#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1z h ALA 3005N 0.00 1.32 -0.04 3.52 0.00 -1.96 -1.71 119.26 120.38 1d1z h ALA 3005Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1d1z h ALA 3005Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1d1z h ALA 3005CO 0.00 0.13 0.00 1.33 0.00 0.00 0.00 179.25 180.71 1d1z n VAL 3006N -3.67 0.04 -2.94 0.00 0.24 -1.26 -4.44 118.33 106.30 1d1z n VAL 3006Ca -0.02 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.34 61.67 1d1z n VAL 3006Cb 0.22 0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 32.74 1d1z n VAL 3006CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1d1z s TYR 3007N -1.96 3.45 -0.32 6.34 5.04 -0.65 -1.37 117.35 127.89 1d1z s TYR 3007Ca 0.38 1.23 0.03 0.00 -2.44 0.00 0.00 57.07 56.27 1d1z s TYR 3007Cb 0.20 -2.95 0.09 0.00 0.35 0.00 0.00 41.96 39.65 1d1z s TYR 3007CO 0.32 -0.17 0.03 -1.01 -1.34 0.00 0.00 175.55 173.38 1d1z s HIS 3008N 1.85 3.33 0.66 4.97 3.76 0.11 -4.97 115.29 125.00 1d1z s HIS 3008Ca 0.37 -2.67 -0.10 0.00 -0.15 0.00 0.00 55.06 52.52 1d1z s HIS 3008Cb -0.17 -2.55 0.01 0.00 1.11 0.00 0.00 32.58 30.98 1d1z s HIS 3008CO 0.14 -0.92 1.04 0.20 -0.85 0.00 0.00 174.74 174.34 1d1z s GLY 3009N 1.06 1.62 -1.95 -2.22 0.00 -1.26 -4.10 107.32 100.47 1d1z s GLY 3009Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1d1z s GLY 3009CO -0.10 -0.07 0.00 0.28 0.00 0.00 0.00 173.10 173.21 1d1z n LYS 3010N -2.86 -1.45 -4.48 2.90 4.76 -1.26 -4.97 118.16 110.80 1d1z n LYS 3010Ca 0.06 1.11 -0.30 0.00 -2.87 0.00 0.00 58.31 56.31 1d1z n LYS 3010Cb 0.57 -5.54 -0.13 0.00 -1.84 0.00 0.00 35.03 28.09 1d1z n LYS 3010CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1d1z s ILE 3011N -2.83 2.52 0.69 -0.18 -4.36 -1.26 -5.14 121.20 110.64 1d1z s ILE 3011Ca 0.00 -1.53 -0.11 0.00 -0.26 0.00 0.00 60.65 58.75 1d1z s ILE 3011Cb 0.00 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.62 1d1z s ILE 3011CO 0.00 0.17 1.07 -0.94 0.24 0.00 0.00 174.94 175.48 1d1z s SER 3012N -1.87 5.48 0.21 4.36 1.04 -1.26 -4.59 113.70 117.06 1d1z s SER 3012Ca 0.15 1.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.54 1d1z s SER 3012Cb -0.10 -1.90 0.29 0.00 0.10 0.00 0.00 66.02 64.41 1d1z s SER 3012CO 0.07 -1.29 1.68 -0.09 0.98 0.00 0.00 173.24 174.59 1d1z h ARG 3013N -0.57 0.17 -0.29 4.02 2.43 -1.99 -0.88 114.38 117.26 1d1z h ARG 3013Ca -0.45 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.74 1d1z h ARG 3013Cb 1.25 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1d1z h ARG 3013CO 0.63 0.11 0.11 0.93 -1.51 0.00 0.00 179.97 180.24 1d1z h GLU 3014N 0.17 0.24 -0.24 0.20 5.08 -1.99 -0.07 114.58 117.97 1d1z h GLU 3014Ca 0.31 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1d1z h GLU 3014Cb 0.49 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1d1z h GLU 3014CO -0.46 0.16 0.16 1.15 -1.00 0.00 0.00 179.01 179.01 1d1z h THR 3015N 0.25 1.06 -0.51 1.13 2.02 -1.84 -0.45 112.91 114.57 1d1z h THR 3015Ca 0.12 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1d1z h THR 3015Cb 0.08 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1d1z h THR 3015CO -0.12 0.06 0.28 1.23 0.37 0.00 0.00 175.52 177.35 1d1z h GLY 3016N 0.32 0.72 1.19 2.16 0.00 -0.83 -1.58 103.07 105.06 1d1z h GLY 3016Ca 0.09 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 1d1z h GLY 3016CO -0.02 0.15 -0.40 0.83 0.00 0.00 0.00 176.54 177.10 1d1z h GLU 3017N 0.55 0.89 -0.74 4.80 5.08 -0.75 -1.38 114.58 123.02 1d1z h GLU 3017Ca 0.22 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1d1z h GLU 3017Cb 0.08 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1d1z h GLU 3017CO -0.13 1.12 0.45 0.87 -1.00 0.00 0.00 179.01 180.32 1d1z h LYS 3018N 0.72 1.01 -0.17 2.33 1.57 -0.80 0.24 116.57 121.47 1d1z h LYS 3018Ca 0.06 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1d1z h LYS 3018Cb 0.99 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1d1z h LYS 3018CO 0.10 0.72 0.08 1.25 -0.57 0.00 0.00 179.45 181.02 1d1z h LEU 3019N 1.02 0.23 -0.29 2.94 5.85 -1.12 -1.69 115.31 122.25 1d1z h LEU 3019Ca 0.27 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1d1z h LEU 3019Cb -0.03 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1d1z h LEU 3019CO -0.05 0.31 0.13 -0.07 -0.34 0.00 0.00 178.44 178.42 1d1z h LEU 3020N 0.13 0.38 -1.49 2.25 3.38 -0.81 -2.45 115.31 116.70 1d1z h LEU 3020Ca 0.06 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1d1z h LEU 3020Cb 0.14 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1d1z h LEU 3020CO -0.01 0.41 0.38 -0.07 0.09 0.00 0.00 178.44 179.24 1d1z h LEU 3021N 0.32 0.57 -1.33 1.67 3.38 -0.87 -0.90 115.31 118.16 1d1z h LEU 3021Ca 0.10 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1d1z h LEU 3021Cb 0.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1d1z h LEU 3021CO -0.01 0.40 0.01 0.00 0.09 0.00 0.00 178.44 178.92 1d1z h ALA 3022N 1.67 1.45 -0.26 1.53 0.00 -0.82 -1.92 119.26 120.90 1d1z h ALA 3022Ca 0.23 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1d1z h ALA 3022Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1d1z h ALA 3022CO -0.06 0.39 -0.16 1.79 0.00 0.00 0.00 179.25 181.21 1d1z h THR 3023N 0.44 1.23 -0.83 0.00 1.35 -0.97 -3.46 112.91 110.66 1d1z h THR 3023Ca 0.10 -1.05 -0.36 0.00 -0.55 0.00 0.00 66.41 64.55 1d1z h THR 3023Cb 0.28 1.21 -0.14 0.00 -1.73 0.00 0.00 68.15 67.77 1d1z h THR 3023CO 0.01 0.34 -0.33 0.61 -0.25 0.00 0.00 175.52 175.90 1d1z n GLY 3024N -0.61 1.73 3.33 5.82 0.00 -0.73 -4.98 105.19 109.76 1d1z n GLY 3024Ca 0.00 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1d1z n GLY 3024CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d1z s LEU 3025N -3.99 2.76 0.26 0.99 1.43 -1.26 -5.04 118.68 113.83 1d1z s LEU 3025Ca 0.00 -0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 52.43 1d1z s LEU 3025Cb 0.00 -1.66 -0.13 0.00 0.03 0.00 0.00 46.19 44.44 1d1z s LEU 3025CO 0.00 0.08 1.49 0.47 0.23 0.00 0.00 176.35 178.62 1d1z n ASP 3026N 4.08 3.21 0.00 2.29 10.43 -1.26 -1.55 116.55 133.74 1d1z n ASP 3026Ca -0.18 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.32 1d1z n ASP 3026Cb 0.52 -1.49 0.00 0.00 1.84 0.00 0.00 41.12 41.98 1d1z n ASP 3026CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1d1z n GLY 3027N 2.21 0.80 3.77 0.44 0.00 0.43 -4.80 105.19 108.04 1d1z n GLY 3027Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1d1z n GLY 3027CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1z s SER 3028N -2.89 6.37 0.10 1.61 0.01 -0.60 -1.05 113.70 117.26 1d1z s SER 3028Ca 0.00 2.82 -0.14 0.00 1.31 0.00 0.00 55.95 59.94 1d1z s SER 3028Cb 0.00 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1d1z s SER 3028CO 0.00 -0.83 0.34 -0.72 0.41 0.00 0.00 173.24 172.44 1d1z s TYR 3029N -1.18 -0.11 0.23 2.43 -0.85 -0.72 -1.32 117.35 115.84 1d1z s TYR 3029Ca 0.54 -0.20 -0.12 0.00 -0.52 0.00 0.00 57.07 56.77 1d1z s TYR 3029Cb -0.42 0.16 -0.00 0.00 0.38 0.00 0.00 41.96 42.08 1d1z s TYR 3029CO 0.55 -0.63 0.44 -0.48 -1.52 0.00 0.00 175.55 173.91 1d1z s LEU 3030N -2.69 0.41 -0.12 -3.49 0.05 -0.41 -1.17 118.68 111.26 1d1z s LEU 3030Ca 0.02 -0.92 0.02 0.00 0.05 0.00 0.00 54.13 53.30 1d1z s LEU 3030Cb 0.02 1.66 -0.01 0.00 -2.05 0.00 0.00 46.19 45.81 1d1z s LEU 3030CO -0.10 -1.10 -0.18 -0.22 -0.55 0.00 0.00 176.35 174.20 1d1z s LEU 3031N -3.01 2.44 0.33 1.48 2.96 -0.47 -0.78 118.68 121.62 1d1z s LEU 3031Ca 0.22 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1d1z s LEU 3031Cb 0.00 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 45.12 1d1z s LEU 3031CO 0.08 0.16 0.10 0.00 -1.32 0.00 0.00 176.35 175.36 1d1z s ARG 3032N 0.38 1.66 0.23 1.98 1.70 -0.23 -0.71 118.95 123.95 1d1z s ARG 3032Ca -0.14 -1.94 -0.30 0.00 -0.47 0.00 0.00 55.73 52.88 1d1z s ARG 3032Cb -0.17 -0.57 -0.09 0.00 -0.57 0.00 0.00 34.95 33.55 1d1z s ARG 3032CO 0.07 -0.32 1.24 -0.51 -1.08 0.00 0.00 175.30 174.70 1d1z s ASP 3033N -3.46 7.00 0.19 -2.89 -0.00 -1.26 -0.30 116.67 115.94 1d1z s ASP 3033Ca 0.33 2.37 -0.30 0.00 -0.00 0.00 0.00 52.55 54.96 1d1z s ASP 3033Cb 0.07 -2.62 -0.09 0.00 -0.00 0.00 0.00 42.92 40.28 1d1z s ASP 3033CO 0.15 -0.42 1.35 -0.55 -0.00 0.00 0.00 175.17 175.70 1d1z s SER 3034N -0.05 6.83 0.14 0.27 0.15 -0.03 -4.69 113.70 116.32 1d1z s SER 3034Ca 0.52 2.44 0.25 0.00 0.70 0.00 0.00 55.95 59.86 1d1z s SER 3034Cb -0.35 -2.61 0.51 0.00 -1.71 0.00 0.00 66.02 61.86 1d1z s SER 3034CO 0.41 -0.58 1.48 -0.62 1.20 0.00 0.00 173.24 175.12 1d1z n GLU 3035N 2.82 0.26 0.05 5.44 1.02 -1.26 -4.09 120.64 124.88 1d1z n GLU 3035Ca 0.07 0.12 -0.20 0.00 -0.02 0.00 0.00 57.16 57.13 1d1z n GLU 3035Cb 0.42 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 29.99 1d1z n GLU 3035CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1d1z h SER 3036N 0.00 0.46 -3.20 1.62 0.02 -1.97 -3.44 113.55 107.04 1d1z h SER 3036Ca 0.00 -0.76 -0.57 0.00 -0.84 0.00 0.00 61.79 59.62 1d1z h SER 3036Cb 0.73 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 62.72 1d1z h SER 3036CO 0.00 1.65 -0.76 -0.69 -1.14 0.00 0.00 176.83 175.89 1d1z s VAL 3037N -2.59 0.85 0.17 2.27 1.01 -1.26 -5.11 120.40 115.74 1d1z s VAL 3037Ca -0.15 -1.24 -0.33 0.00 0.00 0.00 0.00 61.98 60.27 1d1z s VAL 3037Cb 0.06 -1.56 -0.16 0.00 0.00 0.00 0.00 36.38 34.72 1d1z s VAL 3037CO 0.83 -0.56 1.10 -2.65 0.00 0.00 0.00 175.10 173.83 1d1z n PRO 3038N 4.87 1.00 -0.88 2.72 -0.02 -1.26 -2.05 135.00 139.39 1d1z n PRO 3038Ca -0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1d1z n PRO 3038Cb 0.43 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1d1z n PRO 3038CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d1z n GLY 3039N 1.94 1.21 3.95 -1.23 0.00 -1.26 -5.02 105.19 104.77 1d1z n GLY 3039Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1d1z n GLY 3039CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1z s VAL 3040N -3.86 5.21 0.38 1.61 1.01 -0.87 -4.78 120.40 119.11 1d1z s VAL 3040Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1d1z s VAL 3040Cb 0.00 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 1d1z s VAL 3040CO 0.00 -0.30 -0.02 -0.31 0.00 0.00 0.00 175.10 174.46 1d1z s TYR 3041N -1.99 2.41 -0.13 5.22 1.51 0.20 -0.85 117.35 123.71 1d1z s TYR 3041Ca 0.37 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1d1z s TYR 3041Cb -0.10 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1d1z s TYR 3041CO 0.31 0.44 -0.12 0.00 -1.11 0.00 0.00 175.55 175.07 1d1z s LEU 3043N 1.52 4.13 -0.15 0.00 2.96 0.46 -1.07 118.68 126.53 1d1z s LEU 3043Ca 0.04 0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1d1z s LEU 3043Cb -0.13 -3.00 -0.01 0.00 0.50 0.00 0.00 46.19 43.56 1d1z s LEU 3043CO -0.09 -0.67 -0.14 0.00 -1.32 0.00 0.00 176.35 174.14 1d1z s VAL 3045N 0.70 1.09 0.04 0.00 1.01 -0.17 -1.29 120.40 121.78 1d1z s VAL 3045Ca -0.06 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 1d1z s VAL 3045Cb -0.15 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 1d1z s VAL 3045CO 0.02 0.34 0.73 -0.22 0.00 0.00 0.00 175.10 175.97 1d1z s LEU 3046N 0.62 4.45 -0.23 3.92 2.96 -0.43 -0.56 118.68 129.41 1d1z s LEU 3046Ca -0.13 1.40 -0.08 0.00 -0.22 0.00 0.00 54.13 55.09 1d1z s LEU 3046Cb -0.15 -3.17 0.10 0.00 0.50 0.00 0.00 46.19 43.47 1d1z s LEU 3046CO 0.03 0.04 0.50 -0.47 -1.32 0.00 0.00 176.35 175.13 1d1z s TYR 3047N -0.13 -0.94 -1.61 5.38 6.14 0.25 -0.43 117.35 126.00 1d1z s TYR 3047Ca 0.37 1.76 -0.11 0.00 0.64 0.00 0.00 57.07 59.73 1d1z s TYR 3047Cb -0.20 0.46 0.10 0.00 0.42 0.00 0.00 41.96 42.73 1d1z s TYR 3047CO 0.22 -0.52 0.57 0.72 0.64 0.00 0.00 175.55 177.18 1d1z n HIS 3048N 5.24 -1.62 -0.22 4.97 8.25 -1.26 -1.58 115.22 129.00 1d1z n HIS 3048Ca -0.12 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1d1z n HIS 3048Cb 0.50 -3.11 0.00 0.00 1.12 0.00 0.00 29.99 28.51 1d1z n HIS 3048CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d1z n GLY 3049N -1.69 1.04 3.49 -1.41 0.00 -1.26 -5.02 105.19 100.34 1d1z n GLY 3049Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1d1z n GLY 3049CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d1z s TYR 3050N -2.67 2.61 -0.15 1.61 1.51 -0.61 -5.06 117.35 114.58 1d1z s TYR 3050Ca 0.00 -0.23 -0.16 0.00 -1.01 0.00 0.00 57.07 55.68 1d1z s TYR 3050Cb 0.00 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1d1z s TYR 3050CO 0.00 0.31 0.39 0.42 -1.11 0.00 0.00 175.55 175.56 1d1z s ILE 3051N -1.01 5.24 -0.18 2.71 -1.09 -1.26 -0.59 121.20 125.03 1d1z s ILE 3051Ca 0.16 0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 59.26 1d1z s ILE 3051Cb -0.11 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1d1z s ILE 3051CO 0.07 0.33 0.01 -0.31 -1.23 0.00 0.00 174.94 173.82 1d1z s TYR 3052N 0.72 3.12 -0.19 3.97 1.51 0.27 -4.95 117.35 121.80 1d1z s TYR 3052Ca 0.21 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1d1z s TYR 3052Cb -0.14 -2.04 0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1d1z s TYR 3052CO 0.07 -0.00 -0.16 0.99 -1.11 0.00 0.00 175.55 175.34 1d1z s THR 3053N 0.51 1.95 -0.18 -0.71 2.01 -1.26 -1.00 115.64 116.95 1d1z s THR 3053Ca -0.00 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 1d1z s THR 3053Cb -0.14 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1d1z s THR 3053CO 0.02 0.37 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.90 1d1z s TYR 3054N 1.30 2.86 0.23 4.92 1.51 0.41 -4.95 117.35 123.62 1d1z s TYR 3054Ca 0.02 -0.96 -0.30 0.00 -1.01 0.00 0.00 57.07 54.82 1d1z s TYR 3054Cb -0.15 -1.97 -0.09 0.00 -0.11 0.00 0.00 41.96 39.65 1d1z s TYR 3054CO -0.10 -0.47 1.15 1.03 -1.11 0.00 0.00 175.55 176.05 1d1z s ARG 3055N 1.00 4.56 -0.15 -0.62 1.81 -1.26 -0.41 118.95 123.89 1d1z s ARG 3055Ca -0.01 1.84 0.01 0.00 -1.72 0.00 0.00 55.73 55.85 1d1z s ARG 3055Cb -0.15 -3.22 0.02 0.00 -0.45 0.00 0.00 34.95 31.15 1d1z s ARG 3055CO -0.01 0.05 -0.18 0.08 -0.68 0.00 0.00 175.30 174.56 1d1z s VAL 3056N -0.57 1.80 0.10 3.52 1.01 0.41 -0.88 120.40 125.79 1d1z s VAL 3056Ca 0.49 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1d1z s VAL 3056Cb -0.32 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1d1z s VAL 3056CO 0.39 0.50 0.00 -0.94 0.00 0.00 0.00 175.10 175.05 1d1z s SER 3057N 1.16 0.56 -0.06 3.32 1.04 -0.65 -0.63 113.70 118.44 1d1z s SER 3057Ca -0.00 -1.10 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 1d1z s SER 3057Cb -0.14 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1d1z s SER 3057CO -0.07 -0.63 -0.00 -1.58 0.98 0.00 0.00 173.24 171.93 1d1z s GLN 3058N -3.96 2.92 1.00 4.02 0.74 -1.26 -1.58 119.66 121.55 1d1z s GLN 3058Ca 0.16 -0.47 -0.17 0.00 0.05 0.00 0.00 55.36 54.93 1d1z s GLN 3058Cb 0.07 -2.75 0.23 0.00 1.10 0.00 0.00 33.01 31.66 1d1z s GLN 3058CO -0.04 0.68 1.35 0.95 -0.55 0.00 0.00 175.29 177.68 1d1z s THR 3059N -0.93 1.99 0.34 -0.34 -4.23 0.25 -4.87 115.64 107.83 1d1z s THR 3059Ca 0.15 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.78 1d1z s THR 3059Cb -0.11 -2.98 0.34 0.00 1.34 0.00 0.00 72.50 71.08 1d1z s THR 3059CO 0.04 0.00 1.63 1.05 -0.54 0.00 0.00 174.62 176.80 1d1z h GLU 3060N -1.80 0.17 -0.07 3.99 9.09 -1.99 -1.78 114.58 122.20 1d1z h GLU 3060Ca -0.44 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1d1z h GLU 3060Cb 1.22 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1d1z h GLU 3060CO 0.32 0.12 0.00 0.25 0.05 0.00 0.00 179.01 179.75 1d1z n THR 3061N -5.19 1.31 0.00 -1.06 -2.24 -1.26 -5.00 114.28 100.84 1d1z n THR 3061Ca 0.31 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1d1z n THR 3061Cb 0.99 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1d1z n THR 3061CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d1z n GLY 3062N -0.59 0.76 3.88 3.38 0.00 -0.67 -5.08 105.19 106.87 1d1z n GLY 3062Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1d1z n GLY 3062CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1z s SER 3063N -2.41 6.58 -0.08 1.61 0.01 -1.26 -4.67 113.70 113.47 1d1z s SER 3063Ca 0.00 0.91 -0.05 0.00 1.31 0.00 0.00 55.95 58.12 1d1z s SER 3063Cb 0.00 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1d1z s SER 3063CO 0.00 -0.14 0.13 0.26 0.41 0.00 0.00 173.24 173.90 1d1z s TRP 3064N -1.93 3.51 0.11 2.43 0.52 0.37 0.85 118.94 124.79 1d1z s TRP 3064Ca 0.47 0.43 -0.12 0.00 0.02 0.00 0.00 56.10 56.91 1d1z s TRP 3064Cb -0.11 -1.88 0.01 0.00 -1.15 0.00 0.00 33.47 30.34 1d1z s TRP 3064CO 0.24 0.67 0.28 -1.54 0.02 0.00 0.00 176.95 176.63 1d1z s SER 3065N -1.25 -0.02 -0.06 2.95 1.04 -0.61 -0.24 113.70 115.50 1d1z s SER 3065Ca 0.18 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1d1z s SER 3065Cb -0.12 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1d1z s SER 3065CO 0.08 -0.80 -0.04 0.00 0.98 0.00 0.00 173.24 173.46 1d1z s ALA 3066N -3.85 3.11 -0.39 5.32 0.00 -1.26 -1.64 121.76 123.05 1d1z s ALA 3066Ca 0.05 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 1d1z s ALA 3066Cb 0.03 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1d1z s ALA 3066CO -0.10 0.59 1.03 -1.21 0.00 0.00 0.00 175.76 176.07 1d1z s GLU 3067N -0.96 3.85 0.00 0.00 2.02 -0.06 -4.89 118.70 118.67 1d1z s GLU 3067Ca 0.14 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.82 1d1z s GLU 3067Cb -0.11 -3.82 0.00 0.00 0.10 0.00 0.00 34.13 30.30 1d1z s GLU 3067CO 0.03 -1.07 0.00 0.25 0.02 0.00 0.00 175.26 174.49 1d1z n THR 3068N 6.22 0.00 -2.22 3.63 -2.24 -1.26 -4.20 114.28 114.21 1d1z n THR 3068Ca 0.10 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.50 1d1z n THR 3068Cb 0.48 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1d1z n THR 3068CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d1z s ALA 3069N -2.24 3.08 0.54 6.98 0.00 -1.03 -4.99 121.76 124.10 1d1z s ALA 3069Ca 0.00 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 1d1z s ALA 3069Cb 0.00 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1d1z s ALA 3069CO 0.00 -0.67 1.13 -2.30 0.00 0.00 0.00 175.76 173.93 1d1z n PRO 3070N -0.19 1.31 0.00 0.00 -0.02 -1.26 -2.04 135.00 132.80 1d1z n PRO 3070Ca 0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1d1z n PRO 3070Cb 0.47 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1d1z n PRO 3070CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d1z n GLY 3071N 1.05 3.36 3.72 -1.23 0.00 -1.26 -5.01 105.19 105.82 1d1z n GLY 3071Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1d1z n GLY 3071CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1z s VAL 3072N -2.64 4.36 -0.19 1.61 1.01 -0.86 -4.98 120.40 118.70 1d1z s VAL 3072Ca 0.00 1.80 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 1d1z s VAL 3072Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1d1z s VAL 3072CO 0.00 0.20 1.52 -2.28 0.00 0.00 0.00 175.10 174.54 1d1z s HIS 3073N 0.58 2.29 0.04 5.22 2.46 -1.26 -4.93 115.29 119.70 1d1z s HIS 3073Ca 0.52 0.60 -0.30 0.00 0.47 0.00 0.00 55.06 56.35 1d1z s HIS 3073Cb -0.26 -3.87 -0.06 0.00 -0.13 0.00 0.00 32.58 28.27 1d1z s HIS 3073CO 0.30 -2.74 1.26 0.21 -2.47 0.00 0.00 174.74 171.30 1d1z s LYS 3074N 4.26 4.38 -0.00 2.88 2.20 -1.26 -5.02 119.74 127.18 1d1z s LYS 3074Ca 0.67 1.83 -0.02 0.00 -0.36 0.00 0.00 55.97 58.09 1d1z s LYS 3074Cb -0.25 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1d1z s LYS 3074CO 0.26 -0.37 0.19 1.03 -0.36 0.00 0.00 175.35 176.10 1d1z s ARG 3075N 1.47 3.44 0.07 4.03 0.52 -1.26 -5.11 118.95 122.11 1d1z s ARG 3075Ca 0.60 -0.33 0.09 0.00 -0.52 0.00 0.00 55.73 55.57 1d1z s ARG 3075Cb -0.30 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 1d1z s ARG 3075CO 0.28 0.67 -0.25 0.71 0.02 0.00 0.00 175.30 176.73 1d1z s TYR 3076N -1.34 2.15 -0.02 -0.53 2.02 -1.26 -4.44 117.35 113.93 1d1z s TYR 3076Ca 0.28 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 1d1z s TYR 3076Cb -0.13 -1.24 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1d1z s TYR 3076CO 0.20 0.18 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.27 1d1z s PHE 3077N -0.91 0.40 0.24 2.71 0.40 0.66 -4.91 117.98 116.57 1d1z s PHE 3077Ca 0.11 -0.06 0.09 0.00 -0.60 0.00 0.00 56.93 56.46 1d1z s PHE 3077Cb -0.10 -0.36 0.22 0.00 0.51 0.00 0.00 43.02 43.30 1d1z s PHE 3077CO 0.03 -0.08 1.53 0.00 0.70 0.00 0.00 175.22 177.41 1d1z h ARG 3078N 6.64 0.04 -5.51 0.44 3.08 -1.86 1.07 114.38 118.28 1d1z h ARG 3078Ca -0.35 -0.03 -0.67 0.00 0.07 0.00 0.00 59.98 59.00 1d1z h ARG 3078Cb 1.17 0.01 -0.32 0.00 0.08 0.00 0.00 29.97 30.90 1d1z h ARG 3078CO 0.49 0.72 -0.88 0.15 -1.07 0.00 0.00 179.97 179.38 1d1z s LYS 3079N -3.44 2.80 0.37 0.04 1.02 -1.26 -4.75 119.74 114.52 1d1z s LYS 3079Ca -0.01 -0.86 0.07 0.00 0.02 0.00 0.00 55.97 55.19 1d1z s LYS 3079Cb 0.12 -2.20 0.74 0.00 -0.52 0.00 0.00 37.83 35.97 1d1z s LYS 3079CO 0.78 0.24 1.92 0.97 -0.92 0.00 0.00 175.35 178.34 1d1z h ILE 3080N 5.51 1.17 0.00 2.17 6.09 -1.97 0.01 117.51 130.50 1d1z h ILE 3080Ca -0.24 -0.68 -0.02 0.00 -1.37 0.00 0.00 64.86 62.55 1d1z h ILE 3080Cb 1.22 1.00 -0.00 0.00 0.47 0.00 0.00 36.82 39.51 1d1z h ILE 3080CO 0.47 0.23 -0.10 0.11 -3.07 0.00 0.00 178.15 175.79 1d1z h LYS 3081N 0.37 0.00 0.00 2.19 1.57 -1.99 -1.87 116.57 116.85 1d1z h LYS 3081Ca 0.08 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 1d1z h LYS 3081Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1d1z h LYS 3081CO 0.01 0.10 -0.95 -0.91 -0.57 0.00 0.00 179.45 177.14 1d1z h ASN 3082N 0.00 0.00 -0.23 0.86 2.35 -1.43 -1.67 115.58 115.45 1d1z h ASN 3082Ca -0.00 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1d1z h ASN 3082Cb 0.24 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1d1z h ASN 3082CO 0.01 0.95 0.14 0.25 -1.65 0.00 0.00 177.43 177.13 1d1z h LEU 3083N 0.00 0.23 -0.42 1.61 6.46 -0.73 -1.76 115.31 120.71 1d1z h LEU 3083Ca -0.01 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1d1z h LEU 3083Cb 1.67 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.53 1d1z h LEU 3083CO 0.12 0.17 0.14 0.40 -0.62 0.00 0.00 178.44 178.66 1d1z h ILE 3084N 0.29 1.21 -0.92 4.05 1.08 -1.27 -2.30 117.51 119.66 1d1z h ILE 3084Ca 0.09 -0.70 0.01 0.00 -0.39 0.00 0.00 64.86 63.87 1d1z h ILE 3084Cb -0.01 0.87 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 1d1z h ILE 3084CO -0.04 0.25 0.61 0.28 -0.69 0.00 0.00 178.15 178.56 1d1z h SER 3085N 0.54 1.04 -0.54 1.72 0.02 -1.17 -2.42 113.55 112.75 1d1z h SER 3085Ca 0.14 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1d1z h SER 3085Cb 0.25 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1d1z h SER 3085CO -0.01 0.75 0.27 0.00 -1.14 0.00 0.00 176.83 176.71 1d1z h ALA 3086N 1.34 1.40 -0.03 3.77 0.00 -0.93 -1.87 119.26 122.95 1d1z h ALA 3086Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1d1z h ALA 3086Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1d1z h ALA 3086CO -0.08 0.47 0.00 1.19 0.00 0.00 0.00 179.25 180.83 1d1z n PHE 3087N -4.36 0.03 1.30 0.00 3.01 -0.90 -2.42 117.46 114.12 1d1z n PHE 3087Ca 0.05 -0.02 0.14 0.00 1.01 0.00 0.00 57.45 58.64 1d1z n PHE 3087Cb 0.13 0.00 0.71 0.00 -0.01 0.00 0.00 39.48 40.31 1d1z n PHE 3087CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1d1z n GLN 3088N -0.61 0.33 -4.04 -1.08 6.02 -0.70 -1.38 117.38 115.92 1d1z n GLN 3088Ca 0.15 0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.91 1d1z n GLN 3088Cb 0.12 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 1d1z n GLN 3088CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1d1z s LYS 3089N -2.66 3.12 0.93 -1.09 3.01 -1.02 -4.62 119.74 117.40 1d1z s LYS 3089Ca 0.25 -0.84 -0.13 0.00 -1.01 0.00 0.00 55.97 54.24 1d1z s LYS 3089Cb 0.19 -2.74 0.15 0.00 -1.01 0.00 0.00 37.83 34.43 1d1z s LYS 3089CO 0.46 0.46 1.16 -1.25 0.51 0.00 0.00 175.35 176.69 1d1z s PRO 3090N -3.48 1.00 -1.16 -1.68 0.04 -1.26 -4.30 135.00 124.15 1d1z s PRO 3090Ca 0.33 0.19 -0.05 0.00 0.04 0.00 0.00 61.00 61.50 1d1z s PRO 3090Cb -0.10 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1d1z s PRO 3090CO 0.26 -2.27 0.67 -0.25 0.04 0.00 0.00 177.00 175.44 1d1z n ASP 3091N -3.80 -5.29 -0.48 6.66 8.00 -1.26 -4.91 116.55 115.46 1d1z n ASP 3091Ca 0.08 -0.31 0.07 0.00 0.71 0.00 0.00 54.79 55.34 1d1z n ASP 3091Cb 0.59 -4.04 0.04 0.00 -0.02 0.00 0.00 41.12 37.69 1d1z n ASP 3091CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d1z n GLN 3092N -3.63 1.31 0.00 -1.24 1.13 -1.26 -4.99 117.38 108.70 1d1z n GLN 3092Ca -0.05 -1.14 0.00 0.00 -1.94 0.00 0.00 57.00 53.87 1d1z n GLN 3092Cb 0.58 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.68 1d1z n GLN 3092CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1d1z n GLY 3093N 0.90 0.63 3.84 1.08 0.00 -1.26 -4.89 105.19 105.49 1d1z n GLY 3093Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1d1z n GLY 3093CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d1z s ILE 3094N -2.00 2.55 0.26 -0.61 -4.36 -1.26 -2.47 121.20 113.31 1d1z s ILE 3094Ca 0.00 -1.44 0.09 0.00 -0.26 0.00 0.00 60.65 59.04 1d1z s ILE 3094Cb 0.00 -2.99 -0.03 0.00 1.25 0.00 0.00 42.46 40.68 1d1z s ILE 3094CO 0.00 0.00 1.60 1.62 0.24 0.00 0.00 174.94 178.40 1d1z h VAL 3095N 1.14 1.43 -2.83 8.37 3.04 -1.99 -3.44 116.25 121.96 1d1z h VAL 3095Ca -0.42 -2.09 -0.11 0.00 -1.01 0.00 0.00 66.70 63.07 1d1z h VAL 3095Cb 1.26 2.11 -0.22 0.00 -2.01 0.00 0.00 31.29 32.44 1d1z h VAL 3095CO 0.61 0.60 -0.22 -0.51 -1.01 0.00 0.00 177.57 177.04 1d1z s ILE 3096N -3.64 0.03 0.68 3.17 1.10 -1.26 -5.11 121.20 116.17 1d1z s ILE 3096Ca -0.02 -0.25 -0.16 0.00 -0.51 0.00 0.00 60.65 59.71 1d1z s ILE 3096Cb 0.13 -0.63 0.01 0.00 0.15 0.00 0.00 42.46 42.11 1d1z s ILE 3096CO 0.77 -0.14 1.20 -2.84 -2.11 0.00 0.00 174.94 171.82 1d1z s PRO 3097N -0.72 2.49 0.07 3.50 0.02 -1.26 -4.94 135.00 134.17 1d1z s PRO 3097Ca -0.08 1.74 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 1d1z s PRO 3097Cb -0.04 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 1d1z s PRO 3097CO 0.03 -1.56 1.66 -0.51 -0.33 0.00 0.00 177.00 176.29 1d1z s LEU 3098N -4.76 4.37 0.00 -5.54 1.43 -0.48 -4.57 118.68 109.12 1d1z s LEU 3098Ca 0.75 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 56.35 1d1z s LEU 3098Cb -0.29 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1d1z s LEU 3098CO 0.41 -0.89 0.00 0.00 0.23 0.00 0.00 176.35 176.10 1d1z n GLN 3099N 5.56 0.33 -3.81 1.70 6.02 -0.21 -4.37 117.38 122.59 1d1z n GLN 3099Ca 0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.85 1d1z n GLN 3099Cb 0.40 -0.78 -0.15 0.00 1.02 0.00 0.00 30.24 30.74 1d1z n GLN 3099CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1d1z s TYR 3100N -1.56 2.24 0.17 1.08 1.51 -0.50 -4.98 117.35 115.32 1d1z s TYR 3100Ca 0.00 -2.07 -0.30 0.00 -1.01 0.00 0.00 57.07 53.69 1d1z s TYR 3100Cb 0.00 -2.03 -0.08 0.00 -0.11 0.00 0.00 41.96 39.74 1d1z s TYR 3100CO 0.00 -0.90 1.20 -1.25 -1.11 0.00 0.00 175.55 173.50 1d1z s PRO 3101N 1.43 4.48 -0.57 -1.71 0.04 -1.26 -1.76 135.00 135.65 1d1z s PRO 3101Ca 0.10 1.87 -0.20 0.00 0.04 0.00 0.00 61.00 62.81 1d1z s PRO 3101Cb -0.18 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.19 1d1z s PRO 3101CO -0.21 -0.11 0.75 0.08 0.04 0.00 0.00 177.00 177.55 1d1z s VAL 3102N 0.08 4.69 -0.91 -0.36 1.01 -0.31 -4.89 120.40 119.72 1d1z s VAL 3102Ca 0.54 -0.56 0.18 0.00 0.00 0.00 0.00 61.98 62.14 1d1z s VAL 3102Cb -0.32 -4.47 -0.19 0.00 0.00 0.00 0.00 36.38 31.39 1d1z s VAL 3102CO 0.36 -1.08 0.79 -0.62 0.00 0.00 0.00 175.10 174.55 1d1z n GLU 3103N 6.67 0.89 0.00 2.72 1.02 -1.26 -4.43 120.64 126.25 1d1z n GLU 3103Ca -0.06 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1d1z n GLU 3103Cb 0.45 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1d1z n GLU 3103CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67