#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxz s VAL 3002N 0.00 3.05 -0.17 2.62 0.11 -1.26 -3.58 120.40 121.16 2nxz s VAL 3002Ca 0.00 -0.73 -0.08 0.00 -2.93 0.00 0.00 61.98 58.24 2nxz s VAL 3002Cb 0.00 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 2nxz s VAL 3002CO 0.00 0.59 0.09 -1.10 -3.33 0.00 0.00 175.10 171.35 2nxz s GLN 3003N -0.73 3.88 -0.30 1.54 1.11 0.71 -4.90 119.66 120.97 2nxz s GLN 3003Ca 0.11 -0.28 -0.06 0.00 0.01 0.00 0.00 55.36 55.14 2nxz s GLN 3003Cb -0.11 -3.23 0.02 0.00 -1.01 0.00 0.00 33.01 28.68 2nxz s GLN 3003CO 0.00 0.39 0.07 -0.51 0.01 0.00 0.00 175.29 175.25 2nxz s LEU 3004N 0.07 3.88 -0.21 2.90 1.43 -1.26 -1.05 118.68 124.44 2nxz s LEU 3004Ca 0.07 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 2nxz s LEU 3004Cb -0.12 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 2nxz s LEU 3004CO 0.00 -0.21 -0.08 -0.69 0.23 0.00 0.00 176.35 175.60 2nxz s VAL 3005N 1.46 3.05 0.41 -1.59 1.01 -0.60 -3.93 120.40 120.22 2nxz s VAL 3005Ca 0.01 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2nxz s VAL 3005Cb -0.18 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2nxz s VAL 3005CO 0.02 0.45 0.62 -1.61 0.00 0.00 0.00 175.10 174.58 2nxz s GLU 3006N 1.43 3.17 0.90 2.72 2.02 -1.26 -0.96 118.70 126.73 2nxz s GLU 3006Ca 0.06 -0.51 -0.12 0.00 0.02 0.00 0.00 54.97 54.42 2nxz s GLU 3006Cb -0.14 -2.61 0.13 0.00 0.10 0.00 0.00 34.13 31.61 2nxz s GLU 3006CO -0.06 -0.14 1.15 -1.54 0.02 0.00 0.00 175.26 174.69 2nxz s SER 3007N -4.17 3.61 0.93 -0.19 1.04 -0.56 -4.97 113.70 109.39 2nxz s SER 3007Ca 0.46 0.92 -0.14 0.00 0.48 0.00 0.00 55.95 57.67 2nxz s SER 3007Cb -0.10 -1.47 0.15 0.00 0.10 0.00 0.00 66.02 64.71 2nxz s SER 3007CO 0.37 -2.48 1.18 -0.83 0.98 0.00 0.00 173.24 172.45 2nxz s GLY 3008N -4.12 1.62 0.42 7.32 0.00 -1.26 -4.69 107.32 106.61 2nxz s GLY 3008Ca 0.64 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 44.37 2nxz s GLY 3008CO 0.53 -0.10 1.35 0.00 0.00 0.00 0.00 173.10 174.87 2nxz n ALA 3009N -3.79 1.64 -2.44 3.20 0.00 -1.26 -4.79 120.51 113.07 2nxz n ALA 3009Ca 0.09 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 2nxz n ALA 3009Cb 0.60 -2.32 -0.13 0.00 0.00 0.00 0.00 19.45 17.60 2nxz n ALA 3009CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2nxz s GLU 3010N -2.23 1.85 -0.09 0.00 0.41 0.56 -4.99 118.70 114.19 2nxz s GLU 3010Ca 0.60 -1.11 0.01 0.00 -0.41 0.00 0.00 54.97 54.05 2nxz s GLU 3010Cb -0.49 -2.09 0.02 0.00 -1.78 0.00 0.00 34.13 29.78 2nxz s GLU 3010CO 0.59 0.50 -0.10 0.08 -0.49 0.00 0.00 175.26 175.85 2nxz s VAL 3011N -1.00 1.09 0.04 2.63 1.01 -1.26 -1.32 120.40 121.60 2nxz s VAL 3011Ca 0.15 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2nxz s VAL 3011Cb -0.10 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2nxz s VAL 3011CO 0.06 0.37 -0.08 -0.54 0.00 0.00 0.00 175.10 174.91 2nxz s LYS 3012N 1.26 0.56 0.41 2.72 -0.14 0.13 -4.99 119.74 119.69 2nxz s LYS 3012Ca -0.03 -0.71 -0.21 0.00 -1.36 0.00 0.00 55.97 53.66 2nxz s LYS 3012Cb -0.14 -0.39 -0.11 0.00 -1.68 0.00 0.00 37.83 35.51 2nxz s LYS 3012CO -0.03 0.08 0.94 0.15 -0.76 0.00 0.00 175.35 175.72 2nxz s LYS 3013N -1.39 4.27 0.36 1.68 -0.14 -1.26 -1.26 119.74 122.00 2nxz s LYS 3013Ca -0.07 1.12 -0.28 0.00 -1.36 0.00 0.00 55.97 55.38 2nxz s LYS 3013Cb -0.09 -2.29 -0.11 0.00 -1.68 0.00 0.00 37.83 33.66 2nxz s LYS 3013CO 0.01 0.03 1.50 -2.30 -0.76 0.00 0.00 175.35 173.82 2nxz n PRO 3014N -0.44 2.66 0.00 -1.68 -0.02 -1.26 -1.97 135.00 132.28 2nxz n PRO 3014Ca 0.06 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2nxz n PRO 3014Cb 0.53 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2nxz n PRO 3014CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxz n GLY 3015N 0.75 3.38 3.82 -1.23 0.00 0.11 -4.92 105.19 107.10 2nxz n GLY 3015Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2nxz n GLY 3015CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nxz s SER 3016N -1.09 3.07 0.35 1.61 0.01 -0.83 -4.31 113.70 112.51 2nxz s SER 3016Ca 0.00 0.64 0.09 0.00 1.31 0.00 0.00 55.95 57.99 2nxz s SER 3016Cb 0.00 -0.97 -0.05 0.00 0.21 0.00 0.00 66.02 65.21 2nxz s SER 3016CO 0.00 -2.80 0.05 -0.94 0.41 0.00 0.00 173.24 169.96 2nxz s SER 3017N -4.38 4.28 0.01 2.44 1.04 -1.26 -0.92 113.70 114.91 2nxz s SER 3017Ca 0.68 -0.97 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 2nxz s SER 3017Cb -0.10 -0.56 -0.01 0.00 0.10 0.00 0.00 66.02 65.45 2nxz s SER 3017CO 0.53 -0.28 0.01 0.54 0.98 0.00 0.00 173.24 175.02 2nxz s VAL 3018N -2.51 0.07 -0.21 5.02 0.11 -0.67 -5.01 120.40 117.20 2nxz s VAL 3018Ca 0.36 -0.55 -0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2nxz s VAL 3018Cb 0.00 -0.20 0.06 0.00 -1.53 0.00 0.00 36.38 34.72 2nxz s VAL 3018CO 0.20 -0.30 0.00 -0.75 -3.33 0.00 0.00 175.10 170.92 2nxz s LYS 3019N -0.90 1.00 0.05 1.54 2.20 -1.26 -1.54 119.74 120.83 2nxz s LYS 3019Ca -0.10 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 2nxz s LYS 3019Cb -0.06 -2.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 2nxz s LYS 3019CO -0.00 -0.62 0.13 0.14 -0.36 0.00 0.00 175.35 174.63 2nxz s VAL 3020N 1.69 4.94 0.25 4.02 -7.23 -0.16 -4.94 120.40 118.96 2nxz s VAL 3020Ca -0.03 -0.51 0.06 0.00 -1.81 0.00 0.00 61.98 59.69 2nxz s VAL 3020Cb -0.18 -3.36 -0.05 0.00 0.56 0.00 0.00 36.38 33.35 2nxz s VAL 3020CO -0.07 0.19 -0.07 -0.94 -0.31 0.00 0.00 175.10 173.90 2nxz s SER 3021N -2.25 2.53 -0.20 4.85 1.04 -1.26 -0.95 113.70 117.46 2nxz s SER 3021Ca 0.30 -1.15 -0.04 0.00 0.48 0.00 0.00 55.95 55.54 2nxz s SER 3021Cb -0.12 -0.13 0.10 0.00 0.10 0.00 0.00 66.02 65.97 2nxz s SER 3021CO 0.22 -0.33 0.26 0.00 0.98 0.00 0.00 173.24 174.37 2nxz s LYS 3023N 2.39 4.15 -0.25 0.00 2.47 -0.13 -0.56 119.74 127.80 2nxz s LYS 3023Ca 0.07 0.69 -0.14 0.00 -1.56 0.00 0.00 55.97 55.04 2nxz s LYS 3023Cb -0.15 -3.64 -0.04 0.00 -1.46 0.00 0.00 37.83 32.54 2nxz s LYS 3023CO -0.12 -0.43 0.31 0.00 0.16 0.00 0.00 175.35 175.27 2nxz s ALA 3024N 2.56 3.56 0.16 3.13 0.00 -0.12 -1.55 121.76 129.51 2nxz s ALA 3024Ca 0.29 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 51.54 2nxz s ALA 3024Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 2nxz s ALA 3024CO 0.08 -0.50 -0.25 -1.12 0.00 0.00 0.00 175.76 173.97 2nxz s SER 3025N 1.46 3.40 0.00 0.00 0.01 -0.21 -4.83 113.70 113.53 2nxz s SER 3025Ca 0.13 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2nxz s SER 3025Cb -0.15 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2nxz s SER 3025CO 0.09 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2nxz n GLY 3026N 0.59 2.15 2.28 3.44 0.00 -1.26 -0.21 105.19 112.18 2nxz n GLY 3026Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2nxz n GLY 3026CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2nxz n ASP 3027N 0.00 -0.74 -4.61 1.61 4.64 -1.24 -4.54 116.55 111.68 2nxz n ASP 3027Ca 0.00 -2.40 -0.43 0.00 -1.38 0.00 0.00 54.79 50.58 2nxz n ASP 3027Cb 0.00 1.48 -0.02 0.00 -1.04 0.00 0.00 41.12 41.54 2nxz n ASP 3027CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2nxz s THR 3028N -2.80 4.09 0.22 5.18 2.01 -1.26 -4.93 115.64 118.15 2nxz s THR 3028Ca 0.23 1.14 -0.11 0.00 0.31 0.00 0.00 61.69 63.27 2nxz s THR 3028Cb 0.00 -4.38 0.21 0.00 0.01 0.00 0.00 72.50 68.34 2nxz s THR 3028CO 0.17 -0.81 1.66 0.15 -0.69 0.00 0.00 174.62 175.09 2nxz h PHE 3029N 9.77 -0.08 0.00 4.92 3.57 -1.96 -1.90 116.94 131.26 2nxz h PHE 3029Ca -0.25 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.30 2nxz h PHE 3029Cb 1.08 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2nxz h PHE 3029CO 0.95 -0.19 0.00 0.44 -2.23 0.00 0.00 178.31 177.29 2nxz n ILE 3030N -5.31 0.15 1.07 1.41 -5.35 -1.26 -1.95 119.36 108.12 2nxz n ILE 3030Ca 0.09 0.04 0.10 0.00 -0.27 0.00 0.00 62.75 62.71 2nxz n ILE 3030Cb 0.36 -0.64 0.33 0.00 -1.74 0.00 0.00 39.64 37.95 2nxz n ILE 3030CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2nxz n ARG 3031N -1.18 1.84 -4.56 6.28 1.74 -0.71 -4.02 116.66 116.04 2nxz n ARG 3031Ca 0.14 -1.27 -0.30 0.00 -0.77 0.00 0.00 57.85 55.66 2nxz n ARG 3031Cb 0.15 -1.39 -0.13 0.00 -1.02 0.00 0.00 32.46 30.07 2nxz n ARG 3031CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2nxz s TYR 3032N -1.72 2.44 0.05 -1.55 1.51 -0.82 -0.42 117.35 116.84 2nxz s TYR 3032Ca 0.32 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.08 2nxz s TYR 3032Cb 0.17 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 2nxz s TYR 3032CO 0.26 0.28 0.06 -1.54 -1.11 0.00 0.00 175.55 173.49 2nxz s SER 3033N -1.71 5.44 0.07 2.29 1.04 -0.81 -3.87 113.70 116.16 2nxz s SER 3033Ca 0.15 0.00 0.09 0.00 0.48 0.00 0.00 55.95 56.67 2nxz s SER 3033Cb -0.10 -1.46 -0.03 0.00 0.10 0.00 0.00 66.02 64.53 2nxz s SER 3033CO 0.06 0.21 -0.24 -0.36 0.98 0.00 0.00 173.24 173.89 2nxz s PHE 3034N -1.29 2.06 0.04 5.02 0.40 -0.87 -2.02 117.98 121.31 2nxz s PHE 3034Ca 0.26 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.23 2nxz s PHE 3034Cb -0.12 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 2nxz s PHE 3034CO 0.18 0.18 -0.11 0.99 0.70 0.00 0.00 175.22 177.16 2nxz s THR 3035N -0.92 0.82 -0.09 0.64 2.01 -0.31 0.11 115.64 117.90 2nxz s THR 3035Ca 0.10 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.18 2nxz s THR 3035Cb -0.10 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 2nxz s THR 3035CO 0.03 -0.13 -0.14 0.26 -0.69 0.00 0.00 174.62 173.95 2nxz s TRP 3036N -0.95 2.75 -0.03 4.92 0.52 -0.20 -0.93 118.94 125.01 2nxz s TRP 3036Ca -0.02 -0.43 0.02 0.00 0.02 0.00 0.00 56.10 55.68 2nxz s TRP 3036Cb -0.08 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.51 2nxz s TRP 3036CO 0.01 -0.04 -0.06 0.08 0.02 0.00 0.00 176.95 176.96 2nxz s VAL 3037N -0.15 0.60 0.29 4.03 1.01 -0.10 -0.73 120.40 125.36 2nxz s VAL 3037Ca -0.01 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 61.84 2nxz s VAL 3037Cb -0.14 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2nxz s VAL 3037CO 0.03 0.21 -0.17 0.00 0.00 0.00 0.00 175.10 175.17 2nxz s ARG 3038N 0.39 1.67 -0.21 2.72 1.70 -0.34 0.51 118.95 125.38 2nxz s ARG 3038Ca -0.05 -1.79 -0.04 0.00 -0.47 0.00 0.00 55.73 53.38 2nxz s ARG 3038Cb -0.09 -1.68 0.09 0.00 -0.57 0.00 0.00 34.95 32.70 2nxz s ARG 3038CO 0.00 0.27 0.20 -1.14 -1.08 0.00 0.00 175.30 173.55 2nxz s GLN 3039N -3.55 0.18 0.51 3.89 0.74 0.25 -1.15 119.66 120.52 2nxz s GLN 3039Ca 0.30 0.07 -0.21 0.00 0.05 0.00 0.00 55.36 55.56 2nxz s GLN 3039Cb -0.03 -1.26 -0.06 0.00 1.10 0.00 0.00 33.01 32.76 2nxz s GLN 3039CO 0.15 -0.72 1.17 0.00 -0.55 0.00 0.00 175.29 175.34 2nxz s ALA 3040N 2.28 2.83 0.05 1.58 0.00 -1.26 -1.17 121.76 126.06 2nxz s ALA 3040Ca 0.06 0.94 -0.35 0.00 0.00 0.00 0.00 51.96 52.61 2nxz s ALA 3040Cb -0.16 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 2nxz s ALA 3040CO -0.15 -0.80 1.59 -0.35 0.00 0.00 0.00 175.76 176.04 2nxz n PRO 3041N -0.90 1.76 -0.34 0.00 -0.04 -1.26 -0.59 135.00 133.63 2nxz n PRO 3041Ca 0.10 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 2nxz n PRO 3041Cb 0.49 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2nxz n PRO 3041CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nxz n GLY 3042N 3.43 2.30 2.93 0.55 0.00 -1.26 -5.00 105.19 108.14 2nxz n GLY 3042Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 2nxz n GLY 3042CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2nxz n GLN 3043N -2.00 0.81 -1.47 1.61 1.13 0.24 -5.14 117.38 112.56 2nxz n GLN 3043Ca 0.00 -2.55 -0.12 0.00 -1.94 0.00 0.00 57.00 52.39 2nxz n GLN 3043Cb 0.00 0.13 0.07 0.00 0.11 0.00 0.00 30.24 30.55 2nxz n GLN 3043CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nxz n GLY 3044N -0.17 0.30 3.75 1.08 0.00 -1.26 -4.67 105.19 104.22 2nxz n GLY 3044Ca 0.03 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 2nxz n GLY 3044CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nxz s LEU 3045N 0.00 4.61 -0.14 0.99 1.43 -1.26 -4.25 118.68 120.05 2nxz s LEU 3045Ca 0.34 1.94 -0.00 0.00 -1.03 0.00 0.00 54.13 55.38 2nxz s LEU 3045Cb -0.02 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.63 2nxz s LEU 3045CO 0.23 0.09 -0.08 -0.70 0.23 0.00 0.00 176.35 176.12 2nxz s GLU 3046N -0.92 1.61 0.10 1.70 2.12 -0.30 -4.98 118.70 118.03 2nxz s GLU 3046Ca 0.43 -0.43 -0.31 0.00 0.36 0.00 0.00 54.97 55.01 2nxz s GLU 3046Cb -0.26 -1.87 -0.08 0.00 0.26 0.00 0.00 34.13 32.18 2nxz s GLU 3046CO 0.32 -0.34 1.48 -0.46 -0.54 0.00 0.00 175.26 175.72 2nxz s TRP 3047N 1.63 3.01 -0.18 5.30 -0.00 -1.26 -1.20 118.94 126.23 2nxz s TRP 3047Ca 0.03 0.75 0.09 0.00 -0.00 0.00 0.00 56.10 56.97 2nxz s TRP 3047Cb -0.14 -3.78 -0.17 0.00 -0.00 0.00 0.00 33.47 29.37 2nxz s TRP 3047CO -0.08 -2.88 -0.05 -1.33 -0.00 0.00 0.00 176.95 172.60 2nxz n MET 3048N 4.44 0.96 0.00 5.86 2.81 0.09 -4.63 117.12 126.65 2nxz n MET 3048Ca 0.13 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2nxz n MET 3048Cb 0.41 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 2nxz n MET 3048CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2nxz n GLY 3049N 2.21 1.37 3.09 3.03 0.00 -1.20 -1.06 105.19 112.62 2nxz n GLY 3049Ca -0.32 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 2nxz n GLY 3049CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2nxz s ARG 3050N -2.00 0.24 -0.16 1.61 3.52 -0.18 -1.04 118.95 120.95 2nxz s ARG 3050Ca 0.00 0.34 -0.04 0.00 -0.13 0.00 0.00 55.73 55.91 2nxz s ARG 3050Cb 0.00 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.44 2nxz s ARG 3050CO 0.00 -0.06 -0.04 -1.50 -0.81 0.00 0.00 175.30 172.89 2nxz s ILE 3051N 0.33 3.79 -0.75 4.11 2.07 0.12 -0.86 121.20 130.00 2nxz s ILE 3051Ca -0.02 -0.39 -0.26 0.00 -1.41 0.00 0.00 60.65 58.58 2nxz s ILE 3051Cb -0.03 -2.67 0.04 0.00 0.13 0.00 0.00 42.46 39.93 2nxz s ILE 3051CO -0.01 0.48 1.23 -0.63 -1.91 0.00 0.00 174.94 174.10 2nxz s ILE 3052N 0.54 3.88 0.20 2.00 1.01 0.18 -2.05 121.20 126.96 2nxz s ILE 3052Ca -0.03 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 2nxz s ILE 3052Cb -0.14 -4.88 0.13 0.00 0.01 0.00 0.00 42.46 37.57 2nxz s ILE 3052CO 0.03 -1.78 1.85 0.74 0.00 0.00 0.00 174.94 175.78 2nxz h THR 3053N 6.09 1.19 -0.21 2.92 2.02 -1.84 0.16 112.91 123.23 2nxz h THR 3053Ca -0.23 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 2nxz h THR 3053Cb 1.05 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2nxz h THR 3053CO 1.27 0.19 0.01 -0.29 0.37 0.00 0.00 175.52 177.07 2nxz h ILE 3054N 0.94 1.13 0.00 3.11 6.09 -1.82 -2.86 117.51 124.11 2nxz h ILE 3054Ca 0.25 -0.51 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 2nxz h ILE 3054Cb -0.07 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.19 2nxz h ILE 3054CO -0.05 0.17 -1.43 0.18 -3.07 0.00 0.00 178.15 173.96 2nxz n LEU 3055N -4.37 0.44 -3.21 2.19 4.32 -0.83 -4.98 117.00 110.57 2nxz n LEU 3055Ca 0.00 -0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 2nxz n LEU 3055Cb 0.18 -0.04 0.07 0.00 -1.62 0.00 0.00 43.42 42.02 2nxz n LEU 3055CO 0.37 0.01 0.20 -0.67 -1.22 0.00 0.00 177.39 176.07 2nxz n ASP 3056N -2.17 -5.32 -4.16 -1.43 4.64 0.50 -5.01 116.55 103.61 2nxz n ASP 3056Ca -0.01 -0.48 -0.30 0.00 -1.38 0.00 0.00 54.79 52.62 2nxz n ASP 3056Cb 0.50 -4.49 -0.17 0.00 -1.04 0.00 0.00 41.12 35.92 2nxz n ASP 3056CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2nxz s VAL 3057N -3.29 1.82 0.10 5.18 1.01 -1.01 -4.97 120.40 119.25 2nxz s VAL 3057Ca 0.44 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.65 2nxz s VAL 3057Cb -0.20 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2nxz s VAL 3057CO 0.64 0.51 -0.26 0.00 0.00 0.00 0.00 175.10 175.99 2nxz s ALA 3058N 0.51 2.38 0.03 5.51 0.00 -1.26 0.50 121.76 129.43 2nxz s ALA 3058Ca -0.16 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 50.47 2nxz s ALA 3058Cb -0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2nxz s ALA 3058CO 0.06 0.54 -0.17 -1.01 0.00 0.00 0.00 175.76 175.18 2nxz s HIS 3059N -0.99 1.52 0.16 0.00 3.76 -0.04 -4.98 115.29 114.72 2nxz s HIS 3059Ca 0.14 -0.35 0.08 0.00 -0.15 0.00 0.00 55.06 54.78 2nxz s HIS 3059Cb -0.10 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 2nxz s HIS 3059CO 0.05 0.05 -0.17 0.71 -0.85 0.00 0.00 174.74 174.53 2nxz s TYR 3060N -0.74 1.74 0.35 1.40 1.51 -1.26 -1.01 117.35 119.35 2nxz s TYR 3060Ca 0.05 -0.49 -0.28 0.00 -1.01 0.00 0.00 57.07 55.33 2nxz s TYR 3060Cb -0.08 -0.87 -0.11 0.00 -0.11 0.00 0.00 41.96 40.79 2nxz s TYR 3060CO 0.01 0.30 1.43 0.00 -1.11 0.00 0.00 175.55 176.18 2nxz s ALA 3061N -2.14 3.56 0.17 3.71 0.00 -0.23 -4.86 121.76 121.97 2nxz s ALA 3061Ca 0.15 1.45 -0.15 0.00 0.00 0.00 0.00 51.96 53.41 2nxz s ALA 3061Cb -0.05 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 19.64 2nxz s ALA 3061CO 0.06 -0.89 1.71 -1.35 0.00 0.00 0.00 175.76 175.29 2nxz h PRO 3062N 3.36 0.15 0.00 0.00 0.11 -1.95 -1.41 132.00 132.27 2nxz h PRO 3062Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2nxz h PRO 3062Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2nxz h PRO 3062CO 0.66 0.10 0.00 -2.39 -0.21 0.00 0.00 178.00 176.16 2nxz n HIS 3063N -5.16 0.00 -0.03 0.65 1.44 -1.26 -2.51 115.22 108.35 2nxz n HIS 3063Ca 0.04 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.73 2nxz n HIS 3063Cb 0.22 -0.49 -0.07 0.00 0.12 0.00 0.00 29.99 29.77 2nxz n HIS 3063CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2nxz n LEU 3064N -1.49 0.00 -4.45 2.39 7.94 -0.66 -5.04 117.00 115.69 2nxz n LEU 3064Ca 0.01 0.00 -0.48 0.00 -1.11 0.00 0.00 56.01 54.43 2nxz n LEU 3064Cb 0.05 0.14 -0.03 0.00 0.53 0.00 0.00 43.42 44.12 2nxz n LEU 3064CO 0.04 0.14 0.18 0.00 -1.11 0.00 0.00 177.39 176.65 2nxz n GLN 3065N -2.16 0.29 0.00 1.96 1.13 -0.62 -2.36 117.38 115.62 2nxz n GLN 3065Ca -0.10 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2nxz n GLN 3065Cb 0.61 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.72 2nxz n GLN 3065CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nxz n GLY 3066N 1.82 3.01 0.61 1.08 0.00 -1.26 -4.81 105.19 105.64 2nxz n GLY 3066Ca 0.17 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.44 2nxz n GLY 3066CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2nxz n ARG 3067N 0.00 2.17 -5.10 1.61 1.85 -1.00 -4.95 116.66 111.25 2nxz n ARG 3067Ca 0.00 -1.81 -0.32 0.00 -1.00 0.00 0.00 57.85 54.72 2nxz n ARG 3067Cb 0.00 -1.27 -0.15 0.00 -1.05 0.00 0.00 32.46 30.00 2nxz n ARG 3067CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2nxz s VAL 3068N -0.99 2.51 -0.06 8.89 0.11 -1.24 -0.37 120.40 129.26 2nxz s VAL 3068Ca 0.21 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 2nxz s VAL 3068Cb 0.12 -1.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.05 2nxz s VAL 3068CO 0.16 0.58 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.59 2nxz s THR 3069N -0.48 0.52 -0.17 5.04 2.01 -0.28 -4.97 115.64 117.31 2nxz s THR 3069Ca 0.06 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 2nxz s THR 3069Cb -0.12 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 2nxz s THR 3069CO 0.01 0.24 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.51 2nxz s ILE 3070N 1.30 3.69 0.22 1.82 1.01 -1.26 -0.63 121.20 127.35 2nxz s ILE 3070Ca -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.22 2nxz s ILE 3070Cb -0.14 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 2nxz s ILE 3070CO -0.02 0.48 -0.03 0.42 0.00 0.00 0.00 174.94 175.78 2nxz s THR 3071N 0.64 1.15 -0.01 2.92 -4.23 -0.69 -4.81 115.64 110.61 2nxz s THR 3071Ca -0.03 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 2nxz s THR 3071Cb -0.15 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.42 2nxz s THR 3071CO 0.02 -0.39 -0.07 0.00 -0.54 0.00 0.00 174.62 173.64 2nxz s ALA 3072N -3.34 0.65 -0.42 3.99 0.00 -1.26 0.25 121.76 121.63 2nxz s ALA 3072Ca 0.27 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 2nxz s ALA 3072Cb 0.05 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.02 2nxz s ALA 3072CO 0.08 0.12 0.27 0.34 0.00 0.00 0.00 175.76 176.57 2nxz s ASP 3073N 0.07 5.71 0.31 0.00 3.68 0.19 -4.97 116.67 121.67 2nxz s ASP 3073Ca -0.01 -1.44 0.03 0.00 2.13 0.00 0.00 52.55 53.27 2nxz s ASP 3073Cb -0.06 -2.02 0.52 0.00 -1.45 0.00 0.00 42.92 39.91 2nxz s ASP 3073CO -0.00 -0.54 1.81 0.11 0.13 0.00 0.00 175.17 176.68 2nxz h LYS 3074N 8.46 0.51 0.00 4.34 1.57 -1.97 -0.12 116.57 129.36 2nxz h LYS 3074Ca -0.24 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 2nxz h LYS 3074Cb 1.09 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2nxz h LYS 3074CO 0.77 0.62 -0.21 0.66 -0.57 0.00 0.00 179.45 180.72 2nxz h SER 3075N 0.47 0.00 -0.09 0.86 4.64 -1.96 -3.00 113.55 114.47 2nxz h SER 3075Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2nxz h SER 3075Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2nxz h SER 3075CO 0.03 0.21 0.00 0.35 -0.87 0.00 0.00 176.83 176.54 2nxz n THR 3076N -3.63 0.91 -4.05 2.95 -2.24 -1.08 -5.01 114.28 102.13 2nxz n THR 3076Ca -0.01 -0.96 -0.31 0.00 -2.27 0.00 0.00 64.05 60.51 2nxz n THR 3076Cb 0.33 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.10 2nxz n THR 3076CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2nxz n SER 3077N -0.19 -2.48 -4.24 3.42 7.64 -0.11 -4.81 113.62 112.85 2nxz n SER 3077Ca 0.03 -0.95 -0.30 0.00 1.01 0.00 0.00 58.87 58.66 2nxz n SER 3077Cb 0.28 -3.15 -0.16 0.00 -1.01 0.00 0.00 64.21 60.17 2nxz n SER 3077CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2nxz s THR 3078N -3.54 1.86 -0.05 0.44 2.01 -0.87 -0.95 115.64 114.55 2nxz s THR 3078Ca 0.44 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 2nxz s THR 3078Cb -0.23 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2nxz s THR 3078CO 0.89 0.52 0.01 -0.69 -0.69 0.00 0.00 174.62 174.67 2nxz s VAL 3079N -0.24 4.31 0.04 3.82 1.01 0.28 0.56 120.40 130.18 2nxz s VAL 3079Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2nxz s VAL 3079Cb -0.12 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2nxz s VAL 3079CO 0.02 0.50 -0.22 -0.31 0.00 0.00 0.00 175.10 175.09 2nxz s TYR 3080N -0.99 1.93 -0.15 5.22 2.02 0.14 -1.04 117.35 124.47 2nxz s TYR 3080Ca 0.17 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.50 2nxz s TYR 3080Cb -0.11 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.30 2nxz s TYR 3080CO 0.06 0.08 -0.20 -1.17 -1.57 0.00 0.00 175.55 172.76 2nxz s LEU 3081N -1.11 2.06 -0.14 -1.29 0.20 -0.12 -1.70 118.68 116.58 2nxz s LEU 3081Ca 0.08 -0.60 -0.00 0.00 0.69 0.00 0.00 54.13 54.30 2nxz s LEU 3081Cb -0.09 -1.42 -0.01 0.00 -0.43 0.00 0.00 46.19 44.24 2nxz s LEU 3081CO 0.02 0.04 -0.14 -0.70 -0.29 0.00 0.00 176.35 175.28 2nxz s GLU 3082N 1.06 3.34 -0.15 1.98 2.12 0.20 -0.99 118.70 126.25 2nxz s GLU 3082Ca -0.01 -0.70 0.02 0.00 0.36 0.00 0.00 54.97 54.63 2nxz s GLU 3082Cb -0.14 -2.63 0.01 0.00 0.26 0.00 0.00 34.13 31.62 2nxz s GLU 3082CO -0.07 0.15 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.42 2nxz s LEU 3083N 0.50 2.13 0.29 2.70 0.20 -0.59 -1.12 118.68 122.79 2nxz s LEU 3083Ca -0.09 -0.61 0.06 0.00 0.69 0.00 0.00 54.13 54.18 2nxz s LEU 3083Cb -0.16 -1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 2nxz s LEU 3083CO 0.04 0.06 0.33 -0.13 -0.29 0.00 0.00 176.35 176.36 2nxz s ARG 3084N 0.94 3.07 -1.22 1.98 0.52 0.51 -1.66 118.95 123.08 2nxz s ARG 3084Ca -0.04 -1.01 -0.12 0.00 -0.52 0.00 0.00 55.73 54.04 2nxz s ARG 3084Cb -0.15 -2.70 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 2nxz s ARG 3084CO -0.05 0.26 0.70 0.09 0.02 0.00 0.00 175.30 176.33 2nxz n ASN 3085N -1.39 -3.55 -4.77 0.23 5.03 -1.16 -4.84 115.26 104.81 2nxz n ASN 3085Ca -0.05 -0.96 -0.40 0.00 0.87 0.00 0.00 54.58 54.04 2nxz n ASN 3085Cb 0.58 -3.54 -0.00 0.00 -1.02 0.00 0.00 39.78 35.80 2nxz n ASN 3085CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2nxz s LEU 3086N -6.55 4.24 0.23 3.41 1.43 -0.10 -4.63 118.68 116.71 2nxz s LEU 3086Ca 0.29 2.72 0.10 0.00 -1.03 0.00 0.00 54.13 56.21 2nxz s LEU 3086Cb -0.10 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 2nxz s LEU 3086CO 0.85 -0.85 -0.11 -0.13 0.23 0.00 0.00 176.35 176.34 2nxz s ARG 3087N -2.19 1.98 0.46 1.70 0.52 -1.26 0.05 118.95 120.20 2nxz s ARG 3087Ca 0.56 -1.47 0.20 0.00 -0.52 0.00 0.00 55.73 54.49 2nxz s ARG 3087Cb -0.40 -2.03 1.17 0.00 0.52 0.00 0.00 34.95 34.22 2nxz s ARG 3087CO 0.51 0.38 1.92 0.66 0.02 0.00 0.00 175.30 178.80 2nxz h SER 3088N 2.46 0.27 0.28 0.23 4.64 -1.97 0.16 113.55 119.62 2nxz h SER 3088Ca -0.44 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2nxz h SER 3088Cb 1.23 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2nxz h SER 3088CO 0.57 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.76 2nxz n ASP 3089N -4.44 0.00 0.00 4.97 5.75 -1.26 -1.91 116.55 119.65 2nxz n ASP 3089Ca 0.14 -0.43 0.14 0.00 -0.01 0.00 0.00 54.79 54.64 2nxz n ASP 3089Cb 0.61 -0.16 0.74 0.00 -1.03 0.00 0.00 41.12 41.28 2nxz n ASP 3089CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2nxz n ASP 3090N -1.16 0.00 -4.65 -1.12 10.43 0.55 -4.83 116.55 115.76 2nxz n ASP 3090Ca 0.16 -0.18 -0.42 0.00 2.57 0.00 0.00 54.79 56.92 2nxz n ASP 3090Cb 0.16 -0.27 -0.03 0.00 1.84 0.00 0.00 41.12 42.82 2nxz n ASP 3090CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 2nxz n THR 3091N -1.27 0.69 -3.67 -3.53 -1.04 -0.80 -4.85 114.28 99.82 2nxz n THR 3091Ca 0.14 -0.21 -0.03 0.00 -2.04 0.00 0.00 64.05 61.91 2nxz n THR 3091Cb 0.22 -2.38 -0.01 0.00 -1.82 0.00 0.00 70.33 66.34 2nxz n THR 3091CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nxz s ALA 3092N 5.27 -1.85 -0.09 2.41 0.00 -0.79 -4.46 121.76 122.25 2nxz s ALA 3092Ca 0.91 0.51 -0.20 0.00 0.00 0.00 0.00 51.96 53.18 2nxz s ALA 3092Cb -0.41 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2nxz s ALA 3092CO 0.41 -0.95 0.58 0.08 0.00 0.00 0.00 175.76 175.87 2nxz s VAL 3093N -3.00 5.11 -0.24 0.00 1.01 -0.32 -1.25 120.40 121.71 2nxz s VAL 3093Ca 0.11 1.18 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 2nxz s VAL 3093Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2nxz s VAL 3093CO -0.02 0.30 0.09 -0.31 0.00 0.00 0.00 175.10 175.16 2nxz s TYR 3094N 0.62 3.13 -0.14 5.22 2.02 0.42 -0.59 117.35 128.04 2nxz s TYR 3094Ca 0.31 -0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 56.71 2nxz s TYR 3094Cb -0.16 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.13 2nxz s TYR 3094CO 0.14 -0.25 -0.01 -0.06 -1.57 0.00 0.00 175.55 173.80 2nxz s PHE 3095N 1.44 3.09 0.00 2.71 0.08 0.18 -1.00 117.98 124.49 2nxz s PHE 3095Ca 0.06 -0.09 -0.16 0.00 0.12 0.00 0.00 56.93 56.86 2nxz s PHE 3095Cb -0.15 -1.92 -0.06 0.00 -0.57 0.00 0.00 43.02 40.33 2nxz s PHE 3095CO 0.04 0.15 0.44 0.00 -0.10 0.00 0.00 175.22 175.75 2nxz s ALA 3097N -0.93 0.78 0.22 0.00 0.00 -0.11 0.09 121.76 121.82 2nxz s ALA 3097Ca 0.25 -1.42 -0.22 0.00 0.00 0.00 0.00 51.96 50.56 2nxz s ALA 3097Cb -0.17 0.95 0.04 0.00 0.00 0.00 0.00 23.12 23.94 2nxz s ALA 3097CO 0.14 -0.53 0.70 0.20 0.00 0.00 0.00 175.76 176.27 2nxz s GLY 3098N -3.05 -0.30 -0.11 0.00 0.00 0.34 -1.16 107.32 103.04 2nxz s GLY 3098Ca 0.25 0.04 -0.18 0.00 0.00 0.00 0.00 44.72 44.84 2nxz s GLY 3098CO 0.03 0.02 0.45 0.54 0.00 0.00 0.00 173.10 174.14 2nxz s VAL 3099N -3.79 0.02 0.20 1.40 0.11 -0.86 -1.67 120.40 115.81 2nxz s VAL 3099Ca 0.07 -0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 2nxz s VAL 3099Cb -0.04 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 34.04 2nxz s VAL 3099CO -0.01 -0.08 1.27 -0.47 -3.33 0.00 0.00 175.10 172.49 2nxz s TYR 3100N -0.40 3.31 -0.65 1.54 5.04 -1.26 -1.91 117.35 123.01 2nxz s TYR 3100Ca -0.05 1.29 0.09 0.00 -2.44 0.00 0.00 57.07 55.96 2nxz s TYR 3100Cb -0.03 -3.55 -0.04 0.00 0.35 0.00 0.00 41.96 38.69 2nxz s TYR 3100CO 0.03 -1.66 0.50 0.39 -1.34 0.00 0.00 175.55 173.47 2nxz n GLU 3101N 2.54 3.00 0.00 4.97 -0.58 0.44 -4.83 120.64 126.18 2nxz n GLU 3101Ca 0.05 -0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 2nxz n GLU 3101Cb 0.43 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 2nxz n GLU 3101CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nxz n GLY 3102N 1.00 -0.79 3.18 0.62 0.00 -1.26 -1.29 105.19 106.65 2nxz n GLY 3102Ca 0.03 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 2nxz n GLY 3102CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nxz n GLU 3103N -0.11 2.32 0.11 1.61 1.02 -1.25 -4.71 120.64 119.62 2nxz n GLU 3103Ca 0.00 -2.51 0.05 0.00 -0.02 0.00 0.00 57.16 54.67 2nxz n GLU 3103Cb 0.00 -3.31 0.47 0.00 -0.02 0.00 0.00 31.44 28.58 2nxz n GLU 3103CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nxz h ALA 3104N 7.55 1.72 0.00 0.62 0.00 -1.79 0.11 119.26 127.48 2nxz h ALA 3104Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2nxz h ALA 3104Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2nxz h ALA 3104CO 1.70 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 180.77 2nxz n ASP 3105N -4.43 0.69 -0.92 0.00 5.75 -1.26 -1.55 116.55 114.83 2nxz n ASP 3105Ca 0.00 0.67 0.08 0.00 -0.01 0.00 0.00 54.79 55.54 2nxz n ASP 3105Cb 0.13 -0.82 0.26 0.00 -1.03 0.00 0.00 41.12 39.66 2nxz n ASP 3105CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2nxz n GLU 3106N -2.27 2.92 -0.99 0.11 -0.58 0.32 -4.97 120.64 115.19 2nxz n GLU 3106Ca 0.02 -2.86 0.00 0.00 -0.42 0.00 0.00 57.16 53.90 2nxz n GLU 3106Cb 0.23 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 2nxz n GLU 3106CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nxz n GLY 3107N -0.51 0.70 3.68 0.62 0.00 -0.60 -5.01 105.19 104.07 2nxz n GLY 3107Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2nxz n GLY 3107CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nxz s GLU 3108N -0.09 4.30 -0.21 1.61 2.12 -0.81 -4.96 118.70 120.65 2nxz s GLU 3108Ca 0.00 0.87 -0.05 0.00 0.36 0.00 0.00 54.97 56.15 2nxz s GLU 3108Cb 0.00 -3.55 0.11 0.00 0.26 0.00 0.00 34.13 30.95 2nxz s GLU 3108CO 0.00 -0.22 0.38 -0.47 -0.54 0.00 0.00 175.26 174.41 2nxz s TYR 3109N 1.81 -0.76 -0.56 5.30 6.14 -1.26 -2.65 117.35 125.38 2nxz s TYR 3109Ca 0.35 1.15 0.24 0.00 0.64 0.00 0.00 57.07 59.45 2nxz s TYR 3109Cb -0.17 0.13 0.36 0.00 0.42 0.00 0.00 41.96 42.70 2nxz s TYR 3109CO 0.13 -0.57 1.38 -0.44 0.64 0.00 0.00 175.55 176.69 2nxz h ASP 3110N 8.19 0.00 -6.14 4.32 3.32 -1.56 -3.48 116.42 121.07 2nxz h ASP 3110Ca -0.17 -0.12 -0.41 0.00 0.02 0.00 0.00 57.03 56.35 2nxz h ASP 3110Cb 1.13 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.76 2nxz h ASP 3110CO 0.19 0.06 -0.91 -3.20 -1.72 0.00 0.00 179.24 173.66 2nxz n ASN 3111N -2.35 -4.35 -4.72 6.45 5.15 -1.26 -4.93 115.26 109.25 2nxz n ASN 3111Ca 0.03 -0.95 -0.42 0.00 -0.60 0.00 0.00 54.58 52.64 2nxz n ASN 3111Cb 0.47 -3.67 -0.03 0.00 -0.53 0.00 0.00 39.78 36.02 2nxz n ASN 3111CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2nxz s ASN 3112N -3.69 7.07 0.00 1.20 0.01 -1.26 -4.95 114.94 113.33 2nxz s ASN 3112Ca 0.35 2.11 0.22 0.00 -0.71 0.00 0.00 52.86 54.83 2nxz s ASN 3112Cb -0.11 -2.59 -0.13 0.00 0.41 0.00 0.00 41.25 38.82 2nxz s ASN 3112CO 0.84 -0.44 0.93 0.61 -1.51 0.00 0.00 177.10 177.53 2nxz n GLY 3113N 2.88 -1.04 3.91 0.66 0.00 -1.26 -4.96 105.19 105.38 2nxz n GLY 3113Ca 0.07 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 2nxz n GLY 3113CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nxz s PHE 3114N -3.06 3.01 -0.25 1.61 -0.71 -1.26 -5.08 117.98 112.25 2nxz s PHE 3114Ca 0.07 0.64 -0.00 0.00 -1.04 0.00 0.00 56.93 56.59 2nxz s PHE 3114Cb 0.16 -3.24 0.07 0.00 -1.21 0.00 0.00 43.02 38.80 2nxz s PHE 3114CO 0.85 -1.45 0.01 -0.51 -1.34 0.00 0.00 175.22 172.78 2nxz s LEU 3115N -5.35 2.29 -0.16 -1.99 1.43 -1.26 -4.65 118.68 108.99 2nxz s LEU 3115Ca 0.60 -1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.26 2nxz s LEU 3115Cb -0.11 -0.99 -0.23 0.00 0.03 0.00 0.00 46.19 44.89 2nxz s LEU 3115CO 0.47 -0.30 0.39 0.50 0.23 0.00 0.00 176.35 177.64 2nxz h LYS 3116N 8.03 0.09 -5.59 1.70 1.63 -1.82 -3.47 116.57 117.14 2nxz h LYS 3116Ca -0.16 -0.16 -0.65 0.00 -0.85 0.00 0.00 60.65 58.84 2nxz h LYS 3116Cb 1.07 0.06 -0.16 0.00 -0.60 0.00 0.00 32.23 32.60 2nxz h LYS 3116CO 0.41 1.07 -0.59 -1.01 -3.45 0.00 0.00 179.45 175.88 2nxz s HIS 3117N -2.40 3.22 0.01 1.91 3.76 -0.67 -4.97 115.29 116.16 2nxz s HIS 3117Ca -0.25 0.11 0.05 0.00 -0.15 0.00 0.00 55.06 54.82 2nxz s HIS 3117Cb 0.04 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 2nxz s HIS 3117CO 0.67 0.31 -0.16 -1.58 -0.85 0.00 0.00 174.74 173.12 2nxz s TRP 3118N -0.27 1.42 0.92 1.40 0.52 -1.26 -0.50 118.94 121.17 2nxz s TRP 3118Ca 0.07 -0.31 -0.13 0.00 0.02 0.00 0.00 56.10 55.74 2nxz s TRP 3118Cb -0.12 -0.88 0.15 0.00 -1.15 0.00 0.00 33.47 31.47 2nxz s TRP 3118CO 0.02 0.02 1.18 0.20 0.02 0.00 0.00 176.95 178.38 2nxz s GLY 3119N -0.76 1.62 0.00 0.98 0.00 0.11 -4.54 107.32 104.73 2nxz s GLY 3119Ca 0.05 -0.71 0.22 0.00 0.00 0.00 0.00 44.72 44.28 2nxz s GLY 3119CO 0.00 -0.11 1.73 0.61 0.00 0.00 0.00 173.10 175.33 2nxz n GLN 3120N -3.74 0.11 0.00 2.90 0.00 -1.25 -4.78 117.38 110.62 2nxz n GLN 3120Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 57.00 57.19 2nxz n GLN 3120Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 2nxz n GLN 3120CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nxz n GLY 3121N 0.75 -0.57 2.93 2.61 0.00 -1.26 -5.03 105.19 104.62 2nxz n GLY 3121Ca 0.07 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 2nxz n GLY 3121CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxz s THR 3122N -2.82 1.11 -0.05 2.61 2.01 -0.17 -4.91 115.64 113.42 2nxz s THR 3122Ca 0.00 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 2nxz s THR 3122Cb 0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 2nxz s THR 3122CO 0.00 0.38 1.27 -0.22 -0.69 0.00 0.00 174.62 175.36 2nxz s LEU 3123N 1.58 4.28 -0.26 4.42 2.96 -1.26 -0.44 118.68 129.96 2nxz s LEU 3123Ca 0.03 1.90 0.02 0.00 -0.22 0.00 0.00 54.13 55.85 2nxz s LEU 3123Cb -0.13 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.06 2nxz s LEU 3123CO -0.07 -0.64 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.53 2nxz s VAL 3124N 2.40 2.37 -0.26 1.68 1.01 -0.38 -0.33 120.40 126.90 2nxz s VAL 3124Ca 0.58 -1.53 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 2nxz s VAL 3124Cb -0.26 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2nxz s VAL 3124CO 0.23 -0.01 0.23 -0.89 0.00 0.00 0.00 175.10 174.65 2nxz s THR 3125N 1.15 5.29 -0.28 3.92 2.01 -0.43 -1.89 115.64 125.41 2nxz s THR 3125Ca -0.07 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 2nxz s THR 3125Cb -0.20 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.78 2nxz s THR 3125CO -0.04 0.26 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.46 2nxz s VAL 3126N 1.55 3.17 0.04 3.82 1.01 -1.26 -0.69 120.40 128.04 2nxz s VAL 3126Ca 0.10 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 60.71 2nxz s VAL 3126Cb -0.15 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.61 2nxz s VAL 3126CO 0.08 0.05 0.68 -0.55 0.00 0.00 0.00 175.10 175.37 2nxz s SER 3127N 1.34 -0.58 0.00 3.32 0.15 -0.39 -4.35 113.70 113.19 2nxz s SER 3127Ca -0.01 0.32 0.24 0.00 0.70 0.00 0.00 55.95 57.20 2nxz s SER 3127Cb -0.18 0.54 1.04 0.00 -1.71 0.00 0.00 66.02 65.71 2nxz s SER 3127CO -0.02 -0.75 1.78 -1.54 1.20 0.00 0.00 173.24 173.91 2nxz n SER 3128N 0.22 0.00 -4.79 5.45 3.41 -1.26 -4.10 113.62 112.55 2nxz n SER 3128Ca -0.17 0.50 -0.33 0.00 -0.26 0.00 0.00 58.87 58.61 2nxz n SER 3128Cb 0.61 -0.50 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 2nxz n SER 3128CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nxz s ALA 3129N -3.00 2.60 0.08 7.33 0.00 -1.26 -5.05 121.76 122.46 2nxz s ALA 3129Ca 0.12 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.53 2nxz s ALA 3129Cb 0.16 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2nxz s ALA 3129CO 0.45 -1.08 0.16 -1.12 0.00 0.00 0.00 175.76 174.16 2nxz s SER 3130N -2.80 5.96 0.27 0.00 0.01 -1.26 -5.00 113.70 110.89 2nxz s SER 3130Ca 0.64 0.13 -0.31 0.00 1.31 0.00 0.00 55.95 57.72 2nxz s SER 3130Cb -0.18 -1.73 -0.12 0.00 0.21 0.00 0.00 66.02 64.21 2nxz s SER 3130CO 0.41 0.16 1.62 0.41 0.41 0.00 0.00 173.24 176.25 2nxz n THR 3131N 0.28 0.74 -3.59 1.44 -1.04 -1.26 -4.71 114.28 106.14 2nxz n THR 3131Ca -0.07 -0.19 -0.15 0.00 -2.04 0.00 0.00 64.05 61.61 2nxz n THR 3131Cb 0.52 -1.94 -0.07 0.00 -1.82 0.00 0.00 70.33 67.02 2nxz n THR 3131CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2nxz s LYS 3132N -0.05 0.89 0.69 -2.82 -2.85 0.02 -4.95 119.74 110.67 2nxz s LYS 3132Ca 0.67 0.64 -0.11 0.00 -1.00 0.00 0.00 55.97 56.17 2nxz s LYS 3132Cb -0.51 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 35.69 2nxz s LYS 3132CO 0.44 -0.19 1.06 0.20 0.10 0.00 0.00 175.35 176.96 2nxz s GLY 3133N -0.32 1.65 0.56 0.59 0.00 -1.26 -1.39 107.32 107.15 2nxz s GLY 3133Ca -0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 44.72 44.45 2nxz s GLY 3133CO 0.04 0.26 1.03 2.56 0.00 0.00 0.00 173.10 176.99 2nxz s PRO 3134N -5.14 3.55 -0.09 2.90 0.04 -1.26 -4.53 135.00 130.46 2nxz s PRO 3134Ca 0.58 1.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 2nxz s PRO 3134Cb -0.13 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2nxz s PRO 3134CO 0.54 -0.62 0.49 -1.12 0.04 0.00 0.00 177.00 176.34 2nxz s SER 3135N -2.82 6.74 -0.26 6.66 0.01 0.76 -4.87 113.70 119.92 2nxz s SER 3135Ca 0.62 0.88 -0.03 0.00 1.31 0.00 0.00 55.95 58.73 2nxz s SER 3135Cb -0.14 -2.29 0.02 0.00 0.21 0.00 0.00 66.02 63.82 2nxz s SER 3135CO 0.34 0.04 -0.02 -0.69 0.41 0.00 0.00 173.24 173.32 2nxz s VAL 3136N 0.36 3.18 0.11 3.43 1.01 -1.26 0.00 120.40 127.23 2nxz s VAL 3136Ca 0.27 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2nxz s VAL 3136Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2nxz s VAL 3136CO 0.12 0.16 -0.09 -0.36 0.00 0.00 0.00 175.10 174.93 2nxz s PHE 3137N 1.37 2.75 0.34 5.22 0.08 0.36 -4.95 117.98 123.16 2nxz s PHE 3137Ca 0.01 -0.15 -0.26 0.00 0.12 0.00 0.00 56.93 56.65 2nxz s PHE 3137Cb -0.17 -1.43 -0.10 0.00 -0.57 0.00 0.00 43.02 40.76 2nxz s PHE 3137CO -0.02 0.44 0.98 -1.25 -0.10 0.00 0.00 175.22 175.27 2nxz s PRO 3138N -2.29 4.48 -0.82 0.24 0.04 -1.26 -0.56 135.00 134.83 2nxz s PRO 3138Ca 0.22 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.63 2nxz s PRO 3138Cb -0.11 -2.75 0.20 0.00 0.04 0.00 0.00 34.50 31.89 2nxz s PRO 3138CO 0.14 0.16 0.69 -0.51 0.04 0.00 0.00 177.00 177.53 2nxz s LEU 3139N -2.18 5.59 0.29 -3.56 1.43 0.12 -4.76 118.68 115.62 2nxz s LEU 3139Ca 0.52 -3.37 -0.29 0.00 -1.03 0.00 0.00 54.13 49.96 2nxz s LEU 3139Cb -0.20 -1.93 -0.10 0.00 0.03 0.00 0.00 46.19 43.99 2nxz s LEU 3139CO 0.26 -0.28 1.30 0.00 0.23 0.00 0.00 176.35 177.86 2nxz s ALA 3140N -0.83 3.50 1.00 4.21 0.00 -1.26 -1.26 121.76 127.12 2nxz s ALA 3140Ca 0.24 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2nxz s ALA 3140Cb -0.12 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2nxz s ALA 3140CO -0.09 -0.58 0.00 -0.35 0.00 0.00 0.00 175.76 174.74 2nxz n PRO 3141N 1.31 -0.30 -0.05 0.00 -0.04 -1.26 -4.87 135.00 129.79 2nxz n PRO 3141Ca 0.02 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 2nxz n PRO 3141Cb 0.42 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 33.97 2nxz n PRO 3141CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nxz n GLY 3149N 1.80 -0.14 3.23 0.55 0.00 -1.26 -4.00 105.19 105.36 2nxz n GLY 3149Ca 0.00 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2nxz n GLY 3149CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nxz s THR 3150N -4.38 1.56 0.10 2.61 -4.23 -1.26 -2.15 115.64 107.89 2nxz s THR 3150Ca -0.02 -1.13 0.10 0.00 -1.18 0.00 0.00 61.69 59.47 2nxz s THR 3150Cb 0.05 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 2nxz s THR 3150CO 0.13 0.20 -0.26 0.00 -0.54 0.00 0.00 174.62 174.15 2nxz s ALA 3151N -0.77 2.36 -0.10 3.99 0.00 0.24 -4.74 121.76 122.74 2nxz s ALA 3151Ca 0.07 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 2nxz s ALA 3151Cb -0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2nxz s ALA 3151CO 0.01 0.54 -0.05 0.00 0.00 0.00 0.00 175.76 176.26 2nxz s ALA 3152N -0.97 3.02 0.28 0.00 0.00 -1.26 -0.47 121.76 122.35 2nxz s ALA 3152Ca 0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 2nxz s ALA 3152Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 2nxz s ALA 3152CO 0.05 0.47 0.35 -0.48 0.00 0.00 0.00 175.76 176.15 2nxz s LEU 3153N -0.48 0.98 0.00 0.00 0.05 -0.68 -4.05 118.68 114.51 2nxz s LEU 3153Ca 0.07 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 52.89 2nxz s LEU 3153Cb -0.12 1.11 0.00 0.00 -2.05 0.00 0.00 46.19 45.13 2nxz s LEU 3153CO 0.02 -1.10 0.00 0.61 -0.55 0.00 0.00 176.35 175.33 2nxz n GLY 3154N -0.45 -1.18 2.97 -3.48 0.00 -0.39 -0.78 105.19 101.88 2nxz n GLY 3154Ca 0.02 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 2nxz n GLY 3154CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxz s LEU 3156N 0.33 4.12 -0.38 0.00 2.96 0.28 -1.41 118.68 124.58 2nxz s LEU 3156Ca -0.05 0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 54.29 2nxz s LEU 3156Cb -0.09 -2.51 0.09 0.00 0.50 0.00 0.00 46.19 44.17 2nxz s LEU 3156CO 0.00 -0.12 0.16 -0.69 -1.32 0.00 0.00 176.35 174.39 2nxz s VAL 3157N 1.56 3.46 0.03 1.68 1.01 0.15 -0.49 120.40 127.80 2nxz s VAL 3157Ca 0.18 -1.70 0.08 0.00 0.00 0.00 0.00 61.98 60.54 2nxz s VAL 3157Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2nxz s VAL 3157CO 0.08 -0.49 -0.24 -0.75 0.00 0.00 0.00 175.10 173.71 2nxz s LYS 3158N 1.24 1.70 -0.83 2.72 2.20 0.10 -0.61 119.74 126.27 2nxz s LYS 3158Ca 0.03 -0.99 -0.02 0.00 -0.36 0.00 0.00 55.97 54.63 2nxz s LYS 3158Cb -0.22 -1.80 -0.03 0.00 -1.51 0.00 0.00 37.83 34.27 2nxz s LYS 3158CO -0.02 0.47 0.71 -0.25 -0.36 0.00 0.00 175.35 175.90 2nxz n ASP 3159N 1.99 -3.83 -4.51 1.43 8.00 -0.00 -0.17 116.55 119.46 2nxz n ASP 3159Ca -0.17 -0.49 -0.24 0.00 0.71 0.00 0.00 54.79 54.60 2nxz n ASP 3159Cb 0.52 -3.96 -0.10 0.00 -0.02 0.00 0.00 41.12 37.57 2nxz n ASP 3159CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2nxz s TYR 3160N -3.28 2.37 -0.27 1.24 -0.85 -0.85 -4.43 117.35 111.28 2nxz s TYR 3160Ca 0.18 -0.33 -0.23 0.00 -0.52 0.00 0.00 57.07 56.17 2nxz s TYR 3160Cb -0.02 -1.08 0.07 0.00 0.38 0.00 0.00 41.96 41.31 2nxz s TYR 3160CO 0.54 0.68 0.70 0.12 -1.52 0.00 0.00 175.55 176.08 2nxz s PHE 3161N -2.49 -0.84 0.01 -3.49 5.36 -0.49 -0.12 117.98 115.91 2nxz s PHE 3161Ca 0.31 1.95 -0.00 0.00 -0.96 0.00 0.00 56.93 58.23 2nxz s PHE 3161Cb -0.04 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 2nxz s PHE 3161CO 0.16 -0.41 0.01 -0.35 -1.46 0.00 0.00 175.22 173.17 2nxz n PRO 3162N 3.07 0.61 -1.44 10.12 -0.04 -1.26 -0.80 135.00 145.27 2nxz n PRO 3162Ca -0.15 -0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 62.94 2nxz n PRO 3162Cb 0.56 -0.01 0.08 0.00 -0.04 0.00 0.00 33.50 34.09 2nxz n PRO 3162CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2nxz s GLU 3163N -2.41 2.30 0.42 0.54 0.41 -1.26 -4.69 118.70 114.01 2nxz s GLU 3163Ca 0.01 1.45 0.06 0.00 -0.41 0.00 0.00 54.97 56.08 2nxz s GLU 3163Cb -0.00 -1.88 0.01 0.00 -1.78 0.00 0.00 34.13 30.47 2nxz s GLU 3163CO 0.01 -1.65 0.59 -1.25 -0.49 0.00 0.00 175.26 172.46 2nxz s PRO 3164N -4.30 2.87 0.07 0.39 0.04 -1.26 -4.97 135.00 127.85 2nxz s PRO 3164Ca 0.67 -1.05 0.09 0.00 0.04 0.00 0.00 61.00 60.75 2nxz s PRO 3164Cb -0.22 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 2nxz s PRO 3164CO 0.48 -0.26 -0.25 0.54 0.04 0.00 0.00 177.00 177.55 2nxz s VAL 3165N -2.39 2.05 0.02 -0.36 0.11 -1.26 -4.47 120.40 114.09 2nxz s VAL 3165Ca 0.52 -1.48 0.08 0.00 -2.93 0.00 0.00 61.98 58.18 2nxz s VAL 3165Cb -0.10 -1.78 -0.02 0.00 -1.53 0.00 0.00 36.38 32.95 2nxz s VAL 3165CO 0.34 0.22 -0.25 0.28 -3.33 0.00 0.00 175.10 172.36 2nxz s THR 3166N -0.91 1.96 -0.04 5.04 -1.32 0.09 -4.99 115.64 115.48 2nxz s THR 3166Ca 0.11 -1.22 0.02 0.00 -1.21 0.00 0.00 61.69 59.40 2nxz s THR 3166Cb -0.10 -1.66 0.01 0.00 -1.51 0.00 0.00 72.50 69.24 2nxz s THR 3166CO 0.03 0.41 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.07 2nxz s VAL 3167N -0.71 0.85 0.29 5.08 1.01 -1.26 -0.96 120.40 124.70 2nxz s VAL 3167Ca 0.10 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2nxz s VAL 3167Cb -0.09 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 2nxz s VAL 3167CO 0.01 0.28 0.03 -0.94 0.00 0.00 0.00 175.10 174.48 2nxz s SER 3168N 0.52 2.16 -0.07 3.32 1.04 -0.47 -4.98 113.70 115.21 2nxz s SER 3168Ca -0.09 -1.32 0.05 0.00 0.48 0.00 0.00 55.95 55.08 2nxz s SER 3168Cb -0.12 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 2nxz s SER 3168CO 0.01 -0.56 -0.23 0.26 0.98 0.00 0.00 173.24 173.70 2nxz s TRP 3169N -3.34 2.28 -1.59 5.02 0.52 -1.26 -0.03 118.94 120.54 2nxz s TRP 3169Ca 0.34 -0.75 -0.15 0.00 0.02 0.00 0.00 56.10 55.56 2nxz s TRP 3169Cb 0.07 -1.52 0.11 0.00 -1.15 0.00 0.00 33.47 30.98 2nxz s TRP 3169CO 0.13 -0.26 0.89 0.09 0.02 0.00 0.00 176.95 177.82 2nxz n ASN 3170N 3.17 -4.05 -2.43 2.95 3.02 0.64 -1.59 115.26 116.97 2nxz n ASN 3170Ca -0.18 -0.87 -0.20 0.00 -0.03 0.00 0.00 54.58 53.29 2nxz n ASN 3170Cb 0.52 -3.46 -0.00 0.00 -0.61 0.00 0.00 39.78 36.23 2nxz n ASN 3170CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2nxz n SER 3171N -2.78 -5.82 0.00 6.41 7.64 -1.26 -2.10 113.62 115.71 2nxz n SER 3171Ca 0.03 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2nxz n SER 3171Cb 0.52 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 2nxz n SER 3171CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nxz n GLY 3172N -1.12 0.31 0.16 0.23 0.00 -0.62 -4.93 105.19 99.22 2nxz n GLY 3172Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2nxz n GLY 3172CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxz h ALA 3173N 0.00 1.00 -3.53 4.61 0.00 -1.32 -3.42 119.26 116.60 2nxz h ALA 3173Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2nxz h ALA 3173Cb 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.41 2nxz h ALA 3173CO 0.00 0.00 -0.79 -1.17 0.00 0.00 0.00 179.25 177.29 2nxz s LEU 3174N -5.08 2.29 0.00 0.00 2.96 -0.98 -4.95 118.68 112.93 2nxz s LEU 3174Ca 0.06 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 2nxz s LEU 3174Cb 0.10 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.67 2nxz s LEU 3174CO 0.53 -0.21 0.00 0.35 -1.32 0.00 0.00 176.35 175.70 2nxz n THR 3175N 4.73 0.00 -1.93 3.68 -2.24 -1.26 -4.03 114.28 113.21 2nxz n THR 3175Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2nxz n THR 3175Cb 0.45 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 2nxz n THR 3175CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2nxz s SER 3176N -2.70 6.60 0.00 3.42 0.15 -1.26 -2.46 113.70 117.45 2nxz s SER 3176Ca 0.00 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.19 2nxz s SER 3176Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2nxz s SER 3176CO 0.00 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.20 2nxz n GLY 3177N 3.87 0.95 3.73 9.45 0.00 -1.26 -4.80 105.19 117.14 2nxz n GLY 3177Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2nxz n GLY 3177CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nxz s VAL 3178N -2.89 4.60 -0.21 1.61 1.01 -1.03 -2.78 120.40 120.70 2nxz s VAL 3178Ca 0.00 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 2nxz s VAL 3178Cb 0.00 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.19 2nxz s VAL 3178CO 0.00 0.33 -0.01 -1.00 0.00 0.00 0.00 175.10 174.42 2nxz s HIS 3179N -0.00 1.69 -0.36 5.22 3.76 0.10 -4.98 115.29 120.72 2nxz s HIS 3179Ca 0.44 -1.29 -0.12 0.00 -0.15 0.00 0.00 55.06 53.94 2nxz s HIS 3179Cb -0.22 -1.29 0.00 0.00 1.11 0.00 0.00 32.58 32.18 2nxz s HIS 3179CO 0.27 -0.69 0.23 0.99 -0.85 0.00 0.00 174.74 174.69 2nxz s THR 3180N 1.63 4.95 0.45 1.30 2.01 -1.26 -0.53 115.64 124.19 2nxz s THR 3180Ca -0.03 -0.52 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 2nxz s THR 3180Cb -0.18 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 2nxz s THR 3180CO -0.07 -0.12 1.03 -0.36 -0.69 0.00 0.00 174.62 174.41 2nxz s PHE 3181N 1.65 3.14 0.47 4.92 0.40 -0.31 -5.00 117.98 123.24 2nxz s PHE 3181Ca 0.05 1.61 -0.24 0.00 -0.60 0.00 0.00 56.93 57.75 2nxz s PHE 3181Cb -0.18 -3.05 -0.08 0.00 0.51 0.00 0.00 43.02 40.21 2nxz s PHE 3181CO 0.08 -0.65 1.18 -2.30 0.70 0.00 0.00 175.22 174.23 2nxz n PRO 3182N -0.61 1.60 -2.14 0.24 -0.02 -1.26 -4.62 135.00 128.18 2nxz n PRO 3182Ca 0.07 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 2nxz n PRO 3182Cb 0.52 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.71 2nxz n PRO 3182CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nxz s ALA 3183N -1.28 2.76 0.14 3.55 0.00 -1.26 -4.84 121.76 120.82 2nxz s ALA 3183Ca 0.65 0.96 0.06 0.00 0.00 0.00 0.00 51.96 53.63 2nxz s ALA 3183Cb -0.49 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 2nxz s ALA 3183CO 0.55 -0.90 0.02 0.14 0.00 0.00 0.00 175.76 175.57 2nxz s VAL 3184N -1.60 3.98 -0.28 0.00 -7.23 -0.26 -4.94 120.40 110.06 2nxz s VAL 3184Ca 0.71 -1.18 -0.16 0.00 -1.81 0.00 0.00 61.98 59.54 2nxz s VAL 3184Cb -0.29 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.66 2nxz s VAL 3184CO 0.33 -0.01 0.41 -0.22 -0.31 0.00 0.00 175.10 175.30 2nxz s LEU 3185N -2.70 4.11 0.61 1.32 2.96 -1.26 -1.72 118.68 122.00 2nxz s LEU 3185Ca 0.27 0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 54.33 2nxz s LEU 3185Cb -0.10 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 2nxz s LEU 3185CO 0.19 -0.25 1.00 -1.10 -1.32 0.00 0.00 176.35 174.87 2nxz s GLN 3186N 2.14 3.40 0.28 1.98 -0.21 -0.34 -4.95 119.66 121.97 2nxz s GLN 3186Ca 0.16 0.56 0.22 0.00 0.02 0.00 0.00 55.36 56.32 2nxz s GLN 3186Cb -0.16 -2.13 1.05 0.00 1.00 0.00 0.00 33.01 32.78 2nxz s GLN 3186CO 0.10 -0.61 1.66 -1.13 -2.12 0.00 0.00 175.29 173.19 2nxz n SER 3187N -2.71 0.59 0.00 5.90 3.41 -1.26 -0.66 113.62 118.88 2nxz n SER 3187Ca 0.05 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 2nxz n SER 3187Cb 0.55 -0.81 0.59 0.00 -0.26 0.00 0.00 64.21 64.28 2nxz n SER 3187CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2nxz n SER 3188N -2.22 0.00 0.00 4.04 3.41 -1.26 -4.90 113.62 112.69 2nxz n SER 3188Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2nxz n SER 3188Cb 0.12 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2nxz n SER 3188CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nxz n GLY 3189N 1.15 0.76 3.79 5.00 0.00 0.17 -4.99 105.19 111.07 2nxz n GLY 3189Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2nxz n GLY 3189CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nxz s LEU 3190N 0.00 3.84 0.36 0.99 1.43 -1.25 -4.85 118.68 119.19 2nxz s LEU 3190Ca 0.00 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2nxz s LEU 3190Cb 0.00 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 2nxz s LEU 3190CO 0.00 0.13 0.66 -0.31 0.23 0.00 0.00 176.35 177.07 2nxz s TYR 3191N -1.53 3.49 -0.04 0.29 2.02 0.82 -1.20 117.35 121.20 2nxz s TYR 3191Ca 0.30 0.78 -0.06 0.00 -0.37 0.00 0.00 57.07 57.72 2nxz s TYR 3191Cb -0.11 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.22 2nxz s TYR 3191CO 0.23 0.00 0.16 0.45 -1.57 0.00 0.00 175.55 174.82 2nxz s SER 3192N -3.39 -0.11 0.16 2.29 0.15 -0.70 -0.82 113.70 111.28 2nxz s SER 3192Ca 0.47 0.16 -0.10 0.00 0.70 0.00 0.00 55.95 57.18 2nxz s SER 3192Cb -0.10 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2nxz s SER 3192CO 0.33 -0.16 0.31 -1.48 1.20 0.00 0.00 173.24 173.44 2nxz s LEU 3193N -0.38 0.87 0.07 3.45 0.05 0.22 -1.10 118.68 121.86 2nxz s LEU 3193Ca -0.05 -0.81 0.09 0.00 0.05 0.00 0.00 54.13 53.41 2nxz s LEU 3193Cb -0.03 1.30 -0.03 0.00 -2.05 0.00 0.00 46.19 45.38 2nxz s LEU 3193CO 0.01 -0.90 -0.22 -0.44 -0.55 0.00 0.00 176.35 174.24 2nxz s SER 3194N -2.95 3.54 -0.13 1.48 0.01 -1.26 0.35 113.70 114.73 2nxz s SER 3194Ca 0.15 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2nxz s SER 3194Cb 0.03 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2nxz s SER 3194CO -0.01 0.23 -0.20 -0.55 0.41 0.00 0.00 173.24 173.12 2nxz s SER 3195N -1.58 3.30 0.26 2.44 0.15 -0.50 -1.16 113.70 116.61 2nxz s SER 3195Ca 0.14 -0.55 0.10 0.00 0.70 0.00 0.00 55.95 56.34 2nxz s SER 3195Cb -0.10 -1.48 -0.05 0.00 -1.71 0.00 0.00 66.02 62.68 2nxz s SER 3195CO 0.05 0.10 -0.15 0.68 1.20 0.00 0.00 173.24 175.12 2nxz s VAL 3196N 0.69 2.10 -0.14 4.45 -7.23 0.31 -0.95 120.40 119.64 2nxz s VAL 3196Ca -0.09 -2.28 -0.11 0.00 -1.81 0.00 0.00 61.98 57.68 2nxz s VAL 3196Cb -0.16 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.54 2nxz s VAL 3196CO 0.01 -0.42 0.36 0.54 -0.31 0.00 0.00 175.10 175.27 2nxz s VAL 3197N -2.74 -0.01 -0.19 1.32 0.11 0.04 0.03 120.40 118.96 2nxz s VAL 3197Ca 0.28 0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 59.28 2nxz s VAL 3197Cb -0.02 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2nxz s VAL 3197CO 0.12 0.01 0.09 0.42 -3.33 0.00 0.00 175.10 172.41 2nxz s THR 3198N 0.51 5.04 0.16 5.04 -4.23 -1.12 -1.68 115.64 119.36 2nxz s THR 3198Ca -0.03 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2nxz s THR 3198Cb -0.04 -3.28 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 2nxz s THR 3198CO -0.03 0.46 -0.03 0.68 -0.54 0.00 0.00 174.62 175.16 2nxz s VAL 3199N 0.31 0.79 0.32 2.29 -7.23 0.38 -4.73 120.40 112.53 2nxz s VAL 3199Ca 0.05 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 2nxz s VAL 3199Cb -0.12 -2.00 -0.12 0.00 0.56 0.00 0.00 36.38 34.71 2nxz s VAL 3199CO -0.01 -0.59 1.54 -2.65 -0.31 0.00 0.00 175.10 173.08 2nxz n PRO 3200N -0.21 2.63 0.28 4.82 -0.02 -1.26 0.80 135.00 142.04 2nxz n PRO 3200Ca -0.08 0.93 0.17 0.00 -2.02 0.00 0.00 63.50 62.50 2nxz n PRO 3200Cb 0.62 -2.68 0.74 0.00 -0.02 0.00 0.00 33.50 32.16 2nxz n PRO 3200CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2nxz h SER 3201N 4.04 0.00 0.78 2.55 4.64 -1.72 -1.49 113.55 122.34 2nxz h SER 3201Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2nxz h SER 3201Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2nxz h SER 3201CO 0.73 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.19 2nxz n SER 3202N -3.18 0.06 0.01 4.97 3.41 -1.26 -2.99 113.62 114.63 2nxz n SER 3202Ca -0.00 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 2nxz n SER 3202Cb 0.28 -0.52 0.23 0.00 -0.26 0.00 0.00 64.21 63.94 2nxz n SER 3202CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2nxz n SER 3203N -1.56 0.53 -4.78 4.04 2.88 -0.56 -4.76 113.62 109.41 2nxz n SER 3203Ca 0.05 -0.22 -0.35 0.00 -1.33 0.00 0.00 58.87 57.02 2nxz n SER 3203Cb 0.26 0.28 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 2nxz n SER 3203CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2nxz s LEU 3204N -3.18 3.84 0.00 2.46 1.43 -1.16 -0.81 118.68 121.27 2nxz s LEU 3204Ca 0.10 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 2nxz s LEU 3204Cb 0.17 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.89 2nxz s LEU 3204CO 0.71 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.91 2nxz n GLY 3205N 0.08 2.90 0.51 -3.19 0.00 -1.26 -4.61 105.19 99.62 2nxz n GLY 3205Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2nxz n GLY 3205CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nxz n THR 3206N -1.97 0.56 -3.46 2.61 -2.24 -1.21 -5.00 114.28 103.58 2nxz n THR 3206Ca 0.00 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 2nxz n THR 3206Cb 0.00 -1.42 -0.07 0.00 -2.10 0.00 0.00 70.33 66.74 2nxz n THR 3206CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2nxz s GLN 3207N -2.19 4.21 0.03 -0.78 2.00 0.01 -5.07 119.66 117.87 2nxz s GLN 3207Ca -0.14 0.14 -0.17 0.00 -2.00 0.00 0.00 55.36 53.19 2nxz s GLN 3207Cb 0.05 -3.49 -0.06 0.00 0.80 0.00 0.00 33.01 30.31 2nxz s GLN 3207CO 0.19 0.08 0.50 0.95 -0.50 0.00 0.00 175.29 176.51 2nxz s THR 3208N 0.93 4.88 -0.19 -0.34 -4.23 -1.26 -4.67 115.64 110.76 2nxz s THR 3208Ca 0.18 1.05 0.01 0.00 -1.18 0.00 0.00 61.69 61.74 2nxz s THR 3208Cb -0.14 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.91 2nxz s THR 3208CO 0.06 0.56 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.21 2nxz s TYR 3209N -1.02 2.86 -0.13 3.99 2.02 -1.26 -4.98 117.35 118.82 2nxz s TYR 3209Ca 0.27 -1.70 0.02 0.00 -0.37 0.00 0.00 57.07 55.28 2nxz s TYR 3209Cb -0.18 -1.93 -0.00 0.00 -0.40 0.00 0.00 41.96 39.45 2nxz s TYR 3209CO 0.16 -0.81 -0.19 0.42 -1.57 0.00 0.00 175.55 173.57 2nxz s ILE 3210N 1.27 2.43 -0.09 2.71 1.09 -1.26 -0.57 121.20 126.80 2nxz s ILE 3210Ca 0.03 -0.86 -0.18 0.00 -1.10 0.00 0.00 60.65 58.54 2nxz s ILE 3210Cb -0.14 -1.99 -0.05 0.00 -1.06 0.00 0.00 42.46 39.22 2nxz s ILE 3210CO -0.11 0.54 0.47 0.00 -0.10 0.00 0.00 174.94 175.73 2nxz s ASN 3212N 0.24 5.63 -0.16 0.00 -0.87 0.95 -1.16 114.94 119.57 2nxz s ASN 3212Ca 0.26 -0.07 -0.00 0.00 -1.57 0.00 0.00 52.86 51.48 2nxz s ASN 3212Cb -0.16 -2.02 -0.00 0.00 -0.02 0.00 0.00 41.25 39.05 2nxz s ASN 3212CO 0.11 -0.01 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.80 2nxz s VAL 3213N 1.48 2.69 -0.14 1.60 1.01 0.14 -1.37 120.40 125.81 2nxz s VAL 3213Ca 0.06 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2nxz s VAL 3213Cb -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2nxz s VAL 3213CO 0.06 0.51 -0.20 0.21 0.00 0.00 0.00 175.10 175.68 2nxz s ASN 3214N 0.89 3.32 -0.38 3.32 2.47 -0.13 -0.36 114.94 124.07 2nxz s ASN 3214Ca -0.04 -0.54 0.03 0.00 0.42 0.00 0.00 52.86 52.73 2nxz s ASN 3214Cb -0.15 -1.48 0.11 0.00 -1.45 0.00 0.00 41.25 38.28 2nxz s ASN 3214CO -0.01 0.10 0.13 -2.28 -3.72 0.00 0.00 177.10 171.32 2nxz s HIS 3215N 0.72 2.87 0.21 0.43 5.65 0.13 -0.73 115.29 124.56 2nxz s HIS 3215Ca -0.09 -2.65 -0.09 0.00 0.25 0.00 0.00 55.06 52.49 2nxz s HIS 3215Cb -0.16 -2.45 0.15 0.00 -1.18 0.00 0.00 32.58 28.94 2nxz s HIS 3215CO 0.01 -0.86 1.80 -0.22 -0.65 0.00 0.00 174.74 174.82 2nxz h LYS 3216N 7.36 1.11 -0.71 2.88 3.64 -1.79 0.84 116.57 129.89 2nxz h LYS 3216Ca -0.07 -0.16 0.13 0.00 -1.27 0.00 0.00 60.65 59.29 2nxz h LYS 3216Cb 0.98 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.55 2nxz h LYS 3216CO 0.54 0.86 0.47 -1.35 -2.27 0.00 0.00 179.45 177.69 2nxz h PRO 3217N 1.08 0.41 -0.38 1.90 0.11 -1.91 -0.01 132.00 133.21 2nxz h PRO 3217Ca 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2nxz h PRO 3217Cb 0.11 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2nxz h PRO 3217CO -0.03 0.27 0.00 -1.13 -0.21 0.00 0.00 178.00 176.90 2nxz n SER 3218N -4.47 3.27 -3.76 -2.05 3.41 -1.13 -4.96 113.62 103.92 2nxz n SER 3218Ca 0.13 -1.93 -0.26 0.00 -0.26 0.00 0.00 58.87 56.55 2nxz n SER 3218Cb 0.48 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.23 2nxz n SER 3218CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2nxz n ASN 3219N 1.26 -3.89 -4.43 4.04 5.15 -0.02 -4.87 115.26 112.52 2nxz n ASN 3219Ca 0.17 -0.73 -0.33 0.00 -0.60 0.00 0.00 54.58 53.09 2nxz n ASN 3219Cb 0.54 -4.25 -0.14 0.00 -0.53 0.00 0.00 39.78 35.41 2nxz n ASN 3219CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2nxz s THR 3220N -3.41 3.22 -0.06 -0.44 -1.32 0.22 -5.00 115.64 108.86 2nxz s THR 3220Ca 0.42 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 2nxz s THR 3220Cb -0.20 -2.34 0.02 0.00 -1.51 0.00 0.00 72.50 68.47 2nxz s THR 3220CO 0.80 0.54 -0.04 -0.75 -2.21 0.00 0.00 174.62 172.96 2nxz s LYS 3221N 0.04 0.89 -0.03 7.08 2.36 -1.26 0.17 119.74 129.00 2nxz s LYS 3221Ca -0.04 -0.09 0.02 0.00 -2.55 0.00 0.00 55.97 53.31 2nxz s LYS 3221Cb -0.14 -0.97 0.01 0.00 -1.05 0.00 0.00 37.83 35.68 2nxz s LYS 3221CO 0.04 -0.14 -0.06 0.08 1.55 0.00 0.00 175.35 176.81 2nxz s VAL 3222N 1.22 0.59 -0.15 4.02 1.01 0.52 -4.99 120.40 122.62 2nxz s VAL 3222Ca -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2nxz s VAL 3222Cb -0.14 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2nxz s VAL 3222CO -0.02 0.21 -0.09 -1.81 0.00 0.00 0.00 175.10 173.39 2nxz s ASP 3223N 0.48 4.27 -0.20 3.32 -0.00 -1.26 0.28 116.67 123.56 2nxz s ASP 3223Ca -0.07 -0.28 0.01 0.00 -0.00 0.00 0.00 52.55 52.21 2nxz s ASP 3223Cb -0.10 -1.68 0.04 0.00 -0.00 0.00 0.00 42.92 41.18 2nxz s ASP 3223CO 0.00 0.14 -0.10 -0.75 -0.00 0.00 0.00 175.17 174.46 2nxz s LYS 3224N 0.51 2.03 -0.05 8.23 2.47 -0.31 -4.96 119.74 127.66 2nxz s LYS 3224Ca -0.07 -0.88 -0.30 0.00 -1.56 0.00 0.00 55.97 53.17 2nxz s LYS 3224Cb -0.15 -2.45 -0.04 0.00 -1.46 0.00 0.00 37.83 33.72 2nxz s LYS 3224CO 0.04 -0.44 1.34 0.21 0.16 0.00 0.00 175.35 176.65 2nxz s LYS 3225N 1.38 4.29 -0.38 4.03 2.20 -1.26 -1.50 119.74 128.49 2nxz s LYS 3225Ca -0.02 1.84 -0.09 0.00 -0.36 0.00 0.00 55.97 57.34 2nxz s LYS 3225Cb -0.17 -3.64 0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2nxz s LYS 3225CO -0.08 -0.58 0.20 0.08 -0.36 0.00 0.00 175.35 174.61 2nxz s VAL 3226N 2.67 4.28 0.14 4.02 1.01 0.27 -4.94 120.40 127.85 2nxz s VAL 3226Ca 0.61 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2nxz s VAL 3226Cb -0.28 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2nxz s VAL 3226CO 0.23 -0.33 0.20 -1.61 0.00 0.00 0.00 175.10 173.59 2nxz s GLU 3227N 1.47 3.16 -0.38 2.72 2.02 -1.26 -4.40 118.70 122.03 2nxz s GLU 3227Ca 0.01 -0.71 -0.28 0.00 0.02 0.00 0.00 54.97 54.02 2nxz s GLU 3227Cb -0.21 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 2nxz s GLU 3227CO 0.04 0.52 1.92 -2.14 0.02 0.00 0.00 175.26 175.62 2nxz s PRO 3228N -3.04 3.06 0.00 0.39 0.02 -1.26 -4.40 135.00 129.77 2nxz s PRO 3228Ca 0.33 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.69 2nxz s PRO 3228Cb -0.11 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.12 2nxz s PRO 3228CO 0.26 -2.19 0.00 1.17 -0.33 0.00 0.00 177.00 175.91