#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uup h GLN 3002N 0.00 0.13 -5.39 3.69 1.08 -2.00 -3.44 115.11 109.18 1uup h GLN 3002Ca 0.00 -0.19 -0.42 0.00 -1.45 0.00 0.00 58.65 56.59 1uup h GLN 3002Cb 0.00 0.07 -0.14 0.00 -0.05 0.00 0.00 27.48 27.35 1uup h GLN 3002CO 0.00 1.04 -0.71 -0.51 -0.95 0.00 0.00 178.83 177.70 1uup s ASP 3003N -6.44 2.36 -0.02 1.46 -0.00 -1.26 -4.54 116.67 108.23 1uup s ASP 3003Ca -0.17 -1.08 0.02 0.00 -0.00 0.00 0.00 52.55 51.33 1uup s ASP 3003Cb -0.01 -0.10 -0.03 0.00 -0.00 0.00 0.00 42.92 42.78 1uup s ASP 3003CO 0.74 -0.28 -0.05 -2.16 -0.00 0.00 0.00 175.17 173.42 1uup s PRO 3004N -3.71 2.67 -0.03 8.23 0.04 -1.26 -5.10 135.00 135.84 1uup s PRO 3004Ca 0.23 -0.64 -0.17 0.00 0.04 0.00 0.00 61.00 60.46 1uup s PRO 3004Cb 0.02 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1uup s PRO 3004CO 0.07 0.63 0.48 0.16 0.04 0.00 0.00 177.00 178.38 1uup s ASP 3005N -1.25 6.83 0.50 6.66 -4.77 -1.26 -4.95 116.67 118.43 1uup s ASP 3005Ca 0.16 0.99 0.05 0.00 -3.30 0.00 0.00 52.55 50.44 1uup s ASP 3005Cb -0.11 -2.29 0.16 0.00 -1.09 0.00 0.00 42.92 39.58 1uup s ASP 3005CO 0.06 0.18 0.81 -2.65 0.70 0.00 0.00 175.17 174.27 1uup n PRO 3006N 2.55 0.02 0.00 2.11 -0.02 -1.26 -0.21 135.00 138.19 1uup n PRO 3006Ca -0.10 0.74 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 1uup n PRO 3006Cb 0.52 -1.96 0.19 0.00 -0.02 0.00 0.00 33.50 32.23 1uup n PRO 3006CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1uup n SER 3007N -2.20 2.48 -0.62 2.55 3.41 -1.26 -3.94 113.62 114.04 1uup n SER 3007Ca 0.04 -1.79 0.08 0.00 -0.26 0.00 0.00 58.87 56.94 1uup n SER 3007Cb 0.86 0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.94 1uup n SER 3007CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uup n GLN 3008N 0.85 1.15 -3.12 4.33 10.64 0.70 -4.96 117.38 126.97 1uup n GLN 3008Ca 0.14 -1.43 -0.37 0.00 -1.83 0.00 0.00 57.00 53.52 1uup n GLN 3008Cb 0.52 -1.29 -0.06 0.00 -0.86 0.00 0.00 30.24 28.55 1uup n GLN 3008CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1uup s LEU 3009N -1.26 4.42 0.29 2.61 1.43 -1.25 -5.01 118.68 119.91 1uup s LEU 3009Ca 0.18 1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 54.40 1uup s LEU 3009Cb 0.13 -3.40 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 1uup s LEU 3009CO 0.19 0.11 1.11 -1.00 0.23 0.00 0.00 176.35 176.99 1uup s HIS 3010N -1.39 3.52 -0.16 0.29 3.76 -1.26 -5.04 115.29 115.01 1uup s HIS 3010Ca 0.39 1.68 -0.08 0.00 -0.15 0.00 0.00 55.06 56.90 1uup s HIS 3010Cb -0.18 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.16 1uup s HIS 3010CO 0.22 -0.66 0.11 1.03 -0.85 0.00 0.00 174.74 174.59 1uup s ARG 3011N -1.53 3.83 0.08 1.40 0.52 -1.26 -4.47 118.95 117.51 1uup s ARG 3011Ca 0.46 -0.23 -0.28 0.00 -0.52 0.00 0.00 55.73 55.16 1uup s ARG 3011Cb -0.32 -3.26 -0.17 0.00 0.52 0.00 0.00 34.95 31.72 1uup s ARG 3011CO 0.41 0.47 1.66 0.77 0.02 0.00 0.00 175.30 178.63 1uup h SER 3012N 6.05 -0.39 -0.13 0.23 0.02 -1.40 -2.89 113.55 115.04 1uup h SER 3012Ca -0.45 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1uup h SER 3012Cb 1.18 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1uup h SER 3012CO 0.68 -0.26 0.58 0.77 -1.14 0.00 0.00 176.83 177.45 1uup h SER 3013N -0.48 0.00 0.70 3.07 4.64 -1.88 0.38 113.55 119.98 1uup h SER 3013Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1uup h SER 3013Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1uup h SER 3013CO 0.08 0.00 -0.72 0.18 -0.87 0.00 0.00 176.83 175.49 1uup n LEU 3014N -2.94 0.65 -4.79 5.97 4.32 -1.09 -4.96 117.00 114.16 1uup n LEU 3014Ca 0.02 0.13 -0.38 0.00 -0.02 0.00 0.00 56.01 55.76 1uup n LEU 3014Cb 0.65 -0.17 -0.06 0.00 -1.62 0.00 0.00 43.42 42.22 1uup n LEU 3014CO 0.13 -0.00 0.50 -0.69 -1.22 0.00 0.00 177.39 176.11 1uup s VAL 3015N -3.15 4.39 -0.07 4.08 1.01 0.13 -4.54 120.40 122.24 1uup s VAL 3015Ca 0.06 1.60 0.01 0.00 0.00 0.00 0.00 61.98 63.65 1uup s VAL 3015Cb 0.14 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1uup s VAL 3015CO 0.74 0.33 -0.07 -1.59 0.00 0.00 0.00 175.10 174.51 1uup s LYS 3016N -1.63 2.81 -1.47 2.72 -2.85 -1.05 -4.50 119.74 113.77 1uup s LYS 3016Ca 0.42 -0.55 -0.02 0.00 -1.00 0.00 0.00 55.97 54.81 1uup s LYS 3016Cb -0.20 -2.61 0.00 0.00 -2.06 0.00 0.00 37.83 32.97 1uup s LYS 3016CO 0.24 0.63 0.28 0.09 0.10 0.00 0.00 175.35 176.69 1uup n ASN 3017N 2.33 -5.49 0.19 0.03 3.02 -1.26 -4.76 115.26 109.32 1uup n ASN 3017Ca -0.18 -0.14 0.18 0.00 -0.03 0.00 0.00 54.58 54.41 1uup n ASN 3017Cb 0.53 -4.43 0.76 0.00 -0.61 0.00 0.00 39.78 36.03 1uup n ASN 3017CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1uup h LEU 3018N -0.65 0.00 -2.60 3.41 5.85 -1.87 0.44 115.31 119.89 1uup h LEU 3018Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1uup h LEU 3018Cb 1.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 1uup h LEU 3018CO 0.51 0.00 0.02 0.06 -0.34 0.00 0.00 178.44 178.69 1uup h GLN 3019N 0.00 0.00 0.00 1.25 -0.00 -1.78 0.33 115.11 114.91 1uup h GLN 3019Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 1uup h GLN 3019Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 1uup h GLN 3019CO -0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 178.83 177.92 1uup h ASN 3020N 0.00 0.00 0.46 0.06 2.35 -1.26 0.50 115.58 117.69 1uup h ASN 3020Ca 0.01 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 1uup h ASN 3020Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1uup h ASN 3020CO -0.00 0.00 -1.55 0.40 -1.65 0.00 0.00 177.43 174.63 1uup h ILE 3021N 0.00 1.12 0.49 2.81 1.08 -0.53 -3.28 117.51 119.20 1uup h ILE 3021Ca 0.00 -2.79 -0.01 0.00 -0.39 0.00 0.00 64.86 61.67 1uup h ILE 3021Cb 0.32 2.72 -0.02 0.00 -3.07 0.00 0.00 36.82 36.76 1uup h ILE 3021CO 0.00 0.80 -0.45 0.22 -0.69 0.00 0.00 178.15 178.03 1uup h TYR 3022N 0.06 -1.23 -0.06 1.37 3.20 -0.72 -2.31 116.97 117.28 1uup h TYR 3022Ca -0.25 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.65 1uup h TYR 3022Cb 2.00 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 40.75 1uup h TYR 3022CO 0.05 -0.62 0.09 0.74 -1.64 0.00 0.00 178.16 176.79 1uup h PHE 3023N -0.94 0.00 -0.16 -3.82 -1.00 -1.15 0.12 116.94 109.99 1uup h PHE 3023Ca -0.05 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.57 1uup h PHE 3023Cb 0.82 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.37 1uup h PHE 3023CO -0.22 0.00 -0.55 -0.07 -1.61 0.00 0.00 178.31 175.86 1uup h LEU 3024N 0.00 0.55 0.00 1.54 3.38 -1.48 -3.22 115.31 116.08 1uup h LEU 3024Ca 0.03 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1uup h LEU 3024Cb 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1uup h LEU 3024CO -0.00 0.99 -1.27 -1.22 0.09 0.00 0.00 178.44 177.03 1uup n TYR 3025N -3.95 0.00 0.11 1.13 4.02 -0.36 -4.47 117.16 113.64 1uup n TYR 3025Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.63 1uup n TYR 3025Cb 0.60 -0.19 -0.15 0.00 -0.02 0.00 0.00 39.34 39.58 1uup n TYR 3025CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1uup h GLU 3026N 0.00 0.53 -7.43 -0.72 4.57 -0.95 -3.38 114.58 107.19 1uup h GLU 3026Ca 0.00 -0.82 -0.44 0.00 -1.18 0.00 0.00 59.36 56.92 1uup h GLU 3026Cb 0.57 0.29 0.16 0.00 -0.16 0.00 0.00 28.75 29.61 1uup h GLU 3026CO 0.00 1.38 0.22 0.20 -1.18 0.00 0.00 179.01 179.63 1uup s GLY 3027N -4.49 1.58 0.54 1.92 0.00 -1.22 -5.02 107.32 100.64 1uup s GLY 3027Ca -0.10 -0.62 -0.18 0.00 0.00 0.00 0.00 44.72 43.82 1uup s GLY 3027CO 0.92 0.06 1.06 0.99 0.00 0.00 0.00 173.10 176.13 1uup s ASP 3028N -3.81 6.00 0.59 1.64 1.01 -1.26 -5.01 116.67 115.83 1uup s ASP 3028Ca 0.67 1.91 -0.02 0.00 0.71 0.00 0.00 52.55 55.82 1uup s ASP 3028Cb -0.14 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.27 1uup s ASP 3028CO 0.56 -1.02 0.85 -2.16 0.21 0.00 0.00 175.17 173.61 1uup s PRO 3029N -3.62 2.50 -0.13 8.23 0.04 -1.26 -4.90 135.00 135.86 1uup s PRO 3029Ca 0.66 -0.54 -0.19 0.00 0.04 0.00 0.00 61.00 60.97 1uup s PRO 3029Cb -0.17 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1uup s PRO 3029CO 0.29 -0.85 0.52 0.08 0.04 0.00 0.00 177.00 177.08 1uup s VAL 3030N -2.92 5.15 -0.05 -0.36 1.01 -0.55 -4.95 120.40 117.74 1uup s VAL 3030Ca 0.57 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.57 1uup s VAL 3030Cb -0.10 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1uup s VAL 3030CO 0.41 0.28 0.09 0.42 0.00 0.00 0.00 175.10 176.31 1uup s THR 3031N 0.86 -0.09 0.01 3.92 -4.23 -1.26 -1.47 115.64 113.39 1uup s THR 3031Ca 0.27 0.25 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 1uup s THR 3031Cb -0.16 -0.18 -0.01 0.00 1.34 0.00 0.00 72.50 73.50 1uup s THR 3031CO 0.11 0.10 -0.06 -1.00 -0.54 0.00 0.00 174.62 173.23 1uup s HIS 3032N 1.40 0.53 -0.10 3.99 3.76 -0.57 -4.95 115.29 119.36 1uup s HIS 3032Ca -0.06 -0.22 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 1uup s HIS 3032Cb -0.12 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.21 1uup s HIS 3032CO -0.04 -0.03 -0.13 -2.00 -0.85 0.00 0.00 174.74 171.69 1uup s GLU 3033N -0.58 3.03 -0.56 1.40 2.56 -1.26 0.21 118.70 123.50 1uup s GLU 3033Ca -0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 54.97 54.08 1uup s GLU 3033Cb -0.05 -2.55 0.03 0.00 2.00 0.00 0.00 34.13 33.57 1uup s GLU 3033CO -0.00 0.40 0.64 -1.71 -0.56 0.00 0.00 175.26 174.03 1uup n ASN 3034N 2.99 -6.40 -4.18 -1.70 4.05 -0.75 -4.95 115.26 104.33 1uup n ASN 3034Ca -0.18 -0.11 -0.11 0.00 0.45 0.00 0.00 54.58 54.64 1uup n ASN 3034Cb 0.53 -3.24 -0.10 0.00 1.23 0.00 0.00 39.78 38.19 1uup n ASN 3034CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1uup s VAL 3035N -2.30 0.48 -0.05 3.44 -7.23 0.24 -4.83 120.40 110.14 1uup s VAL 3035Ca 0.22 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 1uup s VAL 3035Cb -0.04 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 35.03 1uup s VAL 3035CO 0.83 -0.67 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.10 1uup s LYS 3036N -3.92 1.40 0.79 4.82 2.20 -1.26 0.30 119.74 124.06 1uup s LYS 3036Ca 0.18 -0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 55.27 1uup s LYS 3036Cb 0.06 -1.21 -0.07 0.00 -1.51 0.00 0.00 37.83 35.11 1uup s LYS 3036CO -0.01 0.05 0.12 -1.13 -0.36 0.00 0.00 175.35 174.03 1uup n SER 3037N 3.65 -2.77 0.00 1.43 3.41 -1.24 -4.71 113.62 113.40 1uup n SER 3037Ca -0.22 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1uup n SER 3037Cb 0.52 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1uup n SER 3037CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1uup n VAL 3038N -2.49 0.00 -3.98 -3.33 3.14 0.13 -4.95 118.33 106.85 1uup n VAL 3038Ca 0.07 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.32 1uup n VAL 3038Cb 0.51 0.20 -0.02 0.00 -1.06 0.00 0.00 33.84 33.48 1uup n VAL 3038CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1uup n ASP 3039N -0.76 -1.54 -3.64 6.55 2.03 -1.05 -5.00 116.55 113.15 1uup n ASP 3039Ca 0.00 -2.78 -0.14 0.00 0.52 0.00 0.00 54.79 52.39 1uup n ASP 3039Cb 0.01 2.77 -0.07 0.00 -0.72 0.00 0.00 41.12 43.11 1uup n ASP 3039CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1uup s GLN 3040N -2.62 0.79 -0.19 -0.67 0.74 -1.26 -0.59 119.66 115.86 1uup s GLN 3040Ca 0.25 0.89 -0.17 0.00 0.05 0.00 0.00 55.36 56.38 1uup s GLN 3040Cb -0.02 0.39 -0.07 0.00 1.10 0.00 0.00 33.01 34.41 1uup s GLN 3040CO 0.18 -0.10 -0.34 -0.11 -0.55 0.00 0.00 175.29 174.37 1uup n LEU 3041N 2.62 1.94 -4.52 3.68 7.94 -1.26 -4.99 117.00 122.41 1uup n LEU 3041Ca -0.14 0.35 -0.27 0.00 -1.11 0.00 0.00 56.01 54.83 1uup n LEU 3041Cb 0.55 -0.76 -0.10 0.00 0.53 0.00 0.00 43.42 43.64 1uup n LEU 3041CO 0.06 -0.14 -0.45 -0.76 -1.11 0.00 0.00 177.39 174.99 1uup s LEU 3042N -7.86 2.81 0.39 -1.96 1.43 -1.26 -5.03 118.68 107.20 1uup s LEU 3042Ca -0.30 -0.64 0.17 0.00 -1.03 0.00 0.00 54.13 52.34 1uup s LEU 3042Cb 0.06 -1.53 1.08 0.00 0.03 0.00 0.00 46.19 45.83 1uup s LEU 3042CO 0.43 0.12 1.76 0.28 0.23 0.00 0.00 176.35 179.17 1uup h SER 3043N 3.11 0.47 -0.05 2.29 0.02 -1.99 -1.55 113.55 115.84 1uup h SER 3043Ca -0.47 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1uup h SER 3043Cb 1.20 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1uup h SER 3043CO 0.52 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 176.29 1uup n HIS 3044N -4.67 0.06 -4.59 3.45 1.44 -1.26 -4.38 115.22 105.27 1uup n HIS 3044Ca 0.26 -0.03 -0.31 0.00 -2.01 0.00 0.00 57.72 55.62 1uup n HIS 3044Cb 0.88 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.92 1uup n HIS 3044CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1uup s ASP 3045N -1.65 4.21 -0.08 4.39 1.47 -0.59 -1.68 116.67 122.74 1uup s ASP 3045Ca 0.32 -1.56 -0.10 0.00 1.18 0.00 0.00 52.55 52.38 1uup s ASP 3045Cb 0.16 0.45 0.02 0.00 -0.34 0.00 0.00 42.92 43.21 1uup s ASP 3045CO 0.25 -0.87 0.28 -0.76 0.68 0.00 0.00 175.17 174.75 1uup s LEU 3046N -3.94 0.96 -0.17 2.11 1.43 -0.87 -4.69 118.68 113.51 1uup s LEU 3046Ca 0.12 0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1uup s LEU 3046Cb 0.01 1.00 -0.02 0.00 0.03 0.00 0.00 46.19 47.22 1uup s LEU 3046CO 0.07 -0.18 -0.07 -0.63 0.23 0.00 0.00 176.35 175.77 1uup s ILE 3047N -0.21 3.38 -0.08 -0.59 -1.09 0.25 -2.23 121.20 120.63 1uup s ILE 3047Ca -0.03 -0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1uup s ILE 3047Cb -0.03 -2.48 -0.03 0.00 -1.58 0.00 0.00 42.46 38.34 1uup s ILE 3047CO 0.01 0.48 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.84 1uup s TYR 3048N 0.76 2.99 -1.28 3.97 1.51 0.02 0.23 117.35 125.55 1uup s TYR 3048Ca -0.03 0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.94 1uup s TYR 3048Cb -0.15 -1.75 0.15 0.00 -0.11 0.00 0.00 41.96 40.10 1uup s TYR 3048CO 0.02 0.32 1.79 -1.71 -1.11 0.00 0.00 175.55 174.86 1uup n ASN 3049N 2.33 4.99 -4.26 2.29 4.05 -1.26 -1.77 115.26 121.64 1uup n ASN 3049Ca -0.18 -3.04 -0.15 0.00 0.45 0.00 0.00 54.58 51.67 1uup n ASN 3049Cb 0.53 -1.53 -0.10 0.00 1.23 0.00 0.00 39.78 39.90 1uup n ASN 3049CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1uup s VAL 3050N 1.17 1.12 0.14 3.44 -7.23 -1.14 -5.01 120.40 112.88 1uup s VAL 3050Ca 0.42 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.60 1uup s VAL 3050Cb 0.07 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1uup s VAL 3050CO -0.00 -0.67 -0.15 -0.94 -0.31 0.00 0.00 175.10 173.03 1uup s SER 3051N -3.19 2.20 0.34 4.85 1.04 -1.26 -2.98 113.70 114.70 1uup s SER 3051Ca 0.19 -0.84 -0.00 0.00 0.48 0.00 0.00 55.95 55.78 1uup s SER 3051Cb 0.03 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.06 1uup s SER 3051CO 0.02 -0.12 0.43 -0.83 0.98 0.00 0.00 173.24 173.72 1uup s GLY 3052N -2.57 1.68 0.35 7.32 0.00 -0.40 -4.95 107.32 108.75 1uup s GLY 3052Ca 0.12 -1.65 0.15 0.00 0.00 0.00 0.00 44.72 43.34 1uup s GLY 3052CO 0.04 -1.10 1.61 -2.55 0.00 0.00 0.00 173.10 171.10 1uup h PRO 3053N 2.11 0.13 -0.07 2.90 0.11 -2.01 -1.97 132.00 133.20 1uup h PRO 3053Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1uup h PRO 3053Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1uup h PRO 3053CO 0.38 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.35 1uup n ASN 3054N -5.21 2.51 -3.89 -2.05 3.02 -1.26 -5.06 115.26 103.32 1uup n ASN 3054Ca 0.33 -2.63 -0.09 0.00 -0.03 0.00 0.00 54.58 52.15 1uup n ASN 3054Cb 1.07 -0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.87 1uup n ASN 3054CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1uup s TYR 3055N -2.10 0.15 -0.08 3.10 -0.85 -0.74 -4.62 117.35 112.21 1uup s TYR 3055Ca 0.23 -0.47 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 1uup s TYR 3055Cb 0.19 -0.09 -0.08 0.00 0.38 0.00 0.00 41.96 42.35 1uup s TYR 3055CO 0.04 -0.43 -0.01 -0.25 -1.52 0.00 0.00 175.55 173.37 1uup n ASP 3056N 0.49 3.26 -4.23 -0.18 10.43 0.38 -1.27 116.55 125.43 1uup n ASP 3056Ca -0.18 -0.02 -0.25 0.00 2.57 0.00 0.00 54.79 56.92 1uup n ASP 3056Cb 0.60 0.37 -0.14 0.00 1.84 0.00 0.00 41.12 43.78 1uup n ASP 3056CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1uup s LYS 3057N -2.18 1.37 -0.06 -1.24 1.02 -1.13 -2.90 119.74 114.62 1uup s LYS 3057Ca -0.07 -0.87 0.05 0.00 0.02 0.00 0.00 55.97 55.11 1uup s LYS 3057Cb 0.03 -1.44 -0.01 0.00 -0.52 0.00 0.00 37.83 35.89 1uup s LYS 3057CO 0.26 0.37 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.67 1uup s LEU 3058N -1.02 2.01 -0.14 3.17 2.96 -0.73 -0.73 118.68 124.20 1uup s LEU 3058Ca 0.07 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1uup s LEU 3058Cb -0.08 -1.24 0.03 0.00 0.50 0.00 0.00 46.19 45.39 1uup s LEU 3058CO 0.01 0.20 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.38 1uup s LYS 3059N 0.02 1.89 -0.12 1.98 2.20 0.25 -0.80 119.74 125.16 1uup s LYS 3059Ca -0.07 -0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 1uup s LYS 3059Cb -0.14 -1.92 -0.03 0.00 -1.51 0.00 0.00 37.83 34.23 1uup s LYS 3059CO 0.04 -0.28 0.00 -0.08 -0.36 0.00 0.00 175.35 174.67 1uup s THR 3060N 1.58 4.31 -0.27 3.43 -1.32 -0.95 -1.76 115.64 120.67 1uup s THR 3060Ca 0.04 -0.23 -0.11 0.00 -1.21 0.00 0.00 61.69 60.18 1uup s THR 3060Cb -0.13 -2.85 -0.05 0.00 -1.51 0.00 0.00 72.50 67.96 1uup s THR 3060CO -0.09 0.55 0.21 -0.70 -2.21 0.00 0.00 174.62 172.38 1uup s GLU 3061N -0.37 3.98 0.15 7.08 2.12 -0.59 -2.05 118.70 129.02 1uup s GLU 3061Ca 0.07 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.15 1uup s GLU 3061Cb -0.12 -3.63 0.03 0.00 0.26 0.00 0.00 34.13 30.66 1uup s GLU 3061CO 0.02 -0.14 0.21 1.28 -0.54 0.00 0.00 175.26 176.09 1uup n LEU 3062N 4.93 0.00 -0.13 2.70 4.77 -0.68 -1.31 117.00 127.28 1uup n LEU 3062Ca -0.14 -0.54 -0.09 0.00 -0.03 0.00 0.00 56.01 55.22 1uup n LEU 3062Cb 0.52 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1uup n LEU 3062CO 0.34 -0.58 0.93 0.50 -1.33 0.00 0.00 177.39 177.25 1uup h LYS 3063N 0.00 0.57 0.00 3.23 3.64 -1.66 -3.46 116.57 118.90 1uup h LYS 3063Ca -0.07 -0.10 0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1uup h LYS 3063Cb 0.29 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1uup h LYS 3063CO 0.09 0.53 0.41 0.27 -2.27 0.00 0.00 179.45 178.47 1uup n ASN 3064N -4.68 -1.49 -0.13 4.20 2.04 -1.26 -5.00 115.26 108.95 1uup n ASN 3064Ca -0.00 -1.85 -0.05 0.00 -0.44 0.00 0.00 54.58 52.23 1uup n ASN 3064Cb 0.13 2.43 0.13 0.00 -2.53 0.00 0.00 39.78 39.95 1uup n ASN 3064CO 0.00 0.00 0.00 0.06 -0.44 0.00 0.00 177.26 176.88 1uup h GLN 3065N 0.00 0.84 -0.97 -3.83 3.07 -1.84 -2.29 115.11 110.09 1uup h GLN 3065Ca -0.23 -0.24 0.16 0.00 0.09 0.00 0.00 58.65 58.43 1uup h GLN 3065Cb 0.96 -0.09 -0.09 0.00 0.08 0.00 0.00 27.48 28.34 1uup h GLN 3065CO 0.30 0.85 0.61 0.93 0.09 0.00 0.00 178.83 181.61 1uup h GLU 3066N 0.78 0.76 -0.18 0.06 3.07 -1.97 0.89 114.58 117.99 1uup h GLU 3066Ca 0.15 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.78 1uup h GLU 3066Cb 0.49 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1uup h GLU 3066CO 0.02 0.50 -0.62 1.98 -1.40 0.00 0.00 179.01 179.50 1uup h MET 3067N 0.78 0.64 0.09 2.33 4.05 -1.82 -1.70 114.93 119.29 1uup h MET 3067Ca 0.51 -0.44 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1uup h MET 3067Cb 0.77 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 1uup h MET 3067CO -0.28 1.06 -0.04 0.00 0.23 0.00 0.00 176.91 177.87 1uup h ALA 3068N 0.84 -0.12 0.00 0.39 0.00 -0.73 -2.56 119.26 117.09 1uup h ALA 3068Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uup h ALA 3068Cb 1.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1uup h ALA 3068CO 0.12 -0.43 -0.06 1.79 0.00 0.00 0.00 179.25 180.67 1uup h THR 3069N -0.39 0.24 0.00 0.00 1.35 -0.95 1.13 112.91 114.29 1uup h THR 3069Ca -0.01 -0.48 -0.06 0.00 -0.55 0.00 0.00 66.41 65.31 1uup h THR 3069Cb 0.33 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1uup h THR 3069CO 0.02 0.06 -0.30 0.25 -0.25 0.00 0.00 175.52 175.30 1uup h LEU 3070N 0.00 0.00 0.00 3.87 5.85 -0.92 -3.21 115.31 120.90 1uup h LEU 3070Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1uup h LEU 3070Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1uup h LEU 3070CO 0.01 0.30 -0.42 0.49 -0.34 0.00 0.00 178.44 178.48 1uup n PHE 3071N -3.59 0.00 -0.28 1.25 0.99 -0.39 -4.70 117.46 110.75 1uup n PHE 3071Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.40 1uup n PHE 3071Cb 0.43 -0.01 0.01 0.00 -1.00 0.00 0.00 39.48 38.90 1uup n PHE 3071CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1uup h LYS 3072N 0.00 -0.11 -0.46 -1.08 3.64 0.13 -1.92 116.57 116.77 1uup h LYS 3072Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1uup h LYS 3072Cb 0.19 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1uup h LYS 3072CO 0.00 -0.07 0.00 -0.25 -2.27 0.00 0.00 179.45 176.86 1uup n ASP 3073N -5.44 3.57 -4.86 4.20 8.00 -1.26 -3.61 116.55 117.15 1uup n ASP 3073Ca 0.06 -2.00 -0.31 0.00 0.71 0.00 0.00 54.79 53.25 1uup n ASP 3073Cb 0.37 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 1uup n ASP 3073CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1uup s LYS 3074N -1.41 3.89 -0.34 -1.24 1.02 -0.72 -4.99 119.74 115.95 1uup s LYS 3074Ca 0.41 0.69 -0.23 0.00 0.02 0.00 0.00 55.97 56.86 1uup s LYS 3074Cb 0.23 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1uup s LYS 3074CO 0.32 -0.08 0.76 -0.80 -0.92 0.00 0.00 175.35 174.63 1uup s ASN 3075N -2.95 6.57 0.42 2.83 0.01 -1.26 -4.43 114.94 116.13 1uup s ASN 3075Ca 0.55 0.44 0.06 0.00 -0.71 0.00 0.00 52.86 53.20 1uup s ASN 3075Cb -0.10 -2.39 -0.06 0.00 0.41 0.00 0.00 41.25 39.10 1uup s ASN 3075CO 0.28 -0.67 0.02 0.68 -1.51 0.00 0.00 177.10 175.90 1uup s VAL 3076N 2.99 1.72 0.17 1.60 -7.23 0.15 -1.21 120.40 118.59 1uup s VAL 3076Ca 0.31 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.58 1uup s VAL 3076Cb -0.14 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 1uup s VAL 3076CO 0.15 0.00 -0.20 -1.81 -0.31 0.00 0.00 175.10 172.93 1uup s ASP 3077N -3.71 3.69 -0.02 4.85 1.01 -0.54 0.80 116.67 122.74 1uup s ASP 3077Ca 0.30 -0.74 0.04 0.00 0.71 0.00 0.00 52.55 52.86 1uup s ASP 3077Cb 0.08 -0.41 -0.01 0.00 1.01 0.00 0.00 42.92 43.60 1uup s ASP 3077CO 0.15 0.13 -0.15 -0.63 0.21 0.00 0.00 175.17 174.88 1uup s ILE 3078N -1.55 1.17 -0.27 0.77 1.01 0.13 -2.90 121.20 119.55 1uup s ILE 3078Ca 0.21 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1uup s ILE 3078Cb -0.09 -0.99 0.13 0.00 0.01 0.00 0.00 42.46 41.53 1uup s ILE 3078CO 0.11 0.34 0.30 -0.47 0.00 0.00 0.00 174.94 175.21 1uup s TYR 3079N -0.22 -0.51 0.04 3.97 5.04 -0.64 -1.50 117.35 123.52 1uup s TYR 3079Ca 0.03 0.02 -0.10 0.00 -2.44 0.00 0.00 57.07 54.59 1uup s TYR 3079Cb -0.07 -0.38 0.00 0.00 0.35 0.00 0.00 41.96 41.87 1uup s TYR 3079CO 0.00 -0.86 0.20 0.20 -1.34 0.00 0.00 175.55 173.75 1uup s GLY 3080N 2.39 0.03 -0.49 8.97 0.00 -0.54 -4.32 107.32 113.35 1uup s GLY 3080Ca 0.09 -0.27 -0.22 0.00 0.00 0.00 0.00 44.72 44.32 1uup s GLY 3080CO -0.28 -0.45 0.76 0.14 0.00 0.00 0.00 173.10 173.27 1uup s VAL 3081N -2.56 4.67 0.31 1.40 1.01 -1.26 -1.48 120.40 122.49 1uup s VAL 3081Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1uup s VAL 3081Cb -0.01 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1uup s VAL 3081CO -0.04 -0.84 0.55 -1.83 0.00 0.00 0.00 175.10 172.95 1uup s GLU 3082N 3.22 3.57 0.10 2.72 1.03 -1.26 -4.57 118.70 123.50 1uup s GLU 3082Ca 0.25 -0.13 0.02 0.00 0.03 0.00 0.00 54.97 55.14 1uup s GLU 3082Cb -0.14 -2.65 -0.04 0.00 -0.80 0.00 0.00 34.13 30.49 1uup s GLU 3082CO 0.18 0.18 -0.06 1.52 -1.33 0.00 0.00 175.26 175.75 1uup s TYR 3083N -2.19 0.90 0.00 4.83 -0.85 -0.01 -4.94 117.35 115.09 1uup s TYR 3083Ca 0.42 -0.92 0.00 0.00 -0.52 0.00 0.00 57.07 56.05 1uup s TYR 3083Cb -0.10 -0.52 0.00 0.00 0.38 0.00 0.00 41.96 41.72 1uup s TYR 3083CO 0.33 -0.15 0.00 0.66 -1.52 0.00 0.00 175.55 174.87 1uup n TYR 3084N -0.05 0.00 -2.34 -3.49 4.02 -1.26 -2.08 117.16 111.97 1uup n TYR 3084Ca -0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.34 1uup n TYR 3084Cb 0.61 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.91 1uup n TYR 3084CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1uup s HIS 3085N -1.78 2.58 -0.16 -0.72 2.46 -1.26 -2.86 115.29 113.54 1uup s HIS 3085Ca 0.00 0.81 -0.01 0.00 0.47 0.00 0.00 55.06 56.33 1uup s HIS 3085Cb 0.00 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 28.66 1uup s HIS 3085CO 0.00 -2.09 0.13 1.28 -2.47 0.00 0.00 174.74 171.60 1uup n LEU 3086N 7.41 -2.09 -3.68 8.88 4.32 -1.26 -4.74 117.00 125.84 1uup n LEU 3086Ca 0.15 -0.06 -0.29 0.00 -0.02 0.00 0.00 56.01 55.80 1uup n LEU 3086Cb 0.45 -0.80 -0.12 0.00 -1.62 0.00 0.00 43.42 41.33 1uup n LEU 3086CO 0.61 0.07 -0.22 0.00 -1.22 0.00 0.00 177.39 176.63 1uup s TYR 3088N -0.06 -0.49 -0.17 0.00 1.13 -1.26 -4.75 117.35 111.75 1uup s TYR 3088Ca 0.22 0.51 0.20 0.00 -1.41 0.00 0.00 57.07 56.60 1uup s TYR 3088Cb -0.14 0.41 -0.09 0.00 -1.10 0.00 0.00 41.96 41.04 1uup s TYR 3088CO -0.07 -0.70 0.88 1.28 -2.51 0.00 0.00 175.55 174.42 1uup n LEU 3089N 0.23 0.74 0.00 -3.49 4.32 -1.26 -5.06 117.00 112.47 1uup n LEU 3089Ca -0.18 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1uup n LEU 3089Cb 0.61 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 1uup n LEU 3089CO 0.18 -0.04 0.00 0.00 -1.22 0.00 0.00 177.39 176.31 1uup n GLU 3091N 0.00 2.97 0.00 0.00 1.02 -1.26 -4.19 120.64 119.18 1uup n GLU 3091Ca 0.00 -2.42 0.10 0.00 -0.02 0.00 0.00 57.16 54.81 1uup n GLU 3091Cb 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 29.96 1uup n GLU 3091CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1uup n ASN 3092N 0.84 2.19 -3.70 1.62 6.94 -1.26 -4.79 115.26 117.09 1uup n ASN 3092Ca 0.18 -1.59 -0.28 0.00 -0.02 0.00 0.00 54.58 52.87 1uup n ASN 3092Cb 0.59 0.26 -0.16 0.00 -2.36 0.00 0.00 39.78 38.11 1uup n ASN 3092CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1uup s ALA 3093N -1.92 0.94 -0.90 -2.53 0.00 -1.26 -5.02 121.76 111.07 1uup s ALA 3093Ca 0.19 -0.74 0.14 0.00 0.00 0.00 0.00 51.96 51.55 1uup s ALA 3093Cb 0.16 -1.21 -0.11 0.00 0.00 0.00 0.00 23.12 21.96 1uup s ALA 3093CO 0.37 -1.25 0.67 0.39 0.00 0.00 0.00 175.76 175.95 1uup n GLU 3094N 5.08 2.12 -3.15 0.00 1.02 -1.26 -4.61 120.64 119.84 1uup n GLU 3094Ca -0.08 -0.25 -0.23 0.00 -0.02 0.00 0.00 57.16 56.58 1uup n GLU 3094Cb 0.47 -1.19 -0.05 0.00 -0.02 0.00 0.00 31.44 30.65 1uup n GLU 3094CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1uup n ARG 3095N -0.95 1.80 -4.15 3.49 1.74 -1.26 -5.09 116.66 112.24 1uup n ARG 3095Ca 0.04 -3.96 -0.27 0.00 -0.77 0.00 0.00 57.85 52.89 1uup n ARG 3095Cb 0.25 -1.85 -0.07 0.00 -1.02 0.00 0.00 32.46 29.78 1uup n ARG 3095CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1uup s SER 3096N -2.53 5.10 0.03 0.55 0.01 -1.26 -0.47 113.70 115.13 1uup s SER 3096Ca 0.42 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.48 1uup s SER 3096Cb 0.27 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 1uup s SER 3096CO -0.09 0.09 -0.18 0.00 0.41 0.00 0.00 173.24 173.46 1uup s ALA 3097N -1.69 1.56 0.02 1.44 0.00 0.09 -4.87 121.76 118.31 1uup s ALA 3097Ca 0.29 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1uup s ALA 3097Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1uup s ALA 3097CO 0.20 0.35 -0.25 0.00 0.00 0.00 0.00 175.76 176.06 1uup s ILE 3099N -0.72 0.03 -0.09 0.00 -4.36 -0.72 -0.83 121.20 114.52 1uup s ILE 3099Ca 0.10 -1.53 0.01 0.00 -0.26 0.00 0.00 60.65 58.98 1uup s ILE 3099Cb -0.10 -2.09 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 1uup s ILE 3099CO 0.01 -0.15 -0.10 -0.31 0.24 0.00 0.00 174.94 174.63 1uup s TYR 3100N -4.02 2.86 0.00 1.37 1.51 -1.26 -1.54 117.35 116.26 1uup s TYR 3100Ca 0.23 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 1uup s TYR 3100Cb 0.03 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1uup s TYR 3100CO 0.05 0.14 0.00 0.41 -1.11 0.00 0.00 175.55 175.04 1uup n GLY 3101N 2.66 3.52 2.90 0.71 0.00 -0.43 -4.52 105.19 110.03 1uup n GLY 3101Ca -0.18 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1uup n GLY 3101CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uup n GLY 3102N 0.00 -0.35 3.04 -0.02 0.00 -1.26 -4.82 105.19 101.77 1uup n GLY 3102Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1uup n GLY 3102CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uup s VAL 3103N -3.12 1.08 0.03 1.61 1.01 -1.26 -1.63 120.40 118.12 1uup s VAL 3103Ca 0.29 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1uup s VAL 3103Cb -0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1uup s VAL 3103CO 0.36 0.33 0.03 0.42 0.00 0.00 0.00 175.10 176.25 1uup s THR 3104N 0.43 0.13 0.22 3.92 -4.23 -1.14 -4.95 115.64 110.01 1uup s THR 3104Ca -0.09 -1.10 -0.30 0.00 -1.18 0.00 0.00 61.69 59.01 1uup s THR 3104Cb -0.13 -0.70 -0.10 0.00 1.34 0.00 0.00 72.50 72.92 1uup s THR 3104CO 0.02 -0.61 1.43 0.20 -0.54 0.00 0.00 174.62 175.13 1uup s ASN 3105N -1.91 6.70 -0.08 3.99 0.01 -1.26 -1.47 114.94 120.92 1uup s ASN 3105Ca -0.08 2.59 -0.16 0.00 -0.71 0.00 0.00 52.86 54.49 1uup s ASN 3105Cb -0.04 -2.61 -0.13 0.00 0.41 0.00 0.00 41.25 38.88 1uup s ASN 3105CO -0.03 -0.68 0.61 -0.74 -1.51 0.00 0.00 177.10 174.74 1uup h HIS 3106N 5.45 -0.16 -1.17 2.20 -0.00 -1.44 -3.43 115.15 116.61 1uup h HIS 3106Ca -0.45 -0.00 -0.81 0.00 -0.00 0.00 0.00 60.37 59.10 1uup h HIS 3106Cb 1.21 0.05 0.02 0.00 -0.00 0.00 0.00 27.41 28.70 1uup h HIS 3106CO 0.61 0.23 0.56 0.39 -0.00 0.00 0.00 177.93 179.73 1uup n GLU 3107N -4.86 0.34 -3.97 5.26 4.71 -1.26 -2.50 120.64 118.35 1uup n GLU 3107Ca -0.06 0.12 -0.30 0.00 -0.01 0.00 0.00 57.16 56.91 1uup n GLU 3107Cb 0.23 -1.67 -0.02 0.00 -1.01 0.00 0.00 31.44 28.97 1uup n GLU 3107CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uup n GLY 3108N 3.31 -0.43 0.00 0.62 0.00 -1.26 -4.88 105.19 102.55 1uup n GLY 3108Ca 0.26 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1uup n GLY 3108CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uup n ASN 3109N -2.81 0.98 -4.79 1.61 4.05 -1.04 -5.02 115.26 108.24 1uup n ASN 3109Ca -0.25 -1.48 -0.31 0.00 0.45 0.00 0.00 54.58 53.00 1uup n ASN 3109Cb 0.66 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.60 1uup n ASN 3109CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1uup s HIS 3110N -0.48 3.22 0.14 1.20 3.76 -1.26 -0.88 115.29 120.99 1uup s HIS 3110Ca 0.00 0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 54.99 1uup s HIS 3110Cb 0.00 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 1uup s HIS 3110CO 0.00 0.53 0.32 -0.51 -0.85 0.00 0.00 174.74 174.23 1uup s LEU 3111N -2.39 4.29 0.23 0.89 1.43 -0.29 -4.90 118.68 117.95 1uup s LEU 3111Ca 0.30 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1uup s LEU 3111Cb -0.12 -3.12 0.24 0.00 0.03 0.00 0.00 46.19 43.23 1uup s LEU 3111CO 0.22 0.05 1.69 -0.33 0.23 0.00 0.00 176.35 178.22 1uup h GLU 3112N 2.54 0.82 -5.01 1.70 4.39 -2.00 -3.43 114.58 113.58 1uup h GLU 3112Ca -0.47 -0.27 -0.41 0.00 0.34 0.00 0.00 59.36 58.56 1uup h GLU 3112Cb 1.18 -0.07 -0.26 0.00 -0.10 0.00 0.00 28.75 29.50 1uup h GLU 3112CO 0.72 0.88 -0.78 0.42 -1.16 0.00 0.00 179.01 179.08 1uup s ILE 3113N -4.84 0.89 0.20 3.13 1.01 -1.26 -5.12 121.20 115.22 1uup s ILE 3113Ca -0.10 -0.78 -0.32 0.00 0.00 0.00 0.00 60.65 59.45 1uup s ILE 3113Cb 0.14 -0.81 -0.12 0.00 0.01 0.00 0.00 42.46 41.68 1uup s ILE 3113CO 0.83 0.03 1.70 -2.65 0.00 0.00 0.00 174.94 174.85 1uup n PRO 3114N 2.21 2.68 -2.87 2.79 -0.02 -1.26 -4.96 135.00 133.57 1uup n PRO 3114Ca -0.17 0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 1uup n PRO 3114Cb 0.55 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.19 1uup n PRO 3114CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1uup s LYS 3115N 1.12 4.15 0.17 -0.52 2.47 -0.74 -4.85 119.74 121.53 1uup s LYS 3115Ca 0.76 0.92 -0.17 0.00 -1.56 0.00 0.00 55.97 55.91 1uup s LYS 3115Cb -0.53 -3.66 -0.07 0.00 -1.46 0.00 0.00 37.83 32.10 1uup s LYS 3115CO 0.33 -0.57 0.63 0.15 0.16 0.00 0.00 175.35 176.06 1uup s LYS 3116N 2.92 4.14 -0.03 4.03 1.02 -1.26 -2.33 119.74 128.22 1uup s LYS 3116Ca 0.35 0.70 0.03 0.00 0.02 0.00 0.00 55.97 57.07 1uup s LYS 3116Cb -0.15 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1uup s LYS 3116CO 0.08 0.47 -0.11 0.42 -0.92 0.00 0.00 175.35 175.29 1uup s ILE 3117N -1.43 0.96 0.18 2.17 1.01 -0.72 -4.97 121.20 118.41 1uup s ILE 3117Ca 0.39 -0.45 -0.27 0.00 0.00 0.00 0.00 60.65 60.31 1uup s ILE 3117Cb -0.16 -0.85 -0.08 0.00 0.01 0.00 0.00 42.46 41.37 1uup s ILE 3117CO 0.20 0.30 0.85 -0.69 0.00 0.00 0.00 174.94 175.59 1uup s VAL 3118N 0.22 4.29 -0.29 2.92 1.01 -1.26 -2.55 120.40 124.73 1uup s VAL 3118Ca -0.04 1.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.78 1uup s VAL 3118Cb -0.10 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.11 1uup s VAL 3118CO 0.01 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 174.91 1uup s VAL 3119N -1.03 3.02 -0.41 2.92 1.01 0.11 -4.20 120.40 121.83 1uup s VAL 3119Ca 0.38 -1.29 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 1uup s VAL 3119Cb -0.24 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1uup s VAL 3119CO 0.28 -0.05 0.65 -0.54 0.00 0.00 0.00 175.10 175.44 1uup s LYS 3120N 1.28 3.45 -0.18 2.72 1.02 -1.13 -2.53 119.74 124.36 1uup s LYS 3120Ca -0.04 -0.19 -0.07 0.00 0.02 0.00 0.00 55.97 55.69 1uup s LYS 3120Cb -0.19 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 1uup s LYS 3120CO -0.01 -0.90 0.05 0.08 -0.92 0.00 0.00 175.35 173.64 1uup s VAL 3121N 2.80 4.66 0.12 3.17 1.01 -0.03 -1.26 120.40 130.88 1uup s VAL 3121Ca 0.24 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.24 1uup s VAL 3121Cb -0.14 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1uup s VAL 3121CO 0.18 0.45 -0.23 -0.94 0.00 0.00 0.00 175.10 174.56 1uup s SER 3122N 0.46 3.58 -0.04 3.32 1.04 -0.20 -0.71 113.70 121.15 1uup s SER 3122Ca 0.02 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.82 1uup s SER 3122Cb -0.13 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1uup s SER 3122CO 0.01 0.18 -0.11 -0.63 0.98 0.00 0.00 173.24 173.67 1uup s ILE 3123N -1.10 0.97 -1.67 -1.02 1.01 -0.61 -0.60 121.20 118.18 1uup s ILE 3123Ca 0.16 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.21 1uup s ILE 3123Cb -0.10 -0.86 0.14 0.00 0.01 0.00 0.00 42.46 41.64 1uup s ILE 3123CO 0.08 0.30 0.71 0.47 0.00 0.00 0.00 174.94 176.50 1uup n ASP 3124N 3.41 -2.77 -3.01 3.58 8.00 0.35 -1.38 116.55 124.73 1uup n ASP 3124Ca -0.20 -1.02 -0.13 0.00 0.71 0.00 0.00 54.79 54.15 1uup n ASP 3124Cb 0.53 -2.74 0.06 0.00 -0.02 0.00 0.00 41.12 38.96 1uup n ASP 3124CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uup n GLY 3125N -1.50 -0.81 3.25 0.44 0.00 -1.26 -5.04 105.19 100.27 1uup n GLY 3125Ca 0.02 0.42 0.03 0.00 0.00 0.00 0.00 46.02 46.49 1uup n GLY 3125CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uup s ILE 3126N -3.33 -0.72 -0.49 -0.61 1.01 -0.48 -5.10 121.20 111.48 1uup s ILE 3126Ca 0.36 0.00 -0.44 0.00 0.00 0.00 0.00 60.65 60.56 1uup s ILE 3126Cb -0.05 -1.00 -0.19 0.00 0.01 0.00 0.00 42.46 41.23 1uup s ILE 3126CO 0.63 0.00 2.04 1.67 0.00 0.00 0.00 174.94 179.28 1uup n GLN 3127N 5.38 0.04 -0.10 2.79 -0.06 -1.26 -1.58 117.38 122.58 1uup n GLN 3127Ca -0.05 0.01 -0.19 0.00 -2.00 0.00 0.00 57.00 54.77 1uup n GLN 3127Cb 0.52 -1.53 -0.08 0.00 -4.06 0.00 0.00 30.24 25.09 1uup n GLN 3127CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1uup n SER 3128N 6.90 1.79 -3.65 1.69 2.88 0.11 -4.88 113.62 118.46 1uup n SER 3128Ca 0.50 0.13 -0.10 0.00 -1.33 0.00 0.00 58.87 58.07 1uup n SER 3128Cb -0.04 -0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 62.89 1uup n SER 3128CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1uup s LEU 3129N -6.76 0.19 -0.01 2.46 2.34 -0.93 -5.05 118.68 110.91 1uup s LEU 3129Ca -0.27 -0.35 0.00 0.00 0.06 0.00 0.00 54.13 53.57 1uup s LEU 3129Cb 0.09 2.02 0.01 0.00 -0.56 0.00 0.00 46.19 47.75 1uup s LEU 3129CO 0.38 -0.93 0.01 -0.44 -1.06 0.00 0.00 176.35 174.30 1uup s SER 3130N -2.82 0.08 0.12 1.48 0.01 -1.26 -0.85 113.70 110.46 1uup s SER 3130Ca 0.05 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 1uup s SER 3130Cb 0.01 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 1uup s SER 3130CO -0.09 -0.04 0.13 0.72 0.41 0.00 0.00 173.24 174.37 1uup s PHE 3131N 0.39 0.57 0.12 2.43 -0.12 -1.05 -4.96 117.98 115.35 1uup s PHE 3131Ca -0.03 -0.98 0.04 0.00 -0.05 0.00 0.00 56.93 55.91 1uup s PHE 3131Cb -0.05 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.02 1uup s PHE 3131CO -0.01 -0.56 0.10 -0.51 -0.05 0.00 0.00 175.22 174.20 1uup s ASP 3132N -2.98 5.53 0.28 1.98 -0.00 -1.26 -0.71 116.67 119.51 1uup s ASP 3132Ca 0.17 -0.06 0.02 0.00 -0.00 0.00 0.00 52.55 52.68 1uup s ASP 3132Cb 0.06 -1.47 -0.06 0.00 -0.00 0.00 0.00 42.92 41.46 1uup s ASP 3132CO -0.02 0.13 0.08 0.27 -0.00 0.00 0.00 175.17 175.62 1uup s ILE 3133N -1.55 0.80 0.09 0.77 -4.36 -1.06 -4.96 121.20 110.94 1uup s ILE 3133Ca 0.30 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.59 1uup s ILE 3133Cb -0.11 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.91 1uup s ILE 3133CO 0.23 -0.01 0.22 -1.83 0.24 0.00 0.00 174.94 173.79 1uup s GLU 3134N -3.98 0.87 0.02 0.37 -1.05 -1.26 -1.76 118.70 111.90 1uup s GLU 3134Ca 0.37 -0.90 -0.05 0.00 -0.15 0.00 0.00 54.97 54.24 1uup s GLU 3134Cb 0.08 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 34.12 1uup s GLU 3134CO 0.14 -0.28 0.09 -0.08 0.95 0.00 0.00 175.26 176.07 1uup s THR 3135N -3.77 0.10 -1.08 1.83 -1.32 -0.98 -4.96 115.64 105.45 1uup s THR 3135Ca 0.04 -0.86 0.23 0.00 -1.21 0.00 0.00 61.69 59.89 1uup s THR 3135Cb 0.04 -0.52 -0.09 0.00 -1.51 0.00 0.00 72.50 70.42 1uup s THR 3135CO -0.11 -0.47 1.18 0.59 -2.21 0.00 0.00 174.62 173.60 1uup n ASN 3136N 1.29 0.81 -4.84 8.08 4.13 -1.26 -1.80 115.26 121.68 1uup n ASN 3136Ca -0.22 -0.67 -0.37 0.00 1.68 0.00 0.00 54.58 55.01 1uup n ASN 3136Cb 0.56 0.58 -0.06 0.00 -1.54 0.00 0.00 39.78 39.33 1uup n ASN 3136CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1uup s LYS 3137N -2.95 4.00 -0.07 3.52 1.02 -1.26 -1.14 119.74 122.86 1uup s LYS 3137Ca 0.11 0.50 -0.14 0.00 0.02 0.00 0.00 55.97 56.46 1uup s LYS 3137Cb 0.17 -3.08 -0.10 0.00 -0.52 0.00 0.00 37.83 34.30 1uup s LYS 3137CO 0.76 0.58 0.52 0.87 -0.92 0.00 0.00 175.35 177.16 1uup h LYS 3138N 4.07 -0.22 -4.87 1.68 1.57 -1.36 -3.41 116.57 114.03 1uup h LYS 3138Ca -0.50 0.01 -0.65 0.00 -1.87 0.00 0.00 60.65 57.65 1uup h LYS 3138Cb 1.20 0.05 -0.18 0.00 0.08 0.00 0.00 32.23 33.38 1uup h LYS 3138CO 0.64 0.06 -0.52 -1.64 -0.57 0.00 0.00 179.45 177.42 1uup s MET 3139N -2.70 3.83 0.05 3.15 -1.94 -1.26 -0.74 119.30 119.69 1uup s MET 3139Ca -0.08 -0.40 0.08 0.00 -1.71 0.00 0.00 55.69 53.58 1uup s MET 3139Cb 0.00 -3.65 -0.03 0.00 2.01 0.00 0.00 34.83 33.16 1uup s MET 3139CO 0.28 -0.23 -0.23 0.54 -0.01 0.00 0.00 175.02 175.37 1uup s VAL 3140N 1.74 1.83 0.40 -6.03 0.11 0.70 -4.86 120.40 114.29 1uup s VAL 3140Ca 0.07 -1.32 -0.23 0.00 -2.93 0.00 0.00 61.98 57.57 1uup s VAL 3140Cb -0.16 -1.60 -0.10 0.00 -1.53 0.00 0.00 36.38 32.99 1uup s VAL 3140CO 0.10 0.22 0.97 0.42 -3.33 0.00 0.00 175.10 173.48 1uup s THR 3141N -0.85 4.21 0.46 5.04 -4.23 -1.26 0.12 115.64 119.12 1uup s THR 3141Ca 0.09 1.53 0.12 0.00 -1.18 0.00 0.00 61.69 62.25 1uup s THR 3141Cb -0.09 -3.71 0.28 0.00 1.34 0.00 0.00 72.50 70.31 1uup s THR 3141CO 0.02 -0.15 2.08 0.00 -0.54 0.00 0.00 174.62 176.04 1uup h ALA 3142N 2.30 1.88 -0.33 3.99 0.00 -1.61 -1.41 119.26 124.07 1uup h ALA 3142Ca -0.48 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1uup h ALA 3142Cb 1.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1uup h ALA 3142CO 0.62 0.10 0.07 0.37 0.00 0.00 0.00 179.25 180.40 1uup h GLN 3143N 0.32 0.18 -0.19 0.00 4.15 -1.91 0.45 115.11 118.10 1uup h GLN 3143Ca 0.11 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.55 1uup h GLN 3143Cb 0.06 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1uup h GLN 3143CO -0.02 0.12 -0.01 1.49 -1.93 0.00 0.00 178.83 178.47 1uup h GLU 3144N 0.18 0.04 -0.17 1.69 4.81 -1.49 -0.56 114.58 119.08 1uup h GLU 3144Ca 0.16 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1uup h GLU 3144Cb 0.17 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1uup h GLU 3144CO -0.21 0.03 0.03 -0.07 -0.73 0.00 0.00 179.01 178.06 1uup h LEU 3145N 0.04 0.27 -0.41 1.64 3.38 -1.30 -2.36 115.31 116.57 1uup h LEU 3145Ca 0.09 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1uup h LEU 3145Cb 0.12 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 1uup h LEU 3145CO -0.16 0.45 -0.13 -0.78 0.09 0.00 0.00 178.44 177.90 1uup h ASP 3146N 0.08 -0.48 -0.01 -0.43 3.58 0.12 0.69 116.42 119.97 1uup h ASP 3146Ca 0.05 0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.67 1uup h ASP 3146Cb 0.29 0.29 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 1uup h ASP 3146CO 0.00 -0.17 -0.19 0.22 -2.88 0.00 0.00 179.24 176.22 1uup h TYR 3147N -0.04 -0.50 -0.02 0.28 3.20 -0.96 -1.02 116.97 117.91 1uup h TYR 3147Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1uup h TYR 3147Cb 0.35 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1uup h TYR 3147CO -0.39 -0.27 0.01 0.87 -1.64 0.00 0.00 178.16 176.74 1uup h LYS 3148N -0.31 0.00 0.16 1.82 1.57 -0.78 0.22 116.57 119.25 1uup h LYS 3148Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1uup h LYS 3148Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1uup h LYS 3148CO -0.18 0.00 -0.08 0.28 -0.57 0.00 0.00 179.45 178.90 1uup h VAL 3149N 0.00 0.91 0.00 0.50 2.07 -0.13 -2.76 116.25 116.84 1uup h VAL 3149Ca 0.01 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 1uup h VAL 3149Cb 0.03 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1uup h VAL 3149CO -0.00 0.22 -0.35 0.03 0.02 0.00 0.00 177.57 177.50 1uup h ARG 3150N -0.81 0.00 -0.04 1.57 3.08 -0.97 -1.08 114.38 116.12 1uup h ARG 3150Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1uup h ARG 3150Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1uup h ARG 3150CO 0.04 0.35 0.02 -0.22 -1.07 0.00 0.00 179.97 179.08 1uup h LYS 3151N 0.00 0.06 -0.11 0.04 1.63 -0.61 0.21 116.57 117.80 1uup h LYS 3151Ca -0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1uup h LYS 3151Cb 0.67 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 1uup h LYS 3151CO 0.05 0.20 0.06 -0.92 -3.45 0.00 0.00 179.45 175.38 1uup h TYR 3152N -0.08 0.15 -0.37 1.91 3.20 -1.24 -2.87 116.97 117.67 1uup h TYR 3152Ca 0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1uup h TYR 3152Cb 0.15 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1uup h TYR 3152CO -0.02 0.18 0.22 -0.07 -1.64 0.00 0.00 178.16 176.83 1uup h LEU 3153N 0.08 0.43 0.39 2.82 3.38 -1.03 -1.19 115.31 120.19 1uup h LEU 3153Ca 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1uup h LEU 3153Cb 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1uup h LEU 3153CO -0.01 0.33 -0.19 0.74 0.09 0.00 0.00 178.44 179.41 1uup h THR 3154N 0.51 0.55 0.00 0.22 2.02 -0.37 0.04 112.91 115.88 1uup h THR 3154Ca 0.13 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 1uup h THR 3154Cb -0.02 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1uup h THR 3154CO -0.03 0.09 -0.30 0.44 0.37 0.00 0.00 175.52 176.09 1uup h ASP 3155N -0.84 0.00 0.00 4.18 3.45 -1.42 -0.88 116.42 120.90 1uup h ASP 3155Ca -0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.41 1uup h ASP 3155Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1uup h ASP 3155CO 0.09 0.30 -1.75 0.59 -1.57 0.00 0.00 179.24 176.89 1uup n ASN 3156N -3.88 0.89 0.00 6.45 3.02 -0.46 -4.64 115.26 116.65 1uup n ASN 3156Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1uup n ASN 3156Cb 0.38 1.77 0.00 0.00 -0.61 0.00 0.00 39.78 41.31 1uup n ASN 3156CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uup n LYS 3157N -2.08 -0.29 -3.19 3.52 4.76 -0.06 -5.03 118.16 115.80 1uup n LYS 3157Ca -0.03 -0.22 -0.14 0.00 -2.87 0.00 0.00 58.31 55.05 1uup n LYS 3157Cb 0.45 -0.68 0.07 0.00 -1.84 0.00 0.00 35.03 33.04 1uup n LYS 3157CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1uup n GLN 3158N -0.01 -4.43 -0.26 1.97 3.00 -0.34 -4.90 117.38 112.41 1uup n GLN 3158Ca 0.00 0.76 -0.04 0.00 -0.01 0.00 0.00 57.00 57.71 1uup n GLN 3158Cb 0.17 -5.44 0.12 0.00 0.00 0.00 0.00 30.24 25.09 1uup n GLN 3158CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1uup h LEU 3159N -1.41 1.01 -8.37 1.08 5.85 -1.56 -3.39 115.31 108.52 1uup h LEU 3159Ca -0.53 -0.14 -0.32 0.00 0.84 0.00 0.00 57.88 57.74 1uup h LEU 3159Cb 1.29 -0.26 -0.19 0.00 0.37 0.00 0.00 40.66 41.87 1uup h LEU 3159CO 0.42 0.88 -0.74 -0.31 -0.34 0.00 0.00 178.44 178.36 1uup s TYR 3160N -5.56 0.98 0.23 1.25 1.51 -1.26 -4.70 117.35 109.79 1uup s TYR 3160Ca -0.12 -0.60 -0.00 0.00 -1.01 0.00 0.00 57.07 55.34 1uup s TYR 3160Cb 0.16 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1uup s TYR 3160CO 0.82 -0.02 0.19 0.95 -1.11 0.00 0.00 175.55 176.38 1uup s THR 3161N -2.07 0.00 -1.55 -0.71 -4.23 -1.26 -4.90 115.64 100.91 1uup s THR 3161Ca 0.01 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 58.45 1uup s THR 3161Cb -0.05 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 1uup s THR 3161CO 0.00 0.00 2.65 -3.20 -0.54 0.00 0.00 174.62 173.54 1uup n ASN 3162N -0.54 6.81 0.00 3.99 2.85 -1.26 -4.46 115.26 122.65 1uup n ASN 3162Ca 0.03 -2.69 0.00 0.00 -0.11 0.00 0.00 54.58 51.80 1uup n ASN 3162Cb 0.65 -1.59 0.00 0.00 1.24 0.00 0.00 39.78 40.08 1uup n ASN 3162CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uup n GLY 3163N 3.73 -0.51 3.56 8.20 0.00 -1.26 -4.95 105.19 113.96 1uup n GLY 3163Ca 0.68 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1uup n GLY 3163CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uup s PRO 3164N -1.87 -0.64 0.07 1.61 0.04 -1.26 -4.34 135.00 128.61 1uup s PRO 3164Ca 0.00 0.52 0.10 0.00 0.04 0.00 0.00 61.00 61.66 1uup s PRO 3164Cb 0.00 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 1uup s PRO 3164CO 0.00 -3.45 -0.26 0.45 0.04 0.00 0.00 177.00 173.78 1uup s SER 3165N -3.11 3.28 0.24 6.66 0.15 -1.26 -4.10 113.70 115.56 1uup s SER 3165Ca 0.67 -0.62 0.24 0.00 0.70 0.00 0.00 55.95 56.94 1uup s SER 3165Cb -0.20 -0.30 0.95 0.00 -1.71 0.00 0.00 66.02 64.76 1uup s SER 3165CO 0.60 0.24 1.71 2.29 1.20 0.00 0.00 173.24 179.29 1uup n LYS 3166N 1.51 0.20 -4.22 5.44 2.85 -1.26 -4.66 118.16 118.02 1uup n LYS 3166Ca -0.17 0.39 -0.35 0.00 -1.05 0.00 0.00 58.31 57.13 1uup n LYS 3166Cb 0.52 -1.85 -0.08 0.00 -0.65 0.00 0.00 35.03 32.97 1uup n LYS 3166CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1uup s TYR 3167N -3.28 3.28 0.02 5.58 2.02 -1.26 -0.35 117.35 123.36 1uup s TYR 3167Ca 0.05 0.28 -0.14 0.00 -0.37 0.00 0.00 57.07 56.88 1uup s TYR 3167Cb 0.10 -1.82 -0.35 0.00 -0.40 0.00 0.00 41.96 39.49 1uup s TYR 3167CO 0.42 0.54 0.96 1.49 -1.57 0.00 0.00 175.55 177.39 1uup h GLU 3168N 4.98 0.51 -4.22 -0.62 4.57 -0.72 -3.43 114.58 115.65 1uup h GLU 3168Ca -0.52 -0.87 -0.12 0.00 -1.18 0.00 0.00 59.36 56.67 1uup h GLU 3168Cb 1.20 0.32 -0.15 0.00 -0.16 0.00 0.00 28.75 29.96 1uup h GLU 3168CO 0.56 1.41 -0.65 0.95 -1.18 0.00 0.00 179.01 180.11 1uup s THR 3169N -2.60 0.20 -0.23 0.32 -4.23 -1.23 -1.16 115.64 106.70 1uup s THR 3169Ca -0.10 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 58.36 1uup s THR 3169Cb 0.04 -1.55 0.16 0.00 1.34 0.00 0.00 72.50 72.49 1uup s THR 3169CO 0.93 -0.92 1.19 -0.83 -0.54 0.00 0.00 174.62 174.45 1uup s GLY 3170N -2.93 -0.06 0.02 3.99 0.00 -1.26 -2.72 107.32 104.37 1uup s GLY 3170Ca 0.08 2.55 -0.25 0.00 0.00 0.00 0.00 44.72 47.10 1uup s GLY 3170CO -0.09 1.22 0.57 -2.52 0.00 0.00 0.00 173.10 172.28 1uup s TYR 3171N -0.84 -0.50 -0.12 1.90 -0.85 -1.06 -0.58 117.35 115.30 1uup s TYR 3171Ca 0.04 0.69 -0.00 0.00 -0.52 0.00 0.00 57.07 57.27 1uup s TYR 3171Cb -0.01 0.37 -0.02 0.00 0.38 0.00 0.00 41.96 42.68 1uup s TYR 3171CO -0.04 -0.63 -0.11 -1.50 -1.52 0.00 0.00 175.55 171.74 1uup s ILE 3172N -2.02 3.24 -0.23 -3.49 2.07 -0.41 -1.76 121.20 118.59 1uup s ILE 3172Ca -0.07 -0.61 -0.04 0.00 -1.41 0.00 0.00 60.65 58.52 1uup s ILE 3172Cb -0.01 -2.35 0.00 0.00 0.13 0.00 0.00 42.46 40.23 1uup s ILE 3172CO 0.02 0.53 -0.04 -0.75 -1.91 0.00 0.00 174.94 172.80 1uup s LYS 3173N 0.11 3.22 -0.16 3.50 2.20 0.22 -1.49 119.74 127.35 1uup s LYS 3173Ca -0.05 -0.73 -0.16 0.00 -0.36 0.00 0.00 55.97 54.68 1uup s LYS 3173Cb -0.15 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1uup s LYS 3173CO 0.04 -0.27 0.38 -0.06 -0.36 0.00 0.00 175.35 175.08 1uup s PHE 3174N 1.45 3.45 -0.33 4.03 0.40 0.27 -1.20 117.98 126.05 1uup s PHE 3174Ca 0.04 0.69 0.04 0.00 -0.60 0.00 0.00 56.93 57.10 1uup s PHE 3174Cb -0.15 -2.45 0.10 0.00 0.51 0.00 0.00 43.02 41.02 1uup s PHE 3174CO -0.03 0.15 0.05 0.42 0.70 0.00 0.00 175.22 176.51 1uup s ILE 3175N 0.74 2.16 0.47 0.64 1.09 0.14 -2.56 121.20 123.87 1uup s ILE 3175Ca 0.20 -2.24 -0.19 0.00 -1.10 0.00 0.00 60.65 57.32 1uup s ILE 3175Cb -0.14 -2.58 -0.10 0.00 -1.06 0.00 0.00 42.46 38.58 1uup s ILE 3175CO 0.07 -0.58 0.97 -2.16 -0.10 0.00 0.00 174.94 173.13 1uup s PRO 3176N 0.97 4.10 0.11 2.79 0.04 -1.26 0.41 135.00 142.15 1uup s PRO 3176Ca 0.10 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 1uup s PRO 3176Cb -0.19 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 1uup s PRO 3176CO -0.09 -0.14 1.41 -0.22 0.04 0.00 0.00 177.00 178.00 1uup h LYS 3177N 1.47 -0.21 0.00 4.56 1.63 -1.93 -3.38 116.57 118.70 1uup h LYS 3177Ca -0.48 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1uup h LYS 3177Cb 1.18 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1uup h LYS 3177CO 0.61 -0.14 -0.57 0.09 -3.45 0.00 0.00 179.45 175.99 1uup n ASN 3178N -4.72 1.11 -4.10 4.20 3.02 -1.26 -5.02 115.26 108.49 1uup n ASN 3178Ca -0.02 0.19 -0.36 0.00 -0.03 0.00 0.00 54.58 54.36 1uup n ASN 3178Cb 0.24 -0.63 0.05 0.00 -0.61 0.00 0.00 39.78 38.83 1uup n ASN 3178CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uup n LYS 3179N -3.62 -0.03 -0.88 3.52 4.01 -1.26 -4.95 118.16 114.96 1uup n LYS 3179Ca -0.08 -0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.42 1uup n LYS 3179Cb 0.30 -1.14 0.24 0.00 -0.51 0.00 0.00 35.03 33.91 1uup n LYS 3179CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1uup s GLU 3180N -2.14 -1.21 0.20 1.97 -1.05 -1.26 -4.38 118.70 110.84 1uup s GLU 3180Ca 0.45 0.22 0.07 0.00 -0.15 0.00 0.00 54.97 55.56 1uup s GLU 3180Cb -0.22 -1.57 -0.04 0.00 -0.44 0.00 0.00 34.13 31.86 1uup s GLU 3180CO 0.78 -3.76 0.11 -1.54 0.95 0.00 0.00 175.26 171.80 1uup s SER 3181N -3.44 5.25 0.22 0.83 1.04 -1.26 -4.39 113.70 111.94 1uup s SER 3181Ca 0.69 -0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.83 1uup s SER 3181Cb -0.15 -1.27 -0.04 0.00 0.10 0.00 0.00 66.02 64.66 1uup s SER 3181CO 0.58 0.03 0.12 0.72 0.98 0.00 0.00 173.24 175.68 1uup s PHE 3182N -1.93 1.27 0.11 5.02 -0.12 -1.06 -4.51 117.98 116.75 1uup s PHE 3182Ca 0.31 -1.34 -0.13 0.00 -0.05 0.00 0.00 56.93 55.72 1uup s PHE 3182Cb -0.09 -0.65 0.02 0.00 -0.63 0.00 0.00 43.02 41.67 1uup s PHE 3182CO 0.22 -0.57 0.32 1.67 -0.05 0.00 0.00 175.22 176.82 1uup s TRP 3183N -4.04 -0.07 0.01 3.49 1.48 -1.26 -0.56 118.94 117.98 1uup s TRP 3183Ca 0.39 -0.27 0.07 0.00 -1.06 0.00 0.00 56.10 55.22 1uup s TRP 3183Cb 0.07 0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 32.50 1uup s TRP 3183CO 0.13 -0.64 -0.20 -0.06 -4.06 0.00 0.00 176.95 172.12 1uup s PHE 3184N -3.75 1.76 -0.09 1.66 2.99 -0.56 -4.96 117.98 115.04 1uup s PHE 3184Ca 0.03 -0.35 -0.26 0.00 0.00 0.00 0.00 56.93 56.35 1uup s PHE 3184Cb 0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 43.02 41.93 1uup s PHE 3184CO -0.11 0.03 0.82 0.34 -0.00 0.00 0.00 175.22 176.30 1uup s ASP 3185N -0.82 7.07 0.52 1.36 3.68 -1.26 -1.29 116.67 125.93 1uup s ASP 3185Ca 0.07 1.30 0.34 0.00 2.13 0.00 0.00 52.55 56.40 1uup s ASP 3185Cb -0.08 -2.47 1.56 0.00 -1.45 0.00 0.00 42.92 40.49 1uup s ASP 3185CO 0.01 -0.25 2.02 -0.26 0.13 0.00 0.00 175.17 176.82 1uup h PHE 3186N 6.96 0.00 -4.02 -5.34 0.05 -1.19 -3.44 116.94 109.96 1uup h PHE 3186Ca -0.37 0.00 -0.69 0.00 3.82 0.00 0.00 57.97 60.73 1uup h PHE 3186Cb 1.18 0.00 -0.23 0.00 2.00 0.00 0.00 35.95 38.90 1uup h PHE 3186CO 0.68 0.00 -0.84 -0.06 -0.18 0.00 0.00 178.31 177.91 1uup s PHE 3187N -3.73 2.45 0.79 -0.55 0.40 -1.26 -5.02 117.98 111.06 1uup s PHE 3187Ca -0.00 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1uup s PHE 3187Cb 0.10 -1.39 0.15 0.00 0.51 0.00 0.00 43.02 42.39 1uup s PHE 3187CO 0.47 0.25 1.08 -1.25 0.70 0.00 0.00 175.22 176.47 1uup s PRO 3188N -1.58 1.37 0.87 0.24 0.04 -1.26 -4.66 135.00 130.02 1uup s PRO 3188Ca 0.14 -0.99 -0.11 0.00 0.04 0.00 0.00 61.00 60.08 1uup s PRO 3188Cb -0.10 -2.21 0.11 0.00 0.04 0.00 0.00 34.50 32.34 1uup s PRO 3188CO 0.05 -1.72 1.09 -1.21 0.04 0.00 0.00 177.00 175.26 1uup s GLU 3189N -5.33 1.48 0.04 4.56 2.02 -1.26 -4.68 118.70 115.52 1uup s GLU 3189Ca 0.69 0.87 -0.09 0.00 0.02 0.00 0.00 54.97 56.46 1uup s GLU 3189Cb -0.04 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 1uup s GLU 3189CO 0.47 -2.10 1.14 -1.35 0.02 0.00 0.00 175.26 173.44 1uup h PRO 3190N -1.45 -0.07 -4.75 0.39 0.11 -1.90 -3.34 132.00 120.99 1uup h PRO 3190Ca -0.48 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 1uup h PRO 3190Cb 1.27 0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.21 1uup h PRO 3190CO 0.54 -0.05 -0.49 -1.21 -0.21 0.00 0.00 178.00 176.58 1uup s GLU 3191N -3.69 3.57 0.32 1.05 2.02 -1.26 -2.52 118.70 118.20 1uup s GLU 3191Ca -0.04 -0.59 0.05 0.00 0.02 0.00 0.00 54.97 54.41 1uup s GLU 3191Cb 0.02 -3.77 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 1uup s GLU 3191CO 0.16 -0.39 0.20 -0.59 0.02 0.00 0.00 175.26 174.66 1uup s PHE 3192N 1.72 1.65 -0.03 1.61 -0.12 -1.26 -5.10 117.98 116.47 1uup s PHE 3192Ca 0.06 -1.47 -0.01 0.00 -0.05 0.00 0.00 56.93 55.46 1uup s PHE 3192Cb -0.17 -0.83 0.03 0.00 -0.63 0.00 0.00 43.02 41.42 1uup s PHE 3192CO 0.10 -0.63 0.04 0.99 -0.05 0.00 0.00 175.22 175.68 1uup s THR 3193N -3.52 -0.07 0.29 -4.49 2.01 -1.26 -5.05 115.64 103.54 1uup s THR 3193Ca 0.36 0.25 -0.00 0.00 0.31 0.00 0.00 61.69 62.61 1uup s THR 3193Cb 0.04 -0.10 0.35 0.00 0.01 0.00 0.00 72.50 72.80 1uup s THR 3193CO 0.20 0.10 1.61 1.56 -0.69 0.00 0.00 174.62 177.41 1uup h GLN 3194N 7.50 0.08 -0.88 4.92 4.20 -1.93 0.22 115.11 129.22 1uup h GLN 3194Ca -0.40 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.41 1uup h GLN 3194Cb 1.12 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.81 1uup h GLN 3194CO 0.42 0.05 0.52 1.03 -0.67 0.00 0.00 178.83 180.18 1uup h SER 3195N 0.08 0.75 -0.10 1.46 0.87 -1.96 0.02 113.55 114.67 1uup h SER 3195Ca 0.54 0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 61.02 1uup h SER 3195Cb 1.09 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1uup h SER 3195CO -0.79 0.42 -0.46 0.11 -0.53 0.00 0.00 176.83 175.58 1uup h LYS 3196N 0.85 0.49 -0.61 2.24 1.79 -1.06 -3.31 116.57 116.97 1uup h LYS 3196Ca 0.43 -0.39 0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1uup h LYS 3196Cb 0.39 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.07 1uup h LYS 3196CO -0.25 1.02 0.33 -0.92 -1.08 0.00 0.00 179.45 178.55 1uup h TYR 3197N 0.08 0.60 0.00 -1.35 3.20 -0.41 -2.78 116.97 116.31 1uup h TYR 3197Ca -0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1uup h TYR 3197Cb 1.10 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1uup h TYR 3197CO 0.11 0.29 0.00 1.28 -1.64 0.00 0.00 178.16 178.20 1uup n LEU 3198N -4.83 0.00 0.08 2.82 4.77 -0.08 -3.52 117.00 116.24 1uup n LEU 3198Ca 0.07 0.15 0.06 0.00 -0.03 0.00 0.00 56.01 56.26 1uup n LEU 3198Cb 0.16 -0.15 0.31 0.00 -2.33 0.00 0.00 43.42 41.41 1uup n LEU 3198CO 0.29 -0.05 0.68 0.23 -1.33 0.00 0.00 177.39 177.21 1uup n MET 3199N -1.15 0.07 0.29 3.23 2.81 -1.05 -1.56 117.12 119.76 1uup n MET 3199Ca 0.12 0.54 0.19 0.00 -1.81 0.00 0.00 57.70 56.74 1uup n MET 3199Cb 0.11 -1.73 1.01 0.00 -0.71 0.00 0.00 33.22 31.91 1uup n MET 3199CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 1uup h ILE 3200N 0.00 0.00 0.00 2.02 3.07 -1.82 -1.23 117.51 119.56 1uup h ILE 3200Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1uup h ILE 3200Cb 0.04 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 37.41 1uup h ILE 3200CO 0.00 0.00 -1.70 -1.22 -1.05 0.00 0.00 178.15 174.18 1uup n TYR 3201N -2.83 0.08 -0.33 0.16 4.01 -0.60 -4.58 117.16 113.08 1uup n TYR 3201Ca -0.02 0.02 0.19 0.00 -0.16 0.00 0.00 57.90 57.93 1uup n TYR 3201Cb 0.09 -0.44 0.37 0.00 -0.31 0.00 0.00 39.34 39.05 1uup n TYR 3201CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1uup h LYS 3202N 0.00 0.07 0.00 -0.72 3.64 -1.36 0.46 116.57 118.66 1uup h LYS 3202Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1uup h LYS 3202Cb 0.90 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1uup h LYS 3202CO 0.00 0.04 0.00 -0.40 -2.27 0.00 0.00 179.45 176.82 1uup n ASP 3203N -5.35 0.53 -2.27 4.20 5.75 -1.26 -2.03 116.55 116.12 1uup n ASP 3203Ca 0.27 0.74 -0.18 0.00 -0.01 0.00 0.00 54.79 55.60 1uup n ASP 3203Cb 0.88 -0.81 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1uup n ASP 3203CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1uup n ASN 3204N -2.20 -5.16 -4.67 -1.12 5.15 0.16 -4.74 115.26 102.68 1uup n ASN 3204Ca -0.01 0.12 -0.47 0.00 -0.60 0.00 0.00 54.58 53.62 1uup n ASN 3204Cb 0.05 -4.36 -0.04 0.00 -0.53 0.00 0.00 39.78 34.89 1uup n ASN 3204CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1uup n GLU 3205N -2.82 2.12 -4.33 1.20 4.07 -1.26 -4.89 120.64 114.72 1uup n GLU 3205Ca -0.21 0.77 -0.19 0.00 -0.06 0.00 0.00 57.16 57.47 1uup n GLU 3205Cb 0.65 -2.56 -0.10 0.00 -0.06 0.00 0.00 31.44 29.36 1uup n GLU 3205CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1uup s THR 3206N 2.03 1.73 0.18 6.31 -4.23 -1.26 -1.47 115.64 118.93 1uup s THR 3206Ca 0.84 -2.08 -0.06 0.00 -1.18 0.00 0.00 61.69 59.21 1uup s THR 3206Cb -0.69 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1uup s THR 3206CO 0.43 -0.49 0.24 -1.48 -0.54 0.00 0.00 174.62 172.78 1uup s LEU 3207N -3.03 1.05 -0.31 4.79 0.05 0.32 -4.89 118.68 116.66 1uup s LEU 3207Ca 0.19 -1.07 -0.29 0.00 0.05 0.00 0.00 54.13 53.01 1uup s LEU 3207Cb -0.03 0.92 -0.01 0.00 -2.05 0.00 0.00 46.19 45.03 1uup s LEU 3207CO 0.06 -0.89 1.45 -0.62 -0.55 0.00 0.00 176.35 175.80 1uup s ASP 3208N -3.04 6.46 0.11 1.48 -1.08 -1.26 -0.22 116.67 119.12 1uup s ASP 3208Ca 0.25 1.24 0.13 0.00 -0.52 0.00 0.00 52.55 53.64 1uup s ASP 3208Cb 0.04 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.56 1uup s ASP 3208CO 0.05 -1.26 1.40 -1.54 0.52 0.00 0.00 175.17 174.33 1uup n SER 3209N 8.33 0.24 0.08 -0.34 3.41 0.08 -2.18 113.62 123.23 1uup n SER 3209Ca 0.17 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.45 1uup n SER 3209Cb 0.47 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 1uup n SER 3209CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uup n ASN 3210N -1.79 0.80 0.00 4.04 5.15 -1.26 -4.51 115.26 117.69 1uup n ASN 3210Ca 0.01 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1uup n ASN 3210Cb 0.10 0.48 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1uup n ASN 3210CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1uup n THR 3211N -2.70 0.26 -3.33 -0.44 -2.24 -0.94 -5.07 114.28 99.82 1uup n THR 3211Ca -0.03 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 1uup n THR 3211Cb 0.62 1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 69.90 1uup n THR 3211CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1uup s SER 3212N -0.26 6.70 0.12 3.42 0.01 -0.93 -3.32 113.70 119.45 1uup s SER 3212Ca 0.00 1.05 0.11 0.00 1.31 0.00 0.00 55.95 58.41 1uup s SER 3212Cb 0.00 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1uup s SER 3212CO 0.00 -0.09 -0.26 -1.10 0.41 0.00 0.00 173.24 172.20 1uup s GLN 3213N -2.74 1.46 -0.04 12.44 -0.21 0.16 -4.95 119.66 125.78 1uup s GLN 3213Ca 0.48 -1.32 0.05 0.00 0.02 0.00 0.00 55.36 54.59 1uup s GLN 3213Cb -0.11 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 31.97 1uup s GLN 3213CO 0.20 0.46 -0.19 0.42 -2.12 0.00 0.00 175.29 174.06 1uup s ILE 3214N -1.04 1.55 -0.01 1.08 1.01 -1.26 0.25 121.20 122.78 1uup s ILE 3214Ca 0.14 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1uup s ILE 3214Cb -0.10 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.05 1uup s ILE 3214CO 0.06 0.44 -0.04 -1.61 0.00 0.00 0.00 174.94 173.79 1uup s GLU 3215N -0.07 0.36 -0.04 2.79 2.02 -0.34 -2.83 118.70 120.59 1uup s GLU 3215Ca -0.02 -0.12 0.06 0.00 0.02 0.00 0.00 54.97 54.91 1uup s GLU 3215Cb -0.11 -0.37 -0.01 0.00 0.10 0.00 0.00 34.13 33.74 1uup s GLU 3215CO 0.02 0.06 -0.23 0.08 0.02 0.00 0.00 175.26 175.21 1uup s VAL 3216N 0.07 1.86 -0.13 2.63 1.01 -0.39 0.73 120.40 126.19 1uup s VAL 3216Ca -0.00 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1uup s VAL 3216Cb -0.04 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1uup s VAL 3216CO -0.00 0.52 -0.16 -0.31 0.00 0.00 0.00 175.10 175.15 1uup s TYR 3217N -0.23 2.15 0.41 5.22 2.02 -0.72 -1.03 117.35 125.17 1uup s TYR 3217Ca -0.00 -1.10 0.07 0.00 -0.37 0.00 0.00 57.07 55.66 1uup s TYR 3217Cb -0.12 -1.55 -0.07 0.00 -0.40 0.00 0.00 41.96 39.82 1uup s TYR 3217CO 0.02 -0.57 0.04 -0.51 -1.57 0.00 0.00 175.55 172.95 1uup s LEU 3218N 1.16 2.90 -0.25 -1.29 1.43 0.23 -2.56 118.68 120.30 1uup s LEU 3218Ca -0.02 -1.33 -0.02 0.00 -1.03 0.00 0.00 54.13 51.73 1uup s LEU 3218Cb -0.14 -0.98 0.14 0.00 0.03 0.00 0.00 46.19 45.24 1uup s LEU 3218CO -0.05 -0.48 0.40 0.42 0.23 0.00 0.00 176.35 176.87 1uup s THR 3219N -2.70 -0.64 0.34 5.49 -4.23 -1.10 -0.49 115.64 112.31 1uup s THR 3219Ca 0.35 -0.09 -0.28 0.00 -1.18 0.00 0.00 61.69 60.49 1uup s THR 3219Cb 0.09 -0.85 -0.12 0.00 1.34 0.00 0.00 72.50 72.96 1uup s THR 3219CO 0.18 -0.13 1.28 0.35 -0.54 0.00 0.00 174.62 175.76 1uup n THR 3220N 5.37 2.00 1.01 3.99 -2.24 -1.26 -0.09 114.28 123.05 1uup n THR 3220Ca -0.03 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.33 1uup n THR 3220Cb 0.50 -1.55 0.48 0.00 -2.10 0.00 0.00 70.33 67.66 1uup n THR 3220CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67