#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxn s THR 3003N 0.00 3.97 0.28 1.39 -1.32 -0.81 -1.16 115.64 117.99 1lxn s THR 3003Ca 0.00 -0.72 -0.18 0.00 -1.21 0.00 0.00 61.69 59.58 1lxn s THR 3003Cb 0.00 -2.78 0.02 0.00 -1.51 0.00 0.00 72.50 68.23 1lxn s THR 3003CO 0.00 0.34 0.65 0.00 -2.21 0.00 0.00 174.62 173.40 1lxn s ALA 3004N -1.09 -0.86 -0.02 11.08 0.00 0.20 -0.43 121.76 130.63 1lxn s ALA 3004Ca 0.20 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1lxn s ALA 3004Cb -0.11 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1lxn s ALA 3004CO 0.11 -0.98 -0.02 -2.00 0.00 0.00 0.00 175.76 172.87 1lxn s GLU 3005N -3.81 0.38 -0.07 0.00 2.12 -0.67 0.72 118.70 117.37 1lxn s GLU 3005Ca 0.15 -0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.47 1lxn s GLU 3005Cb -0.04 -0.46 0.01 0.00 0.26 0.00 0.00 34.13 33.90 1lxn s GLU 3005CO 0.08 -0.04 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.44 1lxn s LEU 3006N 0.57 1.76 -0.09 2.70 2.96 0.44 -1.34 118.68 125.68 1lxn s LEU 3006Ca -0.06 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1lxn s LEU 3006Cb -0.09 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.64 1lxn s LEU 3006CO -0.01 0.07 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.05 1lxn s THR 3007N 0.57 1.41 -0.18 3.68 2.01 -0.03 -1.49 115.64 121.60 1lxn s THR 3007Ca -0.15 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1lxn s THR 3007Cb -0.16 -1.27 0.04 0.00 0.01 0.00 0.00 72.50 71.11 1lxn s THR 3007CO 0.05 0.42 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.62 1lxn s VAL 3008N 0.77 1.47 -0.12 3.82 1.01 -1.26 -0.05 120.40 126.04 1lxn s VAL 3008Ca -0.12 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1lxn s VAL 3008Cb -0.16 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.67 1lxn s VAL 3008CO 0.02 0.18 -0.15 -0.63 0.00 0.00 0.00 175.10 174.52 1lxn s ILE 3009N 1.48 1.53 -0.04 2.22 1.01 0.63 -4.73 121.20 123.31 1lxn s ILE 3009Ca -0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 1lxn s ILE 3009Cb -0.16 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1lxn s ILE 3009CO -0.08 0.45 1.08 -2.16 0.00 0.00 0.00 174.94 174.23 1lxn s PRO 3010N 1.15 4.44 -0.04 2.79 0.04 -1.26 -0.34 135.00 141.79 1lxn s PRO 3010Ca -0.03 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1lxn s PRO 3010Cb -0.14 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 1lxn s PRO 3010CO -0.05 -0.27 0.10 -0.51 0.04 0.00 0.00 177.00 176.31 1lxn s LEU 3011N 1.64 4.02 0.00 -3.56 1.02 0.17 -4.45 118.68 117.52 1lxn s LEU 3011Ca 0.53 0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.92 1lxn s LEU 3011Cb -0.23 -2.24 0.00 0.00 0.02 0.00 0.00 46.19 43.75 1lxn s LEU 3011CO 0.24 0.31 0.00 0.61 0.02 0.00 0.00 176.35 177.52 1lxn n GLY 3012N 1.40 0.49 3.76 -3.19 0.00 -1.26 -4.26 105.19 102.13 1lxn n GLY 3012Ca -0.15 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 1lxn n GLY 3012CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lxn s THR 3013N -2.00 2.74 -0.35 2.61 2.01 -1.26 -4.93 115.64 114.46 1lxn s THR 3013Ca 0.00 0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1lxn s THR 3013Cb 0.00 -3.13 0.49 0.00 0.01 0.00 0.00 72.50 69.87 1lxn s THR 3013CO 0.00 -0.12 1.58 0.00 -0.69 0.00 0.00 174.62 175.39 1lxn s SER 3015N -0.58 -0.55 0.00 0.00 0.15 -1.26 -5.03 113.70 106.43 1lxn s SER 3015Ca 0.39 0.74 0.28 0.00 0.70 0.00 0.00 55.95 58.06 1lxn s SER 3015Cb 0.32 0.70 1.01 0.00 -1.71 0.00 0.00 66.02 66.35 1lxn s SER 3015CO 0.08 -0.46 1.76 0.35 1.20 0.00 0.00 173.24 176.17 1lxn n THR 3016N 1.54 0.00 -2.91 6.45 -2.24 -1.26 -4.72 114.28 111.14 1lxn n THR 3016Ca -0.18 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1lxn n THR 3016Cb 0.56 -0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.57 1lxn n THR 3016CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1lxn s SER 3017N -2.88 6.71 0.00 3.42 0.01 -1.26 -4.90 113.70 114.81 1lxn s SER 3017Ca 0.17 0.75 0.08 0.00 1.31 0.00 0.00 55.95 58.25 1lxn s SER 3017Cb 0.19 -2.42 0.05 0.00 0.21 0.00 0.00 66.02 64.04 1lxn s SER 3017CO 0.57 -0.63 0.70 0.18 0.41 0.00 0.00 173.24 174.47 1lxn n LEU 3018N 6.24 1.51 -0.38 2.44 4.77 -1.26 -4.77 117.00 125.55 1lxn n LEU 3018Ca 0.05 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1lxn n LEU 3018Cb 0.48 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1lxn n LEU 3018CO 0.51 0.30 0.60 0.28 -1.33 0.00 0.00 177.39 177.75 1lxn h SER 3019N 1.37 -1.36 -0.72 -1.43 0.02 -1.99 -0.18 113.55 109.26 1lxn h SER 3019Ca 0.00 0.31 0.09 0.00 -0.84 0.00 0.00 61.79 61.35 1lxn h SER 3019Cb 0.31 0.74 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 1lxn h SER 3019CO 0.00 -0.30 0.37 0.28 -1.14 0.00 0.00 176.83 176.04 1lxn h SER 3020N -0.00 0.49 -0.41 3.07 0.02 -1.99 0.14 113.55 114.87 1lxn h SER 3020Ca 0.37 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.30 1lxn h SER 3020Cb 0.62 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1lxn h SER 3020CO -1.00 0.29 -0.04 1.88 -1.14 0.00 0.00 176.83 176.82 1lxn h TYR 3021N 0.63 0.84 -0.40 3.45 0.05 -1.42 -2.14 116.97 117.98 1lxn h TYR 3021Ca 0.35 -0.16 -0.09 0.00 0.05 0.00 0.00 58.73 58.88 1lxn h TYR 3021Cb 0.35 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1lxn h TYR 3021CO -0.10 0.85 -0.12 0.28 -1.05 0.00 0.00 178.16 178.02 1lxn h VAL 3022N 0.58 1.25 -0.55 -2.88 2.07 -0.75 -2.45 116.25 113.53 1lxn h VAL 3022Ca 0.11 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1lxn h VAL 3022Cb 0.54 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1lxn h VAL 3022CO 0.03 0.39 0.13 0.00 0.02 0.00 0.00 177.57 178.14 1lxn h ALA 3023N 1.23 1.20 -0.20 1.67 0.00 -0.58 0.05 119.26 122.62 1lxn h ALA 3023Ca 0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1lxn h ALA 3023Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1lxn h ALA 3023CO 0.04 0.55 -0.20 0.00 0.00 0.00 0.00 179.25 179.64 1lxn h ALA 3024N 1.33 1.30 -0.03 0.00 0.00 -1.03 0.38 119.26 121.21 1lxn h ALA 3024Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1lxn h ALA 3024Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1lxn h ALA 3024CO -0.00 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 1lxn h ALA 3025N 1.48 0.04 -0.52 0.00 0.00 -0.79 -2.65 119.26 116.82 1lxn h ALA 3025Ca 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1lxn h ALA 3025Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1lxn h ALA 3025CO 0.04 -0.19 0.15 0.28 0.00 0.00 0.00 179.25 179.52 1lxn h VAL 3026N -0.38 1.24 -0.70 0.00 2.07 -0.81 -2.10 116.25 115.57 1lxn h VAL 3026Ca 0.01 -0.82 0.15 0.00 0.82 0.00 0.00 66.70 66.86 1lxn h VAL 3026Cb 0.51 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1lxn h VAL 3026CO 0.01 0.30 0.48 -0.08 0.02 0.00 0.00 177.57 178.29 1lxn h GLU 3027N 0.72 0.29 -0.04 1.57 4.57 -0.26 0.41 114.58 121.85 1lxn h GLU 3027Ca 0.17 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.22 1lxn h GLU 3027Cb 0.30 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1lxn h GLU 3027CO -0.00 0.19 -0.49 0.00 -1.18 0.00 0.00 179.01 177.53 1lxn h ALA 3028N 1.67 1.10 -0.36 2.92 0.00 -1.01 -2.85 119.26 120.73 1lxn h ALA 3028Ca 0.34 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1lxn h ALA 3028Cb 0.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1lxn h ALA 3028CO -0.09 0.63 -0.35 -0.07 0.00 0.00 0.00 179.25 179.38 1lxn h LEU 3029N 0.09 0.86 -0.51 0.00 3.38 0.01 -3.13 115.31 116.01 1lxn h LEU 3029Ca 0.00 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1lxn h LEU 3029Cb 0.90 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1lxn h LEU 3029CO 0.07 1.12 0.27 0.11 0.09 0.00 0.00 178.44 180.10 1lxn h LYS 3030N 0.68 0.72 -0.30 1.13 1.57 -1.16 -2.25 116.57 116.95 1lxn h LYS 3030Ca 0.07 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1lxn h LYS 3030Cb 0.90 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1lxn h LYS 3030CO 0.08 0.57 0.23 0.87 -0.57 0.00 0.00 179.45 180.63 1lxn h LYS 3031N 0.68 0.00 -0.31 3.15 1.57 -1.45 0.38 116.57 120.59 1lxn h LYS 3031Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1lxn h LYS 3031Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1lxn h LYS 3031CO -0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 1lxn n LEU 3032N -4.32 2.54 -3.91 2.94 4.77 -0.89 -4.96 117.00 113.17 1lxn n LEU 3032Ca 0.04 -1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 54.57 1lxn n LEU 3032Cb 0.39 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1lxn n LEU 3032CO 0.34 0.56 -0.17 0.59 -1.33 0.00 0.00 177.39 177.38 1lxn n ASN 3033N 0.89 -3.33 -4.89 -1.43 4.13 0.13 -4.97 115.26 105.79 1lxn n ASN 3033Ca 0.17 -1.12 -0.28 0.00 1.68 0.00 0.00 54.58 55.04 1lxn n ASN 3033Cb 0.45 -2.69 -0.04 0.00 -1.54 0.00 0.00 39.78 35.97 1lxn n ASN 3033CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1lxn s VAL 3034N -3.67 5.11 -0.27 2.41 -7.23 -1.10 -5.05 120.40 110.60 1lxn s VAL 3034Ca 0.33 -0.69 -0.28 0.00 -1.81 0.00 0.00 61.98 59.54 1lxn s VAL 3034Cb -0.15 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.23 1lxn s VAL 3034CO 0.91 -0.01 1.00 -0.13 -0.31 0.00 0.00 175.10 176.56 1lxn s ARG 3035N -2.93 4.17 0.12 4.82 0.52 -1.25 -4.82 118.95 119.57 1lxn s ARG 3035Ca 0.33 1.15 -0.00 0.00 -0.52 0.00 0.00 55.73 56.69 1lxn s ARG 3035Cb -0.11 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 1lxn s ARG 3035CO 0.27 -0.70 0.02 1.52 0.02 0.00 0.00 175.30 176.43 1lxn s TYR 3036N 3.26 0.84 -0.12 -0.53 1.13 -1.26 -1.80 117.35 118.87 1lxn s TYR 3036Ca 0.42 -1.15 -0.05 0.00 -1.41 0.00 0.00 57.07 54.88 1lxn s TYR 3036Cb -0.14 -0.50 0.06 0.00 -1.10 0.00 0.00 41.96 40.28 1lxn s TYR 3036CO 0.10 -0.42 0.25 -2.00 -2.51 0.00 0.00 175.55 170.96 1lxn s GLU 3037N -3.99 0.14 -0.12 -3.49 2.12 0.18 -4.97 118.70 108.57 1lxn s GLU 3037Ca 0.20 0.70 -0.30 0.00 0.36 0.00 0.00 54.97 55.93 1lxn s GLU 3037Cb 0.07 -0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.37 1lxn s GLU 3037CO -0.01 -0.27 1.07 0.42 -0.54 0.00 0.00 175.26 175.93 1lxn s ILE 3038N 2.25 4.63 0.40 -3.70 1.01 -1.26 -0.29 121.20 124.23 1lxn s ILE 3038Ca 0.00 1.92 0.08 0.00 0.00 0.00 0.00 60.65 62.65 1lxn s ILE 3038Cb -0.12 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 1lxn s ILE 3038CO -0.08 -0.03 0.02 -0.94 0.00 0.00 0.00 174.94 173.91 1lxn s SER 3039N 1.24 3.96 0.00 3.58 1.04 -1.26 -4.96 113.70 117.29 1lxn s SER 3039Ca 0.50 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1lxn s SER 3039Cb -0.19 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1lxn s SER 3039CO 0.17 -0.42 0.16 0.61 0.98 0.00 0.00 173.24 174.74 1lxn n GLY 3040N -0.98 0.34 3.23 7.32 0.00 -1.26 -4.64 105.19 109.19 1lxn n GLY 3040Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1lxn n GLY 3040CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lxn n GLY 3042N 0.75 -2.66 3.51 -0.02 0.00 -1.26 -5.26 105.19 100.26 1lxn n GLY 3042Ca 0.00 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 1lxn n GLY 3042CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lxn s THR 3043N -2.20 4.09 0.19 2.61 -4.23 -0.55 -4.73 115.64 110.83 1lxn s THR 3043Ca 0.55 -0.28 -0.26 0.00 -1.18 0.00 0.00 61.69 60.52 1lxn s THR 3043Cb -0.12 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 70.81 1lxn s THR 3043CO 0.57 0.46 0.82 -0.76 -0.54 0.00 0.00 174.62 175.17 1lxn s LEU 3044N 0.59 4.59 0.16 4.79 1.02 0.60 -0.42 118.68 130.01 1lxn s LEU 3044Ca -0.01 1.72 0.06 0.00 0.02 0.00 0.00 54.13 55.92 1lxn s LEU 3044Cb -0.14 -3.42 -0.04 0.00 0.02 0.00 0.00 46.19 42.61 1lxn s LEU 3044CO 0.02 0.18 -0.13 -0.76 0.02 0.00 0.00 176.35 175.68 1lxn s LEU 3045N -1.24 2.51 -0.02 1.79 1.43 0.22 -0.65 118.68 122.72 1lxn s LEU 3045Ca 0.38 -0.97 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1lxn s LEU 3045Cb -0.23 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.47 1lxn s LEU 3045CO 0.27 -0.22 -0.02 -1.61 0.23 0.00 0.00 176.35 175.01 1lxn s GLU 3046N -3.43 0.42 0.04 1.70 2.02 -0.75 -0.63 118.70 118.06 1lxn s GLU 3046Ca 0.17 -0.03 -0.04 0.00 0.02 0.00 0.00 54.97 55.10 1lxn s GLU 3046Cb -0.01 -0.51 -0.02 0.00 0.10 0.00 0.00 34.13 33.70 1lxn s GLU 3046CO 0.04 -0.06 0.05 0.00 0.02 0.00 0.00 175.26 175.31 1lxn s ALA 3047N 0.67 0.07 0.04 5.21 0.00 -0.31 -3.85 121.76 123.58 1lxn s ALA 3047Ca -0.07 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.31 1lxn s ALA 3047Cb -0.10 0.23 -0.14 0.00 0.00 0.00 0.00 23.12 23.11 1lxn s ALA 3047CO -0.01 -0.29 1.32 0.93 0.00 0.00 0.00 175.76 177.70 1lxn h GLU 3048N 3.79 0.00 -3.42 0.00 5.08 -1.99 0.56 114.58 118.60 1lxn h GLU 3048Ca -0.33 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1lxn h GLU 3048Cb 1.18 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.32 1lxn h GLU 3048CO 0.51 0.86 -0.06 0.16 -1.00 0.00 0.00 179.01 179.48 1lxn s ASP 3049N -6.63 -0.20 0.25 1.42 1.47 -1.26 -4.68 116.67 107.03 1lxn s ASP 3049Ca 0.02 -0.49 -0.03 0.00 1.18 0.00 0.00 52.55 53.23 1lxn s ASP 3049Cb 0.09 0.52 0.45 0.00 -0.34 0.00 0.00 42.92 43.65 1lxn s ASP 3049CO 0.80 -0.96 1.78 -0.07 0.68 0.00 0.00 175.17 177.40 1lxn h LEU 3050N 2.31 0.55 -0.30 2.11 -0.00 -2.00 -2.69 115.31 115.29 1lxn h LEU 3050Ca -0.31 0.07 0.05 0.00 -0.00 0.00 0.00 57.88 57.70 1lxn h LEU 3050Cb 1.25 -0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.84 1lxn h LEU 3050CO 0.42 0.28 0.00 0.44 -0.00 0.00 0.00 178.44 179.58 1lxn h ASP 3051N 0.66 -0.12 -0.53 -0.43 3.45 -2.02 -2.20 116.42 115.24 1lxn h ASP 3051Ca 0.42 0.07 0.03 0.00 0.43 0.00 0.00 57.03 57.98 1lxn h ASP 3051Cb 0.51 0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.36 1lxn h ASP 3051CO -0.31 -0.03 0.30 -0.33 -1.57 0.00 0.00 179.24 177.30 1lxn h GLU 3052N 0.09 0.56 -0.65 3.56 5.08 -1.91 -0.96 114.58 120.34 1lxn h GLU 3052Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1lxn h GLU 3052Cb 0.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1lxn h GLU 3052CO -0.24 0.37 0.00 -0.11 -1.00 0.00 0.00 179.01 178.03 1lxn n LEU 3053N -4.83 0.07 0.00 1.33 7.94 -0.83 -1.30 117.00 119.39 1lxn n LEU 3053Ca 0.04 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1lxn n LEU 3053Cb 0.11 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1lxn n LEU 3053CO 0.31 0.01 0.00 1.21 -1.11 0.00 0.00 177.39 177.81 1lxn n GLU 3055N 0.64 0.00 -0.05 1.96 2.13 -0.37 -1.16 120.64 123.79 1lxn n GLU 3055Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1lxn n GLU 3055Cb 0.01 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.68 1lxn n GLU 3055CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1lxn h ALA 3056N 0.00 0.23 -0.04 4.31 0.00 -1.45 -1.52 119.26 120.79 1lxn h ALA 3056Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1lxn h ALA 3056Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1lxn h ALA 3056CO 0.00 -0.17 -0.05 0.28 0.00 0.00 0.00 179.25 179.30 1lxn h VAL 3057N 0.14 0.85 -0.82 0.00 2.07 -1.41 -0.76 116.25 116.32 1lxn h VAL 3057Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1lxn h VAL 3057Cb 0.17 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1lxn h VAL 3057CO -0.00 0.00 0.51 0.50 0.02 0.00 0.00 177.57 178.59 1lxn h LYS 3058N -0.08 0.91 -0.62 1.57 3.64 -1.80 -1.04 116.57 119.15 1lxn h LYS 3058Ca 0.03 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1lxn h LYS 3058Cb 0.12 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1lxn h LYS 3058CO -0.08 0.60 0.05 0.00 -2.27 0.00 0.00 179.45 177.75 1lxn h ALA 3059N 1.39 0.83 -0.39 5.00 0.00 -0.85 -0.18 119.26 125.05 1lxn h ALA 3059Ca 0.36 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1lxn h ALA 3059Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1lxn h ALA 3059CO -0.17 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 1lxn h ALA 3060N 1.01 0.54 0.18 0.00 0.00 -0.66 -0.94 119.26 119.39 1lxn h ALA 3060Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1lxn h ALA 3060Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1lxn h ALA 3060CO 0.02 0.34 -0.09 1.25 0.00 0.00 0.00 179.25 180.78 1lxn h HIS 3061N 0.54 -0.23 -0.97 0.00 6.17 -1.11 -2.81 115.15 116.74 1lxn h HIS 3061Ca 0.11 -0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.28 1lxn h HIS 3061Cb 0.52 0.08 -0.08 0.00 2.52 0.00 0.00 27.41 30.45 1lxn h HIS 3061CO 0.04 -0.09 0.60 1.49 0.71 0.00 0.00 177.93 180.69 1lxn h GLU 3062N -0.31 0.97 -0.57 5.26 4.57 -0.96 -2.04 114.58 121.50 1lxn h GLU 3062Ca -0.03 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1lxn h GLU 3062Cb 0.24 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1lxn h GLU 3062CO 0.04 0.64 0.28 0.00 -1.18 0.00 0.00 179.01 178.80 1lxn h ALA 3063N 1.50 1.43 -0.04 2.92 0.00 -0.92 -0.70 119.26 123.45 1lxn h ALA 3063Ca 0.46 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 1lxn h ALA 3063Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1lxn h ALA 3063CO -0.24 0.46 -0.77 0.28 0.00 0.00 0.00 179.25 178.98 1lxn h VAL 3064N 0.80 1.43 -0.59 0.00 2.07 -1.17 -2.00 116.25 116.79 1lxn h VAL 3064Ca 0.20 -2.31 -0.07 0.00 0.82 0.00 0.00 66.70 65.34 1lxn h VAL 3064Cb 0.07 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1lxn h VAL 3064CO -0.03 0.68 0.08 -0.07 0.02 0.00 0.00 177.57 178.25 1lxn h LEU 3065N 0.17 0.95 -1.25 2.57 3.38 -0.99 -2.73 115.31 117.42 1lxn h LEU 3065Ca -0.03 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1lxn h LEU 3065Cb 1.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1lxn h LEU 3065CO 0.12 0.97 -0.35 1.56 0.09 0.00 0.00 178.44 180.84 1lxn h GLN 3066N 0.88 0.00 0.00 1.13 4.20 -1.05 -1.98 115.11 118.29 1lxn h GLN 3066Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1lxn h GLN 3066Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1lxn h GLN 3066CO 0.01 0.35 0.00 0.00 -0.67 0.00 0.00 178.83 178.52 1lxn n ALA 3067N -2.39 1.75 0.00 3.87 0.00 -0.76 -4.84 120.51 118.14 1lxn n ALA 3067Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1lxn n ALA 3067Cb 0.42 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1lxn n ALA 3067CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lxn n GLY 3068N -0.00 1.24 3.76 0.00 0.00 -0.75 -5.10 105.19 104.34 1lxn n GLY 3068Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1lxn n GLY 3068CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lxn s SER 3069N -1.86 7.48 0.00 1.61 0.15 -1.15 -4.96 113.70 114.97 1lxn s SER 3069Ca 0.00 1.75 0.23 0.00 0.70 0.00 0.00 55.95 58.63 1lxn s SER 3069Cb 0.00 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.88 1lxn s SER 3069CO 0.00 0.14 1.15 0.47 1.20 0.00 0.00 173.24 176.21 1lxn n ASP 3070N 1.81 1.47 -3.40 5.45 8.00 -1.26 -4.63 116.55 124.00 1lxn n ASP 3070Ca -0.03 -1.17 -0.13 0.00 0.71 0.00 0.00 54.79 54.16 1lxn n ASP 3070Cb 0.48 0.53 -0.09 0.00 -0.02 0.00 0.00 41.12 42.02 1lxn n ASP 3070CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1lxn s ARG 3071N -2.66 0.31 -0.19 -1.24 3.52 -1.26 -5.07 118.95 112.36 1lxn s ARG 3071Ca 0.16 0.27 -0.04 0.00 -0.13 0.00 0.00 55.73 56.00 1lxn s ARG 3071Cb 0.18 -0.70 -0.02 0.00 -1.56 0.00 0.00 34.95 32.84 1lxn s ARG 3071CO 0.65 -0.76 -0.04 0.08 -0.81 0.00 0.00 175.30 174.42 1lxn s VAL 3072N 2.45 3.66 -0.31 7.11 1.01 -1.26 0.41 120.40 133.47 1lxn s VAL 3072Ca 0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1lxn s VAL 3072Cb -0.15 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1lxn s VAL 3072CO -0.19 0.45 0.15 -0.47 0.00 0.00 0.00 175.10 175.04 1lxn s TYR 3073N 0.94 3.18 -0.08 5.22 5.04 0.54 -4.95 117.35 127.24 1lxn s TYR 3073Ca 0.00 -0.54 0.05 0.00 -2.44 0.00 0.00 57.07 54.13 1lxn s TYR 3073Cb -0.15 -2.35 -0.01 0.00 0.35 0.00 0.00 41.96 39.80 1lxn s TYR 3073CO 0.01 -0.44 -0.22 0.99 -1.34 0.00 0.00 175.55 174.55 1lxn s THR 3074N 1.62 2.31 -0.08 4.34 2.01 -1.26 -0.27 115.64 124.31 1lxn s THR 3074Ca 0.05 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1lxn s THR 3074Cb -0.17 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1lxn s THR 3074CO 0.06 0.56 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.44 1lxn s THR 3075N -0.05 1.91 -0.07 -0.82 2.01 0.93 -4.99 115.64 114.55 1lxn s THR 3075Ca -0.06 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 60.99 1lxn s THR 3075Cb -0.15 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.75 1lxn s THR 3075CO 0.05 0.53 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.22 1lxn s LEU 3076N 0.18 1.25 -0.16 4.42 2.96 -1.26 -0.85 118.68 125.22 1lxn s LEU 3076Ca -0.12 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1lxn s LEU 3076Cb -0.16 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1lxn s LEU 3076CO 0.06 -0.07 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.39 1lxn s LYS 3077N 1.24 3.43 -0.16 1.98 1.02 -0.45 -4.99 119.74 121.82 1lxn s LYS 3077Ca -0.05 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1lxn s LYS 3077Cb -0.14 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.39 1lxn s LYS 3077CO -0.02 0.09 -0.20 0.42 -0.92 0.00 0.00 175.35 174.72 1lxn s ILE 3078N 0.69 2.14 -0.39 2.17 1.01 -1.26 -1.67 121.20 123.89 1lxn s ILE 3078Ca -0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 1lxn s ILE 3078Cb -0.15 -1.88 0.10 0.00 0.01 0.00 0.00 42.46 40.55 1lxn s ILE 3078CO 0.02 0.54 0.17 -0.62 0.00 0.00 0.00 174.94 175.06 1lxn s ASP 3079N 1.02 5.21 -0.60 3.58 2.15 0.43 -5.02 116.67 123.43 1lxn s ASP 3079Ca -0.02 -1.93 -0.07 0.00 0.43 0.00 0.00 52.55 50.96 1lxn s ASP 3079Cb -0.14 -1.81 0.16 0.00 -0.30 0.00 0.00 42.92 40.82 1lxn s ASP 3079CO -0.06 -0.50 0.46 -0.62 -0.17 0.00 0.00 175.17 174.27 1lxn s ASP 3080N 1.72 5.69 -0.29 -0.34 -1.08 -1.26 -1.93 116.67 119.18 1lxn s ASP 3080Ca 0.07 -2.47 -0.13 0.00 -0.52 0.00 0.00 52.55 49.50 1lxn s ASP 3080Cb -0.22 -1.97 -0.04 0.00 -1.46 0.00 0.00 42.92 39.22 1lxn s ASP 3080CO -0.04 -0.53 0.26 -0.60 0.52 0.00 0.00 175.17 174.78 1lxn s ARG 3081N 0.52 3.89 0.03 4.34 3.52 -1.26 -4.97 118.95 125.02 1lxn s ARG 3081Ca 0.13 -0.27 0.22 0.00 -0.13 0.00 0.00 55.73 55.68 1lxn s ARG 3081Cb -0.20 -3.69 -0.18 0.00 -1.56 0.00 0.00 34.95 29.32 1lxn s ARG 3081CO -0.04 -0.26 0.74 0.54 -0.81 0.00 0.00 175.30 175.48 1lxn n ARG 3082N 5.16 0.51 -0.30 5.12 5.12 -1.26 -4.30 116.66 126.70 1lxn n ARG 3082Ca -0.12 -0.08 0.08 0.00 -1.93 0.00 0.00 57.85 55.80 1lxn n ARG 3082Cb 0.51 -1.59 0.23 0.00 -1.16 0.00 0.00 32.46 30.45 1lxn n ARG 3082CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1lxn n ASP 3083N -2.20 2.92 -3.48 0.55 5.75 -1.26 -4.92 116.55 113.90 1lxn n ASP 3083Ca -0.01 -2.08 -0.09 0.00 -0.01 0.00 0.00 54.79 52.59 1lxn n ASP 3083Cb 0.51 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 1lxn n ASP 3083CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lxn s ALA 3084N -1.43 -1.74 -0.40 2.12 0.00 -1.26 -5.12 121.76 113.93 1lxn s ALA 3084Ca 0.35 0.80 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 1lxn s ALA 3084Cb 0.19 0.59 0.10 0.00 0.00 0.00 0.00 23.12 23.99 1lxn s ALA 3084CO 0.22 -0.73 0.20 0.34 0.00 0.00 0.00 175.76 175.79 1lxn s ASP 3085N -2.59 5.32 -0.11 0.00 -1.08 -1.26 -4.83 116.67 112.12 1lxn s ASP 3085Ca 0.04 -1.82 0.01 0.00 -0.52 0.00 0.00 52.55 50.26 1lxn s ASP 3085Cb -0.01 -1.86 0.02 0.00 -1.46 0.00 0.00 42.92 39.61 1lxn s ASP 3085CO -0.10 -0.52 -0.14 -0.13 0.52 0.00 0.00 175.17 174.80 1lxn s ARG 3086N 1.23 2.14 0.51 4.34 1.81 -1.26 -5.07 118.95 122.65 1lxn s ARG 3086Ca 0.05 -0.53 0.05 0.00 -1.72 0.00 0.00 55.73 53.58 1lxn s ARG 3086Cb -0.23 -1.86 0.09 0.00 -0.45 0.00 0.00 34.95 32.51 1lxn s ARG 3086CO -0.02 -0.10 0.71 0.41 -0.68 0.00 0.00 175.30 175.62 1lxn n GLY 3087N 4.31 1.46 0.16 -3.53 0.00 -1.26 -4.74 105.19 101.60 1lxn n GLY 3087Ca -0.18 -2.13 -0.07 0.00 0.00 0.00 0.00 46.02 43.63 1lxn n GLY 3087CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lxn h LEU 3088N 0.00 0.31 -0.91 0.99 3.38 -1.96 -1.24 115.31 115.88 1lxn h LEU 3088Ca -0.24 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1lxn h LEU 3088Cb 1.00 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1lxn h LEU 3088CO 0.30 0.23 0.34 -0.09 0.09 0.00 0.00 178.44 179.31 1lxn h ARG 3089N 0.41 1.13 -0.45 1.13 2.43 -1.99 -1.83 114.38 115.21 1lxn h ARG 3089Ca 0.15 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1lxn h ARG 3089Cb 0.04 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1lxn h ARG 3089CO -0.09 0.89 0.18 -0.44 -1.51 0.00 0.00 179.97 178.99 1lxn h ASP 3090N 1.11 0.62 -0.83 -3.80 3.32 -1.80 -1.58 116.42 113.46 1lxn h ASP 3090Ca 0.26 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1lxn h ASP 3090Cb 0.16 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1lxn h ASP 3090CO -0.03 0.62 0.42 0.11 -1.72 0.00 0.00 179.24 178.65 1lxn h LYS 3091N 0.58 1.19 -0.11 3.56 1.57 -0.91 -1.67 116.57 120.78 1lxn h LYS 3091Ca 0.15 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1lxn h LYS 3091Cb 0.20 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1lxn h LYS 3091CO -0.01 0.90 0.02 0.28 -0.57 0.00 0.00 179.45 180.06 1lxn h VAL 3092N 1.18 1.21 -0.42 0.50 2.07 -1.11 -3.06 116.25 116.63 1lxn h VAL 3092Ca 0.29 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1lxn h VAL 3092Cb 0.09 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1lxn h VAL 3092CO -0.04 0.19 0.05 -0.33 0.02 0.00 0.00 177.57 177.47 1lxn h GLU 3093N -0.05 0.65 -0.78 1.57 4.39 -1.11 -1.50 114.58 117.75 1lxn h GLU 3093Ca 0.03 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1lxn h GLU 3093Cb 0.28 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1lxn h GLU 3093CO 0.00 0.64 0.51 0.77 -1.16 0.00 0.00 179.01 179.77 1lxn h SER 3094N 0.63 0.87 -0.08 1.42 0.02 -1.26 -0.89 113.55 114.27 1lxn h SER 3094Ca 0.14 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1lxn h SER 3094Cb 0.31 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1lxn h SER 3094CO 0.01 0.62 -0.32 0.58 -1.14 0.00 0.00 176.83 176.58 1lxn h VAL 3095N 1.03 1.42 -0.97 2.27 2.07 -1.38 -3.16 116.25 117.52 1lxn h VAL 3095Ca 0.30 -1.71 0.06 0.00 0.82 0.00 0.00 66.70 66.17 1lxn h VAL 3095Cb -0.07 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 1lxn h VAL 3095CO -0.08 0.49 0.63 0.11 0.02 0.00 0.00 177.57 178.74 1lxn h LYS 3096N -0.13 1.12 0.00 1.57 1.57 -1.10 0.15 116.57 119.75 1lxn h LYS 3096Ca -0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1lxn h LYS 3096Cb 0.96 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1lxn h LYS 3096CO 0.07 0.74 -0.05 1.49 -0.57 0.00 0.00 179.45 181.13 1lxn h GLU 3097N 1.15 0.00 -0.02 3.15 4.81 -1.21 -2.62 114.58 119.84 1lxn h GLU 3097Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1lxn h GLU 3097Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1lxn h GLU 3097CO -0.16 0.05 -0.18 1.63 -0.73 0.00 0.00 179.01 179.61 1lxn n LYS 3098N -3.79 1.77 0.00 1.92 5.02 0.01 -5.11 118.16 117.97 1lxn n LYS 3098Ca -0.03 -1.40 0.06 0.00 -2.02 0.00 0.00 58.31 54.92 1lxn n LYS 3098Cb 0.14 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1lxn n LYS 3098CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32