#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq5 s THR 3010N 0.00 2.47 -2.00 2.03 2.01 -1.26 -5.02 115.64 113.87 1sq5 s THR 3010Ca 0.00 -1.57 0.02 0.00 0.31 0.00 0.00 61.69 60.45 1sq5 s THR 3010Cb 0.00 -2.08 0.06 0.00 0.01 0.00 0.00 72.50 70.49 1sq5 s THR 3010CO 0.00 0.16 1.07 -2.65 -0.69 0.00 0.00 174.62 172.50 1sq5 n PRO 3011N 1.07 1.11 -5.09 4.92 -0.02 -1.26 -4.84 135.00 130.89 1sq5 n PRO 3011Ca -0.17 -0.17 -0.29 0.00 -2.02 0.00 0.00 63.50 60.85 1sq5 n PRO 3011Cb 0.53 -1.05 -0.16 0.00 -0.02 0.00 0.00 33.50 32.80 1sq5 n PRO 3011CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sq5 s TYR 3012N -1.94 2.10 0.27 6.00 1.51 -1.26 -1.02 117.35 123.00 1sq5 s TYR 3012Ca 0.04 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.47 1sq5 s TYR 3012Cb 0.02 -1.33 -0.09 0.00 -0.11 0.00 0.00 41.96 40.45 1sq5 s TYR 3012CO 0.03 -0.01 0.84 -0.51 -1.11 0.00 0.00 175.55 174.80 1sq5 s LEU 3013N -0.68 4.37 -0.01 -1.29 1.43 0.20 -4.85 118.68 117.85 1sq5 s LEU 3013Ca 0.09 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.91 1sq5 s LEU 3013Cb -0.09 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 1sq5 s LEU 3013CO -0.00 -0.00 -0.21 -1.58 0.23 0.00 0.00 176.35 174.79 1sq5 s GLN 3014N -1.94 1.67 -0.03 1.70 0.74 -1.26 -1.24 119.66 119.29 1sq5 s GLN 3014Ca 0.46 -0.76 -0.00 0.00 0.05 0.00 0.00 55.36 55.10 1sq5 s GLN 3014Cb -0.18 -1.63 0.03 0.00 1.10 0.00 0.00 33.01 32.33 1sq5 s GLN 3014CO 0.23 0.44 0.02 -0.06 -0.55 0.00 0.00 175.29 175.37 1sq5 s PHE 3015N -0.52 0.20 0.84 1.67 0.40 0.35 -4.99 117.98 115.92 1sq5 s PHE 3015Ca 0.08 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.38 1sq5 s PHE 3015Cb -0.08 -0.39 0.14 0.00 0.51 0.00 0.00 43.02 43.20 1sq5 s PHE 3015CO -0.01 -0.14 1.17 0.16 0.70 0.00 0.00 175.22 177.11 1sq5 s ASP 3016N 1.28 3.95 0.20 1.36 1.47 -1.26 0.30 116.67 123.96 1sq5 s ASP 3016Ca -0.06 0.29 -0.13 0.00 1.18 0.00 0.00 52.55 53.82 1sq5 s ASP 3016Cb -0.13 -0.60 0.23 0.00 -0.34 0.00 0.00 42.92 42.08 1sq5 s ASP 3016CO -0.03 -2.19 1.66 -0.09 0.68 0.00 0.00 175.17 175.20 1sq5 h ARG 3017N -1.11 0.06 -0.44 2.11 2.43 -1.50 -1.30 114.38 114.63 1sq5 h ARG 3017Ca -0.43 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 1sq5 h ARG 3017Cb 1.27 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1sq5 h ARG 3017CO 0.48 0.04 0.21 -0.91 -1.51 0.00 0.00 179.97 178.28 1sq5 h ASN 3018N 0.06 0.58 -0.71 -3.80 2.35 -1.93 -0.55 115.58 111.58 1sq5 h ASN 3018Ca 0.28 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1sq5 h ASN 3018Cb 0.44 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1sq5 h ASN 3018CO -0.52 0.54 0.38 1.56 -1.65 0.00 0.00 177.43 177.74 1sq5 h GLN 3019N 0.57 1.00 0.10 0.81 4.20 -1.82 -0.18 115.11 119.80 1sq5 h GLN 3019Ca 0.15 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1sq5 h GLN 3019Cb 0.12 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1sq5 h GLN 3019CO -0.02 0.76 -0.05 2.35 -0.67 0.00 0.00 178.83 181.20 1sq5 h TRP 3020N 0.99 -0.13 0.00 2.96 2.91 -1.04 -2.78 115.95 118.86 1sq5 h TRP 3020Ca 0.25 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.25 1sq5 h TRP 3020Cb 0.06 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1sq5 h TRP 3020CO -0.00 0.14 -0.06 0.00 -1.03 0.00 0.00 178.44 177.49 1sq5 h ALA 3021N 0.48 1.32 0.00 2.65 0.00 -1.00 -1.55 119.26 121.16 1sq5 h ALA 3021Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sq5 h ALA 3021Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sq5 h ALA 3021CO 0.02 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1sq5 n ALA 3022N -2.26 2.23 0.71 0.00 0.00 -0.09 -2.70 120.51 118.41 1sq5 n ALA 3022Ca -0.02 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1sq5 n ALA 3022Cb 0.17 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 18.63 1sq5 n ALA 3022CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sq5 n LEU 3023N -0.60 0.63 0.00 0.00 4.77 -0.58 -5.06 117.00 116.16 1sq5 n LEU 3023Ca 0.03 -0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.77 1sq5 n LEU 3023Cb 0.02 -0.13 0.19 0.00 -2.33 0.00 0.00 43.42 41.16 1sq5 n LEU 3023CO 0.03 0.07 0.40 0.54 -1.33 0.00 0.00 177.39 177.10 1sq5 n ARG 3024N -1.82 -2.86 0.00 3.23 1.74 -1.10 -5.09 116.66 110.75 1sq5 n ARG 3024Ca 0.03 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 1sq5 n ARG 3024Cb 0.40 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 1sq5 n ARG 3024CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1sq5 n MET 3029N -4.08 0.00 -3.91 5.56 2.81 -1.26 -5.15 117.12 111.08 1sq5 n MET 3029Ca 0.11 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.89 1sq5 n MET 3029Cb 0.43 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.82 1sq5 n MET 3029CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1sq5 s THR 3030N -2.88 0.06 0.18 2.03 -4.23 -1.26 -5.08 115.64 104.46 1sq5 s THR 3030Ca 0.00 -0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 59.83 1sq5 s THR 3030Cb 0.00 -0.20 -0.08 0.00 1.34 0.00 0.00 72.50 73.57 1sq5 s THR 3030CO 0.00 -0.27 0.66 -0.76 -0.54 0.00 0.00 174.62 173.71 1sq5 s LEU 3031N -0.82 4.37 0.90 4.79 1.43 -1.26 -5.08 118.68 123.01 1sq5 s LEU 3031Ca -0.09 1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 54.20 1sq5 s LEU 3031Cb -0.06 -3.41 0.13 0.00 0.03 0.00 0.00 46.19 42.89 1sq5 s LEU 3031CO -0.00 0.09 1.16 -0.94 0.23 0.00 0.00 176.35 176.89 1sq5 s SER 3032N -1.59 3.65 0.24 2.29 1.04 -1.26 -4.82 113.70 113.25 1sq5 s SER 3032Ca 0.40 0.84 -0.04 0.00 0.48 0.00 0.00 55.95 57.63 1sq5 s SER 3032Cb -0.17 -1.34 0.28 0.00 0.10 0.00 0.00 66.02 64.89 1sq5 s SER 3032CO 0.20 -2.45 1.76 1.05 0.98 0.00 0.00 173.24 174.78 1sq5 h GLU 3033N -1.43 0.92 -0.36 4.02 9.09 -1.99 -0.92 114.58 123.91 1sq5 h GLU 3033Ca -0.49 -0.22 -0.08 0.00 0.05 0.00 0.00 59.36 58.62 1sq5 h GLU 3033Cb 1.32 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 1sq5 h GLU 3033CO 0.60 0.86 -0.08 -0.44 0.05 0.00 0.00 179.01 179.99 1sq5 h ASP 3034N 0.87 0.69 -0.71 3.06 3.32 -1.99 -1.64 116.42 120.02 1sq5 h ASP 3034Ca 0.18 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1sq5 h ASP 3034Cb 0.39 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1sq5 h ASP 3034CO 0.01 0.89 0.37 -0.33 -1.72 0.00 0.00 179.24 178.46 1sq5 h GLU 3035N 0.48 1.01 -0.28 3.56 5.08 -1.86 0.40 114.58 122.98 1sq5 h GLU 3035Ca 0.09 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1sq5 h GLU 3035Cb 0.59 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1sq5 h GLU 3035CO 0.03 0.77 0.12 0.82 -1.00 0.00 0.00 179.01 179.75 1sq5 h ILE 3036N 0.99 1.17 -0.77 3.13 2.04 -1.06 -0.75 117.51 122.27 1sq5 h ILE 3036Ca 0.25 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1sq5 h ILE 3036Cb 0.08 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1sq5 h ILE 3036CO -0.04 0.17 0.50 0.00 0.00 0.00 0.00 178.15 178.78 1sq5 h ALA 3037N 0.96 0.97 -0.76 1.87 0.00 -0.98 -0.16 119.26 121.16 1sq5 h ALA 3037Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sq5 h ALA 3037Cb 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1sq5 h ALA 3037CO -0.01 0.40 0.36 -0.09 0.00 0.00 0.00 179.25 179.92 1sq5 h ARG 3038N 1.04 1.09 -0.29 0.00 2.43 -0.60 0.02 114.38 118.06 1sq5 h ARG 3038Ca 0.28 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 1sq5 h ARG 3038Cb -0.10 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.24 1sq5 h ARG 3038CO -0.06 0.84 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.82 1sq5 h LEU 3039N 1.08 0.67 -0.88 3.80 3.38 -0.32 -2.13 115.31 120.91 1sq5 h LEU 3039Ca 0.26 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1sq5 h LEU 3039Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1sq5 h LEU 3039CO -0.03 0.96 -0.14 0.11 0.09 0.00 0.00 178.44 179.43 1sq5 h LYS 3040N 0.54 0.67 0.00 1.13 1.57 -0.44 -2.07 116.57 117.98 1sq5 h LYS 3040Ca 0.06 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1sq5 h LYS 3040Cb 0.85 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1sq5 h LYS 3040CO 0.07 0.79 -0.30 0.78 -0.57 0.00 0.00 179.45 180.22 1sq5 h GLY 3041N 0.97 0.00 0.55 3.86 0.00 -0.67 -3.00 103.07 104.78 1sq5 h GLY 3041Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1sq5 h GLY 3041CO 0.04 0.00 -0.00 -2.22 0.00 0.00 0.00 176.54 174.36 1sq5 h ILE 3042N 0.00 1.36 -1.44 2.60 2.04 -0.73 -3.44 117.51 117.91 1sq5 h ILE 3042Ca -0.00 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 1sq5 h ILE 3042Cb 0.56 2.08 -0.25 0.00 -0.74 0.00 0.00 36.82 38.47 1sq5 h ILE 3042CO 0.04 0.28 -0.39 0.21 0.00 0.00 0.00 178.15 178.28 1sq5 s ASN 3043N -5.66 -0.56 0.61 1.72 3.84 -0.96 -5.03 114.94 108.90 1sq5 s ASN 3043Ca -0.16 0.41 0.29 0.00 0.21 0.00 0.00 52.86 53.62 1sq5 s ASN 3043Cb 0.02 1.62 1.53 0.00 -0.55 0.00 0.00 41.25 43.86 1sq5 s ASN 3043CO 0.67 -0.29 1.92 1.05 -2.79 0.00 0.00 177.10 177.67 1sq5 h GLU 3044N 8.09 0.00 -0.07 0.43 4.11 -1.80 -0.47 114.58 124.87 1sq5 h GLU 3044Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1sq5 h GLU 3044Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1sq5 h GLU 3044CO 0.26 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.09 1sq5 n ASP 3045N -3.53 2.82 -4.69 3.06 8.00 -1.26 -4.92 116.55 116.02 1sq5 n ASP 3045Ca 0.05 -1.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 1sq5 n ASP 3045Cb 0.56 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 1sq5 n ASP 3045CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sq5 s LEU 3046N -1.94 4.32 -0.01 0.64 2.96 -0.19 -4.97 118.68 119.49 1sq5 s LEU 3046Ca 0.30 2.08 -0.30 0.00 -0.22 0.00 0.00 54.13 55.99 1sq5 s LEU 3046Cb 0.20 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1sq5 s LEU 3046CO 0.31 -0.69 1.23 -0.55 -1.32 0.00 0.00 176.35 175.33 1sq5 s SER 3047N 1.75 7.03 0.37 3.68 0.15 -1.26 -4.93 113.70 120.49 1sq5 s SER 3047Ca 0.63 1.93 0.13 0.00 0.70 0.00 0.00 55.95 59.34 1sq5 s SER 3047Cb -0.31 -2.57 0.70 0.00 -1.71 0.00 0.00 66.02 62.14 1sq5 s SER 3047CO 0.26 -0.56 1.81 -0.07 1.20 0.00 0.00 173.24 175.88 1sq5 h LEU 3048N 7.72 0.00 -0.56 3.45 3.38 -1.99 -2.10 115.31 125.21 1sq5 h LEU 3048Ca -0.37 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 1sq5 h LEU 3048Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1sq5 h LEU 3048CO 0.86 0.39 -0.37 -0.33 0.09 0.00 0.00 178.44 179.08 1sq5 h GLU 3049N 0.00 0.75 -0.61 1.13 4.39 -1.99 -1.86 114.58 116.39 1sq5 h GLU 3049Ca -0.00 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 1sq5 h GLU 3049Cb 0.69 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 1sq5 h GLU 3049CO 0.05 0.99 0.36 1.49 -1.16 0.00 0.00 179.01 180.74 1sq5 h GLU 3050N 0.62 0.83 -0.15 2.33 4.57 -1.83 0.07 114.58 121.02 1sq5 h GLU 3050Ca 0.06 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1sq5 h GLU 3050Cb 0.91 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1sq5 h GLU 3050CO 0.08 0.61 0.09 0.28 -1.18 0.00 0.00 179.01 178.88 1sq5 h VAL 3051N 0.82 1.08 -0.47 0.32 2.07 -1.14 0.27 116.25 119.19 1sq5 h VAL 3051Ca 0.22 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1sq5 h VAL 3051Cb -0.00 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1sq5 h VAL 3051CO -0.04 0.07 0.05 0.00 0.02 0.00 0.00 177.57 177.67 1sq5 h ALA 3052N 1.00 1.19 0.00 1.67 0.00 -0.98 -0.25 119.26 121.89 1sq5 h ALA 3052Ca 0.05 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1sq5 h ALA 3052Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1sq5 h ALA 3052CO -0.01 0.54 -1.50 0.39 0.00 0.00 0.00 179.25 178.67 1sq5 n GLU 3053N -4.25 0.63 -0.01 0.00 1.02 -0.02 -4.49 120.64 113.53 1sq5 n GLU 3053Ca 0.03 0.13 -0.04 0.00 -0.02 0.00 0.00 57.16 57.26 1sq5 n GLU 3053Cb 0.26 -1.75 -0.01 0.00 -0.02 0.00 0.00 31.44 29.92 1sq5 n GLU 3053CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sq5 n ILE 3054N -2.76 1.26 0.12 -3.67 2.08 0.93 -3.98 119.36 113.34 1sq5 n ILE 3054Ca -0.09 0.27 -0.02 0.00 0.56 0.00 0.00 62.75 63.46 1sq5 n ILE 3054Cb 0.78 -1.85 0.19 0.00 -0.75 0.00 0.00 39.64 38.01 1sq5 n ILE 3054CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1sq5 h TYR 3055N -0.37 0.16 -0.09 1.39 -1.99 -1.43 -2.35 116.97 112.29 1sq5 h TYR 3055Ca -0.03 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 1sq5 h TYR 3055Cb 0.45 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 1sq5 h TYR 3055CO -0.15 0.64 0.01 -0.07 -0.00 0.00 0.00 178.16 178.59 1sq5 h LEU 3056N 0.10 0.15 -1.31 3.88 3.38 -1.28 -0.05 115.31 120.19 1sq5 h LEU 3056Ca -0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1sq5 h LEU 3056Cb 0.99 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1sq5 h LEU 3056CO 0.08 0.41 0.37 -0.65 0.09 0.00 0.00 178.44 178.73 1sq5 h PRO 3057N -0.11 0.84 -0.61 1.13 0.11 -1.80 -0.59 132.00 130.97 1sq5 h PRO 3057Ca 0.03 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 1sq5 h PRO 3057Cb 0.33 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1sq5 h PRO 3057CO 0.00 0.59 0.03 1.25 -0.21 0.00 0.00 178.00 179.67 1sq5 h LEU 3058N 0.86 1.02 -0.90 2.35 5.85 -1.20 -0.51 115.31 122.77 1sq5 h LEU 3058Ca 0.22 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 1sq5 h LEU 3058Cb -0.03 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1sq5 h LEU 3058CO -0.04 1.05 -0.45 0.77 -0.34 0.00 0.00 178.44 179.42 1sq5 h SER 3059N 0.97 0.22 -0.20 1.25 4.64 -0.20 -1.32 113.55 118.91 1sq5 h SER 3059Ca 0.18 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1sq5 h SER 3059Cb 0.51 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1sq5 h SER 3059CO 0.02 0.65 -0.01 0.03 -0.87 0.00 0.00 176.83 176.65 1sq5 h ARG 3060N 0.17 0.37 -0.31 4.77 3.08 -0.69 -1.14 114.38 120.64 1sq5 h ARG 3060Ca 0.01 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1sq5 h ARG 3060Cb 0.87 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.85 1sq5 h ARG 3060CO 0.07 0.58 0.04 1.25 -1.07 0.00 0.00 179.97 180.84 1sq5 h LEU 3061N 0.12 -0.02 -0.99 3.04 5.85 -0.82 -1.49 115.31 121.00 1sq5 h LEU 3061Ca 0.06 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1sq5 h LEU 3061Cb 0.42 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1sq5 h LEU 3061CO 0.01 0.02 0.65 -0.07 -0.34 0.00 0.00 178.44 178.71 1sq5 h LEU 3062N 0.15 1.08 -1.25 2.25 3.38 -1.12 -1.89 115.31 117.90 1sq5 h LEU 3062Ca 0.14 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1sq5 h LEU 3062Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1sq5 h LEU 3062CO -0.20 0.74 0.18 -1.13 0.09 0.00 0.00 178.44 178.12 1sq5 h ASN 3063N 1.26 0.63 -0.64 -0.43 -0.73 -0.31 -0.42 115.58 114.94 1sq5 h ASN 3063Ca 0.39 -0.08 -0.06 0.00 1.87 0.00 0.00 56.30 58.42 1sq5 h ASN 3063Cb -0.01 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.39 1sq5 h ASN 3063CO -0.12 0.58 0.17 -0.26 -0.37 0.00 0.00 177.43 177.43 1sq5 h PHE 3064N 0.69 1.07 -0.49 0.67 0.05 -0.50 0.29 116.94 118.73 1sq5 h PHE 3064Ca 0.17 -0.12 -0.12 0.00 3.82 0.00 0.00 57.97 61.71 1sq5 h PHE 3064Cb 0.16 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 37.79 1sq5 h PHE 3064CO 0.01 0.89 -0.17 1.88 -0.18 0.00 0.00 178.31 180.74 1sq5 h TYR 3065N 0.95 1.11 -0.24 -0.55 -1.99 -1.03 -1.28 116.97 113.93 1sq5 h TYR 3065Ca 0.20 -0.25 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 1sq5 h TYR 3065Cb 0.35 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 1sq5 h TYR 3065CO 0.03 1.07 -0.02 0.82 -0.00 0.00 0.00 178.16 180.06 1sq5 h ILE 3066N 0.83 1.26 -0.19 -2.88 2.04 -0.84 -1.66 117.51 116.07 1sq5 h ILE 3066Ca 0.12 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1sq5 h ILE 3066Cb 0.74 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1sq5 h ILE 3066CO 0.06 0.30 0.10 0.28 0.00 0.00 0.00 178.15 178.89 1sq5 h SER 3067N 0.20 0.17 -0.93 1.72 0.02 -0.39 0.19 113.55 114.52 1sq5 h SER 3067Ca 0.07 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1sq5 h SER 3067Cb 0.44 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.88 1sq5 h SER 3067CO 0.02 0.13 0.57 -1.28 -1.14 0.00 0.00 176.83 175.12 1sq5 h SER 3068N 0.22 0.85 -0.20 3.07 0.87 -1.16 0.15 113.55 117.35 1sq5 h SER 3068Ca 0.08 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 1sq5 h SER 3068Cb 0.00 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1sq5 h SER 3068CO -0.04 0.48 -0.22 -1.13 -0.53 0.00 0.00 176.83 175.39 1sq5 h ASN 3069N 0.95 0.65 0.05 6.23 -0.73 -0.40 -1.89 115.58 120.45 1sq5 h ASN 3069Ca 0.45 -0.22 -0.17 0.00 1.87 0.00 0.00 56.30 58.22 1sq5 h ASN 3069Cb 0.38 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.79 1sq5 h ASN 3069CO -0.24 0.86 -0.62 -0.07 -0.37 0.00 0.00 177.43 176.99 1sq5 h LEU 3070N 0.57 0.64 -0.20 0.34 3.38 0.65 -2.41 115.31 118.28 1sq5 h LEU 3070Ca 0.08 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1sq5 h LEU 3070Cb 0.68 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1sq5 h LEU 3070CO 0.05 1.10 -0.01 -0.09 0.09 0.00 0.00 178.44 179.58 1sq5 h ARG 3071N 0.42 0.35 -0.92 1.13 2.43 -0.62 -2.66 114.38 114.51 1sq5 h ARG 3071Ca -0.01 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1sq5 h ARG 3071Cb 1.18 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.65 1sq5 h ARG 3071CO 0.12 0.57 0.59 -0.09 -1.51 0.00 0.00 179.97 179.65 1sq5 h ARG 3072N 0.10 1.08 -1.00 0.20 2.43 -1.35 -1.48 114.38 114.37 1sq5 h ARG 3072Ca 0.05 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1sq5 h ARG 3072Cb 0.42 -0.24 -0.07 0.00 -0.42 0.00 0.00 29.97 29.66 1sq5 h ARG 3072CO 0.01 0.72 0.65 0.37 -1.51 0.00 0.00 179.97 180.21 1sq5 h GLN 3073N 1.11 1.16 -0.50 0.20 -0.00 -1.26 0.21 115.11 116.04 1sq5 h GLN 3073Ca 0.38 -0.07 -0.11 0.00 -0.00 0.00 0.00 58.65 58.85 1sq5 h GLN 3073Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 27.48 27.28 1sq5 h GLN 3073CO -0.14 0.77 -0.13 0.00 0.00 0.00 0.00 178.83 179.32 1sq5 h ALA 3074N 1.45 0.69 -0.58 3.38 0.00 -0.94 0.15 119.26 123.40 1sq5 h ALA 3074Ca 0.43 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1sq5 h ALA 3074Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1sq5 h ALA 3074CO -0.16 0.61 -0.02 0.28 0.00 0.00 0.00 179.25 179.96 1sq5 h VAL 3075N 0.83 1.27 -0.06 0.00 2.07 -0.64 -2.45 116.25 117.27 1sq5 h VAL 3075Ca 0.12 -1.17 -0.15 0.00 0.82 0.00 0.00 66.70 66.33 1sq5 h VAL 3075Cb 0.69 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1sq5 h VAL 3075CO 0.05 0.42 -0.64 -0.07 0.02 0.00 0.00 177.57 177.35 1sq5 h LEU 3076N 0.93 0.26 -0.67 2.57 3.38 -0.47 -2.59 115.31 118.73 1sq5 h LEU 3076Ca 0.16 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1sq5 h LEU 3076Cb 0.58 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1sq5 h LEU 3076CO 0.03 0.83 0.18 -0.08 0.09 0.00 0.00 178.44 179.50 1sq5 h GLU 3077N 0.16 1.06 -0.25 1.13 4.81 -0.50 0.24 114.58 121.23 1sq5 h GLU 3077Ca -0.01 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1sq5 h GLU 3077Cb 1.16 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1sq5 h GLU 3077CO 0.10 0.93 0.07 0.37 -0.73 0.00 0.00 179.01 179.76 1sq5 h GLN 3078N 0.99 0.39 0.26 1.92 4.15 -1.38 0.23 115.11 121.67 1sq5 h GLN 3078Ca 0.21 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1sq5 h GLN 3078Cb 0.34 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1sq5 h GLN 3078CO -0.00 0.47 -0.12 0.35 -1.93 0.00 0.00 178.83 177.59 1sq5 h PHE 3079N 0.23 -0.32 0.00 3.99 3.57 -1.19 -3.08 116.94 120.15 1sq5 h PHE 3079Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1sq5 h PHE 3079Cb 0.25 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1sq5 h PHE 3079CO 0.01 0.01 0.00 1.28 -2.23 0.00 0.00 178.31 177.38 1sq5 n LEU 3080N -5.09 0.69 -3.24 0.59 4.77 0.81 -4.89 117.00 110.63 1sq5 n LEU 3080Ca -0.09 0.65 -0.23 0.00 -0.03 0.00 0.00 56.01 56.30 1sq5 n LEU 3080Cb 0.25 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1sq5 n LEU 3080CO 0.31 -0.50 0.01 0.61 -1.33 0.00 0.00 177.39 176.49 1sq5 n GLY 3081N 0.23 -0.51 3.93 -0.72 0.00 0.79 -4.98 105.19 103.93 1sq5 n GLY 3081Ca 0.03 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1sq5 n GLY 3081CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sq5 s THR 3082N -3.11 3.70 -0.88 2.61 2.01 -1.11 -5.04 115.64 113.82 1sq5 s THR 3082Ca 0.38 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 1sq5 s THR 3082Cb -0.18 -3.43 0.23 0.00 0.01 0.00 0.00 72.50 69.13 1sq5 s THR 3082CO 0.47 -0.39 0.84 -0.46 -0.69 0.00 0.00 174.62 174.40 1sq5 n ASN 3083N -2.40 4.33 0.00 3.53 0.23 -1.26 -4.90 115.26 114.79 1sq5 n ASN 3083Ca 0.04 -3.20 0.00 0.00 -0.53 0.00 0.00 54.58 50.88 1sq5 n ASN 3083Cb 0.58 -1.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.26 1sq5 n ASN 3083CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1sq5 n ARG 3086N 2.01 2.14 -4.44 -3.83 5.12 -1.26 -5.27 116.66 111.13 1sq5 n ARG 3086Ca 0.23 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.81 1sq5 n ARG 3086Cb 0.37 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.57 1sq5 n ARG 3086CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1sq5 s PRO 3088N 4.75 3.03 0.08 5.56 0.02 -1.26 -5.06 135.00 142.12 1sq5 s PRO 3088Ca 0.00 -0.46 -0.30 0.00 0.02 0.00 0.00 61.00 60.27 1sq5 s PRO 3088Cb 0.00 -2.76 -0.05 0.00 0.02 0.00 0.00 34.50 31.71 1sq5 s PRO 3088CO 0.00 0.62 0.95 -0.47 -0.33 0.00 0.00 177.00 177.77 1sq5 s TYR 3089N -0.68 3.77 -0.15 6.54 5.04 -0.59 -4.89 117.35 126.39 1sq5 s TYR 3089Ca 0.11 1.75 -0.00 0.00 -2.44 0.00 0.00 57.07 56.48 1sq5 s TYR 3089Cb -0.12 -3.05 -0.01 0.00 0.35 0.00 0.00 41.96 39.13 1sq5 s TYR 3089CO 0.02 0.15 -0.14 0.42 -1.34 0.00 0.00 175.55 174.66 1sq5 s ILE 3090N 0.26 2.82 -0.16 3.14 1.01 -1.26 -1.02 121.20 125.99 1sq5 s ILE 3090Ca 0.48 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 1sq5 s ILE 3090Cb -0.22 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 1sq5 s ILE 3090CO 0.29 0.51 -0.15 -0.63 0.00 0.00 0.00 174.94 174.97 1sq5 s ILE 3091N 0.68 2.70 0.16 2.92 1.01 0.26 -0.91 121.20 128.03 1sq5 s ILE 3091Ca -0.07 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1sq5 s ILE 3091Cb -0.16 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1sq5 s ILE 3091CO 0.02 0.51 0.04 -0.94 0.00 0.00 0.00 174.94 174.57 1sq5 s SER 3092N 0.88 5.03 -0.13 3.58 1.04 -0.49 0.57 113.70 124.18 1sq5 s SER 3092Ca -0.04 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 1sq5 s SER 3092Cb -0.15 -1.17 0.04 0.00 0.10 0.00 0.00 66.02 64.84 1sq5 s SER 3092CO -0.01 0.09 0.00 -0.63 0.98 0.00 0.00 173.24 173.67 1sq5 s ILE 3093N -1.68 0.59 0.49 -1.02 1.01 0.24 -1.04 121.20 119.79 1sq5 s ILE 3093Ca 0.28 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.71 1sq5 s ILE 3093Cb -0.10 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.50 1sq5 s ILE 3093CO 0.20 0.07 0.31 0.00 0.00 0.00 0.00 174.94 175.52 1sq5 s ALA 3094N 1.86 4.14 0.00 9.38 0.00 0.11 -1.37 121.76 135.87 1sq5 s ALA 3094Ca 0.02 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1sq5 s ALA 3094Cb -0.15 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1sq5 s ALA 3094CO -0.07 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1sq5 n GLY 3095N -1.55 3.24 3.63 0.00 0.00 -1.26 -0.82 105.19 108.42 1sq5 n GLY 3095Ca -0.02 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1sq5 n GLY 3095CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sq5 n SER 3096N 0.00 0.46 -4.76 1.61 2.88 -1.26 -4.30 113.62 108.26 1sq5 n SER 3096Ca 0.00 0.61 -0.41 0.00 -1.33 0.00 0.00 58.87 57.74 1sq5 n SER 3096Cb 0.00 -1.43 -0.01 0.00 -0.75 0.00 0.00 64.21 62.02 1sq5 n SER 3096CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sq5 s VAL 3097N -1.98 2.25 -0.14 2.46 1.01 -1.26 -2.06 120.40 120.67 1sq5 s VAL 3097Ca 0.72 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1sq5 s VAL 3097Cb -0.31 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1sq5 s VAL 3097CO 0.52 0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.66 1sq5 n ALA 3098N 1.79 -0.02 0.19 5.51 0.00 -1.26 -4.89 120.51 121.82 1sq5 n ALA 3098Ca 0.06 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.61 1sq5 n ALA 3098Cb 0.39 -0.58 0.12 0.00 0.00 0.00 0.00 19.45 19.38 1sq5 n ALA 3098CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1sq5 h VAL 3099N 0.00 0.31 0.00 0.00 3.04 -1.77 -3.42 116.25 114.41 1sq5 h VAL 3099Ca -0.03 -1.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.23 1sq5 h VAL 3099Cb 0.34 2.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1sq5 h VAL 3099CO 0.04 0.17 0.00 0.61 -1.01 0.00 0.00 177.57 177.38 1sq5 n GLY 3100N 1.15 1.96 0.15 3.17 0.00 -1.26 -4.97 105.19 105.38 1sq5 n GLY 3100Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1sq5 n GLY 3100CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sq5 h LYS 3101N 0.00 0.44 -0.65 1.61 1.57 -1.91 -0.57 116.57 117.05 1sq5 h LYS 3101Ca 0.00 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1sq5 h LYS 3101Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1sq5 h LYS 3101CO 0.00 0.46 0.33 1.03 -0.57 0.00 0.00 179.45 180.70 1sq5 h SER 3102N 0.33 0.84 -0.22 0.86 0.87 -1.96 0.11 113.55 114.38 1sq5 h SER 3102Ca 0.10 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1sq5 h SER 3102Cb 0.19 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1sq5 h SER 3102CO -0.01 0.72 -0.05 0.74 -0.53 0.00 0.00 176.83 177.71 1sq5 h THR 3103N 0.90 1.28 -0.40 2.23 2.02 -1.95 -2.00 112.91 114.99 1sq5 h THR 3103Ca 0.23 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1sq5 h THR 3103Cb 0.09 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1sq5 h THR 3103CO -0.03 0.31 0.24 0.74 0.37 0.00 0.00 175.52 177.15 1sq5 h THR 3104N 0.15 1.06 0.01 3.16 2.02 -0.86 -0.57 112.91 117.88 1sq5 h THR 3104Ca 0.06 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1sq5 h THR 3104Cb 0.49 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1sq5 h THR 3104CO 0.02 0.09 -0.06 0.00 0.37 0.00 0.00 175.52 175.94 1sq5 h ALA 3105N 1.17 -0.08 -0.35 6.16 0.00 -0.74 -0.26 119.26 125.16 1sq5 h ALA 3105Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1sq5 h ALA 3105Cb -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1sq5 h ALA 3105CO -0.06 -0.56 0.01 0.00 0.00 0.00 0.00 179.25 178.63 1sq5 h ARG 3106N -0.12 0.54 -0.12 0.00 3.08 -1.18 0.12 114.38 116.71 1sq5 h ARG 3106Ca 0.02 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1sq5 h ARG 3106Cb 0.14 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1sq5 h ARG 3106CO -0.06 0.56 -0.03 0.28 -1.07 0.00 0.00 179.97 179.66 1sq5 h VAL 3107N 0.52 1.29 -0.28 2.04 2.07 -0.81 -2.25 116.25 118.83 1sq5 h VAL 3107Ca 0.11 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1sq5 h VAL 3107Cb 0.33 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1sq5 h VAL 3107CO 0.01 0.28 0.03 -0.07 0.02 0.00 0.00 177.57 177.84 1sq5 h LEU 3108N -0.08 0.38 -0.48 2.57 3.38 -0.60 -0.85 115.31 119.62 1sq5 h LEU 3108Ca 0.03 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1sq5 h LEU 3108Cb 0.45 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1sq5 h LEU 3108CO 0.01 0.42 0.15 -0.61 0.09 0.00 0.00 178.44 178.51 1sq5 h GLN 3109N 0.41 0.74 -0.08 1.13 4.15 -0.62 -0.31 115.11 120.53 1sq5 h GLN 3109Ca 0.09 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1sq5 h GLN 3109Cb 0.22 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1sq5 h GLN 3109CO 0.00 0.70 0.01 0.00 -1.93 0.00 0.00 178.83 177.62 1sq5 h ALA 3110N 1.01 0.11 -0.44 3.38 0.00 -0.82 -2.89 119.26 119.61 1sq5 h ALA 3110Ca 0.15 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1sq5 h ALA 3110Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1sq5 h ALA 3110CO -0.01 -0.24 0.04 -0.07 0.00 0.00 0.00 179.25 178.97 1sq5 h LEU 3111N -0.10 0.72 -2.47 0.00 3.38 -1.11 -2.65 115.31 113.09 1sq5 h LEU 3111Ca 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1sq5 h LEU 3111Cb 0.28 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1sq5 h LEU 3111CO 0.00 0.83 -0.01 -0.07 0.09 0.00 0.00 178.44 179.27 1sq5 h LEU 3112N 0.60 0.00 -0.46 1.67 3.38 -1.08 -0.69 115.31 118.72 1sq5 h LEU 3112Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1sq5 h LEU 3112Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1sq5 h LEU 3112CO 0.01 0.01 0.00 -1.20 0.09 0.00 0.00 178.44 177.36 1sq5 n SER 3113N -3.20 0.50 0.21 -0.43 7.64 -1.00 -3.17 113.62 114.17 1sq5 n SER 3113Ca -0.02 0.61 0.05 0.00 1.01 0.00 0.00 58.87 60.52 1sq5 n SER 3113Cb 0.15 -0.72 0.47 0.00 -1.01 0.00 0.00 64.21 63.09 1sq5 n SER 3113CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1sq5 h ARG 3114N 0.00 0.02 -6.53 1.43 3.08 -1.21 -3.41 114.38 107.75 1sq5 h ARG 3114Ca 0.00 -0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.52 1sq5 h ARG 3114Cb 0.37 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1sq5 h ARG 3114CO 0.00 0.23 0.34 -1.58 -1.07 0.00 0.00 179.97 177.89 1sq5 s TRP 3115N -4.57 3.80 0.53 3.04 0.51 -1.19 -4.94 118.94 116.12 1sq5 s TRP 3115Ca -0.04 1.77 0.21 0.00 -2.12 0.00 0.00 56.10 55.91 1sq5 s TRP 3115Cb 0.15 -3.04 1.36 0.00 -0.81 0.00 0.00 33.47 31.14 1sq5 s TRP 3115CO 0.70 0.20 2.10 -1.35 -0.51 0.00 0.00 176.95 178.09 1sq5 h PRO 3116N 5.66 0.00 -0.15 4.98 0.11 -1.91 -3.30 132.00 137.39 1sq5 h PRO 3116Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sq5 h PRO 3116Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sq5 h PRO 3116CO 0.72 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.90 1sq5 n GLU 3117N -4.40 0.38 -0.38 1.05 4.71 -1.26 -5.19 120.64 115.55 1sq5 n GLU 3117Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1sq5 n GLU 3117Cb 0.28 -1.07 0.00 0.00 -1.01 0.00 0.00 31.44 29.64 1sq5 n GLU 3117CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1sq5 n ARG 3119N -0.19 0.00 0.00 3.49 0.00 -1.25 -4.99 116.66 113.72 1sq5 n ARG 3119Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1sq5 n ARG 3119Cb 0.04 -0.38 0.00 0.00 -0.00 0.00 0.00 32.46 32.12 1sq5 n ARG 3119CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1sq5 n VAL 3121N -0.20 0.00 -4.02 8.89 0.31 -1.26 -4.90 118.33 117.15 1sq5 n VAL 3121Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1sq5 n VAL 3121Cb 0.08 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.95 1sq5 n VAL 3121CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1sq5 s GLU 3122N -0.67 3.23 -0.13 5.55 0.41 0.79 -4.98 118.70 122.89 1sq5 s GLU 3122Ca 0.00 -0.39 0.02 0.00 -0.41 0.00 0.00 54.97 54.18 1sq5 s GLU 3122Cb 0.00 -2.97 0.01 0.00 -1.78 0.00 0.00 34.13 29.39 1sq5 s GLU 3122CO 0.00 0.67 -0.18 -1.17 -0.49 0.00 0.00 175.26 174.09 1sq5 s LEU 3123N -1.73 1.92 -0.03 1.80 2.96 -1.26 0.11 118.68 122.44 1sq5 s LEU 3123Ca 0.24 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1sq5 s LEU 3123Cb -0.12 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.28 1sq5 s LEU 3123CO 0.15 0.03 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.47 1sq5 s ILE 3124N 1.00 0.96 0.05 6.68 -1.09 -0.11 -4.97 121.20 123.73 1sq5 s ILE 3124Ca -0.04 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 1sq5 s ILE 3124Cb -0.15 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 39.85 1sq5 s ILE 3124CO -0.04 0.29 -0.00 0.42 -1.23 0.00 0.00 174.94 174.38 1sq5 s THR 3125N 0.20 4.06 -1.11 2.92 -4.23 -1.26 -1.16 115.64 115.06 1sq5 s THR 3125Ca -0.04 -0.83 0.23 0.00 -1.18 0.00 0.00 61.69 59.87 1sq5 s THR 3125Cb -0.10 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.11 1sq5 s THR 3125CO 0.01 0.23 1.75 0.35 -0.54 0.00 0.00 174.62 176.42 1sq5 n THR 3126N 0.92 0.38 -0.07 3.99 -2.24 -0.33 -3.25 114.28 113.69 1sq5 n THR 3126Ca -0.12 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1sq5 n THR 3126Cb 0.52 -0.70 0.49 0.00 -2.10 0.00 0.00 70.33 68.54 1sq5 n THR 3126CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sq5 h ASP 3127N 0.00 0.38 0.27 3.42 3.32 -1.95 0.39 116.42 122.25 1sq5 h ASP 3127Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1sq5 h ASP 3127Cb 0.35 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1sq5 h ASP 3127CO 0.00 0.24 -0.08 1.23 -1.72 0.00 0.00 179.24 178.91 1sq5 h GLY 3128N 0.43 0.00 -1.28 2.75 0.00 -1.76 -2.34 103.07 100.86 1sq5 h GLY 3128Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1sq5 h GLY 3128CO -0.07 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.16 1sq5 n PHE 3129N -3.65 0.49 -2.59 5.60 3.01 0.13 -4.36 117.46 116.08 1sq5 n PHE 3129Ca -0.02 -0.22 -0.34 0.00 1.01 0.00 0.00 57.45 57.89 1sq5 n PHE 3129Cb 0.19 -0.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 1sq5 n PHE 3129CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1sq5 s LEU 3130N -1.02 3.84 0.38 4.37 1.43 -0.88 -0.23 118.68 126.57 1sq5 s LEU 3130Ca 0.20 1.84 -0.26 0.00 -1.03 0.00 0.00 54.13 54.87 1sq5 s LEU 3130Cb 0.12 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.70 1sq5 s LEU 3130CO 0.12 -0.67 1.21 -1.00 0.23 0.00 0.00 176.35 176.23 1sq5 s HIS 3131N -2.10 3.07 0.99 0.29 3.76 -0.09 -4.76 115.29 116.45 1sq5 s HIS 3131Ca 0.65 1.52 -0.13 0.00 -0.15 0.00 0.00 55.06 56.95 1sq5 s HIS 3131Cb -0.14 -3.48 0.11 0.00 1.11 0.00 0.00 32.58 30.18 1sq5 s HIS 3131CO 0.19 -1.48 0.64 -2.30 -0.85 0.00 0.00 174.74 170.95 1sq5 n PRO 3132N 0.31 -0.76 -0.29 8.40 -0.02 -1.26 -4.53 135.00 136.85 1sq5 n PRO 3132Ca 0.03 -0.18 0.01 0.00 -2.02 0.00 0.00 63.50 61.34 1sq5 n PRO 3132Cb 0.45 -2.03 0.14 0.00 -0.02 0.00 0.00 33.50 32.05 1sq5 n PRO 3132CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1sq5 h ASN 3133N -1.86 0.74 -0.85 2.55 2.35 -1.92 -0.30 115.58 116.28 1sq5 h ASN 3133Ca -0.47 0.03 0.16 0.00 -0.55 0.00 0.00 56.30 55.47 1sq5 h ASN 3133Cb 1.29 -0.12 -0.10 0.00 0.05 0.00 0.00 38.32 39.44 1sq5 h ASN 3133CO 0.38 0.45 0.41 -0.61 -1.65 0.00 0.00 177.43 176.42 1sq5 h GLN 3134N 0.86 0.54 -0.06 0.81 4.15 -1.99 0.31 115.11 119.74 1sq5 h GLN 3134Ca 0.37 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.68 1sq5 h GLN 3134Cb 0.24 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1sq5 h GLN 3134CO -0.20 0.36 -0.29 0.28 -1.93 0.00 0.00 178.83 177.05 1sq5 h VAL 3135N 0.56 1.44 -0.57 2.39 2.07 -1.58 -2.60 116.25 117.95 1sq5 h VAL 3135Ca 0.48 -1.73 0.05 0.00 0.82 0.00 0.00 66.70 66.32 1sq5 h VAL 3135Cb 0.73 2.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 1sq5 h VAL 3135CO -0.40 0.49 0.30 -0.07 0.02 0.00 0.00 177.57 177.91 1sq5 h LEU 3136N -0.22 0.43 -0.53 2.57 3.38 -0.20 -1.37 115.31 119.36 1sq5 h LEU 3136Ca -0.02 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1sq5 h LEU 3136Cb 0.95 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1sq5 h LEU 3136CO 0.06 0.28 0.33 0.11 0.09 0.00 0.00 178.44 179.31 1sq5 h LYS 3137N 0.56 0.64 -0.94 1.13 1.57 -0.46 0.49 116.57 119.55 1sq5 h LYS 3137Ca 0.26 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1sq5 h LYS 3137Cb 0.17 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1sq5 h LYS 3137CO -0.18 0.42 0.62 0.93 -0.57 0.00 0.00 179.45 180.67 1sq5 h GLU 3138N 0.66 1.14 -0.21 3.15 5.08 -0.99 -1.01 114.58 122.40 1sq5 h GLU 3138Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1sq5 h GLU 3138Cb -0.00 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1sq5 h GLU 3138CO -0.08 0.75 0.00 0.54 -1.00 0.00 0.00 179.01 179.22 1sq5 n ARG 3139N -4.45 1.79 -3.24 2.33 1.74 -0.57 -4.92 116.66 109.33 1sq5 n ARG 3139Ca 0.13 -1.20 -0.20 0.00 -0.77 0.00 0.00 57.85 55.81 1sq5 n ARG 3139Cb 0.11 -1.39 0.05 0.00 -1.02 0.00 0.00 32.46 30.22 1sq5 n ARG 3139CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sq5 n GLY 3140N 1.15 -0.32 0.26 -0.13 0.00 0.17 -4.93 105.19 101.38 1sq5 n GLY 3140Ca 0.16 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.34 1sq5 n GLY 3140CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sq5 n LEU 3141N -4.01 2.69 0.13 0.99 4.77 0.15 -4.71 117.00 117.02 1sq5 n LEU 3141Ca -0.03 -3.04 0.11 0.00 -0.03 0.00 0.00 56.01 53.02 1sq5 n LEU 3141Cb 0.57 -0.44 0.50 0.00 -2.33 0.00 0.00 43.42 41.71 1sq5 n LEU 3141CO 0.50 0.70 0.83 0.80 -1.33 0.00 0.00 177.39 178.88 1sq5 n MET 3142N -1.19 0.16 -0.44 3.23 1.56 -1.25 -0.94 117.12 118.24 1sq5 n MET 3142Ca 0.17 0.49 0.08 0.00 -0.27 0.00 0.00 57.70 58.17 1sq5 n MET 3142Cb 0.68 -1.87 0.26 0.00 2.15 0.00 0.00 33.22 34.44 1sq5 n MET 3142CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1sq5 n LYS 3143N -2.18 3.19 -0.62 2.12 4.76 -1.26 -4.48 118.16 119.68 1sq5 n LYS 3143Ca 0.01 -2.70 0.06 0.00 -2.87 0.00 0.00 58.31 52.81 1sq5 n LYS 3143Cb 0.15 -1.76 0.11 0.00 -1.84 0.00 0.00 35.03 31.69 1sq5 n LYS 3143CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sq5 n LYS 3144N 0.00 0.87 -1.81 1.97 4.76 -0.12 -4.89 118.16 118.94 1sq5 n LYS 3144Ca 0.20 -2.40 -0.42 0.00 -2.87 0.00 0.00 58.31 52.82 1sq5 n LYS 3144Cb 0.81 -1.04 -0.03 0.00 -1.84 0.00 0.00 35.03 32.94 1sq5 n LYS 3144CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sq5 s LYS 3145N -1.85 4.16 0.00 1.97 1.02 -1.24 -1.58 119.74 122.21 1sq5 s LYS 3145Ca 0.28 2.51 0.00 0.00 0.02 0.00 0.00 55.97 58.78 1sq5 s LYS 3145Cb 0.28 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1sq5 s LYS 3145CO -0.05 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 1sq5 n GLY 3146N 3.94 2.88 3.84 -3.33 0.00 -1.26 -4.92 105.19 106.35 1sq5 n GLY 3146Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1sq5 n GLY 3146CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sq5 s PHE 3147N -2.57 3.46 0.23 1.61 0.40 -0.62 -4.93 117.98 115.56 1sq5 s PHE 3147Ca 0.00 1.45 -0.12 0.00 -0.60 0.00 0.00 56.93 57.65 1sq5 s PHE 3147Cb 0.00 -2.78 0.31 0.00 0.51 0.00 0.00 43.02 41.06 1sq5 s PHE 3147CO 0.00 -0.36 1.60 -1.35 0.70 0.00 0.00 175.22 175.80 1sq5 h PRO 3148N 0.91 -0.01 0.00 0.24 0.11 -1.87 -0.65 132.00 130.72 1sq5 h PRO 3148Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sq5 h PRO 3148Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sq5 h PRO 3148CO 0.62 -0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 1sq5 n GLU 3149N -5.51 0.15 0.00 1.05 0.00 -1.26 -1.75 120.64 113.32 1sq5 n GLU 3149Ca 0.10 0.57 0.13 0.00 0.00 0.00 0.00 57.16 57.97 1sq5 n GLU 3149Cb 0.40 -1.92 0.47 0.00 0.00 0.00 0.00 31.44 30.38 1sq5 n GLU 3149CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1sq5 n SER 3150N -2.23 1.00 -4.77 -1.84 3.41 -0.25 -4.88 113.62 104.06 1sq5 n SER 3150Ca -0.00 -0.97 -0.32 0.00 -0.26 0.00 0.00 58.87 57.32 1sq5 n SER 3150Cb 0.09 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 1sq5 n SER 3150CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1sq5 s TYR 3151N -2.37 3.23 -1.19 7.33 1.51 -0.72 -0.92 117.35 124.22 1sq5 s TYR 3151Ca 0.29 0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 56.39 1sq5 s TYR 3151Cb 0.20 -1.68 0.22 0.00 -0.11 0.00 0.00 41.96 40.60 1sq5 s TYR 3151CO 0.47 0.53 1.57 -3.47 -1.11 0.00 0.00 175.55 173.53 1sq5 n ASP 3152N 0.83 5.55 -0.30 2.29 2.03 0.68 -4.82 116.55 122.81 1sq5 n ASP 3152Ca -0.11 -3.15 -0.00 0.00 0.52 0.00 0.00 54.79 52.04 1sq5 n ASP 3152Cb 0.52 -1.43 0.12 0.00 -0.72 0.00 0.00 41.12 39.62 1sq5 n ASP 3152CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1sq5 h MET 3153N 6.08 0.93 -0.78 -0.67 2.86 -1.89 -2.31 114.93 119.16 1sq5 h MET 3153Ca 0.29 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.98 1sq5 h MET 3153Cb 0.71 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1sq5 h MET 3153CO 1.38 0.62 0.51 0.45 1.06 0.00 0.00 176.91 180.93 1sq5 h HIS 3154N 0.96 0.73 -0.36 -0.22 3.86 -1.94 0.34 115.15 118.52 1sq5 h HIS 3154Ca 0.35 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.43 1sq5 h HIS 3154Cb 0.11 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1sq5 h HIS 3154CO -0.03 0.33 -0.38 -0.09 0.86 0.00 0.00 177.93 178.61 1sq5 h ARG 3155N 0.67 0.89 -0.47 2.45 2.43 -1.83 -1.66 114.38 116.86 1sq5 h ARG 3155Ca 0.36 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1sq5 h ARG 3155Cb 0.51 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1sq5 h ARG 3155CO -0.14 1.13 0.17 1.25 -1.51 0.00 0.00 179.97 180.87 1sq5 h LEU 3156N 0.69 0.66 -0.47 3.80 5.85 -0.97 -1.08 115.31 123.78 1sq5 h LEU 3156Ca 0.05 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1sq5 h LEU 3156Cb 0.98 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1sq5 h LEU 3156CO 0.09 0.66 0.30 0.58 -0.34 0.00 0.00 178.44 179.74 1sq5 h VAL 3157N 0.62 1.14 -0.05 1.05 2.07 -0.92 -2.19 116.25 117.95 1sq5 h VAL 3157Ca 0.15 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1sq5 h VAL 3157Cb 0.22 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1sq5 h VAL 3157CO -0.01 0.13 -0.18 0.50 0.02 0.00 0.00 177.57 178.03 1sq5 h LYS 3158N 0.64 0.08 0.45 1.57 3.64 -1.05 0.11 116.57 122.00 1sq5 h LYS 3158Ca 0.17 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1sq5 h LYS 3158Cb -0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1sq5 h LYS 3158CO -0.03 0.26 -0.22 0.35 -2.27 0.00 0.00 179.45 177.54 1sq5 h PHE 3159N 0.07 -0.56 -0.01 1.91 3.57 -0.56 0.23 116.94 121.59 1sq5 h PHE 3159Ca 0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1sq5 h PHE 3159Cb 0.37 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1sq5 h PHE 3159CO 0.00 -0.32 -0.55 -0.39 -2.23 0.00 0.00 178.31 174.83 1sq5 h VAL 3160N -0.66 1.39 -0.35 1.41 -1.51 -1.37 -2.36 116.25 112.80 1sq5 h VAL 3160Ca -0.06 -1.88 -0.02 0.00 -1.23 0.00 0.00 66.70 63.50 1sq5 h VAL 3160Cb 0.49 2.00 -0.02 0.00 -2.13 0.00 0.00 31.29 31.64 1sq5 h VAL 3160CO 0.10 0.54 0.14 -1.28 -1.23 0.00 0.00 177.57 175.84 1sq5 h SER 3161N 0.03 0.48 -0.73 4.19 0.87 -0.76 -0.35 113.55 117.28 1sq5 h SER 3161Ca -0.00 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1sq5 h SER 3161Cb 0.98 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1sq5 h SER 3161CO 0.07 0.52 0.37 0.44 -0.53 0.00 0.00 176.83 177.71 1sq5 h ASP 3162N 0.42 0.93 -0.58 6.23 3.32 -0.36 -1.00 116.42 125.37 1sq5 h ASP 3162Ca 0.12 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1sq5 h ASP 3162Cb 0.19 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1sq5 h ASP 3162CO -0.01 0.78 0.33 -0.07 -1.72 0.00 0.00 179.24 178.55 1sq5 h LEU 3163N 1.01 0.71 0.00 1.55 3.38 -1.19 -1.03 115.31 119.73 1sq5 h LEU 3163Ca 0.25 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1sq5 h LEU 3163Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1sq5 h LEU 3163CO -0.04 0.59 0.00 1.17 0.09 0.00 0.00 178.44 180.25 1sq5 n LYS 3164N -4.61 0.88 0.00 1.13 3.00 -0.16 -2.15 118.16 116.25 1sq5 n LYS 3164Ca 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.44 1sq5 n LYS 3164Cb 0.08 -1.42 -0.10 0.00 0.00 0.00 0.00 35.03 33.59 1sq5 n LYS 3164CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1sq5 n SER 3165N -0.92 1.05 0.00 3.14 7.64 -0.42 -4.97 113.62 119.14 1sq5 n SER 3165Ca 0.18 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1sq5 n SER 3165Cb 0.08 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1sq5 n SER 3165CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sq5 n GLY 3166N 1.44 0.79 3.66 0.23 0.00 -0.92 -5.02 105.19 105.38 1sq5 n GLY 3166Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1sq5 n GLY 3166CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sq5 n VAL 3167N -2.18 0.74 -0.01 1.61 0.31 -0.86 -4.89 118.33 113.05 1sq5 n VAL 3167Ca 0.00 -0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 64.10 1sq5 n VAL 3167Cb 0.00 -2.24 -0.03 0.00 -0.91 0.00 0.00 33.84 30.66 1sq5 n VAL 3167CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1sq5 h PRO 3168N 10.36 -0.34 -5.12 5.55 0.13 -1.95 -3.41 132.00 137.22 1sq5 h PRO 3168Ca -0.50 0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1sq5 h PRO 3168Cb 1.25 0.08 -0.34 0.00 0.13 0.00 0.00 31.00 32.11 1sq5 h PRO 3168CO 0.94 -0.23 -0.86 -0.80 -0.23 0.00 0.00 178.00 176.82 1sq5 s ASN 3169N -4.96 3.00 -0.02 1.44 0.01 -1.26 -4.49 114.94 108.66 1sq5 s ASN 3169Ca -0.15 -0.57 0.07 0.00 -0.71 0.00 0.00 52.86 51.50 1sq5 s ASN 3169Cb 0.11 -1.38 -0.02 0.00 0.41 0.00 0.00 41.25 40.37 1sq5 s ASN 3169CO 0.67 0.07 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.40 1sq5 s VAL 3170N 0.86 1.83 -0.06 1.60 1.01 -0.45 -4.95 120.40 120.23 1sq5 s VAL 3170Ca -0.07 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1sq5 s VAL 3170Cb -0.15 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1sq5 s VAL 3170CO -0.02 0.52 -0.02 -0.89 0.00 0.00 0.00 175.10 174.69 1sq5 s THR 3171N -0.53 4.11 0.00 3.92 2.01 -1.26 0.53 115.64 124.41 1sq5 s THR 3171Ca 0.09 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.73 1sq5 s THR 3171Cb -0.09 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 1sq5 s THR 3171CO -0.01 0.54 -0.15 0.00 -0.69 0.00 0.00 174.62 174.31 1sq5 s ALA 3172N -0.92 1.24 0.72 7.40 0.00 0.19 -4.96 121.76 125.43 1sq5 s ALA 3172Ca 0.15 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 1sq5 s ALA 3172Cb -0.11 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.74 1sq5 s ALA 3172CO 0.04 0.29 1.09 -1.25 0.00 0.00 0.00 175.76 175.93 1sq5 s PRO 3173N -0.53 2.59 -0.02 0.00 0.04 -1.26 0.06 135.00 135.88 1sq5 s PRO 3173Ca 0.05 1.19 0.06 0.00 0.04 0.00 0.00 61.00 62.34 1sq5 s PRO 3173Cb -0.06 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1sq5 s PRO 3173CO -0.00 -1.39 -0.20 0.08 0.04 0.00 0.00 177.00 175.52 1sq5 s VAL 3174N -2.75 1.62 0.06 -0.36 1.01 -1.26 -4.42 120.40 114.28 1sq5 s VAL 3174Ca 0.62 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1sq5 s VAL 3174Cb -0.17 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1sq5 s VAL 3174CO 0.51 0.46 0.03 -0.47 0.00 0.00 0.00 175.10 175.63 1sq5 s TYR 3175N -0.38 3.09 -0.22 5.22 5.04 -1.26 -0.68 117.35 128.16 1sq5 s TYR 3175Ca 0.05 0.05 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 1sq5 s TYR 3175Cb -0.09 -1.61 0.05 0.00 0.35 0.00 0.00 41.96 40.66 1sq5 s TYR 3175CO -0.00 0.49 -0.08 0.45 -1.34 0.00 0.00 175.55 175.07 1sq5 s SER 3176N -2.09 3.76 0.56 4.32 0.15 -0.71 -4.88 113.70 114.81 1sq5 s SER 3176Ca 0.25 -1.10 0.35 0.00 0.70 0.00 0.00 55.95 56.15 1sq5 s SER 3176Cb -0.12 -1.25 1.53 0.00 -1.71 0.00 0.00 66.02 64.47 1sq5 s SER 3176CO 0.17 -0.19 2.05 0.45 1.20 0.00 0.00 173.24 176.91 1sq5 h HIS 3177N 7.94 0.00 -0.22 3.44 3.86 -1.96 0.60 115.15 128.81 1sq5 h HIS 3177Ca -0.22 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.87 1sq5 h HIS 3177Cb 1.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 1sq5 h HIS 3177CO 0.52 0.02 -0.38 -0.07 0.86 0.00 0.00 177.93 178.88 1sq5 h LEU 3178N 0.00 0.53 -0.36 2.43 4.07 -1.95 -3.09 115.31 116.93 1sq5 h LEU 3178Ca -0.00 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1sq5 h LEU 3178Cb 0.43 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1sq5 h LEU 3178CO 0.00 0.86 -0.53 2.30 -1.08 0.00 0.00 178.44 179.99 1sq5 n ILE 3179N -4.04 0.00 -3.42 1.22 -5.35 -0.92 -1.65 119.36 105.20 1sq5 n ILE 3179Ca -0.01 -0.23 -0.19 0.00 -0.27 0.00 0.00 62.75 62.04 1sq5 n ILE 3179Cb 0.50 1.08 0.08 0.00 -1.74 0.00 0.00 39.64 39.55 1sq5 n ILE 3179CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sq5 n TYR 3180N -0.84 -2.38 -3.59 4.28 9.36 0.21 -4.79 117.16 119.40 1sq5 n TYR 3180Ca 0.04 0.90 -0.06 0.00 3.32 0.00 0.00 57.90 62.11 1sq5 n TYR 3180Cb 0.27 -4.75 -0.02 0.00 -0.63 0.00 0.00 39.34 34.21 1sq5 n TYR 3180CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1sq5 s ASP 3181N -3.68 -0.25 0.22 2.98 2.15 -1.01 -4.89 116.67 112.18 1sq5 s ASP 3181Ca 0.32 -0.11 -0.30 0.00 0.43 0.00 0.00 52.55 52.88 1sq5 s ASP 3181Cb -0.14 0.35 -0.09 0.00 -0.30 0.00 0.00 42.92 42.74 1sq5 s ASP 3181CO 0.67 -0.59 1.33 -0.69 -0.17 0.00 0.00 175.17 175.72 1sq5 s VAL 3182N -2.97 3.06 -0.41 1.11 1.01 -1.26 -1.73 120.40 119.20 1sq5 s VAL 3182Ca 0.08 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.67 1sq5 s VAL 3182Cb -0.00 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1sq5 s VAL 3182CO -0.05 0.14 1.24 -0.63 0.00 0.00 0.00 175.10 175.81 1sq5 s ILE 3183N -0.05 4.13 0.19 2.22 1.01 0.15 -4.91 121.20 123.95 1sq5 s ILE 3183Ca 0.56 1.20 -0.20 0.00 0.00 0.00 0.00 60.65 62.21 1sq5 s ILE 3183Cb -0.38 -4.39 0.12 0.00 0.01 0.00 0.00 42.46 37.83 1sq5 s ILE 3183CO 0.40 -0.79 1.41 -0.81 0.00 0.00 0.00 174.94 175.16 1sq5 n PRO 3184N 7.73 -0.28 -2.59 2.79 -0.04 -1.26 -2.70 135.00 138.64 1sq5 n PRO 3184Ca 0.14 1.39 -0.23 0.00 -0.04 0.00 0.00 63.50 64.76 1sq5 n PRO 3184Cb 0.48 -2.06 -0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1sq5 n PRO 3184CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1sq5 n ASP 3185N -5.27 3.97 -0.53 3.54 8.00 -1.26 -4.78 116.55 120.22 1sq5 n ASP 3185Ca 0.07 -3.51 0.07 0.00 0.71 0.00 0.00 54.79 52.12 1sq5 n ASP 3185Cb 0.32 -0.49 0.17 0.00 -0.02 0.00 0.00 41.12 41.10 1sq5 n ASP 3185CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sq5 n GLY 3186N -0.35 4.61 3.68 0.44 0.00 -1.10 -5.07 105.19 107.40 1sq5 n GLY 3186Ca 0.32 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1sq5 n GLY 3186CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sq5 n ASP 3187N -1.04 2.65 -4.68 1.61 9.92 -1.26 -4.33 116.55 119.41 1sq5 n ASP 3187Ca 0.17 1.18 -0.36 0.00 -0.53 0.00 0.00 54.79 55.25 1sq5 n ASP 3187Cb 0.71 -1.45 -0.09 0.00 -0.64 0.00 0.00 41.12 39.65 1sq5 n ASP 3187CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1sq5 s LYS 3188N -1.37 4.10 -0.25 -1.24 2.20 0.11 -4.89 119.74 118.41 1sq5 s LYS 3188Ca 0.60 -0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 55.79 1sq5 s LYS 3188Cb -0.60 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 1sq5 s LYS 3188CO 0.58 0.16 0.40 0.99 -0.36 0.00 0.00 175.35 177.12 1sq5 s THR 3189N 0.75 5.17 -0.20 3.43 2.01 -1.26 -0.64 115.64 124.90 1sq5 s THR 3189Ca 0.07 0.66 -0.16 0.00 0.31 0.00 0.00 61.69 62.58 1sq5 s THR 3189Cb -0.12 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1sq5 s THR 3189CO 0.02 0.18 0.39 -0.69 -0.69 0.00 0.00 174.62 173.82 1sq5 s VAL 3190N 1.88 5.21 -0.18 3.82 1.01 0.19 -4.94 120.40 127.38 1sq5 s VAL 3190Ca 0.17 0.69 0.16 0.00 0.00 0.00 0.00 61.98 63.00 1sq5 s VAL 3190Cb -0.15 -3.72 0.45 0.00 0.00 0.00 0.00 36.38 32.96 1sq5 s VAL 3190CO 0.09 0.27 1.34 1.33 0.00 0.00 0.00 175.10 178.12 1sq5 n VAL 3191N 4.26 2.20 -3.73 2.92 0.24 -1.26 -1.35 118.33 121.61 1sq5 n VAL 3191Ca -0.09 -2.18 -0.12 0.00 -2.04 0.00 0.00 64.34 59.91 1sq5 n VAL 3191Cb 0.51 -0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.55 1sq5 n VAL 3191CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1sq5 s PRO 3193N -2.92 0.85 0.00 7.34 0.02 -1.26 -5.05 135.00 133.98 1sq5 s PRO 3193Ca 0.39 -0.49 0.06 0.00 0.02 0.00 0.00 61.00 60.98 1sq5 s PRO 3193Cb 0.33 0.37 -0.24 0.00 0.02 0.00 0.00 34.50 34.99 1sq5 s PRO 3193CO 0.05 -0.28 0.84 -0.44 -0.33 0.00 0.00 177.00 176.83 1sq5 h ASP 3194N 3.10 0.14 -3.65 2.53 3.32 -1.92 -3.37 116.42 116.56 1sq5 h ASP 3194Ca -0.32 -0.22 -0.25 0.00 0.02 0.00 0.00 57.03 56.26 1sq5 h ASP 3194Cb 1.20 -0.04 -0.30 0.00 0.22 0.00 0.00 39.33 40.41 1sq5 h ASP 3194CO 0.46 1.18 -0.71 -0.63 -1.72 0.00 0.00 179.24 177.82 1sq5 s ILE 3195N -2.63 -0.02 -0.12 0.35 1.01 -1.26 -1.54 121.20 116.99 1sq5 s ILE 3195Ca -0.06 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1sq5 s ILE 3195Cb 0.08 -0.05 0.01 0.00 0.01 0.00 0.00 42.46 42.51 1sq5 s ILE 3195CO 0.83 0.03 -0.18 -0.22 0.00 0.00 0.00 174.94 175.40 1sq5 s LEU 3196N 0.41 1.85 -0.27 2.97 2.96 -0.19 -0.15 118.68 126.26 1sq5 s LEU 3196Ca -0.03 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 1sq5 s LEU 3196Cb -0.05 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 1sq5 s LEU 3196CO -0.01 0.04 0.15 -0.63 -1.32 0.00 0.00 176.35 174.58 1sq5 s ILE 3197N 0.92 5.00 -0.35 6.68 1.01 0.31 -0.57 121.20 134.20 1sq5 s ILE 3197Ca -0.07 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 1sq5 s ILE 3197Cb -0.15 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 38.99 1sq5 s ILE 3197CO -0.02 0.28 0.14 -0.22 0.00 0.00 0.00 174.94 175.12 1sq5 s LEU 3198N 1.70 4.45 -0.20 2.97 2.96 0.19 -0.93 118.68 129.83 1sq5 s LEU 3198Ca 0.07 -1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 52.81 1sq5 s LEU 3198Cb -0.16 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1sq5 s LEU 3198CO 0.09 -0.35 0.02 -0.70 -1.32 0.00 0.00 176.35 174.09 1sq5 s GLU 3199N 1.44 3.71 -0.30 1.98 -6.30 -0.31 -0.59 118.70 118.34 1sq5 s GLU 3199Ca -0.01 -0.47 -0.29 0.00 -2.50 0.00 0.00 54.97 51.70 1sq5 s GLU 3199Cb -0.19 -3.12 0.20 0.00 0.00 0.00 0.00 34.13 31.01 1sq5 s GLU 3199CO 0.04 0.08 1.40 0.20 0.02 0.00 0.00 175.26 177.00 1sq5 s GLY 3200N 0.84 0.14 0.61 -1.50 0.00 -0.47 -1.19 107.32 105.76 1sq5 s GLY 3200Ca 0.01 2.97 0.39 0.00 0.00 0.00 0.00 44.72 48.09 1sq5 s GLY 3200CO 0.02 1.18 2.18 0.17 0.00 0.00 0.00 173.10 176.65 1sq5 h LEU 3201N 2.08 0.00 -2.90 0.66 8.10 -1.80 -3.10 115.31 118.34 1sq5 h LEU 3201Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.90 1sq5 h LEU 3201Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.41 1sq5 h LEU 3201CO 0.21 0.00 0.00 -0.46 -4.11 0.00 0.00 178.44 174.08 1sq5 n ASN 3202N -3.10 3.48 0.13 0.17 6.94 -1.26 -4.32 115.26 117.30 1sq5 n ASN 3202Ca -0.01 -2.12 0.10 0.00 -0.02 0.00 0.00 54.58 52.52 1sq5 n ASN 3202Cb 0.19 -0.36 0.48 0.00 -2.36 0.00 0.00 39.78 37.73 1sq5 n ASN 3202CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1sq5 n VAL 3203N 0.81 1.06 0.76 3.53 0.24 -1.17 -1.81 118.33 121.75 1sq5 n VAL 3203Ca 0.17 0.52 0.08 0.00 -2.04 0.00 0.00 64.34 63.07 1sq5 n VAL 3203Cb 0.56 -1.48 -0.00 0.00 -1.47 0.00 0.00 33.84 31.45 1sq5 n VAL 3203CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1sq5 n LEU 3204N -2.14 1.71 -4.71 1.34 4.77 -1.26 -4.05 117.00 112.65 1sq5 n LEU 3204Ca 0.00 -0.77 -0.29 0.00 -0.03 0.00 0.00 56.01 54.92 1sq5 n LEU 3204Cb 0.10 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.35 1sq5 n LEU 3204CO 0.12 0.32 0.66 -1.10 -1.33 0.00 0.00 177.39 176.07 1sq5 s GLN 3205N -1.98 0.80 0.00 3.23 -0.21 -0.75 -4.93 119.66 115.82 1sq5 s GLN 3205Ca 0.14 0.53 0.00 0.00 0.02 0.00 0.00 55.36 56.05 1sq5 s GLN 3205Cb 0.14 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.37 1sq5 s GLN 3205CO 0.43 -2.48 0.00 -1.13 -2.12 0.00 0.00 175.29 169.99 1sq5 n SER 3206N -4.00 0.00 -0.34 5.90 3.41 -1.26 -4.54 113.62 112.79 1sq5 n SER 3206Ca 0.06 -0.48 0.09 0.00 -0.26 0.00 0.00 58.87 58.29 1sq5 n SER 3206Cb 0.57 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.81 1sq5 n SER 3206CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sq5 h GLY 3207N 0.00 1.54 1.96 5.00 0.00 -1.94 -1.12 103.07 108.51 1sq5 h GLY 3207Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1sq5 h GLY 3207CO 0.00 0.11 0.02 0.00 0.00 0.00 0.00 176.54 176.67 1sq5 h MET 3208N 0.88 0.00 -0.00 4.80 -0.00 -1.97 0.13 114.93 118.77 1sq5 h MET 3208Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.20 1sq5 h MET 3208Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 1sq5 h MET 3208CO -0.26 0.00 -0.19 -0.25 -0.00 0.00 0.00 176.91 176.20 1sq5 n ASP 3209N -3.38 0.40 -2.97 -0.10 8.00 -0.43 -4.15 116.55 113.93 1sq5 n ASP 3209Ca -0.03 -0.26 -0.22 0.00 0.71 0.00 0.00 54.79 54.99 1sq5 n ASP 3209Cb 0.09 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1sq5 n ASP 3209CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sq5 n TYR 3210N -1.20 2.30 0.29 1.24 4.02 0.03 -4.77 117.16 119.07 1sq5 n TYR 3210Ca 0.10 -3.75 0.14 0.00 -0.01 0.00 0.00 57.90 54.38 1sq5 n TYR 3210Cb 0.31 -0.42 0.89 0.00 -0.02 0.00 0.00 39.34 40.10 1sq5 n TYR 3210CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1sq5 h PRO 3211N 2.95 0.00 0.00 -0.72 0.13 -1.72 0.17 132.00 132.81 1sq5 h PRO 3211Ca 0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1sq5 h PRO 3211Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1sq5 h PRO 3211CO 0.68 0.00 -0.11 1.12 -0.23 0.00 0.00 178.00 179.45 1sq5 h HIS 3212N 0.00 0.00 -0.29 1.56 2.07 -1.92 -3.38 115.15 113.19 1sq5 h HIS 3212Ca 0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.34 1sq5 h HIS 3212Cb 0.01 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 29.85 1sq5 h HIS 3212CO 0.00 0.11 -0.46 -3.47 -3.07 0.00 0.00 177.93 171.04 1sq5 n ASP 3213N -3.20 -2.96 -4.77 3.10 4.64 -0.38 -5.16 116.55 107.82 1sq5 n ASP 3213Ca 0.01 -3.06 -0.41 0.00 -1.38 0.00 0.00 54.79 49.95 1sq5 n ASP 3213Cb 0.43 1.73 -0.01 0.00 -1.04 0.00 0.00 41.12 42.23 1sq5 n ASP 3213CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1sq5 s PRO 3214N 0.73 4.20 0.12 -0.67 0.04 -0.09 -4.85 135.00 134.47 1sq5 s PRO 3214Ca 0.31 2.44 0.11 0.00 0.04 0.00 0.00 61.00 63.89 1sq5 s PRO 3214Cb 0.16 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1sq5 s PRO 3214CO -0.18 -0.41 -0.26 -3.38 0.04 0.00 0.00 177.00 172.80 1sq5 s HIS 3215N -1.05 2.32 -1.36 0.56 -3.43 -1.26 -5.06 115.29 106.00 1sq5 s HIS 3215Ca 0.52 -0.38 0.15 0.00 -0.80 0.00 0.00 55.06 54.55 1sq5 s HIS 3215Cb -0.44 -1.28 0.00 0.00 -1.43 0.00 0.00 32.58 29.44 1sq5 s HIS 3215CO 0.58 0.31 0.81 0.72 -2.00 0.00 0.00 174.74 175.16 1sq5 n HIS 3216N 1.05 0.00 -4.30 0.38 8.25 -1.26 -3.98 115.22 115.37 1sq5 n HIS 3216Ca -0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.01 1sq5 n HIS 3216Cb 0.53 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.47 1sq5 n HIS 3216CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sq5 s VAL 3217N -1.72 1.24 0.43 1.59 1.01 -1.26 -5.03 120.40 116.65 1sq5 s VAL 3217Ca 0.12 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1sq5 s VAL 3217Cb 0.12 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1sq5 s VAL 3217CO 0.35 0.39 0.62 -0.36 0.00 0.00 0.00 175.10 176.11 1sq5 s PHE 3218N 1.14 3.13 0.21 5.22 2.99 -1.26 -4.98 117.98 124.43 1sq5 s PHE 3218Ca -0.05 0.05 -0.09 0.00 0.00 0.00 0.00 56.93 56.84 1sq5 s PHE 3218Cb -0.14 -2.29 0.29 0.00 0.00 0.00 0.00 43.02 40.88 1sq5 s PHE 3218CO -0.03 -0.33 1.76 0.28 -0.00 0.00 0.00 175.22 176.90 1sq5 h VAL 3219N 0.50 0.82 -0.12 -0.44 2.07 -1.85 -0.32 116.25 116.91 1sq5 h VAL 3219Ca -0.45 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 66.93 1sq5 h VAL 3219Cb 1.26 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1sq5 h VAL 3219CO 0.55 0.09 0.13 0.77 0.02 0.00 0.00 177.57 179.13 1sq5 h SER 3220N 0.50 0.00 0.51 0.57 4.64 -1.85 0.49 113.55 118.41 1sq5 h SER 3220Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1sq5 h SER 3220Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1sq5 h SER 3220CO -0.27 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.16 1sq5 n ASP 3221N -3.89 0.05 -0.09 4.97 8.00 -0.13 -2.14 116.55 123.32 1sq5 n ASP 3221Ca 0.00 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.08 1sq5 n ASP 3221Cb 0.24 -0.52 0.09 0.00 -0.02 0.00 0.00 41.12 40.91 1sq5 n ASP 3221CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sq5 n PHE 3222N -1.56 0.00 -4.97 1.24 3.01 0.15 -5.01 117.46 110.33 1sq5 n PHE 3222Ca 0.03 -0.78 -0.32 0.00 1.01 0.00 0.00 57.45 57.39 1sq5 n PHE 3222Cb 0.17 -0.12 -0.15 0.00 -0.01 0.00 0.00 39.48 39.37 1sq5 n PHE 3222CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1sq5 s VAL 3223N -2.15 2.66 -0.02 -4.37 1.01 -0.91 -4.76 120.40 111.85 1sq5 s VAL 3223Ca 0.22 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 1sq5 s VAL 3223Cb 0.19 -2.07 -0.33 0.00 0.00 0.00 0.00 36.38 34.17 1sq5 s VAL 3223CO 0.02 0.55 0.90 0.44 0.00 0.00 0.00 175.10 177.01 1sq5 h ASP 3224N 6.52 0.61 -3.57 3.32 5.19 -1.32 -3.47 116.42 123.70 1sq5 h ASP 3224Ca -0.26 -0.93 -0.32 0.00 -0.62 0.00 0.00 57.03 54.89 1sq5 h ASP 3224Cb 1.21 -0.20 -0.33 0.00 0.18 0.00 0.00 39.33 40.20 1sq5 h ASP 3224CO 0.52 1.54 -0.74 0.12 -3.12 0.00 0.00 179.24 177.56 1sq5 s PHE 3225N -2.50 0.26 -0.02 4.55 5.36 -0.95 -5.04 117.98 119.64 1sq5 s PHE 3225Ca -0.12 0.00 0.07 0.00 -0.96 0.00 0.00 56.93 55.92 1sq5 s PHE 3225Cb 0.02 -0.33 -0.02 0.00 -0.34 0.00 0.00 43.02 42.36 1sq5 s PHE 3225CO 0.87 -0.10 -0.23 -1.54 -1.46 0.00 0.00 175.22 172.76 1sq5 s SER 3226N 0.77 2.73 -0.07 6.13 1.04 -1.26 -1.40 113.70 121.64 1sq5 s SER 3226Ca -0.08 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 55.98 1sq5 s SER 3226Cb -0.11 -0.38 -0.01 0.00 0.10 0.00 0.00 66.02 65.63 1sq5 s SER 3226CO -0.01 0.27 -0.24 -0.63 0.98 0.00 0.00 173.24 173.61 1sq5 s ILE 3227N -0.47 2.00 -0.26 -1.02 1.01 -0.21 -0.35 121.20 121.90 1sq5 s ILE 3227Ca 0.07 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 1sq5 s ILE 3227Cb -0.10 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.69 1sq5 s ILE 3227CO -0.00 0.55 -0.02 -0.47 0.00 0.00 0.00 174.94 175.00 1sq5 s TYR 3228N 0.05 3.10 -0.19 3.97 5.04 0.57 0.04 117.35 129.93 1sq5 s TYR 3228Ca -0.10 -1.44 -0.25 0.00 -2.44 0.00 0.00 57.07 52.84 1sq5 s TYR 3228Cb -0.15 -2.11 -0.01 0.00 0.35 0.00 0.00 41.96 40.04 1sq5 s TYR 3228CO 0.06 -0.70 0.85 0.08 -1.34 0.00 0.00 175.55 174.49 1sq5 s VAL 3229N 1.36 4.86 0.08 3.14 1.01 0.00 -0.88 120.40 129.96 1sq5 s VAL 3229Ca 0.00 1.65 0.09 0.00 0.00 0.00 0.00 61.98 63.72 1sq5 s VAL 3229Cb -0.17 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1sq5 s VAL 3229CO -0.03 -0.01 -0.24 -0.62 0.00 0.00 0.00 175.10 174.20 1sq5 s ASP 3230N 1.20 3.42 -0.02 3.32 2.15 0.83 -4.24 116.67 123.33 1sq5 s ASP 3230Ca 0.38 -0.61 -0.29 0.00 0.43 0.00 0.00 52.55 52.47 1sq5 s ASP 3230Cb -0.16 -0.36 0.09 0.00 -0.30 0.00 0.00 42.92 42.19 1sq5 s ASP 3230CO 0.11 0.22 0.80 0.00 -0.17 0.00 0.00 175.17 176.13 1sq5 s ALA 3231N -0.95 -1.79 0.65 3.66 0.00 -1.26 -0.01 121.76 122.06 1sq5 s ALA 3231Ca 0.14 1.13 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 1sq5 s ALA 3231Cb -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1sq5 s ALA 3231CO 0.05 -0.52 1.19 -2.14 0.00 0.00 0.00 175.76 174.33 1sq5 s PRO 3232N -2.23 2.68 0.28 0.00 0.02 -1.26 -4.83 135.00 129.66 1sq5 s PRO 3232Ca -0.02 1.73 -0.00 0.00 0.02 0.00 0.00 61.00 62.72 1sq5 s PRO 3232Cb -0.01 -1.90 0.48 0.00 0.02 0.00 0.00 34.50 33.09 1sq5 s PRO 3232CO -0.02 -1.41 1.89 1.49 -0.33 0.00 0.00 177.00 178.62 1sq5 h GLU 3233N 0.36 1.06 -0.45 5.54 4.22 -2.01 -1.49 114.58 121.80 1sq5 h GLU 3233Ca -0.49 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 58.84 1sq5 h GLU 3233Cb 1.29 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1sq5 h GLU 3233CO 0.53 0.70 0.07 0.38 -2.18 0.00 0.00 179.01 178.51 1sq5 h ASP 3234N 1.09 0.65 0.21 1.04 2.03 -2.00 -1.19 116.42 118.25 1sq5 h ASP 3234Ca 0.42 -0.12 -0.27 0.00 -0.73 0.00 0.00 57.03 56.33 1sq5 h ASP 3234Cb 0.22 -0.17 0.02 0.00 -0.83 0.00 0.00 39.33 38.57 1sq5 h ASP 3234CO -0.17 0.67 -1.12 -0.07 -1.03 0.00 0.00 179.24 177.52 1sq5 h LEU 3235N 0.67 0.75 -0.80 0.15 3.38 -1.81 -3.02 115.31 114.62 1sq5 h LEU 3235Ca 0.14 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1sq5 h LEU 3235Cb 0.31 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1sq5 h LEU 3235CO 0.00 1.46 0.50 -0.07 0.09 0.00 0.00 178.44 180.43 1sq5 h LEU 3236N 0.27 0.95 -0.12 1.67 3.38 -1.04 -0.79 115.31 119.62 1sq5 h LEU 3236Ca -0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1sq5 h LEU 3236Cb 1.78 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1sq5 h LEU 3236CO 0.21 0.72 0.07 -0.61 0.09 0.00 0.00 178.44 178.91 1sq5 h GLN 3237N 1.09 0.17 -0.25 1.13 4.15 -1.27 0.24 115.11 120.37 1sq5 h GLN 3237Ca 0.29 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.71 1sq5 h GLN 3237Cb -0.07 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1sq5 h GLN 3237CO -0.06 0.18 0.12 1.15 -1.93 0.00 0.00 178.83 178.29 1sq5 h THR 3238N 0.11 0.98 -0.81 2.39 2.02 -1.35 -0.28 112.91 115.97 1sq5 h THR 3238Ca 0.04 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1sq5 h THR 3238Cb 0.06 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1sq5 h THR 3238CO -0.01 0.05 0.39 -0.50 0.37 0.00 0.00 175.52 175.82 1sq5 h TRP 3239N 0.25 1.16 0.19 3.16 6.55 -0.97 -0.26 115.95 126.02 1sq5 h TRP 3239Ca 0.10 -0.05 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 1sq5 h TRP 3239Cb 0.04 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 27.98 1sq5 h TRP 3239CO -0.10 0.84 -0.09 -0.92 -1.05 0.00 0.00 178.44 177.12 1sq5 h TYR 3240N 1.14 -0.23 -0.12 0.49 3.20 -0.60 -1.35 116.97 119.50 1sq5 h TYR 3240Ca 0.28 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1sq5 h TYR 3240Cb 0.11 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1sq5 h TYR 3240CO 0.01 -0.08 0.07 0.82 -1.64 0.00 0.00 178.16 177.34 1sq5 h ILE 3241N -0.33 1.01 -0.32 1.81 2.04 -0.86 -0.02 117.51 120.84 1sq5 h ILE 3241Ca -0.03 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1sq5 h ILE 3241Cb 0.25 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1sq5 h ILE 3241CO 0.04 0.03 0.11 0.78 0.00 0.00 0.00 178.15 179.11 1sq5 h ASN 3242N 0.14 0.40 -0.22 1.72 2.35 -1.01 0.87 115.58 119.84 1sq5 h ASN 3242Ca 0.05 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1sq5 h ASN 3242Cb -0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1sq5 h ASN 3242CO -0.02 0.39 -0.46 -0.09 -1.65 0.00 0.00 177.43 175.60 1sq5 h ARG 3243N 0.45 0.78 -0.04 0.81 2.43 -0.80 -2.24 114.38 115.77 1sq5 h ARG 3243Ca 0.11 -0.44 0.01 0.00 -0.81 0.00 0.00 59.98 58.84 1sq5 h ARG 3243Cb 0.12 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1sq5 h ARG 3243CO -0.01 1.07 -0.00 0.35 -1.51 0.00 0.00 179.97 179.87 1sq5 h PHE 3244N 0.62 -0.01 -0.64 2.20 3.57 0.27 -1.34 116.94 121.62 1sq5 h PHE 3244Ca 0.04 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1sq5 h PHE 3244Cb 1.03 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 1sq5 h PHE 3244CO 0.06 -0.01 0.37 -0.07 -2.23 0.00 0.00 178.31 176.42 1sq5 h LEU 3245N 0.01 0.57 -0.75 0.59 3.38 -0.79 0.25 115.31 118.57 1sq5 h LEU 3245Ca 0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1sq5 h LEU 3245Cb 0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1sq5 h LEU 3245CO -0.03 0.38 0.49 0.50 0.09 0.00 0.00 178.44 179.86 1sq5 h LYS 3246N 0.70 0.95 -0.73 1.13 3.64 -1.15 0.13 116.57 121.25 1sq5 h LYS 3246Ca 0.27 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1sq5 h LYS 3246Cb 0.12 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1sq5 h LYS 3246CO -0.15 0.63 0.27 0.74 -2.27 0.00 0.00 179.45 178.67 1sq5 h PHE 3247N 0.98 1.13 0.29 1.91 0.05 -0.11 -1.12 116.94 120.07 1sq5 h PHE 3247Ca 0.28 -0.10 -0.01 0.00 3.82 0.00 0.00 57.97 61.96 1sq5 h PHE 3247Cb -0.07 -0.33 0.00 0.00 2.00 0.00 0.00 35.95 37.55 1sq5 h PHE 3247CO -0.03 0.88 -0.14 -0.09 -0.18 0.00 0.00 178.31 178.75 1sq5 h ARG 3248N 1.05 -0.37 -0.48 1.51 2.43 0.56 -2.88 114.38 116.19 1sq5 h ARG 3248Ca 0.24 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 1sq5 h ARG 3248Cb 0.24 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 1sq5 h ARG 3248CO -0.02 -0.22 0.12 0.93 -1.51 0.00 0.00 179.97 179.27 1sq5 h GLU 3249N -0.43 0.26 0.00 0.20 5.08 -0.61 0.34 114.58 119.42 1sq5 h GLU 3249Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1sq5 h GLU 3249Cb 0.33 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1sq5 h GLU 3249CO 0.07 0.17 0.00 0.41 -1.00 0.00 0.00 179.01 178.66 1sq5 n GLY 3250N -1.27 -0.32 0.09 -3.84 0.00 -0.44 -2.07 105.19 97.33 1sq5 n GLY 3250Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1sq5 n GLY 3250CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq5 n ALA 3251N -1.09 3.26 -0.32 4.61 0.00 0.10 -4.69 120.51 122.39 1sq5 n ALA 3251Ca 0.05 -0.36 0.18 0.00 0.00 0.00 0.00 53.44 53.31 1sq5 n ALA 3251Cb 0.03 -0.40 0.37 0.00 0.00 0.00 0.00 19.45 19.46 1sq5 n ALA 3251CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sq5 h PHE 3252N 0.42 0.56 -0.28 0.00 0.05 -1.32 -1.45 116.94 114.92 1sq5 h PHE 3252Ca 0.00 0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.84 1sq5 h PHE 3252Cb 0.30 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 38.16 1sq5 h PHE 3252CO 0.00 -0.23 0.00 0.25 -0.18 0.00 0.00 178.31 178.15 1sq5 n THR 3253N -5.18 1.86 -3.85 -1.55 -2.24 -1.26 -4.84 114.28 97.21 1sq5 n THR 3253Ca 0.26 -1.59 -0.29 0.00 -2.27 0.00 0.00 64.05 60.15 1sq5 n THR 3253Cb 0.83 -0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.92 1sq5 n THR 3253CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sq5 s ASP 3254N -1.63 4.13 0.00 3.42 2.15 -0.55 -4.94 116.67 119.25 1sq5 s ASP 3254Ca 0.36 -3.09 0.05 0.00 0.43 0.00 0.00 52.55 50.30 1sq5 s ASP 3254Cb 0.27 -1.43 0.19 0.00 -0.30 0.00 0.00 42.92 41.65 1sq5 s ASP 3254CO 0.11 -0.21 1.14 -2.65 -0.17 0.00 0.00 175.17 173.39 1sq5 n PRO 3255N 2.98 0.00 0.00 4.34 -0.02 -1.26 -1.33 135.00 139.71 1sq5 n PRO 3255Ca 0.10 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 1sq5 n PRO 3255Cb 0.34 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.74 1sq5 n PRO 3255CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sq5 n ASP 3256N -1.49 0.29 -4.84 2.55 8.00 -1.26 -4.87 116.55 114.94 1sq5 n ASP 3256Ca 0.01 0.05 -0.35 0.00 0.71 0.00 0.00 54.79 55.21 1sq5 n ASP 3256Cb 0.05 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 1sq5 n ASP 3256CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1sq5 s SER 3257N -2.97 6.88 0.21 -2.24 0.15 -0.44 -4.86 113.70 110.43 1sq5 s SER 3257Ca 0.13 1.17 -0.10 0.00 0.70 0.00 0.00 55.95 57.85 1sq5 s SER 3257Cb 0.18 -2.32 0.15 0.00 -1.71 0.00 0.00 66.02 62.32 1sq5 s SER 3257CO 0.62 0.07 1.86 0.22 1.20 0.00 0.00 173.24 177.21 1sq5 h TYR 3258N 3.44 0.96 0.00 3.44 3.20 -1.62 -2.54 116.97 123.85 1sq5 h TYR 3258Ca -0.48 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1sq5 h TYR 3258Cb 1.19 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1sq5 h TYR 3258CO 0.65 0.63 0.00 1.19 -1.64 0.00 0.00 178.16 178.98 1sq5 n PHE 3259N -4.53 0.00 0.26 -3.82 3.01 -1.26 -2.54 117.46 108.57 1sq5 n PHE 3259Ca 0.07 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.62 1sq5 n PHE 3259Cb 0.04 -0.47 0.67 0.00 -0.01 0.00 0.00 39.48 39.70 1sq5 n PHE 3259CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1sq5 h HIS 3260N 0.00 0.00 0.00 1.38 2.76 -1.69 -0.53 115.15 117.07 1sq5 h HIS 3260Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1sq5 h HIS 3260Cb 0.17 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 1sq5 h HIS 3260CO 0.00 0.06 -0.03 -0.91 -1.30 0.00 0.00 177.93 175.74 1sq5 h ASN 3261N 0.00 0.00 0.54 3.26 2.35 -1.70 -1.76 115.58 118.27 1sq5 h ASN 3261Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sq5 h ASN 3261Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1sq5 h ASN 3261CO 0.01 0.03 -0.15 -1.22 -1.65 0.00 0.00 177.43 174.45 1sq5 n TYR 3262N -4.41 0.00 0.46 1.19 4.02 -0.21 -3.42 117.16 114.79 1sq5 n TYR 3262Ca -0.03 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.99 1sq5 n TYR 3262Cb 0.12 -0.27 0.34 0.00 -0.02 0.00 0.00 39.34 39.50 1sq5 n TYR 3262CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sq5 h ALA 3263N 3.36 1.00 0.00 -0.72 0.00 -1.33 -2.92 119.26 118.65 1sq5 h ALA 3263Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1sq5 h ALA 3263Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sq5 h ALA 3263CO 0.00 0.00 -0.14 0.87 0.00 0.00 0.00 179.25 179.98 1sq5 h LYS 3264N 0.00 0.00 -6.79 0.00 1.57 -1.68 -3.45 116.57 106.23 1sq5 h LYS 3264Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1sq5 h LYS 3264Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1sq5 h LYS 3264CO 0.00 0.14 0.09 -0.51 -0.57 0.00 0.00 179.45 178.60 1sq5 s LEU 3265N -6.43 3.90 0.79 2.94 1.43 -1.10 -5.06 118.68 115.14 1sq5 s LEU 3265Ca 0.03 1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 1sq5 s LEU 3265Cb 0.08 -3.98 0.07 0.00 0.03 0.00 0.00 46.19 42.39 1sq5 s LEU 3265CO 0.63 -0.34 1.09 0.42 0.23 0.00 0.00 176.35 178.38 1sq5 s THR 3266N -2.27 3.23 0.23 5.49 -4.23 -1.26 -4.78 115.64 112.06 1sq5 s THR 3266Ca 0.51 0.40 -0.07 0.00 -1.18 0.00 0.00 61.69 61.36 1sq5 s THR 3266Cb -0.10 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 71.03 1sq5 s THR 3266CO 0.28 -0.52 1.85 0.50 -0.54 0.00 0.00 174.62 176.20 1sq5 h LYS 3267N -1.19 0.93 -0.12 3.99 3.64 -1.95 -0.31 116.57 121.55 1sq5 h LYS 3267Ca -0.45 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1sq5 h LYS 3267Cb 1.24 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1sq5 h LYS 3267CO 0.53 0.62 -0.03 1.49 -2.27 0.00 0.00 179.45 179.78 1sq5 h GLU 3268N 0.96 0.00 -0.20 1.90 4.81 -2.00 -1.07 114.58 118.98 1sq5 h GLU 3268Ca 0.35 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1sq5 h GLU 3268Cb 0.12 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1sq5 h GLU 3268CO -0.15 0.00 -0.35 1.49 -0.73 0.00 0.00 179.01 179.27 1sq5 h GLU 3269N 0.00 0.42 -0.83 1.92 4.81 -1.82 -2.66 114.58 116.43 1sq5 h GLU 3269Ca 0.06 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1sq5 h GLU 3269Cb 0.09 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1sq5 h GLU 3269CO -0.12 0.72 0.45 0.00 -0.73 0.00 0.00 179.01 179.33 1sq5 h ALA 3270N 1.27 1.23 -0.46 2.92 0.00 -0.52 0.13 119.26 123.83 1sq5 h ALA 3270Ca 0.04 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1sq5 h ALA 3270Cb 0.79 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1sq5 h ALA 3270CO 0.06 0.62 -0.25 0.82 0.00 0.00 0.00 179.25 180.50 1sq5 h ILE 3271N 1.16 1.27 -0.25 0.00 2.04 -1.03 -0.86 117.51 119.84 1sq5 h ILE 3271Ca 0.29 -1.42 -0.11 0.00 1.00 0.00 0.00 64.86 64.62 1sq5 h ILE 3271Cb 0.03 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1sq5 h ILE 3271CO -0.05 0.49 -0.31 0.50 0.00 0.00 0.00 178.15 178.78 1sq5 h LYS 3272N 0.84 0.51 -0.28 2.37 3.64 -1.07 -0.06 116.57 122.51 1sq5 h LYS 3272Ca 0.10 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1sq5 h LYS 3272Cb 0.83 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1sq5 h LYS 3272CO 0.07 0.76 0.05 1.15 -2.27 0.00 0.00 179.45 179.21 1sq5 h THR 3273N 0.44 1.23 -0.57 1.00 2.02 -0.50 -1.70 112.91 114.83 1sq5 h THR 3273Ca 0.06 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 1sq5 h THR 3273Cb 0.76 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1sq5 h THR 3273CO 0.06 0.26 0.14 0.00 0.37 0.00 0.00 175.52 176.35 1sq5 h ALA 3274N 0.87 1.19 -0.47 6.16 0.00 -0.90 -1.28 119.26 124.83 1sq5 h ALA 3274Ca 0.09 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1sq5 h ALA 3274Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1sq5 h ALA 3274CO 0.01 0.56 0.01 1.98 0.00 0.00 0.00 179.25 181.80 1sq5 h MET 3275N 0.84 0.77 -0.35 0.00 -1.53 -0.74 -1.01 114.93 112.91 1sq5 h MET 3275Ca 0.18 -0.20 -0.15 0.00 -3.44 0.00 0.00 59.70 56.09 1sq5 h MET 3275Cb 0.29 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.24 1sq5 h MET 3275CO -0.00 0.77 -0.38 1.15 0.14 0.00 0.00 176.91 178.58 1sq5 h THR 3276N 0.72 1.28 -0.95 -0.77 2.02 -0.85 -0.42 112.91 113.93 1sq5 h THR 3276Ca 0.14 -1.56 0.01 0.00 0.77 0.00 0.00 66.41 65.78 1sq5 h THR 3276Cb 0.42 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1sq5 h THR 3276CO 0.02 0.52 0.63 -0.07 0.37 0.00 0.00 175.52 176.98 1sq5 h LEU 3277N 0.69 1.10 0.37 2.58 3.38 -0.91 -0.80 115.31 121.70 1sq5 h LEU 3277Ca 0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1sq5 h LEU 3277Cb 0.97 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1sq5 h LEU 3277CO 0.09 0.80 -0.18 -0.25 0.09 0.00 0.00 178.44 178.99 1sq5 h TRP 3278N 1.29 -0.46 -0.29 1.13 2.91 -0.86 -1.99 115.95 117.70 1sq5 h TRP 3278Ca 0.35 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.28 1sq5 h TRP 3278Cb -0.15 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 1sq5 h TRP 3278CO -0.00 -0.18 -0.13 0.87 -1.03 0.00 0.00 178.44 177.97 1sq5 h LYS 3279N -0.69 0.59 0.00 2.65 1.57 -0.95 0.51 116.57 120.25 1sq5 h LYS 3279Ca -0.05 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 1sq5 h LYS 3279Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1sq5 h LYS 3279CO 0.08 0.82 -0.61 0.93 -0.57 0.00 0.00 179.45 180.10 1sq5 h GLU 3280N 0.34 0.00 0.00 3.15 5.08 -1.26 -3.29 114.58 118.60 1sq5 h GLU 3280Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sq5 h GLU 3280Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1sq5 h GLU 3280CO 0.04 0.43 -0.10 -0.89 -1.00 0.00 0.00 179.01 177.48 1sq5 n ILE 3281N -3.15 0.47 -0.18 3.13 5.41 -0.77 -4.60 119.36 119.68 1sq5 n ILE 3281Ca 0.00 0.21 -0.09 0.00 1.00 0.00 0.00 62.75 63.87 1sq5 n ILE 3281Cb 0.73 -1.38 0.01 0.00 -0.71 0.00 0.00 39.64 38.29 1sq5 n ILE 3281CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1sq5 h ASN 3282N -0.10 0.84 -0.23 4.38 2.35 -1.34 -1.44 115.58 120.04 1sq5 h ASN 3282Ca 0.00 -0.29 -0.16 0.00 -0.55 0.00 0.00 56.30 55.31 1sq5 h ASN 3282Cb 0.10 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1sq5 h ASN 3282CO 0.00 0.92 -0.44 -0.25 -1.65 0.00 0.00 177.43 176.01 1sq5 h TRP 3283N 0.74 0.95 -0.70 1.19 7.01 -0.17 -0.54 115.95 124.42 1sq5 h TRP 3283Ca 0.15 -0.30 -0.05 0.00 2.11 0.00 0.00 58.89 60.80 1sq5 h TRP 3283Cb 0.46 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 1sq5 h TRP 3283CO 0.03 1.08 0.26 1.25 -2.79 0.00 0.00 178.44 178.28 1sq5 h LEU 3284N 0.63 0.99 -0.89 0.65 5.85 -1.62 -1.35 115.31 119.57 1sq5 h LEU 3284Ca 0.04 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1sq5 h LEU 3284Cb 1.01 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1sq5 h LEU 3284CO 0.10 0.91 0.22 -1.13 -0.34 0.00 0.00 178.44 178.19 1sq5 h ASN 3285N 1.01 0.97 0.08 1.25 -1.24 -1.02 -0.94 115.58 115.69 1sq5 h ASN 3285Ca 0.23 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 1sq5 h ASN 3285Cb 0.24 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1sq5 h ASN 3285CO -0.02 0.90 -0.04 0.25 -1.29 0.00 0.00 177.43 177.23 1sq5 h LEU 3286N 1.00 -0.09 -0.40 0.34 5.85 -0.43 0.25 115.31 121.84 1sq5 h LEU 3286Ca 0.22 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1sq5 h LEU 3286Cb 0.27 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1sq5 h LEU 3286CO -0.01 -0.00 0.04 0.11 -0.34 0.00 0.00 178.44 178.24 1sq5 h LYS 3287N -0.17 0.67 0.03 1.25 1.57 -1.07 0.30 116.57 119.15 1sq5 h LYS 3287Ca -0.01 -0.19 -0.25 0.00 -1.87 0.00 0.00 60.65 58.32 1sq5 h LYS 3287Cb 0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1sq5 h LYS 3287CO 0.02 0.74 -1.28 1.96 -0.57 0.00 0.00 179.45 180.32 1sq5 h GLN 3288N 0.51 0.06 0.00 3.15 4.20 -1.18 -3.42 115.11 118.44 1sq5 h GLN 3288Ca 0.12 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1sq5 h GLN 3288Cb 0.41 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1sq5 h GLN 3288CO 0.01 0.91 -0.74 0.09 -0.67 0.00 0.00 178.83 178.43 1sq5 n ASN 3289N -3.31 3.69 -0.08 1.46 3.02 0.02 -4.86 115.26 115.20 1sq5 n ASN 3289Ca -0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.39 1sq5 n ASN 3289Cb 0.99 0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 40.48 1sq5 n ASN 3289CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1sq5 n ILE 3290N -1.63 1.45 -0.30 2.41 5.41 -0.84 -4.44 119.36 121.41 1sq5 n ILE 3290Ca 0.00 0.15 0.14 0.00 1.00 0.00 0.00 62.75 64.05 1sq5 n ILE 3290Cb 0.37 -2.31 0.39 0.00 -0.71 0.00 0.00 39.64 37.38 1sq5 n ILE 3290CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1sq5 h LEU 3291N -1.00 0.65 -2.20 1.39 5.85 -0.67 -1.34 115.31 118.00 1sq5 h LEU 3291Ca -0.09 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1sq5 h LEU 3291Cb 0.71 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1sq5 h LEU 3291CO -0.05 0.27 0.00 -0.65 -0.34 0.00 0.00 178.44 177.67 1sq5 h PRO 3292N 0.65 0.00 -0.01 5.25 0.11 -1.79 -2.08 132.00 134.14 1sq5 h PRO 3292Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1sq5 h PRO 3292Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1sq5 h PRO 3292CO -0.26 0.00 -0.24 0.25 -0.21 0.00 0.00 178.00 177.54 1sq5 n THR 3293N -2.86 0.00 -0.26 -1.15 -2.24 -0.50 -4.43 114.28 102.83 1sq5 n THR 3293Ca -0.02 -0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.69 1sq5 n THR 3293Cb 0.13 0.34 0.19 0.00 -2.10 0.00 0.00 70.33 68.89 1sq5 n THR 3293CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1sq5 h ARG 3294N 1.13 0.49 0.00 -0.78 2.43 -1.46 -1.58 114.38 114.61 1sq5 h ARG 3294Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1sq5 h ARG 3294Cb 0.49 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1sq5 h ARG 3294CO 0.00 0.32 0.00 0.39 -1.51 0.00 0.00 179.97 179.17 1sq5 n GLU 3295N -4.95 0.61 0.00 0.20 4.71 -1.26 -2.06 120.64 117.88 1sq5 n GLU 3295Ca 0.14 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.41 1sq5 n GLU 3295Cb 0.40 -1.38 0.21 0.00 -1.01 0.00 0.00 31.44 29.65 1sq5 n GLU 3295CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1sq5 n ARG 3296N -0.88 0.88 -2.70 3.49 1.74 -0.59 -4.95 116.66 113.65 1sq5 n ARG 3296Ca 0.11 -0.63 -0.33 0.00 -0.77 0.00 0.00 57.85 56.23 1sq5 n ARG 3296Cb 0.05 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 1sq5 n ARG 3296CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sq5 s ALA 3297N -2.55 3.00 0.17 7.54 0.00 -0.88 -4.96 121.76 124.09 1sq5 s ALA 3297Ca 0.21 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 1sq5 s ALA 3297Cb 0.19 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.18 1sq5 s ALA 3297CO 0.57 -0.02 1.46 0.77 0.00 0.00 0.00 175.76 178.53 1sq5 h SER 3298N 1.70 0.68 -3.63 0.00 0.02 -1.03 -3.45 113.55 107.85 1sq5 h SER 3298Ca -0.49 -0.39 -0.24 0.00 -0.84 0.00 0.00 61.79 59.84 1sq5 h SER 3298Cb 1.19 -0.20 -0.30 0.00 0.14 0.00 0.00 62.40 63.24 1sq5 h SER 3298CO 0.61 1.13 -0.64 -0.22 -1.14 0.00 0.00 176.83 176.56 1sq5 s LEU 3299N -8.34 1.36 -0.24 5.07 0.20 -0.10 -0.81 118.68 115.82 1sq5 s LEU 3299Ca -0.08 0.16 -0.05 0.00 0.69 0.00 0.00 54.13 54.85 1sq5 s LEU 3299Cb 0.11 0.21 -0.01 0.00 -0.43 0.00 0.00 46.19 46.07 1sq5 s LEU 3299CO 0.86 -0.07 -0.00 -0.63 -0.29 0.00 0.00 176.35 176.21 1sq5 s ILE 3300N 0.51 3.64 -0.47 6.68 1.01 0.68 -0.31 121.20 132.93 1sq5 s ILE 3300Ca -0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1sq5 s ILE 3300Cb -0.06 -2.71 0.10 0.00 0.01 0.00 0.00 42.46 39.80 1sq5 s ILE 3300CO -0.02 0.34 0.36 -0.22 0.00 0.00 0.00 174.94 175.41 1sq5 s LEU 3301N 1.50 5.61 -0.16 2.97 2.96 -0.06 -1.38 118.68 130.13 1sq5 s LEU 3301Ca 0.05 -1.60 -0.18 0.00 -0.22 0.00 0.00 54.13 52.18 1sq5 s LEU 3301Cb -0.15 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1sq5 s LEU 3301CO -0.01 -0.67 0.50 -0.89 -1.32 0.00 0.00 176.35 173.97 1sq5 s THR 3302N 1.51 5.15 0.27 3.68 2.01 -0.63 -0.12 115.64 127.51 1sq5 s THR 3302Ca 0.04 0.96 0.08 0.00 0.31 0.00 0.00 61.69 63.08 1sq5 s THR 3302Cb -0.25 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1sq5 s THR 3302CO 0.03 0.25 0.12 -0.54 -0.69 0.00 0.00 174.62 173.79 1sq5 s LYS 3303N 1.10 2.61 0.00 4.92 1.02 0.98 -1.09 119.74 129.29 1sq5 s LYS 3303Ca 0.25 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 54.99 1sq5 s LYS 3303Cb -0.15 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1sq5 s LYS 3303CO 0.10 0.34 0.00 -1.13 -0.92 0.00 0.00 175.35 173.75 1sq5 n SER 3304N -1.07 0.27 -4.52 2.83 3.41 0.67 -4.53 113.62 110.68 1sq5 n SER 3304Ca -0.06 -0.09 -0.47 0.00 -0.26 0.00 0.00 58.87 57.98 1sq5 n SER 3304Cb 0.59 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 1sq5 n SER 3304CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sq5 n ALA 3305N -3.00 -1.33 -1.51 7.33 0.00 -1.26 -1.00 120.51 119.74 1sq5 n ALA 3305Ca 0.00 0.42 -0.17 0.00 0.00 0.00 0.00 53.44 53.69 1sq5 n ALA 3305Cb 0.00 -1.87 -0.07 0.00 0.00 0.00 0.00 19.45 17.51 1sq5 n ALA 3305CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sq5 n ASN 3306N 1.60 -5.14 -0.16 0.00 3.02 -1.26 -2.64 115.26 110.68 1sq5 n ASN 3306Ca 0.13 0.43 -0.02 0.00 -0.03 0.00 0.00 54.58 55.10 1sq5 n ASN 3306Cb 0.28 -4.18 -0.01 0.00 -0.61 0.00 0.00 39.78 35.26 1sq5 n ASN 3306CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1sq5 n HIS 3307N -2.48 0.00 -2.22 3.10 8.25 -0.17 -4.97 115.22 116.72 1sq5 n HIS 3307Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 1sq5 n HIS 3307Cb 0.58 -1.19 -0.03 0.00 1.12 0.00 0.00 29.99 30.47 1sq5 n HIS 3307CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq5 s ALA 3308N -1.68 3.54 0.08 -1.41 0.00 -1.08 -4.64 121.76 116.56 1sq5 s ALA 3308Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 1sq5 s ALA 3308Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1sq5 s ALA 3308CO 0.00 -0.55 1.06 0.08 0.00 0.00 0.00 175.76 176.35 1sq5 s VAL 3309N 0.47 4.35 -0.09 0.00 1.01 -1.26 -0.24 120.40 124.64 1sq5 s VAL 3309Ca 0.59 1.81 0.05 0.00 0.00 0.00 0.00 61.98 64.43 1sq5 s VAL 3309Cb -0.36 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 1sq5 s VAL 3309CO 0.35 0.21 0.14 -1.84 0.00 0.00 0.00 175.10 173.96 1sq5 n GLU 3310N 3.31 2.24 -3.69 2.72 0.28 -0.25 -4.60 120.64 120.65 1sq5 n GLU 3310Ca 0.05 -0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.88 1sq5 n GLU 3310Cb 0.48 -0.96 -0.08 0.00 1.43 0.00 0.00 31.44 32.31 1sq5 n GLU 3310CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sq5 s GLU 3311N -1.98 0.71 -0.06 3.44 2.12 -1.19 -1.44 118.70 120.30 1sq5 s GLU 3311Ca -0.00 0.17 -0.00 0.00 0.36 0.00 0.00 54.97 55.49 1sq5 s GLU 3311Cb 0.03 0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.78 1sq5 s GLU 3311CO 0.20 -0.18 -0.01 0.08 -0.54 0.00 0.00 175.26 174.81 1sq5 s VAL 3312N -0.80 0.42 -0.13 3.70 1.01 0.15 -1.60 120.40 123.15 1sq5 s VAL 3312Ca -0.09 0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1sq5 s VAL 3312Cb -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1sq5 s VAL 3312CO 0.04 0.24 -0.21 -0.13 0.00 0.00 0.00 175.10 175.04 1sq5 s ARG 3313N 1.57 3.08 -0.07 2.72 0.52 -0.48 -0.50 118.95 125.80 1sq5 s ARG 3313Ca -0.01 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 1sq5 s ARG 3313Cb -0.13 -2.43 -0.00 0.00 0.52 0.00 0.00 34.95 32.91 1sq5 s ARG 3313CO -0.03 0.07 -0.21 -1.17 0.02 0.00 0.00 175.30 173.98 1sq5 s LEU 3314N 0.62 1.98 0.21 2.53 2.96 -0.38 -0.23 118.68 126.36 1sq5 s LEU 3314Ca -0.11 -0.46 -0.32 0.00 -0.22 0.00 0.00 54.13 53.01 1sq5 s LEU 3314Cb -0.16 -1.21 -0.13 0.00 0.50 0.00 0.00 46.19 45.18 1sq5 s LEU 3314CO 0.03 0.16 1.55 0.54 -1.32 0.00 0.00 176.35 177.31 1sq5 n ARG 3315N 3.35 2.28 0.00 1.98 5.12 0.01 0.60 116.66 129.99 1sq5 n ARG 3315Ca -0.19 0.82 0.08 0.00 -1.93 0.00 0.00 57.85 56.62 1sq5 n ARG 3315Cb 0.53 -2.57 0.45 0.00 -1.16 0.00 0.00 32.46 29.71 1sq5 n ARG 3315CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33