#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj3 n LYS 3022N 0.00 0.84 -4.15 0.38 4.76 -1.26 -4.81 118.16 113.92 1pj3 n LYS 3022Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1pj3 n LYS 3022Cb 0.00 -1.21 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 1pj3 n LYS 3022CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1pj3 s GLU 3023N -1.50 0.77 0.16 1.97 2.56 -1.26 -5.16 118.70 116.24 1pj3 s GLU 3023Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 54.97 53.94 1pj3 s GLU 3023Cb 0.00 -0.63 -0.03 0.00 2.00 0.00 0.00 34.13 35.47 1pj3 s GLU 3023CO 0.00 0.12 0.16 -1.59 -0.56 0.00 0.00 175.26 173.39 1pj3 s LYS 3024N -2.06 1.06 1.34 4.30 -2.85 -1.26 -4.87 119.74 115.40 1pj3 s LYS 3024Ca -0.01 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 1pj3 s LYS 3024Cb -0.08 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1pj3 s LYS 3024CO 0.01 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1pj3 n GLY 3025N -0.17 -1.75 0.33 0.59 0.00 0.52 -4.27 105.19 100.43 1pj3 n GLY 3025Ca -0.05 -1.47 0.24 0.00 0.00 0.00 0.00 46.02 44.74 1pj3 n GLY 3025CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pj3 h LYS 3026N 0.00 0.17 -0.75 1.61 1.63 -1.88 0.27 116.57 117.62 1pj3 h LYS 3026Ca 0.00 -0.01 0.21 0.00 -0.85 0.00 0.00 60.65 60.00 1pj3 h LYS 3026Cb 0.00 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 1pj3 h LYS 3026CO 0.00 0.11 0.54 -1.35 -3.45 0.00 0.00 179.45 175.30 1pj3 h PRO 3027N 0.17 0.02 -0.97 1.90 0.11 -1.99 -1.53 132.00 129.72 1pj3 h PRO 3027Ca 0.73 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.84 1pj3 h PRO 3027Cb 1.71 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.82 1pj3 h PRO 3027CO -0.70 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 178.39 1pj3 n LEU 3028N -4.32 0.71 0.00 2.35 4.77 0.08 -2.19 117.00 118.40 1pj3 n LEU 3028Ca 0.15 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1pj3 n LEU 3028Cb 0.80 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1pj3 n LEU 3028CO 0.38 0.13 0.00 0.18 -1.33 0.00 0.00 177.39 176.75 1pj3 n LEU 3030N 0.56 0.00 -4.55 2.23 4.77 -0.58 -2.39 117.00 117.04 1pj3 n LEU 3030Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1pj3 n LEU 3030Cb 0.13 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1pj3 n LEU 3030CO 0.00 0.00 0.19 0.21 -1.33 0.00 0.00 177.39 176.46 1pj3 s ASN 3031N 0.00 6.28 0.58 -1.43 3.84 -0.93 -4.94 114.94 118.34 1pj3 s ASN 3031Ca 0.00 -0.14 0.28 0.00 0.21 0.00 0.00 52.86 53.21 1pj3 s ASN 3031Cb 0.00 -2.26 1.65 0.00 -0.55 0.00 0.00 41.25 40.10 1pj3 s ASN 3031CO 0.00 -0.48 2.12 1.55 -2.79 0.00 0.00 177.10 177.50 1pj3 h PRO 3032N 8.51 0.00 -0.73 0.43 0.13 -1.78 -0.16 132.00 138.40 1pj3 h PRO 3032Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1pj3 h PRO 3032Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1pj3 h PRO 3032CO 0.77 0.00 0.34 -0.09 -0.23 0.00 0.00 178.00 178.79 1pj3 h ARG 3033N 0.00 1.05 0.00 0.86 9.65 -1.89 -1.01 114.38 123.04 1pj3 h ARG 3033Ca 0.07 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1pj3 h ARG 3033Cb 0.41 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1pj3 h ARG 3033CO -0.00 0.81 -1.64 0.25 2.80 0.00 0.00 179.97 182.19 1pj3 n THR 3034N -4.32 0.00 -1.76 0.20 -2.24 -0.73 -4.78 114.28 100.65 1pj3 n THR 3034Ca 0.07 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1pj3 n THR 3034Cb 0.14 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1pj3 n THR 3034CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pj3 s ASN 3035N -3.72 6.45 0.00 3.42 2.47 -0.15 -4.90 114.94 118.52 1pj3 s ASN 3035Ca -0.05 2.73 0.08 0.00 0.42 0.00 0.00 52.86 56.04 1pj3 s ASN 3035Cb 0.10 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1pj3 s ASN 3035CO 0.67 -0.97 0.58 0.29 -3.72 0.00 0.00 177.10 173.94 1pj3 n LYS 3036N 5.30 2.01 0.00 0.43 5.02 -1.26 -4.59 118.16 125.07 1pj3 n LYS 3036Ca 0.17 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 1pj3 n LYS 3036Cb 0.38 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1pj3 n LYS 3036CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj3 n GLY 3037N 0.78 0.16 4.40 0.72 0.00 -1.26 -4.14 105.19 105.84 1pj3 n GLY 3037Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pj3 n GLY 3037CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj3 n ALA 3039N 0.00 0.00 -1.82 4.61 0.00 -1.25 -4.96 120.51 117.09 1pj3 n ALA 3039Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1pj3 n ALA 3039Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1pj3 n ALA 3039CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pj3 s PHE 3040N -0.71 2.70 0.94 0.00 0.40 -1.26 -4.84 117.98 115.21 1pj3 s PHE 3040Ca 0.00 0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 56.55 1pj3 s PHE 3040Cb 0.00 -4.06 0.16 0.00 0.51 0.00 0.00 43.02 39.63 1pj3 s PHE 3040CO 0.00 -4.10 1.09 0.95 0.70 0.00 0.00 175.22 173.86 1pj3 s THR 3041N 1.78 2.40 0.18 0.64 -4.23 -1.26 -4.80 115.64 110.35 1pj3 s THR 3041Ca 0.75 0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 61.25 1pj3 s THR 3041Cb -0.45 -2.62 0.08 0.00 1.34 0.00 0.00 72.50 70.85 1pj3 s THR 3041CO 0.33 -0.17 1.82 0.25 -0.54 0.00 0.00 174.62 176.31 1pj3 h LEU 3042N -1.70 0.68 -0.87 4.79 5.85 -1.99 -1.28 115.31 120.78 1pj3 h LEU 3042Ca -0.52 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.07 1pj3 h LEU 3042Cb 1.30 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1pj3 h LEU 3042CO 0.56 0.52 -0.14 1.56 -0.34 0.00 0.00 178.44 180.60 1pj3 h GLN 3043N 0.77 0.69 -0.46 1.25 4.20 -1.99 -1.83 115.11 117.74 1pj3 h GLN 3043Ca 0.21 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1pj3 h GLN 3043Cb -0.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1pj3 h GLN 3043CO -0.04 0.80 -0.03 0.93 -0.67 0.00 0.00 178.83 179.82 1pj3 h GLU 3044N 0.62 0.84 -0.18 1.46 5.08 -1.84 -3.09 114.58 117.46 1pj3 h GLU 3044Ca 0.10 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1pj3 h GLU 3044Cb 0.59 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1pj3 h GLU 3044CO 0.04 0.90 0.10 0.00 -1.00 0.00 0.00 179.01 179.05 1pj3 h ARG 3045N 0.68 0.26 -0.23 2.33 3.08 -1.09 0.26 114.38 119.67 1pj3 h ARG 3045Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1pj3 h ARG 3045Cb 0.54 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1pj3 h ARG 3045CO 0.03 0.24 0.00 1.04 -1.07 0.00 0.00 179.97 180.21 1pj3 n GLN 3046N -4.91 0.24 0.00 0.04 6.02 -0.70 -0.25 117.38 117.83 1pj3 n GLN 3046Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1pj3 n GLN 3046Cb 0.07 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1pj3 n GLN 3046CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pj3 n LEU 3048N 0.34 0.00 -1.54 1.08 4.77 0.92 -4.66 117.00 117.90 1pj3 n LEU 3048Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1pj3 n LEU 3048Cb 0.06 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1pj3 n LEU 3048CO 0.00 0.00 0.03 0.61 -1.33 0.00 0.00 177.39 176.70 1pj3 n GLY 3049N 0.00 0.22 0.00 -0.72 0.00 -0.83 -0.36 105.19 103.51 1pj3 n GLY 3049Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1pj3 n GLY 3049CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 3050N -2.02 0.31 -4.67 0.99 4.77 0.65 -4.42 117.00 112.61 1pj3 n LEU 3050Ca -0.03 -0.37 -0.49 0.00 -0.03 0.00 0.00 56.01 55.09 1pj3 n LEU 3050Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1pj3 n LEU 3050CO 0.22 0.08 1.28 1.67 -1.33 0.00 0.00 177.39 179.31 1pj3 n GLN 3051N -1.36 1.93 0.00 3.23 -0.06 -0.92 -0.39 117.38 119.82 1pj3 n GLN 3051Ca 0.01 0.70 0.00 0.00 -2.00 0.00 0.00 57.00 55.71 1pj3 n GLN 3051Cb 0.16 -2.48 0.00 0.00 -4.06 0.00 0.00 30.24 23.86 1pj3 n GLN 3051CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1pj3 n GLY 3052N 3.76 3.13 0.02 1.69 0.00 -1.26 -4.84 105.19 107.68 1pj3 n GLY 3052Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1pj3 n GLY 3052CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 3053N 0.00 0.27 -4.35 0.99 4.77 0.48 -4.82 117.00 114.34 1pj3 n LEU 3053Ca 0.00 0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 56.10 1pj3 n LEU 3053Cb 0.00 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 1pj3 n LEU 3053CO 0.00 0.01 -0.49 -0.76 -1.33 0.00 0.00 177.39 174.82 1pj3 s LEU 3054N -3.24 2.45 0.68 2.23 1.43 -1.23 -5.12 118.68 115.87 1pj3 s LEU 3054Ca 0.12 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.18 1pj3 s LEU 3054Cb 0.18 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1pj3 s LEU 3054CO 0.60 -0.01 1.26 -2.84 0.23 0.00 0.00 176.35 175.59 1pj3 s PRO 3055N -2.82 2.36 0.36 1.29 0.02 -1.26 -4.86 135.00 130.08 1pj3 s PRO 3055Ca 0.17 1.95 0.22 0.00 0.02 0.00 0.00 61.00 63.36 1pj3 s PRO 3055Cb -0.06 -1.84 1.18 0.00 0.02 0.00 0.00 34.50 33.81 1pj3 s PRO 3055CO 0.08 -1.71 1.65 -1.35 -0.33 0.00 0.00 177.00 175.33 1pj3 h PRO 3056N 0.19 0.00 -6.69 5.54 0.11 -2.00 -3.43 132.00 125.73 1pj3 h PRO 3056Ca -0.50 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.10 1pj3 h PRO 3056Cb 1.32 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.45 1pj3 h PRO 3056CO 0.52 0.00 0.56 0.21 -0.21 0.00 0.00 178.00 179.07 1pj3 s LYS 3057N -3.56 4.49 -0.24 1.05 2.47 -1.26 -5.03 119.74 117.66 1pj3 s LYS 3057Ca -0.02 1.89 -0.07 0.00 -1.56 0.00 0.00 55.97 56.21 1pj3 s LYS 3057Cb 0.06 -3.23 -0.02 0.00 -1.46 0.00 0.00 37.83 33.18 1pj3 s LYS 3057CO 0.20 -0.07 0.04 0.42 0.16 0.00 0.00 175.35 176.10 1pj3 s ILE 3058N -0.19 4.12 0.32 5.43 1.09 -1.26 -4.86 121.20 125.85 1pj3 s ILE 3058Ca 0.52 -0.24 0.08 0.00 -1.10 0.00 0.00 60.65 59.92 1pj3 s ILE 3058Cb -0.33 -2.91 -0.04 0.00 -1.06 0.00 0.00 42.46 38.12 1pj3 s ILE 3058CO 0.38 0.36 0.14 -1.61 -0.10 0.00 0.00 174.94 174.11 1pj3 s GLU 3059N 1.52 2.44 0.34 2.79 2.02 -1.26 -4.99 118.70 121.56 1pj3 s GLU 3059Ca 0.06 -1.46 0.07 0.00 0.02 0.00 0.00 54.97 53.66 1pj3 s GLU 3059Cb -0.15 -2.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1pj3 s GLU 3059CO 0.02 0.17 0.36 0.95 0.02 0.00 0.00 175.26 176.78 1pj3 s THR 3060N -2.37 3.64 0.38 3.63 -4.23 -1.26 -3.93 115.64 111.50 1pj3 s THR 3060Ca 0.37 -1.24 0.11 0.00 -1.18 0.00 0.00 61.69 59.75 1pj3 s THR 3060Cb -0.04 -3.24 0.13 0.00 1.34 0.00 0.00 72.50 70.69 1pj3 s THR 3060CO 0.23 -0.15 1.88 -0.61 -0.54 0.00 0.00 174.62 175.43 1pj3 h GLN 3061N 1.10 0.14 -0.67 3.99 4.15 -1.97 -2.62 115.11 119.23 1pj3 h GLN 3061Ca -0.45 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 58.99 1pj3 h GLN 3061Cb 1.26 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.87 1pj3 h GLN 3061CO 0.56 0.37 0.37 -0.44 -1.93 0.00 0.00 178.83 177.76 1pj3 h ASP 3062N 0.13 0.55 -0.50 -0.69 3.45 -1.99 0.69 116.42 118.06 1pj3 h ASP 3062Ca 0.02 0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.47 1pj3 h ASP 3062Cb 0.48 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 1pj3 h ASP 3062CO 0.03 0.35 0.12 0.40 -1.57 0.00 0.00 179.24 178.58 1pj3 h ILE 3063N 0.69 1.24 -0.69 0.35 2.04 -1.87 -1.64 117.51 117.63 1pj3 h ILE 3063Ca 0.30 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1pj3 h ILE 3063Cb 0.20 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1pj3 h ILE 3063CO -0.19 0.31 0.34 1.56 0.00 0.00 0.00 178.15 180.17 1pj3 h GLN 3064N 0.69 0.98 -0.86 2.37 4.20 -1.19 -1.09 115.11 120.21 1pj3 h GLN 3064Ca 0.16 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1pj3 h GLN 3064Cb 0.33 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1pj3 h GLN 3064CO 0.00 0.77 0.42 0.00 -0.67 0.00 0.00 178.83 179.36 1pj3 h ALA 3065N 1.16 1.10 -0.59 3.87 0.00 -0.67 -2.08 119.26 122.07 1pj3 h ALA 3065Ca 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1pj3 h ALA 3065Cb 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1pj3 h ALA 3065CO -0.03 0.66 0.25 1.25 0.00 0.00 0.00 179.25 181.37 1pj3 h LEU 3066N 1.22 0.79 -0.66 0.00 6.46 -0.78 -1.47 115.31 120.87 1pj3 h LEU 3066Ca 0.30 -0.16 0.05 0.00 -0.12 0.00 0.00 57.88 57.95 1pj3 h LEU 3066Cb 0.10 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 39.77 1pj3 h LEU 3066CO -0.04 0.73 0.38 -0.09 -0.62 0.00 0.00 178.44 178.81 1pj3 h ARG 3067N 0.80 0.70 0.29 1.25 2.43 -0.73 -1.54 114.38 117.59 1pj3 h ARG 3067Ca 0.20 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1pj3 h ARG 3067Cb 0.17 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1pj3 h ARG 3067CO -0.02 0.46 -0.14 0.35 -1.51 0.00 0.00 179.97 179.12 1pj3 h PHE 3068N 0.72 -0.36 -0.18 2.20 3.57 -0.94 -2.23 116.94 119.73 1pj3 h PHE 3068Ca 0.29 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1pj3 h PHE 3068Cb 0.13 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1pj3 h PHE 3068CO -0.07 -0.14 0.06 0.45 -2.23 0.00 0.00 178.31 176.39 1pj3 h HIS 3069N -0.51 0.25 -0.08 0.41 3.86 -1.11 0.17 115.15 118.14 1pj3 h HIS 3069Ca -0.04 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1pj3 h HIS 3069Cb 0.38 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1pj3 h HIS 3069CO -0.02 0.21 0.02 0.00 0.86 0.00 0.00 177.93 179.00 1pj3 h ARG 3070N 0.26 0.13 -0.48 2.45 -0.00 -1.16 -1.73 114.38 113.84 1pj3 h ARG 3070Ca 0.07 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.98 59.42 1pj3 h ARG 3070Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.01 1pj3 h ARG 3070CO -0.01 0.31 -0.08 -0.91 0.00 0.00 0.00 179.97 179.29 1pj3 h ASN 3071N -0.08 0.90 -0.98 7.04 2.35 -0.76 -3.01 115.58 121.05 1pj3 h ASN 3071Ca 0.03 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1pj3 h ASN 3071Cb 0.24 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1pj3 h ASN 3071CO 0.00 1.04 0.65 0.25 -1.65 0.00 0.00 177.43 177.72 1pj3 h LEU 3072N 0.75 1.10 -0.90 1.61 5.85 -0.64 -2.60 115.31 120.49 1pj3 h LEU 3072Ca 0.13 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.95 1pj3 h LEU 3072Cb 0.63 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 1pj3 h LEU 3072CO 0.04 0.79 0.52 0.50 -0.34 0.00 0.00 178.44 179.94 1pj3 h LYS 3073N 1.30 0.76 -3.23 1.25 1.63 -1.17 -3.45 116.57 113.66 1pj3 h LYS 3073Ca 0.37 -0.05 -0.48 0.00 -0.85 0.00 0.00 60.65 59.64 1pj3 h LYS 3073Cb -0.10 -0.17 0.02 0.00 -0.60 0.00 0.00 32.23 31.38 1pj3 h LYS 3073CO -0.09 0.50 3.00 1.63 -3.45 0.00 0.00 179.45 181.04 1pj3 n LYS 3074N -4.76 2.68 0.01 1.90 5.02 -0.98 -5.12 118.16 116.92 1pj3 n LYS 3074Ca 0.17 -1.72 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 1pj3 n LYS 3074Cb 0.38 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 1pj3 n LYS 3074CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pj3 n THR 3076N 3.91 0.00 -3.35 -0.18 -2.24 -1.26 -5.15 114.28 106.01 1pj3 n THR 3076Ca 0.57 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 62.07 1pj3 n THR 3076Cb 0.19 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 1pj3 n THR 3076CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pj3 s SER 3077N -4.43 6.42 0.22 3.42 1.04 -1.26 -5.02 113.70 114.10 1pj3 s SER 3077Ca 0.00 0.66 -0.04 0.00 0.48 0.00 0.00 55.95 57.05 1pj3 s SER 3077Cb 0.00 -2.12 0.22 0.00 0.10 0.00 0.00 66.02 64.22 1pj3 s SER 3077CO 0.00 -0.21 1.66 -0.65 0.98 0.00 0.00 173.24 175.03 1pj3 h PRO 3078N 1.55 0.79 -0.34 4.02 0.11 -2.00 -2.85 132.00 133.28 1pj3 h PRO 3078Ca -0.48 -0.29 -0.11 0.00 0.11 0.00 0.00 66.00 65.23 1pj3 h PRO 3078Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1pj3 h PRO 3078CO 0.66 0.90 -0.25 1.25 -0.21 0.00 0.00 178.00 180.34 1pj3 h LEU 3079N 0.70 0.68 -0.69 2.35 5.85 -1.94 0.39 115.31 122.66 1pj3 h LEU 3079Ca 0.11 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1pj3 h LEU 3079Cb 0.65 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1pj3 h LEU 3079CO 0.05 0.91 0.37 -0.08 -0.34 0.00 0.00 178.44 179.35 1pj3 h GLU 3080N 0.59 0.97 -0.51 1.25 4.81 -1.95 -0.66 114.58 119.08 1pj3 h GLU 3080Ca 0.08 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1pj3 h GLU 3080Cb 0.73 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1pj3 h GLU 3080CO 0.06 0.74 0.01 0.87 -0.73 0.00 0.00 179.01 179.96 1pj3 h LYS 3081N 0.95 0.90 -0.15 1.92 1.57 -1.22 -1.80 116.57 118.74 1pj3 h LYS 3081Ca 0.24 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1pj3 h LYS 3081Cb 0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1pj3 h LYS 3081CO -0.04 0.92 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.78 1pj3 h TYR 3082N 0.76 -0.12 -0.81 -1.35 3.20 -0.50 0.16 116.97 118.31 1pj3 h TYR 3082Ca 0.15 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1pj3 h TYR 3082Cb 0.50 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1pj3 h TYR 3082CO 0.04 -0.09 0.53 0.82 -1.64 0.00 0.00 178.16 177.82 1pj3 h ILE 3083N -0.03 1.12 0.55 1.81 2.04 -0.99 -3.13 117.51 118.87 1pj3 h ILE 3083Ca 0.08 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1pj3 h ILE 3083Cb 0.14 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1pj3 h ILE 3083CO -0.17 0.18 -0.27 0.22 0.00 0.00 0.00 178.15 178.12 1pj3 h TYR 3084N 0.98 -0.69 0.00 1.37 3.20 -0.40 -2.21 116.97 119.22 1pj3 h TYR 3084Ca 0.33 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1pj3 h TYR 3084Cb 0.07 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1pj3 h TYR 3084CO -0.00 -0.43 0.00 0.44 -1.64 0.00 0.00 178.16 176.53 1pj3 n ILE 3085N -5.12 0.18 0.00 1.81 -6.64 0.46 -2.57 119.36 107.49 1pj3 n ILE 3085Ca -0.09 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 60.86 1pj3 n ILE 3085Cb 0.29 -0.74 0.00 0.00 -1.44 0.00 0.00 39.64 37.75 1pj3 n ILE 3085CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1pj3 n GLY 3087N 1.28 0.00 0.26 3.28 0.00 -0.83 -3.18 105.19 105.99 1pj3 n GLY 3087Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1pj3 n GLY 3087CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj3 h ILE 3088N 0.00 1.17 0.00 -0.61 2.04 -1.78 -0.91 117.51 117.43 1pj3 h ILE 3088Ca 0.00 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1pj3 h ILE 3088Cb 0.00 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1pj3 h ILE 3088CO 0.00 0.23 -0.04 -0.61 0.00 0.00 0.00 178.15 177.73 1pj3 h GLN 3089N 0.33 0.00 -0.15 2.37 4.15 -1.81 0.16 115.11 120.16 1pj3 h GLN 3089Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1pj3 h GLN 3089Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1pj3 h GLN 3089CO 0.01 0.04 0.00 0.39 -1.93 0.00 0.00 178.83 177.35 1pj3 n GLU 3090N -3.88 2.06 -0.00 1.69 -0.58 -0.36 -4.24 120.64 115.32 1pj3 n GLU 3090Ca -0.03 -1.56 -0.00 0.00 -0.42 0.00 0.00 57.16 55.15 1pj3 n GLU 3090Cb 0.13 -1.46 -0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1pj3 n GLU 3090CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pj3 n ARG 3091N 0.83 0.01 -3.35 3.49 1.74 -0.19 -4.48 116.66 114.72 1pj3 n ARG 3091Ca 0.17 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.07 1pj3 n ARG 3091Cb 0.47 -0.67 -0.08 0.00 -1.02 0.00 0.00 32.46 31.16 1pj3 n ARG 3091CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1pj3 s ASN 3092N -4.73 1.25 0.20 0.55 3.84 0.39 -4.23 114.94 112.22 1pj3 s ASN 3092Ca -0.01 -1.80 -0.12 0.00 0.21 0.00 0.00 52.86 51.15 1pj3 s ASN 3092Cb 0.00 0.44 0.25 0.00 -0.55 0.00 0.00 41.25 41.39 1pj3 s ASN 3092CO 0.01 -0.24 1.68 -0.08 -2.79 0.00 0.00 177.10 175.67 1pj3 h GLU 3093N 6.82 0.13 -0.57 0.43 4.81 -1.30 -0.29 114.58 124.60 1pj3 h GLU 3093Ca 0.07 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1pj3 h GLU 3093Cb 1.04 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 1pj3 h GLU 3093CO 0.21 0.08 0.30 0.87 -0.73 0.00 0.00 179.01 179.74 1pj3 h LYS 3094N 0.13 0.56 -0.50 1.92 1.79 -1.86 -1.77 116.57 116.84 1pj3 h LYS 3094Ca 0.29 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.65 1pj3 h LYS 3094Cb 0.45 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1pj3 h LYS 3094CO -0.47 0.37 0.02 1.25 -1.08 0.00 0.00 179.45 179.54 1pj3 h LEU 3095N 0.57 0.78 0.04 2.94 5.85 -1.58 -0.99 115.31 122.93 1pj3 h LEU 3095Ca 0.25 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1pj3 h LEU 3095Cb 0.14 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1pj3 h LEU 3095CO -0.16 0.84 -0.25 0.15 -0.34 0.00 0.00 178.44 178.68 1pj3 h PHE 3096N 0.76 -0.66 -0.02 1.25 3.57 -0.27 -0.19 116.94 121.40 1pj3 h PHE 3096Ca 0.15 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1pj3 h PHE 3096Cb 0.44 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1pj3 h PHE 3096CO 0.02 -0.34 -0.49 1.88 -2.23 0.00 0.00 178.31 177.15 1pj3 h TYR 3097N -0.41 0.05 -0.67 0.41 -1.99 -1.21 -2.36 116.97 110.79 1pj3 h TYR 3097Ca 0.05 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 1pj3 h TYR 3097Cb 0.47 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.16 1pj3 h TYR 3097CO -0.26 0.53 0.27 -0.09 -0.00 0.00 0.00 178.16 178.61 1pj3 h ARG 3098N 0.03 1.00 -0.52 4.88 9.65 -0.74 -0.95 114.38 127.73 1pj3 h ARG 3098Ca -0.00 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.67 1pj3 h ARG 3098Cb 0.88 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 1pj3 h ARG 3098CO 0.07 0.83 0.22 0.82 2.80 0.00 0.00 179.97 184.71 1pj3 h ILE 3099N 0.95 1.21 -0.40 1.20 5.03 -0.75 -0.99 117.51 123.76 1pj3 h ILE 3099Ca 0.23 -0.64 -0.09 0.00 -0.12 0.00 0.00 64.86 64.23 1pj3 h ILE 3099Cb 0.20 0.66 -0.02 0.00 -3.03 0.00 0.00 36.82 34.63 1pj3 h ILE 3099CO -0.02 0.25 -0.13 -0.07 -0.68 0.00 0.00 178.15 177.49 1pj3 h LEU 3100N 0.71 0.71 -1.21 1.44 3.38 -1.20 -2.74 115.31 116.40 1pj3 h LEU 3100Ca 0.18 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1pj3 h LEU 3100Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1pj3 h LEU 3100CO -0.02 0.86 -0.30 -0.61 0.09 0.00 0.00 178.44 178.46 1pj3 h GLN 3101N 0.65 0.00 -0.06 1.13 4.15 -0.80 -1.42 115.11 118.77 1pj3 h GLN 3101Ca 0.11 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1pj3 h GLN 3101Cb 0.60 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1pj3 h GLN 3101CO 0.04 0.30 -0.21 -0.44 -1.93 0.00 0.00 178.83 176.59 1pj3 h ASP 3102N 0.00 0.10 -0.40 -0.69 3.32 -0.86 -3.38 116.42 114.50 1pj3 h ASP 3102Ca -0.00 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1pj3 h ASP 3102Cb 0.73 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.10 1pj3 h ASP 3102CO 0.04 0.31 -0.37 -0.67 -1.72 0.00 0.00 179.24 176.84 1pj3 n ASP 3103N -4.25 -2.65 0.04 6.45 2.03 -1.16 -5.02 116.55 111.99 1pj3 n ASP 3103Ca -0.02 -2.55 0.03 0.00 0.52 0.00 0.00 54.79 52.77 1pj3 n ASP 3103Cb 0.29 1.46 0.40 0.00 -0.72 0.00 0.00 41.12 42.56 1pj3 n ASP 3103CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1pj3 h ILE 3104N 3.43 1.14 -0.36 5.18 6.09 -1.45 -2.73 117.51 128.80 1pj3 h ILE 3104Ca -0.06 -0.44 -0.12 0.00 -1.37 0.00 0.00 64.86 62.87 1pj3 h ILE 3104Cb 1.11 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 1pj3 h ILE 3104CO 0.06 0.16 -0.25 -0.08 -3.07 0.00 0.00 178.15 174.97 1pj3 h GLU 3105N 0.44 0.74 0.00 2.19 4.81 -1.86 -3.11 114.58 117.79 1pj3 h GLU 3105Ca 0.11 -0.31 -0.12 0.00 -0.13 0.00 0.00 59.36 58.91 1pj3 h GLU 3105Cb 0.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1pj3 h GLU 3105CO -0.01 0.92 -0.58 0.66 -0.73 0.00 0.00 179.01 179.26 1pj3 h SER 3106N 0.64 0.00 -1.76 1.04 4.64 -1.90 -3.39 113.55 112.81 1pj3 h SER 3106Ca 0.08 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.64 1pj3 h SER 3106Cb 0.76 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.64 1pj3 h SER 3106CO 0.06 0.58 1.54 0.18 -0.87 0.00 0.00 176.83 178.32 1pj3 n LEU 3107N -3.34 7.60 0.00 5.97 4.77 -1.06 -4.59 117.00 126.36 1pj3 n LEU 3107Ca 0.01 -5.11 0.00 0.00 -0.03 0.00 0.00 56.01 50.88 1pj3 n LEU 3107Cb 0.72 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1pj3 n LEU 3107CO 0.41 2.02 0.00 -2.65 -1.33 0.00 0.00 177.39 175.84 1pj3 n PRO 3109N 0.63 0.00 -0.10 3.23 -0.02 -1.26 -1.50 135.00 135.99 1pj3 n PRO 3109Ca 0.53 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.81 1pj3 n PRO 3109Cb 0.27 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.63 1pj3 n PRO 3109CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1pj3 h ILE 3110N 0.00 1.02 0.00 4.25 1.08 -1.83 -2.54 117.51 119.49 1pj3 h ILE 3110Ca 0.00 -2.17 0.00 0.00 -0.39 0.00 0.00 64.86 62.30 1pj3 h ILE 3110Cb 0.00 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1pj3 h ILE 3110CO 0.00 0.35 -0.48 -0.37 -0.69 0.00 0.00 178.15 176.95 1pj3 h VAL 3111N -1.00 0.00 -0.80 1.67 -1.51 -1.66 -3.34 116.25 109.61 1pj3 h VAL 3111Ca -0.29 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 1pj3 h VAL 3111Cb 1.24 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1pj3 h VAL 3111CO -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.16 1pj3 n TYR 3112N -2.44 0.00 -2.51 5.19 9.36 -1.26 -4.58 117.16 120.93 1pj3 n TYR 3112Ca 0.03 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.86 1pj3 n TYR 3112Cb 0.48 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.15 1pj3 n TYR 3112CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1pj3 s THR 3113N 2.09 3.59 -0.71 2.97 -1.32 -1.26 -0.39 115.64 120.61 1pj3 s THR 3113Ca 0.00 1.44 0.24 0.00 -1.21 0.00 0.00 61.69 62.15 1pj3 s THR 3113Cb 0.00 -3.85 -0.05 0.00 -1.51 0.00 0.00 72.50 67.09 1pj3 s THR 3113CO 0.00 0.22 1.18 -0.81 -2.21 0.00 0.00 174.62 173.00 1pj3 n PRO 3114N 0.68 0.22 0.19 7.08 -0.04 -1.23 -4.12 135.00 137.77 1pj3 n PRO 3114Ca 0.01 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1pj3 n PRO 3114Cb 0.47 -1.60 0.50 0.00 -0.04 0.00 0.00 33.50 32.84 1pj3 n PRO 3114CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pj3 h THR 3115N 0.00 1.10 0.00 0.52 2.02 -1.07 -1.44 112.91 114.04 1pj3 h THR 3115Ca 0.00 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1pj3 h THR 3115Cb 0.68 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1pj3 h THR 3115CO 0.00 0.14 -0.04 1.62 0.37 0.00 0.00 175.52 177.61 1pj3 h VAL 3116N 0.11 0.49 -0.12 3.16 3.04 -0.84 0.24 116.25 122.33 1pj3 h VAL 3116Ca 0.03 -0.18 -0.21 0.00 -1.01 0.00 0.00 66.70 65.32 1pj3 h VAL 3116Cb 0.21 1.12 0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1pj3 h VAL 3116CO 0.01 0.04 -0.78 1.23 -1.01 0.00 0.00 177.57 177.06 1pj3 h GLY 3117N 0.30 0.73 1.27 3.17 0.00 -1.49 -2.08 103.07 104.96 1pj3 h GLY 3117Ca -0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 47.33 46.15 1pj3 h GLY 3117CO 0.01 0.94 -0.25 -2.00 0.00 0.00 0.00 176.54 175.23 1pj3 h LEU 3118N 0.45 0.86 -0.69 3.11 5.85 -1.04 -2.54 115.31 121.31 1pj3 h LEU 3118Ca -0.05 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.24 1pj3 h LEU 3118Cb 1.40 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1pj3 h LEU 3118CO 0.15 1.07 -0.04 0.00 -0.34 0.00 0.00 178.44 179.27 1pj3 h ALA 3119N 0.99 0.89 -0.38 1.25 0.00 -0.97 -2.68 119.26 118.37 1pj3 h ALA 3119Ca 0.09 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1pj3 h ALA 3119Cb 0.79 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pj3 h ALA 3119CO 0.07 0.65 -0.21 0.00 0.00 0.00 0.00 179.25 179.76 1pj3 h SER 3121N 0.64 0.00 0.00 0.00 4.64 -1.21 -2.71 113.55 114.92 1pj3 h SER 3121Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1pj3 h SER 3121Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1pj3 h SER 3121CO 0.05 0.08 -0.09 0.00 -0.87 0.00 0.00 176.83 176.00 1pj3 n GLN 3122N -3.33 1.15 -0.25 4.77 6.02 -0.92 -4.85 117.38 119.98 1pj3 n GLN 3122Ca -0.01 -2.45 0.05 0.00 -0.01 0.00 0.00 57.00 54.58 1pj3 n GLN 3122Cb 0.26 -1.39 0.15 0.00 1.02 0.00 0.00 30.24 30.29 1pj3 n GLN 3122CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1pj3 h TYR 3123N 0.07 -0.04 0.00 1.08 3.20 0.57 0.26 116.97 122.10 1pj3 h TYR 3123Ca -0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1pj3 h TYR 3123Cb 1.05 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1pj3 h TYR 3123CO 0.06 -0.23 0.00 0.78 -1.64 0.00 0.00 178.16 177.13 1pj3 h GLY 3124N 0.11 0.00 1.19 1.82 0.00 -1.85 -2.02 103.07 102.31 1pj3 h GLY 3124Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.53 1pj3 h GLY 3124CO -0.65 0.00 -1.37 0.45 0.00 0.00 0.00 176.54 174.97 1pj3 h HIS 3125N 0.00 0.00 -0.01 5.60 3.86 -0.78 -3.36 115.15 120.45 1pj3 h HIS 3125Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pj3 h HIS 3125Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1pj3 h HIS 3125CO 0.00 0.74 -0.34 0.44 0.86 0.00 0.00 177.93 179.63 1pj3 n ILE 3126N -3.02 0.00 -1.52 2.45 -5.35 -0.95 -5.02 119.36 105.95 1pj3 n ILE 3126Ca -0.10 -0.33 -0.48 0.00 -0.27 0.00 0.00 62.75 61.57 1pj3 n ILE 3126Cb 0.90 1.25 -0.03 0.00 -1.74 0.00 0.00 39.64 40.02 1pj3 n ILE 3126CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1pj3 n PHE 3127N 0.09 0.70 0.00 4.28 7.35 -0.78 -4.87 117.46 124.24 1pj3 n PHE 3127Ca 0.08 0.81 0.00 0.00 -0.76 0.00 0.00 57.45 57.58 1pj3 n PHE 3127Cb 0.41 -2.16 0.00 0.00 0.35 0.00 0.00 39.48 38.08 1pj3 n PHE 3127CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pj3 n ARG 3128N 1.20 0.00 -3.93 -4.13 1.74 -1.26 -5.09 116.66 105.18 1pj3 n ARG 3128Ca 0.15 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.12 1pj3 n ARG 3128Cb 0.25 -0.14 -0.12 0.00 -1.02 0.00 0.00 32.46 31.43 1pj3 n ARG 3128CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pj3 s ARG 3129N -1.82 0.23 0.51 5.56 0.52 -1.26 -5.15 118.95 117.54 1pj3 s ARG 3129Ca 0.00 -0.37 -0.17 0.00 -0.52 0.00 0.00 55.73 54.67 1pj3 s ARG 3129Cb 0.00 0.08 -0.08 0.00 0.52 0.00 0.00 34.95 35.47 1pj3 s ARG 3129CO 0.00 -0.04 0.99 -1.25 0.02 0.00 0.00 175.30 175.02 1pj3 s PRO 3130N -0.94 3.93 -0.12 3.54 0.04 -1.26 -5.05 135.00 135.14 1pj3 s PRO 3130Ca -0.10 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 1pj3 s PRO 3130Cb -0.06 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1pj3 s PRO 3130CO -0.00 -0.29 0.01 0.15 0.04 0.00 0.00 177.00 176.91 1pj3 s LYS 3131N -3.94 0.66 0.00 4.56 1.02 -1.26 -5.10 119.74 115.68 1pj3 s LYS 3131Ca 0.60 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1pj3 s LYS 3131Cb -0.10 -1.41 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 1pj3 s LYS 3131CO 0.29 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 1pj3 n GLY 3132N 5.11 -2.78 3.67 -3.33 0.00 -1.26 -4.94 105.19 101.65 1pj3 n GLY 3132Ca -0.08 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.42 1pj3 n GLY 3132CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pj3 s LEU 3133N 0.00 3.90 -0.21 0.99 0.20 -0.07 -5.01 118.68 118.47 1pj3 s LEU 3133Ca 0.00 0.13 -0.03 0.00 0.69 0.00 0.00 54.13 54.93 1pj3 s LEU 3133Cb 0.00 -1.98 0.00 0.00 -0.43 0.00 0.00 46.19 43.78 1pj3 s LEU 3133CO 0.00 0.20 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.82 1pj3 s PHE 3134N 0.20 2.91 -0.19 5.38 0.40 -1.26 -1.46 117.98 123.96 1pj3 s PHE 3134Ca 0.05 -1.14 0.00 0.00 -0.60 0.00 0.00 56.93 55.24 1pj3 s PHE 3134Cb -0.12 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.37 1pj3 s PHE 3134CO 0.00 -0.62 -0.17 0.42 0.70 0.00 0.00 175.22 175.55 1pj3 s ILE 3135N 1.43 2.29 0.35 0.64 1.01 -0.36 -4.99 121.20 121.57 1pj3 s ILE 3135Ca 0.05 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.87 1pj3 s ILE 3135Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1pj3 s ILE 3135CO -0.06 0.48 0.19 -0.94 0.00 0.00 0.00 174.94 174.61 1pj3 s SER 3136N 1.31 4.78 0.54 3.58 1.04 -1.26 0.46 113.70 124.15 1pj3 s SER 3136Ca 0.04 -0.76 0.28 0.00 0.48 0.00 0.00 55.95 55.99 1pj3 s SER 3136Cb -0.14 -0.72 1.54 0.00 0.10 0.00 0.00 66.02 66.80 1pj3 s SER 3136CO -0.11 -0.37 2.11 -0.29 0.98 0.00 0.00 173.24 175.57 1pj3 h ILE 3137N 1.44 0.53 0.00 -1.02 -0.00 -1.26 -0.61 117.51 116.59 1pj3 h ILE 3137Ca -0.43 -0.42 0.00 0.00 -0.00 0.00 0.00 64.86 64.00 1pj3 h ILE 3137Cb 1.25 1.28 0.00 0.00 -0.00 0.00 0.00 36.82 39.35 1pj3 h ILE 3137CO 0.63 0.09 0.00 -1.20 -0.00 0.00 0.00 178.15 177.67 1pj3 n SER 3138N -3.65 0.28 -1.24 2.19 7.64 -1.26 -2.03 113.62 115.55 1pj3 n SER 3138Ca -0.02 0.57 0.11 0.00 1.01 0.00 0.00 58.87 60.54 1pj3 n SER 3138Cb 0.21 -0.63 0.29 0.00 -1.01 0.00 0.00 64.21 63.07 1pj3 n SER 3138CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pj3 n ASP 3139N -1.81 3.77 -4.63 6.43 8.00 -0.24 -4.99 116.55 123.10 1pj3 n ASP 3139Ca 0.03 -2.00 -0.49 0.00 0.71 0.00 0.00 54.79 53.05 1pj3 n ASP 3139Cb 0.20 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 1pj3 n ASP 3139CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1pj3 n ARG 3140N 1.49 1.64 0.00 -1.24 1.85 -0.86 -0.01 116.66 119.54 1pj3 n ARG 3140Ca 0.22 0.59 0.00 0.00 -1.00 0.00 0.00 57.85 57.67 1pj3 n ARG 3140Cb 0.60 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 1pj3 n ARG 3140CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pj3 n GLY 3141N 2.94 1.84 0.33 2.89 0.00 -1.26 -4.84 105.19 107.09 1pj3 n GLY 3141Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1pj3 n GLY 3141CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pj3 n HIS 3142N -2.00 0.00 -0.10 1.61 8.25 0.99 -4.82 115.22 119.16 1pj3 n HIS 3142Ca 0.00 -0.77 -0.01 0.00 -0.26 0.00 0.00 57.72 56.68 1pj3 n HIS 3142Cb 0.00 -0.14 0.25 0.00 1.12 0.00 0.00 29.99 31.23 1pj3 n HIS 3142CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pj3 h VAL 3143N 2.34 1.20 -0.79 1.59 2.07 -1.87 -2.96 116.25 117.82 1pj3 h VAL 3143Ca -0.01 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1pj3 h VAL 3143Cb 1.16 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1pj3 h VAL 3143CO 0.01 0.25 0.38 -0.09 0.02 0.00 0.00 177.57 178.14 1pj3 h ARG 3144N 0.73 1.13 0.00 1.57 9.65 -1.88 -1.29 114.38 124.30 1pj3 h ARG 3144Ca 0.17 -0.16 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 1pj3 h ARG 3144Cb 0.19 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1pj3 h ARG 3144CO -0.01 0.86 -0.24 0.66 2.80 0.00 0.00 179.97 184.04 1pj3 h SER 3145N 1.12 0.00 -0.04 -3.80 4.64 -1.90 -0.33 113.55 113.23 1pj3 h SER 3145Ca 0.27 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.42 1pj3 h SER 3145Cb 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1pj3 h SER 3145CO -0.04 0.24 -0.66 0.40 -0.87 0.00 0.00 176.83 175.91 1pj3 h ILE 3146N 0.00 1.37 -0.72 0.95 2.04 -1.33 -2.87 117.51 116.96 1pj3 h ILE 3146Ca -0.00 -2.02 -0.02 0.00 1.00 0.00 0.00 64.86 63.82 1pj3 h ILE 3146Cb 0.58 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 1pj3 h ILE 3146CO 0.03 0.60 0.37 0.58 0.00 0.00 0.00 178.15 179.73 1pj3 h VAL 3147N 0.10 1.22 0.00 1.67 2.07 -0.86 -1.44 116.25 119.00 1pj3 h VAL 3147Ca -0.07 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1pj3 h VAL 3147Cb 1.33 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1pj3 h VAL 3147CO 0.13 0.25 0.00 0.44 0.02 0.00 0.00 177.57 178.42 1pj3 h ASP 3148N 1.01 0.00 1.24 0.57 3.32 -1.01 -2.35 116.42 119.20 1pj3 h ASP 3148Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1pj3 h ASP 3148Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1pj3 h ASP 3148CO -0.04 0.00 -0.01 0.59 -1.72 0.00 0.00 179.24 178.06 1pj3 n ASN 3149N -2.72 0.44 -4.70 6.45 3.02 -0.55 -4.79 115.26 112.41 1pj3 n ASN 3149Ca 0.01 0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 54.66 1pj3 n ASN 3149Cb 0.23 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.73 1pj3 n ASN 3149CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1pj3 s TRP 3150N -3.05 2.81 0.43 3.10 -0.11 -0.89 -4.91 118.94 116.33 1pj3 s TRP 3150Ca 0.12 0.56 0.09 0.00 1.22 0.00 0.00 56.10 58.09 1pj3 s TRP 3150Cb 0.15 -3.89 0.95 0.00 -1.50 0.00 0.00 33.47 29.19 1pj3 s TRP 3150CO 0.57 -3.39 2.08 -1.35 -4.62 0.00 0.00 176.95 170.24 1pj3 h PRO 3151N 7.50 0.42 -6.48 5.86 0.11 -1.90 -3.44 132.00 134.06 1pj3 h PRO 3151Ca -0.42 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 1pj3 h PRO 3151Cb 1.20 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1pj3 h PRO 3151CO 0.91 0.28 0.22 -1.21 -0.21 0.00 0.00 178.00 177.99 1pj3 s GLU 3152N -5.40 4.60 0.08 1.05 0.41 -1.26 -4.99 118.70 113.18 1pj3 s GLU 3152Ca -0.08 1.21 0.23 0.00 -0.41 0.00 0.00 54.97 55.92 1pj3 s GLU 3152Cb 0.17 -3.31 0.07 0.00 -1.78 0.00 0.00 34.13 29.28 1pj3 s GLU 3152CO 0.72 0.43 1.05 0.09 -0.49 0.00 0.00 175.26 177.06 1pj3 n ASN 3153N 2.11 0.63 -3.11 -0.19 3.02 -1.26 -4.62 115.26 111.83 1pj3 n ASN 3153Ca -0.03 -0.06 -0.24 0.00 -0.03 0.00 0.00 54.58 54.22 1pj3 n ASN 3153Cb 0.49 0.70 -0.05 0.00 -0.61 0.00 0.00 39.78 40.31 1pj3 n ASN 3153CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1pj3 n HIS 3154N -2.11 2.55 -2.23 3.10 -0.00 -1.26 -4.94 115.22 110.33 1pj3 n HIS 3154Ca 0.01 -3.94 -0.41 0.00 0.46 0.00 0.00 57.72 53.85 1pj3 n HIS 3154Cb 0.46 -0.47 -0.03 0.00 -0.12 0.00 0.00 29.99 29.83 1pj3 n HIS 3154CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1pj3 s VAL 3155N -3.27 3.15 -0.00 3.57 1.01 -1.26 -4.63 120.40 118.96 1pj3 s VAL 3155Ca 0.44 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1pj3 s VAL 3155Cb 0.26 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1pj3 s VAL 3155CO -0.10 0.18 0.02 0.29 0.00 0.00 0.00 175.10 175.49 1pj3 n LYS 3156N 2.09 0.36 -3.79 2.72 4.76 0.52 -4.90 118.16 119.93 1pj3 n LYS 3156Ca 0.04 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 1pj3 n LYS 3156Cb 0.43 -1.00 -0.15 0.00 -1.84 0.00 0.00 35.03 32.47 1pj3 n LYS 3156CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pj3 s ALA 3157N -2.01 0.02 -0.03 7.82 0.00 -0.66 -1.98 121.76 124.91 1pj3 s ALA 3157Ca -0.00 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.27 1pj3 s ALA 3157Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1pj3 s ALA 3157CO 0.04 -0.09 -0.16 0.08 0.00 0.00 0.00 175.76 175.63 1pj3 s VAL 3158N 0.80 1.33 -0.17 0.00 1.01 0.19 -0.09 120.40 123.48 1pj3 s VAL 3158Ca -0.07 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1pj3 s VAL 3158Cb -0.09 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1pj3 s VAL 3158CO -0.02 0.38 -0.14 -0.69 0.00 0.00 0.00 175.10 174.62 1pj3 s VAL 3159N -0.10 1.70 0.06 2.92 1.01 -1.03 0.11 120.40 125.06 1pj3 s VAL 3159Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1pj3 s VAL 3159Cb -0.09 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1pj3 s VAL 3159CO 0.01 0.40 -0.23 0.54 0.00 0.00 0.00 175.10 175.82 1pj3 s VAL 3160N 1.42 1.88 0.09 2.92 0.11 -0.30 -0.82 120.40 125.70 1pj3 s VAL 3160Ca 0.03 -1.35 -0.04 0.00 -2.93 0.00 0.00 61.98 57.69 1pj3 s VAL 3160Cb -0.14 -1.63 -0.02 0.00 -1.53 0.00 0.00 36.38 33.05 1pj3 s VAL 3160CO -0.10 0.22 0.09 0.28 -3.33 0.00 0.00 175.10 172.26 1pj3 s THR 3161N -0.86 0.15 -0.31 5.04 -1.32 -0.89 -0.63 115.64 116.82 1pj3 s THR 3161Ca 0.09 -1.59 0.03 0.00 -1.21 0.00 0.00 61.69 59.01 1pj3 s THR 3161Cb -0.09 -1.62 0.08 0.00 -1.51 0.00 0.00 72.50 69.35 1pj3 s THR 3161CO 0.02 -0.69 1.00 -0.90 -2.21 0.00 0.00 174.62 171.84 1pj3 n ASP 3162N -0.03 2.11 -1.98 8.08 5.75 -1.26 -0.69 116.55 128.53 1pj3 n ASP 3162Ca -0.12 -1.85 -0.21 0.00 -0.01 0.00 0.00 54.79 52.60 1pj3 n ASP 3162Cb 0.62 -0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.60 1pj3 n ASP 3162CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pj3 n GLY 3163N -0.12 0.82 0.07 6.12 0.00 -1.26 -4.60 105.19 106.22 1pj3 n GLY 3163Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1pj3 n GLY 3163CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pj3 h GLU 3164N 0.00 0.00 -2.11 1.61 4.81 -1.83 -1.06 114.58 116.00 1pj3 h GLU 3164Ca -0.46 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.19 1pj3 h GLU 3164Cb 1.37 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.35 1pj3 h GLU 3164CO 0.61 0.81 -0.94 -2.13 -0.73 0.00 0.00 179.01 176.64 1pj3 n ARG 3165N -3.25 1.23 -2.52 1.92 0.63 -0.87 -2.08 116.66 111.72 1pj3 n ARG 3165Ca -0.04 -3.67 -0.43 0.00 -0.92 0.00 0.00 57.85 52.78 1pj3 n ARG 3165Cb 0.95 -1.57 -0.02 0.00 0.45 0.00 0.00 32.46 32.26 1pj3 n ARG 3165CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1pj3 s ILE 3166N -1.48 4.10 0.00 5.15 -1.09 0.02 -4.53 121.20 123.36 1pj3 s ILE 3166Ca 0.36 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 1pj3 s ILE 3166Cb 0.15 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1pj3 s ILE 3166CO -0.09 -0.97 0.00 0.18 -1.23 0.00 0.00 174.94 172.83 1pj3 n LEU 3167N 8.21 0.00 -1.67 2.97 4.77 -1.26 -0.20 117.00 129.82 1pj3 n LEU 3167Ca 0.13 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.18 1pj3 n LEU 3167Cb 0.49 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.95 1pj3 n LEU 3167CO 0.72 0.00 0.84 0.61 -1.33 0.00 0.00 177.39 178.22 1pj3 n GLY 3168N 0.00 3.22 0.04 -0.72 0.00 0.15 -4.31 105.19 103.56 1pj3 n GLY 3168Ca 0.00 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.19 1pj3 n GLY 3168CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 3169N 0.40 0.70 0.00 0.99 4.77 0.72 -4.85 117.00 119.73 1pj3 n LEU 3169Ca 0.26 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1pj3 n LEU 3169Cb 1.13 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1pj3 n LEU 3169CO 0.29 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1pj3 n GLY 3170N 1.48 -0.69 3.59 -0.72 0.00 -1.14 -4.83 105.19 102.89 1pj3 n GLY 3170Ca 0.06 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1pj3 n GLY 3170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pj3 s ASP 3171N -4.00 6.18 0.00 1.61 -1.08 -0.88 -0.79 116.67 117.70 1pj3 s ASP 3171Ca 0.00 0.83 0.01 0.00 -0.52 0.00 0.00 52.55 52.87 1pj3 s ASP 3171Cb 0.00 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.95 1pj3 s ASP 3171CO 0.00 -1.56 0.97 0.18 0.52 0.00 0.00 175.17 175.28 1pj3 n LEU 3172N 9.37 1.98 0.00 -1.34 4.77 -0.46 -4.54 117.00 126.77 1pj3 n LEU 3172Ca 0.17 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 1pj3 n LEU 3172Cb 0.48 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1pj3 n LEU 3172CO 0.70 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 1pj3 n GLY 3173N -0.36 2.60 0.31 -0.72 0.00 -0.84 -0.99 105.19 105.19 1pj3 n GLY 3173Ca 0.01 -0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.13 1pj3 n GLY 3173CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pj3 h VAL 3174N 0.00 0.00 0.00 1.61 2.07 -1.89 0.16 116.25 118.20 1pj3 h VAL 3174Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1pj3 h VAL 3174Cb 0.00 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1pj3 h VAL 3174CO 0.00 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 1pj3 n TYR 3175N -2.99 0.45 -1.58 1.57 0.53 -0.16 -4.67 117.16 110.32 1pj3 n TYR 3175Ca -0.02 0.19 -0.42 0.00 -1.02 0.00 0.00 57.90 56.63 1pj3 n TYR 3175Cb 0.12 -0.80 -0.03 0.00 -1.03 0.00 0.00 39.34 37.60 1pj3 n TYR 3175CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pj3 n GLY 3176N -0.26 3.22 3.64 2.72 0.00 0.55 -4.53 105.19 110.53 1pj3 n GLY 3176Ca 0.02 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1pj3 n GLY 3176CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj3 n GLY 3178N 4.52 0.00 0.17 -0.02 0.00 -1.26 -4.18 105.19 104.41 1pj3 n GLY 3178Ca 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 1pj3 n GLY 3178CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj3 h ILE 3179N 0.00 0.53 -0.98 -0.61 1.08 -1.90 -1.99 117.51 113.64 1pj3 h ILE 3179Ca 0.00 -0.95 0.11 0.00 -0.39 0.00 0.00 64.86 63.64 1pj3 h ILE 3179Cb 0.00 0.90 -0.08 0.00 -3.07 0.00 0.00 36.82 34.57 1pj3 h ILE 3179CO 0.00 0.14 0.62 -0.65 -0.69 0.00 0.00 178.15 177.57 1pj3 h PRO 3180N -0.96 0.95 -0.70 2.37 0.11 -1.87 0.85 132.00 132.76 1pj3 h PRO 3180Ca -0.03 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1pj3 h PRO 3180Cb 0.47 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 1pj3 h PRO 3180CO 0.05 0.63 0.43 0.28 -0.21 0.00 0.00 178.00 179.18 1pj3 h VAL 3181N 0.98 1.20 0.16 3.15 2.07 -1.91 -1.21 116.25 120.68 1pj3 h VAL 3181Ca 0.48 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1pj3 h VAL 3181Cb 0.46 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1pj3 h VAL 3181CO -0.24 0.20 -0.08 1.23 0.02 0.00 0.00 177.57 178.70 1pj3 h GLY 3182N 0.95 -0.23 0.45 2.17 0.00 -0.14 -1.94 103.07 104.33 1pj3 h GLY 3182Ca 0.25 0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.76 1pj3 h GLY 3182CO -0.05 -0.08 0.29 0.50 0.00 0.00 0.00 176.54 177.20 1pj3 h LYS 3183N -0.46 0.49 -0.01 4.80 1.79 -0.84 -1.98 116.57 120.36 1pj3 h LYS 3183Ca -0.02 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1pj3 h LYS 3183Cb 0.36 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1pj3 h LYS 3183CO 0.04 0.33 -0.37 -0.07 -1.08 0.00 0.00 179.45 178.29 1pj3 h LEU 3184N 0.51 0.03 -1.37 2.94 3.38 -1.15 -1.76 115.31 117.89 1pj3 h LEU 3184Ca 0.32 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 1pj3 h LEU 3184Cb 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1pj3 h LEU 3184CO -0.28 0.40 -0.26 0.00 0.09 0.00 0.00 178.44 178.39 1pj3 h LEU 3186N 0.08 0.00 -0.57 0.00 3.38 -1.00 0.00 115.31 117.19 1pj3 h LEU 3186Ca 0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1pj3 h LEU 3186Cb 0.51 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1pj3 h LEU 3186CO 0.04 0.79 0.28 1.88 0.09 0.00 0.00 178.44 181.51 1pj3 h TYR 3187N 0.00 0.50 0.03 1.13 -1.99 -0.75 0.23 116.97 116.12 1pj3 h TYR 3187Ca -0.01 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 1pj3 h TYR 3187Cb 1.50 -0.14 0.01 0.00 2.00 0.00 0.00 36.73 40.09 1pj3 h TYR 3187CO 0.00 0.22 -0.24 1.15 -0.00 0.00 0.00 178.16 179.29 1pj3 h THR 3188N 0.52 1.64 -0.22 -2.88 2.02 -1.45 -1.86 112.91 110.69 1pj3 h THR 3188Ca 0.26 -2.20 -0.07 0.00 0.77 0.00 0.00 66.41 65.17 1pj3 h THR 3188Cb 0.21 3.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1pj3 h THR 3188CO -0.20 0.59 -0.16 0.00 0.37 0.00 0.00 175.52 176.13 1pj3 h ALA 3189N 0.12 1.33 0.04 6.16 0.00 -0.89 -1.72 119.26 124.31 1pj3 h ALA 3189Ca -0.04 -0.26 -0.33 0.00 0.00 0.00 0.00 54.91 54.28 1pj3 h ALA 3189Cb 1.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1pj3 h ALA 3189CO 0.05 0.45 -1.82 0.00 0.00 0.00 0.00 179.25 177.93 1pj3 n ALA 3191N -3.43 2.44 -2.08 0.00 0.00 -0.72 -4.28 120.51 112.44 1pj3 n ALA 3191Ca -0.37 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.25 1pj3 n ALA 3191Cb 0.85 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 1pj3 n ALA 3191CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 3192N 0.76 0.11 3.74 0.00 0.00 -0.64 -4.76 105.19 104.40 1pj3 n GLY 3192Ca 0.09 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1pj3 n GLY 3192CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pj3 s ILE 3193N -2.59 4.01 0.10 -0.61 1.01 -1.10 0.56 121.20 122.59 1pj3 s ILE 3193Ca 0.00 1.80 -0.32 0.00 0.00 0.00 0.00 60.65 62.12 1pj3 s ILE 3193Cb 0.00 -4.15 -0.12 0.00 0.01 0.00 0.00 42.46 38.21 1pj3 s ILE 3193CO 0.00 0.34 1.79 0.54 0.00 0.00 0.00 174.94 177.61 1pj3 n ARG 3194N 2.18 2.58 -0.08 2.79 1.74 -1.26 -4.06 116.66 120.55 1pj3 n ARG 3194Ca 0.01 0.94 -0.07 0.00 -0.77 0.00 0.00 57.85 57.96 1pj3 n ARG 3194Cb 0.47 -2.80 -0.00 0.00 -1.02 0.00 0.00 32.46 29.11 1pj3 n ARG 3194CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1pj3 h PRO 3195N 8.08 0.24 0.00 5.56 0.11 -1.95 -2.13 132.00 141.91 1pj3 h PRO 3195Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pj3 h PRO 3195Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pj3 h PRO 3195CO 0.94 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.49 1pj3 n ASP 3196N -5.02 0.00 -0.58 -2.05 5.75 -1.26 -1.23 116.55 112.16 1pj3 n ASP 3196Ca -0.00 0.09 0.05 0.00 -0.01 0.00 0.00 54.79 54.92 1pj3 n ASP 3196Cb 0.10 -0.21 0.14 0.00 -1.03 0.00 0.00 41.12 40.12 1pj3 n ASP 3196CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pj3 n ARG 3197N -1.21 2.85 -4.41 0.11 1.74 -0.80 -4.68 116.66 110.26 1pj3 n ARG 3197Ca 0.03 -1.99 -0.34 0.00 -0.77 0.00 0.00 57.85 54.78 1pj3 n ARG 3197Cb 0.04 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.14 1pj3 n ARG 3197CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj3 s LEU 3199N -1.04 1.28 0.17 0.00 2.96 0.88 -4.98 118.68 117.95 1pj3 s LEU 3199Ca 0.15 -1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 52.75 1pj3 s LEU 3199Cb -0.11 -0.61 -0.07 0.00 0.50 0.00 0.00 46.19 45.90 1pj3 s LEU 3199CO 0.04 -0.34 0.99 -2.84 -1.32 0.00 0.00 176.35 172.88 1pj3 s PRO 3200N 1.85 4.72 -0.01 0.98 0.02 -1.26 -2.47 135.00 138.82 1pj3 s PRO 3200Ca 0.02 1.54 0.02 0.00 0.02 0.00 0.00 61.00 62.60 1pj3 s PRO 3200Cb -0.17 -3.32 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 1pj3 s PRO 3200CO -0.14 0.26 -0.07 0.08 -0.33 0.00 0.00 177.00 176.80 1pj3 s VAL 3201N -0.42 0.55 -0.12 3.83 1.01 -0.00 -0.90 120.40 124.36 1pj3 s VAL 3201Ca 0.46 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1pj3 s VAL 3201Cb -0.26 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.67 1pj3 s VAL 3201CO 0.32 0.16 -0.16 0.00 0.00 0.00 0.00 175.10 175.42 1pj3 s ILE 3203N 1.07 5.20 -0.38 0.00 -1.09 0.13 -1.23 121.20 124.90 1pj3 s ILE 3203Ca -0.04 0.54 -0.05 0.00 -2.23 0.00 0.00 60.65 58.86 1pj3 s ILE 3203Cb -0.15 -3.68 0.08 0.00 -1.58 0.00 0.00 42.46 37.13 1pj3 s ILE 3203CO -0.04 0.19 0.16 -0.62 -1.23 0.00 0.00 174.94 173.41 1pj3 s ASP 3204N 1.53 5.31 -0.09 3.58 2.15 0.17 -4.39 116.67 124.94 1pj3 s ASP 3204Ca 0.14 -1.58 0.12 0.00 0.43 0.00 0.00 52.55 51.67 1pj3 s ASP 3204Cb -0.16 -1.86 0.25 0.00 -0.30 0.00 0.00 42.92 40.85 1pj3 s ASP 3204CO 0.09 -0.45 1.16 1.33 -0.17 0.00 0.00 175.17 177.13 1pj3 n VAL 3205N 4.73 1.60 0.00 1.11 0.24 -1.26 -0.66 118.33 124.09 1pj3 n VAL 3205Ca -0.08 -1.69 0.00 0.00 -2.04 0.00 0.00 64.34 60.52 1pj3 n VAL 3205Cb 0.43 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1pj3 n VAL 3205CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj3 n GLY 3206N -0.80 -1.55 3.29 7.63 0.00 -1.26 -1.39 105.19 111.11 1pj3 n GLY 3206Ca 0.12 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 1pj3 n GLY 3206CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pj3 s THR 3207N -0.78 0.03 -2.51 2.61 -1.32 -0.43 -4.50 115.64 108.74 1pj3 s THR 3207Ca 0.00 -0.29 0.23 0.00 -1.21 0.00 0.00 61.69 60.43 1pj3 s THR 3207Cb 0.00 -0.65 0.41 0.00 -1.51 0.00 0.00 72.50 70.75 1pj3 s THR 3207CO 0.00 -0.16 1.42 0.47 -2.21 0.00 0.00 174.62 174.14 1pj3 n ASP 3208N 1.67 3.13 -4.57 8.08 8.00 -1.26 -3.80 116.55 127.80 1pj3 n ASP 3208Ca -0.19 -1.95 -0.41 0.00 0.71 0.00 0.00 54.79 52.95 1pj3 n ASP 3208Cb 0.56 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1pj3 n ASP 3208CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1pj3 s ASN 3209N -1.56 5.88 0.35 -2.24 3.84 -1.26 -4.86 114.94 115.08 1pj3 s ASN 3209Ca 0.37 0.43 0.04 0.00 0.21 0.00 0.00 52.86 53.91 1pj3 s ASN 3209Cb 0.22 -2.54 0.68 0.00 -0.55 0.00 0.00 41.25 39.06 1pj3 s ASN 3209CO 0.31 -1.88 1.95 0.40 -2.79 0.00 0.00 177.10 175.08 1pj3 h ILE 3210N 6.56 1.03 -0.45 -5.21 1.08 -1.95 -2.12 117.51 116.45 1pj3 h ILE 3210Ca -0.28 -0.28 -0.06 0.00 -0.39 0.00 0.00 64.86 63.85 1pj3 h ILE 3210Cb 1.12 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1pj3 h ILE 3210CO 1.17 0.15 0.02 0.00 -0.69 0.00 0.00 178.15 178.80 1pj3 h ALA 3211N 1.58 1.19 -0.04 1.87 0.00 -1.99 -2.93 119.26 118.94 1pj3 h ALA 3211Ca 0.33 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1pj3 h ALA 3211Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pj3 h ALA 3211CO -0.12 0.53 -0.73 -0.07 0.00 0.00 0.00 179.25 178.87 1pj3 h LEU 3212N 0.68 0.28 -2.07 0.00 3.38 -1.79 -3.01 115.31 112.78 1pj3 h LEU 3212Ca 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pj3 h LEU 3212Cb 0.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1pj3 h LEU 3212CO 0.01 0.91 0.00 -0.07 0.09 0.00 0.00 178.44 179.39 1pj3 h LEU 3213N 0.15 0.00 -2.55 1.67 3.38 -1.29 -1.35 115.31 115.33 1pj3 h LEU 3213Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pj3 h LEU 3213Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1pj3 h LEU 3213CO 0.11 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.93 1pj3 n LYS 3214N -2.93 2.38 -3.07 1.13 2.85 -1.17 -4.94 118.16 112.42 1pj3 n LYS 3214Ca -0.01 -1.96 -0.41 0.00 -1.05 0.00 0.00 58.31 54.87 1pj3 n LYS 3214Cb 0.17 -1.31 -0.06 0.00 -0.65 0.00 0.00 35.03 33.18 1pj3 n LYS 3214CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1pj3 s ASP 3215N -1.03 6.54 0.30 -5.58 -1.08 -0.51 -4.93 116.67 110.38 1pj3 s ASP 3215Ca 0.25 0.49 0.23 0.00 -0.52 0.00 0.00 52.55 53.00 1pj3 s ASP 3215Cb 0.14 -2.35 1.09 0.00 -1.46 0.00 0.00 42.92 40.34 1pj3 s ASP 3215CO 0.19 -0.52 1.69 -0.81 0.52 0.00 0.00 175.17 176.24 1pj3 n PRO 3216N 5.97 0.17 0.00 4.34 -0.04 -1.26 -1.71 135.00 142.47 1pj3 n PRO 3216Ca 0.00 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 1pj3 n PRO 3216Cb 0.49 -1.92 0.05 0.00 -0.04 0.00 0.00 33.50 32.07 1pj3 n PRO 3216CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pj3 n PHE 3217N -2.26 0.00 0.00 0.54 3.72 -1.26 -5.17 117.46 113.02 1pj3 n PHE 3217Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1pj3 n PHE 3217Cb 0.13 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1pj3 n PHE 3217CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1pj3 n TYR 3218N 0.65 -0.75 0.00 1.38 -0.00 -0.69 -4.50 117.16 113.24 1pj3 n TYR 3218Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 1pj3 n TYR 3218Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1pj3 n TYR 3218CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pj3 n GLY 3220N 0.00 0.00 3.75 2.98 0.00 -1.26 -5.06 105.19 105.61 1pj3 n GLY 3220Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pj3 n GLY 3220CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj3 s LEU 3221N 0.00 4.48 -1.25 0.99 1.02 -1.26 -4.94 118.68 117.72 1pj3 s LEU 3221Ca 0.00 2.36 -0.14 0.00 0.02 0.00 0.00 54.13 56.37 1pj3 s LEU 3221Cb 0.00 -3.62 0.15 0.00 0.02 0.00 0.00 46.19 42.73 1pj3 s LEU 3221CO 0.00 -0.32 1.61 -1.22 0.02 0.00 0.00 176.35 176.44 1pj3 n TYR 3222N 1.63 4.47 -3.47 0.29 4.02 -1.26 -4.59 117.16 118.26 1pj3 n TYR 3222Ca 0.01 -3.15 -0.14 0.00 -0.01 0.00 0.00 57.90 54.62 1pj3 n TYR 3222Cb 0.44 -2.24 -0.03 0.00 -0.02 0.00 0.00 39.34 37.49 1pj3 n TYR 3222CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1pj3 s GLN 3223N 1.87 1.19 0.96 -0.72 -2.07 -1.26 -5.09 119.66 114.54 1pj3 s GLN 3223Ca 0.44 -0.24 -0.12 0.00 -1.82 0.00 0.00 55.36 53.62 1pj3 s GLN 3223Cb 0.02 0.55 0.17 0.00 -1.09 0.00 0.00 33.01 32.66 1pj3 s GLN 3223CO 0.01 -0.48 1.09 0.15 -1.32 0.00 0.00 175.29 174.74 1pj3 s LYS 3224N -2.89 0.70 0.26 9.60 -0.14 -1.25 -1.31 119.74 124.70 1pj3 s LYS 3224Ca -0.03 0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 55.06 1pj3 s LYS 3224Cb -0.01 -1.75 -0.11 0.00 -1.68 0.00 0.00 37.83 34.29 1pj3 s LYS 3224CO -0.05 -2.61 1.51 1.03 -0.76 0.00 0.00 175.35 174.47 1pj3 s ARG 3225N -4.86 4.20 -0.43 1.68 0.52 -1.25 -4.22 118.95 114.60 1pj3 s ARG 3225Ca 0.65 2.42 -0.26 0.00 -0.52 0.00 0.00 55.73 58.01 1pj3 s ARG 3225Cb -0.19 -3.08 0.02 0.00 0.52 0.00 0.00 34.95 32.22 1pj3 s ARG 3225CO 0.58 -0.52 0.98 0.34 0.02 0.00 0.00 175.30 176.70 1pj3 s ASP 3226N 0.46 6.60 -0.07 0.23 -1.08 -0.49 -4.87 116.67 117.45 1pj3 s ASP 3226Ca 0.62 0.38 0.15 0.00 -0.52 0.00 0.00 52.55 53.17 1pj3 s ASP 3226Cb -0.44 -2.48 0.49 0.00 -1.46 0.00 0.00 42.92 39.02 1pj3 s ASP 3226CO 0.44 -1.03 1.41 0.54 0.52 0.00 0.00 175.17 177.05 1pj3 n ARG 3227N 7.18 3.10 -1.16 4.34 1.74 -1.26 -4.51 116.66 126.08 1pj3 n ARG 3227Ca 0.08 -2.50 -0.18 0.00 -0.77 0.00 0.00 57.85 54.48 1pj3 n ARG 3227Cb 0.48 -1.59 0.13 0.00 -1.02 0.00 0.00 32.46 30.46 1pj3 n ARG 3227CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1pj3 n THR 3228N 0.45 0.00 0.33 0.55 -2.24 -1.26 -4.87 114.28 107.24 1pj3 n THR 3228Ca 0.18 -0.60 0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1pj3 n THR 3228Cb 0.67 -1.70 1.15 0.00 -2.10 0.00 0.00 70.33 68.35 1pj3 n THR 3228CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pj3 h GLN 3229N 0.00 0.00 0.00 -0.78 5.75 -2.01 -1.58 115.11 116.49 1pj3 h GLN 3229Ca -0.26 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1pj3 h GLN 3229Cb 0.72 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.27 1pj3 h GLN 3229CO 0.19 0.00 -0.02 1.96 -2.65 0.00 0.00 178.83 178.30 1pj3 h GLN 3230N 0.00 0.00 0.16 1.69 4.20 -1.93 -0.33 115.11 118.90 1pj3 h GLN 3230Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1pj3 h GLN 3230Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1pj3 h GLN 3230CO 0.00 0.02 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.19 1pj3 h TYR 3231N 0.00 -0.19 -0.32 2.96 3.20 -1.51 -1.33 116.97 119.77 1pj3 h TYR 3231Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1pj3 h TYR 3231Cb 0.05 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1pj3 h TYR 3231CO 0.00 0.09 0.02 -0.44 -1.64 0.00 0.00 178.16 176.19 1pj3 h ASP 3232N -0.48 0.45 -0.20 -2.11 3.45 -1.53 -2.23 116.42 113.77 1pj3 h ASP 3232Ca -0.02 -0.08 -0.09 0.00 0.43 0.00 0.00 57.03 57.27 1pj3 h ASP 3232Cb 0.37 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.01 1pj3 h ASP 3232CO 0.03 0.51 -0.17 0.44 -1.57 0.00 0.00 179.24 178.48 1pj3 h ASP 3233N 0.47 0.62 -0.18 6.45 3.45 -0.95 -1.82 116.42 124.46 1pj3 h ASP 3233Ca 0.11 -0.19 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 1pj3 h ASP 3233Cb 0.28 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.88 1pj3 h ASP 3233CO 0.01 0.80 -0.07 0.25 -1.57 0.00 0.00 179.24 178.65 1pj3 h LEU 3234N 0.56 0.38 -1.13 1.55 5.85 -0.67 -1.37 115.31 120.48 1pj3 h LEU 3234Ca 0.09 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1pj3 h LEU 3234Cb 0.61 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1pj3 h LEU 3234CO 0.04 0.69 0.54 0.40 -0.34 0.00 0.00 178.44 179.78 1pj3 h ILE 3235N 0.07 1.22 -0.45 4.05 1.08 -1.32 0.42 117.51 122.58 1pj3 h ILE 3235Ca 0.04 -0.44 -0.07 0.00 -0.39 0.00 0.00 64.86 64.01 1pj3 h ILE 3235Cb 0.54 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 1pj3 h ILE 3235CO 0.02 0.22 0.02 0.44 -0.69 0.00 0.00 178.15 178.17 1pj3 h ASP 3236N 1.16 0.76 -0.09 1.72 3.45 -1.19 -2.73 116.42 119.50 1pj3 h ASP 3236Ca 0.31 -0.29 -0.07 0.00 0.43 0.00 0.00 57.03 57.40 1pj3 h ASP 3236Cb -0.10 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.45 1pj3 h ASP 3236CO -0.06 0.87 -0.14 -0.08 -1.57 0.00 0.00 179.24 178.25 1pj3 h GLU 3237N 0.63 0.44 -0.58 3.56 4.81 -0.61 -1.58 114.58 121.24 1pj3 h GLU 3237Ca 0.13 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1pj3 h GLU 3237Cb 0.47 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1pj3 h GLU 3237CO 0.02 0.57 0.00 0.34 -0.73 0.00 0.00 179.01 179.21 1pj3 n PHE 3238N -4.21 0.00 0.00 0.92 7.35 0.08 -1.12 117.46 120.49 1pj3 n PHE 3238Ca 0.00 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1pj3 n PHE 3238Cb 0.32 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.09 1pj3 n PHE 3238CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1pj3 n LYS 3240N 0.37 0.00 -0.16 -4.13 4.81 -0.60 -1.33 118.16 117.13 1pj3 n LYS 3240Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1pj3 n LYS 3240Cb 0.12 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.17 1pj3 n LYS 3240CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pj3 h ALA 3241N 0.00 0.61 -0.25 3.14 0.00 -1.38 0.17 119.26 121.55 1pj3 h ALA 3241Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1pj3 h ALA 3241Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1pj3 h ALA 3241CO 0.00 0.25 0.11 0.82 0.00 0.00 0.00 179.25 180.42 1pj3 h ILE 3242N 0.61 1.16 0.00 0.00 1.08 -1.46 -2.32 117.51 116.58 1pj3 h ILE 3242Ca 0.15 -0.47 -0.12 0.00 -0.39 0.00 0.00 64.86 64.04 1pj3 h ILE 3242Cb 0.24 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1pj3 h ILE 3242CO -0.01 0.16 -0.57 0.71 -0.69 0.00 0.00 178.15 177.75 1pj3 h THR 3243N 0.26 1.32 -0.23 -0.27 1.35 -1.73 -0.82 112.91 112.78 1pj3 h THR 3243Ca 0.08 -2.01 -0.08 0.00 -0.55 0.00 0.00 66.41 63.85 1pj3 h THR 3243Cb 0.15 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1pj3 h THR 3243CO -0.01 0.56 -0.20 0.44 -0.25 0.00 0.00 175.52 176.06 1pj3 h ASP 3244N 0.00 0.40 0.15 5.36 3.32 -0.46 0.51 116.42 125.71 1pj3 h ASP 3244Ca -0.01 -0.12 -0.36 0.00 0.02 0.00 0.00 57.03 56.57 1pj3 h ASP 3244Cb 1.07 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1pj3 h ASP 3244CO 0.07 0.62 -1.96 -0.09 -1.72 0.00 0.00 179.24 176.16 1pj3 h ARG 3245N 0.37 0.26 -0.00 3.56 2.43 -1.26 -3.41 114.38 116.33 1pj3 h ARG 3245Ca 0.06 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1pj3 h ARG 3245Cb 0.57 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1pj3 h ARG 3245CO 0.04 1.18 -0.70 0.66 -1.51 0.00 0.00 179.97 179.64 1pj3 n TYR 3246N -3.47 0.00 0.00 2.20 0.53 -0.33 -5.03 117.16 111.06 1pj3 n TYR 3246Ca -0.30 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.58 1pj3 n TYR 3246Cb 1.05 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.36 1pj3 n TYR 3246CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pj3 n GLY 3247N 1.35 3.29 0.28 2.72 0.00 0.17 -4.73 105.19 108.26 1pj3 n GLY 3247Ca 0.03 -1.77 0.17 0.00 0.00 0.00 0.00 46.02 44.46 1pj3 n GLY 3247CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pj3 h ARG 3248N 0.00 0.00 -0.60 1.61 2.43 -1.93 -2.77 114.38 113.12 1pj3 h ARG 3248Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pj3 h ARG 3248Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1pj3 h ARG 3248CO 0.00 0.01 0.00 0.27 -1.51 0.00 0.00 179.97 178.74 1pj3 n ASN 3249N -3.11 3.52 -4.70 -3.80 6.94 -1.26 -3.99 115.26 108.86 1pj3 n ASN 3249Ca 0.01 -2.21 -0.42 0.00 -0.02 0.00 0.00 54.58 51.93 1pj3 n ASN 3249Cb 0.31 -0.46 -0.03 0.00 -2.36 0.00 0.00 39.78 37.24 1pj3 n ASN 3249CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1pj3 s THR 3250N -1.57 2.68 0.01 5.53 2.01 -1.04 -4.80 115.64 118.45 1pj3 s THR 3250Ca 0.39 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.38 1pj3 s THR 3250Cb 0.23 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 1pj3 s THR 3250CO 0.22 0.01 1.35 -0.22 -0.69 0.00 0.00 174.62 175.29 1pj3 s LEU 3251N 2.18 4.32 -0.27 4.42 2.96 -0.84 -4.24 118.68 127.21 1pj3 s LEU 3251Ca 0.75 2.08 0.03 0.00 -0.22 0.00 0.00 54.13 56.76 1pj3 s LEU 3251Cb -0.44 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 42.75 1pj3 s LEU 3251CO 0.33 -0.67 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.97 1pj3 s ILE 3252N 2.17 2.26 -0.31 6.68 -1.09 0.16 -0.64 121.20 130.43 1pj3 s ILE 3252Ca 0.62 -1.65 -0.12 0.00 -2.23 0.00 0.00 60.65 57.27 1pj3 s ILE 3252Cb -0.31 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.20 1pj3 s ILE 3252CO 0.26 -0.06 0.22 -1.58 -1.23 0.00 0.00 174.94 172.54 1pj3 s GLN 3253N 1.11 3.71 0.12 2.79 0.74 0.12 -2.31 119.66 125.93 1pj3 s GLN 3253Ca -0.08 -0.49 -0.27 0.00 0.05 0.00 0.00 55.36 54.57 1pj3 s GLN 3253Cb -0.20 -3.74 -0.07 0.00 1.10 0.00 0.00 33.01 30.11 1pj3 s GLN 3253CO -0.05 -0.32 0.84 -0.06 -0.55 0.00 0.00 175.29 175.16 1pj3 s PHE 3254N 1.74 3.84 -0.04 1.67 0.40 -0.17 -1.15 117.98 124.28 1pj3 s PHE 3254Ca 0.07 1.66 -0.01 0.00 -0.60 0.00 0.00 56.93 58.05 1pj3 s PHE 3254Cb -0.17 -2.89 0.03 0.00 0.51 0.00 0.00 43.02 40.51 1pj3 s PHE 3254CO 0.11 0.35 0.07 -2.00 0.70 0.00 0.00 175.22 174.44 1pj3 s GLU 3255N -0.48 -0.01 -1.41 0.44 2.56 0.20 -1.96 118.70 118.03 1pj3 s GLU 3255Ca 0.40 0.27 -0.09 0.00 0.00 0.00 0.00 54.97 55.55 1pj3 s GLU 3255Cb -0.23 -0.26 0.04 0.00 2.00 0.00 0.00 34.13 35.68 1pj3 s GLU 3255CO 0.27 -0.19 1.04 -0.25 -0.56 0.00 0.00 175.26 175.57 1pj3 n ASP 3256N 4.36 -4.89 -4.93 -1.70 9.92 -1.26 -4.05 116.55 114.00 1pj3 n ASP 3256Ca -0.24 -0.67 -0.26 0.00 -0.53 0.00 0.00 54.79 53.09 1pj3 n ASP 3256Cb 0.50 -4.49 0.02 0.00 -0.64 0.00 0.00 41.12 36.52 1pj3 n ASP 3256CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pj3 s PHE 3257N -3.35 3.27 0.78 1.24 0.40 -1.26 -2.06 117.98 117.00 1pj3 s PHE 3257Ca 0.51 0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 57.27 1pj3 s PHE 3257Cb -0.24 -2.59 0.07 0.00 0.51 0.00 0.00 43.02 40.76 1pj3 s PHE 3257CO 0.78 -0.66 1.11 0.20 0.70 0.00 0.00 175.22 177.35 1pj3 s GLY 3258N -4.27 1.78 0.27 4.36 0.00 -1.26 -4.41 107.32 103.79 1pj3 s GLY 3258Ca 0.52 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.64 1pj3 s GLY 3258CO 0.43 0.76 1.76 -0.57 0.00 0.00 0.00 173.10 175.48 1pj3 h ASN 3259N -1.07 0.54 0.56 1.64 -0.73 -1.97 0.12 115.58 114.68 1pj3 h ASN 3259Ca -0.44 0.10 -0.03 0.00 1.87 0.00 0.00 56.30 57.80 1pj3 h ASN 3259Cb 1.24 0.01 0.01 0.00 0.27 0.00 0.00 38.32 39.85 1pj3 h ASN 3259CO 0.50 0.20 -0.27 -0.74 -0.37 0.00 0.00 177.43 176.75 1pj3 h HIS 3260N 0.62 -0.69 -0.50 0.67 2.76 -2.02 -3.28 115.15 112.70 1pj3 h HIS 3260Ca 0.49 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.66 1pj3 h HIS 3260Cb 0.73 0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.90 1pj3 h HIS 3260CO -0.08 -0.37 0.33 -0.91 -1.30 0.00 0.00 177.93 175.60 1pj3 h ASN 3261N -1.07 0.55 0.57 3.26 -0.26 -1.90 -3.00 115.58 113.73 1pj3 h ASN 3261Ca -0.08 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.63 1pj3 h ASN 3261Cb 0.64 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.74 1pj3 h ASN 3261CO 0.13 0.39 -0.50 0.00 -1.06 0.00 0.00 177.43 176.39 1pj3 h ALA 3262N 1.70 -1.18 -0.24 -0.83 0.00 -1.03 -0.63 119.26 117.04 1pj3 h ALA 3262Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1pj3 h ALA 3262Cb -0.03 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1pj3 h ALA 3262CO -0.04 -1.20 0.11 0.74 0.00 0.00 0.00 179.25 178.86 1pj3 h PHE 3263N -1.05 0.36 0.00 0.00 -1.00 -1.62 -2.20 116.94 111.42 1pj3 h PHE 3263Ca -0.07 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.63 1pj3 h PHE 3263Cb 0.89 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 1pj3 h PHE 3263CO -0.22 0.35 -0.26 0.07 -1.61 0.00 0.00 178.31 176.65 1pj3 h ARG 3264N 0.26 0.00 0.09 1.51 0.11 -1.51 -1.00 114.38 113.84 1pj3 h ARG 3264Ca 0.08 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.90 1pj3 h ARG 3264Cb 0.14 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.22 1pj3 h ARG 3264CO -0.01 0.26 -1.16 0.74 0.10 0.00 0.00 179.97 179.90 1pj3 h PHE 3265N 0.00 0.57 -0.12 4.08 0.05 -1.03 -0.77 116.94 119.72 1pj3 h PHE 3265Ca -0.00 -0.38 -0.01 0.00 3.82 0.00 0.00 57.97 61.40 1pj3 h PHE 3265Cb 0.50 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.40 1pj3 h PHE 3265CO 0.00 1.26 0.05 1.25 -0.18 0.00 0.00 178.31 180.68 1pj3 h LEU 3266N 0.13 0.17 -0.66 1.54 5.85 -1.04 -1.47 115.31 119.84 1pj3 h LEU 3266Ca -0.12 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 1pj3 h LEU 3266Cb 1.85 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 1pj3 h LEU 3266CO 0.20 0.29 0.16 -0.09 -0.34 0.00 0.00 178.44 178.65 1pj3 h ARG 3267N 0.04 1.06 -0.52 1.25 2.43 -1.23 -0.24 114.38 117.16 1pj3 h ARG 3267Ca 0.04 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 58.88 1pj3 h ARG 3267Cb 0.17 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1pj3 h ARG 3267CO -0.00 0.95 0.01 -0.22 -1.51 0.00 0.00 179.97 179.19 1pj3 h LYS 3268N 0.99 0.87 0.00 0.20 3.64 -0.97 -3.37 116.57 117.93 1pj3 h LYS 3268Ca 0.21 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pj3 h LYS 3268Cb 0.37 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1pj3 h LYS 3268CO 0.00 0.87 -1.57 0.66 -2.27 0.00 0.00 179.45 177.14 1pj3 n TYR 3269N -4.20 0.00 0.25 1.91 0.53 -0.57 -4.69 117.16 110.39 1pj3 n TYR 3269Ca 0.03 0.00 0.15 0.00 -1.02 0.00 0.00 57.90 57.06 1pj3 n TYR 3269Cb 0.31 -0.29 0.67 0.00 -1.03 0.00 0.00 39.34 39.00 1pj3 n TYR 3269CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1pj3 h ARG 3270N 0.00 0.00 -0.05 -0.72 0.11 -1.19 0.25 114.38 112.77 1pj3 h ARG 3270Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1pj3 h ARG 3270Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1pj3 h ARG 3270CO 0.00 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.46 1pj3 n GLU 3271N -3.04 1.21 -0.09 0.08 1.02 -1.26 -4.42 120.64 114.14 1pj3 n GLU 3271Ca 0.02 -1.45 -0.12 0.00 -0.02 0.00 0.00 57.16 55.59 1pj3 n GLU 3271Cb 0.58 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 30.62 1pj3 n GLU 3271CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pj3 n LYS 3272N 0.85 0.57 -4.56 3.49 4.76 0.66 -5.05 118.16 118.88 1pj3 n LYS 3272Ca 0.09 0.09 -0.26 0.00 -2.87 0.00 0.00 58.31 55.36 1pj3 n LYS 3272Cb 0.39 -1.35 -0.09 0.00 -1.84 0.00 0.00 35.03 32.14 1pj3 n LYS 3272CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1pj3 s TYR 3273N -2.35 1.93 -1.01 2.13 1.51 -0.03 -5.04 117.35 114.50 1pj3 s TYR 3273Ca -0.22 -1.05 -0.15 0.00 -1.01 0.00 0.00 57.07 54.64 1pj3 s TYR 3273Cb 0.06 -1.36 0.18 0.00 -0.11 0.00 0.00 41.96 40.72 1pj3 s TYR 3273CO 0.42 -0.01 1.15 0.00 -1.11 0.00 0.00 175.55 175.99 1pj3 s THR 3275N 1.43 0.32 0.09 0.00 -1.32 -1.26 -0.66 115.64 114.24 1pj3 s THR 3275Ca 0.33 -1.65 -0.21 0.00 -1.21 0.00 0.00 61.69 58.95 1pj3 s THR 3275Cb -0.06 -1.29 0.05 0.00 -1.51 0.00 0.00 72.50 69.69 1pj3 s THR 3275CO -0.06 -0.85 0.51 0.72 -2.21 0.00 0.00 174.62 172.72 1pj3 s PHE 3276N -3.30 -0.40 -0.31 9.09 -0.12 -0.98 -4.57 117.98 117.40 1pj3 s PHE 3276Ca 0.03 0.29 -0.09 0.00 -0.05 0.00 0.00 56.93 57.12 1pj3 s PHE 3276Cb 0.03 0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.80 1pj3 s PHE 3276CO -0.07 -0.71 0.13 1.21 -0.05 0.00 0.00 175.22 175.74 1pj3 s ASN 3277N -2.36 5.41 0.41 1.98 3.84 -1.26 -0.99 114.94 121.96 1pj3 s ASN 3277Ca -0.02 -0.63 0.08 0.00 0.21 0.00 0.00 52.86 52.50 1pj3 s ASN 3277Cb -0.00 -1.96 0.86 0.00 -0.55 0.00 0.00 41.25 39.60 1pj3 s ASN 3277CO -0.07 -0.21 2.04 -0.78 -2.79 0.00 0.00 177.10 175.29 1pj3 h ASP 3278N 8.31 0.48 -0.38 -4.21 3.58 -1.76 -0.84 116.42 121.61 1pj3 h ASP 3278Ca -0.31 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 56.97 1pj3 h ASP 3278Cb 1.14 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 1pj3 h ASP 3278CO 0.61 0.34 -0.39 0.44 -2.88 0.00 0.00 179.24 177.36 1pj3 h ASP 3279N 0.57 1.01 0.00 2.28 3.32 -1.94 -0.36 116.42 121.29 1pj3 h ASP 3279Ca 0.18 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1pj3 h ASP 3279Cb 0.04 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1pj3 h ASP 3279CO -0.04 1.27 -0.00 0.40 -1.72 0.00 0.00 179.24 179.14 1pj3 h ILE 3280N 0.77 0.00 0.22 0.35 2.04 -1.70 -3.36 117.51 115.82 1pj3 h ILE 3280Ca 0.06 -0.98 -0.33 0.00 1.00 0.00 0.00 64.86 64.62 1pj3 h ILE 3280Cb 0.99 0.00 0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1pj3 h ILE 3280CO 0.10 0.00 -1.48 1.56 0.00 0.00 0.00 178.15 178.33 1pj3 h GLN 3281N -0.98 0.46 -0.42 2.37 4.20 -1.29 -3.07 115.11 116.38 1pj3 h GLN 3281Ca 0.00 -0.79 -0.11 0.00 0.06 0.00 0.00 58.65 57.81 1pj3 h GLN 3281Cb 0.00 0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1pj3 h GLN 3281CO 0.00 1.37 -0.17 0.78 -0.67 0.00 0.00 178.83 180.14 1pj3 h GLY 3282N 0.57 0.93 1.02 3.46 0.00 -1.15 -2.77 103.07 105.13 1pj3 h GLY 3282Ca -0.25 -0.82 -0.08 0.00 0.00 0.00 0.00 47.33 46.19 1pj3 h GLY 3282CO 0.25 0.74 0.03 -0.84 0.00 0.00 0.00 176.54 176.72 1pj3 h THR 3283N 0.68 1.26 -0.44 4.70 2.02 -1.59 -2.71 112.91 116.83 1pj3 h THR 3283Ca 0.10 -1.05 0.08 0.00 0.77 0.00 0.00 66.41 66.30 1pj3 h THR 3283Cb 0.73 0.89 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 1pj3 h THR 3283CO 0.06 0.38 0.02 0.00 0.37 0.00 0.00 175.52 176.34 1pj3 h ALA 3284N 0.96 0.42 -0.45 6.16 0.00 -1.45 0.11 119.26 125.02 1pj3 h ALA 3284Ca 0.15 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1pj3 h ALA 3284Cb 0.49 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1pj3 h ALA 3284CO 0.02 -0.38 0.29 0.00 0.00 0.00 0.00 179.25 179.19 1pj3 h ALA 3285N 1.38 0.57 -0.05 0.00 0.00 -1.31 -0.15 119.26 119.70 1pj3 h ALA 3285Ca 0.22 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 1pj3 h ALA 3285Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1pj3 h ALA 3285CO -0.35 0.01 -0.72 -0.24 0.00 0.00 0.00 179.25 177.95 1pj3 h VAL 3286N 0.60 1.42 0.04 0.00 3.04 -1.13 -1.64 116.25 118.57 1pj3 h VAL 3286Ca 0.17 -2.22 -0.00 0.00 -1.01 0.00 0.00 66.70 63.64 1pj3 h VAL 3286Cb -0.05 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1pj3 h VAL 3286CO -0.05 0.65 -0.02 0.00 -1.01 0.00 0.00 177.57 177.15 1pj3 h ALA 3287N 1.06 -0.05 -0.47 3.17 0.00 -0.58 -2.13 119.26 120.26 1pj3 h ALA 3287Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pj3 h ALA 3287Cb 1.28 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1pj3 h ALA 3287CO 0.11 -0.37 0.31 1.25 0.00 0.00 0.00 179.25 180.55 1pj3 h LEU 3288N -0.36 0.54 -1.04 0.00 5.85 -1.03 -1.40 115.31 117.88 1pj3 h LEU 3288Ca -0.00 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1pj3 h LEU 3288Cb 0.33 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1pj3 h LEU 3288CO 0.01 0.40 -0.14 0.00 -0.34 0.00 0.00 178.44 178.36 1pj3 h ALA 3289N 1.70 1.19 -0.23 1.25 0.00 -1.09 0.82 119.26 122.91 1pj3 h ALA 3289Ca 0.17 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1pj3 h ALA 3289Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1pj3 h ALA 3289CO -0.04 0.52 -0.60 0.78 0.00 0.00 0.00 179.25 179.91 1pj3 h GLY 3290N 0.95 0.84 1.52 0.00 0.00 -0.60 -2.32 103.07 103.46 1pj3 h GLY 3290Ca 0.09 -1.03 -0.11 0.00 0.00 0.00 0.00 47.33 46.27 1pj3 h GLY 3290CO 0.03 0.93 -0.32 1.41 0.00 0.00 0.00 176.54 178.58 1pj3 h LEU 3291N 0.58 0.56 -1.08 3.11 3.38 -0.98 0.10 115.31 120.97 1pj3 h LEU 3291Ca -0.00 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1pj3 h LEU 3291Cb 1.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1pj3 h LEU 3291CO 0.13 0.85 -0.39 -0.07 0.09 0.00 0.00 178.44 179.04 1pj3 h LEU 3292N 0.46 0.13 0.02 1.67 3.38 -0.78 -2.08 115.31 118.12 1pj3 h LEU 3292Ca 0.05 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1pj3 h LEU 3292Cb 0.79 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.52 1pj3 h LEU 3292CO 0.06 0.52 -1.11 0.00 0.09 0.00 0.00 178.44 178.00 1pj3 h ALA 3293N 1.49 0.11 -0.94 1.53 0.00 -0.98 -3.23 119.26 117.24 1pj3 h ALA 3293Ca 0.01 -0.73 0.02 0.00 0.00 0.00 0.00 54.91 54.21 1pj3 h ALA 3293Cb 0.74 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1pj3 h ALA 3293CO 0.06 0.71 0.62 0.00 0.00 0.00 0.00 179.25 180.64 1pj3 h ALA 3294N 0.41 1.36 0.00 0.00 0.00 -0.74 0.76 119.26 121.05 1pj3 h ALA 3294Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1pj3 h ALA 3294Cb 1.76 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1pj3 h ALA 3294CO 0.21 0.58 0.00 0.94 0.00 0.00 0.00 179.25 180.98 1pj3 n GLN 3295N -4.41 0.08 0.06 0.00 -0.06 -0.80 -0.87 117.38 111.38 1pj3 n GLN 3295Ca 0.12 0.25 0.13 0.00 -2.00 0.00 0.00 57.00 55.50 1pj3 n GLN 3295Cb 0.05 -1.50 0.41 0.00 -4.06 0.00 0.00 30.24 25.14 1pj3 n GLN 3295CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1pj3 n LYS 3296N -1.34 0.18 0.00 3.69 3.00 0.26 -1.98 118.16 121.97 1pj3 n LYS 3296Ca 0.03 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1pj3 n LYS 3296Cb 0.07 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.42 1pj3 n LYS 3296CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1pj3 n VAL 3297N -1.98 0.00 -0.08 3.15 0.31 -0.05 -4.83 118.33 114.85 1pj3 n VAL 3297Ca 0.06 -0.23 -0.07 0.00 -0.01 0.00 0.00 64.34 64.08 1pj3 n VAL 3297Cb 0.40 0.73 -0.02 0.00 -0.91 0.00 0.00 33.84 34.03 1pj3 n VAL 3297CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1pj3 n ILE 3298N -1.19 1.38 0.00 2.52 2.08 -0.62 -4.98 119.36 118.55 1pj3 n ILE 3298Ca 0.00 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.49 1pj3 n ILE 3298Cb 0.00 -2.30 0.00 0.00 -0.75 0.00 0.00 39.64 36.59 1pj3 n ILE 3298CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1pj3 n SER 3299N -4.35 0.00 -4.28 4.38 2.88 -0.84 -4.97 113.62 106.44 1pj3 n SER 3299Ca -0.12 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.06 1pj3 n SER 3299Cb 0.43 -0.69 0.06 0.00 -0.75 0.00 0.00 64.21 63.25 1pj3 n SER 3299CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1pj3 n LYS 3300N -1.84 0.07 -1.74 -1.46 5.02 -1.26 -4.83 118.16 112.12 1pj3 n LYS 3300Ca 0.00 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 1pj3 n LYS 3300Cb 0.00 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 1pj3 n LYS 3300CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1pj3 n PRO 3301N 0.51 2.68 0.21 1.97 -0.02 -1.26 -4.86 135.00 134.22 1pj3 n PRO 3301Ca 0.06 0.95 0.14 0.00 -2.02 0.00 0.00 63.50 62.63 1pj3 n PRO 3301Cb 0.51 -2.74 0.74 0.00 -0.02 0.00 0.00 33.50 32.00 1pj3 n PRO 3301CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1pj3 h ILE 3302N 3.36 0.00 -0.38 4.25 6.09 -1.97 -0.06 117.51 128.81 1pj3 h ILE 3302Ca -0.47 -0.01 -0.12 0.00 -1.37 0.00 0.00 64.86 62.90 1pj3 h ILE 3302Cb 1.23 0.62 -0.01 0.00 0.47 0.00 0.00 36.82 39.12 1pj3 h ILE 3302CO 0.80 0.00 -0.26 0.77 -3.07 0.00 0.00 178.15 176.39 1pj3 h SER 3303N 0.00 0.79 -0.36 2.19 4.64 -2.01 -2.59 113.55 116.20 1pj3 h SER 3303Ca 0.00 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 1pj3 h SER 3303Cb 0.01 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 1pj3 h SER 3303CO 0.00 1.01 0.05 -0.62 -0.87 0.00 0.00 176.83 176.40 1pj3 n GLU 3304N -4.10 3.04 -3.19 4.77 1.02 -0.04 -4.81 120.64 117.32 1pj3 n GLU 3304Ca -0.00 -1.80 -0.43 0.00 -0.02 0.00 0.00 57.16 54.90 1pj3 n GLU 3304Cb 0.45 -1.91 -0.07 0.00 -0.02 0.00 0.00 31.44 29.89 1pj3 n GLU 3304CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pj3 s HIS 3305N -2.00 3.09 -0.22 -0.32 3.76 -0.98 -4.79 115.29 113.84 1pj3 s HIS 3305Ca 0.32 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.85 1pj3 s HIS 3305Cb 0.24 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1pj3 s HIS 3305CO 0.09 -0.89 -0.08 0.21 -0.85 0.00 0.00 174.74 173.22 1pj3 s LYS 3306N 2.53 3.21 -0.17 1.40 2.47 -1.26 -4.79 119.74 123.12 1pj3 s LYS 3306Ca 0.16 -0.73 -0.05 0.00 -1.56 0.00 0.00 55.97 53.79 1pj3 s LYS 3306Cb -0.17 -2.91 -0.03 0.00 -1.46 0.00 0.00 37.83 33.26 1pj3 s LYS 3306CO 0.14 -0.23 0.01 0.42 0.16 0.00 0.00 175.35 175.85 1pj3 s ILE 3307N 1.41 4.28 -0.16 5.43 -1.09 0.50 0.01 121.20 131.57 1pj3 s ILE 3307Ca 0.05 -0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1pj3 s ILE 3307Cb -0.14 -2.91 0.02 0.00 -1.58 0.00 0.00 42.46 37.85 1pj3 s ILE 3307CO -0.06 0.47 -0.19 -0.22 -1.23 0.00 0.00 174.94 173.72 1pj3 s LEU 3308N 0.46 1.99 -0.09 2.97 2.96 -0.25 0.50 118.68 127.22 1pj3 s LEU 3308Ca -0.00 -0.59 -0.13 0.00 -0.22 0.00 0.00 54.13 53.18 1pj3 s LEU 3308Cb -0.13 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 1pj3 s LEU 3308CO 0.02 -0.00 0.31 -0.36 -1.32 0.00 0.00 176.35 175.00 1pj3 s PHE 3309N 1.27 3.58 -0.53 5.38 0.08 0.10 -1.74 117.98 126.12 1pj3 s PHE 3309Ca 0.03 0.74 -0.18 0.00 0.12 0.00 0.00 56.93 57.64 1pj3 s PHE 3309Cb -0.13 -2.26 0.09 0.00 -0.57 0.00 0.00 43.02 40.15 1pj3 s PHE 3309CO -0.11 0.48 0.58 -1.17 -0.10 0.00 0.00 175.22 174.90 1pj3 s LEU 3310N -0.36 5.46 0.00 -0.37 2.96 0.82 -0.52 118.68 126.67 1pj3 s LEU 3310Ca 0.19 -1.32 0.00 0.00 -0.22 0.00 0.00 54.13 52.78 1pj3 s LEU 3310Cb -0.14 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.25 1pj3 s LEU 3310CO 0.08 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 174.81 1pj3 n GLY 3311N 5.23 2.79 2.80 7.98 0.00 0.10 -0.91 105.19 123.18 1pj3 n GLY 3311Ca -0.10 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1pj3 n GLY 3311CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj3 n ALA 3312N 0.50 2.58 -2.16 4.61 0.00 -1.26 -4.42 120.51 120.35 1pj3 n ALA 3312Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.74 1pj3 n ALA 3312Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1pj3 n ALA 3312CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 3313N -0.59 2.42 0.38 0.00 0.00 -1.26 -4.65 105.19 101.49 1pj3 n GLY 3313Ca 0.06 -1.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 1pj3 n GLY 3313CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pj3 h GLU 3314N 0.00 -0.20 -0.01 1.61 5.08 -1.94 -1.04 114.58 118.09 1pj3 h GLU 3314Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pj3 h GLU 3314Cb 0.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1pj3 h GLU 3314CO 0.00 -0.13 -0.00 0.00 -1.00 0.00 0.00 179.01 177.88 1pj3 h ALA 3315N 0.74 0.01 0.16 3.43 0.00 -1.89 -2.32 119.26 119.40 1pj3 h ALA 3315Ca 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pj3 h ALA 3315Cb 0.56 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1pj3 h ALA 3315CO -0.69 -0.29 -0.38 0.00 0.00 0.00 0.00 179.25 177.89 1pj3 h ALA 3316N 0.60 -0.70 -0.65 0.00 0.00 -1.79 0.14 119.26 116.86 1pj3 h ALA 3316Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1pj3 h ALA 3316Cb 0.41 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1pj3 h ALA 3316CO 0.00 -0.95 0.39 -0.07 0.00 0.00 0.00 179.25 178.62 1pj3 h LEU 3317N -0.64 0.63 -0.09 0.00 3.38 -1.30 0.00 115.31 117.29 1pj3 h LEU 3317Ca 0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1pj3 h LEU 3317Cb 0.66 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1pj3 h LEU 3317CO -0.20 0.43 -0.00 1.23 0.09 0.00 0.00 178.44 179.99 1pj3 h GLY 3318N 0.76 0.08 0.97 0.83 0.00 -0.92 -0.69 103.07 104.10 1pj3 h GLY 3318Ca 0.27 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1pj3 h GLY 3318CO -0.12 -0.02 0.21 -2.22 0.00 0.00 0.00 176.54 174.39 1pj3 h ILE 3319N 0.02 1.21 -0.53 2.60 2.04 -0.37 -2.72 117.51 119.76 1pj3 h ILE 3319Ca 0.04 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.28 1pj3 h ILE 3319Cb 0.05 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1pj3 h ILE 3319CO -0.07 0.24 0.34 0.00 0.00 0.00 0.00 178.15 178.66 1pj3 h ALA 3320N 1.06 0.67 -0.20 1.87 0.00 -0.77 0.63 119.26 122.53 1pj3 h ALA 3320Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1pj3 h ALA 3320Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1pj3 h ALA 3320CO -0.02 0.09 -0.12 -0.91 0.00 0.00 0.00 179.25 178.30 1pj3 h ASN 3321N 0.70 0.30 0.81 0.00 2.35 -1.03 -0.94 115.58 117.76 1pj3 h ASN 3321Ca 0.20 -0.06 -0.23 0.00 -0.55 0.00 0.00 56.30 55.65 1pj3 h ASN 3321Cb -0.06 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1pj3 h ASN 3321CO -0.05 0.45 -1.07 0.25 -1.65 0.00 0.00 177.43 175.36 1pj3 h LEU 3322N 0.30 0.18 -0.53 1.61 5.85 -1.11 -3.18 115.31 118.43 1pj3 h LEU 3322Ca 0.06 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1pj3 h LEU 3322Cb 0.39 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1pj3 h LEU 3322CO 0.02 1.12 0.12 0.40 -0.34 0.00 0.00 178.44 179.77 1pj3 h ILE 3323N 0.04 1.24 0.00 4.05 2.04 -0.45 -2.09 117.51 122.34 1pj3 h ILE 3323Ca -0.06 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1pj3 h ILE 3323Cb 1.80 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1pj3 h ILE 3323CO 0.16 0.32 0.00 0.52 0.00 0.00 0.00 178.15 179.14 1pj3 n VAL 3324N -4.43 0.00 -0.36 1.67 0.31 -0.40 -4.66 118.33 110.47 1pj3 n VAL 3324Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1pj3 n VAL 3324Cb 0.23 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 1pj3 n VAL 3324CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pj3 n SER 3326N 0.80 0.00 0.00 4.52 2.88 -0.79 -4.52 113.62 116.51 1pj3 n SER 3326Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pj3 n SER 3326Cb 0.00 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1pj3 n SER 3326CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1pj3 n VAL 3328N -0.36 0.00 0.21 2.46 0.31 -1.25 -2.33 118.33 117.37 1pj3 n VAL 3328Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1pj3 n VAL 3328Cb 0.00 0.00 0.40 0.00 -0.91 0.00 0.00 33.84 33.33 1pj3 n VAL 3328CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1pj3 h GLU 3329N 0.00 0.00 -0.39 5.55 4.81 -1.83 -3.17 114.58 119.54 1pj3 h GLU 3329Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1pj3 h GLU 3329Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1pj3 h GLU 3329CO 0.00 0.26 0.01 0.09 -0.73 0.00 0.00 179.01 178.64 1pj3 n ASN 3330N -3.38 4.58 0.00 1.04 3.02 -0.98 -5.00 115.26 114.53 1pj3 n ASN 3330Ca 0.00 -3.01 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1pj3 n ASN 3330Cb 0.47 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1pj3 n ASN 3330CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pj3 n GLY 3331N -0.10 2.45 3.31 7.41 0.00 -1.20 -5.11 105.19 111.95 1pj3 n GLY 3331Ca 0.25 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1pj3 n GLY 3331CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 3332N 0.00 -1.82 -4.92 0.99 4.32 -1.26 -4.89 117.00 109.42 1pj3 n LEU 3332Ca 0.00 0.55 -0.26 0.00 -0.02 0.00 0.00 56.01 56.28 1pj3 n LEU 3332Cb 0.00 -1.01 0.02 0.00 -1.62 0.00 0.00 43.42 40.81 1pj3 n LEU 3332CO 0.00 -4.16 0.49 -0.94 -1.22 0.00 0.00 177.39 171.56 1pj3 s SER 3333N -1.22 5.77 0.12 -1.43 1.04 -1.26 -3.93 113.70 112.78 1pj3 s SER 3333Ca 0.58 0.72 -0.26 0.00 0.48 0.00 0.00 55.95 57.48 1pj3 s SER 3333Cb -0.38 -1.81 -0.06 0.00 0.10 0.00 0.00 66.02 63.87 1pj3 s SER 3333CO 0.65 -0.92 1.64 -0.08 0.98 0.00 0.00 173.24 175.51 1pj3 h GLU 3334N -0.03 -0.38 -0.63 4.02 4.81 -1.93 -0.90 114.58 119.54 1pj3 h GLU 3334Ca -0.46 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1pj3 h GLU 3334Cb 1.24 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1pj3 h GLU 3334CO 0.60 -0.25 0.35 0.37 -0.73 0.00 0.00 179.01 179.35 1pj3 h GLN 3335N -0.39 0.86 0.00 1.92 -0.00 -1.99 -1.65 115.11 113.85 1pj3 h GLN 3335Ca 0.05 -0.08 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 1pj3 h GLN 3335Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 1pj3 h GLN 3335CO -0.20 0.62 -0.19 1.49 0.00 0.00 0.00 178.83 180.56 1pj3 h GLU 3336N 0.87 0.00 0.09 1.69 4.81 -1.83 -3.04 114.58 117.16 1pj3 h GLU 3336Ca 0.22 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.16 1pj3 h GLU 3336Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1pj3 h GLU 3336CO -0.04 0.19 -1.54 0.00 -0.73 0.00 0.00 179.01 176.89 1pj3 h ALA 3337N 1.81 0.38 0.00 2.92 0.00 -0.62 -3.30 119.26 120.45 1pj3 h ALA 3337Ca -0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1pj3 h ALA 3337Cb 0.84 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pj3 h ALA 3337CO 0.02 1.24 0.00 1.96 0.00 0.00 0.00 179.25 182.48 1pj3 h GLN 3338N 0.05 0.00 0.00 0.00 4.20 -1.26 -2.17 115.11 115.93 1pj3 h GLN 3338Ca -0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1pj3 h GLN 3338Cb 1.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.77 1pj3 h GLN 3338CO 0.14 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.93 1pj3 n LYS 3339N -2.99 0.20 -0.15 1.46 4.76 -1.16 -2.79 118.16 117.49 1pj3 n LYS 3339Ca 0.00 0.24 0.09 0.00 -2.87 0.00 0.00 58.31 55.77 1pj3 n LYS 3339Cb 0.25 -1.76 0.28 0.00 -1.84 0.00 0.00 35.03 31.96 1pj3 n LYS 3339CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1pj3 n LYS 3340N -2.11 1.94 -4.86 1.97 5.02 -0.82 -4.84 118.16 114.47 1pj3 n LYS 3340Ca 0.05 -1.44 -0.31 0.00 -2.02 0.00 0.00 58.31 54.59 1pj3 n LYS 3340Cb 0.36 -1.38 -0.17 0.00 -0.02 0.00 0.00 35.03 33.81 1pj3 n LYS 3340CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pj3 s ILE 3341N -1.60 1.93 0.00 -0.18 -1.09 -1.12 -0.37 121.20 118.77 1pj3 s ILE 3341Ca 0.32 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 1pj3 s ILE 3341Cb 0.17 -1.70 0.00 0.00 -1.58 0.00 0.00 42.46 39.35 1pj3 s ILE 3341CO 0.24 0.53 0.00 0.79 -1.23 0.00 0.00 174.94 175.27 1pj3 n TRP 3342N 3.85 0.00 -3.15 3.97 7.02 0.18 -4.86 117.44 124.45 1pj3 n TRP 3342Ca -0.20 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.34 1pj3 n TRP 3342Cb 0.52 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.39 1pj3 n TRP 3342CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1pj3 s PHE 3344N -0.97 -0.24 0.00 -5.99 5.36 0.32 0.01 117.98 116.46 1pj3 s PHE 3344Ca 0.00 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 1pj3 s PHE 3344Cb 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 1pj3 s PHE 3344CO 0.00 -0.13 0.00 -0.40 -1.46 0.00 0.00 175.22 173.23 1pj3 n ASP 3345N 5.48 0.25 0.32 6.13 5.75 -0.57 0.00 116.55 133.91 1pj3 n ASP 3345Ca -0.08 -0.40 0.21 0.00 -0.01 0.00 0.00 54.79 54.51 1pj3 n ASP 3345Cb 0.54 0.00 1.10 0.00 -1.03 0.00 0.00 41.12 41.74 1pj3 n ASP 3345CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1pj3 h LYS 3346N 0.00 0.00 -0.01 0.11 2.10 -2.00 -1.48 116.57 115.29 1pj3 h LYS 3346Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pj3 h LYS 3346Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1pj3 h LYS 3346CO 0.00 0.01 -0.60 0.66 -2.00 0.00 0.00 179.45 177.51 1pj3 n TYR 3347N -3.25 0.00 0.00 0.07 4.02 -1.26 -5.09 117.16 111.65 1pj3 n TYR 3347Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1pj3 n TYR 3347Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1pj3 n TYR 3347CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pj3 n GLY 3348N 1.38 0.34 3.75 2.72 0.00 -0.56 -4.98 105.19 107.83 1pj3 n GLY 3348Ca 0.07 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 1pj3 n GLY 3348CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pj3 s LEU 3349N 0.00 3.82 -0.56 0.99 2.96 -1.26 -1.52 118.68 123.11 1pj3 s LEU 3349Ca 0.00 2.77 -0.21 0.00 -0.22 0.00 0.00 54.13 56.47 1pj3 s LEU 3349Cb 0.00 -4.30 0.06 0.00 0.50 0.00 0.00 46.19 42.45 1pj3 s LEU 3349CO 0.00 -1.63 0.78 -0.76 -1.32 0.00 0.00 176.35 173.42 1pj3 s LEU 3350N -3.61 4.69 0.06 -0.68 2.01 -1.26 -4.89 118.68 114.99 1pj3 s LEU 3350Ca 0.73 -0.85 0.05 0.00 0.01 0.00 0.00 54.13 54.07 1pj3 s LEU 3350Cb -0.41 -2.52 -0.03 0.00 0.01 0.00 0.00 46.19 43.24 1pj3 s LEU 3350CO 0.48 -1.12 -0.14 0.68 1.01 0.00 0.00 176.35 177.26 1pj3 s VAL 3351N 3.26 1.12 0.15 -1.59 -7.23 -1.26 -3.21 120.40 111.64 1pj3 s VAL 3351Ca 0.20 -1.19 -0.34 0.00 -1.81 0.00 0.00 61.98 58.84 1pj3 s VAL 3351Cb -0.18 -1.05 -0.15 0.00 0.56 0.00 0.00 36.38 35.56 1pj3 s VAL 3351CO 0.13 -0.13 1.42 0.29 -0.31 0.00 0.00 175.10 176.49 1pj3 n LYS 3352N 1.52 1.69 -0.70 4.82 5.02 0.13 -1.89 118.16 128.75 1pj3 n LYS 3352Ca -0.20 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1pj3 n LYS 3352Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 1pj3 n LYS 3352CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj3 n GLY 3353N 2.74 1.34 3.68 0.72 0.00 -1.26 -4.69 105.19 107.71 1pj3 n GLY 3353Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1pj3 n GLY 3353CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pj3 s ARG 3354N -0.10 1.16 0.07 1.61 1.70 -0.79 -4.92 118.95 117.68 1pj3 s ARG 3354Ca 0.00 1.58 -0.20 0.00 -0.47 0.00 0.00 55.73 56.65 1pj3 s ARG 3354Cb 0.00 -1.74 -0.10 0.00 -0.57 0.00 0.00 34.95 32.54 1pj3 s ARG 3354CO 0.00 -2.53 1.50 -0.22 -1.08 0.00 0.00 175.30 172.97 1pj3 h LYS 3355N -1.67 0.36 -6.86 3.89 1.63 -1.96 -3.44 116.57 108.51 1pj3 h LYS 3355Ca -0.44 -0.11 -0.56 0.00 -0.85 0.00 0.00 60.65 58.69 1pj3 h LYS 3355Cb 1.27 -0.03 0.12 0.00 -0.60 0.00 0.00 32.23 32.99 1pj3 h LYS 3355CO 0.43 0.56 0.57 0.00 -3.45 0.00 0.00 179.45 177.55 1pj3 n ALA 3356N -2.33 1.58 -1.12 5.00 0.00 -1.26 -4.95 120.51 117.43 1pj3 n ALA 3356Ca -0.04 0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 1pj3 n ALA 3356Cb 0.23 -2.31 0.12 0.00 0.00 0.00 0.00 19.45 17.49 1pj3 n ALA 3356CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pj3 s LYS 3357N -2.20 1.78 -0.05 0.00 1.02 -1.26 -5.03 119.74 114.00 1pj3 s LYS 3357Ca 0.59 1.60 -0.01 0.00 0.02 0.00 0.00 55.97 58.17 1pj3 s LYS 3357Cb -0.50 -1.81 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1pj3 s LYS 3357CO 0.59 -2.07 0.04 0.42 -0.92 0.00 0.00 175.35 173.40 1pj3 s ILE 3358N -2.34 0.06 0.75 2.17 1.09 -1.26 -5.13 121.20 116.54 1pj3 s ILE 3358Ca 0.70 0.30 -0.08 0.00 -1.10 0.00 0.00 60.65 60.47 1pj3 s ILE 3358Cb -0.25 -0.27 0.09 0.00 -1.06 0.00 0.00 42.46 40.97 1pj3 s ILE 3358CO 0.51 0.20 1.07 1.51 -0.10 0.00 0.00 174.94 178.13 1pj3 s ASP 3359N 1.96 4.48 0.26 3.58 3.84 -1.26 -4.82 116.67 124.72 1pj3 s ASP 3359Ca 0.03 0.37 -0.01 0.00 -0.00 0.00 0.00 52.55 52.94 1pj3 s ASP 3359Cb -0.12 -0.88 0.57 0.00 -1.38 0.00 0.00 42.92 41.10 1pj3 s ASP 3359CO -0.04 -1.82 1.72 0.77 -0.00 0.00 0.00 175.17 175.80 1pj3 h SER 3360N -0.79 0.32 0.65 2.11 4.64 -2.01 -0.84 113.55 117.63 1pj3 h SER 3360Ca -0.44 0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 60.94 1pj3 h SER 3360Cb 1.30 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1pj3 h SER 3360CO 0.55 0.08 -0.31 1.88 -0.87 0.00 0.00 176.83 178.16 1pj3 h TYR 3361N 0.45 0.00 0.11 4.77 -1.99 -2.01 -3.21 116.97 115.08 1pj3 h TYR 3361Ca 0.47 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.91 1pj3 h TYR 3361Cb 0.79 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.51 1pj3 h TYR 3361CO -0.15 0.31 -1.48 1.96 -0.00 0.00 0.00 178.16 178.80 1pj3 h GLN 3362N 0.00 0.23 -0.94 4.88 4.20 -1.55 -3.38 115.11 118.56 1pj3 h GLN 3362Ca -0.00 -0.40 0.17 0.00 0.06 0.00 0.00 58.65 58.48 1pj3 h GLN 3362Cb 0.72 0.15 -0.17 0.00 0.30 0.00 0.00 27.48 28.48 1pj3 h GLN 3362CO 0.04 1.10 -0.29 -1.91 -0.67 0.00 0.00 178.83 177.10 1pj3 n GLU 3363N -3.44 -0.14 0.07 1.46 0.00 -0.72 0.69 120.64 118.56 1pj3 n GLU 3363Ca -0.15 1.45 0.04 0.00 0.00 0.00 0.00 57.16 58.50 1pj3 n GLU 3363Cb 1.04 -2.16 0.22 0.00 0.00 0.00 0.00 31.44 30.54 1pj3 n GLU 3363CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 1pj3 n PRO 3364N -5.46 0.05 -0.00 5.31 -0.02 -1.26 -0.69 135.00 132.94 1pj3 n PRO 3364Ca 0.13 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1pj3 n PRO 3364Cb 0.43 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1pj3 n PRO 3364CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1pj3 n PHE 3365N -1.75 0.00 -3.25 6.00 3.01 0.22 -4.75 117.46 116.94 1pj3 n PHE 3365Ca -0.01 -0.44 -0.44 0.00 1.01 0.00 0.00 57.45 57.58 1pj3 n PHE 3365Cb 0.13 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 39.49 1pj3 n PHE 3365CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1pj3 s THR 3366N -0.89 5.02 0.55 4.37 2.01 0.14 -4.73 115.64 122.11 1pj3 s THR 3366Ca 0.00 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.35 1pj3 s THR 3366Cb 0.00 -4.23 0.07 0.00 0.01 0.00 0.00 72.50 68.35 1pj3 s THR 3366CO 0.00 -0.72 0.75 -1.00 -0.69 0.00 0.00 174.62 172.96 1pj3 s HIS 3367N 2.22 1.77 0.23 4.92 3.76 -1.20 -4.49 115.29 122.51 1pj3 s HIS 3367Ca 0.10 -0.61 -0.30 0.00 -0.15 0.00 0.00 55.06 54.11 1pj3 s HIS 3367Cb -0.21 -2.31 -0.09 0.00 1.11 0.00 0.00 32.58 31.08 1pj3 s HIS 3367CO 0.10 -1.01 1.15 -1.12 -0.85 0.00 0.00 174.74 173.00 1pj3 s SER 3368N -4.59 7.17 0.25 1.40 0.01 -1.26 0.22 113.70 116.90 1pj3 s SER 3368Ca 0.60 2.25 -0.29 0.00 1.31 0.00 0.00 55.95 59.82 1pj3 s SER 3368Cb -0.07 -2.62 -0.15 0.00 0.21 0.00 0.00 66.02 63.40 1pj3 s SER 3368CO 0.38 -0.27 0.97 0.00 0.41 0.00 0.00 173.24 174.73 1pj3 n ALA 3369N 1.91 -0.73 -1.15 1.44 0.00 -1.26 -4.87 120.51 115.86 1pj3 n ALA 3369Ca 0.02 0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 1pj3 n ALA 3369Cb 0.45 -1.96 0.06 0.00 0.00 0.00 0.00 19.45 18.00 1pj3 n ALA 3369CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pj3 n PRO 3370N 0.98 -0.94 -0.34 0.00 -0.02 -1.26 -4.89 135.00 128.53 1pj3 n PRO 3370Ca 0.12 -0.54 0.03 0.00 -2.02 0.00 0.00 63.50 61.09 1pj3 n PRO 3370Cb 0.29 -0.42 0.09 0.00 -0.02 0.00 0.00 33.50 33.44 1pj3 n PRO 3370CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pj3 n GLU 3371N -2.10 -0.14 -4.15 -0.52 4.71 -1.26 -4.53 120.64 112.66 1pj3 n GLU 3371Ca 0.05 1.44 -0.10 0.00 -0.01 0.00 0.00 57.16 58.54 1pj3 n GLU 3371Cb 0.16 -2.15 -0.10 0.00 -1.01 0.00 0.00 31.44 28.35 1pj3 n GLU 3371CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1pj3 s SER 3372N -5.28 1.00 -0.31 1.62 1.04 -1.26 -5.14 113.70 105.37 1pj3 s SER 3372Ca -0.13 -0.97 -0.14 0.00 0.48 0.00 0.00 55.95 55.18 1pj3 s SER 3372Cb 0.23 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1pj3 s SER 3372CO 0.70 -0.47 0.33 -0.63 0.98 0.00 0.00 173.24 174.15 1pj3 s ILE 3373N -3.50 5.20 0.51 -1.02 1.01 -1.26 -5.06 121.20 117.07 1pj3 s ILE 3373Ca 0.09 0.22 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 1pj3 s ILE 3373Cb 0.05 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 1pj3 s ILE 3373CO -0.05 0.04 1.27 -2.65 0.00 0.00 0.00 174.94 173.55 1pj3 n PRO 3374N 5.31 1.67 -0.10 2.79 -0.02 -1.26 -4.96 135.00 138.42 1pj3 n PRO 3374Ca -0.10 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 61.80 1pj3 n PRO 3374Cb 0.50 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.41 1pj3 n PRO 3374CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1pj3 n ASP 3375N -0.53 2.01 -4.73 2.55 2.03 -1.26 -4.65 116.55 111.97 1pj3 n ASP 3375Ca 0.09 -0.04 -0.29 0.00 0.52 0.00 0.00 54.79 55.08 1pj3 n ASP 3375Cb 0.43 -0.53 -0.08 0.00 -0.72 0.00 0.00 41.12 40.23 1pj3 n ASP 3375CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1pj3 s THR 3376N -2.53 1.75 0.26 5.18 -4.23 -1.26 -4.93 115.64 109.88 1pj3 s THR 3376Ca -0.33 -1.87 0.18 0.00 -1.18 0.00 0.00 61.69 58.50 1pj3 s THR 3376Cb 0.09 -2.62 0.14 0.00 1.34 0.00 0.00 72.50 71.45 1pj3 s THR 3376CO 0.63 0.00 1.80 0.15 -0.54 0.00 0.00 174.62 176.66 1pj3 h PHE 3377N 1.43 0.00 -0.22 3.99 3.57 -1.94 -2.18 116.94 121.58 1pj3 h PHE 3377Ca -0.43 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.97 1pj3 h PHE 3377Cb 1.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1pj3 h PHE 3377CO 1.00 0.35 -0.28 1.49 -2.23 0.00 0.00 178.31 178.64 1pj3 h GLU 3378N 0.00 0.44 -0.20 1.11 4.81 -1.95 -2.04 114.58 116.75 1pj3 h GLU 3378Ca -0.00 -0.17 -0.20 0.00 -0.13 0.00 0.00 59.36 58.86 1pj3 h GLU 3378Cb 0.77 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1pj3 h GLU 3378CO 0.05 0.68 -0.64 -0.44 -0.73 0.00 0.00 179.01 177.93 1pj3 h ASP 3379N 0.39 0.91 -0.78 1.04 3.32 -1.84 -2.42 116.42 117.04 1pj3 h ASP 3379Ca 0.05 -0.59 0.04 0.00 0.02 0.00 0.00 57.03 56.55 1pj3 h ASP 3379Cb 0.69 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1pj3 h ASP 3379CO 0.05 1.34 0.51 0.00 -1.72 0.00 0.00 179.24 179.42 1pj3 h ALA 3380N 0.59 1.55 -0.17 3.45 0.00 -1.20 0.14 119.26 123.62 1pj3 h ALA 3380Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1pj3 h ALA 3380Cb 1.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1pj3 h ALA 3380CO 0.14 0.37 -0.18 0.28 0.00 0.00 0.00 179.25 179.85 1pj3 h VAL 3381N 0.94 1.34 -0.25 0.00 2.07 -1.29 -0.08 116.25 118.97 1pj3 h VAL 3381Ca 0.31 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.36 1pj3 h VAL 3381Cb 0.07 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1pj3 h VAL 3381CO -0.09 0.40 -0.34 0.78 0.02 0.00 0.00 177.57 178.34 1pj3 h ASN 3382N 0.07 0.56 0.05 0.57 2.35 -0.93 0.54 115.58 118.79 1pj3 h ASN 3382Ca 0.03 -0.22 -0.13 0.00 -0.55 0.00 0.00 56.30 55.42 1pj3 h ASN 3382Cb 0.73 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.95 1pj3 h ASN 3382CO 0.04 0.86 -0.55 0.40 -1.65 0.00 0.00 177.43 176.53 1pj3 h ILE 3383N 0.46 1.51 0.00 2.81 2.04 -0.76 -3.34 117.51 120.22 1pj3 h ILE 3383Ca 0.05 -2.24 -0.08 0.00 1.00 0.00 0.00 64.86 63.59 1pj3 h ILE 3383Cb 0.81 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 1pj3 h ILE 3383CO 0.07 0.63 -0.72 -0.07 0.00 0.00 0.00 178.15 178.06 1pj3 h LEU 3384N -0.35 0.00 -2.18 1.44 4.07 -1.05 -3.49 115.31 113.75 1pj3 h LEU 3384Ca -0.08 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.40 1pj3 h LEU 3384Cb 1.34 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.08 1pj3 h LEU 3384CO 0.11 0.33 -0.89 0.29 -1.08 0.00 0.00 178.44 177.20 1pj3 n LYS 3385N -3.02 -3.10 -1.15 1.13 5.02 0.19 -4.93 118.16 112.29 1pj3 n LYS 3385Ca -0.01 0.45 -0.31 0.00 -2.02 0.00 0.00 58.31 56.42 1pj3 n LYS 3385Cb 0.69 -4.53 0.11 0.00 -0.02 0.00 0.00 35.03 31.28 1pj3 n LYS 3385CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pj3 s PRO 3386N -6.34 1.86 0.00 1.97 0.04 -1.26 -4.91 135.00 126.36 1pj3 s PRO 3386Ca 0.11 1.17 0.22 0.00 0.04 0.00 0.00 61.00 62.54 1pj3 s PRO 3386Cb -0.04 -1.85 -0.28 0.00 0.04 0.00 0.00 34.50 32.37 1pj3 s PRO 3386CO 0.87 -1.92 0.60 -1.13 0.04 0.00 0.00 177.00 175.45 1pj3 n SER 3387N -3.71 0.19 -3.96 6.66 3.41 0.10 -4.88 113.62 111.44 1pj3 n SER 3387Ca 0.09 -0.04 -0.19 0.00 -0.26 0.00 0.00 58.87 58.47 1pj3 n SER 3387Cb 0.53 1.70 -0.16 0.00 -0.26 0.00 0.00 64.21 66.02 1pj3 n SER 3387CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pj3 s THR 3388N -3.45 0.64 -0.11 6.66 2.01 -0.56 -2.66 115.64 118.17 1pj3 s THR 3388Ca -0.06 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1pj3 s THR 3388Cb 0.14 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 72.06 1pj3 s THR 3388CO 0.89 0.22 -0.20 -0.51 -0.69 0.00 0.00 174.62 174.33 1pj3 s ILE 3389N 0.38 1.80 -0.20 1.82 1.10 -0.27 -1.09 121.20 124.75 1pj3 s ILE 3389Ca -0.05 -0.85 0.01 0.00 -0.51 0.00 0.00 60.65 59.25 1pj3 s ILE 3389Cb -0.10 -1.60 0.04 0.00 0.15 0.00 0.00 42.46 40.95 1pj3 s ILE 3389CO 0.00 0.50 -0.14 -0.63 -2.11 0.00 0.00 174.94 172.57 1pj3 s ILE 3390N 0.68 1.86 -0.29 2.00 1.01 -0.71 -0.94 121.20 124.82 1pj3 s ILE 3390Ca -0.12 -1.06 -0.16 0.00 0.00 0.00 0.00 60.65 59.30 1pj3 s ILE 3390Cb -0.16 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1pj3 s ILE 3390CO 0.02 0.28 0.44 -0.83 0.00 0.00 0.00 174.94 174.85 1pj3 s GLY 3391N 1.32 1.86 -0.38 6.18 0.00 0.40 -0.13 107.32 116.57 1pj3 s GLY 3391Ca -0.00 -0.83 0.12 0.00 0.00 0.00 0.00 44.72 44.01 1pj3 s GLY 3391CO -0.09 1.11 0.98 3.33 0.00 0.00 0.00 173.10 178.42 1pj3 n VAL 3392N 5.20 0.22 0.20 1.40 0.24 -0.08 -1.10 118.33 124.42 1pj3 n VAL 3392Ca -0.07 -3.00 0.04 0.00 -2.04 0.00 0.00 64.34 59.27 1pj3 n VAL 3392Cb 0.50 0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 33.39 1pj3 n VAL 3392CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pj3 n ALA 3393N 0.05 2.70 -3.67 2.33 0.00 -1.17 -4.55 120.51 116.20 1pj3 n ALA 3393Ca 0.12 -0.21 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 1pj3 n ALA 3393Cb 0.75 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1pj3 n ALA 3393CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 3394N 1.57 -0.48 0.12 0.00 0.00 -1.26 -4.85 105.19 100.29 1pj3 n GLY 3394Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1pj3 n GLY 3394CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj3 n ALA 3395N -4.04 2.04 0.00 4.61 0.00 -1.25 -4.82 120.51 117.05 1pj3 n ALA 3395Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1pj3 n ALA 3395Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1pj3 n ALA 3395CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 3396N -0.33 -1.59 3.34 0.00 0.00 -0.68 -4.81 105.19 101.12 1pj3 n GLY 3396Ca 0.02 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 1pj3 n GLY 3396CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj3 n ARG 3397N 0.00 0.35 0.03 1.61 5.12 -1.00 -3.69 116.66 119.08 1pj3 n ARG 3397Ca 0.00 -1.12 0.13 0.00 -1.93 0.00 0.00 57.85 54.93 1pj3 n ARG 3397Cb 0.00 -2.52 0.33 0.00 -1.16 0.00 0.00 32.46 29.11 1pj3 n ARG 3397CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1pj3 n LEU 3398N 8.12 0.47 -3.82 0.55 4.32 -1.09 -4.19 117.00 121.36 1pj3 n LEU 3398Ca 0.42 0.24 -0.42 0.00 -0.02 0.00 0.00 56.01 56.23 1pj3 n LEU 3398Cb 0.36 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1pj3 n LEU 3398CO 1.08 0.01 1.86 0.49 -1.22 0.00 0.00 177.39 179.61 1pj3 n PHE 3399N -1.75 2.73 -0.68 -1.77 0.99 -0.68 -4.93 117.46 111.37 1pj3 n PHE 3399Ca 0.05 -2.74 -0.31 0.00 -0.00 0.00 0.00 57.45 54.45 1pj3 n PHE 3399Cb 0.37 -1.78 0.17 0.00 -1.00 0.00 0.00 39.48 37.24 1pj3 n PHE 3399CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1pj3 n THR 3400N 2.62 0.00 -0.16 4.37 -2.24 -1.26 -4.59 114.28 113.01 1pj3 n THR 3400Ca 0.41 -0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.13 1pj3 n THR 3400Cb 0.34 -0.80 0.47 0.00 -2.10 0.00 0.00 70.33 68.23 1pj3 n THR 3400CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1pj3 h PRO 3401N -1.94 0.47 -0.29 -0.78 0.11 -1.95 0.65 132.00 128.27 1pj3 h PRO 3401Ca -0.48 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 1pj3 h PRO 3401Cb 1.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1pj3 h PRO 3401CO 0.39 0.31 -0.39 -0.44 -0.21 0.00 0.00 178.00 177.66 1pj3 h ASP 3402N 0.49 0.74 -0.46 -2.05 3.32 -1.99 0.15 116.42 116.61 1pj3 h ASP 3402Ca 0.36 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1pj3 h ASP 3402Cb 0.71 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1pj3 h ASP 3402CO -0.12 1.05 0.04 0.58 -1.72 0.00 0.00 179.24 179.07 1pj3 h VAL 3403N 0.57 1.25 -0.44 -1.35 2.07 -1.26 -1.66 116.25 115.43 1pj3 h VAL 3403Ca 0.05 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 1pj3 h VAL 3403Cb 0.93 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1pj3 h VAL 3403CO 0.08 0.34 -0.03 0.40 0.02 0.00 0.00 177.57 178.38 1pj3 h ILE 3404N 0.64 1.27 -0.50 4.57 2.04 -0.82 -3.09 117.51 121.61 1pj3 h ILE 3404Ca 0.14 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1pj3 h ILE 3404Cb 0.44 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1pj3 h ILE 3404CO 0.02 0.38 0.19 0.03 0.00 0.00 0.00 178.15 178.76 1pj3 h ARG 3405N 0.64 0.76 -1.45 2.37 3.08 -0.63 -2.48 114.38 116.67 1pj3 h ARG 3405Ca 0.12 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1pj3 h ARG 3405Cb 0.54 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1pj3 h ARG 3405CO 0.03 0.68 0.00 0.00 -1.07 0.00 0.00 179.97 179.61 1pj3 n ALA 3406N -2.34 1.19 0.00 0.04 0.00 -0.63 -0.85 120.51 117.92 1pj3 n ALA 3406Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pj3 n ALA 3406Cb 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1pj3 n ALA 3406CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pj3 n ALA 3408N 0.82 0.00 0.11 0.00 0.00 -0.94 -0.60 120.51 119.90 1pj3 n ALA 3408Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1pj3 n ALA 3408Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1pj3 n ALA 3408CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pj3 h SER 3409N 0.00 0.49 1.28 0.00 0.87 -1.27 -3.32 113.55 111.59 1pj3 h SER 3409Ca 0.00 -0.53 -0.13 0.00 -1.23 0.00 0.00 61.79 59.90 1pj3 h SER 3409Cb 0.00 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1pj3 h SER 3409CO 0.00 1.42 -0.75 0.40 -0.53 0.00 0.00 176.83 177.37 1pj3 h ILE 3410N 0.08 0.86 -3.93 2.23 2.04 -1.11 -3.47 117.51 114.22 1pj3 h ILE 3410Ca -0.16 -2.28 -0.32 0.00 1.00 0.00 0.00 64.86 63.09 1pj3 h ILE 3410Cb 2.01 2.38 -0.21 0.00 -0.74 0.00 0.00 36.82 40.26 1pj3 h ILE 3410CO 0.21 0.49 -0.75 0.20 0.00 0.00 0.00 178.15 178.31 1pj3 s ASN 3411N -6.34 1.19 0.10 1.72 0.01 -1.25 -5.04 114.94 105.33 1pj3 s ASN 3411Ca 0.02 -0.61 -0.09 0.00 -0.71 0.00 0.00 52.86 51.47 1pj3 s ASN 3411Cb 0.08 0.01 -0.18 0.00 0.41 0.00 0.00 41.25 41.56 1pj3 s ASN 3411CO 0.77 -0.18 1.22 -0.08 -1.51 0.00 0.00 177.10 177.33 1pj3 h GLU 3412N 4.30 0.54 -2.69 -0.60 4.57 -1.91 -3.39 114.58 115.40 1pj3 h GLU 3412Ca -0.38 -0.62 -0.60 0.00 -1.18 0.00 0.00 59.36 56.58 1pj3 h GLU 3412Cb 1.20 0.18 -0.40 0.00 -0.16 0.00 0.00 28.75 29.57 1pj3 h GLU 3412CO 0.42 1.24 -0.81 1.03 -1.18 0.00 0.00 179.01 179.71 1pj3 s ARG 3413N -3.21 1.45 0.28 1.92 1.81 -1.26 -4.78 118.95 115.17 1pj3 s ARG 3413Ca -0.08 -2.48 -0.29 0.00 -1.72 0.00 0.00 55.73 51.16 1pj3 s ARG 3413Cb 0.08 -2.19 -0.10 0.00 -0.45 0.00 0.00 34.95 32.29 1pj3 s ARG 3413CO 0.90 -1.32 1.20 -1.25 -0.68 0.00 0.00 175.30 174.15 1pj3 s PRO 3414N -0.37 4.50 -0.33 3.54 0.04 -1.24 -4.78 135.00 136.35 1pj3 s PRO 3414Ca 0.28 1.99 -0.16 0.00 0.04 0.00 0.00 61.00 63.15 1pj3 s PRO 3414Cb -0.03 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1pj3 s PRO 3414CO -0.16 -0.01 0.39 0.08 0.04 0.00 0.00 177.00 177.34 1pj3 s VAL 3415N -0.94 5.15 -0.20 -0.36 1.01 -1.09 -1.19 120.40 122.79 1pj3 s VAL 3415Ca 0.48 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1pj3 s VAL 3415Cb -0.35 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.25 1pj3 s VAL 3415CO 0.45 -0.05 -0.13 -0.63 0.00 0.00 0.00 175.10 174.73 1pj3 s ILE 3416N 2.09 1.81 -0.29 2.22 1.01 -0.68 -1.12 121.20 126.24 1pj3 s ILE 3416Ca 0.14 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1pj3 s ILE 3416Cb -0.16 -1.80 0.05 0.00 0.01 0.00 0.00 42.46 40.56 1pj3 s ILE 3416CO 0.12 0.28 -0.02 -0.36 0.00 0.00 0.00 174.94 174.95 1pj3 s PHE 3417N 1.34 3.29 -0.86 3.97 0.40 -0.11 -2.73 117.98 123.27 1pj3 s PHE 3417Ca 0.00 -2.02 -0.07 0.00 -0.60 0.00 0.00 56.93 54.24 1pj3 s PHE 3417Cb -0.15 -2.12 0.22 0.00 0.51 0.00 0.00 43.02 41.48 1pj3 s PHE 3417CO -0.09 -0.83 0.77 0.00 0.70 0.00 0.00 175.22 175.77 1pj3 s ALA 3418N 1.21 4.16 -0.85 5.36 0.00 -0.69 0.15 121.76 131.10 1pj3 s ALA 3418Ca -0.05 -3.57 0.26 0.00 0.00 0.00 0.00 51.96 48.60 1pj3 s ALA 3418Cb -0.20 -3.15 0.74 0.00 0.00 0.00 0.00 23.12 20.51 1pj3 s ALA 3418CO -0.02 -2.19 1.62 1.28 0.00 0.00 0.00 175.76 176.44 1pj3 n LEU 3419N 3.13 0.48 -4.77 0.00 4.77 -0.25 -2.08 117.00 118.28 1pj3 n LEU 3419Ca 0.17 0.33 -0.40 0.00 -0.03 0.00 0.00 56.01 56.07 1pj3 n LEU 3419Cb 0.40 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1pj3 n LEU 3419CO 0.37 -0.02 1.08 -0.44 -1.33 0.00 0.00 177.39 177.05 1pj3 s SER 3420N -3.65 6.01 0.13 -1.43 0.01 -1.16 -3.72 113.70 109.90 1pj3 s SER 3420Ca 0.11 2.94 0.09 0.00 1.31 0.00 0.00 55.95 60.39 1pj3 s SER 3420Cb 0.16 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1pj3 s SER 3420CO 0.63 -1.09 -0.20 0.20 0.41 0.00 0.00 173.24 173.19 1pj3 s ASN 3421N -0.43 2.66 0.70 2.44 0.01 -1.26 -3.79 114.94 115.28 1pj3 s ASN 3421Ca 0.59 -0.77 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 1pj3 s ASN 3421Cb -0.44 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.07 1pj3 s ASN 3421CO 0.58 0.03 0.00 -0.81 -1.51 0.00 0.00 177.10 175.38 1pj3 n PRO 3422N 0.73 0.33 -0.24 -0.60 -0.04 -1.26 0.32 135.00 134.24 1pj3 n PRO 3422Ca -0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.25 1pj3 n PRO 3422Cb 0.55 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1pj3 n PRO 3422CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pj3 h THR 3423N -0.70 0.13 -0.24 0.52 2.02 -1.91 0.71 112.91 113.44 1pj3 h THR 3423Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1pj3 h THR 3423Cb 0.00 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1pj3 h THR 3423CO 0.00 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.21 1pj3 h ALA 3424N 1.04 1.82 -0.01 6.16 0.00 -1.95 0.15 119.26 126.47 1pj3 h ALA 3424Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pj3 h ALA 3424Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pj3 h ALA 3424CO -0.75 -0.44 -0.33 1.04 0.00 0.00 0.00 179.25 178.78 1pj3 n GLN 3425N -3.58 1.08 -1.85 0.00 1.13 0.21 -4.47 117.38 109.90 1pj3 n GLN 3425Ca 0.03 -0.77 -0.37 0.00 -1.94 0.00 0.00 57.00 53.96 1pj3 n GLN 3425Cb 0.45 -1.48 0.05 0.00 0.11 0.00 0.00 30.24 29.36 1pj3 n GLN 3425CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pj3 s ALA 3426N -2.45 2.51 0.28 -1.58 0.00 0.52 -1.69 121.76 119.35 1pj3 s ALA 3426Ca 0.23 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1pj3 s ALA 3426Cb 0.19 -3.52 0.42 0.00 0.00 0.00 0.00 23.12 20.20 1pj3 s ALA 3426CO 0.52 -1.41 1.80 0.93 0.00 0.00 0.00 175.76 177.60 1pj3 h GLU 3427N 0.82 0.71 -2.29 0.00 3.07 -1.82 -2.65 114.58 112.42 1pj3 h GLU 3427Ca -0.51 -0.18 0.18 0.00 -0.50 0.00 0.00 59.36 58.36 1pj3 h GLU 3427Cb 1.32 -0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 29.05 1pj3 h GLU 3427CO 0.54 0.72 0.50 0.00 -1.40 0.00 0.00 179.01 179.38 1pj3 s THR 3429N -3.24 3.30 0.09 0.00 -4.23 -1.26 -4.90 115.64 105.40 1pj3 s THR 3429Ca 0.12 -0.87 -0.18 0.00 -1.18 0.00 0.00 61.69 59.59 1pj3 s THR 3429Cb -0.01 -3.15 -0.07 0.00 1.34 0.00 0.00 72.50 70.60 1pj3 s THR 3429CO 0.02 -0.08 1.51 0.00 -0.54 0.00 0.00 174.62 175.54 1pj3 h ALA 3430N 0.55 0.37 -0.34 3.99 0.00 -1.97 -2.11 119.26 119.76 1pj3 h ALA 3430Ca -0.43 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.32 1pj3 h ALA 3430Cb 1.27 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1pj3 h ALA 3430CO 0.50 0.14 -0.19 0.93 0.00 0.00 0.00 179.25 180.63 1pj3 h GLU 3431N 0.27 -0.13 -0.36 0.00 4.39 -1.95 -0.97 114.58 115.82 1pj3 h GLU 3431Ca 0.08 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1pj3 h GLU 3431Cb 0.46 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1pj3 h GLU 3431CO 0.02 -0.09 0.19 0.93 -1.16 0.00 0.00 179.01 178.90 1pj3 h GLU 3432N -0.14 0.51 0.14 2.33 5.08 -1.95 -0.98 114.58 119.58 1pj3 h GLU 3432Ca 0.17 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1pj3 h GLU 3432Cb 0.40 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1pj3 h GLU 3432CO -0.42 0.44 -0.08 0.00 -1.00 0.00 0.00 179.01 177.95 1pj3 h ALA 3433N 1.04 -0.21 -0.19 3.43 0.00 -0.90 -0.58 119.26 121.86 1pj3 h ALA 3433Ca 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1pj3 h ALA 3433Cb 0.09 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pj3 h ALA 3433CO -0.02 -0.62 -0.26 1.88 0.00 0.00 0.00 179.25 180.23 1pj3 h TYR 3434N -0.22 0.62 -0.42 0.00 -1.99 -1.20 -2.88 116.97 110.89 1pj3 h TYR 3434Ca -0.01 -0.20 -0.05 0.00 2.00 0.00 0.00 58.73 60.46 1pj3 h TYR 3434Cb 0.18 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 1pj3 h TYR 3434CO -0.08 0.90 0.07 1.15 -0.00 0.00 0.00 178.16 180.19 1pj3 h THR 3435N 0.16 1.24 0.00 -2.88 2.02 -1.20 0.16 112.91 112.42 1pj3 h THR 3435Ca 0.02 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1pj3 h THR 3435Cb 0.83 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1pj3 h THR 3435CO 0.06 0.31 0.00 0.18 0.37 0.00 0.00 175.52 176.44 1pj3 n LEU 3436N -4.50 0.00 -0.25 2.58 4.77 -0.23 -2.82 117.00 116.55 1pj3 n LEU 3436Ca -0.00 0.43 0.02 0.00 -0.03 0.00 0.00 56.01 56.43 1pj3 n LEU 3436Cb 0.24 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1pj3 n LEU 3436CO 0.39 -0.09 0.53 0.35 -1.33 0.00 0.00 177.39 177.25 1pj3 n THR 3437N -1.43 0.92 -3.38 -5.08 -2.24 -1.09 -4.50 114.28 97.48 1pj3 n THR 3437Ca 0.07 -0.96 -0.24 0.00 -2.27 0.00 0.00 64.05 60.65 1pj3 n THR 3437Cb 0.25 0.55 0.04 0.00 -2.10 0.00 0.00 70.33 69.06 1pj3 n THR 3437CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pj3 n GLU 3438N -0.06 -5.53 -1.19 -0.78 1.02 -0.73 -1.81 120.64 111.55 1pj3 n GLU 3438Ca 0.04 0.76 -0.06 0.00 -0.02 0.00 0.00 57.16 57.88 1pj3 n GLU 3438Cb 0.30 -5.66 -0.03 0.00 -0.02 0.00 0.00 31.44 26.04 1pj3 n GLU 3438CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pj3 n GLY 3439N -1.62 0.86 0.04 0.62 0.00 0.49 -4.91 105.19 100.67 1pj3 n GLY 3439Ca -0.04 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.60 1pj3 n GLY 3439CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj3 n ARG 3440N -2.41 0.12 -2.70 1.61 1.74 -0.75 -4.97 116.66 109.30 1pj3 n ARG 3440Ca -0.06 -0.09 -0.28 0.00 -0.77 0.00 0.00 57.85 56.65 1pj3 n ARG 3440Cb 0.26 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 1pj3 n ARG 3440CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj3 s LEU 3442N -4.59 5.38 0.11 0.00 1.43 -0.33 -4.95 118.68 115.73 1pj3 s LEU 3442Ca 0.48 -1.99 0.02 0.00 -1.03 0.00 0.00 54.13 51.61 1pj3 s LEU 3442Cb -0.10 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1pj3 s LEU 3442CO 0.43 -0.59 0.18 0.12 0.23 0.00 0.00 176.35 176.72 1pj3 s PHE 3443N 1.21 3.36 -0.15 0.29 5.36 -1.26 -1.69 117.98 125.10 1pj3 s PHE 3443Ca 0.07 0.12 -0.20 0.00 -0.96 0.00 0.00 56.93 55.96 1pj3 s PHE 3443Cb -0.24 -1.66 0.05 0.00 -0.34 0.00 0.00 43.02 40.84 1pj3 s PHE 3443CO -0.03 0.54 0.53 0.00 -1.46 0.00 0.00 175.22 174.80 1pj3 s ALA 3444N -1.58 -1.34 0.08 11.12 0.00 -1.10 -3.86 121.76 125.09 1pj3 s ALA 3444Ca 0.33 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.63 1pj3 s ALA 3444Cb -0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1pj3 s ALA 3444CO 0.26 -0.28 -0.08 -1.54 0.00 0.00 0.00 175.76 174.12 1pj3 s SER 3445N -0.22 1.22 0.16 0.00 1.04 -1.06 -1.71 113.70 113.13 1pj3 s SER 3445Ca -0.04 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 55.54 1pj3 s SER 3445Cb -0.03 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1pj3 s SER 3445CO 0.03 -0.31 1.41 1.23 0.98 0.00 0.00 173.24 176.57 1pj3 h GLY 3446N 3.58 0.53 -3.39 7.32 0.00 -1.50 0.68 103.07 110.30 1pj3 h GLY 3446Ca -0.36 -0.75 -0.57 0.00 0.00 0.00 0.00 47.33 45.64 1pj3 h GLY 3446CO 0.54 0.67 -0.61 -0.56 0.00 0.00 0.00 176.54 176.58 1pj3 s SER 3447N -7.00 5.07 0.33 0.19 0.01 -1.26 -4.60 113.70 106.44 1pj3 s SER 3447Ca -0.07 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 1pj3 s SER 3447Cb 0.10 -1.17 -0.11 0.00 0.21 0.00 0.00 66.02 65.05 1pj3 s SER 3447CO 0.85 0.05 1.40 -2.16 0.41 0.00 0.00 173.24 173.79 1pj3 s PRO 3448N -3.23 4.25 -0.02 12.44 0.04 -1.26 -4.98 135.00 142.25 1pj3 s PRO 3448Ca 0.30 2.36 -0.01 0.00 0.04 0.00 0.00 61.00 63.69 1pj3 s PRO 3448Cb -0.09 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1pj3 s PRO 3448CO 0.21 -0.36 0.03 -0.06 0.04 0.00 0.00 177.00 176.87 1pj3 s PHE 3449N -0.91 -0.02 0.75 0.56 0.40 -1.26 -5.03 117.98 112.47 1pj3 s PHE 3449Ca 0.52 0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.83 1pj3 s PHE 3449Cb -0.43 -0.07 0.18 0.00 0.51 0.00 0.00 43.02 43.22 1pj3 s PHE 3449CO 0.55 -0.04 0.73 0.41 0.70 0.00 0.00 175.22 177.56 1pj3 n GLY 3450N 3.44 -2.38 3.77 4.36 0.00 -1.26 -4.75 105.19 108.37 1pj3 n GLY 3450Ca -0.17 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1pj3 n GLY 3450CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pj3 s PRO 3451N -4.65 2.93 -0.23 1.61 0.04 -1.26 -4.67 135.00 128.76 1pj3 s PRO 3451Ca 0.46 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1pj3 s PRO 3451Cb -0.04 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1pj3 s PRO 3451CO 0.35 -1.17 -0.08 0.08 0.04 0.00 0.00 177.00 176.22 1pj3 s VAL 3452N -2.11 2.90 -0.31 -0.36 1.01 0.36 -4.93 120.40 116.95 1pj3 s VAL 3452Ca 0.70 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1pj3 s VAL 3452Cb -0.23 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1pj3 s VAL 3452CO 0.37 0.31 0.17 -0.75 0.00 0.00 0.00 175.10 175.20 1pj3 s LYS 3453N 1.36 3.44 0.74 2.72 2.20 -1.26 -0.48 119.74 128.46 1pj3 s LYS 3453Ca 0.02 -0.66 -0.11 0.00 -0.36 0.00 0.00 55.97 54.87 1pj3 s LYS 3453Cb -0.15 -3.60 0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1pj3 s LYS 3453CO -0.05 -0.39 1.08 -0.51 -0.36 0.00 0.00 175.35 175.12 1pj3 s LEU 3454N 1.65 2.89 0.45 5.43 1.43 -0.06 -4.91 118.68 125.55 1pj3 s LEU 3454Ca 0.05 1.44 0.11 0.00 -1.03 0.00 0.00 54.13 54.70 1pj3 s LEU 3454Cb -0.17 -4.20 1.02 0.00 0.03 0.00 0.00 46.19 42.87 1pj3 s LEU 3454CO 0.07 -1.64 2.07 0.71 0.23 0.00 0.00 176.35 177.79 1pj3 h THR 3455N -0.86 1.03 0.00 5.49 1.35 -1.98 0.13 112.91 118.07 1pj3 h THR 3455Ca -0.45 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1pj3 h THR 3455Cb 1.24 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1pj3 h THR 3455CO 0.59 0.07 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 1pj3 n ASP 3456N -4.49 0.16 0.00 5.36 5.68 -1.26 -4.87 116.55 117.13 1pj3 n ASP 3456Ca 0.03 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.86 1pj3 n ASP 3456Cb 0.14 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 1pj3 n ASP 3456CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pj3 n GLY 3457N 0.01 2.30 3.72 6.12 0.00 0.45 -5.07 105.19 112.73 1pj3 n GLY 3457Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1pj3 n GLY 3457CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj3 s ARG 3458N -0.70 4.22 -0.10 1.61 0.52 -1.26 -4.68 118.95 118.56 1pj3 s ARG 3458Ca 0.00 2.36 -0.03 0.00 -0.52 0.00 0.00 55.73 57.55 1pj3 s ARG 3458Cb 0.00 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 1pj3 s ARG 3458CO 0.00 -0.57 0.01 0.08 0.02 0.00 0.00 175.30 174.83 1pj3 s VAL 3459N 0.86 4.34 -0.10 3.52 1.01 -1.26 -0.88 120.40 127.89 1pj3 s VAL 3459Ca 0.68 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1pj3 s VAL 3459Cb -0.44 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1pj3 s VAL 3459CO 0.34 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.50 1pj3 s PHE 3460N -0.62 1.99 -0.54 5.22 0.08 0.37 -4.91 117.98 119.57 1pj3 s PHE 3460Ca 0.10 -0.91 -0.10 0.00 0.12 0.00 0.00 56.93 56.14 1pj3 s PHE 3460Cb -0.12 -1.42 0.14 0.00 -0.57 0.00 0.00 43.02 41.05 1pj3 s PHE 3460CO 0.02 -0.45 0.42 0.99 -0.10 0.00 0.00 175.22 176.10 1pj3 s THR 3461N 0.89 4.44 0.34 0.64 2.01 -0.31 -0.49 115.64 123.15 1pj3 s THR 3461Ca -0.09 -1.96 -0.28 0.00 0.31 0.00 0.00 61.69 59.68 1pj3 s THR 3461Cb -0.15 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.37 1pj3 s THR 3461CO -0.00 -0.83 1.23 -2.16 -0.69 0.00 0.00 174.62 172.17 1pj3 s PRO 3462N 1.10 4.32 0.53 4.92 0.04 -1.26 -3.22 135.00 141.43 1pj3 s PRO 3462Ca 0.08 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 1pj3 s PRO 3462Cb -0.24 -2.99 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1pj3 s PRO 3462CO -0.02 -0.15 0.80 0.20 0.04 0.00 0.00 177.00 177.87 1pj3 s GLY 3463N -0.73 1.58 -0.44 0.56 0.00 -1.25 -4.93 107.32 102.11 1pj3 s GLY 3463Ca 0.50 -0.82 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 1pj3 s GLY 3463CO 0.47 -0.59 0.28 1.62 0.00 0.00 0.00 173.10 174.89 1pj3 s GLN 3464N -4.80 2.43 -1.15 2.90 0.74 -1.26 -2.56 119.66 115.97 1pj3 s GLN 3464Ca 0.51 -1.66 -0.21 0.00 0.05 0.00 0.00 55.36 54.05 1pj3 s GLN 3464Cb -0.10 -3.80 0.05 0.00 1.10 0.00 0.00 33.01 30.25 1pj3 s GLN 3464CO 0.42 -1.08 1.63 0.20 -0.55 0.00 0.00 175.29 175.91 1pj3 s GLY 3465N 2.31 1.32 -0.02 2.59 0.00 0.23 -4.89 107.32 108.87 1pj3 s GLY 3465Ca 0.05 -2.51 0.02 0.00 0.00 0.00 0.00 44.72 42.28 1pj3 s GLY 3465CO -0.00 2.79 -0.06 0.21 0.00 0.00 0.00 173.10 176.03 1pj3 s ASN 3466N 4.87 0.82 0.00 1.64 3.84 -1.26 -4.01 114.94 120.84 1pj3 s ASN 3466Ca 0.52 -0.12 0.00 0.00 0.21 0.00 0.00 52.86 53.47 1pj3 s ASN 3466Cb 0.01 -0.19 0.00 0.00 -0.55 0.00 0.00 41.25 40.52 1pj3 s ASN 3466CO -0.00 0.04 0.57 -0.46 -2.79 0.00 0.00 177.10 174.46 1pj3 n ASN 3467N 3.24 0.00 0.20 -4.21 0.23 -1.26 -1.76 115.26 111.71 1pj3 n ASN 3467Ca -0.17 0.09 0.14 0.00 -0.53 0.00 0.00 54.58 54.12 1pj3 n ASN 3467Cb 0.56 -0.09 0.65 0.00 -2.08 0.00 0.00 39.78 38.82 1pj3 n ASN 3467CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1pj3 h VAL 3468N 0.00 0.00 0.00 3.53 3.04 -1.95 0.90 116.25 121.77 1pj3 h VAL 3468Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1pj3 h VAL 3468Cb 0.01 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 1pj3 h VAL 3468CO 0.00 0.00 -0.03 -1.22 -1.01 0.00 0.00 177.57 175.31 1pj3 n TYR 3469N -2.54 0.67 -0.02 3.17 4.02 -0.72 -4.40 117.16 117.35 1pj3 n TYR 3469Ca 0.00 0.20 -0.06 0.00 -0.01 0.00 0.00 57.90 58.03 1pj3 n TYR 3469Cb 0.18 -0.81 -0.02 0.00 -0.02 0.00 0.00 39.34 38.67 1pj3 n TYR 3469CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1pj3 n ILE 3470N -2.05 0.91 -0.12 -0.72 2.08 0.21 -4.74 119.36 114.93 1pj3 n ILE 3470Ca 0.06 0.10 0.16 0.00 0.56 0.00 0.00 62.75 63.63 1pj3 n ILE 3470Cb 0.41 -1.73 0.54 0.00 -0.75 0.00 0.00 39.64 38.11 1pj3 n ILE 3470CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1pj3 h PHE 3471N -0.32 0.39 0.43 1.39 -5.15 -1.51 -1.96 116.94 110.20 1pj3 h PHE 3471Ca -0.11 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.65 1pj3 h PHE 3471Cb 0.75 -0.12 0.00 0.00 0.22 0.00 0.00 35.95 36.80 1pj3 h PHE 3471CO -0.08 0.15 -0.21 -1.35 -2.00 0.00 0.00 178.31 174.82 1pj3 h PRO 3472N 0.34 -0.55 -0.70 6.09 0.11 -1.82 -0.74 132.00 134.72 1pj3 h PRO 3472Ca 0.33 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1pj3 h PRO 3472Cb 0.84 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1pj3 h PRO 3472CO -0.09 -0.28 0.44 0.78 -0.21 0.00 0.00 178.00 178.63 1pj3 h GLY 3473N -0.74 1.00 0.98 -0.55 0.00 -1.67 -1.40 103.07 100.69 1pj3 h GLY 3473Ca -0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1pj3 h GLY 3473CO 0.10 0.39 0.05 -2.08 0.00 0.00 0.00 176.54 175.00 1pj3 h VAL 3474N 0.95 1.25 -0.50 4.60 2.07 -1.37 -2.15 116.25 121.09 1pj3 h VAL 3474Ca 0.25 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1pj3 h VAL 3474Cb -0.06 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1pj3 h VAL 3474CO -0.05 0.34 0.29 0.00 0.02 0.00 0.00 177.57 178.16 1pj3 h ALA 3475N 0.94 0.64 -0.54 1.67 0.00 -0.91 -0.16 119.26 120.90 1pj3 h ALA 3475Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pj3 h ALA 3475Cb 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1pj3 h ALA 3475CO 0.01 0.15 0.36 1.25 0.00 0.00 0.00 179.25 181.02 1pj3 h LEU 3476N 0.67 0.62 0.09 0.00 5.85 -1.12 0.32 115.31 121.74 1pj3 h LEU 3476Ca 0.18 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1pj3 h LEU 3476Cb 0.03 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1pj3 h LEU 3476CO -0.03 0.45 -0.04 0.00 -0.34 0.00 0.00 178.44 178.48 1pj3 h ALA 3477N 1.20 -0.12 -0.54 1.25 0.00 -1.11 -0.20 119.26 119.74 1pj3 h ALA 3477Ca 0.20 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1pj3 h ALA 3477Cb -0.08 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1pj3 h ALA 3477CO -0.04 -0.49 0.28 0.28 0.00 0.00 0.00 179.25 179.29 1pj3 h VAL 3478N -0.29 0.97 0.03 0.00 2.07 -0.84 -0.53 116.25 117.66 1pj3 h VAL 3478Ca -0.01 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1pj3 h VAL 3478Cb 0.24 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1pj3 h VAL 3478CO 0.02 0.10 -0.01 0.40 0.02 0.00 0.00 177.57 178.10 1pj3 h ILE 3479N 0.55 1.04 -0.27 4.57 1.08 -0.83 -2.36 117.51 121.30 1pj3 h ILE 3479Ca 0.23 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 1pj3 h ILE 3479Cb 0.12 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1pj3 h ILE 3479CO -0.15 0.06 0.07 -0.07 -0.69 0.00 0.00 178.15 177.36 1pj3 h LEU 3480N -0.13 0.34 -1.14 1.44 3.38 -0.71 -2.63 115.31 115.85 1pj3 h LEU 3480Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pj3 h LEU 3480Cb 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1pj3 h LEU 3480CO 0.01 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.88 1pj3 n ASN 3482N 0.37 -5.05 -4.77 0.00 5.03 -0.98 -0.40 115.26 109.46 1pj3 n ASN 3482Ca 0.18 -0.42 -0.41 0.00 0.87 0.00 0.00 54.58 54.80 1pj3 n ASN 3482Cb 0.38 -4.09 -0.01 0.00 -1.02 0.00 0.00 39.78 35.03 1pj3 n ASN 3482CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pj3 s THR 3483N -3.12 2.35 -0.11 3.41 2.01 -0.92 -3.90 115.64 115.36 1pj3 s THR 3483Ca 0.42 0.34 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 1pj3 s THR 3483Cb -0.20 -3.21 -0.25 0.00 0.01 0.00 0.00 72.50 68.84 1pj3 s THR 3483CO 0.52 0.07 0.39 0.54 -0.69 0.00 0.00 174.62 175.45 1pj3 n ARG 3484N 1.15 0.73 -4.04 4.92 1.74 -1.26 -4.88 116.66 115.02 1pj3 n ARG 3484Ca 0.03 0.26 -0.09 0.00 -0.77 0.00 0.00 57.85 57.28 1pj3 n ARG 3484Cb 0.40 -1.71 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 1pj3 n ARG 3484CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1pj3 s HIS 3485N -2.56 0.42 -0.26 -1.55 3.76 -1.26 -2.72 115.29 111.12 1pj3 s HIS 3485Ca -0.19 -0.76 -0.01 0.00 -0.15 0.00 0.00 55.06 53.95 1pj3 s HIS 3485Cb 0.07 -0.30 0.04 0.00 1.11 0.00 0.00 32.58 33.50 1pj3 s HIS 3485CO 0.77 -0.26 -0.07 0.42 -0.85 0.00 0.00 174.74 174.76 1pj3 s ILE 3486N -2.54 2.71 0.61 0.60 1.01 -1.26 -5.02 121.20 117.31 1pj3 s ILE 3486Ca -0.05 -1.21 -0.08 0.00 0.00 0.00 0.00 60.65 59.32 1pj3 s ILE 3486Cb -0.02 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1pj3 s ILE 3486CO -0.05 0.12 0.95 -0.94 0.00 0.00 0.00 174.94 175.02 1pj3 s SER 3487N 1.27 5.74 0.43 3.58 1.04 -1.26 -4.97 113.70 119.53 1pj3 s SER 3487Ca -0.02 0.94 0.20 0.00 0.48 0.00 0.00 55.95 57.55 1pj3 s SER 3487Cb -0.18 -1.95 0.98 0.00 0.10 0.00 0.00 66.02 64.98 1pj3 s SER 3487CO -0.04 -1.03 1.89 0.44 0.98 0.00 0.00 173.24 175.48 1pj3 h ASP 3488N -0.25 0.00 -0.17 7.02 3.32 -2.02 -2.50 116.42 121.82 1pj3 h ASP 3488Ca -0.45 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.65 1pj3 h ASP 3488Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1pj3 h ASP 3488CO 0.62 0.27 0.13 0.77 -1.72 0.00 0.00 179.24 179.30 1pj3 h SER 3489N 0.00 0.00 -0.62 6.45 4.64 -1.99 -0.80 113.55 121.23 1pj3 h SER 3489Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1pj3 h SER 3489Cb 0.60 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.65 1pj3 h SER 3489CO 0.04 0.00 0.37 0.58 -0.87 0.00 0.00 176.83 176.95 1pj3 h VAL 3490N 0.00 1.06 -0.03 0.95 2.07 -1.83 0.61 116.25 119.07 1pj3 h VAL 3490Ca 0.08 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1pj3 h VAL 3490Cb 0.33 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1pj3 h VAL 3490CO -0.00 0.13 -0.52 -0.26 0.02 0.00 0.00 177.57 176.94 1pj3 h PHE 3491N 0.73 0.12 -0.62 1.57 -1.00 -1.31 0.21 116.94 116.64 1pj3 h PHE 3491Ca 0.25 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.94 1pj3 h PHE 3491Cb 0.04 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.55 1pj3 h PHE 3491CO -0.06 0.60 0.18 1.25 -1.61 0.00 0.00 178.31 178.67 1pj3 h LEU 3492N 0.07 0.91 -0.62 1.54 6.46 -0.82 0.26 115.31 123.11 1pj3 h LEU 3492Ca -0.00 -0.22 -0.11 0.00 -0.12 0.00 0.00 57.88 57.44 1pj3 h LEU 3492Cb 0.95 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 1pj3 h LEU 3492CO 0.07 0.89 -0.07 -0.08 -0.62 0.00 0.00 178.44 178.64 1pj3 h GLU 3493N 0.89 1.01 -0.60 1.25 4.57 -0.47 -2.42 114.58 118.82 1pj3 h GLU 3493Ca 0.20 -0.35 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 1pj3 h GLU 3493Cb 0.32 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1pj3 h GLU 3493CO -0.00 1.03 0.04 0.00 -1.18 0.00 0.00 179.01 178.89 1pj3 h ALA 3494N 1.00 0.93 -0.54 2.92 0.00 -0.37 -0.61 119.26 122.59 1pj3 h ALA 3494Ca 0.15 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1pj3 h ALA 3494Cb 0.62 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1pj3 h ALA 3494CO 0.04 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.21 1pj3 h ALA 3495N 1.09 0.69 -0.37 0.00 0.00 -0.17 -1.07 119.26 119.43 1pj3 h ALA 3495Ca 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1pj3 h ALA 3495Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1pj3 h ALA 3495CO 0.02 -0.08 0.03 0.87 0.00 0.00 0.00 179.25 180.09 1pj3 h LYS 3496N 0.51 0.63 -0.36 0.00 1.57 -1.10 -2.74 116.57 115.08 1pj3 h LYS 3496Ca 0.24 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1pj3 h LYS 3496Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1pj3 h LYS 3496CO -0.17 0.72 0.24 0.00 -0.57 0.00 0.00 179.45 179.66 1pj3 h ALA 3497N 0.89 1.82 0.33 3.86 0.00 -0.67 -0.29 119.26 125.20 1pj3 h ALA 3497Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1pj3 h ALA 3497Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pj3 h ALA 3497CO 0.01 0.15 -0.16 1.25 0.00 0.00 0.00 179.25 180.50 1pj3 h LEU 3498N 0.43 -0.38 -1.97 0.00 5.85 -1.03 -3.31 115.31 114.90 1pj3 h LEU 3498Ca 0.14 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1pj3 h LEU 3498Cb 0.05 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1pj3 h LEU 3498CO -0.03 -0.09 0.17 0.00 -0.34 0.00 0.00 178.44 178.14 1pj3 h THR 3499N -0.80 0.90 0.00 1.05 1.03 -1.44 -1.82 112.91 111.83 1pj3 h THR 3499Ca -0.05 -0.01 -0.00 0.00 -0.01 0.00 0.00 66.41 66.34 1pj3 h THR 3499Cb 0.34 0.86 -0.00 0.00 -1.07 0.00 0.00 68.15 68.28 1pj3 h THR 3499CO 0.08 0.01 -0.01 0.77 -0.01 0.00 0.00 175.52 176.36 1pj3 h SER 3500N 0.04 0.00 -0.08 0.00 4.64 -1.13 -0.45 113.55 116.56 1pj3 h SER 3500Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1pj3 h SER 3500Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1pj3 h SER 3500CO -0.01 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1pj3 n GLN 3501N -3.37 1.90 -2.61 4.77 6.02 -0.68 -4.88 117.38 118.53 1pj3 n GLN 3501Ca -0.03 -1.32 -0.42 0.00 -0.01 0.00 0.00 57.00 55.22 1pj3 n GLN 3501Cb 0.09 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 1pj3 n GLN 3501CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1pj3 s LEU 3502N -1.86 4.36 0.28 1.08 0.20 -0.18 -4.85 118.68 117.70 1pj3 s LEU 3502Ca 0.35 1.76 0.03 0.00 0.69 0.00 0.00 54.13 56.96 1pj3 s LEU 3502Cb 0.20 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.36 1pj3 s LEU 3502CO 0.31 -0.35 0.42 0.42 -0.29 0.00 0.00 176.35 176.86 1pj3 s THR 3503N 1.17 5.21 0.10 3.68 -4.23 -1.26 -5.00 115.64 115.31 1pj3 s THR 3503Ca 0.54 -0.81 -0.31 0.00 -1.18 0.00 0.00 61.69 59.93 1pj3 s THR 3503Cb -0.23 -3.86 -0.12 0.00 1.34 0.00 0.00 72.50 69.62 1pj3 s THR 3503CO 0.27 -0.41 1.60 0.44 -0.54 0.00 0.00 174.62 175.99 1pj3 h ASP 3504N 1.03 -1.06 -0.90 3.99 3.45 -1.99 -1.10 116.42 119.84 1pj3 h ASP 3504Ca -0.51 0.10 0.18 0.00 0.43 0.00 0.00 57.03 57.23 1pj3 h ASP 3504Cb 1.23 0.38 -0.11 0.00 -0.56 0.00 0.00 39.33 40.26 1pj3 h ASP 3504CO 0.61 -0.50 0.46 -0.08 -1.57 0.00 0.00 179.24 178.16 1pj3 h GLU 3505N -0.72 0.56 0.00 3.56 4.81 -2.00 0.43 114.58 121.23 1pj3 h GLU 3505Ca -0.01 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1pj3 h GLU 3505Cb 0.68 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1pj3 h GLU 3505CO -0.13 0.37 -0.35 0.93 -0.73 0.00 0.00 179.01 179.10 1pj3 h GLU 3506N 0.58 0.00 -0.17 1.92 5.08 -1.84 -2.35 114.58 117.80 1pj3 h GLU 3506Ca 0.52 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.73 1pj3 h GLU 3506Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1pj3 h GLU 3506CO -0.42 0.35 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.34 1pj3 h LEU 3507N 0.00 0.55 -0.39 1.33 3.38 0.11 -2.23 115.31 118.06 1pj3 h LEU 3507Ca -0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1pj3 h LEU 3507Cb 0.75 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1pj3 h LEU 3507CO 0.05 0.98 0.22 0.00 0.09 0.00 0.00 178.44 179.78 1pj3 h ALA 3508N 1.03 0.50 -0.35 1.53 0.00 -0.57 -1.98 119.26 119.42 1pj3 h ALA 3508Ca 0.01 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1pj3 h ALA 3508Cb 1.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1pj3 h ALA 3508CO 0.10 0.01 0.30 1.96 0.00 0.00 0.00 179.25 181.62 1pj3 h GLN 3509N 0.51 0.00 0.00 0.00 4.20 -1.43 -3.45 115.11 114.94 1pj3 h GLN 3509Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1pj3 h GLN 3509Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1pj3 h GLN 3509CO -0.02 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.55 1pj3 n GLY 3510N -1.53 1.59 3.64 3.46 0.00 -0.75 -1.17 105.19 110.44 1pj3 n GLY 3510Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1pj3 n GLY 3510CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj3 s ARG 3511N -0.10 4.17 0.00 1.61 0.52 -0.85 -4.16 118.95 120.14 1pj3 s ARG 3511Ca 0.00 0.75 0.22 0.00 -0.52 0.00 0.00 55.73 56.18 1pj3 s ARG 3511Cb 0.00 -3.63 0.55 0.00 0.52 0.00 0.00 34.95 32.39 1pj3 s ARG 3511CO 0.00 -0.42 1.45 1.28 0.02 0.00 0.00 175.30 177.64 1pj3 n LEU 3512N 5.67 2.68 -3.88 2.53 4.77 -1.26 -4.20 117.00 123.30 1pj3 n LEU 3512Ca 0.02 -1.14 -0.10 0.00 -0.03 0.00 0.00 56.01 54.77 1pj3 n LEU 3512Cb 0.48 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1pj3 n LEU 3512CO 0.45 0.57 -0.13 -0.31 -1.33 0.00 0.00 177.39 176.64 1pj3 s TYR 3513N -1.63 0.12 0.73 -1.77 1.51 -1.26 -4.46 117.35 110.58 1pj3 s TYR 3513Ca 0.35 -0.41 -0.15 0.00 -1.01 0.00 0.00 57.07 55.86 1pj3 s TYR 3513Cb 0.20 -0.07 0.04 0.00 -0.11 0.00 0.00 41.96 42.02 1pj3 s TYR 3513CO 0.29 -0.43 1.21 -2.14 -1.11 0.00 0.00 175.55 173.37 1pj3 s PRO 3514N -2.83 2.15 0.22 -1.71 0.02 -1.26 -4.88 135.00 126.72 1pj3 s PRO 3514Ca -0.03 1.79 -0.31 0.00 0.02 0.00 0.00 61.00 62.46 1pj3 s PRO 3514Cb 0.00 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.55 1pj3 s PRO 3514CO -0.05 -1.83 1.29 -2.30 -0.33 0.00 0.00 177.00 173.77 1pj3 n PRO 3515N -2.67 1.68 0.24 5.54 -0.02 -1.26 -4.84 135.00 133.67 1pj3 n PRO 3515Ca 0.14 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 1pj3 n PRO 3515Cb 0.50 -2.17 0.69 0.00 -0.02 0.00 0.00 33.50 32.49 1pj3 n PRO 3515CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pj3 h LEU 3516N 3.67 0.00 -2.90 2.45 5.85 -2.00 -1.69 115.31 120.70 1pj3 h LEU 3516Ca -0.44 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1pj3 h LEU 3516Cb 1.30 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1pj3 h LEU 3516CO 0.72 0.00 -0.00 0.00 -0.34 0.00 0.00 178.44 178.82 1pj3 h ALA 3517N 1.97 1.01 -0.30 1.25 0.00 -1.96 -1.72 119.26 119.50 1pj3 h ALA 3517Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pj3 h ALA 3517Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pj3 h ALA 3517CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1pj3 n ASN 3518N -3.10 3.86 -0.30 0.00 4.13 -0.63 -4.71 115.26 114.50 1pj3 n ASN 3518Ca -0.03 -2.82 0.27 0.00 1.68 0.00 0.00 54.58 53.68 1pj3 n ASN 3518Cb 0.08 -0.50 0.61 0.00 -1.54 0.00 0.00 39.78 38.44 1pj3 n ASN 3518CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1pj3 h ILE 3519N 2.04 0.49 0.63 2.41 -0.00 -1.39 -0.31 117.51 121.38 1pj3 h ILE 3519Ca 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 64.86 64.75 1pj3 h ILE 3519Cb 1.35 0.25 0.01 0.00 -0.00 0.00 0.00 36.82 38.43 1pj3 h ILE 3519CO 0.20 0.04 -0.30 1.56 -0.00 0.00 0.00 178.15 179.65 1pj3 h GLN 3520N 0.22 -0.81 -0.84 2.19 7.50 -1.84 0.25 115.11 121.78 1pj3 h GLN 3520Ca 0.56 0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.74 1pj3 h GLN 3520Cb 1.76 0.18 -0.04 0.00 0.05 0.00 0.00 27.48 29.44 1pj3 h GLN 3520CO -0.17 -0.52 0.41 1.49 -1.50 0.00 0.00 178.83 178.55 1pj3 h GLU 3521N -0.92 1.19 -0.69 1.46 4.81 -1.58 -2.09 114.58 116.76 1pj3 h GLU 3521Ca -0.09 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1pj3 h GLU 3521Cb 0.67 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1pj3 h GLU 3521CO 0.14 0.91 0.27 0.28 -0.73 0.00 0.00 179.01 179.88 1pj3 h VAL 3522N 1.19 1.25 -0.71 0.32 2.07 -0.95 -1.05 116.25 118.36 1pj3 h VAL 3522Ca 0.29 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1pj3 h VAL 3522Cb 0.10 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1pj3 h VAL 3522CO -0.04 0.31 0.20 0.28 0.02 0.00 0.00 177.57 178.35 1pj3 h SER 3523N 0.99 1.05 -0.48 0.57 0.02 -0.64 -1.68 113.55 113.38 1pj3 h SER 3523Ca 0.23 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1pj3 h SER 3523Cb 0.22 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1pj3 h SER 3523CO -0.02 0.99 0.02 0.40 -1.14 0.00 0.00 176.83 177.08 1pj3 h ILE 3524N 1.07 1.26 -0.55 3.27 1.08 -1.05 -0.37 117.51 122.21 1pj3 h ILE 3524Ca 0.23 -1.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.64 1pj3 h ILE 3524Cb 0.33 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 1pj3 h ILE 3524CO -0.00 0.36 0.21 0.78 -0.69 0.00 0.00 178.15 178.80 1pj3 h ASN 3525N 0.68 0.74 -0.32 1.72 2.35 -0.97 -0.39 115.58 119.38 1pj3 h ASN 3525Ca 0.14 -0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 1pj3 h ASN 3525Cb 0.48 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1pj3 h ASN 3525CO 0.02 0.67 -0.37 0.40 -1.65 0.00 0.00 177.43 176.51 1pj3 h ILE 3526N 0.79 1.28 -0.42 2.81 2.04 -0.90 -1.82 117.51 121.29 1pj3 h ILE 3526Ca 0.19 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1pj3 h ILE 3526Cb 0.18 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1pj3 h ILE 3526CO -0.02 0.51 0.24 0.00 0.00 0.00 0.00 178.15 178.89 1pj3 h ALA 3527N 0.86 0.54 -0.25 1.87 0.00 -0.41 0.12 119.26 122.00 1pj3 h ALA 3527Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1pj3 h ALA 3527Cb 0.94 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1pj3 h ALA 3527CO 0.09 0.05 0.07 0.82 0.00 0.00 0.00 179.25 180.28 1pj3 h ILE 3528N 0.56 0.92 -0.23 0.00 2.04 -0.95 0.35 117.51 120.18 1pj3 h ILE 3528Ca 0.15 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1pj3 h ILE 3528Cb 0.03 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1pj3 h ILE 3528CO -0.03 0.03 0.09 0.11 0.00 0.00 0.00 178.15 178.36 1pj3 h LYS 3529N 0.18 0.35 -0.21 2.37 6.56 -1.05 -1.53 116.57 123.23 1pj3 h LYS 3529Ca 0.11 -0.06 -0.06 0.00 -1.06 0.00 0.00 60.65 59.58 1pj3 h LYS 3529Cb 0.09 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 1pj3 h LYS 3529CO -0.13 0.40 -0.12 0.28 -2.06 0.00 0.00 179.45 177.82 1pj3 h VAL 3530N 0.23 1.20 -0.21 0.50 2.07 -0.46 -1.19 116.25 118.38 1pj3 h VAL 3530Ca 0.08 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1pj3 h VAL 3530Cb 0.17 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1pj3 h VAL 3530CO -0.01 0.28 0.04 0.74 0.02 0.00 0.00 177.57 178.64 1pj3 h THR 3531N 0.33 1.22 -0.89 2.57 2.02 0.07 0.15 112.91 118.38 1pj3 h THR 3531Ca 0.06 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1pj3 h THR 3531Cb 0.42 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1pj3 h THR 3531CO 0.02 0.23 0.51 -0.33 0.37 0.00 0.00 175.52 176.32 1pj3 h GLU 3532N 0.15 1.22 -0.46 6.66 5.08 -0.99 -1.37 114.58 124.86 1pj3 h GLU 3532Ca 0.06 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1pj3 h GLU 3532Cb 0.31 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1pj3 h GLU 3532CO 0.00 0.87 0.18 -0.92 -1.00 0.00 0.00 179.01 178.14 1pj3 h TYR 3533N 1.23 0.71 -0.57 4.33 3.20 -0.91 0.26 116.97 125.22 1pj3 h TYR 3533Ca 0.32 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 1pj3 h TYR 3533Cb -0.02 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1pj3 h TYR 3533CO 0.01 0.61 0.04 -0.07 -1.64 0.00 0.00 178.16 177.10 1pj3 h LEU 3534N 0.60 0.92 -0.23 2.82 3.38 -0.48 -1.51 115.31 120.81 1pj3 h LEU 3534Ca 0.15 -0.23 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1pj3 h LEU 3534Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1pj3 h LEU 3534CO -0.01 0.96 -0.54 1.88 0.09 0.00 0.00 178.44 180.81 1pj3 h TYR 3535N 0.89 0.99 -0.68 1.13 -1.99 -1.08 -2.64 116.97 113.59 1pj3 h TYR 3535Ca 0.17 -0.37 -0.02 0.00 2.00 0.00 0.00 58.73 60.51 1pj3 h TYR 3535Cb 0.47 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 1pj3 h TYR 3535CO 0.03 1.18 0.36 0.00 -0.00 0.00 0.00 178.16 179.74 1pj3 h ALA 3536N 0.62 1.35 -0.71 3.88 0.00 -0.77 -2.62 119.26 121.02 1pj3 h ALA 3536Ca -0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 1pj3 h ALA 3536Cb 1.16 -0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.52 1pj3 h ALA 3536CO 0.12 0.52 0.31 0.09 0.00 0.00 0.00 179.25 180.29 1pj3 n ASN 3537N -4.36 4.38 -3.04 0.00 3.02 -0.58 -5.09 115.26 109.58 1pj3 n ASN 3537Ca 0.07 -3.14 -0.09 0.00 -0.03 0.00 0.00 54.58 51.39 1pj3 n ASN 3537Cb 0.11 -0.74 0.01 0.00 -0.61 0.00 0.00 39.78 38.55 1pj3 n ASN 3537CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pj3 n LYS 3538N -0.25 -1.97 -0.25 3.52 4.01 -0.99 -5.02 118.16 117.21 1pj3 n LYS 3538Ca 0.40 1.77 0.00 0.00 -0.51 0.00 0.00 58.31 59.97 1pj3 n LYS 3538Cb 1.33 -3.39 0.00 0.00 -0.51 0.00 0.00 35.03 32.46 1pj3 n LYS 3538CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pj3 n ALA 3540N 0.56 -1.00 0.02 7.82 0.00 -1.01 -5.04 120.51 121.87 1pj3 n ALA 3540Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 1pj3 n ALA 3540Cb 0.37 -0.10 0.05 0.00 0.00 0.00 0.00 19.45 19.77 1pj3 n ALA 3540CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pj3 n PHE 3541N -0.07 0.13 -2.40 0.00 3.01 0.47 -4.93 117.46 113.67 1pj3 n PHE 3541Ca 0.00 -0.32 -0.43 0.00 1.01 0.00 0.00 57.45 57.71 1pj3 n PHE 3541Cb 0.00 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.42 1pj3 n PHE 3541CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1pj3 s ARG 3542N -0.79 4.25 0.08 -1.08 3.00 -0.88 -4.94 118.95 118.57 1pj3 s ARG 3542Ca 0.09 1.70 0.10 0.00 -1.00 0.00 0.00 55.73 56.61 1pj3 s ARG 3542Cb 0.05 -3.74 -0.03 0.00 0.00 0.00 0.00 34.95 31.23 1pj3 s ARG 3542CO 0.07 -0.67 -0.26 1.52 0.00 0.00 0.00 175.30 175.96 1pj3 s TYR 3543N 3.31 2.23 0.91 5.12 -0.85 -1.26 -4.11 117.35 122.69 1pj3 s TYR 3543Ca 0.56 -0.40 -0.13 0.00 -0.52 0.00 0.00 57.07 56.58 1pj3 s TYR 3543Cb -0.23 -1.28 0.14 0.00 0.38 0.00 0.00 41.96 40.97 1pj3 s TYR 3543CO 0.17 0.20 1.18 -1.25 -1.52 0.00 0.00 175.55 174.32 1pj3 s PRO 3544N -1.55 1.17 -0.03 -3.49 0.04 -1.26 -5.09 135.00 124.80 1pj3 s PRO 3544Ca 0.12 0.11 -0.30 0.00 0.04 0.00 0.00 61.00 60.97 1pj3 s PRO 3544Cb -0.10 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1pj3 s PRO 3544CO 0.03 -2.14 1.12 -2.00 0.04 0.00 0.00 177.00 174.05 1pj3 s GLU 3545N -5.47 4.42 0.29 4.56 2.12 -1.26 -4.99 118.70 118.38 1pj3 s GLU 3545Ca 0.65 1.60 -0.30 0.00 0.36 0.00 0.00 54.97 57.28 1pj3 s GLU 3545Cb -0.12 -3.49 -0.11 0.00 0.26 0.00 0.00 34.13 30.68 1pj3 s GLU 3545CO 0.52 -0.30 1.50 -2.14 -0.54 0.00 0.00 175.26 174.30 1pj3 s PRO 3546N 1.67 4.20 0.05 4.30 0.02 -1.26 -4.91 135.00 139.06 1pj3 s PRO 3546Ca 0.54 2.44 -0.19 0.00 0.02 0.00 0.00 61.00 63.81 1pj3 s PRO 3546Cb -0.24 -3.06 -0.14 0.00 0.02 0.00 0.00 34.50 31.08 1pj3 s PRO 3546CO 0.24 -0.50 1.33 0.93 -0.33 0.00 0.00 177.00 178.67 1pj3 h GLU 3547N 4.64 0.42 -4.27 5.54 4.39 -2.05 -3.39 114.58 119.87 1pj3 h GLU 3547Ca -0.47 -0.24 -0.72 0.00 0.34 0.00 0.00 59.36 58.26 1pj3 h GLU 3547Cb 1.22 0.02 -0.30 0.00 -0.10 0.00 0.00 28.75 29.59 1pj3 h GLU 3547CO 0.76 0.82 -0.39 0.34 -1.16 0.00 0.00 179.01 179.39 1pj3 s ASP 3548N -6.26 5.69 0.27 1.42 -1.08 -1.26 -4.97 116.67 110.47 1pj3 s ASP 3548Ca -0.14 -1.97 -0.04 0.00 -0.52 0.00 0.00 52.55 49.87 1pj3 s ASP 3548Cb 0.06 -2.00 0.32 0.00 -1.46 0.00 0.00 42.92 39.84 1pj3 s ASP 3548CO 0.77 -0.67 1.92 0.11 0.52 0.00 0.00 175.17 177.82 1pj3 h LYS 3549N 8.37 1.20 -0.45 4.34 6.56 -1.96 -1.47 116.57 133.16 1pj3 h LYS 3549Ca -0.19 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.29 1pj3 h LYS 3549Cb 1.07 -0.26 -0.02 0.00 -0.57 0.00 0.00 32.23 32.45 1pj3 h LYS 3549CO 0.85 0.83 0.24 0.00 -2.06 0.00 0.00 179.45 179.30 1pj3 h ALA 3550N 1.39 0.57 -0.44 3.86 0.00 -1.93 -1.82 119.26 120.89 1pj3 h ALA 3550Ca 0.32 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1pj3 h ALA 3550Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1pj3 h ALA 3550CO -0.06 0.10 -0.00 -0.22 0.00 0.00 0.00 179.25 179.07 1pj3 h LYS 3551N 0.58 0.78 -0.06 0.00 3.64 -1.94 -2.07 116.57 117.51 1pj3 h LYS 3551Ca 0.16 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1pj3 h LYS 3551Cb 0.06 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1pj3 h LYS 3551CO -0.02 0.85 -0.32 -0.92 -2.27 0.00 0.00 179.45 176.76 1pj3 h TYR 3552N 0.63 -0.88 0.19 1.91 3.20 -1.00 -1.19 116.97 119.82 1pj3 h TYR 3552Ca 0.13 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1pj3 h TYR 3552Cb 0.50 0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1pj3 h TYR 3552CO 0.04 -0.41 -0.09 0.28 -1.64 0.00 0.00 178.16 176.34 1pj3 h VAL 3553N -0.44 0.89 -0.56 1.81 2.07 -1.34 -3.15 116.25 115.54 1pj3 h VAL 3553Ca 0.08 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.31 1pj3 h VAL 3553Cb 0.55 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1pj3 h VAL 3553CO -0.30 0.09 0.38 0.11 0.02 0.00 0.00 177.57 177.86 1pj3 h LYS 3554N -0.44 0.32 0.00 1.57 1.57 -1.26 -1.43 116.57 116.90 1pj3 h LYS 3554Ca -0.03 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1pj3 h LYS 3554Cb 0.34 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1pj3 h LYS 3554CO 0.04 0.21 -0.01 0.93 -0.57 0.00 0.00 179.45 180.06 1pj3 h GLU 3555N 0.33 0.00 -0.37 3.15 5.08 -1.18 -3.25 114.58 118.33 1pj3 h GLU 3555Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1pj3 h GLU 3555Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1pj3 h GLU 3555CO -0.06 0.01 0.00 0.54 -1.00 0.00 0.00 179.01 178.49 1pj3 n ARG 3556N -3.10 2.34 -2.56 2.33 1.74 -0.55 -4.96 116.66 111.90 1pj3 n ARG 3556Ca 0.02 -2.11 -0.42 0.00 -0.77 0.00 0.00 57.85 54.57 1pj3 n ARG 3556Cb 0.38 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 1pj3 n ARG 3556CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pj3 s THR 3557N -1.19 4.24 0.34 0.55 -4.23 -1.18 -4.92 115.64 109.25 1pj3 s THR 3557Ca 0.32 1.74 -0.28 0.00 -1.18 0.00 0.00 61.69 62.28 1pj3 s THR 3557Cb 0.18 -4.11 -0.10 0.00 1.34 0.00 0.00 72.50 69.81 1pj3 s THR 3557CO 0.25 0.21 1.29 0.86 -0.54 0.00 0.00 174.62 176.69 1pj3 s TRP 3558N 0.49 3.05 0.13 3.99 -0.00 0.19 -5.03 118.94 121.75 1pj3 s TRP 3558Ca 0.53 1.43 0.08 0.00 -0.00 0.00 0.00 56.10 58.13 1pj3 s TRP 3558Cb -0.27 -3.65 -0.04 0.00 -0.00 0.00 0.00 33.47 29.51 1pj3 s TRP 3558CO 0.31 -1.81 -0.10 0.50 -0.00 0.00 0.00 176.95 175.85 1pj3 s ARG 3559N -1.84 2.11 0.00 5.86 6.06 -1.26 -4.65 118.95 125.22 1pj3 s ARG 3559Ca 0.50 -1.09 0.27 0.00 -2.50 0.00 0.00 55.73 52.90 1pj3 s ARG 3559Cb -0.39 -2.27 0.80 0.00 0.06 0.00 0.00 34.95 33.15 1pj3 s ARG 3559CO 0.52 0.49 1.61 -1.13 -2.50 0.00 0.00 175.30 174.29 1pj3 n SER 3560N 0.51 0.42 -4.77 -2.12 3.41 -1.26 -4.88 113.62 104.93 1pj3 n SER 3560Ca -0.13 -0.17 -0.39 0.00 -0.26 0.00 0.00 58.87 57.92 1pj3 n SER 3560Cb 0.53 0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1pj3 n SER 3560CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pj3 s GLU 3561N -2.88 3.83 0.58 4.33 8.01 -1.26 -4.73 118.70 126.58 1pj3 s GLU 3561Ca 0.15 2.08 -0.20 0.00 0.01 0.00 0.00 54.97 57.01 1pj3 s GLU 3561Cb 0.18 -2.62 -0.04 0.00 -4.31 0.00 0.00 34.13 27.34 1pj3 s GLU 3561CO 0.61 -0.58 1.26 0.71 0.01 0.00 0.00 175.26 177.27 1pj3 s TYR 3562N -1.33 2.34 0.20 1.61 4.12 -1.26 -5.04 117.35 118.00 1pj3 s TYR 3562Ca 0.60 1.48 0.06 0.00 0.02 0.00 0.00 57.07 59.23 1pj3 s TYR 3562Cb -0.36 -3.60 -0.04 0.00 -1.52 0.00 0.00 41.96 36.44 1pj3 s TYR 3562CO 0.45 -2.47 0.15 -0.51 0.02 0.00 0.00 175.55 173.19 1pj3 s ASP 3563N -1.37 5.47 0.24 2.29 1.01 -1.26 -5.08 116.67 117.96 1pj3 s ASP 3563Ca 0.76 -0.20 -0.30 0.00 0.71 0.00 0.00 52.55 53.53 1pj3 s ASP 3563Cb -0.34 -1.40 -0.09 0.00 1.01 0.00 0.00 42.92 42.10 1pj3 s ASP 3563CO 0.38 0.03 1.08 -0.55 0.21 0.00 0.00 175.17 176.32 1pj3 s SER 3564N -3.40 7.31 0.00 0.27 0.15 -1.26 -4.91 113.70 111.86 1pj3 s SER 3564Ca 0.32 2.17 0.14 0.00 0.70 0.00 0.00 55.95 59.27 1pj3 s SER 3564Cb -0.09 -2.62 0.33 0.00 -1.71 0.00 0.00 66.02 61.93 1pj3 s SER 3564CO 0.24 -0.14 1.24 0.18 1.20 0.00 0.00 173.24 175.95 1pj3 n LEU 3565N 1.69 2.95 -4.77 3.45 4.77 -1.26 -5.01 117.00 118.82 1pj3 n LEU 3565Ca 0.00 -1.77 -0.41 0.00 -0.03 0.00 0.00 56.01 53.81 1pj3 n LEU 3565Cb 0.46 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1pj3 n LEU 3565CO 0.53 0.70 0.99 -0.76 -1.33 0.00 0.00 177.39 177.53 1pj3 s LEU 3566N -1.04 4.42 0.53 2.23 1.43 -1.26 -4.99 118.68 120.00 1pj3 s LEU 3566Ca 0.27 2.71 -0.19 0.00 -1.03 0.00 0.00 54.13 55.89 1pj3 s LEU 3566Cb 0.15 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1pj3 s LEU 3566CO 0.20 -0.56 1.06 -2.16 0.23 0.00 0.00 176.35 175.12 1pj3 s PRO 3567N -1.81 3.55 -0.70 1.29 0.04 -1.26 -4.91 135.00 131.20 1pj3 s PRO 3567Ca 0.49 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 1pj3 s PRO 3567Cb -0.40 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1pj3 s PRO 3567CO 0.54 -0.64 1.88 0.34 0.04 0.00 0.00 177.00 179.15 1pj3 s ASP 3568N -2.20 5.25 -0.19 6.66 -1.08 -1.26 -4.97 116.67 118.89 1pj3 s ASP 3568Ca 0.67 0.03 -0.07 0.00 -0.52 0.00 0.00 52.55 52.66 1pj3 s ASP 3568Cb -0.18 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.71 1pj3 s ASP 3568CO 0.27 -2.47 0.06 -0.69 0.52 0.00 0.00 175.17 172.86 1pj3 s VAL 3569N 9.30 4.71 0.05 1.11 1.01 -1.26 -5.09 120.40 130.23 1pj3 s VAL 3569Ca 0.67 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.35 1pj3 s VAL 3569Cb -0.11 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.20 1pj3 s VAL 3569CO 0.14 0.44 0.57 -0.72 0.00 0.00 0.00 175.10 175.53 1pj3 s TYR 3570N 0.55 -0.49 0.23 5.22 -0.85 -1.26 -5.16 117.35 115.60 1pj3 s TYR 3570Ca 0.03 0.56 -0.30 0.00 -0.52 0.00 0.00 57.07 56.85 1pj3 s TYR 3570Cb -0.13 0.40 -0.09 0.00 0.38 0.00 0.00 41.96 42.52 1pj3 s TYR 3570CO 0.01 -0.68 0.97 -2.00 -1.52 0.00 0.00 175.55 172.33 1pj3 s GLU 3571N -2.47 4.81 -0.13 -3.49 2.56 -1.26 -5.05 118.70 113.66 1pj3 s GLU 3571Ca -0.05 1.54 -0.17 0.00 0.00 0.00 0.00 54.97 56.29 1pj3 s GLU 3571Cb -0.01 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.81 1pj3 s GLU 3571CO -0.02 0.44 0.43 -1.58 -0.56 0.00 0.00 175.26 173.97 1pj3 s TRP 3572N -1.04 3.49 -2.00 5.30 0.52 -1.26 -5.35 118.94 118.60 1pj3 s TRP 3572Ca 0.42 0.80 0.00 0.00 0.02 0.00 0.00 56.10 57.35 1pj3 s TRP 3572Cb -0.27 -2.50 0.02 0.00 -1.15 0.00 0.00 33.47 29.58 1pj3 s TRP 3572CO 0.33 0.18 0.52 -0.35 0.02 0.00 0.00 176.95 177.65