#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nd5 s GLU 3001N 0.00 2.72 -0.26 1.64 2.56 0.40 -4.96 118.70 120.80 1nd5 s GLU 3001Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 54.97 54.16 1nd5 s GLU 3001Cb 0.00 -2.60 -0.02 0.00 2.00 0.00 0.00 34.13 33.50 1nd5 s GLU 3001CO 0.00 0.64 0.60 -1.17 -0.56 0.00 0.00 175.26 174.76 1nd5 s LEU 3002N -1.24 4.06 -0.13 2.70 2.96 -1.26 -0.48 118.68 125.28 1nd5 s LEU 3002Ca 0.16 0.64 -0.11 0.00 -0.22 0.00 0.00 54.13 54.60 1nd5 s LEU 3002Cb -0.11 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1nd5 s LEU 3002CO 0.06 -0.35 -0.22 0.29 -1.32 0.00 0.00 176.35 174.81 1nd5 n LYS 3003N 5.67 0.41 -4.01 1.98 4.76 -0.18 -4.95 118.16 121.84 1nd5 n LYS 3003Ca -0.02 0.34 -0.09 0.00 -2.87 0.00 0.00 58.31 55.67 1nd5 n LYS 3003Cb 0.49 -1.43 -0.11 0.00 -1.84 0.00 0.00 35.03 32.15 1nd5 n LYS 3003CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1nd5 s PHE 3004N -2.32 0.38 0.02 2.13 5.36 -1.14 -4.78 117.98 117.62 1nd5 s PHE 3004Ca -0.18 -0.61 0.01 0.00 -0.96 0.00 0.00 56.93 55.19 1nd5 s PHE 3004Cb 0.03 -0.26 -0.01 0.00 -0.34 0.00 0.00 43.02 42.43 1nd5 s PHE 3004CO 0.27 -0.20 -0.04 0.54 -1.46 0.00 0.00 175.22 174.33 1nd5 s VAL 3005N -1.83 0.25 -0.08 3.12 0.11 -0.38 -0.13 120.40 121.45 1nd5 s VAL 3005Ca -0.11 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 1nd5 s VAL 3005Cb -0.07 -0.31 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1nd5 s VAL 3005CO -0.02 -0.25 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.43 1nd5 s THR 3006N -0.88 1.58 -0.07 5.04 2.01 -0.36 -2.94 115.64 120.02 1nd5 s THR 3006Ca -0.08 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1nd5 s THR 3006Cb -0.06 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1nd5 s THR 3006CO -0.00 0.45 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.44 1nd5 s LEU 3007N 0.54 2.47 -0.26 4.42 1.43 -0.13 -1.60 118.68 125.55 1nd5 s LEU 3007Ca -0.16 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1nd5 s LEU 3007Cb -0.17 -1.50 0.08 0.00 0.03 0.00 0.00 46.19 44.64 1nd5 s LEU 3007CO 0.06 0.26 0.08 -0.69 0.23 0.00 0.00 176.35 176.29 1nd5 s VAL 3008N -0.23 0.51 0.37 -1.59 1.01 -1.03 -0.62 120.40 118.82 1nd5 s VAL 3008Ca -0.00 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1nd5 s VAL 3008Cb -0.13 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1nd5 s VAL 3008CO 0.03 -0.51 0.06 0.72 0.00 0.00 0.00 175.10 175.40 1nd5 s PHE 3009N 1.83 2.01 -0.09 5.22 -0.12 -1.14 -1.58 117.98 124.11 1nd5 s PHE 3009Ca 0.05 -0.97 -0.00 0.00 -0.05 0.00 0.00 56.93 55.96 1nd5 s PHE 3009Cb -0.17 -1.37 -0.03 0.00 -0.63 0.00 0.00 43.02 40.83 1nd5 s PHE 3009CO -0.21 0.04 -0.06 0.50 -0.05 0.00 0.00 175.22 175.44 1nd5 s ARG 3010N -3.83 3.04 0.95 1.99 3.52 -0.94 -0.92 118.95 122.75 1nd5 s ARG 3010Ca 0.31 -0.54 -0.18 0.00 -0.13 0.00 0.00 55.73 55.18 1nd5 s ARG 3010Cb 0.07 -2.68 -0.15 0.00 -1.56 0.00 0.00 34.95 30.63 1nd5 s ARG 3010CO 0.15 0.53 -0.92 -2.39 -0.81 0.00 0.00 175.30 171.85 1nd5 n HIS 3011N 2.64 -4.19 -1.26 5.12 1.44 -1.08 -0.74 115.22 117.15 1nd5 n HIS 3011Ca -0.18 0.11 -0.16 0.00 -2.01 0.00 0.00 57.72 55.48 1nd5 n HIS 3011Cb 0.53 -1.35 0.12 0.00 0.12 0.00 0.00 29.99 29.41 1nd5 n HIS 3011CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nd5 n GLY 3012N 3.33 -1.78 3.57 -1.39 0.00 -1.26 -2.06 105.19 105.59 1nd5 n GLY 3012Ca -0.02 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 43.94 1nd5 n GLY 3012CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nd5 n ASP 3013N -3.66 0.98 -4.08 1.61 -0.08 -1.26 -4.80 116.55 105.26 1nd5 n ASP 3013Ca 0.09 1.14 -0.12 0.00 -1.51 0.00 0.00 54.79 54.39 1nd5 n ASP 3013Cb 0.32 -1.26 -0.09 0.00 2.34 0.00 0.00 41.12 42.42 1nd5 n ASP 3013CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nd5 s ARG 3014N -1.58 1.31 0.54 -0.67 1.70 -1.26 0.09 118.95 119.08 1nd5 s ARG 3014Ca 0.60 -1.62 -0.04 0.00 -0.47 0.00 0.00 55.73 54.19 1nd5 s ARG 3014Cb -0.69 0.30 -0.00 0.00 -0.57 0.00 0.00 34.95 33.99 1nd5 s ARG 3014CO 0.59 -0.45 0.83 -1.54 -1.08 0.00 0.00 175.30 173.65 1nd5 s SER 3015N -3.16 5.76 1.16 -2.89 1.04 -0.94 -4.81 113.70 109.86 1nd5 s SER 3015Ca 0.37 0.66 -0.17 0.00 0.48 0.00 0.00 55.95 57.29 1nd5 s SER 3015Cb 0.05 -1.76 0.19 0.00 0.10 0.00 0.00 66.02 64.60 1nd5 s SER 3015CO 0.13 -0.90 0.38 -0.81 0.98 0.00 0.00 173.24 173.01 1nd5 n PRO 3016N -2.42 -2.12 -0.02 4.02 -0.04 -1.26 -3.02 135.00 130.13 1nd5 n PRO 3016Ca 0.03 -0.60 0.02 0.00 -0.04 0.00 0.00 63.50 62.91 1nd5 n PRO 3016Cb 0.57 -1.85 -0.09 0.00 -0.04 0.00 0.00 33.50 32.09 1nd5 n PRO 3016CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1nd5 n ILE 3017N -4.71 0.29 -2.91 0.52 5.41 -1.26 0.27 119.36 116.97 1nd5 n ILE 3017Ca 0.01 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1nd5 n ILE 3017Cb 0.59 -0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 1nd5 n ILE 3017CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1nd5 n ASP 3018N -2.10 0.00 -3.68 4.38 2.03 -1.26 -4.71 116.55 111.21 1nd5 n ASP 3018Ca -0.08 -0.57 0.03 0.00 0.52 0.00 0.00 54.79 54.68 1nd5 n ASP 3018Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1nd5 n ASP 3018CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1nd5 s THR 3019N -2.52 0.00 0.33 5.18 -1.32 -1.26 -4.66 115.64 111.38 1nd5 s THR 3019Ca 0.00 -0.10 -0.02 0.00 -1.21 0.00 0.00 61.69 60.36 1nd5 s THR 3019Cb 0.00 -2.27 -0.04 0.00 -1.51 0.00 0.00 72.50 68.68 1nd5 s THR 3019CO 0.00 0.00 0.56 0.72 -2.21 0.00 0.00 174.62 173.69 1nd5 s PHE 3020N -2.14 3.50 0.13 9.09 -0.12 -0.96 -4.87 117.98 122.60 1nd5 s PHE 3020Ca 0.19 0.48 -0.26 0.00 -0.05 0.00 0.00 56.93 57.30 1nd5 s PHE 3020Cb 0.05 -1.99 -0.05 0.00 -0.63 0.00 0.00 43.02 40.40 1nd5 s PHE 3020CO -0.04 0.13 1.63 -1.35 -0.05 0.00 0.00 175.22 175.53 1nd5 h PRO 3021N 1.12 -0.39 -0.17 1.99 0.11 -1.85 -2.32 132.00 130.49 1nd5 h PRO 3021Ca -0.49 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nd5 h PRO 3021Cb 1.21 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1nd5 h PRO 3021CO 0.63 -0.26 0.00 2.41 -0.21 0.00 0.00 178.00 180.58 1nd5 n THR 3022N -5.38 0.00 -3.17 -1.15 -1.04 -1.17 -4.71 114.28 97.66 1nd5 n THR 3022Ca -0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1nd5 n THR 3022Cb 0.30 -0.26 -0.07 0.00 -1.82 0.00 0.00 70.33 68.48 1nd5 n THR 3022CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1nd5 s ASP 3023N -1.18 6.24 0.29 8.00 -1.08 -0.87 -4.93 116.67 123.14 1nd5 s ASP 3023Ca 0.00 -0.75 0.03 0.00 -0.52 0.00 0.00 52.55 51.31 1nd5 s ASP 3023Cb 0.00 -2.29 0.73 0.00 -1.46 0.00 0.00 42.92 39.90 1nd5 s ASP 3023CO 0.00 -0.82 1.67 -0.65 0.52 0.00 0.00 175.17 175.89 1nd5 h PRO 3024N 8.93 0.30 -6.50 4.34 0.11 -1.89 -3.36 132.00 133.93 1nd5 h PRO 3024Ca -0.27 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.25 1nd5 h PRO 3024Cb 1.10 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1nd5 h PRO 3024CO 0.92 0.20 1.09 0.42 -0.21 0.00 0.00 178.00 180.42 1nd5 s ILE 3025N -5.90 3.87 0.37 4.15 1.09 -1.26 -5.01 121.20 118.51 1nd5 s ILE 3025Ca -0.12 0.89 0.08 0.00 -1.10 0.00 0.00 60.65 60.40 1nd5 s ILE 3025Cb 0.26 -4.15 -0.03 0.00 -1.06 0.00 0.00 42.46 37.48 1nd5 s ILE 3025CO 0.78 -0.72 0.32 -0.54 -0.10 0.00 0.00 174.94 174.68 1nd5 s LYS 3026N 4.98 2.60 0.26 2.79 -0.14 -1.26 -4.97 119.74 124.00 1nd5 s LYS 3026Ca 0.63 -1.44 -0.10 0.00 -1.36 0.00 0.00 55.97 53.71 1nd5 s LYS 3026Cb -0.15 -2.40 0.40 0.00 -1.68 0.00 0.00 37.83 34.00 1nd5 s LYS 3026CO 0.32 -0.04 1.58 1.49 -0.76 0.00 0.00 175.35 177.95 1nd5 h GLU 3027N 1.18 -0.00 0.00 1.68 4.81 -1.96 0.76 114.58 121.05 1nd5 h GLU 3027Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1nd5 h GLU 3027Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1nd5 h GLU 3027CO 0.59 -0.00 0.44 -1.13 -0.73 0.00 0.00 179.01 178.17 1nd5 n SER 3028N -5.57 0.19 0.03 1.04 3.41 -1.26 -0.21 113.62 111.25 1nd5 n SER 3028Ca 0.14 0.41 -0.10 0.00 -0.26 0.00 0.00 58.87 59.06 1nd5 n SER 3028Cb 0.45 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 1nd5 n SER 3028CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nd5 h SER 3029N 0.00 0.08 -3.55 4.04 0.02 0.17 -3.46 113.55 110.85 1nd5 h SER 3029Ca 0.00 -0.12 -0.52 0.00 -0.84 0.00 0.00 61.79 60.31 1nd5 h SER 3029Cb 0.87 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1nd5 h SER 3029CO 0.00 1.10 0.21 0.26 -1.14 0.00 0.00 176.83 177.26 1nd5 s TRP 3030N -2.65 3.91 0.24 3.45 0.52 0.71 -4.97 118.94 120.15 1nd5 s TRP 3030Ca -0.03 1.67 -0.05 0.00 0.02 0.00 0.00 56.10 57.71 1nd5 s TRP 3030Cb 0.09 -2.81 0.46 0.00 -1.15 0.00 0.00 33.47 30.06 1nd5 s TRP 3030CO 0.83 0.49 1.69 -1.35 0.02 0.00 0.00 176.95 178.63 1nd5 h PRO 3031N 4.40 0.29 -0.68 4.98 0.11 -1.89 -2.54 132.00 136.67 1nd5 h PRO 3031Ca -0.46 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.16 1nd5 h PRO 3031Cb 1.21 -0.06 -0.31 0.00 0.11 0.00 0.00 31.00 31.94 1nd5 h PRO 3031CO 0.67 0.19 -0.28 1.04 -0.21 0.00 0.00 178.00 179.40 1nd5 n GLN 3032N -5.13 2.93 0.00 1.05 3.00 -1.26 -5.09 117.38 112.88 1nd5 n GLN 3032Ca 0.14 -3.73 0.00 0.00 -0.01 0.00 0.00 57.00 53.40 1nd5 n GLN 3032Cb 0.45 -2.15 0.00 0.00 0.00 0.00 0.00 30.24 28.54 1nd5 n GLN 3032CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nd5 n GLY 3033N -0.87 0.89 3.82 1.08 0.00 -0.96 -4.37 105.19 104.79 1nd5 n GLY 3033Ca 0.44 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1nd5 n GLY 3033CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nd5 s PHE 3034N 0.00 3.32 -1.40 1.61 2.99 -1.26 -4.22 117.98 119.02 1nd5 s PHE 3034Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 56.93 58.52 1nd5 s PHE 3034Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 43.02 40.18 1nd5 s PHE 3034CO 0.00 -0.11 0.00 0.41 -0.00 0.00 0.00 175.22 175.52 1nd5 n GLY 3035N -0.67 1.26 3.81 4.36 0.00 0.78 -4.91 105.19 109.81 1nd5 n GLY 3035Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1nd5 n GLY 3035CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nd5 s GLN 3036N -3.10 4.26 0.03 1.61 2.00 -1.26 -4.55 119.66 118.64 1nd5 s GLN 3036Ca 0.00 0.81 -0.30 0.00 -2.00 0.00 0.00 55.36 53.87 1nd5 s GLN 3036Cb 0.00 -3.22 -0.08 0.00 0.80 0.00 0.00 33.01 30.51 1nd5 s GLN 3036CO 0.00 0.61 1.77 -1.17 -0.50 0.00 0.00 175.29 176.00 1nd5 s LEU 3037N -1.18 4.38 0.76 3.68 2.96 -1.26 -2.20 118.68 125.81 1nd5 s LEU 3037Ca 0.31 2.50 -0.12 0.00 -0.22 0.00 0.00 54.13 56.60 1nd5 s LEU 3037Cb -0.20 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 42.99 1nd5 s LEU 3037CO 0.20 -0.96 1.10 0.42 -1.32 0.00 0.00 176.35 175.79 1nd5 s THR 3038N 3.63 3.18 0.38 3.68 -4.23 0.11 -4.90 115.64 117.49 1nd5 s THR 3038Ca 0.79 0.38 0.11 0.00 -1.18 0.00 0.00 61.69 61.79 1nd5 s THR 3038Cb -0.39 -3.26 0.13 0.00 1.34 0.00 0.00 72.50 70.32 1nd5 s THR 3038CO 0.35 -0.50 1.88 -0.61 -0.54 0.00 0.00 174.62 175.20 1nd5 h GLN 3039N -0.89 0.12 -0.74 3.99 4.15 -1.93 -1.06 115.11 118.74 1nd5 h GLN 3039Ca -0.46 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 58.97 1nd5 h GLN 3039Cb 1.27 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.89 1nd5 h GLN 3039CO 0.62 0.36 0.45 1.25 -1.93 0.00 0.00 178.83 179.58 1nd5 h LEU 3040N 0.11 0.72 -0.85 -2.39 5.85 -1.92 -0.28 115.31 116.56 1nd5 h LEU 3040Ca 0.02 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1nd5 h LEU 3040Cb 0.49 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1nd5 h LEU 3040CO 0.03 0.49 0.45 1.23 -0.34 0.00 0.00 178.44 180.30 1nd5 h GLY 3041N 0.86 1.27 0.28 3.75 0.00 -1.35 0.23 103.07 108.11 1nd5 h GLY 3041Ca 0.31 -0.59 0.16 0.00 0.00 0.00 0.00 47.33 47.21 1nd5 h GLY 3041CO -0.14 0.56 0.62 1.98 0.00 0.00 0.00 176.54 179.56 1nd5 h MET 3042N 1.18 0.83 0.43 4.80 -1.53 -0.37 0.13 114.93 120.41 1nd5 h MET 3042Ca 0.30 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.49 1nd5 h MET 3042Cb 0.05 -0.19 0.00 0.00 -0.55 0.00 0.00 31.60 30.91 1nd5 h MET 3042CO -0.05 0.55 -0.21 0.93 0.14 0.00 0.00 176.91 178.28 1nd5 h GLU 3043N 0.86 -0.56 -1.31 0.39 5.08 -0.29 -1.82 114.58 116.93 1nd5 h GLU 3043Ca 0.54 0.04 0.46 0.00 -1.00 0.00 0.00 59.36 59.40 1nd5 h GLU 3043Cb 0.73 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.97 1nd5 h GLU 3043CO -0.33 -0.37 0.83 1.04 -1.00 0.00 0.00 179.01 179.18 1nd5 n GLN 3044N -4.61 -0.04 0.03 2.33 6.02 0.67 0.10 117.38 121.89 1nd5 n GLN 3044Ca -0.07 1.23 0.07 0.00 -0.01 0.00 0.00 57.00 58.22 1nd5 n GLN 3044Cb 0.23 -2.41 -0.09 0.00 1.02 0.00 0.00 30.24 28.99 1nd5 n GLN 3044CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1nd5 n HIS 3045N -4.71 0.60 0.21 1.08 8.25 -0.06 -2.85 115.22 117.74 1nd5 n HIS 3045Ca 0.39 0.19 0.09 0.00 -0.26 0.00 0.00 57.72 58.12 1nd5 n HIS 3045Cb 1.50 -0.86 0.45 0.00 1.12 0.00 0.00 29.99 32.20 1nd5 n HIS 3045CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1nd5 h TYR 3046N 0.00 0.00 0.08 4.41 3.20 0.16 -1.49 116.97 123.33 1nd5 h TYR 3046Ca -0.09 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.54 1nd5 h TYR 3046Cb 1.26 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.55 1nd5 h TYR 3046CO 0.00 0.27 -0.97 1.49 -1.64 0.00 0.00 178.16 177.30 1nd5 h GLU 3047N 0.00 0.51 -0.65 1.82 4.22 -0.75 -2.90 114.58 116.83 1nd5 h GLU 3047Ca -0.00 -0.66 -0.00 0.00 0.08 0.00 0.00 59.36 58.77 1nd5 h GLU 3047Cb 0.74 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1nd5 h GLU 3047CO 0.03 1.28 0.39 1.25 -2.18 0.00 0.00 179.01 179.78 1nd5 h LEU 3048N 0.05 0.79 -1.88 1.64 6.46 -1.33 -1.69 115.31 119.35 1nd5 h LEU 3048Ca -0.15 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1nd5 h LEU 3048Cb 1.69 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.41 1nd5 h LEU 3048CO 0.19 0.62 -0.11 1.23 -0.62 0.00 0.00 178.44 179.75 1nd5 h GLY 3049N 0.89 0.00 2.00 3.75 0.00 -1.31 0.09 103.07 108.49 1nd5 h GLY 3049Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.39 1nd5 h GLY 3049CO -0.04 0.00 -0.85 -2.09 0.00 0.00 0.00 176.54 173.55 1nd5 h GLU 3050N 0.00 0.00 0.08 4.80 4.81 -1.13 -2.08 114.58 121.07 1nd5 h GLU 3050Ca -0.00 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1nd5 h GLU 3050Cb 0.22 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.62 1nd5 h GLU 3050CO 0.01 0.86 -0.71 -0.92 -0.73 0.00 0.00 179.01 177.52 1nd5 h TYR 3051N 0.00 0.55 -0.82 0.92 3.20 -0.44 -3.05 116.97 117.34 1nd5 h TYR 3051Ca -0.01 -0.36 -0.01 0.00 3.14 0.00 0.00 58.73 61.49 1nd5 h TYR 3051Cb 1.51 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.70 1nd5 h TYR 3051CO 0.00 1.24 0.49 0.82 -1.64 0.00 0.00 178.16 179.06 1nd5 h ILE 3052N -0.29 1.23 -1.00 1.81 1.08 -1.08 -1.12 117.51 118.14 1nd5 h ILE 3052Ca -0.11 -0.52 0.09 0.00 -0.39 0.00 0.00 64.86 63.93 1nd5 h ILE 3052Cb 1.50 0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 35.25 1nd5 h ILE 3052CO 0.14 0.24 0.64 -0.09 -0.69 0.00 0.00 178.15 178.39 1nd5 h ARG 3053N 1.14 1.07 0.00 2.37 2.43 -1.39 -1.89 114.38 118.11 1nd5 h ARG 3053Ca 0.29 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 59.18 1nd5 h ARG 3053Cb -0.03 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.24 1nd5 h ARG 3053CO -0.05 0.71 -1.14 0.87 -1.51 0.00 0.00 179.97 178.84 1nd5 h LYS 3054N 1.10 0.00 0.00 0.20 1.57 -1.27 -1.44 116.57 116.73 1nd5 h LYS 3054Ca 0.46 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.14 1nd5 h LYS 3054Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1nd5 h LYS 3054CO -0.21 0.86 -0.48 -0.09 -0.57 0.00 0.00 179.45 178.96 1nd5 h ARG 3055N 0.00 0.00 0.00 3.15 2.43 -0.77 -3.14 114.38 116.05 1nd5 h ARG 3055Ca -0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1nd5 h ARG 3055Cb 1.81 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.35 1nd5 h ARG 3055CO 0.12 0.48 -0.35 0.66 -1.51 0.00 0.00 179.97 179.37 1nd5 n TYR 3056N -3.94 0.00 -0.32 2.20 0.53 -0.75 -4.80 117.16 110.08 1nd5 n TYR 3056Ca -0.02 -1.30 0.13 0.00 -1.02 0.00 0.00 57.90 55.69 1nd5 n TYR 3056Cb 0.50 -0.21 0.36 0.00 -1.03 0.00 0.00 39.34 38.96 1nd5 n TYR 3056CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1nd5 h ARG 3057N 0.66 0.70 -0.63 -0.72 0.11 -1.21 0.17 114.38 113.46 1nd5 h ARG 3057Ca -0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1nd5 h ARG 3057Cb 1.02 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.94 1nd5 h ARG 3057CO 0.00 0.46 0.00 0.36 0.10 0.00 0.00 179.97 180.89 1nd5 n LYS 3058N -4.65 3.12 -0.05 0.08 2.85 -1.26 -2.66 118.16 115.59 1nd5 n LYS 3058Ca 0.21 -2.66 -0.02 0.00 -1.05 0.00 0.00 58.31 54.79 1nd5 n LYS 3058Cb 0.55 -1.65 -0.12 0.00 -0.65 0.00 0.00 35.03 33.16 1nd5 n LYS 3058CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1nd5 n PHE 3059N 1.20 0.00 -0.18 5.58 7.35 0.47 -4.54 117.46 127.35 1nd5 n PHE 3059Ca 0.23 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 1nd5 n PHE 3059Cb 0.70 -0.62 0.00 0.00 0.35 0.00 0.00 39.48 39.91 1nd5 n PHE 3059CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1nd5 n LEU 3060N -2.38 0.91 0.00 -2.13 4.77 -0.56 -4.94 117.00 112.66 1nd5 n LEU 3060Ca -0.17 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 1nd5 n LEU 3060Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1nd5 n LEU 3060CO 0.33 0.23 0.00 -0.46 -1.33 0.00 0.00 177.39 176.16 1nd5 n ASN 3061N -0.04 0.00 -4.55 -1.43 6.94 -1.09 -4.01 115.26 111.07 1nd5 n ASN 3061Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.17 1nd5 n ASN 3061Cb 0.07 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1nd5 n ASN 3061CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1nd5 s GLU 3062N -2.02 3.14 0.00 -3.83 8.01 -1.26 -4.84 118.70 117.90 1nd5 s GLU 3062Ca 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 54.97 54.58 1nd5 s GLU 3062Cb 0.00 -4.73 0.00 0.00 -4.31 0.00 0.00 34.13 25.09 1nd5 s GLU 3062CO 0.00 -2.44 0.36 0.43 0.01 0.00 0.00 175.26 173.62 1nd5 n SER 3063N 10.42 -0.71 -1.30 -0.19 7.64 -1.26 -4.30 113.62 123.93 1nd5 n SER 3063Ca 0.21 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1nd5 n SER 3063Cb 0.50 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1nd5 n SER 3063CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nd5 n TYR 3064N 1.79 -3.55 -3.15 1.43 9.36 -1.26 -4.91 117.16 116.87 1nd5 n TYR 3064Ca 0.00 1.92 0.05 0.00 3.32 0.00 0.00 57.90 63.18 1nd5 n TYR 3064Cb 0.18 -3.06 -0.01 0.00 -0.63 0.00 0.00 39.34 35.82 1nd5 n TYR 3064CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1nd5 s LYS 3065N -4.89 0.40 0.44 2.98 1.02 -1.26 -5.02 119.74 113.41 1nd5 s LYS 3065Ca 0.00 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.55 1nd5 s LYS 3065Cb 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 1nd5 s LYS 3065CO 0.00 -0.60 0.83 -2.39 -0.92 0.00 0.00 175.35 172.27 1nd5 n HIS 3066N 5.37 0.00 0.37 3.18 1.44 -1.26 0.34 115.22 124.67 1nd5 n HIS 3066Ca 0.02 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.82 1nd5 n HIS 3066Cb 0.54 0.00 0.25 0.00 0.12 0.00 0.00 29.99 30.89 1nd5 n HIS 3066CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1nd5 n GLU 3067N -1.99 2.22 -0.10 -1.40 0.00 -1.26 -4.01 120.64 114.10 1nd5 n GLU 3067Ca 0.00 -1.89 -0.14 0.00 0.00 0.00 0.00 57.16 55.13 1nd5 n GLU 3067Cb 0.83 -1.42 -0.09 0.00 0.00 0.00 0.00 31.44 30.76 1nd5 n GLU 3067CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1nd5 n GLN 3068N 1.04 0.48 -4.46 3.44 6.02 1.05 -4.25 117.38 120.70 1nd5 n GLN 3068Ca 0.18 0.12 -0.28 0.00 -0.01 0.00 0.00 57.00 57.01 1nd5 n GLN 3068Cb 0.45 -1.38 -0.13 0.00 1.02 0.00 0.00 30.24 30.21 1nd5 n GLN 3068CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nd5 s VAL 3069N -2.39 2.14 -0.13 5.09 1.01 -1.22 -0.69 120.40 124.20 1nd5 s VAL 3069Ca -0.27 -1.65 -0.03 0.00 0.00 0.00 0.00 61.98 60.03 1nd5 s VAL 3069Cb 0.07 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.61 1nd5 s VAL 3069CO 0.44 0.11 0.06 -0.47 0.00 0.00 0.00 175.10 175.24 1nd5 s TYR 3070N -1.03 0.44 -0.20 5.22 5.04 -0.81 -4.82 117.35 121.19 1nd5 s TYR 3070Ca 0.12 -0.30 -0.06 0.00 -2.44 0.00 0.00 57.07 54.40 1nd5 s TYR 3070Cb -0.10 -0.75 -0.03 0.00 0.35 0.00 0.00 41.96 41.44 1nd5 s TYR 3070CO 0.05 -0.44 0.02 0.42 -1.34 0.00 0.00 175.55 174.26 1nd5 s ILE 3071N 2.05 4.13 -0.09 3.14 1.09 -1.26 -1.95 121.20 128.30 1nd5 s ILE 3071Ca 0.02 -0.25 0.03 0.00 -1.10 0.00 0.00 60.65 59.35 1nd5 s ILE 3071Cb -0.15 -2.87 0.01 0.00 -1.06 0.00 0.00 42.46 38.39 1nd5 s ILE 3071CO -0.07 0.42 -0.17 -0.60 -0.10 0.00 0.00 174.94 174.42 1nd5 s ARG 3072N 0.95 2.34 0.37 2.79 3.52 0.42 -1.41 118.95 127.93 1nd5 s ARG 3072Ca 0.02 -0.62 0.05 0.00 -0.13 0.00 0.00 55.73 55.04 1nd5 s ARG 3072Cb -0.14 -1.88 -0.06 0.00 -1.56 0.00 0.00 34.95 31.30 1nd5 s ARG 3072CO 0.02 0.04 0.04 0.45 -0.81 0.00 0.00 175.30 175.05 1nd5 s SER 3073N 0.67 2.98 0.27 -2.12 0.15 -0.37 -0.77 113.70 114.52 1nd5 s SER 3073Ca -0.13 -1.40 -0.08 0.00 0.70 0.00 0.00 55.95 55.03 1nd5 s SER 3073Cb -0.16 -0.13 -0.06 0.00 -1.71 0.00 0.00 66.02 63.95 1nd5 s SER 3073CO 0.03 -0.58 0.57 0.42 1.20 0.00 0.00 173.24 174.88 1nd5 s THR 3074N -3.08 4.95 -1.01 6.45 -4.23 -0.98 -4.08 115.64 113.66 1nd5 s THR 3074Ca 0.34 0.34 -0.19 0.00 -1.18 0.00 0.00 61.69 61.01 1nd5 s THR 3074Cb 0.09 -3.67 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 1nd5 s THR 3074CO 0.16 -0.20 2.05 -0.67 -0.54 0.00 0.00 174.62 175.41 1nd5 n ASP 3075N -0.53 3.17 -3.80 3.99 2.03 -1.22 -4.36 116.55 115.82 1nd5 n ASP 3075Ca -0.00 -2.71 -0.13 0.00 0.52 0.00 0.00 54.79 52.47 1nd5 n ASP 3075Cb 0.53 -1.29 -0.14 0.00 -0.72 0.00 0.00 41.12 39.50 1nd5 n ASP 3075CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1nd5 s VAL 3076N 4.31 -0.03 0.28 5.18 1.01 -1.26 -4.69 120.40 125.20 1nd5 s VAL 3076Ca 0.54 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.65 1nd5 s VAL 3076Cb 0.14 -0.13 0.28 0.00 0.00 0.00 0.00 36.38 36.67 1nd5 s VAL 3076CO 0.04 0.05 1.73 0.44 0.00 0.00 0.00 175.10 177.35 1nd5 h ASP 3077N 6.72 0.46 0.78 3.32 3.45 -1.93 -0.23 116.42 128.99 1nd5 h ASP 3077Ca -0.35 0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.20 1nd5 h ASP 3077Cb 1.16 0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1nd5 h ASP 3077CO 0.46 0.10 -0.15 0.08 -1.57 0.00 0.00 179.24 178.16 1nd5 h ARG 3078N 0.51 0.00 0.11 3.56 0.11 -1.95 0.41 114.38 117.13 1nd5 h ARG 3078Ca 0.54 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 60.27 1nd5 h ARG 3078Cb 0.93 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.99 1nd5 h ARG 3078CO -0.46 0.15 -1.89 1.79 0.10 0.00 0.00 179.97 179.66 1nd5 h THR 3079N 0.00 0.73 -0.09 0.08 1.35 -1.44 -2.75 112.91 110.79 1nd5 h THR 3079Ca -0.00 -2.45 -0.10 0.00 -0.55 0.00 0.00 66.41 63.31 1nd5 h THR 3079Cb 0.58 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.53 1nd5 h THR 3079CO 0.02 0.82 -0.39 -0.07 -0.25 0.00 0.00 175.52 175.66 1nd5 h LEU 3080N 0.06 0.20 0.06 3.87 3.38 -1.01 -0.65 115.31 121.21 1nd5 h LEU 3080Ca -0.38 -0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.24 1nd5 h LEU 3080Cb 2.04 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.75 1nd5 h LEU 3080CO 0.10 0.57 -1.19 0.24 0.09 0.00 0.00 178.44 178.25 1nd5 h MET 3081N 0.16 0.40 -0.33 1.13 2.86 -1.04 -1.93 114.93 116.18 1nd5 h MET 3081Ca 0.02 -0.58 -0.06 0.00 -2.06 0.00 0.00 59.70 57.02 1nd5 h MET 3081Cb 0.76 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1nd5 h MET 3081CO 0.06 1.24 -0.02 0.77 1.06 0.00 0.00 176.91 180.03 1nd5 h SER 3082N 0.16 0.58 -0.31 1.22 0.02 -1.37 -0.79 113.55 113.06 1nd5 h SER 3082Ca -0.14 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1nd5 h SER 3082Cb 1.88 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.24 1nd5 h SER 3082CO 0.21 0.76 0.18 0.00 -1.14 0.00 0.00 176.83 176.84 1nd5 h ALA 3083N 0.84 0.39 -0.19 3.77 0.00 -1.16 0.46 119.26 123.38 1nd5 h ALA 3083Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1nd5 h ALA 3083Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nd5 h ALA 3083CO 0.02 -0.18 -0.04 0.52 0.00 0.00 0.00 179.25 179.57 1nd5 h MET 3084N 0.37 0.36 -0.96 0.00 2.86 -1.31 -2.17 114.93 114.09 1nd5 h MET 3084Ca 0.12 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1nd5 h MET 3084Cb -0.00 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 1nd5 h MET 3084CO -0.06 0.62 0.63 1.15 1.06 0.00 0.00 176.91 180.31 1nd5 h THR 3085N 0.08 1.21 -0.39 2.22 2.02 -0.91 0.84 112.91 117.99 1nd5 h THR 3085Ca 0.05 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1nd5 h THR 3085Cb 0.48 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1nd5 h THR 3085CO 0.02 0.23 0.22 -1.13 0.37 0.00 0.00 175.52 175.23 1nd5 h ASN 3086N 1.26 0.48 0.67 4.18 -0.73 -0.00 -2.50 115.58 118.94 1nd5 h ASN 3086Ca 0.36 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.43 1nd5 h ASN 3086Cb -0.09 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.38 1nd5 h ASN 3086CO -0.09 0.41 -0.16 -0.07 -0.37 0.00 0.00 177.43 177.15 1nd5 h LEU 3087N 0.50 0.00 -0.21 0.34 3.38 -0.62 -1.70 115.31 117.00 1nd5 h LEU 3087Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1nd5 h LEU 3087Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1nd5 h LEU 3087CO -0.02 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1nd5 n ALA 3088N -2.23 1.83 -0.02 1.53 0.00 0.20 -2.12 120.51 119.69 1nd5 n ALA 3088Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1nd5 n ALA 3088Cb 0.33 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 1nd5 n ALA 3088CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nd5 n ALA 3089N -1.61 2.05 0.02 0.00 0.00 -0.89 -4.15 120.51 115.94 1nd5 n ALA 3089Ca 0.04 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 1nd5 n ALA 3089Cb 0.24 -0.10 0.04 0.00 0.00 0.00 0.00 19.45 19.63 1nd5 n ALA 3089CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nd5 h LEU 3090N 0.00 0.59 -6.58 0.00 6.46 -1.18 -3.39 115.31 111.20 1nd5 h LEU 3090Ca -0.11 -0.34 -0.60 0.00 -0.12 0.00 0.00 57.88 56.71 1nd5 h LEU 3090Cb 0.96 -0.17 -0.39 0.00 -0.73 0.00 0.00 40.66 40.33 1nd5 h LEU 3090CO 0.01 1.06 -0.87 -0.36 -0.62 0.00 0.00 178.44 177.66 1nd5 s PHE 3091N -3.86 1.54 0.76 1.25 2.99 -0.90 -4.79 117.98 114.98 1nd5 s PHE 3091Ca -0.07 -2.41 -0.11 0.00 0.00 0.00 0.00 56.93 54.33 1nd5 s PHE 3091Cb 0.11 -1.31 0.05 0.00 0.00 0.00 0.00 43.02 41.86 1nd5 s PHE 3091CO 0.84 -0.78 1.10 -1.25 -0.00 0.00 0.00 175.22 175.13 1nd5 s PRO 3092N -0.03 2.37 0.45 0.24 0.04 -1.26 -4.76 135.00 132.05 1nd5 s PRO 3092Ca 0.28 0.59 -0.25 0.00 0.04 0.00 0.00 61.00 61.66 1nd5 s PRO 3092Cb -0.04 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1nd5 s PRO 3092CO -0.15 -1.41 1.37 -1.25 0.04 0.00 0.00 177.00 175.61 1nd5 s PRO 3093N -5.22 3.68 0.00 0.56 0.04 -1.26 -4.93 135.00 127.86 1nd5 s PRO 3093Ca 0.60 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1nd5 s PRO 3093Cb -0.13 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1nd5 s PRO 3093CO 0.53 -0.78 0.00 -0.85 0.04 0.00 0.00 177.00 175.94 1nd5 n GLU 3094N -0.26 0.00 0.00 4.56 0.28 -1.26 -4.92 120.64 119.05 1nd5 n GLU 3094Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1nd5 n GLU 3094Cb 0.43 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.30 1nd5 n GLU 3094CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nd5 n GLY 3095N 0.00 1.40 0.34 -1.84 0.00 -1.26 -3.51 105.19 100.32 1nd5 n GLY 3095Ca 0.00 -0.59 0.18 0.00 0.00 0.00 0.00 46.02 45.62 1nd5 n GLY 3095CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1nd5 h VAL 3096N 0.00 0.15 0.00 1.61 3.04 -2.00 0.23 116.25 119.28 1nd5 h VAL 3096Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1nd5 h VAL 3096Cb 0.00 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 1nd5 h VAL 3096CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 1nd5 n SER 3097N -3.23 0.75 -4.56 3.17 7.64 -1.23 -4.67 113.62 111.49 1nd5 n SER 3097Ca -0.01 0.60 -0.39 0.00 1.01 0.00 0.00 58.87 60.08 1nd5 n SER 3097Cb 0.30 -0.79 -0.11 0.00 -1.01 0.00 0.00 64.21 62.60 1nd5 n SER 3097CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1nd5 s ILE 3098N -3.16 5.30 0.00 0.44 1.01 0.07 -4.51 121.20 120.34 1nd5 s ILE 3098Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1nd5 s ILE 3098Cb 0.12 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1nd5 s ILE 3098CO 0.53 0.12 0.00 -2.67 0.00 0.00 0.00 174.94 172.92 1nd5 n TRP 3099N 5.08 0.00 -3.72 3.97 4.27 -1.26 -4.88 117.44 120.90 1nd5 n TRP 3099Ca -0.13 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.35 1nd5 n TRP 3099Cb 0.51 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.32 1nd5 n TRP 3099CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1nd5 s ASN 3100N -1.25 -0.13 0.51 -0.67 2.47 -1.26 -5.04 114.94 109.57 1nd5 s ASN 3100Ca 0.00 0.47 0.33 0.00 0.42 0.00 0.00 52.86 54.08 1nd5 s ASN 3100Cb 0.00 0.37 1.41 0.00 -1.45 0.00 0.00 41.25 41.59 1nd5 s ASN 3100CO 0.00 -0.17 1.98 -0.65 -3.72 0.00 0.00 177.10 174.54 1nd5 h PRO 3101N 7.35 0.00 0.00 0.43 0.11 -2.01 -3.38 132.00 134.50 1nd5 h PRO 3101Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1nd5 h PRO 3101Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1nd5 h PRO 3101CO 0.36 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.26 1nd5 n ILE 3102N -2.94 0.00 -3.01 4.15 5.41 -1.26 -4.66 119.36 117.05 1nd5 n ILE 3102Ca 0.00 0.22 -0.44 0.00 1.00 0.00 0.00 62.75 63.54 1nd5 n ILE 3102Cb 0.26 -0.64 -0.04 0.00 -0.71 0.00 0.00 39.64 38.51 1nd5 n ILE 3102CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1nd5 s LEU 3103N -0.06 5.10 -0.56 1.39 0.20 -1.26 -5.00 118.68 118.48 1nd5 s LEU 3103Ca 0.00 -1.47 -0.27 0.00 0.69 0.00 0.00 54.13 53.08 1nd5 s LEU 3103Cb 0.00 -2.35 -0.01 0.00 -0.43 0.00 0.00 46.19 43.40 1nd5 s LEU 3103CO 0.00 -1.18 1.68 -0.76 -0.29 0.00 0.00 176.35 175.80 1nd5 s LEU 3104N 2.98 3.34 0.00 -0.68 1.43 -1.26 -4.84 118.68 119.65 1nd5 s LEU 3104Ca 0.19 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1nd5 s LEU 3104Cb -0.18 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1nd5 s LEU 3104CO 0.04 -2.04 0.00 1.87 0.23 0.00 0.00 176.35 176.44 1nd5 n TRP 3105N 11.21 0.00 -4.54 0.29 -0.00 -1.26 -4.86 117.44 118.28 1nd5 n TRP 3105Ca 0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.42 1nd5 n TRP 3105Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.70 1nd5 n TRP 3105CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 177.69 178.83 1nd5 s GLN 3106N -2.00 1.81 1.02 5.87 -2.07 -1.26 -4.89 119.66 118.14 1nd5 s GLN 3106Ca 0.00 -2.00 -0.14 0.00 -1.82 0.00 0.00 55.36 51.40 1nd5 s GLN 3106Cb 0.00 -1.38 0.20 0.00 -1.09 0.00 0.00 33.01 30.74 1nd5 s GLN 3106CO 0.00 -0.05 1.13 -1.25 -1.32 0.00 0.00 175.29 173.80 1nd5 s PRO 3107N -3.75 0.22 0.00 9.60 0.04 -1.26 -5.04 135.00 134.81 1nd5 s PRO 3107Ca 0.34 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1nd5 s PRO 3107Cb 0.08 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1nd5 s PRO 3107CO 0.16 -2.81 0.00 0.44 0.04 0.00 0.00 177.00 174.83 1nd5 n ILE 3108N -4.18 0.00 -1.53 0.56 -5.35 -1.26 -5.15 119.36 102.46 1nd5 n ILE 3108Ca 0.08 0.00 -0.48 0.00 -0.27 0.00 0.00 62.75 62.08 1nd5 n ILE 3108Cb 0.59 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 1nd5 n ILE 3108CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1nd5 n PRO 3109N 0.00 0.81 -3.93 6.28 -0.04 -1.26 -4.96 135.00 131.90 1nd5 n PRO 3109Ca 0.00 0.29 -0.30 0.00 -0.04 0.00 0.00 63.50 63.44 1nd5 n PRO 3109Cb 0.00 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 31.72 1nd5 n PRO 3109CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nd5 s VAL 3110N -0.67 2.67 0.46 0.52 1.01 -1.26 -4.46 120.40 118.67 1nd5 s VAL 3110Ca 0.68 -3.36 -0.24 0.00 0.00 0.00 0.00 61.98 59.05 1nd5 s VAL 3110Cb -0.86 -2.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1nd5 s VAL 3110CO 0.56 -0.82 1.34 -1.00 0.00 0.00 0.00 175.10 175.19 1nd5 s HIS 3111N -0.35 2.57 0.31 5.22 3.76 -0.50 -4.80 115.29 121.50 1nd5 s HIS 3111Ca 0.17 1.37 -0.06 0.00 -0.15 0.00 0.00 55.06 56.40 1nd5 s HIS 3111Cb -0.25 -3.75 -0.00 0.00 1.11 0.00 0.00 32.58 29.70 1nd5 s HIS 3111CO -0.01 -2.50 0.46 -0.08 -0.85 0.00 0.00 174.74 171.76 1nd5 s THR 3112N -1.29 0.00 0.00 1.30 -1.32 -1.26 -1.23 115.64 111.84 1nd5 s THR 3112Ca 0.63 -1.56 0.01 0.00 -1.21 0.00 0.00 61.69 59.55 1nd5 s THR 3112Cb -0.39 -2.52 -0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1nd5 s THR 3112CO 0.49 0.00 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.19 1nd5 s VAL 3113N -3.37 0.19 0.14 5.08 1.01 -1.26 -5.01 120.40 117.18 1nd5 s VAL 3113Ca 0.29 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 1nd5 s VAL 3113Cb -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 36.38 36.09 1nd5 s VAL 3113CO 0.16 -0.00 1.75 -2.16 0.00 0.00 0.00 175.10 174.85 1nd5 s PRO 3114N -0.21 4.15 0.23 2.72 0.04 -1.26 -3.42 135.00 137.25 1nd5 s PRO 3114Ca -0.01 2.53 0.07 0.00 0.04 0.00 0.00 61.00 63.64 1nd5 s PRO 3114Cb -0.02 -3.44 0.70 0.00 0.04 0.00 0.00 34.50 31.78 1nd5 s PRO 3114CO -0.00 -0.78 1.07 1.28 0.04 0.00 0.00 177.00 178.61 1nd5 n LEU 3115N 5.13 0.06 0.00 -3.56 4.77 -1.26 0.14 117.00 122.28 1nd5 n LEU 3115Ca 0.17 1.15 0.06 0.00 -0.03 0.00 0.00 56.01 57.36 1nd5 n LEU 3115Cb 0.38 -0.48 0.32 0.00 -2.33 0.00 0.00 43.42 41.31 1nd5 n LEU 3115CO 0.64 -1.22 0.67 -1.54 -1.33 0.00 0.00 177.39 174.62 1nd5 n SER 3116N -4.75 0.00 0.00 -1.43 3.41 -1.26 -2.63 113.62 106.96 1nd5 n SER 3116Ca 0.20 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1nd5 n SER 3116Cb 0.68 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1nd5 n SER 3116CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nd5 n GLU 3117N -1.33 0.62 -2.19 4.33 1.02 0.36 -5.02 120.64 118.43 1nd5 n GLU 3117Ca 0.06 -0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 56.12 1nd5 n GLU 3117Cb 0.11 -0.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.78 1nd5 n GLU 3117CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nd5 s ASP 3118N -0.27 5.93 -0.31 1.62 -1.08 -0.78 -4.85 116.67 116.93 1nd5 s ASP 3118Ca 0.00 0.73 0.09 0.00 -0.52 0.00 0.00 52.55 52.85 1nd5 s ASP 3118Cb 0.00 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.48 1nd5 s ASP 3118CO 0.00 -1.78 1.56 0.00 0.52 0.00 0.00 175.17 175.47 1nd5 n GLN 3119N 8.56 2.14 0.09 4.34 10.64 -1.26 -4.55 117.38 137.34 1nd5 n GLN 3119Ca 0.18 -3.11 0.00 0.00 -1.83 0.00 0.00 57.00 52.24 1nd5 n GLN 3119Cb 0.49 -1.91 0.00 0.00 -0.86 0.00 0.00 30.24 27.96 1nd5 n GLN 3119CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1nd5 n LEU 3120N -1.01 0.31 -0.10 2.61 7.94 -1.26 -4.92 117.00 120.57 1nd5 n LEU 3120Ca 0.37 0.29 -0.10 0.00 -1.11 0.00 0.00 56.01 55.46 1nd5 n LEU 3120Cb 1.16 0.08 -0.14 0.00 0.53 0.00 0.00 43.42 45.04 1nd5 n LEU 3120CO 0.27 -0.70 -1.14 0.18 -1.11 0.00 0.00 177.39 174.90 1nd5 n LEU 3121N -3.37 0.38 -3.41 -1.96 4.77 -1.26 -4.58 117.00 107.58 1nd5 n LEU 3121Ca 0.00 -0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.61 1nd5 n LEU 3121Cb 0.04 0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1nd5 n LEU 3121CO 0.00 0.52 2.76 0.00 -1.33 0.00 0.00 177.39 179.34 1nd5 n TYR 3122N -2.77 2.26 -2.09 -1.77 -0.00 -1.26 -4.55 117.16 106.99 1nd5 n TYR 3122Ca -0.32 -2.54 -0.32 0.00 -0.00 0.00 0.00 57.90 54.71 1nd5 n TYR 3122Cb 1.10 -2.15 -0.00 0.00 -0.00 0.00 0.00 39.34 38.28 1nd5 n TYR 3122CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nd5 s LEU 3123N 0.73 3.43 0.14 2.98 1.02 -1.26 -4.33 118.68 121.40 1nd5 s LEU 3123Ca 0.54 1.58 -0.16 0.00 0.02 0.00 0.00 54.13 56.11 1nd5 s LEU 3123Cb 0.14 -4.50 -0.07 0.00 0.02 0.00 0.00 46.19 41.78 1nd5 s LEU 3123CO -0.03 -0.87 0.58 -2.16 0.02 0.00 0.00 176.35 173.88 1nd5 s PRO 3124N -4.49 4.06 0.11 1.29 0.04 -1.26 -4.65 135.00 130.10 1nd5 s PRO 3124Ca 0.59 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.91 1nd5 s PRO 3124Cb -0.12 -2.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.34 1nd5 s PRO 3124CO 0.41 0.50 1.74 -0.06 0.04 0.00 0.00 177.00 179.64 1nd5 s PHE 3125N -1.40 2.34 -2.22 0.56 0.08 -1.26 -4.87 117.98 111.21 1nd5 s PHE 3125Ca 0.37 0.16 0.24 0.00 0.12 0.00 0.00 56.93 57.81 1nd5 s PHE 3125Cb -0.16 -4.08 0.17 0.00 -0.57 0.00 0.00 43.02 38.38 1nd5 s PHE 3125CO 0.19 -4.38 1.21 0.54 -0.10 0.00 0.00 175.22 172.69 1nd5 n ARG 3126N 5.47 1.41 -1.30 0.44 3.00 -1.26 -4.34 116.66 120.08 1nd5 n ARG 3126Ca 0.17 -1.12 -0.30 0.00 -0.01 0.00 0.00 57.85 56.58 1nd5 n ARG 3126Cb 0.39 -1.48 0.12 0.00 0.00 0.00 0.00 32.46 31.49 1nd5 n ARG 3126CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1nd5 n ASN 3127N 0.19 6.17 -3.79 0.55 2.04 -1.26 -4.77 115.26 114.39 1nd5 n ASN 3127Ca 0.11 -3.73 -0.30 0.00 -0.44 0.00 0.00 54.58 50.22 1nd5 n ASN 3127Cb 0.48 -0.91 -0.14 0.00 -2.53 0.00 0.00 39.78 36.68 1nd5 n ASN 3127CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nd5 h PRO 3129N 6.89 -0.04 -0.63 0.00 0.11 -1.86 -1.23 132.00 135.23 1nd5 h PRO 3129Ca -0.04 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.20 1nd5 h PRO 3129Cb 0.94 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.96 1nd5 h PRO 3129CO 0.53 -0.03 0.06 -0.09 -0.21 0.00 0.00 178.00 178.27 1nd5 h ARG 3130N -0.05 0.17 -0.18 1.05 9.65 -1.54 0.23 114.38 123.72 1nd5 h ARG 3130Ca 0.31 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.22 1nd5 h ARG 3130Cb 0.58 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 1nd5 h ARG 3130CO -0.91 0.11 -0.08 0.35 2.80 0.00 0.00 179.97 182.24 1nd5 h PHE 3131N 0.18 -0.20 -0.89 2.20 3.57 -1.54 0.91 116.94 121.17 1nd5 h PHE 3131Ca 0.33 0.02 0.18 0.00 3.53 0.00 0.00 57.97 62.03 1nd5 h PHE 3131Cb 0.53 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 1nd5 h PHE 3131CO -0.31 -0.13 0.58 1.96 -2.23 0.00 0.00 178.31 178.17 1nd5 h GLN 3132N -0.06 0.49 -0.10 1.11 1.08 -0.10 1.03 115.11 118.55 1nd5 h GLN 3132Ca 0.10 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1nd5 h GLN 3132Cb 0.21 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1nd5 h GLN 3132CO -0.22 0.33 -0.08 0.93 -0.95 0.00 0.00 178.83 178.83 1nd5 h GLU 3133N 0.51 0.24 -1.00 1.46 5.08 0.71 -2.63 114.58 118.95 1nd5 h GLU 3133Ca 0.46 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1nd5 h GLU 3133Cb 1.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 1nd5 h GLU 3133CO -0.19 0.64 0.66 -0.07 -1.00 0.00 0.00 179.01 179.04 1nd5 h LEU 3134N -0.15 1.10 -0.54 1.33 3.38 0.20 -0.08 115.31 120.55 1nd5 h LEU 3134Ca 0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1nd5 h LEU 3134Cb 0.58 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1nd5 h LEU 3134CO 0.02 0.76 0.35 -0.08 0.09 0.00 0.00 178.44 179.59 1nd5 h GLU 3135N 1.28 0.70 0.47 1.13 4.81 0.91 0.50 114.58 124.37 1nd5 h GLU 3135Ca 0.39 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1nd5 h GLU 3135Cb -0.03 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1nd5 h GLU 3135CO -0.12 0.46 -0.22 0.77 -0.73 0.00 0.00 179.01 179.17 1nd5 h SER 3136N 0.72 -0.53 -0.86 1.04 0.02 -0.98 -2.44 113.55 110.52 1nd5 h SER 3136Ca 0.20 -0.07 0.22 0.00 -0.84 0.00 0.00 61.79 61.30 1nd5 h SER 3136Cb -0.08 0.14 -0.13 0.00 0.14 0.00 0.00 62.40 62.47 1nd5 h SER 3136CO -0.05 -0.23 0.29 -0.33 -1.14 0.00 0.00 176.83 175.37 1nd5 h GLU 3137N -0.84 0.28 -0.16 3.45 5.08 -0.90 0.41 114.58 121.89 1nd5 h GLU 3137Ca -0.06 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1nd5 h GLU 3137Cb 0.57 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1nd5 h GLU 3137CO 0.11 0.18 -0.11 1.15 -1.00 0.00 0.00 179.01 179.34 1nd5 h THR 3138N 0.29 0.68 -0.41 1.13 2.02 -0.64 0.10 112.91 116.08 1nd5 h THR 3138Ca 0.54 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.67 1nd5 h THR 3138Cb 1.04 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1nd5 h THR 3138CO -0.59 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.28 1nd5 h LEU 3139N -0.11 0.59 -1.79 2.58 -0.00 -0.47 -2.24 115.31 113.87 1nd5 h LEU 3139Ca 0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1nd5 h LEU 3139Cb 0.25 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1nd5 h LEU 3139CO -0.23 0.63 0.00 0.29 -0.00 0.00 0.00 178.44 179.13 1nd5 n LYS 3140N -4.28 2.14 -2.59 1.13 5.02 -0.69 -4.64 118.16 114.24 1nd5 n LYS 3140Ca 0.02 -1.76 -0.34 0.00 -2.02 0.00 0.00 58.31 54.22 1nd5 n LYS 3140Cb 0.23 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 1nd5 n LYS 3140CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nd5 s SER 3141N -1.12 6.49 0.27 4.39 1.04 0.33 -4.96 113.70 120.15 1nd5 s SER 3141Ca 0.34 1.90 0.05 0.00 0.48 0.00 0.00 55.95 58.72 1nd5 s SER 3141Cb 0.18 -2.56 0.38 0.00 0.10 0.00 0.00 66.02 64.12 1nd5 s SER 3141CO 0.24 -0.68 1.66 -0.08 0.98 0.00 0.00 173.24 175.36 1nd5 h GLU 3142N 1.74 0.28 0.00 4.02 4.81 -1.88 -2.86 114.58 120.69 1nd5 h GLU 3142Ca -0.49 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 58.53 1nd5 h GLU 3142Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1nd5 h GLU 3142CO 0.60 0.68 -0.32 1.49 -0.73 0.00 0.00 179.01 180.73 1nd5 h GLU 3143N 0.23 0.00 0.08 1.92 4.57 -1.92 -3.17 114.58 116.29 1nd5 h GLU 3143Ca 0.02 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1nd5 h GLU 3143Cb 0.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1nd5 h GLU 3143CO 0.07 0.32 -0.04 0.35 -1.18 0.00 0.00 179.01 178.53 1nd5 h PHE 3144N 0.00 -0.10 -1.00 0.92 3.57 -1.74 -3.33 116.94 115.27 1nd5 h PHE 3144Ca -0.00 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1nd5 h PHE 3144Cb 0.97 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.66 1nd5 h PHE 3144CO 0.00 0.44 0.63 1.96 -2.23 0.00 0.00 178.31 179.11 1nd5 h GLN 3145N -0.86 0.94 -0.52 1.11 1.08 -1.62 0.19 115.11 115.43 1nd5 h GLN 3145Ca -0.01 -0.06 0.15 0.00 -1.45 0.00 0.00 58.65 57.28 1nd5 h GLN 3145Cb 0.59 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1nd5 h GLN 3145CO 0.02 0.62 0.57 0.87 -0.95 0.00 0.00 178.83 179.96 1nd5 h LYS 3146N 0.97 0.00 0.04 1.46 6.56 -1.65 0.20 116.57 124.15 1nd5 h LYS 3146Ca 0.50 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.75 1nd5 h LYS 3146Cb 0.52 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.13 1nd5 h LYS 3146CO -0.26 0.00 -1.97 0.54 -2.06 0.00 0.00 179.45 175.70 1nd5 n ARG 3147N -3.66 0.68 0.12 3.15 1.74 0.02 -4.34 116.66 114.38 1nd5 n ARG 3147Ca 0.10 0.23 -0.01 0.00 -0.77 0.00 0.00 57.85 57.41 1nd5 n ARG 3147Cb 0.77 -1.70 0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1nd5 n ARG 3147CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1nd5 h LEU 3148N 0.02 0.00 -0.24 0.55 5.85 -0.46 -3.37 115.31 117.66 1nd5 h LEU 3148Ca -0.40 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.39 1nd5 h LEU 3148Cb 2.04 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 43.00 1nd5 h LEU 3148CO 0.06 0.67 -0.22 -0.74 -0.34 0.00 0.00 178.44 177.86 1nd5 h HIS 3149N 0.00 -0.58 0.00 1.25 2.76 -0.94 -2.35 115.15 115.29 1nd5 h HIS 3149Ca -0.01 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1nd5 h HIS 3149Cb 1.42 0.29 0.00 0.00 1.55 0.00 0.00 27.41 30.67 1nd5 h HIS 3149CO 0.00 -0.30 0.00 -2.30 -1.30 0.00 0.00 177.93 174.03 1nd5 n PRO 3150N -5.37 0.00 0.01 5.26 -0.02 -1.26 -2.49 135.00 131.13 1nd5 n PRO 3150Ca -0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 1nd5 n PRO 3150Cb 0.28 -1.43 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 1nd5 n PRO 3150CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1nd5 n TYR 3151N -0.67 0.00 0.00 6.00 4.02 -0.89 -4.94 117.16 120.68 1nd5 n TYR 3151Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1nd5 n TYR 3151Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 1nd5 n TYR 3151CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1nd5 n LYS 3152N -3.44 0.00 0.00 -0.72 4.81 -1.04 -1.18 118.16 116.59 1nd5 n LYS 3152Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1nd5 n LYS 3152Cb 0.10 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.15 1nd5 n LYS 3152CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nd5 n ASP 3153N 0.07 0.00 -0.21 3.14 9.92 -1.26 -1.65 116.55 126.56 1nd5 n ASP 3153Ca 0.00 0.74 0.11 0.00 -0.53 0.00 0.00 54.79 55.11 1nd5 n ASP 3153Cb 0.00 -0.24 0.21 0.00 -0.64 0.00 0.00 41.12 40.44 1nd5 n ASP 3153CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1nd5 n PHE 3154N -1.77 0.44 -0.26 1.24 7.35 -0.33 0.57 117.46 124.70 1nd5 n PHE 3154Ca 0.00 0.73 -0.07 0.00 -0.76 0.00 0.00 57.45 57.35 1nd5 n PHE 3154Cb 0.00 -0.99 0.05 0.00 0.35 0.00 0.00 39.48 38.89 1nd5 n PHE 3154CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1nd5 h ILE 3155N 0.00 1.25 0.14 -2.13 2.04 -1.44 0.30 117.51 117.67 1nd5 h ILE 3155Ca 0.39 -0.80 -0.24 0.00 1.00 0.00 0.00 64.86 65.21 1nd5 h ILE 3155Cb 0.86 0.44 0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1nd5 h ILE 3155CO -0.55 0.32 -1.03 0.00 0.00 0.00 0.00 178.15 176.89 1nd5 h ALA 3156N 1.13 -0.06 0.00 1.87 0.00 0.61 -2.44 119.26 120.37 1nd5 h ALA 3156Ca 0.24 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1nd5 h ALA 3156Cb 0.23 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nd5 h ALA 3156CO -0.02 0.52 -0.04 1.79 0.00 0.00 0.00 179.25 181.50 1nd5 h THR 3157N -0.05 0.49 0.23 0.00 1.35 -0.95 -1.73 112.91 112.25 1nd5 h THR 3157Ca -0.17 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 1nd5 h THR 3157Cb 1.77 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1nd5 h THR 3157CO 0.20 0.04 -0.11 0.25 -0.25 0.00 0.00 175.52 175.65 1nd5 h LEU 3158N 0.00 -0.26 -2.11 3.87 5.85 -0.32 -3.14 115.31 119.21 1nd5 h LEU 3158Ca -0.00 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1nd5 h LEU 3158Cb 0.13 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1nd5 h LEU 3158CO 0.01 0.25 0.32 1.23 -0.34 0.00 0.00 178.44 179.90 1nd5 h GLY 3159N -0.89 0.00 0.96 3.75 0.00 -0.85 0.44 103.07 106.48 1nd5 h GLY 3159Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1nd5 h GLY 3159CO 0.05 0.00 -0.35 1.70 0.00 0.00 0.00 176.54 177.94 1nd5 h LYS 3160N 0.00 0.67 0.13 4.80 1.63 -1.31 0.84 116.57 123.32 1nd5 h LYS 3160Ca 0.11 -0.39 -0.01 0.00 -0.85 0.00 0.00 60.65 59.51 1nd5 h LYS 3160Cb 0.75 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1nd5 h LYS 3160CO -0.00 1.01 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.87 1nd5 h LEU 3161N 0.39 -0.15 -1.36 5.20 3.38 -0.55 -3.26 115.31 118.95 1nd5 h LEU 3161Ca 0.03 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 1nd5 h LEU 3161Cb 0.93 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1nd5 h LEU 3161CO 0.08 0.45 -0.32 0.77 0.09 0.00 0.00 178.44 179.51 1nd5 h SER 3162N -0.87 0.00 -1.85 -0.43 4.64 -0.39 -3.43 113.55 111.22 1nd5 h SER 3162Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1nd5 h SER 3162Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1nd5 h SER 3162CO 0.03 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 1nd5 n GLY 3163N -0.54 0.69 3.17 -0.77 0.00 0.23 -3.02 105.19 104.95 1nd5 n GLY 3163Ca -0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1nd5 n GLY 3163CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nd5 s LEU 3164N -1.85 -0.35 -0.43 0.99 1.43 0.20 -4.74 118.68 113.93 1nd5 s LEU 3164Ca 0.00 0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1nd5 s LEU 3164Cb 0.00 1.10 0.12 0.00 0.03 0.00 0.00 46.19 47.43 1nd5 s LEU 3164CO 0.00 -0.22 0.19 -1.00 0.23 0.00 0.00 176.35 175.55 1nd5 s HIS 3165N 2.21 3.59 0.00 0.29 3.76 -1.26 -3.97 115.29 119.90 1nd5 s HIS 3165Ca -0.03 -2.69 0.00 0.00 -0.15 0.00 0.00 55.06 52.19 1nd5 s HIS 3165Cb -0.11 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.47 1nd5 s HIS 3165CO -0.11 -0.93 0.00 0.41 -0.85 0.00 0.00 174.74 173.26 1nd5 n GLY 3166N 4.23 -1.89 2.24 -2.22 0.00 -1.26 -5.04 105.19 101.25 1nd5 n GLY 3166Ca 0.01 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1nd5 n GLY 3166CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nd5 n GLN 3167N 0.00 0.00 -3.10 1.61 7.27 -1.26 -4.75 117.38 117.15 1nd5 n GLN 3167Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 1nd5 n GLN 3167Cb 0.00 -0.53 -0.06 0.00 2.41 0.00 0.00 30.24 32.06 1nd5 n GLN 3167CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1nd5 s ASP 3168N 0.07 6.57 0.66 1.69 2.15 -1.26 -4.94 116.67 121.60 1nd5 s ASP 3168Ca 0.00 0.64 0.43 0.00 0.43 0.00 0.00 52.55 54.06 1nd5 s ASP 3168Cb 0.00 -2.34 2.36 0.00 -0.30 0.00 0.00 42.92 42.64 1nd5 s ASP 3168CO 0.00 -0.41 2.36 -0.07 -0.17 0.00 0.00 175.17 176.88 1nd5 h LEU 3169N 9.01 0.00 -0.28 -1.34 3.38 -1.94 -0.61 115.31 123.53 1nd5 h LEU 3169Ca -0.27 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.51 1nd5 h LEU 3169Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1nd5 h LEU 3169CO 0.79 0.00 -0.87 0.15 0.09 0.00 0.00 178.44 178.59 1nd5 h PHE 3170N 0.00 0.15 0.42 1.13 3.57 -1.93 -3.17 116.94 117.10 1nd5 h PHE 3170Ca -0.00 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1nd5 h PHE 3170Cb 0.01 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1nd5 h PHE 3170CO 0.00 0.92 -0.20 0.78 -2.23 0.00 0.00 178.31 177.58 1nd5 h GLY 3171N 2.19 -0.58 -0.15 2.40 0.00 -1.46 0.73 103.07 106.19 1nd5 h GLY 3171Ca -0.03 0.22 0.25 0.00 0.00 0.00 0.00 47.33 47.77 1nd5 h GLY 3171CO 0.12 -0.21 0.63 -2.22 0.00 0.00 0.00 176.54 174.86 1nd5 h ILE 3172N -0.95 0.53 0.05 2.60 1.08 -1.65 1.45 117.51 120.62 1nd5 h ILE 3172Ca -0.06 -0.18 -0.08 0.00 -0.39 0.00 0.00 64.86 64.16 1nd5 h ILE 3172Cb 0.56 -0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1nd5 h ILE 3172CO 0.09 0.09 -0.32 -0.25 -0.69 0.00 0.00 178.15 177.07 1nd5 h TRP 3173N 0.52 0.23 -0.05 1.37 7.01 -1.51 0.57 115.95 124.09 1nd5 h TRP 3173Ca 0.63 -0.16 -0.25 0.00 2.11 0.00 0.00 58.89 61.21 1nd5 h TRP 3173Cb 1.33 -0.01 0.02 0.00 -2.10 0.00 0.00 29.16 28.40 1nd5 h TRP 3173CO -0.00 1.10 -0.96 0.66 -2.79 0.00 0.00 178.44 176.44 1nd5 h SER 3174N -0.70 0.90 0.18 2.65 4.64 0.13 -2.16 113.55 119.19 1nd5 h SER 3174Ca -0.05 -0.68 -0.15 0.00 -0.47 0.00 0.00 61.79 60.43 1nd5 h SER 3174Cb 1.23 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 1nd5 h SER 3174CO 0.06 1.48 -1.97 0.29 -0.87 0.00 0.00 176.83 175.82 1nd5 n LYS 3175N -3.87 0.66 0.00 4.77 5.02 0.49 -4.49 118.16 120.74 1nd5 n LYS 3175Ca -0.10 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1nd5 n LYS 3175Cb 0.84 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1nd5 n LYS 3175CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nd5 n VAL 3176N -2.55 0.00 -0.06 -0.18 0.31 -0.41 -2.27 118.33 113.17 1nd5 n VAL 3176Ca -0.14 0.14 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1nd5 n VAL 3176Cb 0.81 -1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 32.65 1nd5 n VAL 3176CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1nd5 h TYR 3177N 0.00 -1.32 -0.21 3.52 3.20 -0.05 -2.59 116.97 119.53 1nd5 h TYR 3177Ca 0.00 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.98 1nd5 h TYR 3177Cb 0.00 0.61 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1nd5 h TYR 3177CO 0.00 -0.48 -0.15 0.22 -1.64 0.00 0.00 178.16 176.11 1nd5 h ASP 3178N -0.44 -0.49 -0.06 -2.11 3.58 -1.62 0.68 116.42 115.96 1nd5 h ASP 3178Ca 0.09 0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.68 1nd5 h ASP 3178Cb 0.62 0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.87 1nd5 h ASP 3178CO -0.48 -0.19 -0.29 -0.65 -2.88 0.00 0.00 179.24 174.74 1nd5 h PRO 3179N -0.15 -0.39 -0.28 0.28 0.11 -1.76 0.03 132.00 129.83 1nd5 h PRO 3179Ca 0.12 0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.32 1nd5 h PRO 3179Cb 0.33 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.47 1nd5 h PRO 3179CO -0.30 -0.26 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.00 1nd5 h LEU 3180N -0.40 -0.52 0.29 2.35 3.38 -1.07 -1.33 115.31 118.00 1nd5 h LEU 3180Ca 0.08 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1nd5 h LEU 3180Cb 0.52 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1nd5 h LEU 3180CO -0.29 -0.19 -0.30 0.22 0.09 0.00 0.00 178.44 177.97 1nd5 h TYR 3181N -0.12 -0.81 -0.45 1.13 3.20 -0.40 0.48 116.97 120.00 1nd5 h TYR 3181Ca 0.15 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.11 1nd5 h TYR 3181Cb 0.35 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 1nd5 h TYR 3181CO -0.34 -0.43 0.04 0.00 -1.64 0.00 0.00 178.16 175.78 1nd5 h GLU 3183N 0.15 0.05 -0.78 0.00 4.11 -1.13 -2.11 114.58 114.87 1nd5 h GLU 3183Ca 0.22 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.59 1nd5 h GLU 3183Cb 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1nd5 h GLU 3183CO -0.34 0.53 0.33 1.03 0.07 0.00 0.00 179.01 180.64 1nd5 h SER 3184N 0.04 1.05 -0.18 3.06 0.87 0.21 -0.52 113.55 118.07 1nd5 h SER 3184Ca -0.00 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 1nd5 h SER 3184Cb 0.89 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1nd5 h SER 3184CO 0.07 0.92 -0.05 0.58 -0.53 0.00 0.00 176.83 177.81 1nd5 h VAL 3185N 1.12 1.21 -0.82 2.23 2.07 0.42 -2.79 116.25 119.70 1nd5 h VAL 3185Ca 0.26 -0.87 -0.44 0.00 0.82 0.00 0.00 66.70 66.47 1nd5 h VAL 3185Cb 0.18 1.03 -0.25 0.00 -1.52 0.00 0.00 31.29 30.73 1nd5 h VAL 3185CO -0.03 0.29 0.56 1.41 0.02 0.00 0.00 177.57 179.83 1nd5 n HIS 3186N -4.25 2.53 -1.67 1.57 8.25 -0.93 -4.89 115.22 115.83 1nd5 n HIS 3186Ca 0.01 -1.76 -0.16 0.00 -0.26 0.00 0.00 57.72 55.55 1nd5 n HIS 3186Cb 0.27 -0.89 -0.06 0.00 1.12 0.00 0.00 29.99 30.44 1nd5 n HIS 3186CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1nd5 n ASN 3187N -0.79 -4.39 -4.63 0.41 3.02 -1.05 -4.97 115.26 102.85 1nd5 n ASN 3187Ca 0.49 0.34 -0.28 0.00 -0.03 0.00 0.00 54.58 55.10 1nd5 n ASN 3187Cb 1.34 -3.92 0.19 0.00 -0.61 0.00 0.00 39.78 36.78 1nd5 n ASN 3187CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1nd5 s PHE 3188N -2.47 1.94 -0.33 3.10 0.40 -0.25 -4.99 117.98 115.39 1nd5 s PHE 3188Ca 0.00 0.98 -0.10 0.00 -0.60 0.00 0.00 56.93 57.21 1nd5 s PHE 3188Cb 0.00 -3.25 -0.00 0.00 0.51 0.00 0.00 43.02 40.28 1nd5 s PHE 3188CO 0.00 -3.12 0.17 0.99 0.70 0.00 0.00 175.22 173.96 1nd5 s THR 3189N -2.89 4.65 0.75 0.64 2.01 -1.26 -4.71 115.64 114.83 1nd5 s THR 3189Ca 0.66 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 1nd5 s THR 3189Cb -0.19 -3.42 0.04 0.00 0.01 0.00 0.00 72.50 68.94 1nd5 s THR 3189CO 0.59 0.00 1.09 -0.76 -0.69 0.00 0.00 174.62 174.84 1nd5 s LEU 3190N 1.61 2.79 0.42 4.42 1.02 -1.26 -5.01 118.68 122.66 1nd5 s LEU 3190Ca 0.04 1.36 -0.24 0.00 0.02 0.00 0.00 54.13 55.31 1nd5 s LEU 3190Cb -0.17 -4.08 -0.08 0.00 0.02 0.00 0.00 46.19 41.87 1nd5 s LEU 3190CO 0.07 -1.72 1.16 -2.16 0.02 0.00 0.00 176.35 173.72 1nd5 s PRO 3191N -5.16 3.98 0.19 1.29 0.04 -1.26 -4.87 135.00 129.22 1nd5 s PRO 3191Ca 0.60 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.45 1nd5 s PRO 3191Cb -0.14 -2.59 0.48 0.00 0.04 0.00 0.00 34.50 32.29 1nd5 s PRO 3191CO 0.54 -0.37 0.98 -1.13 0.04 0.00 0.00 177.00 177.05 1nd5 n SER 3192N -0.09 -0.07 0.24 6.66 3.41 -1.26 0.19 113.62 122.70 1nd5 n SER 3192Ca 0.05 1.06 0.16 0.00 -0.26 0.00 0.00 58.87 59.88 1nd5 n SER 3192Cb 0.47 -0.39 0.69 0.00 -0.26 0.00 0.00 64.21 64.72 1nd5 n SER 3192CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1nd5 h TRP 3193N 0.00 0.00 0.00 7.33 5.08 -2.04 -3.33 115.95 122.99 1nd5 h TRP 3193Ca 0.38 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 60.12 1nd5 h TRP 3193Cb 0.79 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.95 1nd5 h TRP 3193CO -0.32 0.00 1.84 0.00 -1.28 0.00 0.00 178.44 178.69 1nd5 n ALA 3194N -1.98 3.46 -1.57 0.11 0.00 0.51 -4.70 120.51 116.33 1nd5 n ALA 3194Ca 0.00 -1.26 -0.33 0.00 0.00 0.00 0.00 53.44 51.85 1nd5 n ALA 3194Cb 0.24 -2.76 0.03 0.00 0.00 0.00 0.00 19.45 16.96 1nd5 n ALA 3194CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nd5 s THR 3195N 3.70 3.41 0.55 0.00 -4.23 -1.25 -4.77 115.64 113.05 1nd5 s THR 3195Ca 0.27 0.67 0.25 0.00 -1.18 0.00 0.00 61.69 61.70 1nd5 s THR 3195Cb 0.08 -3.20 0.37 0.00 1.34 0.00 0.00 72.50 71.09 1nd5 s THR 3195CO -0.02 -0.39 2.04 -0.08 -0.54 0.00 0.00 174.62 175.63 1nd5 h GLU 3196N 0.22 0.00 0.13 3.99 4.22 -1.94 0.14 114.58 121.33 1nd5 h GLU 3196Ca -0.47 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 58.79 1nd5 h GLU 3196Cb 1.24 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.51 1nd5 h GLU 3196CO 0.55 0.00 -0.83 0.22 -2.18 0.00 0.00 179.01 176.77 1nd5 h ASP 3197N 0.00 0.43 0.48 1.04 3.58 -1.94 -3.25 116.42 116.76 1nd5 h ASP 3197Ca 0.16 -0.94 -0.01 0.00 0.42 0.00 0.00 57.03 56.66 1nd5 h ASP 3197Cb 0.72 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1nd5 h ASP 3197CO -0.00 1.39 -0.49 0.74 -2.88 0.00 0.00 179.24 178.00 1nd5 h THR 3198N -0.41 0.00 -0.98 2.25 2.02 -1.11 -1.65 112.91 113.03 1nd5 h THR 3198Ca -0.15 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.26 1nd5 h THR 3198Cb 1.62 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.84 1nd5 h THR 3198CO 0.13 0.00 -0.11 0.24 0.37 0.00 0.00 175.52 176.15 1nd5 h MET 3199N -0.97 0.00 -0.33 6.66 2.86 -1.14 0.36 114.93 122.38 1nd5 h MET 3199Ca -0.06 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1nd5 h MET 3199Cb 0.84 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1nd5 h MET 3199CO -0.06 0.00 0.10 1.15 1.06 0.00 0.00 176.91 179.16 1nd5 h THR 3200N 0.00 0.89 -0.20 2.22 2.02 -1.38 0.35 112.91 116.80 1nd5 h THR 3200Ca 0.53 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.59 1nd5 h THR 3200Cb 0.97 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1nd5 h THR 3200CO -0.97 0.04 -0.07 0.11 0.37 0.00 0.00 175.52 175.01 1nd5 h LYS 3201N 0.23 0.31 -0.38 6.66 1.57 0.43 -1.12 116.57 124.27 1nd5 h LYS 3201Ca 0.15 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1nd5 h LYS 3201Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1nd5 h LYS 3201CO -0.17 0.39 0.04 -0.07 -0.57 0.00 0.00 179.45 179.08 1nd5 h LEU 3202N 0.30 0.62 -0.37 2.94 3.38 0.12 -2.17 115.31 120.13 1nd5 h LEU 3202Ca 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1nd5 h LEU 3202Cb 0.32 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1nd5 h LEU 3202CO 0.01 0.75 0.14 -0.09 0.09 0.00 0.00 178.44 179.34 1nd5 h ARG 3203N 0.48 0.56 -0.92 1.13 2.43 0.24 -0.98 114.38 117.31 1nd5 h ARG 3203Ca 0.11 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1nd5 h ARG 3203Cb 0.40 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 1nd5 h ARG 3203CO 0.01 0.54 0.59 0.93 -1.51 0.00 0.00 179.97 180.53 1nd5 h GLU 3204N 0.45 1.06 -0.41 0.20 5.08 -1.15 0.24 114.58 120.05 1nd5 h GLU 3204Ca 0.12 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1nd5 h GLU 3204Cb 0.20 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1nd5 h GLU 3204CO -0.01 0.70 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.35 1nd5 h LEU 3205N 1.09 0.96 -1.16 1.33 3.38 -1.10 0.67 115.31 120.48 1nd5 h LEU 3205Ca 0.39 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1nd5 h LEU 3205Cb 0.13 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1nd5 h LEU 3205CO -0.16 1.18 0.45 0.28 0.09 0.00 0.00 178.44 180.29 1nd5 h SER 3206N 0.74 0.91 0.02 -0.43 0.02 -0.26 0.57 113.55 115.13 1nd5 h SER 3206Ca 0.08 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1nd5 h SER 3206Cb 0.86 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1nd5 h SER 3206CO 0.08 0.70 -0.01 -0.33 -1.14 0.00 0.00 176.83 176.13 1nd5 h GLU 3207N 1.05 -0.03 -0.81 3.45 5.08 -0.15 0.61 114.58 123.78 1nd5 h GLU 3207Ca 0.27 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.79 1nd5 h GLU 3207Cb -0.04 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.12 1nd5 h GLU 3207CO -0.05 0.46 0.37 1.25 -1.00 0.00 0.00 179.01 180.04 1nd5 h LEU 3208N -0.53 0.39 0.10 1.33 5.85 0.89 0.29 115.31 123.62 1nd5 h LEU 3208Ca -0.00 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1nd5 h LEU 3208Cb 0.50 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1nd5 h LEU 3208CO 0.01 0.14 -0.05 -1.28 -0.34 0.00 0.00 178.44 176.92 1nd5 h SER 3209N 0.51 -0.11 -0.94 1.25 0.87 0.32 0.41 113.55 115.86 1nd5 h SER 3209Ca 0.45 0.00 0.24 0.00 -1.23 0.00 0.00 61.79 61.25 1nd5 h SER 3209Cb 0.69 0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.55 1nd5 h SER 3209CO -0.40 -0.08 0.47 0.25 -0.53 0.00 0.00 176.83 176.54 1nd5 h LEU 3210N -0.13 0.45 -0.01 2.23 5.85 -0.54 0.39 115.31 123.54 1nd5 h LEU 3210Ca -0.01 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1nd5 h LEU 3210Cb 0.10 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1nd5 h LEU 3210CO 0.02 0.01 0.00 0.25 -0.34 0.00 0.00 178.44 178.39 1nd5 h LEU 3211N 0.44 0.02 -1.68 2.25 5.85 -0.37 -2.49 115.31 119.34 1nd5 h LEU 3211Ca 0.60 -0.23 0.24 0.00 0.84 0.00 0.00 57.88 59.33 1nd5 h LEU 3211Cb 1.17 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 1nd5 h LEU 3211CO -0.52 0.25 0.64 0.77 -0.34 0.00 0.00 178.44 179.24 1nd5 h SER 3212N -0.21 0.25 -0.54 1.25 4.64 0.39 -0.96 113.55 118.37 1nd5 h SER 3212Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1nd5 h SER 3212Cb 0.24 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1nd5 h SER 3212CO 0.00 0.08 0.35 0.25 -0.87 0.00 0.00 176.83 176.65 1nd5 h LEU 3213N 0.24 0.62 0.00 5.97 5.85 -0.45 -3.32 115.31 124.22 1nd5 h LEU 3213Ca 0.49 -0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.92 1nd5 h LEU 3213Cb 1.49 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.32 1nd5 h LEU 3213CO -0.13 0.46 -2.21 -1.22 -0.34 0.00 0.00 178.44 175.00 1nd5 n TYR 3214N -4.71 0.10 0.00 1.25 4.02 -0.56 -4.97 117.16 112.30 1nd5 n TYR 3214Ca 0.03 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1nd5 n TYR 3214Cb 0.02 -0.89 0.00 0.00 -0.02 0.00 0.00 39.34 38.45 1nd5 n TYR 3214CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nd5 n GLY 3215N 1.60 3.79 5.00 2.72 0.00 -0.48 -4.33 105.19 113.49 1nd5 n GLY 3215Ca -0.24 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1nd5 n GLY 3215CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nd5 n ILE 3216N 0.00 0.00 -4.18 -0.61 2.08 -1.26 -4.62 119.36 110.77 1nd5 n ILE 3216Ca 0.00 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 62.98 1nd5 n ILE 3216Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 39.64 38.73 1nd5 n ILE 3216CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1nd5 s HIS 3217N 0.00 2.70 -1.21 1.39 2.46 -1.26 -4.77 115.29 114.59 1nd5 s HIS 3217Ca 0.00 -1.56 -0.11 0.00 0.47 0.00 0.00 55.06 53.86 1nd5 s HIS 3217Cb 0.00 -1.87 -0.01 0.00 -0.13 0.00 0.00 32.58 30.57 1nd5 s HIS 3217CO 0.00 -0.77 0.73 1.63 -2.47 0.00 0.00 174.74 173.86 1nd5 n LYS 3218N 4.57 -2.63 0.29 2.88 5.02 -1.26 -4.85 118.16 122.17 1nd5 n LYS 3218Ca -0.20 0.54 -0.15 0.00 -2.02 0.00 0.00 58.31 56.47 1nd5 n LYS 3218Cb 0.50 -4.66 -0.08 0.00 -0.02 0.00 0.00 35.03 30.78 1nd5 n LYS 3218CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1nd5 h GLN 3219N -1.79 -0.85 -0.91 1.97 4.15 -1.81 -2.89 115.11 112.99 1nd5 h GLN 3219Ca -0.64 0.06 0.32 0.00 0.77 0.00 0.00 58.65 59.16 1nd5 h GLN 3219Cb 1.36 0.19 -0.17 0.00 0.21 0.00 0.00 27.48 29.07 1nd5 h GLN 3219CO 0.52 -0.57 0.26 1.17 -1.93 0.00 0.00 178.83 178.29 1nd5 n LYS 3220N -4.85 -0.06 -0.06 1.69 3.00 -1.26 -0.37 118.16 116.25 1nd5 n LYS 3220Ca -0.11 1.30 -0.13 0.00 -0.00 0.00 0.00 58.31 59.38 1nd5 n LYS 3220Cb 0.38 -2.21 -0.06 0.00 0.00 0.00 0.00 35.03 33.14 1nd5 n LYS 3220CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1nd5 h GLU 3221N 0.00 0.42 0.57 1.64 4.81 -1.90 -2.34 114.58 117.78 1nd5 h GLU 3221Ca 0.67 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.66 1nd5 h GLU 3221Cb 1.61 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.98 1nd5 h GLU 3221CO -0.77 0.77 -0.42 0.87 -0.73 0.00 0.00 179.01 178.73 1nd5 h LYS 3222N 0.09 -0.92 -0.93 1.92 1.57 -0.50 -2.69 116.57 115.10 1nd5 h LYS 3222Ca 0.03 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.02 1nd5 h LYS 3222Cb 0.67 0.21 -0.15 0.00 0.08 0.00 0.00 32.23 33.04 1nd5 h LYS 3222CO 0.04 -0.61 -0.39 0.77 -0.57 0.00 0.00 179.45 178.69 1nd5 h SER 3223N -0.95 -1.42 -1.02 0.86 0.02 -1.06 1.00 113.55 110.99 1nd5 h SER 3223Ca -0.07 0.30 0.28 0.00 -0.84 0.00 0.00 61.79 61.46 1nd5 h SER 3223Cb 0.80 0.74 -0.06 0.00 0.14 0.00 0.00 62.40 64.02 1nd5 h SER 3223CO 0.02 -0.29 0.70 0.03 -1.14 0.00 0.00 176.83 176.16 1nd5 h ARG 3224N -0.03 0.15 -0.00 3.45 3.08 -1.09 0.44 114.38 120.37 1nd5 h ARG 3224Ca 0.32 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1nd5 h ARG 3224Cb 0.59 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1nd5 h ARG 3224CO -0.94 0.10 -0.49 1.28 -1.07 0.00 0.00 179.97 178.85 1nd5 n LEU 3225N -4.37 0.83 0.00 3.04 4.77 0.33 -3.63 117.00 117.98 1nd5 n LEU 3225Ca 0.22 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1nd5 n LEU 3225Cb 0.99 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1nd5 n LEU 3225CO 0.35 0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.59 1nd5 n GLN 3226N -1.14 0.00 -0.30 3.23 1.13 0.15 -4.82 117.38 115.62 1nd5 n GLN 3226Ca 0.08 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.28 1nd5 n GLN 3226Cb 0.35 0.00 0.32 0.00 0.11 0.00 0.00 30.24 31.01 1nd5 n GLN 3226CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1nd5 h GLY 3227N 0.00 1.52 -0.89 1.08 0.00 -1.60 -1.35 103.07 101.83 1nd5 h GLY 3227Ca 0.00 -0.12 0.26 0.00 0.00 0.00 0.00 47.33 47.47 1nd5 h GLY 3227CO 0.00 -0.33 0.06 0.61 0.00 0.00 0.00 176.54 176.88 1nd5 n GLY 3228N -1.35 -1.16 0.18 4.60 0.00 -0.73 0.67 105.19 107.40 1nd5 n GLY 3228Ca 0.23 0.86 -0.04 0.00 0.00 0.00 0.00 46.02 47.07 1nd5 n GLY 3228CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nd5 h VAL 3229N 0.00 0.62 -0.30 1.61 2.07 -1.47 0.48 116.25 119.26 1nd5 h VAL 3229Ca 0.56 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 68.00 1nd5 h VAL 3229Cb 1.20 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1nd5 h VAL 3229CO -0.83 0.01 -0.06 0.25 0.02 0.00 0.00 177.57 176.96 1nd5 h LEU 3230N 0.05 0.57 0.11 2.57 5.85 0.10 -0.90 115.31 123.66 1nd5 h LEU 3230Ca 0.21 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1nd5 h LEU 3230Cb 0.31 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1nd5 h LEU 3230CO -0.40 0.79 -0.46 0.58 -0.34 0.00 0.00 178.44 178.62 1nd5 h VAL 3231N 0.34 0.10 -0.48 1.05 2.07 -0.13 0.23 116.25 119.43 1nd5 h VAL 3231Ca 0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 1nd5 h VAL 3231Cb 0.54 0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 1nd5 h VAL 3231CO 0.03 0.00 -0.04 -1.13 0.02 0.00 0.00 177.57 176.45 1nd5 h ASN 3232N -0.68 -0.29 0.06 0.57 -0.73 0.01 0.47 115.58 114.99 1nd5 h ASN 3232Ca 0.02 0.13 0.02 0.00 1.87 0.00 0.00 56.30 58.33 1nd5 h ASN 3232Cb 0.71 0.24 -0.05 0.00 0.27 0.00 0.00 38.32 39.48 1nd5 h ASN 3232CO -0.27 -0.10 -0.52 -0.08 -0.37 0.00 0.00 177.43 176.10 1nd5 h GLU 3233N 0.07 -0.68 -0.88 6.67 4.57 -0.51 -0.30 114.58 123.53 1nd5 h GLU 3233Ca 0.24 0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.51 1nd5 h GLU 3233Cb 0.37 0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 1nd5 h GLU 3233CO -0.44 -0.45 0.56 0.82 -1.18 0.00 0.00 179.01 178.32 1nd5 h ILE 3234N -0.70 1.12 0.52 2.32 2.04 0.28 -1.04 117.51 122.05 1nd5 h ILE 3234Ca 0.01 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1nd5 h ILE 3234Cb 0.73 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1nd5 h ILE 3234CO -0.32 0.20 -0.30 0.25 0.00 0.00 0.00 178.15 177.98 1nd5 h LEU 3235N 1.08 -0.73 -0.41 1.44 5.85 0.35 -2.06 115.31 120.84 1nd5 h LEU 3235Ca 0.36 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.20 1nd5 h LEU 3235Cb 0.04 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 1nd5 h LEU 3235CO -0.13 -0.48 -0.13 0.78 -0.34 0.00 0.00 178.44 178.15 1nd5 h ASN 3236N -0.76 -0.46 -0.89 1.25 2.35 -0.77 -0.17 115.58 116.12 1nd5 h ASN 3236Ca -0.06 0.13 0.20 0.00 -0.55 0.00 0.00 56.30 56.02 1nd5 h ASN 3236Cb 0.61 0.28 -0.12 0.00 0.05 0.00 0.00 38.32 39.15 1nd5 h ASN 3236CO 0.08 -0.16 0.42 0.45 -1.65 0.00 0.00 177.43 176.56 1nd5 h HIS 3237N -0.04 0.70 0.17 1.19 3.86 -0.95 -0.45 115.15 119.64 1nd5 h HIS 3237Ca 0.20 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1nd5 h HIS 3237Cb 0.34 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1nd5 h HIS 3237CO -0.38 0.02 -0.08 0.52 0.86 0.00 0.00 177.93 178.86 1nd5 h MET 3238N 0.47 -0.22 -0.66 2.45 2.86 -0.32 -2.83 114.93 116.68 1nd5 h MET 3238Ca 0.54 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.32 1nd5 h MET 3238Cb 0.97 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.59 1nd5 h MET 3238CO -0.48 -0.04 0.20 0.87 1.06 0.00 0.00 176.91 178.51 1nd5 h LYS 3239N -0.35 0.33 -1.00 1.72 1.57 -0.62 -0.86 116.57 117.36 1nd5 h LYS 3239Ca -0.02 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1nd5 h LYS 3239Cb 0.27 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 1nd5 h LYS 3239CO 0.04 0.22 0.65 0.00 -0.57 0.00 0.00 179.45 179.78 1nd5 h ARG 3240N 0.34 1.14 0.00 3.15 3.08 -0.97 0.16 114.38 121.29 1nd5 h ARG 3240Ca 0.35 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1nd5 h ARG 3240Cb 0.53 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1nd5 h ARG 3240CO -0.40 0.76 0.00 0.00 -1.07 0.00 0.00 179.97 179.26 1nd5 h ALA 3241N 1.46 1.00 -0.03 0.04 0.00 -0.96 -1.59 119.26 119.18 1nd5 h ALA 3241Ca 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.15 1nd5 h ALA 3241Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1nd5 h ALA 3241CO -0.17 0.00 -0.80 0.00 0.00 0.00 0.00 179.25 178.28 1nd5 h THR 3242N 0.00 1.42 -0.14 0.00 1.03 0.36 -3.30 112.91 112.28 1nd5 h THR 3242Ca 0.00 -2.33 -0.08 0.00 -0.01 0.00 0.00 66.41 63.99 1nd5 h THR 3242Cb 0.54 2.27 -0.05 0.00 -1.07 0.00 0.00 68.15 69.85 1nd5 h THR 3242CO 0.00 0.69 -0.37 0.00 -0.01 0.00 0.00 175.52 175.83 1nd5 n GLN 3243N -3.77 1.73 -3.24 0.00 10.64 -0.88 -4.94 117.38 116.92 1nd5 n GLN 3243Ca -0.04 -3.30 -0.03 0.00 -1.83 0.00 0.00 57.00 51.80 1nd5 n GLN 3243Cb 0.75 -1.71 -0.04 0.00 -0.86 0.00 0.00 30.24 28.39 1nd5 n GLN 3243CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1nd5 s ILE 3244N -3.29 -0.79 1.10 -0.39 1.01 -0.65 -5.03 121.20 113.16 1nd5 s ILE 3244Ca 0.41 -0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.78 1nd5 s ILE 3244Cb 0.38 -0.96 0.24 0.00 0.01 0.00 0.00 42.46 42.14 1nd5 s ILE 3244CO -0.05 -0.12 1.10 -2.84 0.00 0.00 0.00 174.94 173.03 1nd5 s PRO 3245N 2.68 -0.42 0.00 2.79 0.02 -1.26 -2.31 135.00 136.50 1nd5 s PRO 3245Ca 0.13 0.21 0.00 0.00 0.02 0.00 0.00 61.00 61.36 1nd5 s PRO 3245Cb -0.13 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.73 1nd5 s PRO 3245CO -0.24 -3.23 0.00 -1.13 -0.33 0.00 0.00 177.00 172.06 1nd5 n SER 3246N -4.47 -0.44 -4.78 2.53 3.41 -1.26 -4.92 113.62 103.69 1nd5 n SER 3246Ca 0.09 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.37 1nd5 n SER 3246Cb 0.58 -2.40 0.04 0.00 -0.26 0.00 0.00 64.21 62.17 1nd5 n SER 3246CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1nd5 s TYR 3247N -1.20 2.70 0.31 7.33 6.14 -0.98 -4.91 117.35 126.75 1nd5 s TYR 3247Ca 0.00 1.54 -0.26 0.00 0.64 0.00 0.00 57.07 58.99 1nd5 s TYR 3247Cb 0.00 -3.14 -0.14 0.00 0.42 0.00 0.00 41.96 39.10 1nd5 s TYR 3247CO 0.00 -1.57 0.72 1.17 0.64 0.00 0.00 175.55 176.51 1nd5 n LYS 3248N -2.32 0.74 -0.08 4.97 3.00 -1.26 -4.92 118.16 118.29 1nd5 n LYS 3248Ca 0.10 0.26 -0.21 0.00 -0.00 0.00 0.00 58.31 58.46 1nd5 n LYS 3248Cb 0.52 -1.52 -0.12 0.00 0.00 0.00 0.00 35.03 33.91 1nd5 n LYS 3248CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1nd5 n LYS 3249N 0.74 0.67 -4.44 1.64 5.02 0.13 -4.85 118.16 117.07 1nd5 n LYS 3249Ca 0.12 0.25 -0.23 0.00 -2.02 0.00 0.00 58.31 56.44 1nd5 n LYS 3249Cb 0.33 -1.61 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 1nd5 n LYS 3249CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nd5 s LEU 3250N -7.00 2.21 -0.18 -0.35 2.96 -0.49 -1.25 118.68 114.57 1nd5 s LEU 3250Ca -0.31 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.01 1nd5 s LEU 3250Cb 0.09 -0.81 0.09 0.00 0.50 0.00 0.00 46.19 46.06 1nd5 s LEU 3250CO 0.64 0.08 0.32 -0.63 -1.32 0.00 0.00 176.35 175.44 1nd5 s ILE 3251N -0.93 -0.50 -0.05 6.68 1.01 -1.15 -1.93 121.20 124.33 1nd5 s ILE 3251Ca 0.05 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.83 1nd5 s ILE 3251Cb -0.09 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 1nd5 s ILE 3251CO 0.02 -0.00 -0.09 -0.04 0.00 0.00 0.00 174.94 174.83 1nd5 s MET 3252N 2.48 2.63 -0.44 2.79 -1.94 -0.82 -0.96 119.30 123.04 1nd5 s MET 3252Ca 0.04 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.44 1nd5 s MET 3252Cb -0.13 -2.51 0.12 0.00 2.01 0.00 0.00 34.83 34.31 1nd5 s MET 3252CO -0.12 0.64 0.17 0.71 -0.01 0.00 0.00 175.02 176.42 1nd5 s TYR 3253N -0.82 3.45 -0.52 -0.03 1.51 0.21 -0.44 117.35 120.71 1nd5 s TYR 3253Ca 0.13 -3.08 -0.27 0.00 -1.01 0.00 0.00 57.07 52.84 1nd5 s TYR 3253Cb -0.11 -2.88 -0.02 0.00 -0.11 0.00 0.00 41.96 38.83 1nd5 s TYR 3253CO 0.02 -0.84 1.89 0.45 -1.11 0.00 0.00 175.55 175.97 1nd5 s SER 3254N 0.28 5.37 0.00 2.29 0.15 0.05 -2.87 113.70 118.98 1nd5 s SER 3254Ca 0.14 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1nd5 s SER 3254Cb -0.23 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1nd5 s SER 3254CO -0.04 -2.23 0.00 0.00 1.20 0.00 0.00 173.24 172.17 1nd5 n ALA 3255N 12.33 0.00 -2.51 5.45 0.00 -0.10 -2.32 120.51 133.36 1nd5 n ALA 3255Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.42 1nd5 n ALA 3255Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 1nd5 n ALA 3255CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nd5 s HIS 3256N 1.99 2.21 0.54 0.00 3.76 -1.26 -2.63 115.29 119.90 1nd5 s HIS 3256Ca 0.00 -0.73 0.22 0.00 -0.15 0.00 0.00 55.06 54.40 1nd5 s HIS 3256Cb 0.00 -1.42 1.40 0.00 1.11 0.00 0.00 32.58 33.68 1nd5 s HIS 3256CO 0.00 0.31 2.10 0.38 -0.85 0.00 0.00 174.74 176.68 1nd5 h ASP 3257N 2.03 0.00 0.46 1.40 -0.00 -1.92 0.32 116.42 118.71 1nd5 h ASP 3257Ca -0.42 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 56.50 1nd5 h ASP 3257Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.56 1nd5 h ASP 3257CO 0.73 0.00 -0.50 0.71 -0.00 0.00 0.00 179.24 180.17 1nd5 h THR 3258N 0.00 1.36 -0.25 1.15 1.35 -1.96 -1.08 112.91 113.48 1nd5 h THR 3258Ca 0.09 -1.74 -0.17 0.00 -0.55 0.00 0.00 66.41 64.05 1nd5 h THR 3258Cb 0.38 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1nd5 h THR 3258CO -0.00 0.50 -0.49 0.74 -0.25 0.00 0.00 175.52 176.02 1nd5 h THR 3259N 0.04 1.29 0.02 6.82 2.02 -0.62 0.13 112.91 122.62 1nd5 h THR 3259Ca -0.00 -1.69 -0.00 0.00 0.77 0.00 0.00 66.41 65.49 1nd5 h THR 3259Cb 0.91 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1nd5 h THR 3259CO 0.07 0.54 -0.01 0.58 0.37 0.00 0.00 175.52 177.07 1nd5 h VAL 3260N 0.52 1.43 -0.93 3.16 2.07 -1.32 -1.12 116.25 120.06 1nd5 h VAL 3260Ca 0.01 -1.40 0.06 0.00 0.82 0.00 0.00 66.70 66.19 1nd5 h VAL 3260Cb 1.10 2.36 -0.06 0.00 -1.52 0.00 0.00 31.29 33.17 1nd5 h VAL 3260CO 0.11 0.36 0.61 0.77 0.02 0.00 0.00 177.57 179.43 1nd5 h SER 3261N -0.63 0.96 -0.38 0.57 4.64 -1.25 0.39 113.55 117.84 1nd5 h SER 3261Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1nd5 h SER 3261Cb 0.60 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1nd5 h SER 3261CO 0.00 0.63 -0.34 1.23 -0.87 0.00 0.00 176.83 177.48 1nd5 h GLY 3262N 1.10 1.01 1.61 -0.77 0.00 -0.71 -0.65 103.07 104.66 1nd5 h GLY 3262Ca 0.39 -0.99 -0.12 0.00 0.00 0.00 0.00 47.33 46.61 1nd5 h GLY 3262CO -0.14 0.89 -0.39 -2.00 0.00 0.00 0.00 176.54 174.91 1nd5 h LEU 3263N 0.77 0.46 -0.10 3.11 5.85 -0.64 -2.81 115.31 121.95 1nd5 h LEU 3263Ca 0.07 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 1nd5 h LEU 3263Cb 0.92 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1nd5 h LEU 3263CO 0.09 0.80 -0.73 1.56 -0.34 0.00 0.00 178.44 179.82 1nd5 h GLN 3264N 0.36 0.00 0.00 1.25 4.20 -0.77 -2.93 115.11 117.22 1nd5 h GLN 3264Ca 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1nd5 h GLN 3264Cb 0.84 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1nd5 h GLN 3264CO 0.07 0.73 -0.44 0.52 -0.67 0.00 0.00 178.83 179.04 1nd5 h MET 3265N 0.00 0.00 0.00 1.46 2.86 -1.06 0.90 114.93 119.09 1nd5 h MET 3265Ca -0.01 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1nd5 h MET 3265Cb 1.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 1nd5 h MET 3265CO 0.10 0.44 -0.59 0.00 1.06 0.00 0.00 176.91 177.92 1nd5 h ALA 3266N 1.56 0.64 0.00 6.32 0.00 -1.48 -3.19 119.26 123.11 1nd5 h ALA 3266Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1nd5 h ALA 3266Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nd5 h ALA 3266CO 0.06 0.69 -0.86 1.28 0.00 0.00 0.00 179.25 180.42 1nd5 n LEU 3267N -3.22 0.68 -2.41 0.00 4.77 -1.11 -4.92 117.00 110.80 1nd5 n LEU 3267Ca 0.01 -0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 1nd5 n LEU 3267Cb 0.76 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.78 1nd5 n LEU 3267CO 0.41 0.13 0.09 0.47 -1.33 0.00 0.00 177.39 177.16 1nd5 n ASP 3268N -1.68 -2.83 -0.38 -1.43 8.00 0.14 -4.55 116.55 113.82 1nd5 n ASP 3268Ca 0.04 -0.35 0.01 0.00 0.71 0.00 0.00 54.79 55.19 1nd5 n ASP 3268Cb 0.37 -3.23 0.01 0.00 -0.02 0.00 0.00 41.12 38.26 1nd5 n ASP 3268CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1nd5 n VAL 3269N -3.21 0.14 -2.98 2.53 0.24 -0.21 -4.43 118.33 110.42 1nd5 n VAL 3269Ca -0.12 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.34 61.61 1nd5 n VAL 3269Cb 0.58 0.53 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 1nd5 n VAL 3269CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1nd5 s TYR 3270N -0.21 3.54 -0.90 6.34 5.04 -1.15 -4.96 117.35 125.04 1nd5 s TYR 3270Ca 0.02 1.28 0.27 0.00 -2.44 0.00 0.00 57.07 56.21 1nd5 s TYR 3270Cb 0.02 -2.89 0.98 0.00 0.35 0.00 0.00 41.96 40.43 1nd5 s TYR 3270CO 0.00 -0.01 1.79 0.27 -1.34 0.00 0.00 175.55 176.26 1nd5 n ASN 3271N 4.19 0.33 0.00 4.32 6.94 -1.26 -4.95 115.26 124.83 1nd5 n ASN 3271Ca 0.01 0.41 0.00 0.00 -0.02 0.00 0.00 54.58 54.98 1nd5 n ASN 3271Cb 0.51 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1nd5 n ASN 3271CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nd5 n GLY 3272N 1.44 2.21 3.76 4.83 0.00 -1.26 -5.05 105.19 111.11 1nd5 n GLY 3272Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1nd5 n GLY 3272CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nd5 s LEU 3273N 0.00 4.59 0.06 0.99 1.43 -1.26 -4.86 118.68 119.62 1nd5 s LEU 3273Ca 0.00 1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 54.74 1nd5 s LEU 3273Cb 0.00 -3.68 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 1nd5 s LEU 3273CO 0.00 0.11 1.84 -0.76 0.23 0.00 0.00 176.35 177.76 1nd5 s LEU 3274N -1.35 4.40 -0.05 1.79 1.43 -1.26 -4.87 118.68 118.78 1nd5 s LEU 3274Ca 0.43 2.62 -0.34 0.00 -1.03 0.00 0.00 54.13 55.80 1nd5 s LEU 3274Cb -0.25 -3.55 -0.12 0.00 0.03 0.00 0.00 46.19 42.30 1nd5 s LEU 3274CO 0.31 -1.00 1.84 -2.65 0.23 0.00 0.00 176.35 175.08 1nd5 n PRO 3275N 6.63 2.20 -1.71 1.29 -0.02 -1.26 -4.96 135.00 137.17 1nd5 n PRO 3275Ca 0.18 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 62.14 1nd5 n PRO 3275Cb 0.40 -2.64 0.05 0.00 -0.02 0.00 0.00 33.50 31.29 1nd5 n PRO 3275CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1nd5 s PRO 3276N 3.62 2.72 0.31 0.52 0.02 -1.26 -4.85 135.00 136.07 1nd5 s PRO 3276Ca 0.91 1.42 -0.27 0.00 0.02 0.00 0.00 61.00 63.07 1nd5 s PRO 3276Cb -0.68 -1.94 -0.14 0.00 0.02 0.00 0.00 34.50 31.77 1nd5 s PRO 3276CO 0.49 -1.32 0.94 0.66 -0.33 0.00 0.00 177.00 177.44 1nd5 n TYR 3277N -2.48 1.01 -1.49 6.54 4.02 -1.26 -0.83 117.16 122.67 1nd5 n TYR 3277Ca 0.11 0.69 -0.17 0.00 -0.01 0.00 0.00 57.90 58.52 1nd5 n TYR 3277Cb 0.52 -2.21 -0.07 0.00 -0.02 0.00 0.00 39.34 37.56 1nd5 n TYR 3277CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nd5 n ALA 3278N 0.02 -0.26 -1.77 -0.72 0.00 0.09 -4.95 120.51 112.92 1nd5 n ALA 3278Ca 0.10 0.28 -0.36 0.00 0.00 0.00 0.00 53.44 53.45 1nd5 n ALA 3278Cb 0.33 -1.90 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 1nd5 n ALA 3278CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nd5 s SER 3279N -2.58 6.17 -0.04 0.00 1.04 -0.01 -4.71 113.70 113.58 1nd5 s SER 3279Ca 0.00 2.23 -0.00 0.00 0.48 0.00 0.00 55.95 58.66 1nd5 s SER 3279Cb 0.00 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.55 1nd5 s SER 3279CO 0.00 -0.91 0.00 0.00 0.98 0.00 0.00 173.24 173.31 1nd5 s HIS 3281N 1.25 3.22 -0.16 0.00 5.04 -0.61 0.03 115.29 124.05 1nd5 s HIS 3281Ca -0.07 0.25 -0.06 0.00 -1.54 0.00 0.00 55.06 53.64 1nd5 s HIS 3281Cb -0.13 -2.70 -0.04 0.00 0.04 0.00 0.00 32.58 29.75 1nd5 s HIS 3281CO -0.02 -0.37 0.05 -0.51 -2.34 0.00 0.00 174.74 171.55 1nd5 s LEU 3282N 2.16 3.77 -0.45 8.88 1.43 0.20 -2.45 118.68 132.21 1nd5 s LEU 3282Ca 0.15 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1nd5 s LEU 3282Cb -0.16 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.25 1nd5 s LEU 3282CO 0.11 0.22 0.21 -0.89 0.23 0.00 0.00 176.35 176.23 1nd5 s THR 3283N 0.10 2.02 0.02 5.49 2.01 -0.63 -1.65 115.64 123.00 1nd5 s THR 3283Ca 0.04 -2.80 -0.07 0.00 0.31 0.00 0.00 61.69 59.17 1nd5 s THR 3283Cb -0.12 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1nd5 s THR 3283CO 0.01 -0.80 0.29 -1.61 -0.69 0.00 0.00 174.62 171.82 1nd5 s GLU 3284N 0.21 3.61 -0.19 4.92 2.02 0.18 -1.22 118.70 128.24 1nd5 s GLU 3284Ca 0.16 -0.03 -0.01 0.00 0.02 0.00 0.00 54.97 55.11 1nd5 s GLU 3284Cb -0.24 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1nd5 s GLU 3284CO -0.03 0.64 -0.12 -1.17 0.02 0.00 0.00 175.26 174.60 1nd5 s LEU 3285N -1.74 2.53 0.17 1.80 2.96 0.81 0.39 118.68 125.60 1nd5 s LEU 3285Ca 0.28 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 53.79 1nd5 s LEU 3285Cb -0.13 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1nd5 s LEU 3285CO 0.16 0.02 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.76 1nd5 s TYR 3286N 1.21 2.57 -0.18 5.38 1.51 0.30 -1.01 117.35 127.13 1nd5 s TYR 3286Ca 0.02 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1nd5 s TYR 3286Cb -0.14 -1.28 0.00 0.00 -0.11 0.00 0.00 41.96 40.43 1nd5 s TYR 3286CO -0.05 0.49 -0.14 0.12 -1.11 0.00 0.00 175.55 174.85 1nd5 s PHE 3287N -1.58 2.83 0.00 2.71 5.36 0.37 0.12 117.98 127.78 1nd5 s PHE 3287Ca 0.23 -1.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.00 1nd5 s PHE 3287Cb -0.09 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 1nd5 s PHE 3287CO 0.13 -0.60 0.00 -1.91 -1.46 0.00 0.00 175.22 171.38 1nd5 n GLU 3288N 4.45 0.00 -0.03 10.12 2.13 0.43 -0.46 120.64 137.28 1nd5 n GLU 3288Ca -0.19 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.62 1nd5 n GLU 3288Cb 0.51 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.22 1nd5 n GLU 3288CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1nd5 n LYS 3289N 0.00 0.08 -0.74 5.31 0.00 -1.26 -3.86 118.16 117.69 1nd5 n LYS 3289Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 58.31 57.81 1nd5 n LYS 3289Cb 0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 35.03 33.05 1nd5 n LYS 3289CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nd5 n GLY 3290N 3.91 0.30 3.03 2.58 0.00 -1.26 -4.94 105.19 108.82 1nd5 n GLY 3290Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1nd5 n GLY 3290CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nd5 n GLU 3291N -1.64 0.90 -4.55 1.61 1.02 -1.25 -5.12 120.64 111.61 1nd5 n GLU 3291Ca 0.00 -2.89 -0.21 0.00 -0.02 0.00 0.00 57.16 54.04 1nd5 n GLU 3291Cb 0.07 0.52 -0.15 0.00 -0.02 0.00 0.00 31.44 31.86 1nd5 n GLU 3291CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1nd5 s TYR 3292N -2.33 1.17 0.10 -0.32 1.51 -1.26 -0.43 117.35 115.79 1nd5 s TYR 3292Ca 0.14 -0.24 0.05 0.00 -1.01 0.00 0.00 57.07 56.01 1nd5 s TYR 3292Cb -0.01 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 41.06 1nd5 s TYR 3292CO 0.09 -0.01 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.34 1nd5 s PHE 3293N -0.38 1.20 -0.18 2.71 0.40 0.32 0.16 117.98 122.21 1nd5 s PHE 3293Ca 0.04 -0.57 -0.05 0.00 -0.60 0.00 0.00 56.93 55.76 1nd5 s PHE 3293Cb -0.05 -0.65 -0.03 0.00 0.51 0.00 0.00 43.02 42.80 1nd5 s PHE 3293CO -0.00 0.06 -0.01 0.08 0.70 0.00 0.00 175.22 176.05 1nd5 s VAL 3294N -2.05 3.95 -0.11 -0.44 1.01 0.11 0.11 120.40 122.97 1nd5 s VAL 3294Ca 0.05 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1nd5 s VAL 3294Cb -0.05 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1nd5 s VAL 3294CO 0.02 0.45 -0.21 -1.61 0.00 0.00 0.00 175.10 173.75 1nd5 s GLU 3295N 0.73 3.13 -0.06 2.72 2.02 0.16 -2.64 118.70 124.76 1nd5 s GLU 3295Ca -0.01 -0.83 0.05 0.00 0.02 0.00 0.00 54.97 54.20 1nd5 s GLU 3295Cb -0.14 -2.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 1nd5 s GLU 3295CO 0.02 0.17 -0.22 -1.64 0.02 0.00 0.00 175.26 173.61 1nd5 s MET 3296N 0.39 2.60 -0.01 1.61 -1.94 -1.26 -0.65 119.30 120.05 1nd5 s MET 3296Ca -0.16 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 52.98 1nd5 s MET 3296Cb -0.17 -2.24 0.01 0.00 2.01 0.00 0.00 34.83 34.43 1nd5 s MET 3296CO 0.07 0.42 -0.01 0.71 -0.01 0.00 0.00 175.02 176.20 1nd5 s TYR 3297N -0.24 0.20 -0.35 -0.03 1.51 -0.66 -0.26 117.35 117.53 1nd5 s TYR 3297Ca -0.01 -0.01 -0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1nd5 s TYR 3297Cb -0.13 -0.19 0.05 0.00 -0.11 0.00 0.00 41.96 41.57 1nd5 s TYR 3297CO 0.03 -0.04 0.12 -0.47 -1.11 0.00 0.00 175.55 174.08 1nd5 s TYR 3298N 0.30 3.29 -0.89 2.71 5.04 -0.26 0.60 117.35 128.14 1nd5 s TYR 3298Ca -0.03 -1.55 -0.20 0.00 -2.44 0.00 0.00 57.07 52.86 1nd5 s TYR 3298Cb -0.05 -2.42 0.11 0.00 0.35 0.00 0.00 41.96 39.96 1nd5 s TYR 3298CO -0.01 -0.77 1.13 0.50 -1.34 0.00 0.00 175.55 175.06 1nd5 s ARG 3299N 1.37 3.51 -0.04 4.97 3.52 0.10 -1.04 118.95 131.35 1nd5 s ARG 3299Ca -0.01 -1.54 0.19 0.00 -0.13 0.00 0.00 55.73 54.24 1nd5 s ARG 3299Cb -0.20 -4.84 0.59 0.00 -1.56 0.00 0.00 34.95 28.95 1nd5 s ARG 3299CO 0.02 -1.82 1.50 0.27 -0.81 0.00 0.00 175.30 174.46 1nd5 n ASN 3300N 6.96 3.97 -3.61 -2.12 6.94 -1.26 -1.53 115.26 124.61 1nd5 n ASN 3300Ca 0.20 -2.17 -0.13 0.00 -0.02 0.00 0.00 54.58 52.45 1nd5 n ASN 3300Cb 0.49 -0.46 -0.07 0.00 -2.36 0.00 0.00 39.78 37.37 1nd5 n ASN 3300CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1nd5 s GLU 3301N -1.32 0.78 0.14 -3.83 -1.05 -1.26 -4.85 118.70 107.32 1nd5 s GLU 3301Ca 0.44 0.73 -0.07 0.00 -0.15 0.00 0.00 54.97 55.93 1nd5 s GLU 3301Cb 0.25 0.38 -0.03 0.00 -0.44 0.00 0.00 34.13 34.29 1nd5 s GLU 3301CO 0.26 -0.13 1.38 1.79 0.95 0.00 0.00 175.26 179.51 1nd5 h THR 3302N 3.66 1.32 0.00 1.83 1.35 -1.99 -3.10 112.91 115.98 1nd5 h THR 3302Ca -0.28 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 1nd5 h THR 3302Cb 1.16 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1nd5 h THR 3302CO 0.13 0.63 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 1nd5 n GLN 3303N -3.90 0.49 -4.23 4.72 6.02 -1.26 -4.81 117.38 114.41 1nd5 n GLN 3303Ca -0.06 0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.81 1nd5 n GLN 3303Cb 0.71 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.38 1nd5 n GLN 3303CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1nd5 s HIS 3304N -2.09 1.38 0.41 1.08 3.76 -1.17 -5.17 115.29 113.49 1nd5 s HIS 3304Ca 0.24 -1.49 -0.05 0.00 -0.15 0.00 0.00 55.06 53.62 1nd5 s HIS 3304Cb 0.12 -0.61 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 1nd5 s HIS 3304CO 0.21 -0.73 0.69 -1.21 -0.85 0.00 0.00 174.74 172.85 1nd5 s GLU 3305N -3.89 3.57 0.02 1.40 2.02 -1.26 -4.77 118.70 115.79 1nd5 s GLU 3305Ca 0.40 0.08 -0.34 0.00 0.02 0.00 0.00 54.97 55.13 1nd5 s GLU 3305Cb 0.05 -2.48 -0.13 0.00 0.10 0.00 0.00 34.13 31.67 1nd5 s GLU 3305CO 0.18 -0.04 1.74 -2.30 0.02 0.00 0.00 175.26 174.86 1nd5 n PRO 3306N -1.83 2.12 -2.32 0.39 -0.02 -1.26 -4.86 135.00 127.21 1nd5 n PRO 3306Ca -0.01 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 1nd5 n PRO 3306Cb 0.55 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1nd5 n PRO 3306CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nd5 s TYR 3307N 2.66 2.71 -0.01 6.00 6.14 -0.20 -4.70 117.35 129.95 1nd5 s TYR 3307Ca 0.87 0.85 -0.32 0.00 0.64 0.00 0.00 57.07 59.11 1nd5 s TYR 3307Cb -0.70 -3.59 -0.11 0.00 0.42 0.00 0.00 41.96 37.98 1nd5 s TYR 3307CO 0.46 -2.16 1.91 -2.30 0.64 0.00 0.00 175.55 174.10 1nd5 n PRO 3308N 6.43 2.54 -3.84 4.97 -0.02 -1.26 -1.10 135.00 142.71 1nd5 n PRO 3308Ca 0.14 0.93 -0.34 0.00 -2.02 0.00 0.00 63.50 62.22 1nd5 n PRO 3308Cb 0.44 -2.83 -0.05 0.00 -0.02 0.00 0.00 33.50 31.05 1nd5 n PRO 3308CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nd5 s LEU 3309N 4.04 4.36 -0.05 2.45 1.43 0.64 -4.92 118.68 126.64 1nd5 s LEU 3309Ca 0.90 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 1nd5 s LEU 3309Cb -0.56 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 42.98 1nd5 s LEU 3309CO 0.46 0.24 -0.10 -0.32 0.23 0.00 0.00 176.35 176.86 1nd5 s MET 3310N -1.94 1.34 -0.50 1.70 1.75 -1.26 -4.26 119.30 116.13 1nd5 s MET 3310Ca 0.28 -0.35 -0.28 0.00 -1.25 0.00 0.00 55.69 54.10 1nd5 s MET 3310Cb -0.13 -1.17 -0.00 0.00 2.84 0.00 0.00 34.83 36.37 1nd5 s MET 3310CO 0.18 0.06 1.64 -1.17 -0.65 0.00 0.00 175.02 175.08 1nd5 s LEU 3311N 0.50 3.42 -0.56 4.11 2.96 -1.26 -4.77 118.68 123.07 1nd5 s LEU 3311Ca -0.10 0.63 -0.36 0.00 -0.22 0.00 0.00 54.13 54.09 1nd5 s LEU 3311Cb -0.13 -3.09 -0.16 0.00 0.50 0.00 0.00 46.19 43.31 1nd5 s LEU 3311CO 0.02 -1.86 2.32 -0.81 -1.32 0.00 0.00 176.35 174.70 1nd5 n PRO 3312N 8.67 0.50 0.00 0.98 -0.04 -1.26 0.89 135.00 144.74 1nd5 n PRO 3312Ca 0.18 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1nd5 n PRO 3312Cb 0.49 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1nd5 n PRO 3312CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nd5 n GLY 3313N 6.76 1.67 3.26 0.55 0.00 -1.26 -5.10 105.19 111.07 1nd5 n GLY 3313Ca 0.51 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.35 1nd5 n GLY 3313CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nd5 s SER 3315N -2.69 5.86 0.57 0.00 1.04 -1.26 -4.26 113.70 112.95 1nd5 s SER 3315Ca 0.12 1.79 0.38 0.00 0.48 0.00 0.00 55.95 58.73 1nd5 s SER 3315Cb -0.03 -2.53 1.48 0.00 0.10 0.00 0.00 66.02 65.04 1nd5 s SER 3315CO 0.03 -1.11 1.63 -0.65 0.98 0.00 0.00 173.24 174.12 1nd5 h PRO 3316N 0.47 0.00 -2.36 4.02 0.11 -1.94 -0.43 132.00 131.87 1nd5 h PRO 3316Ca -0.47 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.99 1nd5 h PRO 3316Cb 1.22 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.94 1nd5 h PRO 3316CO 0.58 0.00 -0.26 0.45 -0.21 0.00 0.00 178.00 178.56 1nd5 n SER 3317N -3.84 4.44 -4.64 -2.05 2.88 -1.26 -4.45 113.62 104.69 1nd5 n SER 3317Ca 0.30 -3.45 -0.43 0.00 -1.33 0.00 0.00 58.87 53.96 1nd5 n SER 3317Cb 1.50 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 64.12 1nd5 n SER 3317CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nd5 n PRO 3319N 7.63 1.66 -0.20 0.00 -0.04 -1.26 0.06 135.00 142.85 1nd5 n PRO 3319Ca 0.19 0.59 -0.03 0.00 -0.04 0.00 0.00 63.50 64.21 1nd5 n PRO 3319Cb 0.44 -2.12 0.03 0.00 -0.04 0.00 0.00 33.50 31.82 1nd5 n PRO 3319CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1nd5 h LEU 3320N 2.04 -0.88 -1.52 1.53 5.85 -0.59 -1.41 115.31 120.33 1nd5 h LEU 3320Ca -0.44 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1nd5 h LEU 3320Cb 1.32 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1nd5 h LEU 3320CO 0.60 -0.26 0.03 -0.33 -0.34 0.00 0.00 178.44 178.13 1nd5 h GLU 3321N -0.10 0.34 0.00 1.25 4.39 -1.89 -2.13 114.58 116.43 1nd5 h GLU 3321Ca 0.26 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.75 1nd5 h GLU 3321Cb 0.51 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1nd5 h GLU 3321CO -0.65 0.34 -0.77 -0.09 -1.16 0.00 0.00 179.01 176.68 1nd5 h ARG 3322N 0.33 0.00 0.17 2.33 9.65 -1.70 -2.45 114.38 122.71 1nd5 h ARG 3322Ca 0.08 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1nd5 h ARG 3322Cb 0.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1nd5 h ARG 3322CO 0.00 0.77 -0.08 0.35 2.80 0.00 0.00 179.97 183.80 1nd5 h PHE 3323N 0.00 -0.21 -1.12 2.20 3.57 -0.67 0.06 116.94 120.77 1nd5 h PHE 3323Ca -0.01 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.80 1nd5 h PHE 3323Cb 1.43 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 40.17 1nd5 h PHE 3323CO 0.00 -0.13 0.77 0.00 -2.23 0.00 0.00 178.31 176.72 1nd5 h ALA 3324N -1.87 2.72 -0.04 2.41 0.00 -1.51 0.31 119.26 121.29 1nd5 h ALA 3324Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nd5 h ALA 3324Cb 0.18 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nd5 h ALA 3324CO 0.04 -1.10 -0.02 1.49 0.00 0.00 0.00 179.25 179.65 1nd5 h GLU 3325N 0.17 0.08 -0.20 0.00 4.81 -1.28 0.12 114.58 118.27 1nd5 h GLU 3325Ca 0.58 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.65 1nd5 h GLU 3325Cb 1.95 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.31 1nd5 h GLU 3325CO -0.15 0.49 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.12 1nd5 h LEU 3326N -0.33 0.52 0.00 1.64 3.38 0.12 -3.00 115.31 117.64 1nd5 h LEU 3326Ca 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1nd5 h LEU 3326Cb 0.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1nd5 h LEU 3326CO 0.01 0.88 -0.11 1.62 0.09 0.00 0.00 178.44 180.92 1nd5 h VAL 3327N 0.40 0.00 -0.59 1.22 3.04 -0.52 -3.38 116.25 116.42 1nd5 h VAL 3327Ca 0.03 -0.66 0.11 0.00 -1.01 0.00 0.00 66.70 65.16 1nd5 h VAL 3327Cb 0.92 1.60 -0.11 0.00 -2.01 0.00 0.00 31.29 31.68 1nd5 h VAL 3327CO 0.08 0.00 -0.32 1.23 -1.01 0.00 0.00 177.57 177.55 1nd5 h GLY 3328N 4.34 -0.06 1.36 3.17 0.00 -0.60 -2.58 103.07 108.69 1nd5 h GLY 3328Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1nd5 h GLY 3328CO 0.00 -0.21 0.20 -1.55 0.00 0.00 0.00 176.54 174.98 1nd5 n PRO 3329N -5.44 0.05 -0.01 4.80 -0.04 -1.26 -1.93 135.00 131.17 1nd5 n PRO 3329Ca 0.04 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1nd5 n PRO 3329Cb 0.35 -1.85 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 1nd5 n PRO 3329CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1nd5 n VAL 3330N -1.69 0.03 -3.23 0.52 0.24 -0.97 -4.88 118.33 108.35 1nd5 n VAL 3330Ca -0.00 -0.52 -0.41 0.00 -2.04 0.00 0.00 64.34 61.37 1nd5 n VAL 3330Cb 0.21 1.34 -0.08 0.00 -1.47 0.00 0.00 33.84 33.84 1nd5 n VAL 3330CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1nd5 s ILE 3331N -1.45 5.02 0.54 1.34 1.01 -0.82 -3.45 121.20 123.39 1nd5 s ILE 3331Ca 0.21 0.49 -0.22 0.00 0.00 0.00 0.00 60.65 61.13 1nd5 s ILE 3331Cb 0.15 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1nd5 s ILE 3331CO 0.22 -0.15 1.35 -2.16 0.00 0.00 0.00 174.94 174.20 1nd5 s PRO 3332N 2.40 3.17 -0.14 2.79 0.04 -1.24 -4.94 135.00 137.09 1nd5 s PRO 3332Ca 0.20 2.21 -0.21 0.00 0.04 0.00 0.00 61.00 63.23 1nd5 s PRO 3332Cb -0.15 -2.26 -0.25 0.00 0.04 0.00 0.00 34.50 31.87 1nd5 s PRO 3332CO 0.12 -1.15 0.55 1.96 0.04 0.00 0.00 177.00 178.52 1nd5 h GLN 3333N 1.49 0.12 -2.46 4.56 1.08 -1.96 -3.42 115.11 114.51 1nd5 h GLN 3333Ca -0.51 -0.21 -0.59 0.00 -1.45 0.00 0.00 58.65 55.90 1nd5 h GLN 3333Cb 1.30 0.08 -0.38 0.00 -0.05 0.00 0.00 27.48 28.42 1nd5 h GLN 3333CO 0.57 1.10 -0.92 0.34 -0.95 0.00 0.00 178.83 178.97 1nd5 s ASP 3334N -6.77 2.10 0.20 1.46 3.68 -1.26 -5.01 116.67 111.07 1nd5 s ASP 3334Ca -0.22 -2.68 -0.19 0.00 2.13 0.00 0.00 52.55 51.59 1nd5 s ASP 3334Cb 0.03 -0.42 0.17 0.00 -1.45 0.00 0.00 42.92 41.24 1nd5 s ASP 3334CO 0.70 -0.23 1.58 -0.25 0.13 0.00 0.00 175.17 177.11 1nd5 h TRP 3335N 6.24 -0.88 -0.07 -5.34 7.01 -1.95 0.41 115.95 121.36 1nd5 h TRP 3335Ca 0.18 0.08 0.01 0.00 2.11 0.00 0.00 58.89 61.27 1nd5 h TRP 3335Cb 0.94 0.48 -0.03 0.00 -2.10 0.00 0.00 29.16 28.45 1nd5 h TRP 3335CO 0.34 -0.38 -0.22 1.03 -2.79 0.00 0.00 178.44 176.43 1nd5 h SER 3336N -0.12 -0.70 -0.52 2.65 0.87 -1.99 0.12 113.55 113.87 1nd5 h SER 3336Ca 0.27 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.96 1nd5 h SER 3336Cb 0.56 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 1nd5 h SER 3336CO -0.74 -0.19 0.35 0.74 -0.53 0.00 0.00 176.83 176.46 1nd5 h THR 3337N -0.22 1.01 0.00 2.23 2.02 -1.85 -0.58 112.91 115.52 1nd5 h THR 3337Ca 0.02 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1nd5 h THR 3337Cb 0.26 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1nd5 h THR 3337CO -0.19 0.09 -0.10 -0.33 0.37 0.00 0.00 175.52 175.37 1nd5 h GLU 3338N 0.51 0.00 -0.00 6.66 5.08 0.12 -0.01 114.58 126.94 1nd5 h GLU 3338Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1nd5 h GLU 3338Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nd5 h GLU 3338CO -0.06 0.10 -0.21 0.00 -1.00 0.00 0.00 179.01 177.84 1nd5 n MET 3340N -1.44 0.99 0.00 0.00 0.00 -0.02 -1.60 117.12 115.05 1nd5 n MET 3340Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 57.70 58.13 1nd5 n MET 3340Cb 0.33 -2.02 0.00 0.00 0.00 0.00 0.00 33.22 31.54 1nd5 n MET 3340CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60