175.52 176.33 2hpa h MET 3200N 0.01 0.13 -0.34 6.66 2.86 -0.23 0.44 114.93 124.45 2hpa h MET 3200Ca 0.36 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.05 2hpa h MET 3200Cb 0.57 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 2hpa h MET 3200CO -0.76 0.08 0.02 1.15 1.06 0.00 0.00 176.91 178.46 2hpa h THR 3201N 0.13 0.77 -0.88 2.22 2.02 0.25 0.18 112.91 117.61 2hpa h THR 3201Ca 0.13 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2hpa h THR 3201Cb 0.16 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2hpa h THR 3201CO -0.20 0.02 0.53 0.11 0.37 0.00 0.00 175.52 176.35 2hpa h LYS 3202N 0.12 1.19 -0.50 6.66 1.79 0.26 -1.59 116.57 124.50 2hpa h LYS 3202Ca 0.17 -0.11 -0.11 0.00 -2.18 0.00 0.00 60.65 58.42 2hpa h LYS 3202Cb 0.22 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2hpa h LYS 3202CO -0.26 0.83 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.75 2hpa h LEU 3203N 1.21 0.92 0.42 2.94 3.38 0.99 -2.13 115.31 123.04 2hpa h LEU 3203Ca 0.31 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2hpa h LEU 3203Cb -0.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2hpa h LEU 3203CO -0.06 1.05 -0.20 -0.09 0.09 0.00 0.00 178.44 179.23 2hpa h ARG 3204N 0.82 -0.54 -0.83 1.13 2.43 0.18 0.37 114.38 117.94 2hpa h ARG 3204Ca 0.13 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.47 2hpa h ARG 3204Cb 0.65 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.24 2hpa h ARG 3204CO 0.05 -0.32 0.43 0.93 -1.51 0.00 0.00 179.97 179.54 2hpa h GLU 3205N -0.63 0.62 -0.49 0.20 5.08 -1.33 0.57 114.58 118.59 2hpa h GLU 3205Ca -0.06 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2hpa h GLU 3205Cb 0.47 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2hpa h GLU 3205CO 0.09 0.41 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.36 2hpa h LEU 3206N 0.64 0.93 -0.24 1.33 3.38 -1.13 0.42 115.31 120.65 2hpa h LEU 3206Ca 0.45 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2hpa h LEU 3206Cb 0.60 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2hpa h LEU 3206CO -0.34 1.06 0.12 0.28 0.09 0.00 0.00 178.44 179.65 2hpa h SER 3207N 0.79 0.18 -0.65 -0.43 0.02 0.17 0.39 113.55 114.02 2hpa h SER 3207Ca 0.13 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2hpa h SER 3207Cb 0.64 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 2hpa h SER 3207CO 0.04 0.14 0.34 -0.33 -1.14 0.00 0.00 176.83 175.88 2hpa h GLU 3208N 0.26 0.93 -0.74 3.45 5.08 0.07 -0.66 114.58 122.96 2hpa h GLU 3208Ca 0.10 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2hpa h GLU 3208Cb 0.02 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 2hpa h GLU 3208CO -0.07 0.72 0.47 1.25 -1.00 0.00 0.00 179.01 180.38 2hpa h LEU 3209N 0.90 0.87 -0.35 1.33 5.85 0.77 -1.74 115.31 122.95 2hpa h LEU 3209Ca 0.23 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2hpa h LEU 3209Cb 0.08 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2hpa h LEU 3209CO -0.03 0.66 0.14 -1.28 -0.34 0.00 0.00 178.44 177.59 2hpa h SER 3210N 1.02 0.47 -0.37 1.25 0.87 0.11 0.11 113.55 117.02 2hpa h SER 3210Ca 0.27 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2hpa h SER 3210Cb -0.08 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2hpa h SER 3210CO -0.05 0.50 0.19 0.25 -0.53 0.00 0.00 176.83 177.19 2hpa h LEU 3211N 0.41 0.47 0.74 2.23 5.85 -0.80 -2.06 115.31 122.15 2hpa h LEU 3211Ca 0.12 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2hpa h LEU 3211Cb 0.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2hpa h LEU 3211CO -0.01 0.44 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.98 2hpa h LEU 3212N 0.46 -1.22 -2.03 2.25 3.38 -0.92 -1.03 115.31 116.20 2hpa h LEU 3212Ca 0.13 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2hpa h LEU 3212Cb 0.08 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2hpa h LEU 3212CO -0.02 -0.72 0.27 0.77 0.09 0.00 0.00 178.44 178.83 2hpa h SER 3213N -1.15 0.00 0.03 -0.43 4.64 -0.77 0.43 113.55 116.30 2hpa h SER 3213Ca -0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2hpa h SER 3213Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2hpa h SER 3213CO 0.09 0.00 -0.02 0.25 -0.87 0.00 0.00 176.83 176.28 2hpa h LEU 3214N 0.00 -0.04 -0.63 5.97 6.46 -0.45 -3.36 115.31 123.26 2hpa h LEU 3214Ca 0.00 -0.60 0.00 0.00 -0.12 0.00 0.00 57.88 57.16 2hpa h LEU 3214Cb 0.54 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2hpa h LEU 3214CO 0.00 0.61 -0.62 -1.22 -0.62 0.00 0.00 178.44 176.59 2hpa n TYR 3215N -4.80 0.00 -0.17 1.25 4.01 -0.37 -4.94 117.16 112.14 2hpa n TYR 3215Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2hpa n TYR 3215Cb 0.31 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 2hpa n TYR 3215CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hpa n GLY 3216N 1.44 3.75 2.19 2.72 0.00 0.14 -4.56 105.19 110.87 2hpa n GLY 3216Ca 0.08 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2hpa n GLY 3216CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2hpa n ILE 3217N 0.00 -0.27 0.00 -0.61 -5.35 -1.26 -4.48 119.36 107.39 2hpa n ILE 3217Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2hpa n ILE 3217Cb 0.00 -1.08 0.00 0.00 -1.74 0.00 0.00 39.64 36.82 2hpa n ILE 3217CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 2hpa n HIS 3218N -2.59 0.00 -3.72 4.28 -0.00 -1.26 -4.61 115.22 107.32 2hpa n HIS 3218Ca -0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.34 2hpa n HIS 3218Cb 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.48 2hpa n HIS 3218CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hpa n LYS 3219N 0.00 -4.47 0.00 1.57 5.02 -1.26 -4.88 118.16 114.14 2hpa n LYS 3219Ca 0.00 0.55 -0.15 0.00 -2.02 0.00 0.00 58.31 56.69 2hpa n LYS 3219Cb 0.00 -5.36 -0.10 0.00 -0.02 0.00 0.00 35.03 29.55 2hpa n LYS 3219CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2hpa h GLN 3220N -1.60 -0.57 -0.88 1.97 4.15 -1.85 -2.15 115.11 114.18 2hpa h GLN 3220Ca -0.53 0.04 0.24 0.00 0.77 0.00 0.00 58.65 59.17 2hpa h GLN 3220Cb 1.35 0.13 -0.14 0.00 0.21 0.00 0.00 27.48 29.03 2hpa h GLN 3220CO 0.64 -0.38 0.25 0.87 -1.93 0.00 0.00 178.83 178.28 2hpa h LYS 3221N -0.59 0.21 -0.27 1.69 1.79 -1.89 0.22 116.57 117.72 2hpa h LYS 3221Ca 0.03 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 2hpa h LYS 3221Cb 0.68 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2hpa h LYS 3221CO -0.42 0.14 -0.06 1.49 -1.08 0.00 0.00 179.45 179.52 2hpa h GLU 3222N 0.21 0.52 -0.66 3.15 4.81 -1.77 -1.69 114.58 119.15 2hpa h GLU 3222Ca 0.56 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.67 2hpa h GLU 3222Cb 1.13 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 2hpa h GLU 3222CO -0.65 0.73 0.34 0.87 -0.73 0.00 0.00 179.01 179.56 2hpa h LYS 3223N 0.27 0.59 -0.71 1.92 1.57 -0.25 -1.16 116.57 118.79 2hpa h LYS 3223Ca 0.07 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2hpa h LYS 3223Cb 0.53 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 2hpa h LYS 3223CO 0.03 0.39 0.44 0.77 -0.57 0.00 0.00 179.45 180.51 2hpa h SER 3224N 0.61 0.72 0.33 0.86 0.02 -0.39 0.76 113.55 116.46 2hpa h SER 3224Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2hpa h SER 3224Cb 0.27 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2hpa h SER 3224CO -0.23 0.49 0.00 0.03 -1.14 0.00 0.00 176.83 175.98 2hpa h ARG 3225N 0.85 0.00 -0.00 3.45 3.08 -0.28 0.10 114.38 121.59 2hpa h ARG 3225Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2hpa h ARG 3225Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2hpa h ARG 3225CO -0.12 0.00 -0.80 1.28 -1.07 0.00 0.00 179.97 179.26 2hpa n LEU 3226N -2.67 0.91 0.00 3.04 4.77 0.08 -3.91 117.00 119.22 2hpa n LEU 3226Ca -0.01 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 2hpa n LEU 3226Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2hpa n LEU 3226CO 0.18 0.22 0.00 0.00 -1.33 0.00 0.00 177.39 176.46 2hpa n GLN 3227N -1.31 0.00 -0.09 3.23 1.13 -0.15 -4.72 117.38 115.46 2hpa n GLN 3227Ca 0.04 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.20 2hpa n GLN 3227Cb 0.28 0.00 0.47 0.00 0.11 0.00 0.00 30.24 31.11 2hpa n GLN 3227CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2hpa h GLY 3228N 0.00 0.64 1.86 1.08 0.00 -1.67 -2.54 103.07 102.44 2hpa h GLY 3228Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2hpa h GLY 3228CO 0.00 0.12 0.06 -1.33 0.00 0.00 0.00 176.54 175.40 2hpa h GLY 3229N 0.47 0.00 1.55 4.60 0.00 -0.97 -0.06 103.07 108.66 2hpa h GLY 3229Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.49 2hpa h GLY 3229CO -0.08 0.00 -0.32 -2.08 0.00 0.00 0.00 176.54 174.06 2hpa h VAL 3230N 0.00 1.28 0.02 4.60 2.07 -1.66 -1.14 116.25 121.43 2hpa h VAL 3230Ca 0.01 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 2hpa h VAL 3230Cb 0.14 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2hpa h VAL 3230CO -0.00 0.45 -0.01 0.25 0.02 0.00 0.00 177.57 178.28 2hpa h LEU 3231N 0.44 -0.02 -0.93 2.57 6.46 -1.24 -2.68 115.31 119.92 2hpa h LEU 3231Ca 0.05 -0.73 0.24 0.00 -0.12 0.00 0.00 57.88 57.32 2hpa h LEU 3231Cb 0.77 0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 40.58 2hpa h LEU 3231CO 0.06 0.79 0.43 0.58 -0.62 0.00 0.00 178.44 179.68 2hpa h VAL 3232N -0.91 0.44 -0.09 1.05 2.07 -1.13 0.42 116.25 118.10 2hpa h VAL 3232Ca -0.00 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2hpa h VAL 3232Cb 0.75 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2hpa h VAL 3232CO 0.00 0.07 0.03 -1.13 0.02 0.00 0.00 177.57 176.56 2hpa h ASN 3233N 0.39 0.13 -0.14 0.57 -0.00 -1.26 0.38 115.58 115.65 2hpa h ASN 3233Ca 0.60 -0.20 0.04 0.00 -0.00 0.00 0.00 56.30 56.74 2hpa h ASN 3233Cb 1.19 -0.03 -0.07 0.00 -0.00 0.00 0.00 38.32 39.41 2hpa h ASN 3233CO -0.55 0.30 -0.40 -0.08 -0.00 0.00 0.00 177.43 176.70 2hpa h GLU 3234N -0.05 -0.45 0.15 6.67 4.57 0.09 -0.99 114.58 124.56 2hpa h GLU 3234Ca 0.03 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2hpa h GLU 3234Cb 0.22 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2hpa h GLU 3234CO -0.00 -0.30 -0.11 0.82 -1.18 0.00 0.00 179.01 178.24 2hpa h ILE 3235N -0.47 0.76 -0.67 2.32 2.04 -0.81 -2.48 117.51 118.21 2hpa h ILE 3235Ca 0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 2hpa h ILE 3235Cb 0.61 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 2hpa h ILE 3235CO -0.39 0.00 0.24 0.25 0.00 0.00 0.00 178.15 178.25 2hpa h LEU 3236N -0.26 0.21 -0.50 1.44 6.46 -0.67 -1.38 115.31 120.62 2hpa h LEU 3236Ca -0.01 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2hpa h LEU 3236Cb 0.23 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 2hpa h LEU 3236CO -0.01 0.11 0.33 0.78 -0.62 0.00 0.00 178.44 179.03 2hpa h ASN 3237N 0.40 0.57 -0.60 1.25 -0.26 -1.00 0.67 115.58 116.61 2hpa h ASN 3237Ca 0.35 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 56.12 2hpa h ASN 3237Cb 0.48 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 37.56 2hpa h ASN 3237CO -0.36 0.41 0.34 0.45 -1.06 0.00 0.00 177.43 177.22 2hpa h HIS 3238N 0.67 0.64 -0.73 1.19 3.86 -0.83 0.17 115.15 120.11 2hpa h HIS 3238Ca 0.18 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2hpa h HIS 3238Cb -0.08 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.16 2hpa h HIS 3238CO -0.04 0.33 0.44 0.52 0.86 0.00 0.00 177.93 180.05 2hpa h MET 3239N 0.66 1.00 -0.19 2.45 2.86 -0.71 0.71 114.93 121.71 2hpa h MET 3239Ca 0.26 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2hpa h MET 3239Cb 0.10 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2hpa h MET 3239CO -0.14 0.71 0.10 0.87 1.06 0.00 0.00 176.91 179.51 2hpa h LYS 3240N 1.00 0.26 -0.66 1.72 1.57 0.59 -1.73 116.57 119.33 2hpa h LYS 3240Ca 0.26 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2hpa h LYS 3240Cb -0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2hpa h LYS 3240CO -0.05 0.26 0.36 0.00 -0.57 0.00 0.00 179.45 179.46 2hpa h ARG 3241N 0.19 0.91 0.00 3.15 3.08 -0.04 0.20 114.38 121.87 2hpa h ARG 3241Ca 0.07 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2hpa h ARG 3241Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2hpa h ARG 3241CO -0.01 0.68 0.09 0.00 -1.07 0.00 0.00 179.97 179.66 2hpa n ALA 3242N -2.33 0.89 -0.03 0.04 0.00 0.24 0.06 120.51 119.38 2hpa n ALA 3242Ca 0.05 0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 2hpa n ALA 3242Cb 0.08 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 2hpa n ALA 3242CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hpa n THR 3243N -1.91 1.03 -0.10 0.00 -1.04 0.64 -4.53 114.28 108.38 2hpa n THR 3243Ca -0.01 -0.72 -0.12 0.00 -2.04 0.00 0.00 64.05 61.16 2hpa n THR 3243Cb 0.11 -0.48 -0.14 0.00 -1.82 0.00 0.00 70.33 68.00 2hpa n THR 3243CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hpa n GLN 3244N -2.70 0.79 -3.95 -2.82 6.02 0.80 -4.92 117.38 110.60 2hpa n GLN 3244Ca -0.18 0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.50 2hpa n GLN 3244Cb 0.92 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 30.54 2hpa n GLN 3244CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2hpa s ILE 3245N -2.47 3.07 0.61 5.09 -5.25 0.11 -5.09 121.20 117.25 2hpa s ILE 3245Ca -0.17 -0.65 -0.13 0.00 -0.99 0.00 0.00 60.65 58.71 2hpa s ILE 3245Cb 0.07 -2.40 -0.04 0.00 2.95 0.00 0.00 42.46 43.03 2hpa s ILE 3245CO 0.72 0.41 1.03 -2.16 -1.79 0.00 0.00 174.94 173.15 2hpa s PRO 3246N 1.42 3.49 -0.46 0.37 0.04 -1.26 -3.45 135.00 135.16 2hpa s PRO 3246Ca 0.05 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2hpa s PRO 3246Cb -0.14 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2hpa s PRO 3246CO -0.05 -0.65 0.00 0.43 0.04 0.00 0.00 177.00 176.76 2hpa n SER 3247N -2.43 -3.58 -4.84 6.66 7.64 -1.26 -5.02 113.62 110.80 2hpa n SER 3247Ca 0.07 0.11 -0.27 0.00 1.01 0.00 0.00 58.87 59.78 2hpa n SER 3247Cb 0.54 -1.46 0.09 0.00 -1.01 0.00 0.00 64.21 62.37 2hpa n SER 3247CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2hpa s TYR 3248N -2.14 2.77 0.32 1.43 5.04 -1.22 -4.95 117.35 118.59 2hpa s TYR 3248Ca 0.00 0.52 -0.29 0.00 -2.44 0.00 0.00 57.07 54.86 2hpa s TYR 3248Cb 0.00 -3.38 -0.12 0.00 0.35 0.00 0.00 41.96 38.81 2hpa s TYR 3248CO 0.00 -1.67 1.41 1.63 -1.34 0.00 0.00 175.55 175.58 2hpa n LYS 3249N -3.14 2.31 0.03 4.97 4.76 -1.26 -4.83 118.16 121.00 2hpa n LYS 3249Ca 0.09 0.81 -0.22 0.00 -2.87 0.00 0.00 58.31 56.12 2hpa n LYS 3249Cb 0.61 -2.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.18 2hpa n LYS 3249CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2hpa h LYS 3250N 3.40 0.31 -3.62 1.97 1.57 -1.02 -3.45 116.57 115.73 2hpa h LYS 3250Ca -0.47 -0.54 -0.26 0.00 -1.87 0.00 0.00 60.65 57.52 2hpa h LYS 3250Cb 1.26 0.20 -0.31 0.00 0.08 0.00 0.00 32.23 33.47 2hpa h LYS 3250CO 0.69 1.26 -0.72 -1.17 -0.57 0.00 0.00 179.45 178.94 2hpa s LEU 3251N -7.21 1.55 -0.14 2.94 2.96 -0.63 -0.60 118.68 117.55 2hpa s LEU 3251Ca -0.20 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 2hpa s LEU 3251Cb 0.06 -0.01 0.02 0.00 0.50 0.00 0.00 46.19 46.76 2hpa s LEU 3251CO 0.80 -0.06 -0.14 -0.63 -1.32 0.00 0.00 176.35 175.00 2hpa s ILE 3252N 0.51 1.51 -0.17 6.68 1.01 -0.88 -1.47 121.20 128.40 2hpa s ILE 3252Ca -0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 2hpa s ILE 3252Cb -0.06 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2hpa s ILE 3252CO -0.01 0.45 -0.01 -0.04 0.00 0.00 0.00 174.94 175.33 2hpa s MET 3253N 1.43 3.75 -0.36 2.79 -1.94 0.28 -1.86 119.30 123.39 2hpa s MET 3253Ca 0.03 -0.47 -0.03 0.00 -1.71 0.00 0.00 55.69 53.51 2hpa s MET 3253Cb -0.13 -3.01 0.08 0.00 2.01 0.00 0.00 34.83 33.78 2hpa s MET 3253CO -0.09 0.23 0.12 0.71 -0.01 0.00 0.00 175.02 175.98 2hpa s TYR 3254N 0.41 3.41 -0.32 -0.03 2.02 0.19 -0.80 117.35 122.23 2hpa s TYR 3254Ca -0.02 -2.02 -0.25 0.00 -0.37 0.00 0.00 57.07 54.42 2hpa s TYR 3254Cb -0.14 -2.66 0.01 0.00 -0.40 0.00 0.00 41.96 38.77 2hpa s TYR 3254CO 0.02 -0.87 0.85 0.45 -1.57 0.00 0.00 175.55 174.43 2hpa s SER 3255N 1.57 6.70 0.00 2.29 0.15 0.12 -1.31 113.70 123.22 2hpa s SER 3255Ca 0.02 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2hpa s SER 3255Cb -0.21 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2hpa s SER 3255CO -0.02 -0.69 0.00 0.00 1.20 0.00 0.00 173.24 173.73 2hpa n ALA 3256N 6.38 0.00 -2.54 5.45 0.00 0.22 -2.26 120.51 127.76 2hpa n ALA 3256Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 2hpa n ALA 3256Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 2hpa n ALA 3256CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2hpa s HIS 3257N -0.09 2.60 0.52 0.00 3.76 -1.26 -1.25 115.29 119.56 2hpa s HIS 3257Ca 0.00 -0.39 0.25 0.00 -0.15 0.00 0.00 55.06 54.77 2hpa s HIS 3257Cb 0.00 -1.47 1.55 0.00 1.11 0.00 0.00 32.58 33.77 2hpa s HIS 3257CO 0.00 0.47 2.16 0.38 -0.85 0.00 0.00 174.74 176.90 2hpa h ASP 3258N 1.77 0.00 1.00 1.40 3.04 -1.92 0.27 116.42 121.98 2hpa h ASP 3258Ca -0.43 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.28 2hpa h ASP 3258Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 2hpa h ASP 3258CO 0.65 0.06 -0.35 0.71 -2.04 0.00 0.00 179.24 178.26 2hpa h THR 3259N 0.00 0.78 -0.04 1.15 1.35 -1.96 0.08 112.91 114.27 2hpa h THR 3259Ca -0.00 -1.54 -0.22 0.00 -0.55 0.00 0.00 66.41 64.10 2hpa h THR 3259Cb 0.13 1.98 0.02 0.00 -1.73 0.00 0.00 68.15 68.54 2hpa h THR 3259CO 0.01 0.35 -0.84 0.74 -0.25 0.00 0.00 175.52 175.52 2hpa h THR 3260N 0.00 1.32 0.38 6.82 2.02 -0.72 0.21 112.91 122.94 2hpa h THR 3260Ca -0.00 -2.11 -0.02 0.00 0.77 0.00 0.00 66.41 65.05 2hpa h THR 3260Cb 0.95 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 2hpa h THR 3260CO 0.05 0.65 -0.18 0.58 0.37 0.00 0.00 175.52 176.98 2hpa h VAL 3261N 0.29 0.59 -0.61 3.16 2.07 -1.17 -0.54 116.25 120.05 2hpa h VAL 3261Ca -0.09 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2hpa h VAL 3261Cb 1.50 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2hpa h VAL 3261CO 0.17 0.08 0.37 0.77 0.02 0.00 0.00 177.57 178.97 2hpa h SER 3262N -0.78 0.73 -0.73 0.57 4.64 -1.07 -0.89 113.55 116.01 2hpa h SER 3262Ca -0.05 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2hpa h SER 3262Cb 0.52 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 2hpa h SER 3262CO 0.09 0.57 0.47 1.23 -0.87 0.00 0.00 176.83 178.32 2hpa h GLY 3263N 0.82 1.04 0.77 -0.77 0.00 -0.54 -0.52 103.07 103.87 2hpa h GLY 3263Ca 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2hpa h GLY 3263CO -0.04 0.33 0.01 -2.00 0.00 0.00 0.00 176.54 174.84 2hpa h LEU 3264N 0.94 0.08 -0.86 3.11 5.85 -0.57 -2.71 115.31 121.15 2hpa h LEU 3264Ca 0.28 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2hpa h LEU 3264Cb -0.04 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2hpa h LEU 3264CO -0.09 0.32 0.23 1.56 -0.34 0.00 0.00 178.44 180.11 2hpa h GLN 3265N -0.16 1.07 -0.64 1.25 4.20 -0.90 -1.87 115.11 118.06 2hpa h GLN 3265Ca 0.02 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.54 2hpa h GLN 3265Cb 0.27 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 2hpa h GLN 3265CO 0.00 0.91 0.40 0.52 -0.67 0.00 0.00 178.83 179.99 2hpa h MET 3266N 1.03 0.76 -0.10 1.46 2.86 -1.09 0.81 114.93 120.66 2hpa h MET 3266Ca 0.23 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2hpa h MET 3266Cb 0.28 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2hpa h MET 3266CO -0.01 0.51 -0.12 0.00 1.06 0.00 0.00 176.91 178.35 2hpa h ALA 3267N 1.27 1.62 -0.00 6.32 0.00 -1.07 -0.72 119.26 126.67 2hpa h ALA 3267Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2hpa h ALA 3267Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2hpa h ALA 3267CO -0.10 0.28 -0.45 1.28 0.00 0.00 0.00 179.25 180.26 2hpa n LEU 3268N -4.32 0.59 -2.64 0.00 4.77 -0.49 -4.93 117.00 109.97 2hpa n LEU 3268Ca -0.01 -0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.74 2hpa n LEU 3268Cb 0.24 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2hpa n LEU 3268CO 0.37 0.14 0.11 0.47 -1.33 0.00 0.00 177.39 177.14 2hpa n ASP 3269N -1.34 -5.24 -0.01 -1.43 8.00 0.26 -4.54 116.55 112.26 2hpa n ASP 3269Ca 0.07 -0.33 0.01 0.00 0.71 0.00 0.00 54.79 55.25 2hpa n ASP 3269Cb 0.34 -3.95 0.01 0.00 -0.02 0.00 0.00 41.12 37.50 2hpa n ASP 3269CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2hpa n VAL 3270N -4.34 0.87 -2.10 2.53 0.24 -0.04 -4.50 118.33 110.98 2hpa n VAL 3270Ca -0.03 -0.89 -0.42 0.00 -2.04 0.00 0.00 64.34 60.96 2hpa n VAL 3270Cb 0.57 0.54 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 2hpa n VAL 3270CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2hpa s TYR 3271N -0.92 3.16 -1.79 6.34 5.04 -1.20 -4.93 117.35 123.04 2hpa s TYR 3271Ca 0.02 0.96 0.29 0.00 -2.44 0.00 0.00 57.07 55.90 2hpa s TYR 3271Cb 0.02 -3.74 1.26 0.00 0.35 0.00 0.00 41.96 39.85 2hpa s TYR 3271CO 0.00 -2.55 1.88 0.27 -1.34 0.00 0.00 175.55 173.81 2hpa n ASN 3272N 3.34 0.56 0.00 4.32 0.23 -1.26 -4.94 115.26 117.50 2hpa n ASN 3272Ca 0.10 -0.75 0.00 0.00 -0.53 0.00 0.00 54.58 53.40 2hpa n ASN 3272Cb 0.41 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2hpa n ASN 3272CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hpa n GLY 3273N 1.24 2.93 3.87 4.83 0.00 -1.26 -5.01 105.19 111.79 2hpa n GLY 3273Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2hpa n GLY 3273CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hpa s LEU 3274N 0.00 3.65 -0.02 0.99 1.43 -1.26 -4.84 118.68 118.63 2hpa s LEU 3274Ca 0.00 1.24 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 2hpa s LEU 3274Cb 0.00 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 2hpa s LEU 3274CO 0.00 -0.55 1.37 -0.76 0.23 0.00 0.00 176.35 176.64 2hpa s LEU 3275N -4.26 4.30 -0.44 1.79 1.43 -1.26 -4.93 118.68 115.31 2hpa s LEU 3275Ca 0.53 2.04 -0.33 0.00 -1.03 0.00 0.00 54.13 55.34 2hpa s LEU 3275Cb -0.10 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.44 2hpa s LEU 3275CO 0.37 -0.71 2.29 -2.65 0.23 0.00 0.00 176.35 175.89 2hpa n PRO 3276N 5.50 0.99 -0.84 1.29 -0.02 -1.26 -4.90 135.00 135.75 2hpa n PRO 3276Ca 0.13 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 2hpa n PRO 3276Cb 0.44 -2.56 0.15 0.00 -0.02 0.00 0.00 33.50 31.51 2hpa n PRO 3276CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2hpa s PRO 3277N 6.92 1.29 0.28 0.52 0.04 -1.26 -4.83 135.00 137.96 2hpa s PRO 3277Ca 1.10 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 2hpa s PRO 3277Cb -0.76 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 31.88 2hpa s PRO 3277CO 0.44 -2.40 1.27 0.66 0.04 0.00 0.00 177.00 177.00 2hpa n TYR 3278N -4.07 1.95 -0.76 0.56 4.01 -1.26 -0.77 117.16 116.82 2hpa n TYR 3278Ca 0.11 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 2hpa n TYR 3278Cb 0.52 -2.39 0.00 0.00 -0.31 0.00 0.00 39.34 37.17 2hpa n TYR 3278CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hpa n ALA 3279N 1.00 0.00 -1.74 -0.72 0.00 -0.75 -4.92 120.51 113.38 2hpa n ALA 3279Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 2hpa n ALA 3279Cb 0.32 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 2hpa n ALA 3279CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2hpa n SER 3280N -0.21 3.29 -3.89 0.00 3.41 0.05 -4.65 113.62 111.63 2hpa n SER 3280Ca 0.00 1.22 -0.20 0.00 -0.26 0.00 0.00 58.87 59.62 2hpa n SER 3280Cb 0.10 -1.56 -0.16 0.00 -0.26 0.00 0.00 64.21 62.33 2hpa n SER 3280CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hpa s HIS 3282N 0.97 3.10 -0.08 0.00 5.04 -1.11 -0.16 115.29 123.05 2hpa s HIS 3282Ca -0.10 -0.56 -0.20 0.00 -1.54 0.00 0.00 55.06 52.66 2hpa s HIS 3282Cb -0.14 -3.36 -0.04 0.00 0.04 0.00 0.00 32.58 29.07 2hpa s HIS 3282CO -0.00 -0.93 0.56 -0.51 -2.34 0.00 0.00 174.74 171.52 2hpa s LEU 3283N 2.38 4.32 -0.37 8.88 2.01 0.52 -2.36 118.68 134.06 2hpa s LEU 3283Ca 0.13 0.99 0.01 0.00 0.01 0.00 0.00 54.13 55.27 2hpa s LEU 3283Cb -0.19 -2.85 0.12 0.00 0.01 0.00 0.00 46.19 43.28 2hpa s LEU 3283CO 0.12 -0.01 0.18 0.28 1.01 0.00 0.00 176.35 177.93 2hpa s THR 3284N 0.48 1.01 -0.13 5.49 -1.32 -0.28 -0.35 115.64 120.53 2hpa s THR 3284Ca 0.30 -1.97 -0.12 0.00 -1.21 0.00 0.00 61.69 58.69 2hpa s THR 3284Cb -0.16 -1.73 -0.05 0.00 -1.51 0.00 0.00 72.50 69.04 2hpa s THR 3284CO 0.14 -0.82 0.26 -1.61 -2.21 0.00 0.00 174.62 170.38 2hpa s GLU 3285N 0.97 4.03 -0.24 7.08 2.02 0.29 -2.21 118.70 130.64 2hpa s GLU 3285Ca 0.14 0.06 -0.09 0.00 0.02 0.00 0.00 54.97 55.10 2hpa s GLU 3285Cb -0.21 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 2hpa s GLU 3285CO -0.10 0.43 0.13 -1.17 0.02 0.00 0.00 175.26 174.57 2hpa s LEU 3286N -0.10 3.88 0.16 1.80 2.96 0.56 0.56 118.68 128.51 2hpa s LEU 3286Ca 0.16 0.00 0.08 0.00 -0.22 0.00 0.00 54.13 54.16 2hpa s LEU 3286Cb -0.13 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2hpa s LEU 3286CO 0.05 0.03 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.73 2hpa s TYR 3287N 1.23 2.70 -0.09 5.38 2.02 0.11 -0.52 117.35 128.18 2hpa s TYR 3287Ca 0.06 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 2hpa s TYR 3287Cb -0.14 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 2hpa s TYR 3287CO 0.05 0.50 -0.16 0.12 -1.57 0.00 0.00 175.55 174.49 2hpa s PHE 3288N -1.62 2.69 -0.27 2.71 5.36 0.36 -0.07 117.98 127.14 2hpa s PHE 3288Ca 0.25 -0.54 -0.02 0.00 -0.96 0.00 0.00 56.93 55.65 2hpa s PHE 3288Cb -0.09 -1.73 0.16 0.00 -0.34 0.00 0.00 43.02 41.02 2hpa s PHE 3288CO 0.16 -0.11 0.50 -2.00 -1.46 0.00 0.00 175.22 172.31 2hpa s GLU 3289N -0.07 0.47 -1.24 10.12 2.56 0.35 -1.56 118.70 129.33 2hpa s GLU 3289Ca -0.04 0.82 -0.03 0.00 0.00 0.00 0.00 54.97 55.72 2hpa s GLU 3289Cb -0.14 0.12 -0.01 0.00 2.00 0.00 0.00 34.13 36.10 2hpa s GLU 3289CO 0.04 -0.60 0.77 1.63 -0.56 0.00 0.00 175.26 176.54 2hpa n LYS 3290N 5.40 -4.34 -0.89 4.30 5.02 -1.26 -1.22 118.16 125.17 2hpa n LYS 3290Ca -0.03 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2hpa n LYS 3290Cb 0.50 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 2hpa n LYS 3290CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hpa n GLY 3291N -1.49 0.80 3.48 0.72 0.00 -1.26 -5.00 105.19 102.44 2hpa n GLY 3291Ca -0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 2hpa n GLY 3291CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hpa s GLU 3292N -0.20 1.73 0.03 1.61 2.02 -0.36 -5.14 118.70 118.38 2hpa s GLU 3292Ca 0.00 -1.28 0.06 0.00 0.02 0.00 0.00 54.97 53.76 2hpa s GLU 3292Cb 0.00 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.16 2hpa s GLU 3292CO 0.00 0.45 -0.14 0.71 0.02 0.00 0.00 175.26 176.31 2hpa s TYR 3293N -1.33 2.69 -0.00 1.61 2.02 -1.26 0.13 117.35 121.21 2hpa s TYR 3293Ca 0.19 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 2hpa s TYR 3293Cb -0.10 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 2hpa s TYR 3293CO 0.10 0.30 -0.08 -0.06 -1.57 0.00 0.00 175.55 174.24 2hpa s PHE 3294N -0.95 0.71 -0.18 2.71 0.40 0.90 -1.66 117.98 119.91 2hpa s PHE 3294Ca 0.16 -0.16 -0.09 0.00 -0.60 0.00 0.00 56.93 56.23 2hpa s PHE 3294Cb -0.11 -0.45 -0.05 0.00 0.51 0.00 0.00 43.02 42.92 2hpa s PHE 3294CO 0.06 -0.01 0.13 0.08 0.70 0.00 0.00 175.22 176.18 2hpa s VAL 3295N -0.29 5.43 -0.07 -0.44 1.01 0.22 0.07 120.40 126.34 2hpa s VAL 3295Ca 0.02 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2hpa s VAL 3295Cb -0.04 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.91 2hpa s VAL 3295CO -0.00 0.48 -0.09 -1.61 0.00 0.00 0.00 175.10 173.88 2hpa s GLU 3296N 0.04 1.40 0.05 2.72 2.02 0.19 -1.65 118.70 123.47 2hpa s GLU 3296Ca 0.10 -0.28 0.09 0.00 0.02 0.00 0.00 54.97 54.89 2hpa s GLU 3296Cb -0.11 -1.28 -0.03 0.00 0.10 0.00 0.00 34.13 32.81 2hpa s GLU 3296CO -0.01 -0.07 -0.26 -1.64 0.02 0.00 0.00 175.26 173.31 2hpa s MET 3297N 0.98 1.79 0.10 1.61 -1.94 -1.26 0.10 119.30 120.68 2hpa s MET 3297Ca -0.09 -1.12 -0.01 0.00 -1.71 0.00 0.00 55.69 52.76 2hpa s MET 3297Cb -0.15 -1.99 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 2hpa s MET 3297CO 0.00 0.51 0.03 0.71 -0.01 0.00 0.00 175.02 176.26 2hpa s TYR 3298N -0.83 0.69 -0.27 -0.03 2.02 0.52 -0.53 117.35 118.92 2hpa s TYR 3298Ca 0.12 -1.14 -0.01 0.00 -0.37 0.00 0.00 57.07 55.67 2hpa s TYR 3298Cb -0.10 -0.43 0.08 0.00 -0.40 0.00 0.00 41.96 41.12 2hpa s TYR 3298CO 0.03 -0.46 0.06 -0.47 -1.57 0.00 0.00 175.55 173.13 2hpa s TYR 3299N -3.99 1.72 -1.19 2.71 5.04 0.11 -0.35 117.35 121.40 2hpa s TYR 3299Ca 0.16 -1.57 -0.17 0.00 -2.44 0.00 0.00 57.07 53.05 2hpa s TYR 3299Cb 0.08 -1.57 0.11 0.00 0.35 0.00 0.00 41.96 40.93 2hpa s TYR 3299CO -0.04 -0.80 1.52 0.50 -1.34 0.00 0.00 175.55 175.39 2hpa s ARG 3300N 1.62 3.94 0.00 4.97 3.52 0.78 -1.09 118.95 132.68 2hpa s ARG 3300Ca 0.05 -2.10 0.20 0.00 -0.13 0.00 0.00 55.73 53.75 2hpa s ARG 3300Cb -0.17 -5.26 0.50 0.00 -1.56 0.00 0.00 34.95 28.45 2hpa s ARG 3300CO -0.18 -2.00 1.42 0.27 -0.81 0.00 0.00 175.30 174.00 2hpa n ASN 3301N 7.16 3.55 -3.66 -2.12 6.94 -1.26 -1.09 115.26 124.77 2hpa n ASN 3301Ca 0.39 -1.98 -0.09 0.00 -0.02 0.00 0.00 54.58 52.89 2hpa n ASN 3301Cb 0.46 -0.35 -0.10 0.00 -2.36 0.00 0.00 39.78 37.43 2hpa n ASN 3301CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2hpa s GLU 3302N -1.15 0.33 0.23 -3.83 2.02 -1.26 -4.82 118.70 110.21 2hpa s GLU 3302Ca 0.40 0.99 -0.08 0.00 0.02 0.00 0.00 54.97 56.30 2hpa s GLU 3302Cb 0.22 0.26 0.23 0.00 0.10 0.00 0.00 34.13 34.94 2hpa s GLU 3302CO 0.29 -0.24 1.87 1.15 0.02 0.00 0.00 175.26 178.36 2hpa h THR 3303N 6.06 1.14 -0.18 3.63 2.02 -1.98 -2.66 112.91 120.94 2hpa h THR 3303Ca -0.19 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 2hpa h THR 3303Cb 1.12 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 2hpa h THR 3303CO 0.15 0.19 0.10 0.00 0.37 0.00 0.00 175.52 176.33 2hpa n GLN 3304N -4.57 1.39 -3.67 6.66 0.00 -1.26 -4.86 117.38 111.08 2hpa n GLN 3304Ca 0.10 -0.62 -0.14 0.00 0.00 0.00 0.00 57.00 56.34 2hpa n GLN 3304Cb 0.08 -1.34 -0.07 0.00 0.00 0.00 0.00 30.24 28.90 2hpa n GLN 3304CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2hpa s HIS 3305N -0.84 -0.30 0.51 2.61 5.04 -1.00 -5.14 115.29 116.16 2hpa s HIS 3305Ca 0.11 0.36 -0.22 0.00 -1.54 0.00 0.00 55.06 53.77 2hpa s HIS 3305Cb 0.09 0.22 -0.06 0.00 0.04 0.00 0.00 32.58 32.87 2hpa s HIS 3305CO 0.02 -0.54 1.31 -1.83 -2.34 0.00 0.00 174.74 171.36 2hpa s GLU 3306N -2.04 3.39 0.35 2.88 -1.05 -1.26 -4.78 118.70 116.18 2hpa s GLU 3306Ca -0.08 2.11 -0.29 0.00 -0.15 0.00 0.00 54.97 56.57 2hpa s GLU 3306Cb -0.02 -2.35 -0.11 0.00 -0.44 0.00 0.00 34.13 31.21 2hpa s GLU 3306CO 0.01 -0.95 1.54 -1.25 0.95 0.00 0.00 175.26 175.56 2hpa s PRO 3307N -2.79 4.10 -0.06 -4.83 0.04 -1.26 -4.92 135.00 125.28 2hpa s PRO 3307Ca 0.68 2.60 -0.30 0.00 0.04 0.00 0.00 61.00 64.02 2hpa s PRO 3307Cb -0.37 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 2hpa s PRO 3307CO 0.45 -0.60 1.51 0.71 0.04 0.00 0.00 177.00 179.11 2hpa s TYR 3308N -0.69 2.39 0.09 0.56 1.51 -0.25 -4.58 117.35 116.37 2hpa s TYR 3308Ca 0.57 0.52 -0.31 0.00 -1.01 0.00 0.00 57.07 56.84 2hpa s TYR 3308Cb -0.48 -3.77 -0.08 0.00 -0.11 0.00 0.00 41.96 37.52 2hpa s TYR 3308CO 0.58 -3.06 1.55 -1.25 -1.11 0.00 0.00 175.55 172.26 2hpa s PRO 3309N 3.46 4.23 0.16 -1.71 0.04 -1.26 0.09 135.00 140.02 2hpa s PRO 3309Ca 0.67 2.24 0.03 0.00 0.04 0.00 0.00 61.00 63.98 2hpa s PRO 3309Cb -0.31 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 2hpa s PRO 3309CO 0.26 -0.63 0.26 -0.51 0.04 0.00 0.00 177.00 176.41 2hpa s LEU 3310N 2.03 4.23 -0.12 -3.56 1.43 0.31 -4.90 118.68 118.09 2hpa s LEU 3310Ca 0.70 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.86 2hpa s LEU 3310Cb -0.39 -2.80 0.05 0.00 0.03 0.00 0.00 46.19 43.08 2hpa s LEU 3310CO 0.31 0.05 0.12 -0.32 0.23 0.00 0.00 176.35 176.73 2hpa s MET 3311N -3.26 0.03 -0.02 1.70 -2.45 -1.26 -4.38 119.30 109.65 2hpa s MET 3311Ca 0.34 0.23 -0.33 0.00 -1.25 0.00 0.00 55.69 54.68 2hpa s MET 3311Cb -0.11 -1.03 -0.11 0.00 1.25 0.00 0.00 34.83 34.83 2hpa s MET 3311CO 0.27 -0.49 1.89 -0.11 1.05 0.00 0.00 175.02 177.63 2hpa n LEU 3312N 5.30 3.68 -4.71 4.11 7.94 -1.26 -4.86 117.00 127.19 2hpa n LEU 3312Ca -0.05 0.96 -0.43 0.00 -1.11 0.00 0.00 56.01 55.38 2hpa n LEU 3312Cb 0.50 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 2hpa n LEU 3312CO 0.07 0.02 1.30 -0.81 -1.11 0.00 0.00 177.39 176.87 2hpa n PRO 3313N 6.64 2.62 -0.03 1.96 -0.04 -1.26 -1.09 135.00 143.79 2hpa n PRO 3313Ca 0.21 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.61 2hpa n PRO 3313Cb 0.33 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 2hpa n PRO 3313CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hpa n GLY 3314N 3.44 0.36 3.38 0.55 0.00 -1.26 -5.04 105.19 106.62 2hpa n GLY 3314Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 2hpa n GLY 3314CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpa s SER 3316N -3.45 4.71 0.18 0.00 0.01 -1.26 -4.60 113.70 109.29 2hpa s SER 3316Ca 0.33 0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.69 2hpa s SER 3316Cb 0.03 -0.79 0.08 0.00 0.21 0.00 0.00 66.02 65.55 2hpa s SER 3316CO 0.19 -1.62 1.58 -0.65 0.41 0.00 0.00 173.24 173.15 2hpa h PRO 3317N -0.50 0.92 -3.33 12.44 0.11 -1.92 -3.17 132.00 136.55 2hpa h PRO 3317Ca -0.42 -0.38 -0.79 0.00 0.11 0.00 0.00 66.00 64.51 2hpa h PRO 3317Cb 1.30 -0.04 -0.29 0.00 0.11 0.00 0.00 31.00 32.08 2hpa h PRO 3317CO 0.53 1.04 0.48 0.45 -0.21 0.00 0.00 178.00 180.28 2hpa n SER 3318N -4.11 5.62 -4.73 -2.05 2.88 -1.26 -4.40 113.62 105.56 2hpa n SER 3318Ca 0.00 -3.16 -0.42 0.00 -1.33 0.00 0.00 58.87 53.97 2hpa n SER 3318Cb 0.45 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.57 2hpa n SER 3318CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hpa s PRO 3320N 0.40 4.39 0.25 0.00 0.02 -1.26 0.73 135.00 139.53 2hpa s PRO 3320Ca 0.60 2.05 -0.06 0.00 0.02 0.00 0.00 61.00 63.61 2hpa s PRO 3320Cb -0.36 -3.19 0.45 0.00 0.02 0.00 0.00 34.50 31.42 2hpa s PRO 3320CO 0.35 -0.24 1.65 1.25 -0.33 0.00 0.00 177.00 179.68 2hpa h LEU 3321N 5.26 -0.22 -0.89 -5.54 5.85 -1.64 0.13 115.31 118.25 2hpa h LEU 3321Ca -0.45 0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.59 2hpa h LEU 3321Cb 1.21 0.29 -0.09 0.00 0.37 0.00 0.00 40.66 42.45 2hpa h LEU 3321CO 0.76 -0.14 0.50 -0.33 -0.34 0.00 0.00 178.44 178.90 2hpa h GLU 3322N 0.15 0.72 0.03 1.25 3.07 -1.90 0.25 114.58 118.16 2hpa h GLU 3322Ca 0.42 -0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 58.98 2hpa h GLU 3322Cb 0.74 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2hpa h GLU 3322CO -0.61 0.47 -1.04 -0.09 -1.40 0.00 0.00 179.01 176.34 2hpa h ARG 3323N 0.74 0.50 -0.46 2.33 2.43 -1.22 -3.12 114.38 115.58 2hpa h ARG 3323Ca 0.47 -0.58 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2hpa h ARG 3323Cb 0.61 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 2hpa h ARG 3323CO -0.33 1.21 0.20 0.35 -1.51 0.00 0.00 179.97 179.89 2hpa h PHE 3324N 0.26 0.36 -0.35 2.20 3.04 0.45 0.88 116.94 123.78 2hpa h PHE 3324Ca -0.11 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.86 2hpa h PHE 3324Cb 1.70 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 40.10 2hpa h PHE 3324CO 0.08 0.15 0.22 0.00 -2.02 0.00 0.00 178.31 176.74 2hpa h ALA 3325N 1.28 0.44 -0.32 2.41 0.00 -0.60 -1.32 119.26 121.16 2hpa h ALA 3325Ca 0.21 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2hpa h ALA 3325Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2hpa h ALA 3325CO -0.18 -0.07 -0.39 1.05 0.00 0.00 0.00 179.25 179.66 2hpa h GLU 3326N 0.46 0.76 -0.13 0.00 4.11 -1.39 -0.92 114.58 117.47 2hpa h GLU 3326Ca 0.13 -0.39 -0.10 0.00 0.07 0.00 0.00 59.36 59.07 2hpa h GLU 3326Cb -0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2hpa h GLU 3326CO -0.03 1.01 -0.37 -0.07 0.07 0.00 0.00 179.01 179.63 2hpa h LEU 3327N 0.62 0.27 -0.21 3.06 3.38 -0.69 -2.78 115.31 118.96 2hpa h LEU 3327Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2hpa h LEU 3327Cb 0.93 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2hpa h LEU 3327CO 0.09 0.63 -0.42 0.55 0.09 0.00 0.00 178.44 179.38 2hpa n VAL 3328N -4.06 0.00 -0.10 1.22 3.14 -0.51 -4.46 118.33 113.55 2hpa n VAL 3328Ca -0.01 -0.06 -0.06 0.00 -2.96 0.00 0.00 64.34 61.25 2hpa n VAL 3328Cb 0.45 0.34 0.01 0.00 -1.06 0.00 0.00 33.84 33.59 2hpa n VAL 3328CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2hpa h GLY 3329N 4.97 0.45 -0.08 7.55 0.00 -0.87 -2.42 103.07 112.67 2hpa h GLY 3329Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2hpa h GLY 3329CO 0.00 0.02 0.00 -1.55 0.00 0.00 0.00 176.54 175.01 2hpa n PRO 3330N -5.03 0.41 0.00 4.80 -0.04 -1.26 -2.17 135.00 131.72 2hpa n PRO 3330Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 2hpa n PRO 3330Cb 0.13 -1.02 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2hpa n PRO 3330CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2hpa n VAL 3331N -0.44 0.00 -3.72 0.52 3.14 -0.91 -4.83 118.33 112.09 2hpa n VAL 3331Ca 0.00 -0.45 -0.35 0.00 -2.96 0.00 0.00 64.34 60.57 2hpa n VAL 3331Cb 0.01 1.02 -0.08 0.00 -1.06 0.00 0.00 33.84 33.72 2hpa n VAL 3331CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2hpa s ILE 3332N -0.99 5.41 0.46 1.55 1.01 -0.92 -3.16 121.20 124.56 2hpa s ILE 3332Ca 0.02 0.21 -0.21 0.00 0.00 0.00 0.00 60.65 60.66 2hpa s ILE 3332Cb 0.02 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 2hpa s ILE 3332CO 0.09 0.44 1.04 -2.16 0.00 0.00 0.00 174.94 174.36 2hpa s PRO 3333N 0.33 3.90 -0.01 2.79 0.04 -1.25 -4.95 135.00 135.84 2hpa s PRO 3333Ca 0.09 1.42 0.10 0.00 0.04 0.00 0.00 61.00 62.64 2hpa s PRO 3333Cb -0.11 -2.23 -0.23 0.00 0.04 0.00 0.00 34.50 31.97 2hpa s PRO 3333CO -0.01 -0.35 0.77 1.96 0.04 0.00 0.00 177.00 179.41 2hpa h GLN 3334N 1.84 0.02 -0.44 4.56 1.08 -1.97 -3.43 115.11 116.77 2hpa h GLN 3334Ca -0.49 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 56.54 2hpa h GLN 3334Cb 1.22 0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 28.51 2hpa h GLN 3334CO 0.60 0.64 -0.38 -3.47 -0.95 0.00 0.00 178.83 175.27 2hpa n ASP 3335N -3.14 -2.70 -0.28 1.46 -0.08 -1.26 -5.03 116.55 105.52 2hpa n ASP 3335Ca -0.14 -2.57 0.20 0.00 -1.51 0.00 0.00 54.79 50.77 2hpa n ASP 3335Cb 1.03 1.49 0.38 0.00 2.34 0.00 0.00 41.12 46.35 2hpa n ASP 3335CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 2hpa n TRP 3336N 2.32 0.77 0.20 -0.67 -0.00 -1.26 0.05 117.44 118.85 2hpa n TRP 3336Ca 0.12 0.99 -0.08 0.00 -0.00 0.00 0.00 57.50 58.54 2hpa n TRP 3336Cb 0.61 -1.27 -0.04 0.00 -0.00 0.00 0.00 31.31 30.61 2hpa n TRP 3336CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2hpa h SER 3337N 0.00 -0.42 -0.96 5.87 0.87 -1.99 -0.05 113.55 116.87 2hpa h SER 3337Ca 0.61 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 61.26 2hpa h SER 3337Cb 1.49 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 63.49 2hpa h SER 3337CO -0.71 -0.30 0.61 0.71 -0.53 0.00 0.00 176.83 176.62 2hpa h THR 3338N -0.51 1.05 0.00 2.23 1.35 -1.30 0.10 112.91 115.84 2hpa h THR 3338Ca -0.05 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2hpa h THR 3338Cb 0.38 -0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.66 2hpa h THR 3338CO 0.08 0.20 0.00 -0.62 -0.25 0.00 0.00 175.52 174.93 2hpa n GLU 3339N -4.56 0.08 0.05 4.72 1.02 0.11 -0.96 120.64 121.10 2hpa n GLU 3339Ca 0.15 0.48 0.02 0.00 -0.02 0.00 0.00 57.16 57.79 2hpa n GLU 3339Cb 0.21 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 2hpa n GLU 3339CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hpa n MET 3341N -2.85 2.29 0.00 0.00 2.81 -0.13 0.11 117.12 119.35 2hpa n MET 3341Ca -0.08 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.62 2hpa n MET 3341Cb 0.79 -2.46 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 2hpa n MET 3341CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11