#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djo s LEU 3009N 0.00 4.30 0.47 3.14 1.43 -1.26 -5.10 118.68 121.65 1djo s LEU 3009Ca 0.00 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.96 1djo s LEU 3009Cb 0.00 -2.85 -0.10 0.00 0.03 0.00 0.00 46.19 43.27 1djo s LEU 3009CO 0.00 -0.09 0.96 0.00 0.23 0.00 0.00 176.35 177.45 1djo s ALA 3010N -1.99 3.05 -0.38 4.21 0.00 -1.26 -4.72 121.76 120.67 1djo s ALA 3010Ca 0.35 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 1djo s ALA 3010Cb -0.09 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1djo s ALA 3010CO 0.29 -0.02 0.27 -0.80 0.00 0.00 0.00 175.76 175.49 1djo s ASN 3011N -2.56 6.04 -0.08 0.00 0.01 -1.26 0.14 114.94 117.23 1djo s ASN 3011Ca 0.61 -0.72 0.02 0.00 -0.71 0.00 0.00 52.86 52.05 1djo s ASN 3011Cb -0.09 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.41 1djo s ASN 3011CO 0.21 -0.36 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.61 1djo s VAL 3012N 1.68 3.03 -0.12 1.60 1.01 -0.55 -0.58 120.40 126.47 1djo s VAL 3012Ca 0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1djo s VAL 3012Cb -0.18 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1djo s VAL 3012CO 0.10 0.57 -0.02 -0.69 0.00 0.00 0.00 175.10 175.05 1djo s VAL 3013N -0.31 4.05 -0.28 2.92 1.01 -0.63 -2.72 120.40 124.43 1djo s VAL 3013Ca 0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1djo s VAL 3013Cb -0.13 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1djo s VAL 3013CO 0.03 0.54 0.09 -0.63 0.00 0.00 0.00 175.10 175.12 1djo s ILE 3014N -0.18 4.17 -0.38 2.22 1.01 -0.61 -0.87 121.20 126.55 1djo s ILE 3014Ca 0.04 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 1djo s ILE 3014Cb -0.13 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1djo s ILE 3014CO 0.02 0.16 0.30 -0.76 0.00 0.00 0.00 174.94 174.66 1djo s LEU 3015N 1.56 4.84 -0.05 2.97 1.43 0.97 -1.03 118.68 129.36 1djo s LEU 3015Ca 0.04 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1djo s LEU 3015Cb -0.16 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1djo s LEU 3015CO 0.03 -0.38 0.46 0.00 0.23 0.00 0.00 176.35 176.69 1djo s ALA 3016N 1.76 3.57 0.00 4.21 0.00 0.15 -1.78 121.76 129.68 1djo s ALA 3016Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1djo s ALA 3016Cb -0.18 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1djo s ALA 3016CO 0.11 0.23 0.48 0.25 0.00 0.00 0.00 175.76 176.83 1djo n THR 3017N 2.73 0.11 0.00 0.00 -2.24 -0.85 -0.91 114.28 113.12 1djo n THR 3017Ca -0.10 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1djo n THR 3017Cb 0.52 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1djo n THR 3017CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1djo n GLY 3018N -0.06 0.49 1.61 3.38 0.00 -1.23 -1.61 105.19 107.77 1djo n GLY 3018Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1djo n GLY 3018CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djo n GLY 3019N 0.00 -2.63 0.14 -0.02 0.00 -0.42 -4.07 105.19 98.20 1djo n GLY 3019Ca 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 1djo n GLY 3019CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1djo h THR 3020N 0.00 1.44 -0.13 2.61 2.02 -1.88 -0.18 112.91 116.78 1djo h THR 3020Ca 0.00 -2.17 0.04 0.00 0.77 0.00 0.00 66.41 65.05 1djo h THR 3020Cb 0.00 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1djo h THR 3020CO 0.00 0.63 0.18 -0.29 0.37 0.00 0.00 175.52 176.41 1djo h ILE 3021N 0.08 0.37 -0.31 3.11 2.10 -1.79 0.57 117.51 121.64 1djo h ILE 3021Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1djo h ILE 3021Cb 1.17 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1djo h ILE 3021CO 0.09 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.16 1djo n ALA 3022N -2.26 2.62 -1.99 0.18 0.00 -1.03 -4.41 120.51 113.62 1djo n ALA 3022Ca 0.00 -1.75 -0.21 0.00 0.00 0.00 0.00 53.44 51.48 1djo n ALA 3022Cb 0.29 -0.59 0.06 0.00 0.00 0.00 0.00 19.45 19.21 1djo n ALA 3022CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1djo s GLY 3023N -1.47 1.81 0.05 0.00 0.00 0.20 0.66 107.32 108.56 1djo s GLY 3023Ca 0.33 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.47 1djo s GLY 3023CO 0.12 -1.22 -0.08 0.00 0.00 0.00 0.00 173.10 171.92 1djo s ALA 3024N -2.81 0.61 0.41 3.20 0.00 0.41 -3.40 121.76 120.18 1djo s ALA 3024Ca 0.60 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1djo s ALA 3024Cb -0.08 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 1djo s ALA 3024CO 0.40 -0.04 0.12 0.20 0.00 0.00 0.00 175.76 176.43 1djo s GLY 3025N -1.72 2.38 0.17 0.00 0.00 -1.26 0.03 107.32 106.92 1djo s GLY 3025Ca -0.08 -2.17 -0.07 0.00 0.00 0.00 0.00 44.72 42.40 1djo s GLY 3025CO -0.00 -1.97 1.50 0.00 0.00 0.00 0.00 173.10 172.62 1djo h ALA 3026N 1.55 0.65 -2.68 3.20 0.00 -1.89 -3.47 119.26 116.62 1djo h ALA 3026Ca -0.43 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 53.76 1djo h ALA 3026Cb 1.25 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 1djo h ALA 3026CO 0.73 0.67 -0.51 -1.54 0.00 0.00 0.00 179.25 178.61 1djo s SER 3027N -6.88 0.33 0.52 0.00 1.04 -1.26 -5.03 113.70 102.42 1djo s SER 3027Ca -0.09 -1.37 0.34 0.00 0.48 0.00 0.00 55.95 55.31 1djo s SER 3027Cb 0.11 0.45 1.56 0.00 0.10 0.00 0.00 66.02 68.24 1djo s SER 3027CO 0.86 -0.94 2.02 0.00 0.98 0.00 0.00 173.24 176.17 1djo h ALA 3028N 2.48 1.00 -0.00 5.32 0.00 -1.91 -1.88 119.26 124.28 1djo h ALA 3028Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1djo h ALA 3028Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1djo h ALA 3028CO 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 179.25 179.51 1djo n ALA 3029N -2.02 2.88 -2.68 0.00 0.00 -1.26 -0.03 120.51 117.40 1djo n ALA 3029Ca -0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1djo n ALA 3029Cb 0.22 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1djo n ALA 3029CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1djo s ASN 3030N -2.95 6.17 0.00 0.00 -0.87 -0.71 -4.81 114.94 111.78 1djo s ASN 3030Ca 0.14 -0.70 0.13 0.00 -1.57 0.00 0.00 52.86 50.86 1djo s ASN 3030Cb 0.18 -2.50 0.02 0.00 -0.02 0.00 0.00 41.25 38.93 1djo s ASN 3030CO 0.60 -1.67 0.76 -1.54 -2.57 0.00 0.00 177.10 172.68 1djo n SER 3031N 8.67 1.53 0.00 -1.22 3.41 -1.26 -4.46 113.62 120.29 1djo n SER 3031Ca 0.01 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1djo n SER 3031Cb 0.48 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1djo n SER 3031CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djo n ALA 3032N 0.00 1.20 -2.70 7.33 0.00 -1.26 -4.44 120.51 120.64 1djo n ALA 3032Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1djo n ALA 3032Cb 0.27 0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.69 1djo n ALA 3032CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1djo s THR 3033N -1.20 5.04 0.34 0.00 2.01 -1.26 -5.04 115.64 115.53 1djo s THR 3033Ca 0.00 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.00 1djo s THR 3033Cb 0.00 -3.88 0.03 0.00 0.01 0.00 0.00 72.50 68.66 1djo s THR 3033CO 0.00 -0.38 0.67 -0.72 -0.69 0.00 0.00 174.62 173.49 1djo s TYR 3034N 1.62 0.31 -0.19 4.92 1.13 -1.26 -4.44 117.35 119.45 1djo s TYR 3034Ca 0.04 -0.81 -0.03 0.00 -1.41 0.00 0.00 57.07 54.86 1djo s TYR 3034Cb -0.21 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.17 1djo s TYR 3034CO 0.08 -1.34 -0.07 -0.65 -2.51 0.00 0.00 175.55 171.05 1djo s GLN 3035N -2.97 3.38 0.80 -3.49 1.11 0.10 -4.94 119.66 113.66 1djo s GLN 3035Ca 0.19 -0.64 -0.12 0.00 0.01 0.00 0.00 55.36 54.80 1djo s GLN 3035Cb -0.04 -2.88 0.07 0.00 -1.01 0.00 0.00 33.01 29.16 1djo s GLN 3035CO 0.12 -0.05 1.16 0.00 0.01 0.00 0.00 175.29 176.53 1djo s ALA 3036N 1.08 2.65 -1.24 6.09 0.00 -1.26 -0.44 121.76 128.64 1djo s ALA 3036Ca 0.01 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 1djo s ALA 3036Cb -0.15 -2.98 0.04 0.00 0.00 0.00 0.00 23.12 20.03 1djo s ALA 3036CO -0.01 -1.62 0.64 0.00 0.00 0.00 0.00 175.76 174.77 1djo n ALA 3037N -3.29 -2.55 -0.02 0.00 0.00 -0.11 -4.79 120.51 109.76 1djo n ALA 3037Ca 0.08 -0.53 0.02 0.00 0.00 0.00 0.00 53.44 53.01 1djo n ALA 3037Cb 0.60 -2.66 -0.07 0.00 0.00 0.00 0.00 19.45 17.32 1djo n ALA 3037CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1djo n LYS 3038N -4.91 0.95 -4.25 0.00 4.76 0.62 -4.82 118.16 110.52 1djo n LYS 3038Ca -0.13 -0.06 -0.35 0.00 -2.87 0.00 0.00 58.31 54.90 1djo n LYS 3038Cb 0.58 -1.22 -0.09 0.00 -1.84 0.00 0.00 35.03 32.46 1djo n LYS 3038CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1djo s VAL 3039N -2.52 4.53 0.51 -0.18 1.01 0.21 -5.01 120.40 118.94 1djo s VAL 3039Ca -0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1djo s VAL 3039Cb 0.05 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1djo s VAL 3039CO 0.38 0.58 0.88 -0.83 0.00 0.00 0.00 175.10 176.11 1djo s GLY 3040N -0.64 1.76 0.38 4.51 0.00 -1.26 -4.81 107.32 107.26 1djo s GLY 3040Ca 0.11 -0.19 0.14 0.00 0.00 0.00 0.00 44.72 44.78 1djo s GLY 3040CO 0.02 0.03 1.82 -0.24 0.00 0.00 0.00 173.10 174.73 1djo h VAL 3041N 0.42 0.67 -0.81 1.40 3.04 -1.95 -1.78 116.25 117.23 1djo h VAL 3041Ca -0.46 -0.17 -0.04 0.00 -1.01 0.00 0.00 66.70 65.01 1djo h VAL 3041Cb 1.19 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.55 1djo h VAL 3041CO 0.62 0.09 0.35 0.44 -1.01 0.00 0.00 177.57 178.06 1djo h ASP 3042N 0.51 1.10 -0.12 3.17 3.45 -1.93 -2.43 116.42 120.17 1djo h ASP 3042Ca 0.52 -0.16 -0.12 0.00 0.43 0.00 0.00 57.03 57.70 1djo h ASP 3042Cb 1.14 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 39.62 1djo h ASP 3042CO -0.25 0.96 -0.30 0.50 -1.57 0.00 0.00 179.24 178.58 1djo h LYS 3043N 1.18 0.60 -0.14 3.56 3.11 -1.71 -1.76 116.57 121.40 1djo h LYS 3043Ca 0.27 -0.26 -0.09 0.00 -2.81 0.00 0.00 60.65 57.77 1djo h LYS 3043Cb 0.18 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1djo h LYS 3043CO -0.03 0.84 -0.30 -0.07 -2.81 0.00 0.00 179.45 177.08 1djo h LEU 3044N 0.52 0.27 -0.06 5.20 3.38 -1.34 -1.69 115.31 121.58 1djo h LEU 3044Ca 0.06 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1djo h LEU 3044Cb 0.78 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1djo h LEU 3044CO 0.06 0.57 -0.34 0.40 0.09 0.00 0.00 178.44 179.22 1djo h ILE 3045N 0.24 1.43 0.00 1.22 2.04 -1.22 -3.16 117.51 118.06 1djo h ILE 3045Ca 0.03 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.12 1djo h ILE 3045Cb 0.65 2.36 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1djo h ILE 3045CO 0.05 0.51 -0.05 0.00 0.00 0.00 0.00 178.15 178.66 1djo h ALA 3046N 0.41 1.48 0.00 1.87 0.00 -1.18 -1.40 119.26 120.44 1djo h ALA 3046Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1djo h ALA 3046Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1djo h ALA 3046CO 0.07 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1djo n GLY 3047N -1.11 -1.25 2.63 0.00 0.00 -0.65 -4.08 105.19 100.73 1djo n GLY 3047Ca -0.03 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1djo n GLY 3047CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1djo n VAL 3048N -1.48 0.52 -0.27 1.61 0.31 -0.53 -4.98 118.33 113.52 1djo n VAL 3048Ca 0.06 -4.32 0.12 0.00 -0.01 0.00 0.00 64.34 60.19 1djo n VAL 3048Cb 0.25 -1.97 0.38 0.00 -0.91 0.00 0.00 33.84 31.59 1djo n VAL 3048CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1djo h PRO 3049N 5.28 0.67 0.00 5.55 0.11 -1.73 -2.13 132.00 139.74 1djo h PRO 3049Ca 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1djo h PRO 3049Cb 0.81 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1djo h PRO 3049CO 0.59 0.44 0.00 0.39 -0.21 0.00 0.00 178.00 179.21 1djo n GLU 3050N -4.56 0.10 -0.35 1.05 4.71 -1.26 -3.15 120.64 117.18 1djo n GLU 3050Ca 0.17 0.48 0.12 0.00 -0.01 0.00 0.00 57.16 57.92 1djo n GLU 3050Cb 0.47 -1.75 0.30 0.00 -1.01 0.00 0.00 31.44 29.45 1djo n GLU 3050CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1djo h LEU 3051N 0.00 0.78 -2.67 -4.62 4.07 -1.74 -0.13 115.31 111.00 1djo h LEU 3051Ca 0.00 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1djo h LEU 3051Cb 0.14 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1djo h LEU 3051CO 0.00 0.29 0.10 0.00 -1.08 0.00 0.00 178.44 177.75 1djo h ALA 3052N 1.63 1.10 0.00 1.53 0.00 -1.76 -0.32 119.26 121.43 1djo h ALA 3052Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1djo h ALA 3052Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1djo h ALA 3052CO -0.37 -0.10 -0.05 -0.44 0.00 0.00 0.00 179.25 178.29 1djo h ASP 3053N 0.00 0.00 0.04 0.00 3.32 -1.27 -3.35 116.42 115.16 1djo h ASP 3053Ca 0.00 -0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.68 1djo h ASP 3053Cb 0.20 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1djo h ASP 3053CO 0.00 0.00 -2.08 0.18 -1.72 0.00 0.00 179.24 175.62 1djo n LEU 3054N -2.68 2.46 -3.79 1.55 4.77 -0.15 -5.08 117.00 114.08 1djo n LEU 3054Ca 0.05 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1djo n LEU 3054Cb 0.48 -0.98 -0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1djo n LEU 3054CO 0.33 0.71 0.72 0.00 -1.33 0.00 0.00 177.39 177.82 1djo s ALA 3055N -2.50 -1.56 -0.58 -1.18 0.00 -1.13 -4.51 121.76 110.30 1djo s ALA 3055Ca -0.30 -0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 1djo s ALA 3055Cb 0.09 0.68 0.04 0.00 0.00 0.00 0.00 23.12 23.92 1djo s ALA 3055CO 0.64 -1.05 1.03 -0.80 0.00 0.00 0.00 175.76 175.58 1djo s ASN 3056N -3.05 6.34 -0.07 0.00 0.01 0.12 -4.46 114.94 113.83 1djo s ASN 3056Ca 0.15 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.02 1djo s ASN 3056Cb -0.02 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 1djo s ASN 3056CO 0.04 -1.35 -0.09 0.68 -1.51 0.00 0.00 177.10 174.87 1djo s VAL 3057N 4.33 3.55 -0.00 1.60 -7.23 -1.26 -1.48 120.40 119.90 1djo s VAL 3057Ca 0.33 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 60.00 1djo s VAL 3057Cb -0.11 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 1djo s VAL 3057CO 0.20 0.59 -0.09 0.00 -0.31 0.00 0.00 175.10 175.49 1djo s ARG 3058N -0.69 0.70 0.16 4.82 1.70 -1.10 -5.02 118.95 119.52 1djo s ARG 3058Ca 0.10 -0.35 0.05 0.00 -0.47 0.00 0.00 55.73 55.06 1djo s ARG 3058Cb -0.11 -0.67 -0.04 0.00 -0.57 0.00 0.00 34.95 33.56 1djo s ARG 3058CO 0.01 0.18 0.16 0.20 -1.08 0.00 0.00 175.30 174.78 1djo s GLY 3059N -0.30 1.72 -0.12 3.88 0.00 -1.26 -1.58 107.32 109.67 1djo s GLY 3059Ca 0.03 -1.18 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 1djo s GLY 3059CO -0.00 -1.18 0.24 1.85 0.00 0.00 0.00 173.10 174.01 1djo s GLU 3060N -3.12 0.14 -0.63 2.90 2.12 -0.20 -4.94 118.70 114.98 1djo s GLU 3060Ca 0.32 0.68 -0.23 0.00 0.36 0.00 0.00 54.97 56.09 1djo s GLU 3060Cb -0.10 -0.08 0.06 0.00 0.26 0.00 0.00 34.13 34.26 1djo s GLU 3060CO 0.24 -0.26 0.98 -1.14 -0.54 0.00 0.00 175.26 174.54 1djo s GLN 3061N 2.17 3.19 0.08 4.30 2.00 -1.26 -0.67 119.66 129.46 1djo s GLN 3061Ca -0.01 -0.58 -0.11 0.00 -2.00 0.00 0.00 55.36 52.66 1djo s GLN 3061Cb -0.12 -4.16 -0.23 0.00 0.80 0.00 0.00 33.01 29.30 1djo s GLN 3061CO -0.08 -1.72 1.18 0.28 -0.50 0.00 0.00 175.29 174.44 1djo h VAL 3062N 5.99 1.34 -2.36 1.34 2.07 -1.37 -3.48 116.25 119.78 1djo h VAL 3062Ca -0.28 -2.49 0.17 0.00 0.82 0.00 0.00 66.70 64.93 1djo h VAL 3062Cb 1.07 2.59 -0.08 0.00 -1.52 0.00 0.00 31.29 33.35 1djo h VAL 3062CO 1.16 0.75 0.48 0.00 0.02 0.00 0.00 177.57 179.97 1djo s MET 3063N -3.08 1.20 -0.40 1.57 0.00 -1.13 -5.04 119.30 112.43 1djo s MET 3063Ca -0.08 -0.66 0.01 0.00 0.00 0.00 0.00 55.69 54.96 1djo s MET 3063Cb 0.07 0.41 0.14 0.00 0.00 0.00 0.00 34.83 35.45 1djo s MET 3063CO 0.91 -0.55 0.24 -0.65 0.00 0.00 0.00 175.02 174.97 1djo s GLN 3064N -3.30 0.90 0.17 3.16 -1.52 -1.25 -3.48 119.66 114.34 1djo s GLN 3064Ca 0.12 -1.71 -0.00 0.00 -1.95 0.00 0.00 55.36 51.82 1djo s GLN 3064Cb -0.01 -1.73 -0.04 0.00 -0.22 0.00 0.00 33.01 31.00 1djo s GLN 3064CO 0.02 -1.22 0.06 0.96 -0.25 0.00 0.00 175.29 174.87 1djo s ILE 3065N 0.64 0.28 -0.17 1.08 -4.36 -0.63 -4.93 121.20 113.11 1djo s ILE 3065Ca 0.20 -1.96 -0.18 0.00 -0.26 0.00 0.00 60.65 58.45 1djo s ILE 3065Cb -0.20 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.25 1djo s ILE 3065CO -0.02 -0.32 0.51 0.00 0.24 0.00 0.00 174.94 175.35 1djo s ALA 3066N -3.94 3.52 0.60 2.27 0.00 -1.26 -1.30 121.76 121.65 1djo s ALA 3066Ca 0.29 -0.32 0.42 0.00 0.00 0.00 0.00 51.96 52.34 1djo s ALA 3066Cb 0.07 -2.77 2.28 0.00 0.00 0.00 0.00 23.12 22.70 1djo s ALA 3066CO 0.06 -0.30 2.28 0.66 0.00 0.00 0.00 175.76 178.46 1djo h SER 3067N 7.22 0.00 0.73 0.00 4.64 -1.91 -1.60 113.55 122.63 1djo h SER 3067Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1djo h SER 3067Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1djo h SER 3067CO 0.75 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 177.76 1djo h GLU 3068N 0.00 0.00 -0.48 4.77 9.09 -1.93 -2.67 114.58 123.37 1djo h GLU 3068Ca 0.00 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.22 1djo h GLU 3068Cb 0.06 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.04 1djo h GLU 3068CO 0.00 0.00 0.09 0.43 0.05 0.00 0.00 179.01 179.58 1djo n SER 3069N -2.60 3.28 -4.81 3.06 7.64 -0.60 -5.01 113.62 114.58 1djo n SER 3069Ca 0.01 -3.51 -0.33 0.00 1.01 0.00 0.00 58.87 56.05 1djo n SER 3069Cb 0.23 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 1djo n SER 3069CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1djo s ILE 3070N -3.13 4.16 0.44 0.44 2.07 -1.01 -4.96 121.20 119.22 1djo s ILE 3070Ca 0.47 1.36 0.06 0.00 -1.41 0.00 0.00 60.65 61.13 1djo s ILE 3070Cb 0.41 -3.55 -0.05 0.00 0.13 0.00 0.00 42.46 39.39 1djo s ILE 3070CO 0.05 -0.28 0.06 0.42 -1.91 0.00 0.00 174.94 173.28 1djo s THR 3071N -2.09 1.87 0.32 4.00 -4.23 -1.26 -5.03 115.64 109.22 1djo s THR 3071Ca 0.64 -1.91 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 1djo s THR 3071Cb -0.12 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 71.03 1djo s THR 3071CO 0.16 0.00 1.79 0.78 -0.54 0.00 0.00 174.62 176.81 1djo h ASN 3072N 1.56 0.33 0.29 3.99 4.21 -2.00 -2.43 115.58 121.53 1djo h ASN 3072Ca -0.43 -0.10 -0.09 0.00 1.21 0.00 0.00 56.30 56.89 1djo h ASN 3072Cb 1.26 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.36 1djo h ASN 3072CO 0.76 0.58 -0.37 0.44 -1.29 0.00 0.00 177.43 177.55 1djo h ASP 3073N 0.30 0.11 -0.26 5.81 3.32 -1.99 -1.96 116.42 121.74 1djo h ASP 3073Ca 0.05 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1djo h ASP 3073Cb 0.60 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1djo h ASP 3073CO 0.04 0.48 -0.01 0.44 -1.72 0.00 0.00 179.24 178.47 1djo h ASP 3074N 0.10 0.46 -0.53 6.45 3.45 -1.85 -0.65 116.42 123.85 1djo h ASP 3074Ca 0.01 -0.32 0.05 0.00 0.43 0.00 0.00 57.03 57.20 1djo h ASP 3074Cb 0.70 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 39.30 1djo h ASP 3074CO 0.05 0.67 0.27 -0.07 -1.57 0.00 0.00 179.24 178.59 1djo h LEU 3075N 0.25 0.38 -0.20 1.55 3.38 -1.17 -0.49 115.31 119.01 1djo h LEU 3075Ca 0.07 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1djo h LEU 3075Cb 0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1djo h LEU 3075CO 0.02 0.26 0.06 -0.07 0.09 0.00 0.00 178.44 178.80 1djo h LEU 3076N 0.52 0.29 -1.08 1.67 3.38 -1.23 0.39 115.31 119.24 1djo h LEU 3076Ca 0.24 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1djo h LEU 3076Cb 0.15 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1djo h LEU 3076CO -0.17 0.41 0.62 0.50 0.09 0.00 0.00 178.44 179.89 1djo h LYS 3077N 0.15 1.08 -0.11 1.13 3.11 -0.87 0.15 116.57 121.21 1djo h LYS 3077Ca 0.06 -0.07 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1djo h LYS 3077Cb 0.23 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1djo h LYS 3077CO -0.00 0.72 -0.24 1.25 -2.81 0.00 0.00 179.45 178.36 1djo h LEU 3078N 1.11 0.40 -0.57 5.20 6.46 -0.73 -2.55 115.31 124.65 1djo h LEU 3078Ca 0.41 -0.57 0.01 0.00 -0.12 0.00 0.00 57.88 57.61 1djo h LEU 3078Cb 0.17 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1djo h LEU 3078CO -0.16 0.90 0.37 1.23 -0.62 0.00 0.00 178.44 180.16 1djo h GLY 3079N -0.07 0.80 1.47 3.75 0.00 0.53 -1.10 103.07 108.45 1djo h GLY 3079Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 1djo h GLY 3079CO 0.05 0.27 -0.41 0.50 0.00 0.00 0.00 176.54 176.96 1djo h LYS 3080N 0.75 0.59 -0.11 4.80 1.57 -0.80 -1.91 116.57 121.45 1djo h LYS 3080Ca 0.21 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1djo h LYS 3080Cb -0.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1djo h LYS 3080CO -0.06 0.89 0.05 -0.09 -0.57 0.00 0.00 179.45 179.67 1djo h ARG 3081N 0.48 0.17 -0.85 3.15 9.65 -1.19 -2.03 114.38 123.77 1djo h ARG 3081Ca 0.04 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 1djo h ARG 3081Cb 0.91 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.40 1djo h ARG 3081CO 0.08 0.26 0.52 0.28 2.80 0.00 0.00 179.97 183.91 1djo h VAL 3082N 0.03 1.02 -0.95 0.20 2.07 -1.10 -1.83 116.25 115.69 1djo h VAL 3082Ca 0.04 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1djo h VAL 3082Cb 0.16 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.88 1djo h VAL 3082CO -0.00 0.17 0.63 0.00 0.02 0.00 0.00 177.57 178.39 1djo h ALA 3083N 1.41 1.23 -0.48 1.67 0.00 -1.00 -0.73 119.26 121.36 1djo h ALA 3083Ca 0.38 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1djo h ALA 3083Cb 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1djo h ALA 3083CO -0.18 0.56 0.10 0.93 0.00 0.00 0.00 179.25 180.66 1djo h GLU 3084N 1.26 0.77 -0.65 0.00 5.08 -0.63 -2.30 114.58 118.11 1djo h GLU 3084Ca 0.36 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1djo h GLU 3084Cb -0.09 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1djo h GLU 3084CO -0.10 0.77 0.10 -0.07 -1.00 0.00 0.00 179.01 178.72 1djo h LEU 3085N 0.65 1.02 -1.53 1.33 -0.00 -0.96 -2.38 115.31 113.44 1djo h LEU 3085Ca 0.15 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.88 57.75 1djo h LEU 3085Cb 0.35 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1djo h LEU 3085CO 0.00 1.02 -0.17 0.00 -0.00 0.00 0.00 178.44 179.30 1djo h ALA 3086N 1.10 1.13 0.00 1.53 0.00 -1.00 -2.12 119.26 119.90 1djo h ALA 3086Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1djo h ALA 3086Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1djo h ALA 3086CO 0.01 0.21 0.00 -0.44 0.00 0.00 0.00 179.25 179.03 1djo h ASP 3087N 0.00 0.00 -3.24 0.00 3.45 -0.89 -3.44 116.42 112.29 1djo h ASP 3087Ca -0.00 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.88 1djo h ASP 3087Cb 0.54 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.24 1djo h ASP 3087CO 0.02 0.00 0.53 -0.55 -1.57 0.00 0.00 179.24 177.67 1djo s SER 3088N -5.09 6.97 0.26 6.45 0.15 -0.80 -4.91 113.70 116.73 1djo s SER 3088Ca 0.09 1.21 0.18 0.00 0.70 0.00 0.00 55.95 58.12 1djo s SER 3088Cb 0.10 -2.48 0.95 0.00 -1.71 0.00 0.00 66.02 62.88 1djo s SER 3088CO 0.61 -0.51 1.55 0.59 1.20 0.00 0.00 173.24 176.68 1djo n ASN 3089N 5.72 0.46 -0.70 5.45 4.13 -1.26 -1.13 115.26 127.94 1djo n ASN 3089Ca 0.07 0.71 0.10 0.00 1.68 0.00 0.00 54.58 57.13 1djo n ASN 3089Cb 0.48 -0.77 0.30 0.00 -1.54 0.00 0.00 39.78 38.24 1djo n ASN 3089CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1djo n ASP 3090N -2.11 2.06 -4.14 6.41 8.00 -1.26 -4.80 116.55 120.71 1djo n ASP 3090Ca -0.01 -1.83 -0.33 0.00 0.71 0.00 0.00 54.79 53.33 1djo n ASP 3090Cb 0.05 -0.17 -0.16 0.00 -0.02 0.00 0.00 41.12 40.81 1djo n ASP 3090CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1djo s VAL 3091N -1.65 2.17 -0.20 2.53 1.01 -0.28 -4.77 120.40 119.21 1djo s VAL 3091Ca 0.32 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1djo s VAL 3091Cb 0.17 -1.91 -0.21 0.00 0.00 0.00 0.00 36.38 34.43 1djo s VAL 3091CO 0.25 0.53 0.02 0.47 0.00 0.00 0.00 175.10 176.37 1djo n ASP 3092N 4.55 1.93 -4.08 3.32 8.00 0.26 -4.89 116.55 125.64 1djo n ASP 3092Ca -0.21 0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.23 1djo n ASP 3092Cb 0.50 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.99 1djo n ASP 3092CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1djo s GLY 3093N -6.10 0.46 -0.05 0.44 0.00 -0.96 -4.19 107.32 96.91 1djo s GLY 3093Ca -0.29 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.26 1djo s GLY 3093CO 0.68 -1.30 -0.06 -0.42 0.00 0.00 0.00 173.10 172.00 1djo s ILE 3094N -3.92 0.65 -0.06 0.90 1.01 -0.31 -1.60 121.20 117.88 1djo s ILE 3094Ca 0.07 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1djo s ILE 3094Cb 0.08 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 1djo s ILE 3094CO -0.10 0.25 -0.20 -0.69 0.00 0.00 0.00 174.94 174.20 1djo s VAL 3095N 0.90 1.69 -0.13 2.92 1.01 -0.05 -0.35 120.40 126.40 1djo s VAL 3095Ca -0.11 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1djo s VAL 3095Cb -0.15 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1djo s VAL 3095CO 0.01 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 174.79 1djo s ILE 3096N 0.05 1.67 -0.10 2.22 1.01 0.71 -0.02 121.20 126.74 1djo s ILE 3096Ca -0.06 -0.73 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 1djo s ILE 3096Cb -0.13 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1djo s ILE 3096CO 0.04 0.47 0.55 0.42 0.00 0.00 0.00 174.94 176.42 1djo s THR 3097N 1.06 5.14 -0.08 2.92 -4.23 -0.74 -0.64 115.64 119.08 1djo s THR 3097Ca -0.04 1.11 -0.08 0.00 -1.18 0.00 0.00 61.69 61.51 1djo s THR 3097Cb -0.15 -3.89 0.02 0.00 1.34 0.00 0.00 72.50 69.83 1djo s THR 3097CO -0.04 0.30 0.22 -2.28 -0.54 0.00 0.00 174.62 172.28 1djo s HIS 3098N 0.72 -0.24 0.38 3.99 5.04 0.51 -2.02 115.29 123.67 1djo s HIS 3098Ca 0.30 0.59 -0.26 0.00 -1.54 0.00 0.00 55.06 54.15 1djo s HIS 3098Cb -0.16 0.08 -0.12 0.00 0.04 0.00 0.00 32.58 32.43 1djo s HIS 3098CO 0.13 -0.12 1.09 0.41 -2.34 0.00 0.00 174.74 173.91 1djo n GLY 3099N 2.95 0.02 0.24 1.59 0.00 -1.26 -4.13 105.19 104.60 1djo n GLY 3099Ca -0.13 0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.27 1djo n GLY 3099CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1djo h THR 3100N 1.89 0.00 -1.00 2.61 1.35 -1.94 -3.05 112.91 112.77 1djo h THR 3100Ca -0.44 -0.61 0.03 0.00 -0.55 0.00 0.00 66.41 64.84 1djo h THR 3100Cb 1.32 1.58 -0.06 0.00 -1.73 0.00 0.00 68.15 69.27 1djo h THR 3100CO 0.59 0.00 0.66 0.44 -0.25 0.00 0.00 175.52 176.96 1djo h ASP 3101N 0.00 1.11 0.00 5.36 3.45 -1.92 -3.13 116.42 121.29 1djo h ASP 3101Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1djo h ASP 3101Cb 0.64 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1djo h ASP 3101CO 0.00 0.77 -0.03 0.35 -1.57 0.00 0.00 179.24 178.76 1djo n THR 3102N -4.43 1.27 -0.31 0.35 -2.24 -1.25 -4.76 114.28 102.91 1djo n THR 3102Ca 0.13 -1.44 0.06 0.00 -2.27 0.00 0.00 64.05 60.53 1djo n THR 3102Cb 0.08 0.21 0.21 0.00 -2.10 0.00 0.00 70.33 68.73 1djo n THR 3102CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1djo h LEU 3103N 0.00 0.70 -2.07 3.22 6.46 -1.47 0.71 115.31 122.86 1djo h LEU 3103Ca 0.00 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1djo h LEU 3103Cb 0.79 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1djo h LEU 3103CO 0.00 0.35 -0.05 1.05 -0.62 0.00 0.00 178.44 179.17 1djo h GLU 3104N 0.79 0.00 0.00 1.25 4.11 -1.86 0.34 114.58 119.21 1djo h GLU 3104Ca 0.45 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.85 1djo h GLU 3104Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1djo h GLU 3104CO -0.29 0.05 -0.13 0.93 0.07 0.00 0.00 179.01 179.64 1djo h GLU 3105N 0.00 0.08 -0.56 1.06 5.08 -1.24 -3.03 114.58 115.98 1djo h GLU 3105Ca -0.00 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1djo h GLU 3105Cb 0.10 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1djo h GLU 3105CO 0.01 0.89 0.06 1.15 -1.00 0.00 0.00 179.01 180.12 1djo h THR 3106N -0.69 1.26 -0.95 1.13 2.02 -1.02 -1.83 112.91 112.82 1djo h THR 3106Ca -0.02 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 66.15 1djo h THR 3106Cb 0.94 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 1djo h THR 3106CO 0.03 0.37 0.63 0.00 0.37 0.00 0.00 175.52 176.91 1djo h ALA 3107N 0.99 1.21 -0.27 6.16 0.00 -1.06 -1.51 119.26 124.78 1djo h ALA 3107Ca 0.17 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1djo h ALA 3107Cb 0.45 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1djo h ALA 3107CO 0.02 0.61 -0.47 -0.92 0.00 0.00 0.00 179.25 178.49 1djo h TYR 3108N 1.30 0.88 0.23 0.00 3.20 -1.39 -2.35 116.97 118.83 1djo h TYR 3108Ca 0.35 -0.28 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1djo h TYR 3108Cb -0.15 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1djo h TYR 3108CO -0.00 1.05 -0.26 0.35 -1.64 0.00 0.00 178.16 177.66 1djo h PHE 3109N 0.57 -0.70 -0.74 -3.82 3.57 -0.76 -2.23 116.94 112.84 1djo h PHE 3109Ca 0.03 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1djo h PHE 3109Cb 1.03 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 1djo h PHE 3109CO 0.05 -0.38 0.49 -0.07 -2.23 0.00 0.00 178.31 176.17 1djo h LEU 3110N -0.53 0.71 -2.12 0.59 3.38 -1.27 -1.03 115.31 115.03 1djo h LEU 3110Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1djo h LEU 3110Cb 0.51 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1djo h LEU 3110CO -0.08 0.46 -0.07 -1.13 0.09 0.00 0.00 178.44 177.71 1djo h ASN 3111N 0.81 0.00 0.43 -0.43 -1.24 -0.84 -2.18 115.58 112.12 1djo h ASN 3111Ca 0.32 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 57.05 1djo h ASN 3111Cb 0.22 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.22 1djo h ASN 3111CO -0.10 0.07 -1.78 0.18 -1.29 0.00 0.00 177.43 174.50 1djo n LEU 3112N -3.89 0.68 -0.17 0.34 4.77 -0.42 -0.88 117.00 117.43 1djo n LEU 3112Ca -0.02 0.32 0.04 0.00 -0.03 0.00 0.00 56.01 56.31 1djo n LEU 3112Cb 0.16 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1djo n LEU 3112CO 0.30 0.35 0.20 1.33 -1.33 0.00 0.00 177.39 178.24 1djo n VAL 3113N -2.94 0.00 -3.14 4.08 0.24 -1.03 -4.35 118.33 111.19 1djo n VAL 3113Ca -0.18 -0.43 -0.45 0.00 -2.04 0.00 0.00 64.34 61.25 1djo n VAL 3113Cb 1.02 1.09 -0.05 0.00 -1.47 0.00 0.00 33.84 34.43 1djo n VAL 3113CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1djo s GLN 3114N -1.09 3.05 -1.42 7.34 -1.52 -0.83 -1.72 119.66 123.46 1djo s GLN 3114Ca 0.06 -1.27 -0.13 0.00 -1.95 0.00 0.00 55.36 52.07 1djo s GLN 3114Cb 0.06 -4.23 0.07 0.00 -0.22 0.00 0.00 33.01 28.68 1djo s GLN 3114CO 0.18 -1.45 2.15 1.63 -0.25 0.00 0.00 175.29 177.55 1djo n LYS 3115N 6.20 3.01 -3.74 2.91 4.76 -1.26 -3.94 118.16 126.10 1djo n LYS 3115Ca -0.09 -2.80 -0.14 0.00 -2.87 0.00 0.00 58.31 52.41 1djo n LYS 3115Cb 0.43 -3.22 -0.08 0.00 -1.84 0.00 0.00 35.03 30.31 1djo n LYS 3115CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1djo s THR 3116N 2.66 0.05 -2.92 -0.18 -1.32 -1.26 -4.74 115.64 107.93 1djo s THR 3116Ca 0.46 -0.42 0.24 0.00 -1.21 0.00 0.00 61.69 60.76 1djo s THR 3116Cb 0.13 -0.65 0.24 0.00 -1.51 0.00 0.00 72.50 70.71 1djo s THR 3116CO -0.07 -0.23 1.33 -0.90 -2.21 0.00 0.00 174.62 172.54 1djo n ASP 3117N 1.26 2.82 -4.77 8.08 5.75 -1.26 -4.00 116.55 124.44 1djo n ASP 3117Ca -0.21 -1.94 -0.38 0.00 -0.01 0.00 0.00 54.79 52.25 1djo n ASP 3117Cb 0.56 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.62 1djo n ASP 3117CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1djo s LYS 3118N -1.98 4.01 0.19 0.11 1.02 -1.26 -1.72 119.74 120.11 1djo s LYS 3118Ca 0.30 1.82 -0.31 0.00 0.02 0.00 0.00 55.97 57.79 1djo s LYS 3118Cb 0.20 -2.63 -0.11 0.00 -0.52 0.00 0.00 37.83 34.77 1djo s LYS 3118CO 0.30 -0.35 1.59 -2.14 -0.92 0.00 0.00 175.35 173.84 1djo s PRO 3119N -2.36 4.19 -0.21 -1.68 0.02 -1.26 -4.85 135.00 128.85 1djo s PRO 3119Ca 0.58 2.42 0.02 0.00 0.02 0.00 0.00 61.00 64.04 1djo s PRO 3119Cb -0.30 -3.13 0.04 0.00 0.02 0.00 0.00 34.50 31.13 1djo s PRO 3119CO 0.38 -0.63 -0.13 0.42 -0.33 0.00 0.00 177.00 176.71 1djo s ILE 3120N 1.01 1.93 -0.11 2.83 1.01 -1.26 -1.16 121.20 125.45 1djo s ILE 3120Ca 0.70 -1.17 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1djo s ILE 3120Cb -0.45 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 1djo s ILE 3120CO 0.33 0.23 -0.22 -0.69 0.00 0.00 0.00 174.94 174.59 1djo s VAL 3121N 1.28 2.27 -0.12 2.92 1.01 0.53 -0.95 120.40 127.33 1djo s VAL 3121Ca -0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1djo s VAL 3121Cb -0.16 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1djo s VAL 3121CO -0.09 0.55 -0.02 -0.69 0.00 0.00 0.00 175.10 174.85 1djo s VAL 3122N 0.36 4.08 0.05 2.92 1.01 0.42 -0.20 120.40 129.03 1djo s VAL 3122Ca -0.17 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1djo s VAL 3122Cb -0.17 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 1djo s VAL 3122CO 0.08 0.55 0.17 0.54 0.00 0.00 0.00 175.10 176.44 1djo s VAL 3123N -0.25 0.12 0.08 2.92 0.11 0.19 -3.12 120.40 120.45 1djo s VAL 3123Ca 0.05 -1.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.07 1djo s VAL 3123Cb -0.13 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1djo s VAL 3123CO 0.02 -0.55 0.18 0.61 -3.33 0.00 0.00 175.10 172.03 1djo n GLY 3124N 0.58 1.67 3.10 6.54 0.00 -1.26 -0.36 105.19 115.46 1djo n GLY 3124Ca -0.18 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 1djo n GLY 3124CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1djo s SER 3125N -1.45 0.09 0.20 1.61 1.04 -1.26 -4.85 113.70 109.08 1djo s SER 3125Ca 0.04 -0.33 0.14 0.00 0.48 0.00 0.00 55.95 56.28 1djo s SER 3125Cb -0.01 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1djo s SER 3125CO 0.02 -0.40 1.27 0.24 0.98 0.00 0.00 173.24 175.35 1djo h MET 3126N 4.13 0.00 -6.31 4.02 2.86 -1.92 -3.38 114.93 114.33 1djo h MET 3126Ca -0.31 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.65 1djo h MET 3126Cb 1.19 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.68 1djo h MET 3126CO 0.43 0.55 -0.71 1.03 1.06 0.00 0.00 176.91 179.28 1djo s ARG 3127N -2.90 2.52 0.67 1.72 0.52 -1.26 -4.80 118.95 115.42 1djo s ARG 3127Ca 0.02 -0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.34 1djo s ARG 3127Cb 0.08 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 33.07 1djo s ARG 3127CO 0.77 0.60 1.11 -1.25 0.02 0.00 0.00 175.30 176.55 1djo s PRO 3128N -1.45 2.75 0.10 3.54 0.04 -1.26 -4.54 135.00 134.18 1djo s PRO 3128Ca 0.17 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.68 1djo s PRO 3128Cb -0.11 -1.94 0.40 0.00 0.04 0.00 0.00 34.50 32.88 1djo s PRO 3128CO 0.08 -1.29 1.24 0.41 0.04 0.00 0.00 177.00 177.47 1djo n GLY 3129N -0.52 -0.66 0.00 0.56 0.00 -1.22 -1.86 105.19 101.50 1djo n GLY 3129Ca 0.10 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1djo n GLY 3129CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1djo n THR 3130N -1.73 0.02 -2.20 2.61 -2.24 -1.26 -4.92 114.28 104.55 1djo n THR 3130Ca -0.00 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1djo n THR 3130Cb 0.03 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1djo n THR 3130CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djo s ALA 3131N -3.01 3.00 0.32 6.98 0.00 -0.78 -4.08 121.76 124.19 1djo s ALA 3131Ca 0.10 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 1djo s ALA 3131Cb 0.17 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 1djo s ALA 3131CO 0.75 -0.46 1.03 0.00 0.00 0.00 0.00 175.76 177.08 1djo s MET 3132N -4.31 4.52 -1.38 0.00 0.23 0.96 -3.05 119.30 116.28 1djo s MET 3132Ca 0.59 1.57 -0.02 0.00 -1.03 0.00 0.00 55.69 56.80 1djo s MET 3132Cb -0.11 -2.94 0.00 0.00 -1.53 0.00 0.00 34.83 30.25 1djo s MET 3132CO 0.37 0.17 0.24 0.43 -2.03 0.00 0.00 175.02 174.21 1djo n SER 3133N 0.74 -5.17 -4.78 -1.18 7.64 -1.26 -4.95 113.62 104.66 1djo n SER 3133Ca 0.01 -0.12 -0.41 0.00 1.01 0.00 0.00 58.87 59.36 1djo n SER 3133Cb 0.48 -4.15 -0.00 0.00 -1.01 0.00 0.00 64.21 59.53 1djo n SER 3133CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1djo s ALA 3134N -2.96 3.58 -1.30 -0.43 0.00 -1.17 -4.92 121.76 114.57 1djo s ALA 3134Ca 0.12 1.57 0.26 0.00 0.00 0.00 0.00 51.96 53.91 1djo s ALA 3134Cb -0.05 -3.61 0.70 0.00 0.00 0.00 0.00 23.12 20.15 1djo s ALA 3134CO 0.15 -1.05 1.54 -0.40 0.00 0.00 0.00 175.76 176.00 1djo n ASP 3135N 0.57 0.63 -0.27 0.00 5.75 -1.26 -4.47 116.55 117.50 1djo n ASP 3135Ca 0.01 -0.44 -0.06 0.00 -0.01 0.00 0.00 54.79 54.30 1djo n ASP 3135Cb 0.39 0.14 0.06 0.00 -1.03 0.00 0.00 41.12 40.68 1djo n ASP 3135CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1djo h GLY 3136N 4.97 1.16 0.98 6.12 0.00 -1.89 -2.74 103.07 111.67 1djo h GLY 3136Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1djo h GLY 3136CO 0.00 0.54 -0.08 -0.33 0.00 0.00 0.00 176.54 176.67 1djo h MET 3137N 1.06 -0.20 -0.27 4.80 2.86 -1.96 -1.37 114.93 119.83 1djo h MET 3137Ca 0.26 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.79 1djo h MET 3137Cb 0.10 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1djo h MET 3137CO -0.03 -0.14 -0.34 1.25 1.06 0.00 0.00 176.91 178.71 1djo h LEU 3138N -0.21 0.62 -0.53 1.22 5.85 -1.87 -1.68 115.31 118.70 1djo h LEU 3138Ca -0.02 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1djo h LEU 3138Cb 0.17 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1djo h LEU 3138CO 0.02 0.91 0.35 0.78 -0.34 0.00 0.00 178.44 180.17 1djo h ASN 3139N 0.50 0.61 -0.18 1.25 2.35 -1.30 0.10 115.58 118.91 1djo h ASN 3139Ca 0.06 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1djo h ASN 3139Cb 0.83 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1djo h ASN 3139CO 0.07 0.44 0.04 0.25 -1.65 0.00 0.00 177.43 176.58 1djo h LEU 3140N 0.72 0.28 -0.44 1.61 6.46 -1.11 0.32 115.31 123.16 1djo h LEU 3140Ca 0.20 -0.24 0.08 0.00 -0.12 0.00 0.00 57.88 57.79 1djo h LEU 3140Cb -0.08 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 39.71 1djo h LEU 3140CO -0.04 0.45 0.06 0.22 -0.62 0.00 0.00 178.44 178.51 1djo h TYR 3141N 0.10 0.09 -0.17 1.25 3.20 -1.00 -0.39 116.97 120.05 1djo h TYR 3141Ca 0.06 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1djo h TYR 3141Cb 0.28 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1djo h TYR 3141CO 0.01 -0.03 -0.27 -0.91 -1.64 0.00 0.00 178.16 175.33 1djo h ASN 3142N 0.19 0.32 -0.44 -2.11 2.35 -0.62 -0.94 115.58 114.33 1djo h ASN 3142Ca 0.22 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1djo h ASN 3142Cb 0.29 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1djo h ASN 3142CO -0.31 0.59 0.21 0.00 -1.65 0.00 0.00 177.43 176.27 1djo h ALA 3143N 1.43 0.57 -0.34 -0.83 0.00 0.46 -1.36 119.26 119.20 1djo h ALA 3143Ca 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1djo h ALA 3143Cb 0.63 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1djo h ALA 3143CO 0.05 0.14 -0.14 0.28 0.00 0.00 0.00 179.25 179.57 1djo h VAL 3144N 0.57 1.29 -0.90 0.00 2.07 -0.85 -1.45 116.25 116.98 1djo h VAL 3144Ca 0.15 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.54 1djo h VAL 3144Cb 0.13 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 1djo h VAL 3144CO -0.02 0.41 0.53 0.00 0.02 0.00 0.00 177.57 178.51 1djo h ALA 3145N 0.79 1.32 -0.07 1.67 0.00 -0.99 0.10 119.26 122.08 1djo h ALA 3145Ca 0.08 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 1djo h ALA 3145Cb 0.67 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1djo h ALA 3145CO 0.05 0.12 -0.86 0.28 0.00 0.00 0.00 179.25 178.84 1djo h VAL 3146N 0.84 1.30 0.00 0.00 2.07 -1.12 -2.96 116.25 116.38 1djo h VAL 3146Ca 0.45 -2.08 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 1djo h VAL 3146Cb 0.45 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1djo h VAL 3146CO -0.27 0.65 -0.22 0.00 0.02 0.00 0.00 177.57 177.75 1djo h ALA 3147N 0.46 1.52 0.00 1.67 0.00 -0.68 -2.34 119.26 119.89 1djo h ALA 3147Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1djo h ALA 3147Cb 1.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1djo h ALA 3147CO 0.17 0.27 -0.14 0.77 0.00 0.00 0.00 179.25 180.32 1djo h SER 3148N 0.00 0.00 -3.59 0.00 0.02 -0.98 -3.38 113.55 105.61 1djo h SER 3148Ca -0.00 -0.04 -0.51 0.00 -0.84 0.00 0.00 61.79 60.40 1djo h SER 3148Cb 0.42 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1djo h SER 3148CO 0.03 0.02 0.37 0.21 -1.14 0.00 0.00 176.83 176.32 1djo s ASN 3149N -4.81 7.49 0.31 3.07 3.84 -0.88 -4.85 114.94 119.11 1djo s ASN 3149Ca 0.09 1.84 0.07 0.00 0.21 0.00 0.00 52.86 55.07 1djo s ASN 3149Cb 0.11 -2.59 0.51 0.00 -0.55 0.00 0.00 41.25 38.73 1djo s ASN 3149CO 0.64 -0.05 1.73 0.50 -2.79 0.00 0.00 177.10 177.13 1djo h LYS 3150N 5.34 0.23 0.00 0.43 1.63 -1.89 -2.77 116.57 119.55 1djo h LYS 3150Ca -0.43 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1djo h LYS 3150Cb 1.21 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1djo h LYS 3150CO 0.71 0.58 0.00 -0.25 -3.45 0.00 0.00 179.45 177.04 1djo n ASP 3151N -4.06 0.00 0.08 4.20 8.00 -1.26 -2.39 116.55 121.11 1djo n ASP 3151Ca -0.01 0.42 0.13 0.00 0.71 0.00 0.00 54.79 56.03 1djo n ASP 3151Cb 0.45 -0.46 0.35 0.00 -0.02 0.00 0.00 41.12 41.43 1djo n ASP 3151CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1djo n SER 3152N -1.46 0.68 -4.76 -2.24 7.64 -1.04 -4.88 113.62 107.56 1djo n SER 3152Ca 0.04 0.39 -0.38 0.00 1.01 0.00 0.00 58.87 59.93 1djo n SER 3152Cb 0.16 -0.43 0.01 0.00 -1.01 0.00 0.00 64.21 62.94 1djo n SER 3152CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1djo s ARG 3153N -3.11 3.58 -0.83 1.43 0.52 -1.01 -3.24 118.95 116.30 1djo s ARG 3153Ca 0.10 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 1djo s ARG 3153Cb 0.14 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1djo s ARG 3153CO 0.63 -0.75 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1djo n GLY 3154N 0.57 0.93 0.77 -3.53 0.00 -0.70 -4.87 105.19 98.36 1djo n GLY 3154Ca 0.08 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1djo n GLY 3154CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1djo n LYS 3155N -1.95 1.85 0.00 1.61 4.76 -1.20 -5.03 118.16 118.21 1djo n LYS 3155Ca -0.08 -1.60 0.00 0.00 -2.87 0.00 0.00 58.31 53.76 1djo n LYS 3155Cb 0.36 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 1djo n LYS 3155CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1djo n GLY 3156N 1.23 -2.45 3.75 0.72 0.00 -1.26 -4.81 105.19 102.37 1djo n GLY 3156Ca 0.12 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 1djo n GLY 3156CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djo s VAL 3157N -0.62 3.00 0.21 1.61 1.01 -1.26 -4.58 120.40 119.77 1djo s VAL 3157Ca 0.00 0.92 0.11 0.00 0.00 0.00 0.00 61.98 63.01 1djo s VAL 3157Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1djo s VAL 3157CO 0.00 0.18 -0.22 -0.76 0.00 0.00 0.00 175.10 174.31 1djo s LEU 3158N -1.02 2.48 -0.06 3.92 1.43 -0.13 -1.15 118.68 124.15 1djo s LEU 3158Ca 0.52 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1djo s LEU 3158Cb -0.38 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1djo s LEU 3158CO 0.45 0.06 -0.10 0.54 0.23 0.00 0.00 176.35 177.53 1djo s VAL 3159N -2.00 0.99 -0.33 -1.59 0.11 0.19 -0.44 120.40 117.33 1djo s VAL 3159Ca 0.22 -0.38 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1djo s VAL 3159Cb -0.06 -0.93 0.09 0.00 -1.53 0.00 0.00 36.38 33.95 1djo s VAL 3159CO 0.10 0.33 0.03 0.42 -3.33 0.00 0.00 175.10 172.65 1djo s THR 3160N 0.80 2.43 -0.00 5.04 -4.23 -1.18 -0.57 115.64 117.92 1djo s THR 3160Ca -0.12 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 58.19 1djo s THR 3160Cb -0.15 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 71.04 1djo s THR 3160CO 0.02 -0.44 0.26 -0.04 -0.54 0.00 0.00 174.62 173.88 1djo s MET 3161N 1.00 0.63 -1.55 3.99 -1.94 -1.16 -4.71 119.30 115.56 1djo s MET 3161Ca 0.05 -0.29 -0.05 0.00 -1.71 0.00 0.00 55.69 53.68 1djo s MET 3161Cb -0.20 0.27 0.01 0.00 2.01 0.00 0.00 34.83 36.92 1djo s MET 3161CO -0.06 -0.17 0.66 -1.71 -0.01 0.00 0.00 175.02 173.73 1djo n ASN 3162N 1.24 -6.21 -0.46 3.03 5.15 -1.26 -1.79 115.26 114.96 1djo n ASN 3162Ca -0.22 -0.31 -0.06 0.00 -0.60 0.00 0.00 54.58 53.39 1djo n ASN 3162Cb 0.56 -5.00 -0.03 0.00 -0.53 0.00 0.00 39.78 34.78 1djo n ASN 3162CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1djo n ASP 3163N -2.58 -5.01 -4.67 1.20 10.43 -1.26 -4.99 116.55 109.67 1djo n ASP 3163Ca -0.10 0.15 -0.23 0.00 2.57 0.00 0.00 54.79 57.17 1djo n ASP 3163Cb 0.62 -3.04 -0.07 0.00 1.84 0.00 0.00 41.12 40.47 1djo n ASP 3163CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1djo s GLU 3164N -2.17 2.34 -0.31 -1.24 2.02 -0.74 -1.71 118.70 116.89 1djo s GLU 3164Ca 0.00 -1.43 -0.02 0.00 0.02 0.00 0.00 54.97 53.55 1djo s GLU 3164Cb 0.00 -2.18 0.06 0.00 0.10 0.00 0.00 34.13 32.11 1djo s GLU 3164CO 0.00 0.31 0.02 0.42 0.02 0.00 0.00 175.26 176.04 1djo s ILE 3165N -2.34 2.98 0.11 -1.63 1.01 0.27 -2.99 121.20 118.62 1djo s ILE 3165Ca 0.33 -1.50 0.06 0.00 0.00 0.00 0.00 60.65 59.53 1djo s ILE 3165Cb -0.06 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1djo s ILE 3165CO 0.21 -0.19 -0.01 -1.10 0.00 0.00 0.00 174.94 173.85 1djo s GLN 3166N 1.22 2.47 -0.00 2.79 -1.52 0.26 -0.84 119.66 124.05 1djo s GLN 3166Ca -0.03 -0.92 -0.30 0.00 -1.95 0.00 0.00 55.36 52.16 1djo s GLN 3166Cb -0.20 -2.47 -0.03 0.00 -0.22 0.00 0.00 33.01 30.08 1djo s GLN 3166CO -0.02 0.52 0.97 0.45 -0.25 0.00 0.00 175.29 176.96 1djo s SER 3167N -2.44 7.36 0.57 5.90 0.15 -1.26 -0.63 113.70 123.34 1djo s SER 3167Ca 0.26 1.64 0.38 0.00 0.70 0.00 0.00 55.95 58.93 1djo s SER 3167Cb -0.11 -2.56 1.93 0.00 -1.71 0.00 0.00 66.02 63.57 1djo s SER 3167CO 0.18 -0.25 2.15 1.23 1.20 0.00 0.00 173.24 177.75 1djo h GLY 3168N 6.77 0.00 0.90 9.45 0.00 -1.44 -2.53 103.07 116.21 1djo h GLY 3168Ca -0.41 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1djo h GLY 3168CO 0.75 0.00 -0.35 -0.09 0.00 0.00 0.00 176.54 176.84 1djo h ARG 3169N 0.00 -0.96 -0.12 4.80 2.43 -1.84 -3.17 114.38 115.52 1djo h ARG 3169Ca 0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1djo h ARG 3169Cb 0.15 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1djo h ARG 3169CO 0.00 -0.62 0.00 -0.40 -1.51 0.00 0.00 179.97 177.44 1djo n ASP 3170N -5.48 2.35 -4.77 -3.80 3.85 -1.20 -4.84 116.55 102.65 1djo n ASP 3170Ca -0.14 -2.04 -0.38 0.00 -0.71 0.00 0.00 54.79 51.52 1djo n ASP 3170Cb 0.41 -0.10 -0.05 0.00 -1.35 0.00 0.00 41.12 40.03 1djo n ASP 3170CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1djo s VAL 3171N -1.08 3.77 -0.02 2.12 0.11 -0.96 -4.39 120.40 119.95 1djo s VAL 3171Ca 0.09 1.48 -0.08 0.00 -2.93 0.00 0.00 61.98 60.55 1djo s VAL 3171Cb 0.05 -3.83 0.01 0.00 -1.53 0.00 0.00 36.38 31.08 1djo s VAL 3171CO 0.05 0.13 0.17 -0.55 -3.33 0.00 0.00 175.10 171.57 1djo s SER 3172N -1.40 -0.06 -0.48 3.54 0.15 0.28 -4.76 113.70 110.96 1djo s SER 3172Ca 0.53 0.01 -0.28 0.00 0.70 0.00 0.00 55.95 56.91 1djo s SER 3172Cb -0.24 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 1djo s SER 3172CO 0.30 -0.27 1.67 -0.75 1.20 0.00 0.00 173.24 175.38 1djo s LYS 3173N -0.89 3.15 -0.04 5.44 2.20 -1.26 -1.70 119.74 126.64 1djo s LYS 3173Ca -0.10 0.87 0.12 0.00 -0.36 0.00 0.00 55.97 56.51 1djo s LYS 3173Cb -0.05 -4.21 -0.18 0.00 -1.51 0.00 0.00 37.83 31.87 1djo s LYS 3173CO 0.01 -2.10 0.22 0.43 -0.36 0.00 0.00 175.35 173.56 1djo n SER 3174N 10.64 2.13 -4.12 1.43 7.64 0.70 -4.98 113.62 127.06 1djo n SER 3174Ca 0.19 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.79 1djo n SER 3174Cb 0.49 1.39 -0.17 0.00 -1.01 0.00 0.00 64.21 64.92 1djo n SER 3174CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1djo s ILE 3175N -2.74 1.52 0.45 0.44 1.01 -0.78 -5.07 121.20 116.04 1djo s ILE 3175Ca -0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 1djo s ILE 3175Cb 0.07 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1djo s ILE 3175CO 0.51 0.44 0.76 0.20 0.00 0.00 0.00 174.94 176.85 1djo s ASN 3176N 0.36 6.33 0.00 3.58 0.01 -1.26 -4.27 114.94 119.69 1djo s ASN 3176Ca -0.12 0.94 0.00 0.00 -0.71 0.00 0.00 52.86 52.96 1djo s ASN 3176Cb -0.15 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.26 1djo s ASN 3176CO 0.05 -0.51 0.00 -0.38 -1.51 0.00 0.00 177.10 174.75 1djo n ILE 3177N -1.96 0.00 -2.23 0.60 5.41 -1.26 -4.92 119.36 114.99 1djo n ILE 3177Ca 0.01 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 1djo n ILE 3177Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.48 1djo n ILE 3177CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1djo s LYS 3178N 0.00 3.35 0.42 0.38 1.02 -1.26 -4.87 119.74 118.78 1djo s LYS 3178Ca 0.00 1.65 0.30 0.00 0.02 0.00 0.00 55.97 57.94 1djo s LYS 3178Cb 0.00 -2.03 1.36 0.00 -0.52 0.00 0.00 37.83 36.63 1djo s LYS 3178CO 0.00 -0.86 1.89 1.79 -0.92 0.00 0.00 175.35 177.25 1djo h THR 3179N 1.23 0.00 -0.57 2.17 1.35 -1.93 -2.36 112.91 112.80 1djo h THR 3179Ca -0.50 -0.24 -0.28 0.00 -0.55 0.00 0.00 66.41 64.85 1djo h THR 3179Cb 1.26 1.04 -0.17 0.00 -1.73 0.00 0.00 68.15 68.56 1djo h THR 3179CO 0.57 0.00 0.35 -1.84 -0.25 0.00 0.00 175.52 174.35 1djo n GLU 3180N -2.62 1.91 -0.29 4.72 0.00 -1.26 -4.49 120.64 118.60 1djo n GLU 3180Ca 0.00 -1.80 0.19 0.00 0.00 0.00 0.00 57.16 55.55 1djo n GLU 3180Cb 0.19 -1.73 0.47 0.00 0.00 0.00 0.00 31.44 30.37 1djo n GLU 3180CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1djo h ALA 3181N 1.59 2.11 -2.74 -1.84 0.00 -1.60 -3.41 119.26 113.36 1djo h ALA 3181Ca 0.34 0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.69 1djo h ALA 3181Cb 2.05 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.70 1djo h ALA 3181CO 0.62 -0.44 -0.07 -0.06 0.00 0.00 0.00 179.25 179.30 1djo s PHE 3182N -5.53 3.37 0.11 0.00 0.40 -1.26 -0.21 117.98 114.86 1djo s PHE 3182Ca -0.09 0.74 0.03 0.00 -0.60 0.00 0.00 56.93 57.01 1djo s PHE 3182Cb 0.24 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1djo s PHE 3182CO 0.79 -0.08 -0.08 0.15 0.70 0.00 0.00 175.22 176.70 1djo s LYS 3183N 1.56 0.91 -0.03 0.44 -0.14 -0.69 -4.91 119.74 116.88 1djo s LYS 3183Ca 0.23 -1.35 0.02 0.00 -1.36 0.00 0.00 55.97 53.51 1djo s LYS 3183Cb -0.15 -0.37 0.01 0.00 -1.68 0.00 0.00 37.83 35.63 1djo s LYS 3183CO 0.09 0.02 -0.09 0.45 -0.76 0.00 0.00 175.35 175.06 1djo s SER 3184N -3.03 1.26 0.62 2.83 0.15 -1.26 -0.56 113.70 113.72 1djo s SER 3184Ca 0.13 -0.20 0.33 0.00 0.70 0.00 0.00 55.95 56.91 1djo s SER 3184Cb 0.04 -0.39 1.90 0.00 -1.71 0.00 0.00 66.02 65.85 1djo s SER 3184CO -0.03 0.05 2.18 0.00 1.20 0.00 0.00 173.24 176.65 1djo h ALA 3185N 6.51 1.47 -0.51 5.45 0.00 -1.80 -1.08 119.26 129.29 1djo h ALA 3185Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1djo h ALA 3185Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1djo h ALA 3185CO 0.48 -0.16 0.00 0.91 0.00 0.00 0.00 179.25 180.48 1djo n TRP 3186N -3.50 0.77 0.00 0.00 7.02 -1.26 -4.96 117.44 115.51 1djo n TRP 3186Ca -0.01 -0.53 0.00 0.00 -1.02 0.00 0.00 57.50 55.94 1djo n TRP 3186Cb 0.21 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 1djo n TRP 3186CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1djo n GLY 3187N 0.94 -2.09 3.81 6.99 0.00 -0.41 -4.96 105.19 109.46 1djo n GLY 3187Ca 0.18 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 1djo n GLY 3187CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1djo s PRO 3188N -2.45 3.20 0.27 1.61 0.04 -1.26 -4.80 135.00 131.59 1djo s PRO 3188Ca 0.00 1.13 0.17 0.00 0.04 0.00 0.00 61.00 62.34 1djo s PRO 3188Cb 0.00 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1djo s PRO 3188CO 0.00 -0.90 1.37 -0.07 0.04 0.00 0.00 177.00 177.43 1djo h LEU 3189N 0.10 0.00 0.00 -3.56 3.38 -1.30 -3.43 115.31 110.49 1djo h LEU 3189Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1djo h LEU 3189Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1djo h LEU 3189CO 0.57 0.42 0.00 0.61 0.09 0.00 0.00 178.44 180.14 1djo n GLY 3190N 1.23 -0.76 3.13 0.83 0.00 -1.05 -0.84 105.19 107.73 1djo n GLY 3190Ca 0.01 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 1djo n GLY 3190CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1djo s MET 3191N -0.20 0.75 -0.09 1.61 -1.94 -0.36 -0.56 119.30 118.52 1djo s MET 3191Ca 0.00 -1.31 -0.00 0.00 -1.71 0.00 0.00 55.69 52.67 1djo s MET 3191Cb 0.00 0.12 0.02 0.00 2.01 0.00 0.00 34.83 36.98 1djo s MET 3191CO 0.00 -0.13 -0.05 0.08 -0.01 0.00 0.00 175.02 174.91 1djo s VAL 3192N -3.88 0.80 -0.03 -6.03 1.01 -0.69 -0.19 120.40 111.38 1djo s VAL 3192Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1djo s VAL 3192Cb 0.07 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1djo s VAL 3192CO -0.06 0.32 -0.04 -0.69 0.00 0.00 0.00 175.10 174.64 1djo s VAL 3193N 1.63 0.44 -1.52 2.92 1.01 -0.48 -4.70 120.40 119.71 1djo s VAL 3193Ca 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1djo s VAL 3193Cb -0.13 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1djo s VAL 3193CO -0.06 0.18 0.14 -0.62 0.00 0.00 0.00 175.10 174.74 1djo n GLU 3194N 3.77 -1.64 0.00 2.72 1.02 -1.26 -1.09 120.64 124.16 1djo n GLU 3194Ca -0.23 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1djo n GLU 3194Cb 0.52 -3.89 0.00 0.00 -0.02 0.00 0.00 31.44 28.06 1djo n GLU 3194CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1djo n GLY 3195N -2.38 3.08 3.85 0.62 0.00 -1.26 -5.02 105.19 104.07 1djo n GLY 3195Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1djo n GLY 3195CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djo s LYS 3196N -0.18 3.86 -0.16 1.61 -0.14 -0.25 -4.84 119.74 119.64 1djo s LYS 3196Ca 0.00 0.33 -0.10 0.00 -1.36 0.00 0.00 55.97 54.85 1djo s LYS 3196Cb 0.00 -3.16 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 1djo s LYS 3196CO 0.00 0.66 0.17 -1.12 -0.76 0.00 0.00 175.35 174.31 1djo s SER 3197N -1.24 6.33 -0.19 2.83 0.01 -1.26 -1.38 113.70 118.80 1djo s SER 3197Ca 0.26 0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.91 1djo s SER 3197Cb -0.16 -2.11 0.03 0.00 0.21 0.00 0.00 66.02 64.00 1djo s SER 3197CO 0.14 0.24 -0.13 -0.31 0.41 0.00 0.00 173.24 173.59 1djo s TYR 3198N -0.12 2.48 -0.02 2.43 1.51 0.73 -5.01 117.35 119.36 1djo s TYR 3198Ca 0.12 -1.56 -0.07 0.00 -1.01 0.00 0.00 57.07 54.56 1djo s TYR 3198Cb -0.12 -1.70 -0.05 0.00 -0.11 0.00 0.00 41.96 39.99 1djo s TYR 3198CO 0.02 -0.75 0.24 -1.58 -1.11 0.00 0.00 175.55 172.37 1djo s TRP 3199N 1.38 3.59 0.00 2.71 0.52 -1.26 -1.22 118.94 124.65 1djo s TRP 3199Ca 0.01 0.56 0.00 0.00 0.02 0.00 0.00 56.10 56.69 1djo s TRP 3199Cb -0.15 -1.98 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 1djo s TRP 3199CO -0.09 0.64 0.00 1.19 0.02 0.00 0.00 176.95 178.71 1djo n PHE 3200N 1.28 0.00 -4.04 -1.98 3.01 -0.02 -4.98 117.46 110.73 1djo n PHE 3200Ca -0.13 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.25 1djo n PHE 3200Cb 0.53 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.91 1djo n PHE 3200CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1djo s ARG 3201N -0.64 0.80 0.03 -1.08 1.81 -0.77 -5.04 118.95 114.07 1djo s ARG 3201Ca 0.00 -1.22 0.04 0.00 -1.72 0.00 0.00 55.73 52.83 1djo s ARG 3201Cb 0.00 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.75 1djo s ARG 3201CO 0.00 -0.22 -0.13 -0.51 -0.68 0.00 0.00 175.30 173.76 1djo s LEU 3202N -2.95 2.15 0.61 2.53 1.43 -1.26 -4.81 118.68 116.37 1djo s LEU 3202Ca 0.12 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 1djo s LEU 3202Cb 0.07 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 1djo s LEU 3202CO -0.06 0.04 1.19 -2.84 0.23 0.00 0.00 176.35 174.91 1djo s PRO 3203N -0.99 2.92 -0.00 1.29 0.02 -1.26 -4.94 135.00 132.03 1djo s PRO 3203Ca 0.01 1.77 0.03 0.00 0.02 0.00 0.00 61.00 62.83 1djo s PRO 3203Cb -0.07 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1djo s PRO 3203CO 0.01 -1.23 0.11 0.00 -0.33 0.00 0.00 177.00 175.56 1djo n ALA 3204N -1.73 2.34 -2.67 -1.55 0.00 -1.26 -5.04 120.51 110.60 1djo n ALA 3204Ca 0.13 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 1djo n ALA 3204Cb 0.50 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 1djo n ALA 3204CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1djo s LYS 3205N -1.30 3.60 0.39 0.00 -0.14 -1.26 -5.06 119.74 115.97 1djo s LYS 3205Ca 0.01 -0.13 -0.28 0.00 -1.36 0.00 0.00 55.97 54.21 1djo s LYS 3205Cb 0.02 -2.81 -0.10 0.00 -1.68 0.00 0.00 37.83 33.25 1djo s LYS 3205CO 0.11 0.41 1.46 1.03 -0.76 0.00 0.00 175.35 177.61 1djo s ARG 3206N -2.94 4.04 0.25 1.68 0.52 -0.64 -5.00 118.95 116.86 1djo s ARG 3206Ca 0.41 2.52 -0.20 0.00 -0.52 0.00 0.00 55.73 57.94 1djo s ARG 3206Cb -0.12 -2.91 0.03 0.00 0.52 0.00 0.00 34.95 32.47 1djo s ARG 3206CO 0.26 -0.57 0.66 -3.38 0.02 0.00 0.00 175.30 172.30 1djo s HIS 3207N -1.14 -0.21 0.00 -0.53 -3.43 -1.26 -4.73 115.29 103.98 1djo s HIS 3207Ca 0.54 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 1djo s HIS 3207Cb -0.46 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 1djo s HIS 3207CO 0.61 -1.11 0.00 0.25 -2.00 0.00 0.00 174.74 172.49 1djo n THR 3208N -0.43 0.00 -0.28 -5.38 -2.24 -0.06 -1.03 114.28 104.86 1djo n THR 3208Ca -0.07 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 61.96 1djo n THR 3208Cb 0.61 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 69.43 1djo n THR 3208CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1djo h VAL 3209N 0.00 0.53 -0.55 2.28 -1.51 -1.69 -0.47 116.25 114.84 1djo h VAL 3209Ca 0.00 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 65.34 1djo h VAL 3209Cb 0.00 0.26 -0.03 0.00 -2.13 0.00 0.00 31.29 29.39 1djo h VAL 3209CO 0.00 0.05 0.05 -0.46 -1.23 0.00 0.00 177.57 175.98 1djo n ASN 3210N -4.46 5.15 -4.87 4.19 0.23 -0.19 -4.94 115.26 110.37 1djo n ASN 3210Ca 0.23 -2.90 -0.33 0.00 -0.53 0.00 0.00 54.58 51.06 1djo n ASN 3210Cb 0.93 -0.68 -0.05 0.00 -2.08 0.00 0.00 39.78 37.90 1djo n ASN 3210CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1djo s SER 3211N -0.73 6.62 0.00 0.53 0.15 -0.18 -4.57 113.70 115.51 1djo s SER 3211Ca 0.50 0.85 0.28 0.00 0.70 0.00 0.00 55.95 58.27 1djo s SER 3211Cb 0.38 -2.20 1.05 0.00 -1.71 0.00 0.00 66.02 63.55 1djo s SER 3211CO 0.14 0.02 1.75 -1.84 1.20 0.00 0.00 173.24 174.50 1djo n GLU 3212N 0.21 1.20 -3.99 5.44 0.28 -1.26 -4.86 120.64 117.66 1djo n GLU 3212Ca -0.02 -0.63 -0.25 0.00 -0.16 0.00 0.00 57.16 56.10 1djo n GLU 3212Cb 0.52 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.87 1djo n GLU 3212CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1djo s PHE 3213N -2.23 3.38 -0.16 -1.84 0.40 -1.26 -5.11 117.98 111.16 1djo s PHE 3213Ca 0.33 0.05 -0.06 0.00 -0.60 0.00 0.00 56.93 56.65 1djo s PHE 3213Cb 0.20 -1.60 0.07 0.00 0.51 0.00 0.00 43.02 42.20 1djo s PHE 3213CO 0.42 0.50 0.34 0.34 0.70 0.00 0.00 175.22 177.52 1djo s ASP 3214N -3.37 -0.05 0.54 1.36 3.68 -1.26 -4.67 116.67 112.90 1djo s ASP 3214Ca 0.34 0.77 0.36 0.00 2.13 0.00 0.00 52.55 56.15 1djo s ASP 3214Cb -0.10 0.91 1.96 0.00 -1.45 0.00 0.00 42.92 44.24 1djo s ASP 3214CO 0.27 -0.22 2.10 -0.29 0.13 0.00 0.00 175.17 177.16 1djo h ILE 3215N 6.10 0.00 0.00 4.11 6.09 -1.70 -1.27 117.51 130.84 1djo h ILE 3215Ca -0.20 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.16 1djo h ILE 3215Cb 1.13 0.80 -0.02 0.00 0.47 0.00 0.00 36.82 39.20 1djo h ILE 3215CO 0.18 0.00 -0.61 0.11 -3.07 0.00 0.00 178.15 174.75 1djo h LYS 3216N 0.00 0.00 0.00 2.19 1.57 -1.96 -3.17 116.57 115.20 1djo h LYS 3216Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1djo h LYS 3216Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1djo h LYS 3216CO 0.00 0.61 -0.44 1.04 -0.57 0.00 0.00 179.45 180.09 1djo n GLN 3217N -3.47 0.05 -3.28 3.15 1.13 -0.49 -4.86 117.38 109.61 1djo n GLN 3217Ca 0.00 0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.68 1djo n GLN 3217Cb 0.69 -1.53 -0.08 0.00 0.11 0.00 0.00 30.24 29.44 1djo n GLN 3217CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1djo s ILE 3218N -3.03 5.11 -0.15 5.09 1.01 -1.20 -4.95 121.20 123.08 1djo s ILE 3218Ca 0.11 0.83 0.17 0.00 0.00 0.00 0.00 60.65 61.76 1djo s ILE 3218Cb 0.17 -3.80 -0.25 0.00 0.01 0.00 0.00 42.46 38.60 1djo s ILE 3218CO 0.68 0.14 0.26 -1.20 0.00 0.00 0.00 174.94 174.81 1djo n SER 3219N 5.19 0.22 -3.54 3.58 7.64 -1.26 -5.00 113.62 120.46 1djo n SER 3219Ca -0.05 0.10 -0.11 0.00 1.01 0.00 0.00 58.87 59.82 1djo n SER 3219Cb 0.50 0.82 -0.04 0.00 -1.01 0.00 0.00 64.21 64.49 1djo n SER 3219CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1djo s SER 3220N -5.55 -0.41 0.02 6.43 1.04 -1.26 -5.14 113.70 108.84 1djo s SER 3220Ca -0.08 0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.55 1djo s SER 3220Cb 0.07 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 1djo s SER 3220CO 0.83 -0.51 0.28 -0.76 0.98 0.00 0.00 173.24 174.07 1djo s LEU 3221N -1.73 4.36 0.63 2.42 2.01 -1.26 -5.03 118.68 120.08 1djo s LEU 3221Ca -0.00 0.57 -0.16 0.00 0.01 0.00 0.00 54.13 54.55 1djo s LEU 3221Cb -0.01 -2.74 -0.02 0.00 0.01 0.00 0.00 46.19 43.44 1djo s LEU 3221CO -0.02 0.23 1.10 -2.16 1.01 0.00 0.00 176.35 176.51 1djo s PRO 3222N -1.85 2.99 0.03 1.29 0.04 -1.26 -4.96 135.00 131.27 1djo s PRO 3222Ca 0.29 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 1djo s PRO 3222Cb -0.13 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1djo s PRO 3222CO 0.17 -1.10 1.09 -1.14 0.04 0.00 0.00 177.00 176.06 1djo s GLN 3223N -3.99 4.50 -0.02 4.56 0.74 -1.26 -4.86 119.66 119.32 1djo s GLN 3223Ca 0.67 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.67 1djo s GLN 3223Cb -0.20 -3.41 0.02 0.00 1.10 0.00 0.00 33.01 30.53 1djo s GLN 3223CO 0.39 -0.15 0.01 0.08 -0.55 0.00 0.00 175.29 175.06 1djo s VAL 3224N 1.04 0.08 0.39 1.34 1.01 -1.26 -0.03 120.40 122.97 1djo s VAL 3224Ca 0.55 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.70 1djo s VAL 3224Cb -0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 1djo s VAL 3224CO 0.28 0.11 0.04 -1.81 0.00 0.00 0.00 175.10 173.73 1djo s ASP 3225N 0.91 3.17 -0.05 3.32 1.01 -0.97 -5.01 116.67 119.05 1djo s ASP 3225Ca -0.08 -1.44 0.03 0.00 0.71 0.00 0.00 52.55 51.77 1djo s ASP 3225Cb -0.12 -0.07 0.00 0.00 1.01 0.00 0.00 42.92 43.74 1djo s ASP 3225CO -0.02 -0.61 -0.15 -0.63 0.21 0.00 0.00 175.17 173.97 1djo s ILE 3226N -3.02 1.31 -0.08 0.77 1.01 -1.26 -0.19 121.20 119.74 1djo s ILE 3226Ca 0.31 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.37 1djo s ILE 3226Cb 0.08 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 1djo s ILE 3226CO 0.15 0.39 -0.19 0.00 0.00 0.00 0.00 174.94 175.28 1djo s ALA 3227N 0.26 2.41 0.28 9.38 0.00 -0.46 -4.95 121.76 128.69 1djo s ALA 3227Ca -0.08 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 1djo s ALA 3227Cb -0.13 -0.90 -0.08 0.00 0.00 0.00 0.00 23.12 22.01 1djo s ALA 3227CO 0.03 0.40 0.67 -0.47 0.00 0.00 0.00 175.76 176.38 1djo s TYR 3228N -0.12 3.40 -0.01 0.00 5.04 -1.26 -1.48 117.35 122.92 1djo s TYR 3228Ca -0.03 1.10 0.07 0.00 -2.44 0.00 0.00 57.07 55.77 1djo s TYR 3228Cb -0.14 -2.44 -0.02 0.00 0.35 0.00 0.00 41.96 39.72 1djo s TYR 3228CO 0.04 0.17 -0.22 0.45 -1.34 0.00 0.00 175.55 174.65 1djo s SER 3229N -2.27 2.57 0.13 4.32 0.15 -0.79 -4.90 113.70 112.92 1djo s SER 3229Ca 0.51 -0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.68 1djo s SER 3229Cb -0.11 -0.28 0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1djo s SER 3229CO 0.19 0.27 0.41 0.00 1.20 0.00 0.00 173.24 175.31 1djo n TYR 3230N 2.52 -1.24 -1.96 3.44 4.11 -1.26 -4.38 117.16 118.38 1djo n TYR 3230Ca -0.15 -0.69 -0.42 0.00 -0.00 0.00 0.00 57.90 56.64 1djo n TYR 3230Cb 0.52 0.34 -0.02 0.00 -0.00 0.00 0.00 39.34 40.18 1djo n TYR 3230CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1djo s GLY 3231N -2.27 2.11 -1.21 -7.48 0.00 -1.26 -2.46 107.32 94.75 1djo s GLY 3231Ca 0.09 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.18 1djo s GLY 3231CO 0.04 2.40 0.00 -2.01 0.00 0.00 0.00 173.10 173.53 1djo n ASN 3232N 2.72 -4.36 -4.78 1.64 5.15 -1.26 -4.99 115.26 109.38 1djo n ASN 3232Ca 0.09 0.27 -0.36 0.00 -0.60 0.00 0.00 54.58 53.98 1djo n ASN 3232Cb 0.39 -2.90 -0.01 0.00 -0.53 0.00 0.00 39.78 36.73 1djo n ASN 3232CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1djo s VAL 3233N -2.43 3.28 0.46 3.44 0.11 -1.03 -5.05 120.40 119.19 1djo s VAL 3233Ca 0.00 0.91 0.05 0.00 -2.93 0.00 0.00 61.98 60.01 1djo s VAL 3233Cb 0.00 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 1djo s VAL 3233CO 0.00 -0.06 0.10 0.42 -3.33 0.00 0.00 175.10 172.23 1djo s THR 3234N -1.65 1.72 -1.86 5.04 -4.23 -1.26 -4.83 115.64 108.57 1djo s THR 3234Ca 0.65 -1.86 0.30 0.00 -1.18 0.00 0.00 61.69 59.59 1djo s THR 3234Cb -0.25 -2.59 0.77 0.00 1.34 0.00 0.00 72.50 71.78 1djo s THR 3234CO 0.30 0.00 2.10 -0.90 -0.54 0.00 0.00 174.62 175.59 1djo n ASP 3235N -1.24 0.00 -0.17 3.99 5.68 -1.26 -4.39 116.55 119.15 1djo n ASP 3235Ca -0.09 -0.75 -0.10 0.00 -0.50 0.00 0.00 54.79 53.35 1djo n ASP 3235Cb 0.66 -0.07 -0.08 0.00 -1.14 0.00 0.00 41.12 40.49 1djo n ASP 3235CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1djo h THR 3236N 0.00 0.00 -0.98 2.12 2.02 -1.98 -2.19 112.91 111.90 1djo h THR 3236Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1djo h THR 3236Cb 0.07 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.41 1djo h THR 3236CO 0.00 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.52 1djo h ALA 3237N -0.18 1.45 -0.13 6.16 0.00 -1.99 -1.65 119.26 122.93 1djo h ALA 3237Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1djo h ALA 3237Cb 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1djo h ALA 3237CO -0.54 0.40 0.08 1.88 0.00 0.00 0.00 179.25 181.06 1djo h TYR 3238N 1.12 0.16 -0.38 0.00 -1.99 -1.71 -2.20 116.97 111.97 1djo h TYR 3238Ca 0.43 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 61.07 1djo h TYR 3238Cb 0.21 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1djo h TYR 3238CO -0.00 0.13 -0.13 0.87 -0.00 0.00 0.00 178.16 179.04 1djo h LYS 3239N 0.14 0.76 -0.80 4.88 1.57 -1.16 -2.36 116.57 119.60 1djo h LYS 3239Ca 0.05 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1djo h LYS 3239Cb 0.02 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1djo h LYS 3239CO -0.01 0.91 0.52 0.00 -0.57 0.00 0.00 179.45 180.31 1djo h ALA 3240N 0.82 1.03 -0.34 3.86 0.00 -1.26 0.98 119.26 124.35 1djo h ALA 3240Ca 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1djo h ALA 3240Cb 0.66 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1djo h ALA 3240CO 0.04 0.37 -0.04 -0.07 0.00 0.00 0.00 179.25 179.55 1djo h LEU 3241N 1.03 0.63 -0.55 0.00 4.07 -1.36 -2.37 115.31 116.76 1djo h LEU 3241Ca 0.31 -0.34 -0.06 0.00 0.08 0.00 0.00 57.88 57.87 1djo h LEU 3241Cb -0.05 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 1djo h LEU 3241CO -0.09 0.82 0.10 0.00 -1.08 0.00 0.00 178.44 178.19 1djo h ALA 3242N 0.83 0.73 0.00 1.53 0.00 -1.07 -2.45 119.26 118.84 1djo h ALA 3242Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1djo h ALA 3242Cb 0.52 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1djo h ALA 3242CO 0.03 0.47 -0.04 1.96 0.00 0.00 0.00 179.25 181.66 1djo h GLN 3243N 0.80 0.00 -0.67 0.00 4.20 -0.76 -2.61 115.11 116.08 1djo h GLN 3243Ca 0.17 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1djo h GLN 3243Cb 0.39 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1djo h GLN 3243CO 0.01 0.04 0.09 0.09 -0.67 0.00 0.00 178.83 178.39 1djo n ASN 3244N -3.23 5.22 0.00 1.46 4.13 -0.90 -4.94 115.26 117.00 1djo n ASN 3244Ca -0.01 -2.98 0.00 0.00 1.68 0.00 0.00 54.58 53.27 1djo n ASN 3244Cb 0.24 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 1djo n ASN 3244CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1djo n GLY 3245N 0.35 2.65 3.66 7.41 0.00 -0.98 -5.04 105.19 113.23 1djo n GLY 3245Ca 0.31 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.86 1djo n GLY 3245CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djo n ALA 3246N -0.68 0.96 0.18 4.61 0.00 -1.07 -4.68 120.51 119.83 1djo n ALA 3246Ca 0.00 0.44 0.12 0.00 0.00 0.00 0.00 53.44 53.99 1djo n ALA 3246Cb 0.00 -2.33 0.02 0.00 0.00 0.00 0.00 19.45 17.14 1djo n ALA 3246CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1djo n LYS 3247N 3.66 0.55 -3.76 0.00 4.76 0.96 -4.74 118.16 119.59 1djo n LYS 3247Ca 0.18 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.59 1djo n LYS 3247Cb 0.27 -1.79 -0.09 0.00 -1.84 0.00 0.00 35.03 31.59 1djo n LYS 3247CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1djo s ALA 3248N -3.34 -0.80 -0.07 7.82 0.00 -1.22 -2.07 121.76 122.08 1djo s ALA 3248Ca 0.00 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1djo s ALA 3248Cb 0.10 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1djo s ALA 3248CO 0.79 -0.25 -0.16 -0.51 0.00 0.00 0.00 175.76 175.62 1djo s LEU 3249N -1.18 1.81 -0.28 0.00 1.43 -0.34 -2.29 118.68 117.83 1djo s LEU 3249Ca -0.12 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.43 1djo s LEU 3249Cb -0.05 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1djo s LEU 3249CO 0.04 0.09 0.46 -0.63 0.23 0.00 0.00 176.35 176.53 1djo s ILE 3250N 0.49 5.10 -0.40 -0.59 -1.09 0.74 -1.61 121.20 123.84 1djo s ILE 3250Ca -0.14 0.68 -0.21 0.00 -2.23 0.00 0.00 60.65 58.75 1djo s ILE 3250Cb -0.16 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1djo s ILE 3250CO 0.05 0.07 0.65 -2.28 -1.23 0.00 0.00 174.94 172.21 1djo s HIS 3251N 2.22 3.10 -1.16 3.97 5.65 0.81 -1.35 115.29 128.52 1djo s HIS 3251Ca 0.18 0.15 -0.10 0.00 0.25 0.00 0.00 55.06 55.55 1djo s HIS 3251Cb -0.16 -3.28 0.24 0.00 -1.18 0.00 0.00 32.58 28.20 1djo s HIS 3251CO 0.10 -0.77 1.37 0.00 -0.65 0.00 0.00 174.74 174.79 1djo n ALA 3252N 6.20 4.41 -1.81 1.58 0.00 -0.55 0.26 120.51 130.60 1djo n ALA 3252Ca -0.01 -4.52 -0.29 0.00 0.00 0.00 0.00 53.44 48.62 1djo n ALA 3252Cb 0.48 -2.69 0.11 0.00 0.00 0.00 0.00 19.45 17.35 1djo n ALA 3252CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1djo s GLY 3253N 1.25 1.60 0.63 0.00 0.00 -1.09 -1.89 107.32 107.82 1djo s GLY 3253Ca 0.36 -0.66 -0.12 0.00 0.00 0.00 0.00 44.72 44.30 1djo s GLY 3253CO -0.01 -0.13 1.04 -0.51 0.00 0.00 0.00 173.10 173.48 1djo s THR 3254N -3.52 4.33 0.00 0.90 -4.23 -1.25 -1.16 115.64 110.71 1djo s THR 3254Ca 0.63 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.99 1djo s THR 3254Cb -0.11 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1djo s THR 3254CO 0.50 -0.90 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1djo n GLY 3255N -2.08 2.49 2.34 3.99 0.00 -1.26 -1.66 105.19 109.01 1djo n GLY 3255Ca 0.07 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1djo n GLY 3255CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1djo n ASN 3256N 1.08 8.45 -1.38 1.61 2.85 -1.26 -4.51 115.26 122.09 1djo n ASN 3256Ca 0.00 -2.72 -0.16 0.00 -0.11 0.00 0.00 54.58 51.59 1djo n ASN 3256Cb 0.00 -1.50 -0.05 0.00 1.24 0.00 0.00 39.78 39.47 1djo n ASN 3256CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1djo n GLY 3257N 3.04 1.10 3.70 8.20 0.00 -1.13 -4.58 105.19 115.51 1djo n GLY 3257Ca 0.73 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 1djo n GLY 3257CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1djo n SER 3258N -0.70 2.16 -4.16 1.61 7.64 -0.67 -4.76 113.62 114.75 1djo n SER 3258Ca -0.17 0.97 -0.27 0.00 1.01 0.00 0.00 58.87 60.41 1djo n SER 3258Cb 0.56 -1.51 -0.16 0.00 -1.01 0.00 0.00 64.21 62.08 1djo n SER 3258CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1djo s VAL 3259N -1.32 1.57 0.50 0.44 1.01 -1.26 -3.83 120.40 117.51 1djo s VAL 3259Ca 0.70 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 1djo s VAL 3259Cb -0.44 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1djo s VAL 3259CO 0.51 0.45 1.25 -0.55 0.00 0.00 0.00 175.10 176.76 1djo s SER 3260N 0.06 5.76 0.61 3.32 0.15 -1.26 -4.87 113.70 117.46 1djo s SER 3260Ca -0.06 2.51 0.37 0.00 0.70 0.00 0.00 55.95 59.48 1djo s SER 3260Cb -0.13 -2.62 1.95 0.00 -1.71 0.00 0.00 66.02 63.52 1djo s SER 3260CO 0.03 -1.22 2.23 0.77 1.20 0.00 0.00 173.24 176.25 1djo h SER 3261N 1.77 0.00 1.41 5.45 4.64 -2.00 -1.04 113.55 123.79 1djo h SER 3261Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1djo h SER 3261Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1djo h SER 3261CO 0.59 0.03 -0.02 0.54 -0.87 0.00 0.00 176.83 177.09 1djo n ARG 3262N -3.31 0.24 -0.01 4.77 1.74 -1.26 -3.72 116.66 115.11 1djo n ARG 3262Ca -0.02 0.19 0.07 0.00 -0.77 0.00 0.00 57.85 57.32 1djo n ARG 3262Cb 0.15 -1.77 -0.12 0.00 -1.02 0.00 0.00 32.46 29.69 1djo n ARG 3262CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1djo n VAL 3263N -2.19 0.07 -0.14 1.55 0.31 -0.44 -4.60 118.33 112.88 1djo n VAL 3263Ca 0.06 -0.38 -0.04 0.00 -0.01 0.00 0.00 64.34 63.97 1djo n VAL 3263Cb 0.42 0.09 0.02 0.00 -0.91 0.00 0.00 33.84 33.47 1djo n VAL 3263CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1djo h VAL 3264N 0.00 0.41 -0.38 2.52 2.07 -1.52 -2.47 116.25 116.88 1djo h VAL 3264Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1djo h VAL 3264Cb 0.80 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1djo h VAL 3264CO 0.00 0.00 -0.16 -0.65 0.02 0.00 0.00 177.57 176.78 1djo h PRO 3265N -0.08 -0.09 -0.72 1.57 0.11 -1.82 -0.27 132.00 130.70 1djo h PRO 3265Ca 0.22 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.38 1djo h PRO 3265Cb 0.43 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 1djo h PRO 3265CO -0.52 -0.06 0.48 0.00 -0.21 0.00 0.00 178.00 177.69 1djo h ALA 3266N 1.22 1.60 -0.36 -0.75 0.00 -1.76 0.32 119.26 119.53 1djo h ALA 3266Ca 0.19 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1djo h ALA 3266Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1djo h ALA 3266CO -0.44 0.32 -0.35 -0.07 0.00 0.00 0.00 179.25 178.71 1djo h LEU 3267N 0.86 0.88 -0.29 0.00 4.07 -0.77 0.53 115.31 120.59 1djo h LEU 3267Ca 0.29 -0.38 -0.07 0.00 0.08 0.00 0.00 57.88 57.81 1djo h LEU 3267Cb 0.09 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1djo h LEU 3267CO -0.09 1.14 -0.09 1.56 -1.08 0.00 0.00 178.44 179.88 1djo h GLN 3268N 0.69 0.56 -0.02 1.13 4.20 -0.32 -1.34 115.11 120.02 1djo h GLN 3268Ca 0.07 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.56 1djo h GLN 3268Cb 0.91 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1djo h GLN 3268CO 0.08 0.77 -0.02 0.37 -0.67 0.00 0.00 178.83 179.36 1djo h GLN 3269N 0.32 -0.04 -0.89 1.46 4.15 -0.87 -2.00 115.11 117.24 1djo h GLN 3269Ca 0.07 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.54 1djo h GLN 3269Cb 0.57 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.22 1djo h GLN 3269CO 0.03 -0.02 0.57 -0.07 -1.93 0.00 0.00 178.83 177.41 1djo h LEU 3270N -0.04 0.93 -0.21 -2.39 3.38 -0.81 -1.46 115.31 114.72 1djo h LEU 3270Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1djo h LEU 3270Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1djo h LEU 3270CO -0.04 0.62 0.10 -0.09 0.09 0.00 0.00 178.44 179.13 1djo h ARG 3271N 1.08 0.21 -0.33 1.13 9.65 -0.89 -1.40 114.38 123.83 1djo h ARG 3271Ca 0.37 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1djo h ARG 3271Cb 0.07 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1djo h ARG 3271CO -0.14 0.14 0.19 0.87 2.80 0.00 0.00 179.97 183.83 1djo h LYS 3272N 0.22 0.44 0.00 0.20 1.57 -0.78 -0.89 116.57 117.33 1djo h LYS 3272Ca 0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1djo h LYS 3272Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1djo h LYS 3272CO -0.06 0.32 0.00 0.09 -0.57 0.00 0.00 179.45 179.23 1djo n ASN 3273N -4.46 0.00 0.00 0.86 5.03 -0.60 -4.85 115.26 111.23 1djo n ASN 3273Ca 0.02 -0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.31 1djo n ASN 3273Cb 0.09 -0.21 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 1djo n ASN 3273CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1djo n GLY 3274N 0.33 0.69 3.67 7.41 0.00 -0.34 -5.08 105.19 111.88 1djo n GLY 3274Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1djo n GLY 3274CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1djo s THR 3275N -2.00 5.07 0.26 2.61 2.01 -0.73 -4.94 115.64 117.92 1djo s THR 3275Ca 0.00 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.82 1djo s THR 3275Cb 0.00 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.51 1djo s THR 3275CO 0.00 0.17 1.22 -1.10 -0.69 0.00 0.00 174.62 174.22 1djo s GLN 3276N 1.57 4.48 -0.24 4.92 -1.52 -0.88 -3.89 119.66 124.10 1djo s GLN 3276Ca 0.28 2.00 -0.02 0.00 -1.95 0.00 0.00 55.36 55.67 1djo s GLN 3276Cb -0.16 -3.16 0.02 0.00 -0.22 0.00 0.00 33.01 29.49 1djo s GLN 3276CO 0.11 -0.06 -0.07 0.42 -0.25 0.00 0.00 175.29 175.44 1djo s ILE 3277N -0.70 2.84 -0.19 1.08 -1.09 -1.26 -1.20 121.20 120.67 1djo s ILE 3277Ca 0.50 -0.96 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 1djo s ILE 3277Cb -0.35 -2.40 0.01 0.00 -1.58 0.00 0.00 42.46 38.13 1djo s ILE 3277CO 0.43 0.26 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.63 1djo s ILE 3278N 1.34 2.59 -0.38 2.92 1.01 -0.63 -1.06 121.20 126.98 1djo s ILE 3278Ca 0.01 -0.76 -0.22 0.00 0.00 0.00 0.00 60.65 59.68 1djo s ILE 3278Cb -0.16 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.19 1djo s ILE 3278CO -0.05 0.49 0.72 -0.13 0.00 0.00 0.00 174.94 175.97 1djo s ARG 3279N 1.33 3.62 0.00 2.79 0.52 0.16 -0.14 118.95 127.23 1djo s ARG 3279Ca 0.05 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 1djo s ARG 3279Cb -0.14 -3.84 0.00 0.00 0.52 0.00 0.00 34.95 31.49 1djo s ARG 3279CO -0.08 -0.87 0.00 0.45 0.02 0.00 0.00 175.30 174.81 1djo n SER 3280N 6.32 1.57 -3.72 0.23 2.88 0.14 -1.09 113.62 119.95 1djo n SER 3280Ca 0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 1djo n SER 3280Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 1djo n SER 3280CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1djo s SER 3281N 0.75 -0.27 -0.54 -3.46 1.04 -1.25 -2.66 113.70 107.29 1djo s SER 3281Ca 0.00 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.07 1djo s SER 3281Cb 0.00 0.56 0.44 0.00 0.10 0.00 0.00 66.02 67.13 1djo s SER 3281CO 0.00 -1.02 1.69 0.00 0.98 0.00 0.00 173.24 174.89 1djo n HIS 3282N -0.43 3.06 -3.75 5.02 1.44 -0.31 -4.23 115.22 116.02 1djo n HIS 3282Ca -0.07 -2.70 -0.28 0.00 -2.01 0.00 0.00 57.72 52.66 1djo n HIS 3282Cb 0.61 -0.96 -0.12 0.00 0.12 0.00 0.00 29.99 29.64 1djo n HIS 3282CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1djo s VAL 3283N -4.82 1.95 -0.22 0.61 1.01 -1.26 -4.93 120.40 112.73 1djo s VAL 3283Ca 0.58 -3.44 0.14 0.00 0.00 0.00 0.00 61.98 59.26 1djo s VAL 3283Cb 0.46 -2.31 0.50 0.00 0.00 0.00 0.00 36.38 35.03 1djo s VAL 3283CO -0.04 -1.01 1.42 0.59 0.00 0.00 0.00 175.10 176.05 1djo n ASN 3284N 2.63 3.20 0.06 3.32 4.13 -1.26 -4.53 115.26 122.81 1djo n ASN 3284Ca 0.18 -3.33 0.11 0.00 1.68 0.00 0.00 54.58 53.22 1djo n ASN 3284Cb 0.38 -0.58 0.01 0.00 -1.54 0.00 0.00 39.78 38.05 1djo n ASN 3284CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1djo n GLN 3285N -0.84 0.48 0.00 3.52 7.27 -1.26 -4.88 117.38 121.67 1djo n GLN 3285Ca 0.26 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1djo n GLN 3285Cb 0.94 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.89 1djo n GLN 3285CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1djo n GLY 3286N 1.27 0.03 7.00 1.69 0.00 -1.26 -4.57 105.19 109.34 1djo n GLY 3286Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1djo n GLY 3286CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djo n GLY 3287N -0.12 -1.86 3.64 -0.02 0.00 -1.26 -5.03 105.19 100.54 1djo n GLY 3287Ca 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 1djo n GLY 3287CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1djo s PHE 3288N 0.00 -0.33 -0.13 1.61 -0.12 -1.26 -4.65 117.98 113.09 1djo s PHE 3288Ca 0.00 0.03 -0.23 0.00 -0.05 0.00 0.00 56.93 56.68 1djo s PHE 3288Cb 0.00 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 1djo s PHE 3288CO 0.00 -0.96 0.69 0.08 -0.05 0.00 0.00 175.22 174.98 1djo s VAL 3289N -3.68 5.02 -0.13 -2.49 1.01 0.28 -4.93 120.40 115.47 1djo s VAL 3289Ca 0.07 1.37 -0.13 0.00 0.00 0.00 0.00 61.98 63.28 1djo s VAL 3289Cb -0.03 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1djo s VAL 3289CO -0.03 0.17 0.30 -0.22 0.00 0.00 0.00 175.10 175.32 1djo s LEU 3290N 1.39 4.29 0.31 3.92 2.96 -1.26 -3.83 118.68 126.47 1djo s LEU 3290Ca 0.34 0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 54.54 1djo s LEU 3290Cb -0.17 -2.38 -0.11 0.00 0.50 0.00 0.00 46.19 44.03 1djo s LEU 3290CO 0.14 0.16 1.45 -0.60 -1.32 0.00 0.00 176.35 176.19 1djo s ARG 3291N 0.08 4.21 0.00 1.98 3.52 -1.26 -2.75 118.95 124.74 1djo s ARG 3291Ca 0.18 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.19 1djo s ARG 3291Cb -0.13 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1djo s ARG 3291CO 0.05 -0.44 0.00 0.09 -0.81 0.00 0.00 175.30 174.19 1djo n ASN 3292N 1.45 -2.02 0.00 -2.12 3.02 -1.22 -4.89 115.26 109.47 1djo n ASN 3292Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1djo n ASN 3292Cb 0.40 -2.14 0.00 0.00 -0.61 0.00 0.00 39.78 37.42 1djo n ASN 3292CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1djo n ALA 3293N 1.00 -0.17 0.15 5.41 0.00 -1.11 -4.36 120.51 121.43 1djo n ALA 3293Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1djo n ALA 3293Cb 0.14 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.63 1djo n ALA 3293CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1djo h GLU 3294N 0.00 0.00 -3.72 0.00 4.39 -1.81 -3.46 114.58 109.98 1djo h GLU 3294Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1djo h GLU 3294Cb 0.00 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 28.44 1djo h GLU 3294CO 0.00 0.44 -0.59 -0.65 -1.16 0.00 0.00 179.01 177.05 1djo s GLN 3295N -2.99 0.37 -1.28 2.33 -1.52 -1.26 -4.85 119.66 110.47 1djo s GLN 3295Ca 0.04 -0.45 -0.18 0.00 -1.95 0.00 0.00 55.36 52.82 1djo s GLN 3295Cb 0.07 0.15 0.03 0.00 -0.22 0.00 0.00 33.01 33.04 1djo s GLN 3295CO 0.74 -0.08 1.86 -0.35 -0.25 0.00 0.00 175.29 177.21 1djo n PRO 3296N 1.66 2.79 -0.17 2.91 -0.04 -1.26 -3.46 135.00 137.42 1djo n PRO 3296Ca -0.22 -2.97 0.06 0.00 -0.04 0.00 0.00 63.50 60.32 1djo n PRO 3296Cb 0.56 -3.48 0.35 0.00 -0.04 0.00 0.00 33.50 30.88 1djo n PRO 3296CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1djo h ASP 3297N 7.73 0.66 -0.00 3.54 3.32 -1.90 -1.37 116.42 128.40 1djo h ASP 3297Ca 0.43 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 1djo h ASP 3297Cb 0.84 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1djo h ASP 3297CO 1.51 0.44 0.00 0.44 -1.72 0.00 0.00 179.24 179.91 1djo h ASP 3298N 0.76 0.00 -0.20 6.45 3.32 -1.86 0.47 116.42 125.36 1djo h ASP 3298Ca 0.29 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1djo h ASP 3298Cb 0.18 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1djo h ASP 3298CO -0.09 0.23 0.13 0.50 -1.72 0.00 0.00 179.24 178.29 1djo h LYS 3299N -0.22 0.27 0.00 3.56 3.64 -1.89 -2.89 116.57 119.04 1djo h LYS 3299Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1djo h LYS 3299Cb 0.23 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1djo h LYS 3299CO 0.00 0.20 -0.09 0.09 -2.27 0.00 0.00 179.45 177.39 1djo n ASN 3300N -4.93 0.40 -2.72 4.20 3.02 -0.55 -4.95 115.26 109.74 1djo n ASN 3300Ca -0.03 0.44 -0.14 0.00 -0.03 0.00 0.00 54.58 54.82 1djo n ASN 3300Cb 0.04 -0.50 0.06 0.00 -0.61 0.00 0.00 39.78 38.77 1djo n ASN 3300CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1djo n ASP 3301N -1.84 -2.97 -4.98 6.41 4.64 0.15 -4.97 116.55 112.98 1djo n ASP 3301Ca 0.06 -0.42 -0.21 0.00 -1.38 0.00 0.00 54.79 52.84 1djo n ASP 3301Cb 0.38 -3.77 0.03 0.00 -1.04 0.00 0.00 41.12 36.73 1djo n ASP 3301CO 0.00 0.00 0.00 0.26 -0.82 0.00 0.00 177.20 176.64 1djo s TRP 3302N -3.25 1.71 0.01 -0.67 0.51 -0.28 -4.80 118.94 112.17 1djo s TRP 3302Ca 0.13 -0.71 0.04 0.00 -2.12 0.00 0.00 56.10 53.44 1djo s TRP 3302Cb -0.06 -2.14 -0.01 0.00 -0.81 0.00 0.00 33.47 30.45 1djo s TRP 3302CO 0.52 -0.81 -0.13 0.08 -0.51 0.00 0.00 176.95 176.10 1djo s VAL 3303N -2.65 1.01 -0.05 4.03 1.01 -0.22 -4.77 120.40 118.75 1djo s VAL 3303Ca 0.52 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1djo s VAL 3303Cb -0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1djo s VAL 3303CO 0.33 0.15 0.08 -0.69 0.00 0.00 0.00 175.10 174.97 1djo s VAL 3304N -0.54 4.86 -2.01 2.92 1.01 -1.26 0.37 120.40 125.76 1djo s VAL 3304Ca 0.03 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1djo s VAL 3304Cb -0.06 -3.15 0.18 0.00 0.00 0.00 0.00 36.38 33.34 1djo s VAL 3304CO 0.00 0.48 1.16 0.00 0.00 0.00 0.00 175.10 176.74 1djo n ALA 3305N 1.61 2.48 -0.88 5.51 0.00 -0.25 -4.85 120.51 124.13 1djo n ALA 3305Ca -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1djo n ALA 3305Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1djo n ALA 3305CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1djo n HIS 3306N 0.02 0.00 1.00 0.00 -0.00 -1.25 -1.88 115.22 113.11 1djo n HIS 3306Ca 0.06 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.35 1djo n HIS 3306Cb 0.15 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.98 1djo n HIS 3306CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1djo n ASP 3307N 9.04 0.96 -4.72 0.26 3.85 -1.26 0.10 116.55 124.79 1djo n ASP 3307Ca 0.00 -0.89 -0.42 0.00 -0.71 0.00 0.00 54.79 52.77 1djo n ASP 3307Cb 0.00 0.85 -0.03 0.00 -1.35 0.00 0.00 41.12 40.59 1djo n ASP 3307CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1djo s LEU 3308N -2.98 4.37 0.97 -2.12 1.43 -0.79 -4.92 118.68 114.64 1djo s LEU 3308Ca 0.09 2.52 -0.12 0.00 -1.03 0.00 0.00 54.13 55.59 1djo s LEU 3308Cb 0.16 -3.59 0.17 0.00 0.03 0.00 0.00 46.19 42.96 1djo s LEU 3308CO 0.83 -0.77 1.09 0.54 0.23 0.00 0.00 176.35 178.27 1djo s ASN 3309N 1.18 2.90 0.20 2.29 2.20 -1.26 -4.58 114.94 117.88 1djo s ASN 3309Ca 0.68 1.27 -0.20 0.00 -0.94 0.00 0.00 52.86 53.68 1djo s ASN 3309Cb -0.41 -1.94 0.16 0.00 -2.00 0.00 0.00 41.25 37.05 1djo s ASN 3309CO 0.31 -2.97 1.57 -0.65 -2.94 0.00 0.00 177.10 172.43 1djo h PRO 3310N -1.78 -0.11 0.00 3.55 0.11 -1.95 0.34 132.00 132.16 1djo h PRO 3310Ca -0.53 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1djo h PRO 3310Cb 1.32 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 1djo h PRO 3310CO 0.57 -0.07 -0.33 1.05 -0.21 0.00 0.00 178.00 179.00 1djo h GLU 3311N -0.11 0.00 -0.16 1.05 9.09 -1.97 -1.66 114.58 120.82 1djo h GLU 3311Ca 0.27 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.54 1djo h GLU 3311Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 1djo h GLU 3311CO -0.78 0.33 -0.43 0.87 0.05 0.00 0.00 179.01 179.06 1djo h LYS 3312N 0.00 0.57 -0.72 1.06 1.79 -1.65 -3.04 116.57 114.58 1djo h LYS 3312Ca -0.00 -0.40 0.04 0.00 -2.18 0.00 0.00 60.65 58.10 1djo h LYS 3312Cb 0.64 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.31 1djo h LYS 3312CO 0.04 1.02 0.44 0.00 -1.08 0.00 0.00 179.45 179.88 1djo h ALA 3313N 0.55 0.94 -0.83 3.86 0.00 -0.60 -2.06 119.26 121.13 1djo h ALA 3313Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1djo h ALA 3313Cb 1.04 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1djo h ALA 3313CO 0.09 0.21 0.53 -0.09 0.00 0.00 0.00 179.25 179.99 1djo h ARG 3314N 0.86 0.98 -0.24 0.00 2.43 -1.32 -0.04 114.38 117.05 1djo h ARG 3314Ca 0.29 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1djo h ARG 3314Cb 0.05 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1djo h ARG 3314CO -0.12 0.65 0.10 0.82 -1.51 0.00 0.00 179.97 179.90 1djo h ILE 3315N 1.01 1.17 -0.32 1.20 1.08 -1.27 -1.17 117.51 119.21 1djo h ILE 3315Ca 0.34 -0.51 -0.04 0.00 -0.39 0.00 0.00 64.86 64.26 1djo h ILE 3315Cb 0.04 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1djo h ILE 3315CO -0.12 0.17 0.06 0.25 -0.69 0.00 0.00 178.15 177.82 1djo h LEU 3316N 0.23 0.50 -0.39 1.44 5.85 -1.19 -2.51 115.31 119.25 1djo h LEU 3316Ca 0.08 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1djo h LEU 3316Cb 0.18 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1djo h LEU 3316CO -0.01 0.63 0.12 0.00 -0.34 0.00 0.00 178.44 178.84 1djo h ALA 3317N 0.90 0.45 -0.13 1.25 0.00 -0.93 0.74 119.26 121.54 1djo h ALA 3317Ca 0.10 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1djo h ALA 3317Cb 0.33 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1djo h ALA 3317CO 0.00 -0.27 -0.05 0.52 0.00 0.00 0.00 179.25 179.45 1djo h MET 3318N 0.27 -0.03 -0.18 0.00 2.86 -1.07 -1.22 114.93 115.56 1djo h MET 3318Ca 0.18 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1djo h MET 3318Cb 0.18 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1djo h MET 3318CO -0.20 -0.02 0.07 0.28 1.06 0.00 0.00 176.91 178.10 1djo h VAL 3319N -0.03 1.16 -0.99 -2.22 2.07 -1.15 -3.10 116.25 111.99 1djo h VAL 3319Ca 0.07 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.16 1djo h VAL 3319Cb 0.14 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1djo h VAL 3319CO -0.15 0.15 0.64 0.00 0.02 0.00 0.00 177.57 178.23 1djo h ALA 3320N 0.92 1.33 0.00 1.67 0.00 -0.68 -2.13 119.26 120.37 1djo h ALA 3320Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1djo h ALA 3320Cb 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1djo h ALA 3320CO -0.01 0.50 0.00 -1.33 0.00 0.00 0.00 179.25 178.41 1djo n MET 3321N -4.48 0.40 0.00 0.00 2.81 -0.48 -1.29 117.12 114.08 1djo n MET 3321Ca 0.14 0.05 0.14 0.00 -1.81 0.00 0.00 57.70 56.22 1djo n MET 3321Cb 0.12 -1.50 0.57 0.00 -0.71 0.00 0.00 33.22 31.70 1djo n MET 3321CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1djo n THR 3322N -1.10 0.00 0.00 2.03 -2.24 -0.80 -4.14 114.28 108.03 1djo n THR 3322Ca 0.10 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1djo n THR 3322Cb 0.08 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1djo n THR 3322CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1djo n LYS 3323N -0.26 1.46 -3.85 -0.78 4.81 -0.41 -5.08 118.16 114.06 1djo n LYS 3323Ca 0.18 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.51 1djo n LYS 3323Cb 0.31 -0.80 -0.09 0.00 0.02 0.00 0.00 35.03 34.47 1djo n LYS 3323CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1djo s THR 3324N -1.60 0.09 -0.08 3.15 -1.32 -0.48 -5.01 115.64 110.39 1djo s THR 3324Ca 0.00 -0.72 0.11 0.00 -1.21 0.00 0.00 61.69 59.88 1djo s THR 3324Cb 0.00 -0.58 0.17 0.00 -1.51 0.00 0.00 72.50 70.58 1djo s THR 3324CO 0.00 -0.39 1.09 0.00 -2.21 0.00 0.00 174.62 173.10 1djo n GLN 3325N 1.23 0.77 -3.28 7.08 6.02 -1.26 -3.94 117.38 124.00 1djo n GLN 3325Ca -0.22 -1.94 -0.39 0.00 -0.01 0.00 0.00 57.00 54.44 1djo n GLN 3325Cb 0.56 -1.10 -0.08 0.00 1.02 0.00 0.00 30.24 30.65 1djo n GLN 3325CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1djo s ASP 3326N -2.11 6.44 0.46 1.08 3.68 -1.26 -4.97 116.67 119.99 1djo s ASP 3326Ca 0.19 0.53 0.11 0.00 2.13 0.00 0.00 52.55 55.51 1djo s ASP 3326Cb 0.17 -2.27 1.05 0.00 -1.45 0.00 0.00 42.92 40.42 1djo s ASP 3326CO 0.02 -0.21 2.10 0.28 0.13 0.00 0.00 175.17 177.49 1djo h SER 3327N 7.79 0.25 -0.23 -0.34 0.02 -1.95 -0.20 113.55 118.89 1djo h SER 3327Ca -0.32 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.52 1djo h SER 3327Cb 1.15 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1djo h SER 3327CO 0.71 0.19 -0.28 0.11 -1.14 0.00 0.00 176.83 176.42 1djo h LYS 3328N 0.30 0.60 -0.29 3.45 1.79 -1.94 -1.74 116.57 118.73 1djo h LYS 3328Ca 0.08 -0.33 -0.08 0.00 -2.18 0.00 0.00 60.65 58.13 1djo h LYS 3328Cb -0.03 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1djo h LYS 3328CO -0.02 0.94 -0.16 0.93 -1.08 0.00 0.00 179.45 180.06 1djo h GLU 3329N 0.29 0.51 -0.58 3.15 4.39 -1.87 -2.21 114.58 118.27 1djo h GLU 3329Ca 0.03 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1djo h GLU 3329Cb 0.85 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1djo h GLU 3329CO 0.07 0.66 0.26 -0.07 -1.16 0.00 0.00 179.01 178.77 1djo h LEU 3330N 0.47 0.77 -0.62 1.33 4.07 -0.88 -1.03 115.31 119.42 1djo h LEU 3330Ca 0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1djo h LEU 3330Cb 0.56 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 1djo h LEU 3330CO 0.04 0.70 0.26 -0.61 -1.08 0.00 0.00 178.44 177.74 1djo h GLN 3331N 0.79 0.91 -0.64 1.13 5.75 -1.01 -1.17 115.11 120.87 1djo h GLN 3331Ca 0.20 -0.16 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1djo h GLN 3331Cb 0.15 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1djo h GLN 3331CO -0.02 0.77 0.42 -0.09 -2.65 0.00 0.00 178.83 177.26 1djo h ARG 3332N 0.86 0.83 -0.82 1.69 1.12 -1.10 -1.91 114.38 115.04 1djo h ARG 3332Ca 0.21 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.99 1djo h ARG 3332Cb 0.19 -0.19 -0.04 0.00 -0.01 0.00 0.00 29.97 29.92 1djo h ARG 3332CO -0.02 0.55 0.37 0.82 -3.11 0.00 0.00 179.97 178.58 1djo h ILE 3333N 0.86 1.26 0.00 1.20 2.04 -0.76 -1.61 117.51 120.50 1djo h ILE 3333Ca 0.24 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1djo h ILE 3333Cb -0.08 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1djo h ILE 3333CO -0.06 0.32 0.00 0.49 0.00 0.00 0.00 178.15 178.90 1djo n PHE 3334N -4.29 0.77 0.97 1.37 3.72 -0.48 -1.68 117.46 117.83 1djo n PHE 3334Ca 0.08 0.29 0.10 0.00 -0.05 0.00 0.00 57.45 57.88 1djo n PHE 3334Cb 0.16 -0.98 -0.06 0.00 -0.94 0.00 0.00 39.48 37.67 1djo n PHE 3334CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1djo n TRP 3335N -2.19 0.00 -0.01 1.38 8.01 -0.66 -4.51 117.44 119.47 1djo n TRP 3335Ca 0.02 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.23 1djo n TRP 3335Cb 0.24 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.51 1djo n TRP 3335CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1djo n GLU 3336N -0.72 0.97 0.00 -0.99 1.02 -0.88 -5.07 120.64 114.97 1djo n GLU 3336Ca 0.07 -0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.26 1djo n GLU 3336Cb 0.39 -1.10 0.07 0.00 -0.02 0.00 0.00 31.44 30.78 1djo n GLU 3336CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97