#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx1 n PRO 3023N 0.00 0.18 -2.45 4.33 -0.02 -1.26 -4.91 135.00 130.87 1mx1 n PRO 3023Ca 0.00 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 1mx1 n PRO 3023Cb 0.00 -1.16 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 1mx1 n PRO 3023CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1mx1 s PRO 3024N -1.19 4.42 -0.15 0.52 0.02 -1.26 -4.92 135.00 132.44 1mx1 s PRO 3024Ca 0.61 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1mx1 s PRO 3024Cb -0.65 -3.41 0.02 0.00 0.02 0.00 0.00 34.50 30.47 1mx1 s PRO 3024CO 0.61 -0.30 -0.15 0.08 -0.33 0.00 0.00 177.00 176.91 1mx1 s VAL 3025N 1.38 1.63 0.04 3.83 1.01 -1.26 -0.65 120.40 126.38 1mx1 s VAL 3025Ca 0.58 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1mx1 s VAL 3025Cb -0.28 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1mx1 s VAL 3025CO 0.27 0.47 -0.18 -0.69 0.00 0.00 0.00 175.10 174.98 1mx1 s VAL 3026N 1.45 2.83 -0.28 2.92 1.01 -0.26 -4.96 120.40 123.12 1mx1 s VAL 3026Ca 0.05 -1.17 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 1mx1 s VAL 3026Cb -0.13 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1mx1 s VAL 3026CO -0.11 0.34 0.32 -0.62 0.00 0.00 0.00 175.10 175.02 1mx1 s ASP 3027N -1.44 6.17 0.33 3.32 -1.08 -1.26 -1.08 116.67 121.63 1mx1 s ASP 3027Ca 0.15 0.15 0.09 0.00 -0.52 0.00 0.00 52.55 52.42 1mx1 s ASP 3027Cb -0.11 -2.18 -0.05 0.00 -1.46 0.00 0.00 42.92 39.12 1mx1 s ASP 3027CO 0.05 -0.16 0.05 0.42 0.52 0.00 0.00 175.17 176.06 1mx1 s THR 3028N 1.97 2.82 0.22 1.71 -4.23 -0.23 -4.85 115.64 113.05 1mx1 s THR 3028Ca 0.12 -1.87 -0.13 0.00 -1.18 0.00 0.00 61.69 58.63 1mx1 s THR 3028Cb -0.16 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 71.10 1mx1 s THR 3028CO 0.10 -0.21 1.61 0.58 -0.54 0.00 0.00 174.62 176.17 1mx1 h VAL 3029N 1.73 0.28 -0.00 2.29 2.07 -1.94 -0.25 116.25 120.42 1mx1 h VAL 3029Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1mx1 h VAL 3029Cb 1.25 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1mx1 h VAL 3029CO 0.65 0.00 -0.04 1.41 0.02 0.00 0.00 177.57 179.61 1mx1 n HIS 3030N -5.47 0.00 -0.01 1.57 8.25 -1.26 -5.01 115.22 113.29 1mx1 n HIS 3030Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1mx1 n HIS 3030Cb 0.36 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1mx1 n HIS 3030CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mx1 n GLY 3031N 1.25 0.15 3.78 -1.41 0.00 -0.10 -1.59 105.19 107.27 1mx1 n GLY 3031Ca 0.15 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1mx1 n GLY 3031CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx1 s LYS 3032N -1.23 4.56 -0.02 1.61 1.02 -1.24 -1.07 119.74 123.38 1mx1 s LYS 3032Ca 0.00 1.16 0.04 0.00 0.02 0.00 0.00 55.97 57.20 1mx1 s LYS 3032Cb 0.00 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1mx1 s LYS 3032CO 0.00 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 174.97 1mx1 s VAL 3033N -1.20 1.15 -0.21 3.17 -7.23 -0.25 -0.37 120.40 115.46 1mx1 s VAL 3033Ca 0.37 -0.60 -0.07 0.00 -1.81 0.00 0.00 61.98 59.87 1mx1 s VAL 3033Cb -0.23 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 1mx1 s VAL 3033CO 0.26 0.33 0.06 -0.22 -0.31 0.00 0.00 175.10 175.23 1mx1 s LEU 3034N -0.14 3.62 0.00 1.32 1.98 0.36 -1.10 118.68 124.72 1mx1 s LEU 3034Ca 0.02 -0.06 0.00 0.00 -2.89 0.00 0.00 54.13 51.19 1mx1 s LEU 3034Cb -0.08 -1.94 0.00 0.00 0.66 0.00 0.00 46.19 44.83 1mx1 s LEU 3034CO 0.00 0.07 0.00 0.61 -1.89 0.00 0.00 176.35 175.15 1mx1 n GLY 3035N 4.21 4.70 3.20 7.98 0.00 0.18 -0.95 105.19 124.52 1mx1 n GLY 3035Ca -0.16 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 1mx1 n GLY 3035CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx1 s LYS 3036N 2.29 0.68 -0.02 1.61 -2.85 -0.58 -4.15 119.74 116.73 1mx1 s LYS 3036Ca 0.00 -0.43 -0.14 0.00 -1.00 0.00 0.00 55.97 54.40 1mx1 s LYS 3036Cb 0.00 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1mx1 s LYS 3036CO 0.00 -0.20 0.39 -0.06 0.10 0.00 0.00 175.35 175.59 1mx1 s PHE 3037N -2.00 3.70 -0.07 1.78 2.99 -1.26 -0.34 117.98 122.79 1mx1 s PHE 3037Ca -0.09 0.95 -0.01 0.00 0.00 0.00 0.00 56.93 57.78 1mx1 s PHE 3037Cb -0.03 -2.29 0.03 0.00 0.00 0.00 0.00 43.02 40.73 1mx1 s PHE 3037CO -0.00 0.61 0.01 0.08 -0.00 0.00 0.00 175.22 175.92 1mx1 s VAL 3038N -0.93 0.28 0.15 -0.44 1.01 -0.17 -4.95 120.40 115.35 1mx1 s VAL 3038Ca 0.23 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 1mx1 s VAL 3038Cb -0.16 -0.46 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1mx1 s VAL 3038CO 0.12 0.24 0.55 -0.44 0.00 0.00 0.00 175.10 175.58 1mx1 s SER 3039N 2.01 6.82 -0.14 3.32 0.01 -1.26 -1.11 113.70 123.36 1mx1 s SER 3039Ca 0.05 1.08 -0.01 0.00 1.31 0.00 0.00 55.95 58.38 1mx1 s SER 3039Cb -0.12 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1mx1 s SER 3039CO -0.05 0.09 -0.11 -0.22 0.41 0.00 0.00 173.24 173.36 1mx1 s LEU 3040N -1.99 2.81 -0.07 2.44 2.96 -1.26 -5.00 118.68 118.57 1mx1 s LEU 3040Ca 0.38 -0.30 -0.40 0.00 -0.22 0.00 0.00 54.13 53.60 1mx1 s LEU 3040Cb -0.15 -1.65 -0.19 0.00 0.50 0.00 0.00 46.19 44.71 1mx1 s LEU 3040CO 0.19 0.16 1.27 -0.62 -1.32 0.00 0.00 176.35 176.03 1mx1 n GLU 3041N 3.58 0.40 -0.86 1.98 -0.58 -1.26 -0.51 120.64 123.38 1mx1 n GLU 3041Ca -0.18 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1mx1 n GLU 3041Cb 0.53 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1mx1 n GLU 3041CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx1 n GLY 3042N 2.34 0.76 3.28 0.62 0.00 -1.26 -5.03 105.19 105.90 1mx1 n GLY 3042Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1mx1 n GLY 3042CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mx1 s PHE 3043N -2.91 2.87 0.03 1.61 0.40 0.33 -5.03 117.98 115.27 1mx1 s PHE 3043Ca 0.00 -1.03 -0.29 0.00 -0.60 0.00 0.00 56.93 55.01 1mx1 s PHE 3043Cb 0.00 -1.98 -0.17 0.00 0.51 0.00 0.00 43.02 41.38 1mx1 s PHE 3043CO 0.00 -0.52 1.29 0.00 0.70 0.00 0.00 175.22 176.70 1mx1 h ALA 3044N 7.67 -0.87 -2.39 5.36 0.00 -1.96 -3.42 119.26 123.65 1mx1 h ALA 3044Ca -0.38 -0.21 -0.54 0.00 0.00 0.00 0.00 54.91 53.78 1mx1 h ALA 3044Cb 1.17 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1mx1 h ALA 3044CO 0.60 -0.88 0.42 -1.14 0.00 0.00 0.00 179.25 178.24 1mx1 s GLN 3045N -5.10 4.53 0.63 0.00 2.00 -1.26 -5.04 119.66 115.41 1mx1 s GLN 3045Ca -0.15 1.45 -0.12 0.00 -2.00 0.00 0.00 55.36 54.53 1mx1 s GLN 3045Cb 0.02 -3.47 -0.02 0.00 0.80 0.00 0.00 33.01 30.34 1mx1 s GLN 3045CO 0.51 -0.11 1.04 -2.14 -0.50 0.00 0.00 175.29 174.09 1mx1 s PRO 3046N 1.19 3.33 -0.14 1.67 0.02 -1.26 -4.82 135.00 134.98 1mx1 s PRO 3046Ca 0.52 0.94 -0.13 0.00 0.02 0.00 0.00 61.00 62.35 1mx1 s PRO 3046Cb -0.21 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.22 1mx1 s PRO 3046CO 0.26 -0.79 0.28 0.08 -0.33 0.00 0.00 177.00 176.51 1mx1 s VAL 3047N -2.93 5.30 -0.13 3.83 1.01 -0.26 -4.82 120.40 122.40 1mx1 s VAL 3047Ca 0.58 0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 1mx1 s VAL 3047Cb -0.13 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1mx1 s VAL 3047CO 0.48 0.44 0.68 0.00 0.00 0.00 0.00 175.10 176.70 1mx1 s ALA 3048N 0.12 3.44 -0.11 5.51 0.00 -0.17 -1.00 121.76 129.56 1mx1 s ALA 3048Ca 0.17 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1mx1 s ALA 3048Cb -0.13 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1mx1 s ALA 3048CO 0.05 -0.33 -0.19 0.42 0.00 0.00 0.00 175.76 175.71 1mx1 s ILE 3049N 1.36 2.55 -0.18 0.00 1.01 0.54 -1.75 121.20 124.73 1mx1 s ILE 3049Ca 0.34 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1mx1 s ILE 3049Cb -0.17 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.31 1mx1 s ILE 3049CO 0.14 0.54 -0.12 -0.36 0.00 0.00 0.00 174.94 175.14 1mx1 s PHE 3050N 0.33 2.36 -0.11 3.97 0.40 -0.23 -1.53 117.98 123.17 1mx1 s PHE 3050Ca -0.15 -1.46 -0.02 0.00 -0.60 0.00 0.00 56.93 54.70 1mx1 s PHE 3050Cb -0.17 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1mx1 s PHE 3050CO 0.07 -0.72 -0.05 -0.51 0.70 0.00 0.00 175.22 174.72 1mx1 s LEU 3051N 1.42 3.26 -0.65 -0.37 1.43 -0.16 -0.17 118.68 123.44 1mx1 s LEU 3051Ca 0.01 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1mx1 s LEU 3051Cb -0.15 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 1mx1 s LEU 3051CO -0.09 0.27 0.54 0.61 0.23 0.00 0.00 176.35 177.91 1mx1 n GLY 3052N 2.84 0.00 3.69 -3.19 0.00 -1.20 -3.89 105.19 103.44 1mx1 n GLY 3052Ca -0.18 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1mx1 n GLY 3052CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx1 s ILE 3053N -3.20 5.13 0.10 -0.61 1.01 -0.71 -4.84 121.20 118.09 1mx1 s ILE 3053Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.38 1mx1 s ILE 3053Cb -0.00 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.55 1mx1 s ILE 3053CO 0.40 0.24 1.07 -2.16 0.00 0.00 0.00 174.94 174.49 1mx1 s PRO 3054N 1.12 4.57 0.00 2.79 0.04 -1.26 -1.59 135.00 140.68 1mx1 s PRO 3054Ca 0.27 1.62 0.07 0.00 0.04 0.00 0.00 61.00 62.99 1mx1 s PRO 3054Cb -0.16 -3.35 0.14 0.00 0.04 0.00 0.00 34.50 31.18 1mx1 s PRO 3054CO 0.11 0.00 1.01 1.97 0.04 0.00 0.00 177.00 180.13 1mx1 n PHE 3055N 3.10 0.19 -3.66 0.56 1.16 -1.15 -4.90 117.46 112.75 1mx1 n PHE 3055Ca 0.05 -0.34 -0.07 0.00 -1.87 0.00 0.00 57.45 55.22 1mx1 n PHE 3055Cb 0.48 -0.02 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 1mx1 n PHE 3055CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mx1 s ALA 3056N -0.86 -1.61 0.17 1.98 0.00 -1.26 -4.39 121.76 115.79 1mx1 s ALA 3056Ca 0.12 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1mx1 s ALA 3056Cb 0.07 0.66 -0.07 0.00 0.00 0.00 0.00 23.12 23.78 1mx1 s ALA 3056CO 0.09 -0.91 1.05 0.21 0.00 0.00 0.00 175.76 176.20 1mx1 s LYS 3057N -3.43 4.65 -0.05 0.00 2.20 0.79 -4.43 119.74 119.46 1mx1 s LYS 3057Ca 0.08 1.63 -0.37 0.00 -0.36 0.00 0.00 55.97 56.95 1mx1 s LYS 3057Cb -0.02 -3.30 -0.16 0.00 -1.51 0.00 0.00 37.83 32.84 1mx1 s LYS 3057CO -0.02 0.16 1.55 -2.30 -0.36 0.00 0.00 175.35 174.38 1mx1 n PRO 3058N 2.38 1.33 -1.07 4.03 -0.02 -1.26 -4.59 135.00 135.80 1mx1 n PRO 3058Ca 0.02 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.67 1mx1 n PRO 3058Cb 0.47 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1mx1 n PRO 3058CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mx1 n PRO 3059N 3.97 2.92 -3.90 0.52 -0.04 -1.26 -4.91 135.00 132.29 1mx1 n PRO 3059Ca 0.21 -1.88 -0.21 0.00 -0.04 0.00 0.00 63.50 61.58 1mx1 n PRO 3059Cb 0.19 -2.67 -0.03 0.00 -0.04 0.00 0.00 33.50 30.95 1mx1 n PRO 3059CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx1 s LEU 3060N 0.23 3.90 0.00 1.53 1.43 -1.26 -3.80 118.68 120.72 1mx1 s LEU 3060Ca 0.56 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1mx1 s LEU 3060Cb 0.14 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1mx1 s LEU 3060CO -0.04 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1mx1 n GLY 3061N -1.35 3.45 0.00 -3.19 0.00 -1.26 -0.80 105.19 102.03 1mx1 n GLY 3061Ca -0.05 0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.26 1mx1 n GLY 3061CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mx1 n PRO 3062N 13.73 0.00 0.00 1.61 -0.04 -1.26 -2.40 135.00 146.65 1mx1 n PRO 3062Ca 0.00 0.30 0.14 0.00 -0.04 0.00 0.00 63.50 63.90 1mx1 n PRO 3062Cb 0.00 -1.51 0.58 0.00 -0.04 0.00 0.00 33.50 32.53 1mx1 n PRO 3062CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mx1 n LEU 3063N -1.52 0.60 -4.76 1.53 4.77 0.01 -4.79 117.00 112.84 1mx1 n LEU 3063Ca 0.03 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 1mx1 n LEU 3063Cb 0.14 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1mx1 n LEU 3063CO 0.11 0.11 0.93 -0.60 -1.33 0.00 0.00 177.39 176.61 1mx1 s ARG 3064N -2.45 4.44 -1.55 3.23 3.52 -1.01 -2.68 118.95 122.46 1mx1 s ARG 3064Ca 0.29 2.09 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 1mx1 s ARG 3064Cb 0.20 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 1mx1 s ARG 3064CO 0.47 -0.08 0.00 1.19 -0.81 0.00 0.00 175.30 176.07 1mx1 n PHE 3065N 1.03 -0.83 -4.21 5.12 3.72 -1.26 -5.01 117.46 116.01 1mx1 n PHE 3065Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1mx1 n PHE 3065Cb 0.43 -3.55 -0.10 0.00 -0.94 0.00 0.00 39.48 35.31 1mx1 n PHE 3065CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1mx1 s THR 3066N -2.89 0.81 0.68 4.37 -4.23 -1.09 -4.87 115.64 108.41 1mx1 s THR 3066Ca 0.00 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.36 1mx1 s THR 3066Cb 0.00 -1.85 0.01 0.00 1.34 0.00 0.00 72.50 72.00 1mx1 s THR 3066CO 0.00 -0.73 1.26 -2.16 -0.54 0.00 0.00 174.62 172.45 1mx1 s PRO 3067N -3.84 2.39 0.51 3.99 0.04 -1.26 -4.95 135.00 131.88 1mx1 s PRO 3067Ca 0.16 1.94 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 1mx1 s PRO 3067Cb 0.05 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 1mx1 s PRO 3067CO -0.01 -1.69 1.21 -1.25 0.04 0.00 0.00 177.00 175.30 1mx1 s PRO 3068N -3.58 3.46 0.17 0.56 0.04 -1.26 -5.04 135.00 129.35 1mx1 s PRO 3068Ca 0.79 1.87 0.09 0.00 0.04 0.00 0.00 61.00 63.79 1mx1 s PRO 3068Cb -0.34 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1mx1 s PRO 3068CO 0.42 -0.83 -0.10 -0.65 0.04 0.00 0.00 177.00 175.88 1mx1 s GLN 3069N -2.90 2.05 0.46 4.56 -0.21 -1.26 -5.00 119.66 117.36 1mx1 s GLN 3069Ca 0.68 -1.25 -0.24 0.00 0.02 0.00 0.00 55.36 54.57 1mx1 s GLN 3069Cb -0.31 -2.17 -0.08 0.00 1.00 0.00 0.00 33.01 31.45 1mx1 s GLN 3069CO 0.37 0.44 1.30 -0.35 -2.12 0.00 0.00 175.29 174.92 1mx1 n PRO 3070N 0.10 1.89 -2.27 2.91 -0.04 -1.26 -0.15 135.00 136.18 1mx1 n PRO 3070Ca -0.11 0.68 -0.35 0.00 -0.04 0.00 0.00 63.50 63.67 1mx1 n PRO 3070Cb 0.55 -2.45 -0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1mx1 n PRO 3070CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mx1 s ALA 3071N -1.23 2.76 0.34 0.55 0.00 -1.26 -3.87 121.76 119.05 1mx1 s ALA 3071Ca 0.64 0.84 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 1mx1 s ALA 3071Cb -0.48 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.18 1mx1 s ALA 3071CO 0.56 -0.73 0.96 -1.21 0.00 0.00 0.00 175.76 175.34 1mx1 s GLU 3072N -3.15 4.52 0.59 0.00 8.01 -1.26 -4.91 118.70 122.50 1mx1 s GLU 3072Ca 0.71 1.36 -0.17 0.00 0.01 0.00 0.00 54.97 56.88 1mx1 s GLU 3072Cb -0.25 -2.75 -0.04 0.00 -4.31 0.00 0.00 34.13 26.78 1mx1 s GLU 3072CO 0.28 0.21 1.08 -1.25 0.01 0.00 0.00 175.26 175.59 1mx1 s PRO 3073N -2.14 3.26 0.21 0.39 0.04 -1.26 -5.02 135.00 130.49 1mx1 s PRO 3073Ca 0.51 1.31 0.11 0.00 0.04 0.00 0.00 61.00 62.98 1mx1 s PRO 3073Cb -0.19 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1mx1 s PRO 3073CO 0.24 -0.87 -0.20 1.67 0.04 0.00 0.00 177.00 177.88 1mx1 s TRP 3074N -2.29 2.37 0.03 0.56 -2.14 -0.62 -5.05 118.94 111.79 1mx1 s TRP 3074Ca 0.66 -0.33 -0.14 0.00 2.66 0.00 0.00 56.10 58.95 1mx1 s TRP 3074Cb -0.18 -1.13 -0.34 0.00 -3.10 0.00 0.00 33.47 28.71 1mx1 s TRP 3074CO 0.35 0.55 0.98 0.77 -2.66 0.00 0.00 176.95 176.94 1mx1 h SER 3075N 2.91 0.77 0.00 -2.66 0.02 -1.97 -3.42 113.55 109.20 1mx1 h SER 3075Ca -0.45 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 59.64 1mx1 h SER 3075Cb 1.22 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1mx1 h SER 3075CO 0.52 1.68 0.00 0.49 -1.14 0.00 0.00 176.83 178.37 1mx1 n PHE 3076N -3.68 0.00 -3.79 3.45 3.01 -1.26 -4.94 117.46 110.25 1mx1 n PHE 3076Ca -0.17 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.93 1mx1 n PHE 3076Cb 1.09 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 40.45 1mx1 n PHE 3076CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1mx1 s VAL 3077N 4.05 4.50 -0.15 -4.37 1.01 -1.26 -3.63 120.40 120.54 1mx1 s VAL 3077Ca 0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 1mx1 s VAL 3077Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1mx1 s VAL 3077CO 0.00 0.35 0.73 -0.75 0.00 0.00 0.00 175.10 175.43 1mx1 s LYS 3078N 1.41 4.30 -0.39 2.72 2.20 0.50 -4.88 119.74 125.60 1mx1 s LYS 3078Ca 0.06 0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 56.22 1mx1 s LYS 3078Cb -0.15 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1mx1 s LYS 3078CO 0.04 -0.20 1.34 1.21 -0.36 0.00 0.00 175.35 177.39 1mx1 s ASN 3079N 1.08 6.46 -0.73 1.43 3.84 -1.26 -0.49 114.94 125.28 1mx1 s ASN 3079Ca 0.35 0.87 0.03 0.00 0.21 0.00 0.00 52.86 54.32 1mx1 s ASN 3079Cb -0.17 -2.54 0.31 0.00 -0.55 0.00 0.00 41.25 38.30 1mx1 s ASN 3079CO 0.13 -1.32 1.11 0.00 -2.79 0.00 0.00 177.10 174.23 1mx1 n ALA 3080N 8.39 4.82 -0.25 1.71 0.00 -0.12 -4.74 120.51 130.32 1mx1 n ALA 3080Ca 0.15 -4.72 0.00 0.00 0.00 0.00 0.00 53.44 48.87 1mx1 n ALA 3080Cb 0.48 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1mx1 n ALA 3080CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mx1 n THR 3081N 0.24 0.63 -4.70 0.00 -2.24 -1.25 -0.99 114.28 105.97 1mx1 n THR 3081Ca 0.33 -0.69 -0.26 0.00 -2.27 0.00 0.00 64.05 61.17 1mx1 n THR 3081Cb 0.37 0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 69.18 1mx1 n THR 3081CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mx1 s SER 3082N -0.63 2.42 0.30 3.42 1.04 -1.26 -4.92 113.70 114.08 1mx1 s SER 3082Ca 0.00 -0.49 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 1mx1 s SER 3082Cb 0.00 -0.21 -0.11 0.00 0.10 0.00 0.00 66.02 65.80 1mx1 s SER 3082CO 0.00 0.17 1.49 -0.31 0.98 0.00 0.00 173.24 175.57 1mx1 s TYR 3083N -0.74 2.83 0.68 5.02 2.02 -1.26 -4.22 117.35 121.68 1mx1 s TYR 3083Ca 0.07 1.01 -0.11 0.00 -0.37 0.00 0.00 57.07 57.67 1mx1 s TYR 3083Cb -0.09 -3.94 -0.00 0.00 -0.40 0.00 0.00 41.96 37.53 1mx1 s TYR 3083CO 0.01 -2.99 1.07 -1.25 -1.57 0.00 0.00 175.55 170.83 1mx1 s PRO 3084N -0.97 3.08 0.87 -1.71 0.04 -1.26 -4.97 135.00 130.08 1mx1 s PRO 3084Ca 0.58 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 1mx1 s PRO 3084Cb -0.45 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.17 1mx1 s PRO 3084CO 0.51 -0.91 1.10 -1.25 0.04 0.00 0.00 177.00 176.48 1mx1 s PRO 3085N -5.25 1.47 0.07 0.56 0.04 -1.26 -4.75 135.00 125.88 1mx1 s PRO 3085Ca 0.57 0.70 0.01 0.00 0.04 0.00 0.00 61.00 62.33 1mx1 s PRO 3085Cb -0.11 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1mx1 s PRO 3085CO 0.53 -2.06 0.18 0.00 0.04 0.00 0.00 177.00 175.69 1mx1 s MET 3086N -5.03 3.30 0.42 4.56 0.23 0.37 -4.77 119.30 118.37 1mx1 s MET 3086Ca 0.63 -0.52 -0.26 0.00 -1.03 0.00 0.00 55.69 54.51 1mx1 s MET 3086Cb -0.17 -2.95 -0.10 0.00 -1.53 0.00 0.00 34.83 30.08 1mx1 s MET 3086CO 0.56 0.59 1.30 0.00 -2.03 0.00 0.00 175.02 175.44 1mx1 n THR 3088N -0.15 1.28 -3.64 0.00 -1.04 -1.02 -4.70 114.28 105.01 1mx1 n THR 3088Ca 0.06 -0.32 -0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1mx1 n THR 3088Cb 0.40 -0.25 -0.01 0.00 -1.82 0.00 0.00 70.33 68.65 1mx1 n THR 3088CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mx1 s GLN 3089N -0.68 0.57 -0.24 -2.82 -2.07 -1.26 -4.72 119.66 108.44 1mx1 s GLN 3089Ca 0.72 -0.30 -0.32 0.00 -1.82 0.00 0.00 55.36 53.64 1mx1 s GLN 3089Cb -0.98 0.20 -0.09 0.00 -1.09 0.00 0.00 33.01 31.05 1mx1 s GLN 3089CO 0.56 -0.26 2.15 -3.47 -1.32 0.00 0.00 175.29 172.95 1mx1 n ASP 3090N -0.44 2.86 -0.15 12.60 -0.08 -1.26 -4.83 116.55 125.26 1mx1 n ASP 3090Ca -0.07 0.43 0.01 0.00 -1.51 0.00 0.00 54.79 53.64 1mx1 n ASP 3090Cb 0.62 -1.41 0.28 0.00 2.34 0.00 0.00 41.12 42.95 1mx1 n ASP 3090CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1mx1 h PRO 3091N 12.93 0.85 -0.29 -0.67 0.13 -1.98 -0.09 132.00 142.88 1mx1 h PRO 3091Ca -0.37 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1mx1 h PRO 3091Cb 1.28 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1mx1 h PRO 3091CO 0.98 0.60 -0.08 0.87 -0.23 0.00 0.00 178.00 180.14 1mx1 h LYS 3092N 0.86 0.56 -0.30 0.86 1.57 -2.00 -2.43 116.57 115.70 1mx1 h LYS 3092Ca 0.22 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1mx1 h LYS 3092Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1mx1 h LYS 3092CO -0.04 0.77 -0.13 0.00 -0.57 0.00 0.00 179.45 179.49 1mx1 h ALA 3093N 0.77 0.42 -0.79 3.86 0.00 -1.89 -2.55 119.26 119.08 1mx1 h ALA 3093Ca 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1mx1 h ALA 3093Cb 0.57 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1mx1 h ALA 3093CO 0.03 0.30 0.35 0.78 0.00 0.00 0.00 179.25 180.71 1mx1 h GLY 3094N 0.37 1.25 1.03 0.00 0.00 -1.04 -1.53 103.07 103.16 1mx1 h GLY 3094Ca 0.07 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1mx1 h GLY 3094CO 0.04 0.62 -0.22 -1.61 0.00 0.00 0.00 176.54 175.37 1mx1 h GLN 3095N 1.14 0.84 -0.01 4.80 4.15 -1.46 -0.88 115.11 123.69 1mx1 h GLN 3095Ca 0.27 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1mx1 h GLN 3095Cb 0.17 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1mx1 h GLN 3095CO -0.03 1.02 0.01 1.25 -1.93 0.00 0.00 178.83 179.15 1mx1 h LEU 3096N 0.65 0.01 -0.57 -2.39 5.85 -1.27 -1.15 115.31 116.43 1mx1 h LEU 3096Ca 0.08 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1mx1 h LEU 3096Cb 0.78 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1mx1 h LEU 3096CO 0.06 0.03 0.36 0.25 -0.34 0.00 0.00 178.44 178.80 1mx1 h LEU 3097N -0.00 0.61 -0.78 2.25 5.85 -1.22 -1.19 115.31 120.82 1mx1 h LEU 3097Ca 0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1mx1 h LEU 3097Cb 0.01 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1mx1 h LEU 3097CO -0.00 0.43 0.51 -1.28 -0.34 0.00 0.00 178.44 177.76 1mx1 h SER 3098N 0.73 0.87 -0.15 1.25 0.87 -0.91 -1.04 113.55 115.18 1mx1 h SER 3098Ca 0.22 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1mx1 h SER 3098Cb -0.03 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1mx1 h SER 3098CO -0.08 0.62 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.47 1mx1 h GLU 3099N 1.03 0.43 0.00 2.24 5.08 -0.59 0.18 114.58 122.94 1mx1 h GLU 3099Ca 0.30 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.39 1mx1 h GLU 3099Cb -0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1mx1 h GLU 3099CO -0.08 0.49 -0.84 -0.07 -1.00 0.00 0.00 179.01 177.51 1mx1 h LEU 3100N 0.41 0.00 0.00 1.33 3.38 -0.58 -3.37 115.31 116.48 1mx1 h LEU 3100Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1mx1 h LEU 3100Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1mx1 h LEU 3100CO 0.01 0.84 -1.88 0.49 0.09 0.00 0.00 178.44 177.99 1mx1 n PHE 3101N -3.38 0.00 -1.69 1.13 3.72 -0.45 -4.96 117.46 111.83 1mx1 n PHE 3101Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1mx1 n PHE 3101Cb 0.85 -0.47 0.05 0.00 -0.94 0.00 0.00 39.48 38.96 1mx1 n PHE 3101CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1mx1 n THR 3102N -2.20 3.77 0.37 4.37 5.66 0.61 -4.87 114.28 121.99 1mx1 n THR 3102Ca -0.06 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.53 1mx1 n THR 3102Cb 0.55 -1.42 0.15 0.00 -1.55 0.00 0.00 70.33 68.05 1mx1 n THR 3102CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1mx1 n ASN 3103N -0.86 2.99 -4.90 1.09 6.94 -1.24 -4.99 115.26 114.30 1mx1 n ASN 3103Ca 0.12 -1.88 -0.29 0.00 -0.02 0.00 0.00 54.58 52.52 1mx1 n ASN 3103Cb 0.45 -0.16 0.05 0.00 -2.36 0.00 0.00 39.78 37.77 1mx1 n ASN 3103CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1mx1 s ARG 3104N -1.37 2.67 0.17 -3.83 0.52 -1.26 -4.11 118.95 111.74 1mx1 s ARG 3104Ca 0.29 0.20 -0.10 0.00 -0.52 0.00 0.00 55.73 55.61 1mx1 s ARG 3104Cb 0.18 -2.10 0.06 0.00 0.52 0.00 0.00 34.95 33.61 1mx1 s ARG 3104CO 0.25 -1.05 1.64 -0.22 0.02 0.00 0.00 175.30 175.94 1mx1 h LYS 3105N -0.58 1.03 -4.88 3.54 3.64 -1.95 -3.44 116.57 113.94 1mx1 h LYS 3105Ca -0.45 -0.32 -0.48 0.00 -1.27 0.00 0.00 60.65 58.13 1mx1 h LYS 3105Cb 1.27 -0.10 -0.31 0.00 -0.41 0.00 0.00 32.23 32.69 1mx1 h LYS 3105CO 0.63 1.01 -0.81 -1.21 -2.27 0.00 0.00 179.45 176.80 1mx1 s GLU 3106N -5.05 1.24 0.15 1.90 2.02 -1.26 -4.98 118.70 112.72 1mx1 s GLU 3106Ca -0.12 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.15 1mx1 s GLU 3106Cb 0.13 -1.13 -0.07 0.00 0.10 0.00 0.00 34.13 33.16 1mx1 s GLU 3106CO 0.85 0.17 1.19 1.21 0.02 0.00 0.00 175.26 178.70 1mx1 s ASN 3107N 0.10 7.10 -0.13 -0.19 3.84 -1.26 -5.00 114.94 119.40 1mx1 s ASN 3107Ca -0.03 2.16 -0.23 0.00 0.21 0.00 0.00 52.86 54.97 1mx1 s ASN 3107Cb -0.09 -2.60 -0.03 0.00 -0.55 0.00 0.00 41.25 37.98 1mx1 s ASN 3107CO 0.01 -0.38 0.71 -0.63 -2.79 0.00 0.00 177.10 174.01 1mx1 s ILE 3108N 0.24 5.00 0.15 -5.21 1.01 -1.26 -5.03 121.20 116.09 1mx1 s ILE 3108Ca 0.54 1.40 -0.30 0.00 0.00 0.00 0.00 60.65 62.29 1mx1 s ILE 3108Cb -0.31 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 1mx1 s ILE 3108CO 0.34 0.15 1.30 -2.84 0.00 0.00 0.00 174.94 173.89 1mx1 s PRO 3109N 1.49 4.39 0.14 2.79 0.02 -1.26 -5.00 135.00 137.57 1mx1 s PRO 3109Ca 0.35 1.98 0.09 0.00 0.02 0.00 0.00 61.00 63.44 1mx1 s PRO 3109Cb -0.17 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 1mx1 s PRO 3109CO 0.14 -0.29 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.88 1mx1 s LEU 3110N 0.45 2.88 0.29 -5.54 1.43 -1.26 -5.11 118.68 111.81 1mx1 s LEU 3110Ca 0.59 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1mx1 s LEU 3110Cb -0.35 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1mx1 s LEU 3110CO 0.34 0.15 0.54 -0.54 0.23 0.00 0.00 176.35 177.06 1mx1 s LYS 3111N -2.43 3.60 -0.01 1.70 3.01 -1.26 -4.92 119.74 119.42 1mx1 s LYS 3111Ca 0.21 -0.08 -0.02 0.00 -1.01 0.00 0.00 55.97 55.07 1mx1 s LYS 3111Cb -0.10 -2.67 -0.04 0.00 -1.01 0.00 0.00 37.83 34.01 1mx1 s LYS 3111CO 0.13 0.22 0.15 -0.51 0.51 0.00 0.00 175.35 175.85 1mx1 s LEU 3112N -3.64 4.23 -0.19 3.17 1.43 -1.26 -0.48 118.68 121.93 1mx1 s LEU 3112Ca 0.43 0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 1mx1 s LEU 3112Cb -0.11 -2.48 0.14 0.00 0.03 0.00 0.00 46.19 43.77 1mx1 s LEU 3112CO 0.31 0.27 1.08 -0.55 0.23 0.00 0.00 176.35 177.69 1mx1 s SER 3113N -1.83 -0.30 0.49 2.29 0.15 -0.81 -4.88 113.70 108.81 1mx1 s SER 3113Ca 0.25 0.34 0.28 0.00 0.70 0.00 0.00 55.95 57.51 1mx1 s SER 3113Cb -0.12 0.26 0.82 0.00 -1.71 0.00 0.00 66.02 65.26 1mx1 s SER 3113CO 0.16 -0.27 1.78 -0.33 1.20 0.00 0.00 173.24 175.79 1mx1 h GLU 3114N 2.50 0.00 -5.18 5.44 5.08 -1.94 -2.71 114.58 117.76 1mx1 h GLU 3114Ca -0.16 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.50 1mx1 h GLU 3114Cb 1.17 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 1mx1 h GLU 3114CO 0.29 0.02 1.34 0.34 -1.00 0.00 0.00 179.01 180.00 1mx1 s ASP 3115N -5.99 6.82 0.00 1.42 2.15 -1.26 -4.43 116.67 115.38 1mx1 s ASP 3115Ca 0.04 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.61 1mx1 s ASP 3115Cb 0.07 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1mx1 s ASP 3115CO 0.61 -1.01 0.54 0.00 -0.17 0.00 0.00 175.17 175.15 1mx1 n LEU 3117N -0.12 5.04 -4.38 0.00 4.77 -1.26 -4.65 117.00 116.39 1mx1 n LEU 3117Ca 0.00 -3.84 -0.19 0.00 -0.03 0.00 0.00 56.01 51.95 1mx1 n LEU 3117Cb 0.36 -1.71 -0.10 0.00 -2.33 0.00 0.00 43.42 39.64 1mx1 n LEU 3117CO 0.00 0.07 -0.28 -0.31 -1.33 0.00 0.00 177.39 175.54 1mx1 s TYR 3118N 4.87 1.75 0.01 -1.77 1.51 -1.26 -2.96 117.35 119.49 1mx1 s TYR 3118Ca 0.55 -1.00 -0.07 0.00 -1.01 0.00 0.00 57.07 55.54 1mx1 s TYR 3118Cb 0.06 -1.08 -0.00 0.00 -0.11 0.00 0.00 41.96 40.83 1mx1 s TYR 3118CO 0.06 -0.09 0.12 -0.48 -1.11 0.00 0.00 175.55 174.06 1mx1 s LEU 3119N -3.39 1.61 -0.03 -1.29 0.05 -0.62 -2.22 118.68 112.79 1mx1 s LEU 3119Ca 0.35 -0.24 0.03 0.00 0.05 0.00 0.00 54.13 54.31 1mx1 s LEU 3119Cb 0.08 0.63 -0.03 0.00 -2.05 0.00 0.00 46.19 44.82 1mx1 s LEU 3119CO 0.13 -0.37 -0.09 0.20 -0.55 0.00 0.00 176.35 175.67 1mx1 s ASN 3120N -1.42 4.46 -0.02 1.48 0.01 0.22 -1.73 114.94 117.93 1mx1 s ASN 3120Ca -0.15 -0.13 0.07 0.00 -0.71 0.00 0.00 52.86 51.95 1mx1 s ASN 3120Cb -0.08 -1.04 -0.02 0.00 0.41 0.00 0.00 41.25 40.53 1mx1 s ASN 3120CO 0.01 0.32 -0.23 -0.63 -1.51 0.00 0.00 177.10 175.07 1mx1 s ILE 3121N -0.87 1.81 -0.27 0.60 1.01 0.76 -0.83 121.20 123.41 1mx1 s ILE 3121Ca 0.14 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1mx1 s ILE 3121Cb -0.11 -1.51 0.08 0.00 0.01 0.00 0.00 42.46 40.93 1mx1 s ILE 3121CO 0.04 0.51 0.06 -0.31 0.00 0.00 0.00 174.94 175.24 1mx1 s TYR 3122N -0.47 1.69 -0.14 3.97 1.51 0.57 -1.07 117.35 123.41 1mx1 s TYR 3122Ca 0.07 -1.54 0.02 0.00 -1.01 0.00 0.00 57.07 54.61 1mx1 s TYR 3122Cb -0.09 -1.54 -0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1mx1 s TYR 3122CO -0.00 -0.79 -0.18 -0.08 -1.11 0.00 0.00 175.55 173.38 1mx1 s THR 3123N 1.63 2.45 -1.44 -0.71 -1.32 -0.72 -0.79 115.64 114.74 1mx1 s THR 3123Ca 0.05 -0.86 0.27 0.00 -1.21 0.00 0.00 61.69 59.94 1mx1 s THR 3123Cb -0.17 -2.00 0.24 0.00 -1.51 0.00 0.00 72.50 69.05 1mx1 s THR 3123CO -0.17 0.53 1.63 -0.81 -2.21 0.00 0.00 174.62 173.59 1mx1 n PRO 3124N 3.87 0.48 -1.08 7.08 -0.04 -1.26 -1.00 135.00 143.05 1mx1 n PRO 3124Ca -0.19 -0.24 -0.32 0.00 -0.04 0.00 0.00 63.50 62.71 1mx1 n PRO 3124Cb 0.52 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 1mx1 n PRO 3124CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mx1 s ALA 3125N -2.68 1.90 -0.69 0.55 0.00 -1.26 -4.87 121.76 114.70 1mx1 s ALA 3125Ca 0.21 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 1mx1 s ALA 3125Cb 0.19 -3.40 0.10 0.00 0.00 0.00 0.00 23.12 20.01 1mx1 s ALA 3125CO 0.56 -2.20 0.90 0.34 0.00 0.00 0.00 175.76 175.36 1mx1 s ASP 3126N -2.72 6.29 0.66 0.00 2.15 -1.26 -4.82 116.67 116.96 1mx1 s ASP 3126Ca 0.67 -1.42 0.40 0.00 0.43 0.00 0.00 52.55 52.63 1mx1 s ASP 3126Cb -0.22 -2.37 2.18 0.00 -0.30 0.00 0.00 42.92 42.21 1mx1 s ASP 3126CO 0.53 -1.22 2.26 -0.07 -0.17 0.00 0.00 175.17 176.50 1mx1 h LEU 3127N 10.55 0.00 0.00 -1.34 3.38 -1.93 -1.29 115.31 124.68 1mx1 h LEU 3127Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1mx1 h LEU 3127Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1mx1 h LEU 3127CO 1.12 0.00 0.00 0.35 0.09 0.00 0.00 178.44 180.00 1mx1 n THR 3128N -3.14 0.42 -2.52 0.22 -2.24 -1.26 -4.77 114.28 100.98 1mx1 n THR 3128Ca -0.02 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1mx1 n THR 3128Cb 0.15 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1mx1 n THR 3128CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1mx1 n LYS 3129N -1.36 3.90 -4.09 -0.78 5.02 -0.49 -5.13 118.16 115.23 1mx1 n LYS 3129Ca 0.08 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.05 1mx1 n LYS 3129Cb 0.20 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.05 1mx1 n LYS 3129CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1mx1 s LYS 3130N 1.63 2.74 0.14 1.97 1.02 -1.26 -5.00 119.74 120.98 1mx1 s LYS 3130Ca 0.00 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.24 1mx1 s LYS 3130Cb 0.00 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1mx1 s LYS 3130CO 0.00 -0.25 -0.14 -0.80 -0.92 0.00 0.00 175.35 173.23 1mx1 s ASN 3131N 1.32 2.19 -0.39 2.83 -0.87 -1.26 -5.07 114.94 113.69 1mx1 s ASN 3131Ca 0.04 -0.87 0.11 0.00 -1.57 0.00 0.00 52.86 50.56 1mx1 s ASN 3131Cb -0.14 -0.09 0.33 0.00 -0.02 0.00 0.00 41.25 41.33 1mx1 s ASN 3131CO -0.12 -0.15 0.70 0.54 -2.57 0.00 0.00 177.10 175.51 1mx1 n ARG 3132N 0.28 1.10 -2.51 -0.60 5.12 -1.22 -4.20 116.66 114.64 1mx1 n ARG 3132Ca -0.13 -3.47 -0.32 0.00 -1.93 0.00 0.00 57.85 51.99 1mx1 n ARG 3132Cb 0.58 -1.65 -0.04 0.00 -1.16 0.00 0.00 32.46 30.18 1mx1 n ARG 3132CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1mx1 s LEU 3133N -2.24 3.71 0.62 0.55 1.43 -0.17 -4.48 118.68 118.10 1mx1 s LEU 3133Ca 0.40 1.62 -0.18 0.00 -1.03 0.00 0.00 54.13 54.94 1mx1 s LEU 3133Cb 0.30 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1mx1 s LEU 3133CO -0.09 -0.55 1.18 -2.16 0.23 0.00 0.00 176.35 174.97 1mx1 s PRO 3134N -3.80 2.85 -0.09 1.29 0.04 -1.26 -0.47 135.00 133.56 1mx1 s PRO 3134Ca 0.60 1.73 0.02 0.00 0.04 0.00 0.00 61.00 63.39 1mx1 s PRO 3134Cb -0.10 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1mx1 s PRO 3134CO 0.26 -1.27 -0.15 0.08 0.04 0.00 0.00 177.00 175.95 1mx1 s VAL 3135N -1.79 2.92 -0.20 -0.36 1.01 -0.67 -0.49 120.40 120.81 1mx1 s VAL 3135Ca 0.75 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1mx1 s VAL 3135Cb -0.28 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 33.96 1mx1 s VAL 3135CO 0.35 0.56 -0.16 -0.04 0.00 0.00 0.00 175.10 175.81 1mx1 s MET 3136N -0.11 2.60 -0.30 2.72 -1.94 0.37 -0.21 119.30 122.42 1mx1 s MET 3136Ca -0.02 -0.97 -0.11 0.00 -1.71 0.00 0.00 55.69 52.88 1mx1 s MET 3136Cb -0.14 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1mx1 s MET 3136CO 0.04 -0.35 0.19 0.08 -0.01 0.00 0.00 175.02 174.96 1mx1 s VAL 3137N 1.26 5.02 -0.14 -6.03 1.01 0.83 -0.75 120.40 121.61 1mx1 s VAL 3137Ca -0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 1mx1 s VAL 3137Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1mx1 s VAL 3137CO -0.10 0.13 0.41 0.86 0.00 0.00 0.00 175.10 176.40 1mx1 s TRP 3138N 1.70 3.49 -0.35 5.22 -0.11 1.00 -1.25 118.94 128.63 1mx1 s TRP 3138Ca 0.06 0.78 -0.01 0.00 1.22 0.00 0.00 56.10 58.15 1mx1 s TRP 3138Cb -0.17 -2.48 0.08 0.00 -1.50 0.00 0.00 33.47 29.40 1mx1 s TRP 3138CO 0.09 0.18 0.09 0.42 -4.62 0.00 0.00 176.95 173.11 1mx1 s ILE 3139N 0.62 3.00 0.91 5.86 1.01 -0.19 -2.43 121.20 129.99 1mx1 s ILE 3139Ca 0.23 -1.80 -0.10 0.00 0.00 0.00 0.00 60.65 58.97 1mx1 s ILE 3139Cb -0.14 -2.93 0.14 0.00 0.01 0.00 0.00 42.46 39.53 1mx1 s ILE 3139CO 0.08 -0.42 1.12 -1.38 0.00 0.00 0.00 174.94 174.34 1mx1 s HIS 3140N 1.15 1.80 0.23 3.97 -3.43 -1.26 -3.68 115.29 114.07 1mx1 s HIS 3140Ca 0.03 1.67 0.03 0.00 -0.80 0.00 0.00 55.06 55.99 1mx1 s HIS 3140Cb -0.21 -3.26 0.03 0.00 -1.43 0.00 0.00 32.58 27.72 1mx1 s HIS 3140CO -0.03 -2.71 0.27 0.41 -2.00 0.00 0.00 174.74 170.67 1mx1 n GLY 3141N -0.06 2.30 0.00 -1.38 0.00 -1.22 -3.25 105.19 101.58 1mx1 n GLY 3141Ca 0.10 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1mx1 n GLY 3141CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx1 n GLY 3142N 2.20 0.27 2.58 -0.02 0.00 -1.26 -4.38 105.19 104.58 1mx1 n GLY 3142Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1mx1 n GLY 3142CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx1 n GLY 3143N 0.00 1.47 2.55 -0.02 0.00 -1.26 -1.20 105.19 106.72 1mx1 n GLY 3143Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1mx1 n GLY 3143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mx1 n LEU 3144N -1.81 -0.29 -0.00 0.99 4.77 -1.26 -4.72 117.00 114.67 1mx1 n LEU 3144Ca -0.15 0.20 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1mx1 n LEU 3144Cb 0.60 -2.05 -0.01 0.00 -2.33 0.00 0.00 43.42 39.63 1mx1 n LEU 3144CO 0.23 -0.74 -0.52 0.23 -1.33 0.00 0.00 177.39 175.26 1mx1 n MET 3145N -1.52 3.31 -4.21 3.23 2.81 -0.34 -0.35 117.12 120.05 1mx1 n MET 3145Ca -0.08 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.64 1mx1 n MET 3145Cb 0.43 -1.02 -0.07 0.00 -0.71 0.00 0.00 33.22 31.84 1mx1 n MET 3145CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1mx1 s VAL 3146N -2.02 0.00 0.00 2.03 -7.23 -0.43 -4.35 120.40 108.39 1mx1 s VAL 3146Ca -0.00 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1mx1 s VAL 3146Cb 0.00 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1mx1 s VAL 3146CO 0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1mx1 n GLY 3147N -0.55 2.59 3.52 2.32 0.00 -1.26 -4.04 105.19 107.76 1mx1 n GLY 3147Ca 0.05 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 1mx1 n GLY 3147CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s ALA 3148N -2.00 -1.80 0.11 4.61 0.00 -1.26 -4.63 121.76 116.77 1mx1 s ALA 3148Ca 0.00 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 1mx1 s ALA 3148Cb 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 23.12 22.96 1mx1 s ALA 3148CO 0.00 -0.46 1.26 0.00 0.00 0.00 0.00 175.76 176.55 1mx1 h ALA 3149N 2.56 0.26 0.00 0.00 0.00 -1.92 -3.26 119.26 116.90 1mx1 h ALA 3149Ca -0.25 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1mx1 h ALA 3149Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1mx1 h ALA 3149CO 0.35 0.76 0.03 0.77 0.00 0.00 0.00 179.25 181.17 1mx1 h SER 3150N 0.30 0.00 0.28 0.00 0.02 -1.92 -1.37 113.55 110.86 1mx1 h SER 3150Ca -0.10 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1mx1 h SER 3150Cb 1.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.16 1mx1 h SER 3150CO 0.18 0.00 -0.19 0.74 -1.14 0.00 0.00 176.83 176.42 1mx1 h THR 3151N 0.00 0.95 -3.63 -2.27 2.02 -1.94 -3.41 112.91 104.62 1mx1 h THR 3151Ca 0.00 -0.70 -0.67 0.00 0.77 0.00 0.00 66.41 65.81 1mx1 h THR 3151Cb 0.06 1.40 -0.24 0.00 -1.74 0.00 0.00 68.15 67.63 1mx1 h THR 3151CO 0.00 0.19 -0.58 -0.31 0.37 0.00 0.00 175.52 175.18 1mx1 s TYR 3152N -4.40 3.16 -0.24 3.16 1.51 -0.52 -3.64 117.35 116.39 1mx1 s TYR 3152Ca -0.03 -0.73 -0.19 0.00 -1.01 0.00 0.00 57.07 55.11 1mx1 s TYR 3152Cb 0.15 -2.31 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1mx1 s TYR 3152CO 0.66 -0.50 0.55 0.34 -1.11 0.00 0.00 175.55 175.49 1mx1 s ASP 3153N 1.57 6.52 0.00 2.29 3.68 -1.26 -4.96 116.67 124.51 1mx1 s ASP 3153Ca 0.04 0.63 0.20 0.00 2.13 0.00 0.00 52.55 55.55 1mx1 s ASP 3153Cb -0.17 -2.30 0.59 0.00 -1.45 0.00 0.00 42.92 39.59 1mx1 s ASP 3153CO 0.05 -0.29 1.47 0.61 0.13 0.00 0.00 175.17 177.14 1mx1 n GLY 3154N 4.18 0.83 0.31 2.66 0.00 -1.26 -4.51 105.19 107.40 1mx1 n GLY 3154Ca -0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1mx1 n GLY 3154CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mx1 h LEU 3155N 2.93 -0.91 0.49 0.99 6.46 -1.92 -1.38 115.31 121.97 1mx1 h LEU 3155Ca 0.00 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1mx1 h LEU 3155Cb 0.65 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1mx1 h LEU 3155CO 0.00 -0.33 -0.25 0.00 -0.62 0.00 0.00 178.44 177.24 1mx1 h ALA 3156N 0.57 -0.68 -0.68 1.25 0.00 -1.83 -1.51 119.26 116.37 1mx1 h ALA 3156Ca 0.11 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1mx1 h ALA 3156Cb 0.51 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1mx1 h ALA 3156CO -0.37 -0.89 0.40 1.25 0.00 0.00 0.00 179.25 179.64 1mx1 h LEU 3157N -0.69 0.61 0.19 0.00 5.85 -1.76 0.03 115.31 119.55 1mx1 h LEU 3157Ca -0.06 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1mx1 h LEU 3157Cb 0.54 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1mx1 h LEU 3157CO 0.09 0.41 -0.09 0.00 -0.34 0.00 0.00 178.44 178.51 1mx1 h ALA 3158N 1.33 -0.26 -0.14 1.25 0.00 -1.16 -1.87 119.26 118.41 1mx1 h ALA 3158Ca 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1mx1 h ALA 3158Cb 0.12 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1mx1 h ALA 3158CO -0.15 -0.64 -0.03 0.00 0.00 0.00 0.00 179.25 178.43 1mx1 h ALA 3159N 0.54 0.19 -0.40 0.00 0.00 -1.04 0.13 119.26 118.69 1mx1 h ALA 3159Ca -0.03 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1mx1 h ALA 3159Cb 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1mx1 h ALA 3159CO 0.04 -0.07 -0.12 0.45 0.00 0.00 0.00 179.25 179.56 1mx1 h HIS 3160N -0.04 0.78 -0.03 0.00 -0.00 -1.02 -3.28 115.15 111.56 1mx1 h HIS 3160Ca 0.04 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1mx1 h HIS 3160Cb 0.45 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1mx1 h HIS 3160CO 0.05 0.80 0.00 0.39 -0.00 0.00 0.00 177.93 179.17 1mx1 n GLU 3161N -4.17 0.91 -3.54 2.45 -0.58 -0.70 -5.02 120.64 109.99 1mx1 n GLU 3161Ca 0.01 -1.32 -0.22 0.00 -0.42 0.00 0.00 57.16 55.21 1mx1 n GLU 3161Cb 0.36 -1.26 0.05 0.00 -0.57 0.00 0.00 31.44 30.03 1mx1 n GLU 3161CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mx1 n ASN 3162N 0.74 -4.22 -4.19 1.62 4.05 0.44 -5.02 115.26 108.69 1mx1 n ASN 3162Ca 0.08 -0.84 -0.14 0.00 0.45 0.00 0.00 54.58 54.13 1mx1 n ASN 3162Cb 0.34 -4.27 -0.11 0.00 1.23 0.00 0.00 39.78 36.97 1mx1 n ASN 3162CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1mx1 s VAL 3163N -3.50 0.96 -0.23 3.44 -7.23 -1.10 -4.54 120.40 108.19 1mx1 s VAL 3163Ca 0.29 -1.76 -0.19 0.00 -1.81 0.00 0.00 61.98 58.52 1mx1 s VAL 3163Cb -0.07 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 1mx1 s VAL 3163CO 0.80 -0.63 0.56 -0.69 -0.31 0.00 0.00 175.10 174.83 1mx1 s VAL 3164N -2.75 5.05 -0.16 1.32 1.01 0.35 -4.38 120.40 120.84 1mx1 s VAL 3164Ca 0.08 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.99 1mx1 s VAL 3164Cb -0.01 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1mx1 s VAL 3164CO -0.00 0.10 0.08 -0.69 0.00 0.00 0.00 175.10 174.58 1mx1 s VAL 3165N 2.12 4.95 -0.12 2.92 1.01 0.03 -0.48 120.40 130.84 1mx1 s VAL 3165Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1mx1 s VAL 3165Cb -0.16 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1mx1 s VAL 3165CO 0.09 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 1mx1 s VAL 3166N -0.01 1.21 -0.20 2.92 1.01 0.07 -0.32 120.40 125.09 1mx1 s VAL 3166Ca 0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1mx1 s VAL 3166Cb -0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1mx1 s VAL 3166CO 0.01 0.40 0.02 0.42 0.00 0.00 0.00 175.10 175.94 1mx1 s THR 3167N 1.51 4.19 0.28 3.92 -4.23 -0.01 -0.00 115.64 121.30 1mx1 s THR 3167Ca 0.03 -0.24 0.09 0.00 -1.18 0.00 0.00 61.69 60.39 1mx1 s THR 3167Cb -0.13 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1mx1 s THR 3167CO -0.07 0.43 0.02 0.27 -0.54 0.00 0.00 174.62 174.73 1mx1 s ILE 3168N 0.85 3.33 0.29 2.99 -4.36 -1.02 -0.61 121.20 122.67 1mx1 s ILE 3168Ca 0.02 -1.87 0.11 0.00 -0.26 0.00 0.00 60.65 58.64 1mx1 s ILE 3168Cb -0.14 -2.87 -0.05 0.00 1.25 0.00 0.00 42.46 40.64 1mx1 s ILE 3168CO 0.02 -0.33 -0.16 -1.10 0.24 0.00 0.00 174.94 173.61 1mx1 s GLN 3169N -3.71 1.69 0.01 0.37 -0.21 -0.94 -4.36 119.66 112.50 1mx1 s GLN 3169Ca 0.33 -1.80 -0.24 0.00 0.02 0.00 0.00 55.36 53.67 1mx1 s GLN 3169Cb -0.05 -1.67 0.05 0.00 1.00 0.00 0.00 33.01 32.34 1mx1 s GLN 3169CO 0.20 0.25 0.54 1.52 -2.12 0.00 0.00 175.29 175.68 1mx1 s TYR 3170N -2.60 -0.46 0.37 0.91 1.13 -1.26 -4.67 117.35 110.77 1mx1 s TYR 3170Ca 0.30 0.62 -0.27 0.00 -1.41 0.00 0.00 57.07 56.31 1mx1 s TYR 3170Cb -0.02 0.33 -0.12 0.00 -1.10 0.00 0.00 41.96 41.05 1mx1 s TYR 3170CO 0.15 -0.60 1.23 0.54 -2.51 0.00 0.00 175.55 174.35 1mx1 n ARG 3171N 0.65 1.91 -4.57 -3.49 1.74 -1.26 -4.84 116.66 106.80 1mx1 n ARG 3171Ca -0.19 0.67 -0.27 0.00 -0.77 0.00 0.00 57.85 57.30 1mx1 n ARG 3171Cb 0.59 -2.27 -0.11 0.00 -1.02 0.00 0.00 32.46 29.66 1mx1 n ARG 3171CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx1 s LEU 3172N -1.02 2.82 0.00 0.55 1.43 -1.26 -4.22 118.68 116.98 1mx1 s LEU 3172Ca 0.58 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1mx1 s LEU 3172Cb -0.56 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1mx1 s LEU 3172CO 0.60 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.46 1mx1 n GLY 3173N -0.89 2.38 0.23 -3.19 0.00 0.52 -0.99 105.19 103.24 1mx1 n GLY 3173Ca -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 1mx1 n GLY 3173CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mx1 h ILE 3174N 0.00 0.93 -0.54 -0.61 2.04 -1.93 0.36 117.51 117.75 1mx1 h ILE 3174Ca 0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1mx1 h ILE 3174Cb 0.00 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1mx1 h ILE 3174CO 0.00 0.10 0.23 -0.50 0.00 0.00 0.00 178.15 177.98 1mx1 h TRP 3175N 0.54 0.77 0.00 1.37 6.55 -1.81 -2.24 115.95 121.13 1mx1 h TRP 3175Ca 0.26 -0.03 -0.06 0.00 0.95 0.00 0.00 58.89 60.01 1mx1 h TRP 3175Cb 0.19 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.24 1mx1 h TRP 3175CO -0.11 0.59 -1.50 0.41 -1.05 0.00 0.00 178.44 176.78 1mx1 n GLY 3176N -1.12 -1.23 0.20 1.49 0.00 -0.16 -4.48 105.19 99.87 1mx1 n GLY 3176Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.77 1mx1 n GLY 3176CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mx1 n PHE 3177N -2.59 0.00 -1.91 1.61 3.72 0.12 -0.88 117.46 117.53 1mx1 n PHE 3177Ca -0.05 -0.18 -0.42 0.00 -0.05 0.00 0.00 57.45 56.75 1mx1 n PHE 3177Cb 0.65 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 39.12 1mx1 n PHE 3177CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1mx1 s PHE 3178N -0.46 2.82 -0.02 1.38 2.19 -0.85 -4.54 117.98 118.50 1mx1 s PHE 3178Ca 0.04 0.48 0.01 0.00 0.33 0.00 0.00 56.93 57.79 1mx1 s PHE 3178Cb 0.03 -3.96 0.01 0.00 -1.31 0.00 0.00 43.02 37.79 1mx1 s PHE 3178CO 0.00 -3.68 -0.01 0.45 1.83 0.00 0.00 175.22 173.81 1mx1 s SER 3179N 1.60 0.35 0.00 6.13 0.15 -1.26 -3.88 113.70 116.79 1mx1 s SER 3179Ca 0.72 -0.03 0.24 0.00 0.70 0.00 0.00 55.95 57.58 1mx1 s SER 3179Cb -0.43 -0.13 0.29 0.00 -1.71 0.00 0.00 66.02 64.04 1mx1 s SER 3179CO 0.32 -0.04 1.28 0.35 1.20 0.00 0.00 173.24 176.35 1mx1 n THR 3180N 3.59 0.00 -0.72 6.45 -2.24 -0.13 -4.46 114.28 116.77 1mx1 n THR 3180Ca -0.20 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1mx1 n THR 3180Cb 0.54 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1mx1 n THR 3180CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx1 n GLY 3181N 1.37 0.81 0.00 3.38 0.00 -1.25 -4.50 105.19 105.01 1mx1 n GLY 3181Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1mx1 n GLY 3181CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx1 n ASP 3182N 0.00 0.00 0.22 1.61 3.85 -1.26 -5.02 116.55 115.94 1mx1 n ASP 3182Ca 0.00 -0.90 0.15 0.00 -0.71 0.00 0.00 54.79 53.33 1mx1 n ASP 3182Cb 0.00 0.00 0.72 0.00 -1.35 0.00 0.00 41.12 40.49 1mx1 n ASP 3182CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1mx1 h GLU 3183N 0.00 0.00 0.00 0.11 9.09 -1.95 -2.35 114.58 119.48 1mx1 h GLU 3183Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mx1 h GLU 3183Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1mx1 h GLU 3183CO 0.00 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.78 1mx1 n HIS 3184N -2.60 0.38 -2.66 2.06 8.25 -1.26 -4.44 115.22 114.95 1mx1 n HIS 3184Ca -0.00 0.13 -0.03 0.00 -0.26 0.00 0.00 57.72 57.55 1mx1 n HIS 3184Cb 0.15 -0.71 0.04 0.00 1.12 0.00 0.00 29.99 30.60 1mx1 n HIS 3184CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1mx1 n SER 3185N -1.83 -1.20 -0.34 0.41 2.88 -0.96 -4.92 113.62 107.66 1mx1 n SER 3185Ca 0.05 -0.79 0.01 0.00 -1.33 0.00 0.00 58.87 56.80 1mx1 n SER 3185Cb 0.30 0.61 0.15 0.00 -0.75 0.00 0.00 64.21 64.52 1mx1 n SER 3185CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1mx1 h ARG 3186N 3.99 1.05 0.00 -1.46 3.08 -1.65 -0.32 114.38 119.07 1mx1 h ARG 3186Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1mx1 h ARG 3186Cb 1.18 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1mx1 h ARG 3186CO -0.14 0.70 0.00 0.41 -1.07 0.00 0.00 179.97 179.87 1mx1 n GLY 3187N -1.34 -1.22 2.43 0.04 0.00 -1.25 -4.64 105.19 99.20 1mx1 n GLY 3187Ca 0.13 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 1mx1 n GLY 3187CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mx1 n ASN 3188N 0.00 -5.44 -0.15 1.61 3.02 -1.25 -4.88 115.26 108.17 1mx1 n ASN 3188Ca 0.00 0.03 -0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1mx1 n ASN 3188Cb 0.00 -4.54 0.25 0.00 -0.61 0.00 0.00 39.78 34.88 1mx1 n ASN 3188CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1mx1 h TRP 3189N -0.03 0.85 -0.31 3.10 4.06 -1.34 -1.95 115.95 120.33 1mx1 h TRP 3189Ca -0.45 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.43 1mx1 h TRP 3189Cb 1.33 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 1mx1 h TRP 3189CO 0.60 0.60 -0.04 0.78 -3.56 0.00 0.00 178.44 176.82 1mx1 h GLY 3190N 0.94 0.53 1.56 1.49 0.00 -1.40 -0.23 103.07 105.96 1mx1 h GLY 3190Ca 0.22 -0.32 -0.21 0.00 0.00 0.00 0.00 47.33 47.02 1mx1 h GLY 3190CO -0.03 0.30 -0.86 0.45 0.00 0.00 0.00 176.54 176.40 1mx1 h HIS 3191N 0.47 0.58 -0.02 5.60 3.86 -1.69 -2.35 115.15 121.60 1mx1 h HIS 3191Ca 0.10 -0.29 -0.08 0.00 -1.16 0.00 0.00 60.37 58.93 1mx1 h HIS 3191Cb 0.36 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1mx1 h HIS 3191CO 0.01 1.09 -0.37 -0.07 0.86 0.00 0.00 177.93 179.45 1mx1 h LEU 3192N 0.25 0.05 -0.86 2.43 3.38 -0.96 -0.71 115.31 118.89 1mx1 h LEU 3192Ca -0.06 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1mx1 h LEU 3192Cb 1.47 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 1mx1 h LEU 3192CO 0.15 0.41 -0.19 0.44 0.09 0.00 0.00 178.44 179.34 1mx1 h ASP 3193N 0.04 0.63 -0.58 -0.43 3.32 -0.85 0.15 116.42 118.71 1mx1 h ASP 3193Ca 0.00 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.74 1mx1 h ASP 3193Cb 0.67 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1mx1 h ASP 3193CO 0.05 0.83 -0.05 1.56 -1.72 0.00 0.00 179.24 179.91 1mx1 h GLN 3194N 0.57 1.06 -0.46 3.56 4.20 -0.72 -1.68 115.11 121.63 1mx1 h GLN 3194Ca 0.09 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 1mx1 h GLN 3194Cb 0.65 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1mx1 h GLN 3194CO 0.05 1.06 -0.02 0.28 -0.67 0.00 0.00 178.83 179.52 1mx1 h VAL 3195N 0.95 1.26 -0.91 -0.54 2.07 -0.80 -2.18 116.25 116.11 1mx1 h VAL 3195Ca 0.16 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.62 1mx1 h VAL 3195Cb 0.61 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1mx1 h VAL 3195CO 0.04 0.38 0.59 0.00 0.02 0.00 0.00 177.57 178.60 1mx1 h ALA 3196N 0.91 1.19 -0.41 1.67 0.00 -0.71 -0.40 119.26 121.51 1mx1 h ALA 3196Ca 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1mx1 h ALA 3196Cb 0.53 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1mx1 h ALA 3196CO 0.03 0.47 -0.16 0.00 0.00 0.00 0.00 179.25 179.59 1mx1 h ALA 3197N 1.37 0.95 -0.05 0.00 0.00 -1.11 -0.22 119.26 120.21 1mx1 h ALA 3197Ca 0.36 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1mx1 h ALA 3197Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mx1 h ALA 3197CO -0.11 0.61 -0.40 -0.07 0.00 0.00 0.00 179.25 179.28 1mx1 h LEU 3198N 0.68 0.10 -0.32 0.00 3.38 -0.79 -0.79 115.31 117.57 1mx1 h LEU 3198Ca 0.11 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 1mx1 h LEU 3198Cb 0.65 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1mx1 h LEU 3198CO 0.05 0.49 -0.60 -0.09 0.09 0.00 0.00 178.44 178.37 1mx1 h ARG 3199N 0.08 0.78 -0.79 1.13 2.43 -0.60 -2.38 114.38 115.04 1mx1 h ARG 3199Ca 0.01 -0.52 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 1mx1 h ARG 3199Cb 0.74 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 1mx1 h ARG 3199CO 0.06 1.15 0.31 2.35 -1.51 0.00 0.00 179.97 182.32 1mx1 h TRP 3200N 0.58 1.22 -0.70 2.20 7.01 -0.60 -2.44 115.95 123.21 1mx1 h TRP 3200Ca -0.00 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 1mx1 h TRP 3200Cb 1.20 -0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 27.87 1mx1 h TRP 3200CO 0.07 0.92 0.40 0.28 -2.79 0.00 0.00 178.44 177.32 1mx1 h VAL 3201N 1.16 1.21 -0.83 2.65 2.07 -1.01 -0.04 116.25 121.44 1mx1 h VAL 3201Ca 0.26 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1mx1 h VAL 3201Cb 0.23 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1mx1 h VAL 3201CO -0.02 0.23 0.54 1.56 0.02 0.00 0.00 177.57 179.89 1mx1 h GLN 3202N 0.96 1.11 0.00 1.57 1.08 -1.09 0.33 115.11 119.07 1mx1 h GLN 3202Ca 0.25 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.30 1mx1 h GLN 3202Cb 0.01 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 1mx1 h GLN 3202CO -0.04 0.75 -0.63 -0.44 -0.95 0.00 0.00 178.83 177.52 1mx1 h ASP 3203N 1.14 0.00 0.00 1.46 3.32 -0.95 -3.42 116.42 117.97 1mx1 h ASP 3203Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1mx1 h ASP 3203Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1mx1 h ASP 3203CO -0.06 0.29 -0.84 0.59 -1.72 0.00 0.00 179.24 177.49 1mx1 n ASN 3204N -3.03 4.21 -0.20 6.45 3.02 -0.08 -4.79 115.26 120.84 1mx1 n ASN 3204Ca 0.00 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.77 1mx1 n ASN 3204Cb 0.66 0.65 0.59 0.00 -0.61 0.00 0.00 39.78 41.07 1mx1 n ASN 3204CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1mx1 h ILE 3205N 0.00 0.66 -0.65 2.41 6.09 -1.10 -0.43 117.51 124.48 1mx1 h ILE 3205Ca 0.00 -0.09 0.11 0.00 -1.37 0.00 0.00 64.86 63.52 1mx1 h ILE 3205Cb 0.38 0.38 -0.04 0.00 0.47 0.00 0.00 36.82 38.01 1mx1 h ILE 3205CO 0.00 0.05 0.44 0.00 -3.07 0.00 0.00 178.15 175.56 1mx1 h ALA 3206N 1.61 2.04 0.00 0.18 0.00 -1.78 0.42 119.26 121.73 1mx1 h ALA 3206Ca 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1mx1 h ALA 3206Cb 1.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1mx1 h ALA 3206CO -0.11 -0.20 -0.00 0.77 0.00 0.00 0.00 179.25 179.71 1mx1 h SER 3207N 0.42 0.00 -0.53 0.00 0.02 -1.35 -1.74 113.55 110.36 1mx1 h SER 3207Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1mx1 h SER 3207Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1mx1 h SER 3207CO -0.09 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.09 1mx1 n PHE 3208N -3.09 1.23 -0.77 3.45 3.01 0.13 -4.83 117.46 116.59 1mx1 n PHE 3208Ca -0.01 -0.64 0.00 0.00 1.01 0.00 0.00 57.45 57.81 1mx1 n PHE 3208Cb 0.20 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1mx1 n PHE 3208CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx1 n GLY 3209N 0.75 0.61 3.94 1.37 0.00 -0.66 -4.76 105.19 106.45 1mx1 n GLY 3209Ca 0.23 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1mx1 n GLY 3209CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mx1 s GLY 3210N -2.03 1.51 -0.40 -0.02 0.00 -0.34 -0.99 107.32 105.04 1mx1 s GLY 3210Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 44.72 43.74 1mx1 s GLY 3210CO 0.00 -0.83 0.24 0.21 0.00 0.00 0.00 173.10 172.73 1mx1 s ASN 3211N -3.70 5.67 0.25 1.64 2.47 0.38 -3.06 114.94 118.59 1mx1 s ASN 3211Ca 0.39 -1.32 0.19 0.00 0.42 0.00 0.00 52.86 52.54 1mx1 s ASN 3211Cb -0.10 -2.00 0.95 0.00 -1.45 0.00 0.00 41.25 38.65 1mx1 s ASN 3211CO 0.33 -0.49 1.58 -0.81 -3.72 0.00 0.00 177.10 173.99 1mx1 n PRO 3212N 4.95 0.13 0.00 0.43 -0.04 -1.26 -0.94 135.00 138.26 1mx1 n PRO 3212Ca -0.11 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.05 1mx1 n PRO 3212Cb 0.44 -1.86 0.58 0.00 -0.04 0.00 0.00 33.50 32.61 1mx1 n PRO 3212CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mx1 n GLY 3213N -0.99 -1.30 2.44 0.55 0.00 -1.26 -4.38 105.19 100.24 1mx1 n GLY 3213Ca -0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1mx1 n GLY 3213CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mx1 n SER 3214N -1.35 0.39 -4.46 1.61 2.88 -0.12 -4.90 113.62 107.68 1mx1 n SER 3214Ca 0.10 -2.61 -0.34 0.00 -1.33 0.00 0.00 58.87 54.68 1mx1 n SER 3214Cb 0.31 -0.61 -0.13 0.00 -0.75 0.00 0.00 64.21 63.04 1mx1 n SER 3214CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mx1 s VAL 3215N -0.53 3.80 -0.15 2.46 1.01 -1.26 -1.67 120.40 124.06 1mx1 s VAL 3215Ca 0.32 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1mx1 s VAL 3215Cb 0.06 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1mx1 s VAL 3215CO -0.17 0.47 -0.09 -0.89 0.00 0.00 0.00 175.10 174.41 1mx1 s THR 3216N 0.65 3.27 -0.15 3.92 2.01 0.71 0.54 115.64 126.59 1mx1 s THR 3216Ca -0.02 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 1mx1 s THR 3216Cb -0.14 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1mx1 s THR 3216CO 0.02 0.50 0.07 0.27 -0.69 0.00 0.00 174.62 174.79 1mx1 s ILE 3217N 0.60 4.88 0.00 1.82 -4.36 -0.65 -0.12 121.20 123.37 1mx1 s ILE 3217Ca -0.06 -0.01 -0.11 0.00 -0.26 0.00 0.00 60.65 60.21 1mx1 s ILE 3217Cb -0.15 -3.15 0.01 0.00 1.25 0.00 0.00 42.46 40.42 1mx1 s ILE 3217CO 0.03 0.53 0.22 0.72 0.24 0.00 0.00 174.94 176.67 1mx1 s PHE 3218N -0.23 -0.04 0.16 1.37 -0.71 -0.38 -0.73 117.98 117.42 1mx1 s PHE 3218Ca 0.08 -0.01 -0.25 0.00 -1.04 0.00 0.00 56.93 55.71 1mx1 s PHE 3218Cb -0.12 0.01 0.06 0.00 -1.21 0.00 0.00 43.02 41.76 1mx1 s PHE 3218CO 0.01 -0.36 0.96 0.20 -1.34 0.00 0.00 175.22 174.69 1mx1 s GLY 3219N -1.51 -0.23 0.03 1.99 0.00 -0.97 -1.02 107.32 105.61 1mx1 s GLY 3219Ca -0.12 0.11 0.05 0.00 0.00 0.00 0.00 44.72 44.76 1mx1 s GLY 3219CO 0.02 0.00 -0.14 -1.83 0.00 0.00 0.00 173.10 171.14 1mx1 s GLU 3220N -3.30 0.96 7.17 2.90 4.04 -1.24 -1.02 118.70 128.21 1mx1 s GLU 3220Ca 0.12 -0.73 0.00 0.00 0.04 0.00 0.00 54.97 54.40 1mx1 s GLU 3220Cb -0.01 -0.97 0.00 0.00 0.02 0.00 0.00 34.13 33.17 1mx1 s GLU 3220CO 0.02 0.24 0.00 0.43 -1.84 0.00 0.00 175.26 174.12 1mx1 n SER 3221N 1.99 0.00 -0.13 0.83 7.64 0.48 -2.03 113.62 122.41 1mx1 n SER 3221Ca -0.18 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.85 1mx1 n SER 3221Cb 0.55 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.26 1mx1 n SER 3221CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mx1 h ALA 3222N -0.53 2.11 0.00 -0.43 0.00 -1.86 0.75 119.26 119.31 1mx1 h ALA 3222Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1mx1 h ALA 3222Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1mx1 h ALA 3222CO 0.00 -0.29 -0.51 0.78 0.00 0.00 0.00 179.25 179.23 1mx1 h GLY 3223N 0.39 0.00 1.07 0.00 0.00 -1.38 0.16 103.07 103.30 1mx1 h GLY 3223Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.50 1mx1 h GLY 3223CO -0.10 0.00 -0.49 -1.33 0.00 0.00 0.00 176.54 174.63 1mx1 h GLY 3224N 1.57 0.86 1.48 4.60 0.00 0.36 -1.45 103.07 110.49 1mx1 h GLY 3224Ca -0.01 -1.01 -0.08 0.00 0.00 0.00 0.00 47.33 46.23 1mx1 h GLY 3224CO 0.07 0.91 -0.12 -2.09 0.00 0.00 0.00 176.54 175.30 1mx1 h GLU 3225N 0.54 0.63 -0.43 4.80 4.22 -0.39 -1.59 114.58 122.36 1mx1 h GLU 3225Ca 0.01 -0.20 -0.04 0.00 0.08 0.00 0.00 59.36 59.22 1mx1 h GLU 3225Cb 1.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1mx1 h GLU 3225CO 0.11 0.73 0.11 0.77 -2.18 0.00 0.00 179.01 178.56 1mx1 h SER 3226N 0.57 0.64 -0.92 1.04 0.02 -0.48 0.89 113.55 115.31 1mx1 h SER 3226Ca 0.10 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1mx1 h SER 3226Cb 0.55 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1mx1 h SER 3226CO 0.03 0.70 0.58 0.58 -1.14 0.00 0.00 176.83 177.58 1mx1 h VAL 3227N 0.56 1.25 -0.72 2.27 2.07 -0.94 0.38 116.25 121.11 1mx1 h VAL 3227Ca 0.14 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1mx1 h VAL 3227Cb 0.30 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1mx1 h VAL 3227CO -0.00 0.25 0.29 -1.28 0.02 0.00 0.00 177.57 176.85 1mx1 h SER 3228N 1.26 1.00 -0.39 0.57 0.87 -0.79 -1.56 113.55 114.50 1mx1 h SER 3228Ca 0.33 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 1mx1 h SER 3228Cb -0.09 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.60 1mx1 h SER 3228CO -0.07 0.90 -0.24 0.58 -0.53 0.00 0.00 176.83 177.47 1mx1 h VAL 3229N 1.03 1.27 -0.48 2.23 2.07 -0.19 -2.87 116.25 119.32 1mx1 h VAL 3229Ca 0.24 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1mx1 h VAL 3229Cb 0.21 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1mx1 h VAL 3229CO -0.02 0.47 0.13 -0.07 0.02 0.00 0.00 177.57 178.10 1mx1 h LEU 3230N 0.77 0.66 -1.69 2.57 3.38 -0.57 -1.42 115.31 119.02 1mx1 h LEU 3230Ca 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1mx1 h LEU 3230Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1mx1 h LEU 3230CO 0.07 0.65 -0.18 0.58 0.09 0.00 0.00 178.44 179.65 1mx1 h VAL 3231N 0.70 0.99 -0.02 1.22 2.07 -1.08 -2.75 116.25 117.38 1mx1 h VAL 3231Ca 0.16 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1mx1 h VAL 3231Cb 0.24 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1mx1 h VAL 3231CO -0.01 0.18 -0.04 0.18 0.02 0.00 0.00 177.57 177.90 1mx1 n LEU 3232N -4.12 2.30 -4.66 2.57 4.77 -0.61 -2.08 117.00 115.18 1mx1 n LEU 3232Ca -0.02 -0.77 -0.35 0.00 -0.03 0.00 0.00 56.01 54.84 1mx1 n LEU 3232Cb 0.25 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1mx1 n LEU 3232CO 0.35 0.39 -0.25 -0.55 -1.33 0.00 0.00 177.39 176.00 1mx1 s SER 3233N -2.06 5.67 0.55 -1.43 0.15 -0.77 -4.88 113.70 110.94 1mx1 s SER 3233Ca 0.31 0.12 0.32 0.00 0.70 0.00 0.00 55.95 57.40 1mx1 s SER 3233Cb 0.20 -1.94 1.59 0.00 -1.71 0.00 0.00 66.02 64.16 1mx1 s SER 3233CO 0.34 0.21 2.09 1.55 1.20 0.00 0.00 173.24 178.63 1mx1 h PRO 3234N 6.46 0.00 0.00 5.44 0.13 -1.86 -2.66 132.00 139.51 1mx1 h PRO 3234Ca -0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1mx1 h PRO 3234Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1mx1 h PRO 3234CO 0.69 0.07 -0.12 -0.07 -0.23 0.00 0.00 178.00 178.34 1mx1 h LEU 3235N 0.00 0.00 -2.54 1.56 3.38 -1.83 -3.00 115.31 112.88 1mx1 h LEU 3235Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mx1 h LEU 3235Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1mx1 h LEU 3235CO 0.01 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1mx1 n ALA 3236N -2.23 2.40 -1.71 1.53 0.00 -1.00 -4.97 120.51 114.52 1mx1 n ALA 3236Ca -0.01 -1.15 -0.43 0.00 0.00 0.00 0.00 53.44 51.85 1mx1 n ALA 3236Cb 0.28 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 1mx1 n ALA 3236CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1mx1 n LYS 3237N 1.59 2.27 -1.07 0.00 2.85 -1.14 -1.44 118.16 121.22 1mx1 n LYS 3237Ca 0.22 0.80 -0.02 0.00 -1.05 0.00 0.00 58.31 58.26 1mx1 n LYS 3237Cb 0.62 -2.44 -0.01 0.00 -0.65 0.00 0.00 35.03 32.55 1mx1 n LYS 3237CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1mx1 n ASN 3238N 1.06 -4.93 0.01 -5.58 3.02 -1.26 -4.86 115.26 102.72 1mx1 n ASN 3238Ca 0.05 0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.77 1mx1 n ASN 3238Cb 0.36 -2.64 -0.05 0.00 -0.61 0.00 0.00 39.78 36.85 1mx1 n ASN 3238CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mx1 n LEU 3239N -0.27 0.67 -3.69 3.41 4.77 -0.52 -4.98 117.00 116.39 1mx1 n LEU 3239Ca -0.02 -0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.64 1mx1 n LEU 3239Cb 0.35 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1mx1 n LEU 3239CO 0.04 0.13 0.15 0.72 -1.33 0.00 0.00 177.39 177.10 1mx1 s PHE 3240N -3.15 -0.12 0.00 -1.77 -0.71 -1.26 -4.84 117.98 106.13 1mx1 s PHE 3240Ca 0.04 -0.21 0.00 0.00 -1.04 0.00 0.00 56.93 55.72 1mx1 s PHE 3240Cb 0.15 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 42.20 1mx1 s PHE 3240CO 0.84 -0.73 0.19 0.72 -1.34 0.00 0.00 175.22 174.90 1mx1 n HIS 3241N -0.24 0.00 -3.59 3.49 8.25 0.19 -4.91 115.22 118.41 1mx1 n HIS 3241Ca -0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.15 1mx1 n HIS 3241Cb 0.63 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.68 1mx1 n HIS 3241CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mx1 s ARG 3242N -0.30 0.94 0.02 -0.41 0.52 -1.14 -4.04 118.95 114.53 1mx1 s ARG 3242Ca 0.00 0.19 0.01 0.00 -0.52 0.00 0.00 55.73 55.41 1mx1 s ARG 3242Cb 0.00 0.44 -0.02 0.00 0.52 0.00 0.00 34.95 35.89 1mx1 s ARG 3242CO 0.00 -0.28 -0.05 0.00 0.02 0.00 0.00 175.30 175.00 1mx1 s ALA 3243N -1.11 0.32 -0.07 2.13 0.00 -0.61 -1.64 121.76 120.78 1mx1 s ALA 3243Ca -0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1mx1 s ALA 3243Cb -0.02 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1mx1 s ALA 3243CO 0.08 -0.05 0.02 0.42 0.00 0.00 0.00 175.76 176.23 1mx1 s ILE 3244N -1.07 0.21 -0.25 0.00 1.01 0.09 -0.80 121.20 120.40 1mx1 s ILE 3244Ca -0.09 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.71 1mx1 s ILE 3244Cb -0.08 -0.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.97 1mx1 s ILE 3244CO -0.00 0.21 0.00 -0.44 0.00 0.00 0.00 174.94 174.71 1mx1 s SER 3245N 2.04 4.64 -0.35 3.58 0.01 0.08 -2.30 113.70 121.39 1mx1 s SER 3245Ca 0.05 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 56.73 1mx1 s SER 3245Cb -0.12 -1.80 0.04 0.00 0.21 0.00 0.00 66.02 64.35 1mx1 s SER 3245CO -0.05 -0.08 0.14 -1.61 0.41 0.00 0.00 173.24 172.06 1mx1 s GLU 3246N 1.49 2.69 -1.14 12.44 2.02 -0.19 -1.70 118.70 134.31 1mx1 s GLU 3246Ca 0.04 -1.14 -0.05 0.00 0.02 0.00 0.00 54.97 53.84 1mx1 s GLU 3246Cb -0.15 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 1mx1 s GLU 3246CO -0.01 -0.68 0.89 0.43 0.02 0.00 0.00 175.26 175.92 1mx1 n SER 3247N 4.88 -4.40 0.00 -0.19 7.64 -0.20 -0.38 113.62 120.96 1mx1 n SER 3247Ca -0.12 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1mx1 n SER 3247Cb 0.45 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 1mx1 n SER 3247CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mx1 n GLY 3248N -1.31 3.08 3.31 0.23 0.00 -1.26 -2.33 105.19 106.91 1mx1 n GLY 3248Ca -0.17 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1mx1 n GLY 3248CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx1 s VAL 3249N 0.00 0.00 -0.66 1.61 -7.23 -1.26 -2.84 120.40 110.02 1mx1 s VAL 3249Ca 0.00 -1.86 0.12 0.00 -1.81 0.00 0.00 61.98 58.44 1mx1 s VAL 3249Cb 0.00 -2.47 0.12 0.00 0.56 0.00 0.00 36.38 34.60 1mx1 s VAL 3249CO 0.00 0.00 1.38 0.00 -0.31 0.00 0.00 175.10 176.17 1mx1 n ALA 3250N -0.38 1.19 1.02 1.32 0.00 -1.26 -1.37 120.51 121.03 1mx1 n ALA 3250Ca 0.02 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1mx1 n ALA 3250Cb 0.64 -1.19 0.32 0.00 0.00 0.00 0.00 19.45 19.23 1mx1 n ALA 3250CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mx1 n LEU 3251N -1.85 2.27 -4.57 0.00 4.77 -1.26 -4.65 117.00 111.70 1mx1 n LEU 3251Ca 0.00 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 1mx1 n LEU 3251Cb 0.06 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1mx1 n LEU 3251CO 0.08 0.45 1.78 -0.89 -1.33 0.00 0.00 177.39 177.47 1mx1 s THR 3252N -1.79 4.02 0.22 -5.08 2.01 -0.47 -4.83 115.64 109.72 1mx1 s THR 3252Ca 0.34 -1.45 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1mx1 s THR 3252Cb 0.20 -5.12 0.30 0.00 0.01 0.00 0.00 72.50 67.89 1mx1 s THR 3252CO 0.29 -1.95 1.09 -1.54 -0.69 0.00 0.00 174.62 171.82 1mx1 n SER 3253N 8.81 -0.09 -0.18 3.53 3.41 -1.26 -1.71 113.62 126.14 1mx1 n SER 3253Ca 0.43 1.19 0.22 0.00 -0.26 0.00 0.00 58.87 60.45 1mx1 n SER 3253Cb 0.48 -0.43 0.61 0.00 -0.26 0.00 0.00 64.21 64.61 1mx1 n SER 3253CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1mx1 h VAL 3254N 0.00 0.65 -0.01 -3.33 3.04 -1.80 0.13 116.25 114.93 1mx1 h VAL 3254Ca 0.42 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1mx1 h VAL 3254Cb 0.86 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1mx1 h VAL 3254CO -0.66 0.04 -0.15 0.18 -1.01 0.00 0.00 177.57 175.97 1mx1 n LEU 3255N -4.41 0.82 -4.15 3.16 4.77 -0.69 -4.80 117.00 111.70 1mx1 n LEU 3255Ca 0.17 -0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1mx1 n LEU 3255Cb 0.77 -0.13 -0.16 0.00 -2.33 0.00 0.00 43.42 41.57 1mx1 n LEU 3255CO 0.34 0.15 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.33 1mx1 s VAL 3256N -2.41 2.07 -0.29 4.08 1.01 0.03 -1.62 120.40 123.28 1mx1 s VAL 3256Ca 0.29 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 1mx1 s VAL 3256Cb 0.20 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1mx1 s VAL 3256CO 0.47 0.54 0.64 -0.54 0.00 0.00 0.00 175.10 176.22 1mx1 s LYS 3257N 1.01 3.97 0.17 2.72 -0.14 0.93 -4.89 119.74 123.51 1mx1 s LYS 3257Ca -0.02 0.40 0.07 0.00 -1.36 0.00 0.00 55.97 55.06 1mx1 s LYS 3257Cb -0.15 -3.70 -0.04 0.00 -1.68 0.00 0.00 37.83 32.26 1mx1 s LYS 3257CO -0.06 -0.53 -0.01 -1.59 -0.76 0.00 0.00 175.35 172.40 1mx1 s LYS 3258N 2.60 2.38 2.18 1.68 0.00 -1.26 -4.31 119.74 123.01 1mx1 s LYS 3258Ca 0.26 -1.10 0.00 0.00 0.00 0.00 0.00 55.97 55.13 1mx1 s LYS 3258Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 37.83 35.33 1mx1 s LYS 3258CO 0.11 0.46 0.00 0.41 0.00 0.00 0.00 175.35 176.33 1mx1 n GLY 3259N -0.06 -0.93 3.60 0.59 0.00 -1.26 -4.76 105.19 102.37 1mx1 n GLY 3259Ca -0.10 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1mx1 n GLY 3259CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx1 s ASP 3260N -4.00 6.69 0.00 1.61 2.15 -1.26 -4.89 116.67 116.97 1mx1 s ASP 3260Ca 0.00 0.59 0.27 0.00 0.43 0.00 0.00 52.55 53.84 1mx1 s ASP 3260Cb 0.00 -2.48 0.86 0.00 -0.30 0.00 0.00 42.92 41.00 1mx1 s ASP 3260CO 0.00 -0.90 1.64 1.33 -0.17 0.00 0.00 175.17 177.07 1mx1 n VAL 3261N 6.05 0.00 -0.29 1.11 0.24 -1.26 -4.28 118.33 119.90 1mx1 n VAL 3261Ca 0.08 -0.04 0.08 0.00 -2.04 0.00 0.00 64.34 62.41 1mx1 n VAL 3261Cb 0.48 0.07 0.23 0.00 -1.47 0.00 0.00 33.84 33.15 1mx1 n VAL 3261CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1mx1 h LYS 3262N 0.40 0.58 -0.60 7.34 1.63 -1.85 -2.10 116.57 121.97 1mx1 h LYS 3262Ca 0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1mx1 h LYS 3262Cb 0.47 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 1mx1 h LYS 3262CO 0.00 0.38 0.32 -1.35 -3.45 0.00 0.00 179.45 175.35 1mx1 h PRO 3263N 0.60 0.83 -0.18 1.90 0.11 -1.96 -0.83 132.00 132.47 1mx1 h PRO 3263Ca 0.47 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.38 1mx1 h PRO 3263Cb 0.68 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 1mx1 h PRO 3263CO -0.38 0.62 -0.31 1.25 -0.21 0.00 0.00 178.00 178.97 1mx1 h LEU 3264N 0.84 0.59 -0.41 2.35 6.46 -1.70 -1.93 115.31 121.52 1mx1 h LEU 3264Ca 0.21 -0.53 0.08 0.00 -0.12 0.00 0.00 57.88 57.52 1mx1 h LEU 3264Cb 0.04 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 39.73 1mx1 h LEU 3264CO -0.03 1.01 -0.05 0.00 -0.62 0.00 0.00 178.44 178.75 1mx1 h ALA 3265N 0.60 0.32 -0.56 1.25 0.00 -0.93 -1.19 119.26 118.74 1mx1 h ALA 3265Ca 0.01 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1mx1 h ALA 3265Cb 0.90 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1mx1 h ALA 3265CO 0.07 -0.43 0.11 0.93 0.00 0.00 0.00 179.25 179.94 1mx1 h GLU 3266N 0.05 0.88 -0.07 0.00 5.08 -1.10 -1.29 114.58 118.13 1mx1 h GLU 3266Ca 0.20 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1mx1 h GLU 3266Cb 0.30 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1mx1 h GLU 3266CO -0.38 0.81 -0.33 0.37 -1.00 0.00 0.00 179.01 178.47 1mx1 h GLN 3267N 0.84 0.14 -0.03 2.33 4.15 -0.57 0.14 115.11 122.11 1mx1 h GLN 3267Ca 0.18 -0.05 -0.24 0.00 0.77 0.00 0.00 58.65 59.30 1mx1 h GLN 3267Cb 0.34 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 28.04 1mx1 h GLN 3267CO 0.00 0.47 -0.92 0.82 -1.93 0.00 0.00 178.83 177.27 1mx1 h ILE 3268N 0.13 1.30 -0.22 2.39 2.04 -0.91 -2.05 117.51 120.19 1mx1 h ILE 3268Ca 0.02 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.71 1mx1 h ILE 3268Cb 0.66 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1mx1 h ILE 3268CO 0.05 0.67 0.12 0.00 0.00 0.00 0.00 178.15 178.99 1mx1 h ALA 3269N 0.42 0.28 -0.67 1.87 0.00 -0.93 -1.30 119.26 118.93 1mx1 h ALA 3269Ca -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1mx1 h ALA 3269Cb 1.58 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1mx1 h ALA 3269CO 0.18 -0.19 0.28 0.82 0.00 0.00 0.00 179.25 180.34 1mx1 h ILE 3270N 0.26 1.23 -0.12 0.00 2.04 -1.01 0.17 117.51 120.07 1mx1 h ILE 3270Ca 0.08 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.15 1mx1 h ILE 3270Cb 0.06 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1mx1 h ILE 3270CO -0.01 0.28 -0.33 0.74 0.00 0.00 0.00 178.15 178.83 1mx1 h THR 3271N 0.96 1.28 -0.00 -0.27 2.02 -1.07 -2.23 112.91 113.59 1mx1 h THR 3271Ca 0.23 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1mx1 h THR 3271Cb 0.16 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1mx1 h THR 3271CO -0.02 0.40 -0.03 0.00 0.37 0.00 0.00 175.52 176.24 1mx1 n ALA 3272N -2.48 2.66 -1.49 6.16 0.00 -0.52 -4.89 120.51 119.96 1mx1 n ALA 3272Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1mx1 n ALA 3272Cb 0.42 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1mx1 n ALA 3272CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx1 n GLY 3273N 1.14 0.60 3.77 0.00 0.00 -0.84 -5.07 105.19 104.80 1mx1 n GLY 3273Ca 0.19 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1mx1 n GLY 3273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s LYS 3275N -3.20 3.79 -0.25 0.00 1.02 -1.26 -3.92 119.74 115.92 1mx1 s LYS 3275Ca 0.31 0.61 0.11 0.00 0.02 0.00 0.00 55.97 57.02 1mx1 s LYS 3275Cb -0.09 -2.29 0.47 0.00 -0.52 0.00 0.00 37.83 35.39 1mx1 s LYS 3275CO 0.23 -0.16 1.37 0.25 -0.92 0.00 0.00 175.35 176.11 1mx1 n THR 3276N -1.58 2.39 -0.24 2.17 -2.24 -1.26 -4.21 114.28 109.31 1mx1 n THR 3276Ca 0.04 -2.79 0.03 0.00 -2.27 0.00 0.00 64.05 59.06 1mx1 n THR 3276Cb 0.54 -0.29 0.15 0.00 -2.10 0.00 0.00 70.33 68.63 1mx1 n THR 3276CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mx1 h THR 3277N 0.99 0.76 -3.75 4.28 2.02 -1.95 -3.45 112.91 111.81 1mx1 h THR 3277Ca 0.13 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 1mx1 h THR 3277Cb 1.41 0.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.94 1mx1 h THR 3277CO 0.24 0.09 -0.16 0.42 0.37 0.00 0.00 175.52 176.48 1mx1 s THR 3278N -6.05 0.00 0.05 3.16 -4.23 -1.26 -5.04 115.64 102.28 1mx1 s THR 3278Ca -0.13 -1.46 -0.26 0.00 -1.18 0.00 0.00 61.69 58.66 1mx1 s THR 3278Cb 0.19 -2.27 -0.17 0.00 1.34 0.00 0.00 72.50 71.59 1mx1 s THR 3278CO 0.76 0.00 1.56 0.28 -0.54 0.00 0.00 174.62 176.68 1mx1 h SER 3279N 2.27 -0.22 -0.88 3.99 0.02 -1.97 -1.79 113.55 114.96 1mx1 h SER 3279Ca -0.27 -0.10 0.09 0.00 -0.84 0.00 0.00 61.79 60.68 1mx1 h SER 3279Cb 1.25 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.78 1mx1 h SER 3279CO 0.37 -0.04 0.57 0.00 -1.14 0.00 0.00 176.83 176.59 1mx1 h ALA 3280N 0.38 1.63 -0.37 3.77 0.00 -1.97 -0.42 119.26 122.29 1mx1 h ALA 3280Ca -0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1mx1 h ALA 3280Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mx1 h ALA 3280CO 0.04 0.19 -0.29 0.28 0.00 0.00 0.00 179.25 179.48 1mx1 h VAL 3281N 0.89 1.28 -0.24 0.00 2.07 -1.90 0.16 116.25 118.51 1mx1 h VAL 3281Ca 0.40 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1mx1 h VAL 3281Cb 0.38 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1mx1 h VAL 3281CO -0.17 0.47 -0.05 0.24 0.02 0.00 0.00 177.57 178.09 1mx1 h MET 3282N 0.67 0.45 -0.11 1.57 0.00 -0.38 -1.99 114.93 115.14 1mx1 h MET 3282Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 59.70 59.60 1mx1 h MET 3282Cb 0.82 -0.03 -0.00 0.00 0.00 0.00 0.00 31.60 32.39 1mx1 h MET 3282CO 0.07 0.67 0.03 0.28 0.00 0.00 0.00 176.91 177.96 1mx1 h VAL 3283N 0.20 1.18 -0.87 -2.22 2.07 -1.04 -1.32 116.25 114.25 1mx1 h VAL 3283Ca 0.06 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.06 1mx1 h VAL 3283Cb 0.50 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1mx1 h VAL 3283CO 0.02 0.16 0.56 -0.74 0.02 0.00 0.00 177.57 177.60 1mx1 h HIS 3284N -0.02 1.05 -0.26 1.57 -0.00 -1.00 -1.40 115.15 115.09 1mx1 h HIS 3284Ca 0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1mx1 h HIS 3284Cb 0.23 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 1mx1 h HIS 3284CO 0.00 0.59 -0.00 0.00 -0.00 0.00 0.00 177.93 178.52 1mx1 h LEU 3286N 0.23 0.00 -1.04 0.00 3.38 -0.94 -2.23 115.31 114.72 1mx1 h LEU 3286Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1mx1 h LEU 3286Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1mx1 h LEU 3286CO 0.01 0.13 -0.21 0.03 0.09 0.00 0.00 178.44 178.49 1mx1 h ARG 3287N 0.00 0.00 0.00 1.13 3.08 -1.06 -3.04 114.38 114.49 1mx1 h ARG 3287Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mx1 h ARG 3287Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1mx1 h ARG 3287CO 0.02 0.21 -0.42 1.04 -1.07 0.00 0.00 179.97 179.75 1mx1 n GLN 3288N -3.35 0.23 -2.19 0.04 1.13 -0.84 -4.89 117.38 107.52 1mx1 n GLN 3288Ca 0.00 0.10 -0.36 0.00 -1.94 0.00 0.00 57.00 54.80 1mx1 n GLN 3288Cb 0.44 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1mx1 n GLN 3288CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1mx1 s LYS 3289N -3.12 3.47 0.64 -1.09 -0.14 -1.15 -5.02 119.74 113.32 1mx1 s LYS 3289Ca 0.08 1.76 -0.11 0.00 -1.36 0.00 0.00 55.97 56.35 1mx1 s LYS 3289Cb 0.14 -2.20 -0.02 0.00 -1.68 0.00 0.00 37.83 34.07 1mx1 s LYS 3289CO 0.68 -0.79 1.03 0.95 -0.76 0.00 0.00 175.35 176.46 1mx1 s THR 3290N -1.61 4.31 0.21 2.17 -4.23 -1.26 -4.89 115.64 110.34 1mx1 s THR 3290Ca 0.69 0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 61.79 1mx1 s THR 3290Cb -0.28 -3.73 0.15 0.00 1.34 0.00 0.00 72.50 69.97 1mx1 s THR 3290CO 0.33 -0.95 1.75 -0.08 -0.54 0.00 0.00 174.62 175.14 1mx1 h GLU 3291N -0.38 0.44 -0.83 3.99 4.81 -1.98 -1.29 114.58 119.33 1mx1 h GLU 3291Ca -0.45 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1mx1 h GLU 3291Cb 1.21 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1mx1 h GLU 3291CO 0.62 0.29 0.54 1.49 -0.73 0.00 0.00 179.01 181.23 1mx1 h GLU 3292N 0.45 1.04 -0.62 1.92 4.81 -1.99 -0.19 114.58 120.01 1mx1 h GLU 3292Ca 0.31 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1mx1 h GLU 3292Cb 0.36 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1mx1 h GLU 3292CO -0.29 0.69 0.29 0.93 -0.73 0.00 0.00 179.01 179.90 1mx1 h GLU 3293N 1.08 0.90 0.00 1.92 5.08 -1.64 0.74 114.58 122.65 1mx1 h GLU 3293Ca 0.32 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1mx1 h GLU 3293Cb -0.04 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1mx1 h GLU 3293CO -0.10 0.73 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.15 1mx1 h LEU 3294N 0.85 0.00 -0.24 1.33 3.38 -0.79 -0.83 115.31 119.01 1mx1 h LEU 3294Ca 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 1mx1 h LEU 3294Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1mx1 h LEU 3294CO -0.02 0.43 -0.70 0.25 0.09 0.00 0.00 178.44 178.48 1mx1 h LEU 3295N 0.00 0.90 -1.02 1.67 5.85 -0.43 -1.20 115.31 121.08 1mx1 h LEU 3295Ca -0.00 -0.56 -0.07 0.00 0.84 0.00 0.00 57.88 58.08 1mx1 h LEU 3295Cb 0.81 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1mx1 h LEU 3295CO 0.06 1.35 -0.10 -0.33 -0.34 0.00 0.00 178.44 179.08 1mx1 h GLU 3296N 0.55 0.59 -0.60 1.25 5.08 -0.56 -0.65 114.58 120.24 1mx1 h GLU 3296Ca -0.03 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 1mx1 h GLU 3296Cb 1.32 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1mx1 h GLU 3296CO 0.14 0.69 0.01 1.15 -1.00 0.00 0.00 179.01 180.00 1mx1 h THR 3297N 0.55 1.27 -0.63 1.13 2.02 -1.00 -1.60 112.91 114.64 1mx1 h THR 3297Ca 0.10 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1mx1 h THR 3297Cb 0.50 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1mx1 h THR 3297CO 0.03 0.41 0.40 0.74 0.37 0.00 0.00 175.52 177.47 1mx1 h THR 3298N 0.95 1.17 -0.47 3.16 2.02 -0.48 -1.82 112.91 117.44 1mx1 h THR 3298Ca 0.17 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 1mx1 h THR 3298Cb 0.54 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1mx1 h THR 3298CO 0.03 0.17 -0.05 -0.07 0.37 0.00 0.00 175.52 175.97 1mx1 h LEU 3299N 0.85 0.79 -0.94 2.58 4.07 -0.88 -2.88 115.31 118.89 1mx1 h LEU 3299Ca 0.23 -0.21 -0.11 0.00 0.08 0.00 0.00 57.88 57.87 1mx1 h LEU 3299Cb -0.07 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 1mx1 h LEU 3299CO -0.05 0.89 -0.39 0.11 -1.08 0.00 0.00 178.44 177.92 1mx1 h LYS 3300N 0.75 0.28 0.00 1.13 1.57 -0.93 -2.63 116.57 116.74 1mx1 h LYS 3300Ca 0.14 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1mx1 h LYS 3300Cb 0.52 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1mx1 h LYS 3300CO 0.03 0.63 -0.23 0.52 -0.57 0.00 0.00 179.45 179.82 1mx1 h MET 3301N 0.23 0.00 -5.61 3.15 2.86 -1.14 -3.47 114.93 110.96 1mx1 h MET 3301Ca 0.02 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.36 1mx1 h MET 3301Cb 0.79 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.63 1mx1 h MET 3301CO 0.06 0.23 -0.84 1.63 1.06 0.00 0.00 176.91 179.06 1mx1 n LYS 3302N -3.62 -3.71 -1.57 1.72 5.02 -0.99 -5.00 118.16 110.00 1mx1 n LYS 3302Ca -0.01 0.82 -0.29 0.00 -2.02 0.00 0.00 58.31 56.81 1mx1 n LYS 3302Cb 0.36 -5.69 0.12 0.00 -0.02 0.00 0.00 35.03 29.80 1mx1 n LYS 3302CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1mx1 s PHE 3303N -3.41 2.66 -2.07 2.13 0.40 -1.26 -3.64 117.98 112.80 1mx1 s PHE 3303Ca 0.29 0.94 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 1mx1 s PHE 3303Cb -0.04 -3.30 0.00 0.00 0.51 0.00 0.00 43.02 40.18 1mx1 s PHE 3303CO 0.75 -2.11 0.00 1.28 0.70 0.00 0.00 175.22 175.84 1mx1 n LEU 3304N -3.61 -1.62 -3.78 -0.37 4.77 0.23 -4.95 117.00 107.67 1mx1 n LEU 3304Ca 0.07 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.28 1mx1 n LEU 3304Cb 0.58 -2.85 -0.15 0.00 -2.33 0.00 0.00 43.42 38.68 1mx1 n LEU 3304CO 0.57 -0.84 -0.27 -0.55 -1.33 0.00 0.00 177.39 174.97 1mx1 s SER 3305N -2.59 -0.06 -0.08 -1.43 0.15 -1.24 -3.99 113.70 104.47 1mx1 s SER 3305Ca 0.00 0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.55 1mx1 s SER 3305Cb 0.00 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 1mx1 s SER 3305CO 0.00 -0.11 1.26 -0.22 1.20 0.00 0.00 173.24 175.37 1mx1 s LEU 3306N 0.86 4.26 -0.26 3.45 2.96 -0.79 -4.73 118.68 124.42 1mx1 s LEU 3306Ca -0.07 1.83 -0.24 0.00 -0.22 0.00 0.00 54.13 55.44 1mx1 s LEU 3306Cb -0.09 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.04 1mx1 s LEU 3306CO -0.04 -0.66 0.80 -0.62 -1.32 0.00 0.00 176.35 174.51 1mx1 s ASP 3307N 1.73 6.76 -0.06 3.68 3.68 -1.26 -4.93 116.67 126.27 1mx1 s ASP 3307Ca 0.57 0.91 0.16 0.00 2.13 0.00 0.00 52.55 56.32 1mx1 s ASP 3307Cb -0.25 -2.42 0.57 0.00 -1.45 0.00 0.00 42.92 39.37 1mx1 s ASP 3307CO 0.21 -0.53 1.45 0.18 0.13 0.00 0.00 175.17 176.61 1mx1 n LEU 3308N 6.05 3.70 -4.41 -1.34 4.77 -1.26 -4.91 117.00 119.60 1mx1 n LEU 3308Ca 0.05 -1.86 -0.29 0.00 -0.03 0.00 0.00 56.01 53.87 1mx1 n LEU 3308Cb 0.48 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1mx1 n LEU 3308CO 0.48 0.71 -0.55 -1.10 -1.33 0.00 0.00 177.39 175.60 1mx1 s GLN 3309N -1.60 1.55 2.90 3.23 -0.21 -1.26 -5.07 119.66 119.20 1mx1 s GLN 3309Ca 0.41 -1.27 0.00 0.00 0.02 0.00 0.00 55.36 54.51 1mx1 s GLN 3309Cb 0.25 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 32.29 1mx1 s GLN 3309CO 0.22 0.47 0.00 0.41 -2.12 0.00 0.00 175.29 174.27 1mx1 n GLY 3310N 0.98 0.11 3.65 3.09 0.00 -1.26 -4.68 105.19 107.08 1mx1 n GLY 3310Ca -0.17 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1mx1 n GLY 3310CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx1 s ASP 3311N -4.00 6.95 0.49 1.61 -1.08 -1.26 -4.92 116.67 114.46 1mx1 s ASP 3311Ca 0.00 1.17 0.22 0.00 -0.52 0.00 0.00 52.55 53.42 1mx1 s ASP 3311Cb 0.00 -2.49 1.26 0.00 -1.46 0.00 0.00 42.92 40.23 1mx1 s ASP 3311CO 0.00 -0.63 1.94 -0.65 0.52 0.00 0.00 175.17 176.34 1mx1 h PRO 3312N 7.65 0.18 0.00 4.34 0.11 -1.85 -0.78 132.00 141.64 1mx1 h PRO 3312Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1mx1 h PRO 3312Cb 1.07 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1mx1 h PRO 3312CO 0.94 0.12 0.00 0.54 -0.21 0.00 0.00 178.00 179.39 1mx1 n ARG 3313N -4.41 0.17 0.00 1.05 1.74 -1.26 -2.67 116.66 111.29 1mx1 n ARG 3313Ca 0.14 0.48 0.11 0.00 -0.77 0.00 0.00 57.85 57.80 1mx1 n ARG 3313Cb 0.65 -1.88 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 1mx1 n ARG 3313CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1mx1 n GLU 3314N -2.21 0.61 -3.05 5.56 1.02 -0.30 -4.95 120.64 117.32 1mx1 n GLU 3314Ca 0.01 -0.50 -0.40 0.00 -0.02 0.00 0.00 57.16 56.26 1mx1 n GLU 3314Cb 0.17 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 1mx1 n GLU 3314CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1mx1 s SER 3315N -2.74 7.07 -0.43 1.62 1.04 -1.09 -5.03 113.70 114.14 1mx1 s SER 3315Ca 0.13 1.28 0.04 0.00 0.48 0.00 0.00 55.95 57.88 1mx1 s SER 3315Cb 0.17 -2.42 0.12 0.00 0.10 0.00 0.00 66.02 63.98 1mx1 s SER 3315CO 0.72 -0.03 0.16 -1.58 0.98 0.00 0.00 173.24 173.49 1mx1 s GLN 3316N 0.29 1.74 0.33 4.02 2.00 -1.26 -4.73 119.66 122.05 1mx1 s GLN 3316Ca 0.37 -2.26 0.26 0.00 -2.00 0.00 0.00 55.36 51.73 1mx1 s GLN 3316Cb -0.19 -3.27 1.11 0.00 0.80 0.00 0.00 33.01 31.47 1mx1 s GLN 3316CO 0.20 -1.03 1.78 -1.00 -0.50 0.00 0.00 175.29 174.74 1mx1 h PRO 3317N 7.05 0.00 -3.57 1.67 0.13 -1.89 -3.45 132.00 131.93 1mx1 h PRO 3317Ca -0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 1mx1 h PRO 3317Cb 0.95 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.94 1mx1 h PRO 3317CO 0.61 0.00 -0.28 -0.51 -0.23 0.00 0.00 178.00 177.59 1mx1 s LEU 3318N -4.84 1.06 -0.17 1.56 1.43 -1.26 0.78 118.68 117.24 1mx1 s LEU 3318Ca 0.03 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1mx1 s LEU 3318Cb 0.09 1.28 -0.03 0.00 0.03 0.00 0.00 46.19 47.56 1mx1 s LEU 3318CO 0.40 -0.71 -0.02 -0.76 0.23 0.00 0.00 176.35 175.49 1mx1 s LEU 3319N -2.58 3.29 0.00 1.79 1.43 -1.26 -5.06 118.68 116.28 1mx1 s LEU 3319Ca 0.01 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1mx1 s LEU 3319Cb 0.02 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1mx1 s LEU 3319CO -0.09 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1mx1 n GLY 3320N 3.72 5.07 3.76 -3.19 0.00 -1.26 -4.79 105.19 108.51 1mx1 n GLY 3320Ca -0.17 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1mx1 n GLY 3320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx1 s THR 3321N 0.46 2.46 0.16 2.61 2.01 -0.64 -4.71 115.64 117.99 1mx1 s THR 3321Ca 0.00 0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.41 1mx1 s THR 3321Cb 0.00 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1mx1 s THR 3321CO 0.00 0.04 0.00 0.68 -0.69 0.00 0.00 174.62 174.65 1mx1 s VAL 3322N -1.29 0.63 -0.87 3.82 -7.23 -1.26 -0.05 120.40 114.16 1mx1 s VAL 3322Ca 0.61 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 1mx1 s VAL 3322Cb -0.39 -2.08 0.11 0.00 0.56 0.00 0.00 36.38 34.59 1mx1 s VAL 3322CO 0.49 -0.51 1.10 -0.63 -0.31 0.00 0.00 175.10 175.25 1mx1 s ILE 3323N -3.68 4.60 0.04 -0.62 -1.09 -1.26 -4.74 121.20 114.44 1mx1 s ILE 3323Ca 0.23 -1.27 0.10 0.00 -2.23 0.00 0.00 60.65 57.48 1mx1 s ILE 3323Cb 0.06 -4.77 -0.21 0.00 -1.58 0.00 0.00 42.46 35.96 1mx1 s ILE 3323CO 0.03 -1.51 1.01 -2.24 -1.23 0.00 0.00 174.94 171.00 1mx1 h ASP 3324N 9.05 0.00 0.00 3.58 -0.00 -1.83 -3.49 116.42 123.73 1mx1 h ASP 3324Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1mx1 h ASP 3324Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.36 1mx1 h ASP 3324CO 1.14 0.98 0.00 0.61 -0.00 0.00 0.00 179.24 181.98 1mx1 n GLY 3325N 1.44 0.56 0.85 7.15 0.00 0.03 -4.93 105.19 110.29 1mx1 n GLY 3325Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 1mx1 n GLY 3325CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mx1 n MET 3326N -1.61 0.07 0.05 1.61 2.81 -1.26 -4.79 117.12 114.01 1mx1 n MET 3326Ca 0.00 0.03 -0.10 0.00 -1.81 0.00 0.00 57.70 55.82 1mx1 n MET 3326Cb 0.00 -0.52 -0.07 0.00 -0.71 0.00 0.00 33.22 31.91 1mx1 n MET 3326CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mx1 h LEU 3327N -0.14 -0.18 -8.47 4.03 5.85 -1.95 -3.43 115.31 111.03 1mx1 h LEU 3327Ca 0.00 -0.35 -0.67 0.00 0.84 0.00 0.00 57.88 57.70 1mx1 h LEU 3327Cb 0.14 0.05 -0.30 0.00 0.37 0.00 0.00 40.66 40.92 1mx1 h LEU 3327CO 0.00 0.39 -0.82 -0.76 -0.34 0.00 0.00 178.44 176.90 1mx1 s LEU 3328N -8.94 2.39 0.12 2.25 1.43 -1.26 -4.15 118.68 110.52 1mx1 s LEU 3328Ca -0.12 -0.45 0.22 0.00 -1.03 0.00 0.00 54.13 52.75 1mx1 s LEU 3328Cb 0.00 -1.51 -0.12 0.00 0.03 0.00 0.00 46.19 44.59 1mx1 s LEU 3328CO 0.45 0.16 0.84 0.18 0.23 0.00 0.00 176.35 178.21 1mx1 n LEU 3329N 3.55 0.57 -3.93 1.79 4.77 -1.26 -0.79 117.00 121.69 1mx1 n LEU 3329Ca -0.19 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1mx1 n LEU 3329Cb 0.53 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1mx1 n LEU 3329CO 0.29 -0.10 0.34 -1.59 -1.33 0.00 0.00 177.39 175.00 1mx1 s LYS 3330N -3.38 1.74 0.78 3.23 -2.85 -1.26 -4.82 119.74 113.18 1mx1 s LYS 3330Ca -0.03 -1.19 -0.14 0.00 -1.00 0.00 0.00 55.97 53.61 1mx1 s LYS 3330Cb 0.11 0.54 0.07 0.00 -2.06 0.00 0.00 37.83 36.49 1mx1 s LYS 3330CO 0.83 -0.77 1.20 0.95 0.10 0.00 0.00 175.35 177.66 1mx1 s THR 3331N -3.74 2.23 0.23 3.79 -4.23 -1.26 -4.74 115.64 107.92 1mx1 s THR 3331Ca 0.17 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.73 1mx1 s THR 3331Cb -0.03 -2.56 0.19 0.00 1.34 0.00 0.00 72.50 71.44 1mx1 s THR 3331CO 0.09 -0.07 1.75 -0.65 -0.54 0.00 0.00 174.62 175.20 1mx1 h PRO 3332N -0.70 0.46 -0.96 3.99 0.11 -1.99 -1.17 132.00 131.74 1mx1 h PRO 3332Ca -0.46 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1mx1 h PRO 3332Cb 1.29 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 1mx1 h PRO 3332CO 0.48 0.31 0.61 0.93 -0.21 0.00 0.00 178.00 180.11 1mx1 h GLU 3333N 0.48 1.04 -0.27 1.05 3.07 -1.93 0.14 114.58 118.16 1mx1 h GLU 3333Ca 0.37 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.99 1mx1 h GLU 3333Cb 0.50 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1mx1 h GLU 3333CO -0.34 0.69 -0.54 0.93 -1.40 0.00 0.00 179.01 178.35 1mx1 h GLU 3334N 1.07 0.81 -0.02 2.33 5.08 -1.64 -2.60 114.58 119.62 1mx1 h GLU 3334Ca 0.43 -0.51 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1mx1 h GLU 3334Cb 0.25 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1mx1 h GLU 3334CO -0.20 1.14 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.40 1mx1 h LEU 3335N 0.63 0.05 -0.07 1.33 3.38 -0.39 -2.18 115.31 118.06 1mx1 h LEU 3335Ca 0.02 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1mx1 h LEU 3335Cb 1.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1mx1 h LEU 3335CO 0.12 0.53 -0.26 1.56 0.09 0.00 0.00 178.44 180.47 1mx1 h GLN 3336N 0.04 0.31 -0.81 1.13 4.20 -0.71 -2.43 115.11 116.83 1mx1 h GLN 3336Ca -0.00 -0.23 0.05 0.00 0.06 0.00 0.00 58.65 58.53 1mx1 h GLN 3336Cb 0.87 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.64 1mx1 h GLN 3336CO 0.07 0.86 0.50 0.00 -0.67 0.00 0.00 178.83 179.59 1mx1 h ALA 3337N 0.44 1.10 0.00 3.87 0.00 -1.41 -0.35 119.26 122.92 1mx1 h ALA 3337Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mx1 h ALA 3337Cb 0.90 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1mx1 h ALA 3337CO 0.06 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.95 1mx1 n GLU 3338N -4.64 0.15 -2.34 0.00 1.02 -0.83 -4.85 120.64 109.15 1mx1 n GLU 3338Ca 0.11 0.41 -0.21 0.00 -0.02 0.00 0.00 57.16 57.45 1mx1 n GLU 3338Cb 0.15 -1.79 -0.02 0.00 -0.02 0.00 0.00 31.44 29.76 1mx1 n GLU 3338CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1mx1 n ARG 3339N -2.07 -1.68 -3.31 3.49 3.00 -0.14 -4.92 116.66 111.03 1mx1 n ARG 3339Ca 0.02 1.02 -0.47 0.00 -0.01 0.00 0.00 57.85 58.42 1mx1 n ARG 3339Cb 0.20 -5.67 -0.03 0.00 0.00 0.00 0.00 32.46 26.96 1mx1 n ARG 3339CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1mx1 s ASN 3340N -2.10 6.59 -0.03 0.55 2.47 -0.95 -4.98 114.94 116.49 1mx1 s ASN 3340Ca 0.00 -2.41 -0.30 0.00 0.42 0.00 0.00 52.86 50.57 1mx1 s ASN 3340Cb 0.00 -2.22 0.11 0.00 -1.45 0.00 0.00 41.25 37.70 1mx1 s ASN 3340CO 0.00 -0.67 1.31 0.72 -3.72 0.00 0.00 177.10 174.74 1mx1 s PHE 3341N 0.66 -0.01 -0.19 0.43 -0.12 -1.26 -4.82 117.98 112.68 1mx1 s PHE 3341Ca 0.14 -0.09 -0.29 0.00 -0.05 0.00 0.00 56.93 56.64 1mx1 s PHE 3341Cb -0.16 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1mx1 s PHE 3341CO -0.05 -0.23 1.50 -1.01 -0.05 0.00 0.00 175.22 175.38 1mx1 s HIS 3342N -2.19 2.32 -0.77 3.49 3.76 -0.89 -4.91 115.29 116.10 1mx1 s HIS 3342Ca 0.21 0.61 -0.05 0.00 -0.15 0.00 0.00 55.06 55.68 1mx1 s HIS 3342Cb 0.03 -3.86 0.03 0.00 1.11 0.00 0.00 32.58 29.89 1mx1 s HIS 3342CO -0.03 -2.69 2.77 0.25 -0.85 0.00 0.00 174.74 174.19 1mx1 n THR 3343N 5.97 3.99 -2.84 1.30 -2.24 -1.26 -4.94 114.28 114.26 1mx1 n THR 3343Ca 0.17 -3.21 -0.27 0.00 -2.27 0.00 0.00 64.05 58.47 1mx1 n THR 3343Cb 0.45 -1.88 -0.01 0.00 -2.10 0.00 0.00 70.33 66.79 1mx1 n THR 3343CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1mx1 s VAL 3344N -1.14 4.95 0.30 2.28 -7.23 -1.26 -4.75 120.40 113.55 1mx1 s VAL 3344Ca 0.59 0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.55 1mx1 s VAL 3344Cb 0.30 -3.85 -0.12 0.00 0.56 0.00 0.00 36.38 33.26 1mx1 s VAL 3344CO -0.14 -0.74 1.41 -2.65 -0.31 0.00 0.00 175.10 172.66 1mx1 n PRO 3345N -2.04 2.24 -4.01 4.82 -0.02 -1.26 -4.61 135.00 130.12 1mx1 n PRO 3345Ca -0.01 0.79 -0.21 0.00 -2.02 0.00 0.00 63.50 62.05 1mx1 n PRO 3345Cb 0.55 -2.45 -0.17 0.00 -0.02 0.00 0.00 33.50 31.42 1mx1 n PRO 3345CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1mx1 s TYR 3346N -0.50 0.73 -0.21 6.00 6.04 -0.26 -1.58 117.35 127.58 1mx1 s TYR 3346Ca 0.62 -0.21 -0.05 0.00 0.04 0.00 0.00 57.07 57.47 1mx1 s TYR 3346Cb -0.58 -0.72 -0.02 0.00 -1.04 0.00 0.00 41.96 39.60 1mx1 s TYR 3346CO 0.55 -0.25 -0.01 1.41 -1.54 0.00 0.00 175.55 175.71 1mx1 s MET 3347N 1.30 3.53 -0.12 4.97 -2.45 0.02 -1.27 119.30 125.28 1mx1 s MET 3347Ca -0.05 -0.56 0.02 0.00 -1.25 0.00 0.00 55.69 53.84 1mx1 s MET 3347Cb -0.14 -3.05 0.02 0.00 1.25 0.00 0.00 34.83 32.91 1mx1 s MET 3347CO -0.02 -0.06 -0.16 0.08 1.05 0.00 0.00 175.02 175.90 1mx1 s VAL 3348N 1.18 1.61 0.16 10.11 1.01 0.65 -0.75 120.40 134.38 1mx1 s VAL 3348Ca 0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1mx1 s VAL 3348Cb -0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1mx1 s VAL 3348CO 0.01 0.46 0.07 -0.83 0.00 0.00 0.00 175.10 174.81 1mx1 s GLY 3349N 1.07 1.17 0.15 4.51 0.00 -0.69 -2.81 107.32 110.72 1mx1 s GLY 3349Ca -0.04 -1.56 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 1mx1 s GLY 3349CO -0.04 -1.40 0.07 -0.26 0.00 0.00 0.00 173.10 171.47 1mx1 s ILE 3350N -4.02 0.12 0.19 0.90 -4.36 -0.90 -1.03 121.20 112.10 1mx1 s ILE 3350Ca 0.29 -1.94 0.05 0.00 -0.26 0.00 0.00 60.65 58.78 1mx1 s ILE 3350Cb 0.07 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 1mx1 s ILE 3350CO 0.05 -0.34 0.22 0.20 0.24 0.00 0.00 174.94 175.31 1mx1 s ASN 3351N -3.09 5.84 0.18 4.36 0.02 -1.26 -0.74 114.94 120.26 1mx1 s ASN 3351Ca 0.28 -0.05 -0.14 0.00 -1.02 0.00 0.00 52.86 51.94 1mx1 s ASN 3351Cb 0.07 -1.61 0.17 0.00 0.02 0.00 0.00 41.25 39.91 1mx1 s ASN 3351CO 0.05 0.02 1.70 0.50 0.02 0.00 0.00 177.10 179.39 1mx1 h LYS 3352N 1.99 0.16 -2.17 -0.60 1.63 -0.58 -3.30 116.57 113.70 1mx1 h LYS 3352Ca -0.49 -0.01 -0.59 0.00 -0.85 0.00 0.00 60.65 58.71 1mx1 h LYS 3352Cb 1.21 -0.04 -0.42 0.00 -0.60 0.00 0.00 32.23 32.39 1mx1 h LYS 3352CO 0.64 0.11 -0.68 1.04 -3.45 0.00 0.00 179.45 177.10 1mx1 n GLN 3353N -5.17 2.32 -0.21 1.90 6.02 0.61 -4.94 117.38 117.91 1mx1 n GLN 3353Ca 0.05 -4.47 0.26 0.00 -0.01 0.00 0.00 57.00 52.83 1mx1 n GLN 3353Cb 0.25 -2.10 0.65 0.00 1.02 0.00 0.00 30.24 30.06 1mx1 n GLN 3353CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mx1 h GLU 3354N 4.00 0.13 -0.55 -1.09 4.39 -1.69 0.18 114.58 119.95 1mx1 h GLU 3354Ca 0.17 -0.01 -0.35 0.00 0.34 0.00 0.00 59.36 59.51 1mx1 h GLU 3354Cb 0.68 -0.03 -0.22 0.00 -0.10 0.00 0.00 28.75 29.08 1mx1 h GLU 3354CO 0.78 0.09 -0.13 0.34 -1.16 0.00 0.00 179.01 178.92 1mx1 n PHE 3355N -4.36 1.84 0.07 4.33 -0.00 -1.26 -3.89 117.46 114.18 1mx1 n PHE 3355Ca 0.19 -1.98 -0.06 0.00 -0.00 0.00 0.00 57.45 55.60 1mx1 n PHE 3355Cb 0.89 -0.60 0.09 0.00 -0.00 0.00 0.00 39.48 39.86 1mx1 n PHE 3355CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1mx1 h GLY 3356N 1.44 0.31 0.00 7.13 0.00 -0.97 -3.44 103.07 107.54 1mx1 h GLY 3356Ca 0.32 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1mx1 h GLY 3356CO 0.66 0.37 0.00 1.87 0.00 0.00 0.00 176.54 179.44 1mx1 n TRP 3357N -3.85 -3.62 -0.08 5.60 -0.00 -1.26 -4.99 117.44 109.24 1mx1 n TRP 3357Ca -0.03 0.93 -0.09 0.00 -0.00 0.00 0.00 57.50 58.31 1mx1 n TRP 3357Cb 0.65 2.49 -0.02 0.00 -0.00 0.00 0.00 31.31 34.42 1mx1 n TRP 3357CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1mx1 h LEU 3358N 0.00 -1.05 -0.16 5.87 5.85 -1.91 0.49 115.31 124.39 1mx1 h LEU 3358Ca 0.00 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1mx1 h LEU 3358Cb 0.00 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1mx1 h LEU 3358CO 0.00 -0.33 -0.03 0.40 -0.34 0.00 0.00 178.44 178.14 1mx1 h ILE 3359N -0.29 1.28 -0.67 4.05 2.04 -1.92 -0.31 117.51 121.68 1mx1 h ILE 3359Ca 0.15 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.06 1mx1 h ILE 3359Cb 0.54 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1mx1 h ILE 3359CO -0.48 0.29 0.44 -0.65 0.00 0.00 0.00 178.15 177.75 1mx1 h PRO 3360N 0.02 0.82 0.02 2.37 0.11 -1.82 -1.27 132.00 132.24 1mx1 h PRO 3360Ca 0.04 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1mx1 h PRO 3360Cb 0.46 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1mx1 h PRO 3360CO 0.01 0.54 -0.01 1.98 -0.21 0.00 0.00 178.00 180.31 1mx1 h MET 3361N 0.84 -0.03 0.00 1.05 -1.53 -0.69 0.43 114.93 115.00 1mx1 h MET 3361Ca 0.26 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.52 1mx1 h MET 3361Cb 0.01 0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.07 1mx1 h MET 3361CO -0.07 0.27 -0.01 -0.07 0.14 0.00 0.00 176.91 177.18 1mx1 h LEU 3363N -0.33 0.00 -2.19 3.39 3.38 -0.72 -2.49 115.31 116.35 1mx1 h LEU 3363Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mx1 h LEU 3363Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1mx1 h LEU 3363CO 0.00 0.01 0.00 0.23 0.09 0.00 0.00 178.44 178.77 1mx1 n MET 3364N -3.10 2.43 -3.53 1.13 2.81 -0.51 -4.69 117.12 111.66 1mx1 n MET 3364Ca -0.00 -2.16 -0.25 0.00 -1.81 0.00 0.00 57.70 53.48 1mx1 n MET 3364Cb 0.26 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.32 1mx1 n MET 3364CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1mx1 n SER 3365N 1.36 -6.00 -4.73 7.83 7.64 -0.94 -1.88 113.62 116.90 1mx1 n SER 3365Ca 0.19 -0.52 -0.42 0.00 1.01 0.00 0.00 58.87 59.13 1mx1 n SER 3365Cb 0.57 -4.76 -0.02 0.00 -1.01 0.00 0.00 64.21 58.99 1mx1 n SER 3365CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mx1 s TYR 3366N -3.27 2.83 -1.18 1.43 5.04 0.11 -4.81 117.35 117.50 1mx1 s TYR 3366Ca 0.54 0.55 -0.21 0.00 -2.44 0.00 0.00 57.07 55.51 1mx1 s TYR 3366Cb -0.25 -4.11 -0.06 0.00 0.35 0.00 0.00 41.96 37.90 1mx1 s TYR 3366CO 0.66 -3.98 1.90 -2.30 -1.34 0.00 0.00 175.55 170.49 1mx1 n PRO 3367N 3.12 2.00 -3.37 4.97 -0.02 -1.26 -4.85 135.00 135.60 1mx1 n PRO 3367Ca 0.12 -2.60 -0.12 0.00 -2.02 0.00 0.00 63.50 58.88 1mx1 n PRO 3367Cb 0.36 -3.58 -0.09 0.00 -0.02 0.00 0.00 33.50 30.18 1mx1 n PRO 3367CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mx1 s LEU 3368N 8.12 -0.51 -0.02 2.45 1.43 -1.26 -5.00 118.68 123.89 1mx1 s LEU 3368Ca 0.63 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1mx1 s LEU 3368Cb 0.03 0.88 0.05 0.00 0.03 0.00 0.00 46.19 47.18 1mx1 s LEU 3368CO 0.11 -0.33 0.86 -1.54 0.23 0.00 0.00 176.35 175.69 1mx1 n SER 3369N 5.34 0.87 -4.24 2.29 3.41 -1.26 -5.06 113.62 114.98 1mx1 n SER 3369Ca -0.03 -1.87 -0.30 0.00 -0.26 0.00 0.00 58.87 56.41 1mx1 n SER 3369Cb 0.49 -0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 64.14 1mx1 n SER 3369CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1mx1 s GLU 3370N -0.75 2.25 0.00 4.33 0.41 -1.26 -5.00 118.70 118.69 1mx1 s GLU 3370Ca 0.06 -0.83 0.17 0.00 -0.41 0.00 0.00 54.97 53.96 1mx1 s GLU 3370Cb 0.05 -1.97 0.88 0.00 -1.78 0.00 0.00 34.13 31.32 1mx1 s GLU 3370CO 0.01 0.38 1.47 0.41 -0.49 0.00 0.00 175.26 177.04 1mx1 n GLY 3371N 2.90 -0.77 3.31 -1.39 0.00 -1.26 -4.68 105.19 103.30 1mx1 n GLY 3371Ca -0.17 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 1mx1 n GLY 3371CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mx1 s GLN 3372N -2.44 1.21 -0.19 1.61 -0.21 -1.26 -3.83 119.66 114.56 1mx1 s GLN 3372Ca 0.18 -1.20 -0.09 0.00 0.02 0.00 0.00 55.36 54.28 1mx1 s GLN 3372Cb 0.11 -1.53 0.07 0.00 1.00 0.00 0.00 33.01 32.67 1mx1 s GLN 3372CO 0.24 0.36 0.42 -1.17 -2.12 0.00 0.00 175.29 173.02 1mx1 s LEU 3373N -1.90 -0.35 0.34 2.90 2.96 0.26 -4.93 118.68 117.96 1mx1 s LEU 3373Ca 0.08 0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 54.88 1mx1 s LEU 3373Cb -0.10 1.39 -0.06 0.00 0.50 0.00 0.00 46.19 47.92 1mx1 s LEU 3373CO 0.05 -0.21 0.65 1.51 -1.32 0.00 0.00 176.35 177.02 1mx1 s ASP 3374N 1.91 6.48 0.38 3.68 -4.77 -1.26 -4.48 116.67 118.61 1mx1 s ASP 3374Ca -0.06 0.89 0.07 0.00 -3.30 0.00 0.00 52.55 50.15 1mx1 s ASP 3374Cb -0.10 -2.22 0.81 0.00 -1.09 0.00 0.00 42.92 40.32 1mx1 s ASP 3374CO -0.13 -0.29 1.99 1.56 0.70 0.00 0.00 175.17 179.00 1mx1 h GLN 3375N 1.48 0.64 -0.48 2.11 4.20 -1.98 0.09 115.11 121.17 1mx1 h GLN 3375Ca -0.47 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.19 1mx1 h GLN 3375Cb 1.19 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 1mx1 h GLN 3375CO 0.65 0.42 0.29 -0.22 -0.67 0.00 0.00 178.83 179.31 1mx1 h LYS 3376N 0.66 0.66 -0.41 1.46 3.64 -1.99 0.21 116.57 120.80 1mx1 h LYS 3376Ca 0.26 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.45 1mx1 h LYS 3376Cb 0.20 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1mx1 h LYS 3376CO -0.08 0.48 -0.26 1.15 -2.27 0.00 0.00 179.45 178.48 1mx1 h THR 3377N 0.65 1.28 -0.69 1.00 2.02 -1.81 -2.67 112.91 112.69 1mx1 h THR 3377Ca 0.17 -1.42 0.04 0.00 0.77 0.00 0.00 66.41 65.98 1mx1 h THR 3377Cb -0.01 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1mx1 h THR 3377CO -0.03 0.48 0.41 0.00 0.37 0.00 0.00 175.52 176.74 1mx1 h ALA 3378N 0.81 0.91 -0.42 6.16 0.00 -0.48 -0.30 119.26 125.93 1mx1 h ALA 3378Ca 0.08 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1mx1 h ALA 3378Cb 0.84 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1mx1 h ALA 3378CO 0.07 0.14 0.06 0.52 0.00 0.00 0.00 179.25 180.04 1mx1 h MET 3379N 0.78 0.64 -0.24 0.00 2.07 -0.41 0.35 114.93 118.12 1mx1 h MET 3379Ca 0.29 -0.13 -0.10 0.00 -2.07 0.00 0.00 59.70 57.69 1mx1 h MET 3379Cb 0.10 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1mx1 h MET 3379CO -0.14 0.62 -0.25 0.77 1.07 0.00 0.00 176.91 178.98 1mx1 h SER 3380N 0.62 0.64 -0.37 1.22 0.02 -1.01 -2.24 113.55 112.43 1mx1 h SER 3380Ca 0.14 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1mx1 h SER 3380Cb 0.31 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1mx1 h SER 3380CO 0.00 0.99 0.21 -0.07 -1.14 0.00 0.00 176.83 176.82 1mx1 h LEU 3381N 0.31 0.47 -1.09 5.07 3.38 -0.72 -1.39 115.31 121.34 1mx1 h LEU 3381Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1mx1 h LEU 3381Cb 0.81 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1mx1 h LEU 3381CO 0.06 0.42 0.58 0.25 0.09 0.00 0.00 178.44 179.84 1mx1 h LEU 3382N 0.48 1.04 -0.69 1.67 5.85 -0.92 0.20 115.31 122.94 1mx1 h LEU 3382Ca 0.13 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1mx1 h LEU 3382Cb 0.06 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1mx1 h LEU 3382CO -0.02 0.77 0.04 -0.25 -0.34 0.00 0.00 178.44 178.64 1mx1 h TRP 3383N 1.22 1.13 0.00 1.25 -0.00 -1.08 -1.65 115.95 116.83 1mx1 h TRP 3383Ca 0.33 -0.18 -0.05 0.00 -0.00 0.00 0.00 58.89 58.99 1mx1 h TRP 3383Cb -0.11 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 28.74 1mx1 h TRP 3383CO 0.00 0.98 -0.23 0.87 -0.00 0.00 0.00 178.44 180.06 1mx1 h LYS 3384N 0.97 0.00 -0.00 2.65 1.79 -0.07 -2.13 116.57 119.77 1mx1 h LYS 3384Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1mx1 h LYS 3384Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1mx1 h LYS 3384CO 0.02 0.23 0.00 0.43 -1.08 0.00 0.00 179.45 179.06 1mx1 n SER 3385N -4.11 0.01 -0.35 0.86 7.64 0.57 -4.44 113.62 113.80 1mx1 n SER 3385Ca -0.02 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.32 1mx1 n SER 3385Cb 0.30 -0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.56 1mx1 n SER 3385CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mx1 n TYR 3386N -0.72 0.09 0.07 1.43 9.36 -0.80 0.48 117.16 127.06 1mx1 n TYR 3386Ca 0.11 1.14 0.19 0.00 3.32 0.00 0.00 57.90 62.66 1mx1 n TYR 3386Cb 0.05 -0.89 0.72 0.00 -0.63 0.00 0.00 39.34 38.60 1mx1 n TYR 3386CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1mx1 h PRO 3387N 0.00 0.00 0.03 2.98 0.13 -1.78 1.11 132.00 134.48 1mx1 h PRO 3387Ca 0.35 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.19 1mx1 h PRO 3387Cb 0.58 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 1mx1 h PRO 3387CO -0.93 0.00 -1.61 -0.07 -0.23 0.00 0.00 178.00 175.16 1mx1 h LEU 3388N 0.00 0.11 0.00 1.56 3.38 -0.32 -3.40 115.31 116.64 1mx1 h LEU 3388Ca 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1mx1 h LEU 3388Cb 0.86 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1mx1 h LEU 3388CO -0.00 1.18 -1.14 1.33 0.09 0.00 0.00 178.44 179.90 1mx1 n VAL 3389N -3.21 0.04 -3.60 1.22 0.24 -0.42 -4.56 118.33 108.04 1mx1 n VAL 3389Ca -0.16 -0.07 -0.21 0.00 -2.04 0.00 0.00 64.34 61.86 1mx1 n VAL 3389Cb 1.03 0.15 0.06 0.00 -1.47 0.00 0.00 33.84 33.61 1mx1 n VAL 3389CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mx1 s ILE 3391N -3.49 4.23 0.48 0.00 1.01 -1.26 -5.07 121.20 117.11 1mx1 s ILE 3391Ca 0.11 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 1mx1 s ILE 3391Cb -0.05 -3.29 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 1mx1 s ILE 3391CO 0.77 -0.09 0.71 0.00 0.00 0.00 0.00 174.94 176.34 1mx1 n ALA 3392N 4.92 -0.75 -0.25 9.38 0.00 -1.26 -4.73 120.51 127.81 1mx1 n ALA 3392Ca -0.13 0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1mx1 n ALA 3392Cb 0.47 -1.91 0.27 0.00 0.00 0.00 0.00 19.45 18.28 1mx1 n ALA 3392CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1mx1 h LYS 3393N 0.80 0.92 0.00 0.00 3.64 -1.97 -0.52 116.57 119.43 1mx1 h LYS 3393Ca -0.44 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1mx1 h LYS 3393Cb 1.38 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1mx1 h LYS 3393CO 0.51 0.61 0.00 1.05 -2.27 0.00 0.00 179.45 179.36 1mx1 h GLU 3394N 0.95 0.00 -0.00 1.90 9.09 -2.05 -2.41 114.58 122.06 1mx1 h GLU 3394Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 1mx1 h GLU 3394Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1mx1 h GLU 3394CO -0.11 0.00 -0.81 1.28 0.05 0.00 0.00 179.01 179.42 1mx1 n LEU 3395N -2.94 1.01 -0.16 3.06 4.77 -0.24 -4.46 117.00 118.03 1mx1 n LEU 3395Ca -0.00 -0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 55.54 1mx1 n LEU 3395Cb 0.21 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1mx1 n LEU 3395CO 0.23 0.24 0.95 0.40 -1.33 0.00 0.00 177.39 177.88 1mx1 h ILE 3396N 0.31 0.80 -0.27 -0.08 1.08 -1.03 -2.45 117.51 115.87 1mx1 h ILE 3396Ca 0.00 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1mx1 h ILE 3396Cb 0.53 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 1mx1 h ILE 3396CO 0.00 0.06 -0.02 -0.65 -0.69 0.00 0.00 178.15 176.85 1mx1 h PRO 3397N 0.33 0.06 -0.51 2.37 0.11 -1.78 -0.19 132.00 132.39 1mx1 h PRO 3397Ca 0.25 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1mx1 h PRO 3397Cb 0.28 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1mx1 h PRO 3397CO -0.26 0.04 0.31 0.93 -0.21 0.00 0.00 178.00 178.80 1mx1 h GLU 3398N 0.06 0.68 -0.40 1.05 5.08 -1.81 0.13 114.58 119.38 1mx1 h GLU 3398Ca 0.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1mx1 h GLU 3398Cb 0.18 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1mx1 h GLU 3398CO -0.24 0.49 0.18 0.00 -1.00 0.00 0.00 179.01 178.44 1mx1 h ALA 3399N 1.15 0.52 -0.16 3.43 0.00 -1.16 -1.31 119.26 121.73 1mx1 h ALA 3399Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1mx1 h ALA 3399Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1mx1 h ALA 3399CO -0.03 0.11 0.00 1.15 0.00 0.00 0.00 179.25 180.47 1mx1 h THR 3400N 0.51 1.25 -0.60 0.00 2.02 -0.83 -2.81 112.91 112.45 1mx1 h THR 3400Ca 0.14 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1mx1 h THR 3400Cb 0.15 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1mx1 h THR 3400CO -0.01 0.25 0.36 -0.08 0.37 0.00 0.00 175.52 176.40 1mx1 h GLU 3401N 0.04 0.81 -0.40 6.66 4.57 -0.67 0.14 114.58 125.73 1mx1 h GLU 3401Ca 0.05 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 1mx1 h GLU 3401Cb 0.37 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1mx1 h GLU 3401CO 0.01 0.57 -0.08 -0.22 -1.18 0.00 0.00 179.01 178.10 1mx1 h LYS 3402N 0.82 0.69 0.07 1.92 1.63 -1.11 -1.83 116.57 118.76 1mx1 h LYS 3402Ca 0.22 -0.21 -0.37 0.00 -0.85 0.00 0.00 60.65 59.44 1mx1 h LYS 3402Cb -0.03 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 1mx1 h LYS 3402CO -0.04 0.77 -2.13 0.66 -3.45 0.00 0.00 179.45 175.26 1mx1 n TYR 3403N -4.19 0.83 -0.11 1.91 4.02 -0.97 -4.70 117.16 113.95 1mx1 n TYR 3403Ca 0.01 0.19 -0.14 0.00 -0.01 0.00 0.00 57.90 57.95 1mx1 n TYR 3403Cb 0.33 -1.11 -0.14 0.00 -0.02 0.00 0.00 39.34 38.40 1mx1 n TYR 3403CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1mx1 n LEU 3404N -3.35 1.38 0.04 7.72 4.77 0.46 -4.53 117.00 123.50 1mx1 n LEU 3404Ca -0.35 -0.05 0.02 0.00 -0.03 0.00 0.00 56.01 55.61 1mx1 n LEU 3404Cb 1.04 -0.16 0.11 0.00 -2.33 0.00 0.00 43.42 42.08 1mx1 n LEU 3404CO 0.38 0.70 0.58 0.61 -1.33 0.00 0.00 177.39 178.33 1mx1 n GLY 3405N 1.97 -0.44 0.21 -0.72 0.00 -0.69 -2.26 105.19 103.27 1mx1 n GLY 3405Ca -0.38 0.04 0.14 0.00 0.00 0.00 0.00 46.02 45.81 1mx1 n GLY 3405CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mx1 h GLY 3406N 0.00 0.00 -3.06 -0.02 0.00 -1.80 -3.46 103.07 94.73 1mx1 h GLY 3406Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1mx1 h GLY 3406CO 0.00 0.00 -0.63 -0.51 0.00 0.00 0.00 176.54 175.40 1mx1 s THR 3407N -3.37 0.16 -0.26 4.70 -4.23 -0.96 -5.04 115.64 106.64 1mx1 s THR 3407Ca 0.05 -1.79 0.21 0.00 -1.18 0.00 0.00 61.69 58.98 1mx1 s THR 3407Cb 0.08 -1.74 -0.30 0.00 1.34 0.00 0.00 72.50 71.88 1mx1 s THR 3407CO 0.57 -0.72 0.56 0.47 -0.54 0.00 0.00 174.62 174.96 1mx1 n ASP 3408N -0.00 0.39 -4.59 3.99 8.00 -1.26 -4.87 116.55 118.21 1mx1 n ASP 3408Ca -0.10 -0.24 -0.41 0.00 0.71 0.00 0.00 54.79 54.75 1mx1 n ASP 3408Cb 0.62 1.72 -0.03 0.00 -0.02 0.00 0.00 41.12 43.42 1mx1 n ASP 3408CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mx1 s ASP 3409N -4.05 5.30 0.11 -2.24 -1.08 -1.26 -4.79 116.67 108.67 1mx1 s ASP 3409Ca -0.04 1.58 0.19 0.00 -0.52 0.00 0.00 52.55 53.76 1mx1 s ASP 3409Cb 0.14 -2.51 0.80 0.00 -1.46 0.00 0.00 42.92 39.89 1mx1 s ASP 3409CO 0.86 -2.13 1.60 0.35 0.52 0.00 0.00 175.17 176.37 1mx1 n THR 3410N 7.74 0.87 0.08 1.71 -2.24 -1.26 -1.53 114.28 119.65 1mx1 n THR 3410Ca 0.30 0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 62.08 1mx1 n THR 3410Cb 0.47 -1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 67.52 1mx1 n THR 3410CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1mx1 h VAL 3411N 0.00 1.44 0.00 2.28 2.07 -1.87 0.79 116.25 120.96 1mx1 h VAL 3411Ca 0.00 -2.59 -0.06 0.00 0.82 0.00 0.00 66.70 64.88 1mx1 h VAL 3411Cb 0.32 3.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1mx1 h VAL 3411CO 0.00 0.75 -0.27 0.50 0.02 0.00 0.00 177.57 178.57 1mx1 h LYS 3412N -0.21 0.00 -0.35 1.57 3.64 -1.71 -3.07 116.57 116.44 1mx1 h LYS 3412Ca -0.18 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 1mx1 h LYS 3412Cb 1.81 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 1mx1 h LYS 3412CO 0.19 0.27 -0.09 0.87 -2.27 0.00 0.00 179.45 178.42 1mx1 h LYS 3413N 0.00 0.67 -0.30 1.90 1.57 -1.28 -1.37 116.57 117.76 1mx1 h LYS 3413Ca -0.00 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1mx1 h LYS 3413Cb 0.73 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1mx1 h LYS 3413CO 0.04 0.84 -0.18 1.57 -0.57 0.00 0.00 179.45 181.15 1mx1 h LYS 3414N 0.46 0.55 -0.69 3.15 5.09 -1.47 0.96 116.57 124.61 1mx1 h LYS 3414Ca 0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 60.65 60.60 1mx1 h LYS 3414Cb 0.59 -0.05 -0.03 0.00 0.10 0.00 0.00 32.23 32.85 1mx1 h LYS 3414CO 0.04 0.70 0.26 -0.44 -2.09 0.00 0.00 179.45 177.92 1mx1 h ASP 3415N 0.49 0.97 0.74 7.07 3.45 -1.43 -1.72 116.42 125.99 1mx1 h ASP 3415Ca 0.08 -0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.29 1mx1 h ASP 3415Cb 0.59 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1mx1 h ASP 3415CO 0.04 0.89 -0.36 -0.07 -1.57 0.00 0.00 179.24 178.16 1mx1 h LEU 3416N 0.99 0.00 -0.31 1.55 3.38 -0.67 -2.47 115.31 117.78 1mx1 h LEU 3416Ca 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1mx1 h LEU 3416Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1mx1 h LEU 3416CO -0.02 0.36 -0.05 0.15 0.09 0.00 0.00 178.44 178.98 1mx1 h PHE 3417N 0.00 0.64 -0.50 1.13 3.57 0.01 -1.94 116.94 119.86 1mx1 h PHE 3417Ca -0.00 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 1mx1 h PHE 3417Cb 0.83 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1mx1 h PHE 3417CO 0.00 0.75 0.12 -0.07 -2.23 0.00 0.00 178.31 176.88 1mx1 h LEU 3418N 0.36 0.71 -0.63 0.59 3.38 -1.12 -2.48 115.31 116.11 1mx1 h LEU 3418Ca 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1mx1 h LEU 3418Cb 0.52 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1mx1 h LEU 3418CO 0.03 0.70 0.31 0.44 0.09 0.00 0.00 178.44 180.00 1mx1 h ASP 3419N 0.74 0.82 -0.85 -0.43 3.32 -1.22 -1.21 116.42 117.59 1mx1 h ASP 3419Ca 0.16 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1mx1 h ASP 3419Cb 0.27 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1mx1 h ASP 3419CO -0.00 0.72 0.44 0.25 -1.72 0.00 0.00 179.24 178.92 1mx1 h LEU 3420N 0.87 1.10 0.03 1.55 5.85 -0.92 0.26 115.31 124.05 1mx1 h LEU 3420Ca 0.22 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1mx1 h LEU 3420Cb 0.11 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1mx1 h LEU 3420CO -0.03 0.90 -0.01 0.40 -0.34 0.00 0.00 178.44 179.36 1mx1 h ILE 3421N 1.21 1.19 -0.52 4.05 1.08 -1.20 -2.40 117.51 120.93 1mx1 h ILE 3421Ca 0.30 -0.66 0.07 0.00 -0.39 0.00 0.00 64.86 64.17 1mx1 h ILE 3421Cb 0.08 1.63 -0.06 0.00 -3.07 0.00 0.00 36.82 35.41 1mx1 h ILE 3421CO -0.04 0.17 0.20 0.00 -0.69 0.00 0.00 178.15 177.79 1mx1 h ALA 3422N 0.64 0.65 -0.70 1.87 0.00 -0.83 0.42 119.26 121.31 1mx1 h ALA 3422Ca -0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1mx1 h ALA 3422Cb 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1mx1 h ALA 3422CO 0.01 -0.18 0.20 -0.44 0.00 0.00 0.00 179.25 178.83 1mx1 h ASP 3423N 0.40 1.02 0.25 0.00 3.32 -0.45 0.35 116.42 121.29 1mx1 h ASP 3423Ca 0.25 -0.19 -0.19 0.00 0.02 0.00 0.00 57.03 56.91 1mx1 h ASP 3423Cb 0.25 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1mx1 h ASP 3423CO -0.24 0.95 -0.75 0.58 -1.72 0.00 0.00 179.24 178.07 1mx1 h VAL 3424N 1.04 1.38 0.20 -1.35 2.07 -1.03 0.24 116.25 118.80 1mx1 h VAL 3424Ca 0.22 -2.16 -0.34 0.00 0.82 0.00 0.00 66.70 65.24 1mx1 h VAL 3424Cb 0.32 2.14 0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1mx1 h VAL 3424CO -0.00 0.65 -1.62 0.24 0.02 0.00 0.00 177.57 176.85 1mx1 h MET 3425N 0.28 0.42 0.00 1.57 2.86 -0.74 -3.42 114.93 115.90 1mx1 h MET 3425Ca -0.04 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 1mx1 h MET 3425Cb 1.34 0.27 0.00 0.00 0.06 0.00 0.00 31.60 33.27 1mx1 h MET 3425CO 0.13 1.35 -0.54 1.19 1.06 0.00 0.00 176.91 180.10 1mx1 n PHE 3426N -3.67 -0.18 0.07 -0.22 3.01 0.12 -4.53 117.46 112.05 1mx1 n PHE 3426Ca -0.22 0.03 -0.12 0.00 1.01 0.00 0.00 57.45 58.14 1mx1 n PHE 3426Cb 1.06 0.11 -0.08 0.00 -0.01 0.00 0.00 39.48 40.57 1mx1 n PHE 3426CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1mx1 h GLY 3427N 0.00 -1.19 0.89 1.37 0.00 -1.37 -1.34 103.07 101.43 1mx1 h GLY 3427Ca 0.00 0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 1mx1 h GLY 3427CO 0.00 -0.31 -0.02 -2.08 0.00 0.00 0.00 176.54 174.13 1mx1 h VAL 3428N -0.55 1.05 -1.00 4.60 2.07 -0.78 -2.59 116.25 119.04 1mx1 h VAL 3428Ca -0.00 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1mx1 h VAL 3428Cb 0.57 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1mx1 h VAL 3428CO -0.23 0.07 0.64 -0.65 0.02 0.00 0.00 177.57 177.41 1mx1 h PRO 3429N -0.17 1.02 -0.30 1.57 0.11 -1.73 -0.99 132.00 131.51 1mx1 h PRO 3429Ca -0.01 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 1mx1 h PRO 3429Cb 0.15 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1mx1 h PRO 3429CO 0.01 0.68 0.06 0.77 -0.21 0.00 0.00 178.00 179.31 1mx1 h SER 3430N 1.05 0.46 -0.50 -2.05 0.02 -1.12 -1.54 113.55 109.87 1mx1 h SER 3430Ca 0.48 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1mx1 h SER 3430Cb 0.39 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1mx1 h SER 3430CO -0.23 0.59 0.09 0.58 -1.14 0.00 0.00 176.83 176.71 1mx1 h VAL 3431N 0.32 1.25 -1.00 2.27 2.07 -1.05 0.70 116.25 120.81 1mx1 h VAL 3431Ca 0.09 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1mx1 h VAL 3431Cb 0.31 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1mx1 h VAL 3431CO 0.00 0.33 0.67 0.40 0.02 0.00 0.00 177.57 178.98 1mx1 h ILE 3432N 0.70 1.25 -0.37 4.57 2.04 -1.11 0.23 117.51 124.82 1mx1 h ILE 3432Ca 0.15 -0.46 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 1mx1 h ILE 3432Cb 0.38 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1mx1 h ILE 3432CO 0.01 0.25 -0.33 0.58 0.00 0.00 0.00 178.15 178.66 1mx1 h VAL 3433N 1.35 1.28 -0.30 1.67 2.07 -0.93 -1.47 116.25 119.92 1mx1 h VAL 3433Ca 0.37 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1mx1 h VAL 3433Cb -0.15 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1mx1 h VAL 3433CO -0.08 0.49 0.10 0.00 0.02 0.00 0.00 177.57 178.10 1mx1 h ALA 3434N 0.93 0.39 -0.23 1.67 0.00 -0.12 -1.62 119.26 120.28 1mx1 h ALA 3434Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1mx1 h ALA 3434Cb 0.88 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1mx1 h ALA 3434CO 0.08 0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.49 1mx1 h ARG 3435N 0.33 0.28 -0.54 0.00 3.08 -0.43 -0.26 114.38 116.84 1mx1 h ARG 3435Ca 0.10 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1mx1 h ARG 3435Cb 0.23 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1mx1 h ARG 3435CO -0.00 0.18 0.16 -0.91 -1.07 0.00 0.00 179.97 178.33 1mx1 h ASN 3436N 0.28 0.75 -0.30 7.04 4.21 -1.21 0.21 115.58 126.58 1mx1 h ASN 3436Ca 0.09 -0.12 -0.07 0.00 1.21 0.00 0.00 56.30 57.41 1mx1 h ASN 3436Cb -0.01 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 36.99 1mx1 h ASN 3436CO -0.04 0.72 -0.08 -0.74 -1.29 0.00 0.00 177.43 176.00 1mx1 h HIS 3437N 0.79 0.65 0.29 1.19 2.76 -0.93 -2.11 115.15 117.80 1mx1 h HIS 3437Ca 0.18 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1mx1 h HIS 3437Cb 0.25 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1mx1 h HIS 3437CO 0.01 0.78 -0.16 -0.09 -1.30 0.00 0.00 177.93 177.17 1mx1 h ARG 3438N 0.34 -0.41 0.00 5.26 2.43 -0.77 -2.13 114.38 119.10 1mx1 h ARG 3438Ca 0.07 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1mx1 h ARG 3438Cb 0.58 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1mx1 h ARG 3438CO 0.03 -0.28 0.00 -0.25 -1.51 0.00 0.00 179.97 177.97 1mx1 n ASP 3439N -5.29 0.12 -0.23 -3.80 8.00 0.04 -0.09 116.55 115.31 1mx1 n ASP 3439Ca -0.10 0.55 0.13 0.00 0.71 0.00 0.00 54.79 56.09 1mx1 n ASP 3439Cb 0.20 -0.57 0.48 0.00 -0.02 0.00 0.00 41.12 41.21 1mx1 n ASP 3439CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mx1 n ALA 3440N -1.56 2.92 -0.32 2.24 0.00 -0.80 -4.93 120.51 118.06 1mx1 n ALA 3440Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1mx1 n ALA 3440Cb 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1mx1 n ALA 3440CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx1 n GLY 3441N 1.30 0.77 3.93 0.00 0.00 0.87 -5.05 105.19 107.01 1mx1 n GLY 3441Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1mx1 n GLY 3441CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s ALA 3442N -2.25 3.99 0.23 4.61 0.00 -1.17 -5.05 121.76 122.12 1mx1 s ALA 3442Ca 0.00 -0.91 -0.32 0.00 0.00 0.00 0.00 51.96 50.73 1mx1 s ALA 3442Cb 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 23.12 21.19 1mx1 s ALA 3442CO 0.00 0.72 1.70 -2.30 0.00 0.00 0.00 175.76 175.88 1mx1 n PRO 3443N -0.02 2.78 -4.18 0.00 -0.02 -1.26 -4.27 135.00 128.02 1mx1 n PRO 3443Ca -0.06 1.00 -0.16 0.00 -2.02 0.00 0.00 63.50 62.26 1mx1 n PRO 3443Cb 0.52 -2.83 -0.14 0.00 -0.02 0.00 0.00 33.50 31.03 1mx1 n PRO 3443CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1mx1 s THR 3444N 0.89 0.51 0.02 3.45 2.01 -1.26 -1.10 115.64 120.15 1mx1 s THR 3444Ca 0.72 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.31 1mx1 s THR 3444Cb -0.50 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1mx1 s THR 3444CO 0.36 0.03 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.96 1mx1 s TYR 3445N -0.39 0.50 0.11 4.92 2.02 -0.39 0.77 117.35 124.89 1mx1 s TYR 3445Ca 0.00 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1mx1 s TYR 3445Cb -0.04 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 1mx1 s TYR 3445CO -0.00 -0.06 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.18 1mx1 s MET 3446N -0.85 0.93 0.13 -0.62 -1.94 -1.26 -0.25 119.30 115.44 1mx1 s MET 3446Ca -0.05 -1.26 -0.10 0.00 -1.71 0.00 0.00 55.69 52.58 1mx1 s MET 3446Cb -0.06 -0.61 0.00 0.00 2.01 0.00 0.00 34.83 36.17 1mx1 s MET 3446CO 0.00 0.09 0.27 1.52 -0.01 0.00 0.00 175.02 176.89 1mx1 s TYR 3447N -2.66 0.21 -0.12 -0.03 1.13 -1.12 -1.71 117.35 113.04 1mx1 s TYR 3447Ca 0.09 -0.59 -0.02 0.00 -1.41 0.00 0.00 57.07 55.14 1mx1 s TYR 3447Cb -0.02 -0.00 0.04 0.00 -1.10 0.00 0.00 41.96 40.88 1mx1 s TYR 3447CO 0.01 -0.66 0.01 -2.00 -2.51 0.00 0.00 175.55 170.40 1mx1 s GLU 3448N -3.90 0.67 -0.17 -3.49 2.12 -0.02 -2.11 118.70 111.81 1mx1 s GLU 3448Ca 0.10 -0.11 -0.18 0.00 0.36 0.00 0.00 54.97 55.14 1mx1 s GLU 3448Cb 0.04 -1.45 -0.04 0.00 0.26 0.00 0.00 34.13 32.94 1mx1 s GLU 3448CO -0.06 -0.43 0.48 0.12 -0.54 0.00 0.00 175.26 174.83 1mx1 s PHE 3449N 1.92 3.43 -0.41 5.30 5.36 0.08 -0.52 117.98 133.14 1mx1 s PHE 3449Ca 0.03 0.79 0.02 0.00 -0.96 0.00 0.00 56.93 56.81 1mx1 s PHE 3449Cb -0.14 -2.59 0.15 0.00 -0.34 0.00 0.00 43.02 40.10 1mx1 s PHE 3449CO -0.06 0.03 0.28 -1.14 -1.46 0.00 0.00 175.22 172.87 1mx1 s GLN 3450N 1.14 0.92 -0.21 10.12 0.74 0.13 -0.47 119.66 132.03 1mx1 s GLN 3450Ca 0.24 -1.85 -0.24 0.00 0.05 0.00 0.00 55.36 53.56 1mx1 s GLN 3450Cb -0.15 -1.64 0.06 0.00 1.10 0.00 0.00 33.01 32.38 1mx1 s GLN 3450CO 0.09 -1.27 0.65 -0.47 -0.55 0.00 0.00 175.29 173.74 1mx1 s TYR 3451N 0.43 -0.69 -0.46 1.67 5.04 -1.26 -4.34 117.35 117.74 1mx1 s TYR 3451Ca 0.24 1.60 -0.11 0.00 -2.44 0.00 0.00 57.07 56.36 1mx1 s TYR 3451Cb -0.12 0.27 0.10 0.00 0.35 0.00 0.00 41.96 42.55 1mx1 s TYR 3451CO -0.08 -0.39 0.33 0.50 -1.34 0.00 0.00 175.55 174.57 1mx1 s ARG 3452N 0.04 2.66 0.66 4.97 3.52 -1.26 -2.53 118.95 127.01 1mx1 s ARG 3452Ca -0.02 -1.56 -0.17 0.00 -0.13 0.00 0.00 55.73 53.84 1mx1 s ARG 3452Cb -0.04 -3.93 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 1mx1 s ARG 3452CO 0.02 -1.08 1.25 -1.25 -0.81 0.00 0.00 175.30 173.44 1mx1 s PRO 3453N 1.45 2.49 0.00 5.12 0.04 -1.26 -4.87 135.00 137.97 1mx1 s PRO 3453Ca 0.04 1.93 0.27 0.00 0.04 0.00 0.00 61.00 63.28 1mx1 s PRO 3453Cb -0.25 -1.86 1.42 0.00 0.04 0.00 0.00 34.50 33.86 1mx1 s PRO 3453CO 0.02 -1.61 1.94 -1.13 0.04 0.00 0.00 177.00 176.26 1mx1 n SER 3454N -2.11 0.00 -0.52 6.66 3.41 -1.26 -2.53 113.62 117.27 1mx1 n SER 3454Ca 0.15 -0.24 0.12 0.00 -0.26 0.00 0.00 58.87 58.64 1mx1 n SER 3454Cb 0.49 -0.24 0.45 0.00 -0.26 0.00 0.00 64.21 64.65 1mx1 n SER 3454CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mx1 n PHE 3455N -1.24 0.11 -0.64 7.33 3.01 -1.26 -4.93 117.46 119.84 1mx1 n PHE 3455Ca 0.14 -0.05 -0.31 0.00 1.01 0.00 0.00 57.45 58.24 1mx1 n PHE 3455Cb 0.19 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 39.85 1mx1 n PHE 3455CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1mx1 n SER 3456N 0.25 -0.70 -4.78 4.37 7.64 -1.05 -4.95 113.62 114.39 1mx1 n SER 3456Ca 0.18 0.24 -0.34 0.00 1.01 0.00 0.00 58.87 59.96 1mx1 n SER 3456Cb 0.34 -1.35 0.02 0.00 -1.01 0.00 0.00 64.21 62.21 1mx1 n SER 3456CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1mx1 s SER 3457N -2.43 5.46 0.55 6.43 0.15 -1.26 -4.93 113.70 117.67 1mx1 s SER 3457Ca 0.65 2.01 0.33 0.00 0.70 0.00 0.00 55.95 59.64 1mx1 s SER 3457Cb -0.23 -2.56 1.52 0.00 -1.71 0.00 0.00 66.02 63.05 1mx1 s SER 3457CO 0.62 -1.39 2.05 0.44 1.20 0.00 0.00 173.24 176.16 1mx1 h ASP 3458N 0.50 0.00 0.35 5.45 3.32 -1.98 -2.51 116.42 121.56 1mx1 h ASP 3458Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1mx1 h ASP 3458Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1mx1 h ASP 3458CO 0.56 0.05 -0.19 0.23 -1.72 0.00 0.00 179.24 178.17 1mx1 n MET 3459N -3.23 0.66 -3.19 3.56 2.81 -1.26 -4.82 117.12 111.65 1mx1 n MET 3459Ca -0.01 -0.31 -0.40 0.00 -1.81 0.00 0.00 57.70 55.18 1mx1 n MET 3459Cb 0.27 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.22 1mx1 n MET 3459CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mx1 s LYS 3460N -2.55 4.14 0.39 0.03 2.20 -0.95 -5.03 119.74 117.97 1mx1 s LYS 3460Ca 0.25 0.46 -0.26 0.00 -0.36 0.00 0.00 55.97 56.05 1mx1 s LYS 3460Cb 0.19 -3.61 -0.11 0.00 -1.51 0.00 0.00 37.83 32.79 1mx1 s LYS 3460CO 0.51 -0.29 1.27 -2.30 -0.36 0.00 0.00 175.35 174.19 1mx1 n PRO 3461N 5.27 1.99 0.32 4.03 -0.02 -1.26 -4.87 135.00 140.47 1mx1 n PRO 3461Ca -0.03 0.70 0.20 0.00 -2.02 0.00 0.00 63.50 62.36 1mx1 n PRO 3461Cb 0.50 -2.35 1.11 0.00 -0.02 0.00 0.00 33.50 32.74 1mx1 n PRO 3461CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1mx1 h LYS 3462N 2.26 0.00 0.00 -0.52 1.79 -1.96 -2.38 116.57 115.75 1mx1 h LYS 3462Ca -0.47 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.98 1mx1 h LYS 3462Cb 1.29 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1mx1 h LYS 3462CO 0.61 0.00 -0.11 1.79 -1.08 0.00 0.00 179.45 180.67 1mx1 h THR 3463N 0.00 0.24 -2.90 -0.16 1.35 -2.04 -3.43 112.91 105.97 1mx1 h THR 3463Ca -0.00 -0.89 -0.57 0.00 -0.55 0.00 0.00 66.41 64.40 1mx1 h THR 3463Cb 0.02 1.73 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 1mx1 h THR 3463CO 0.00 0.10 0.92 -0.69 -0.25 0.00 0.00 175.52 175.61 1mx1 s VAL 3464N -3.56 4.22 -0.05 6.82 1.01 -0.90 -5.01 120.40 122.94 1mx1 s VAL 3464Ca 0.02 1.47 0.04 0.00 0.00 0.00 0.00 61.98 63.50 1mx1 s VAL 3464Cb 0.09 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1mx1 s VAL 3464CO 0.61 -0.15 -0.15 -0.63 0.00 0.00 0.00 175.10 174.78 1mx1 s ILE 3465N 3.61 1.26 -0.70 2.22 1.01 -1.26 -4.75 121.20 122.59 1mx1 s ILE 3465Ca 0.56 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1mx1 s ILE 3465Cb -0.22 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1mx1 s ILE 3465CO 0.16 0.37 0.61 0.61 0.00 0.00 0.00 174.94 176.69 1mx1 n GLY 3466N 3.32 0.17 3.78 6.18 0.00 -1.05 -3.62 105.19 113.97 1mx1 n GLY 3466Ca -0.19 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1mx1 n GLY 3466CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx1 s ASP 3467N -3.19 4.24 0.03 1.61 2.15 -1.26 -0.28 116.67 119.97 1mx1 s ASP 3467Ca 0.29 1.37 -0.36 0.00 0.43 0.00 0.00 52.55 54.28 1mx1 s ASP 3467Cb -0.13 -2.09 -0.15 0.00 -0.30 0.00 0.00 42.92 40.25 1mx1 s ASP 3467CO 0.38 -2.14 1.54 1.57 -0.17 0.00 0.00 175.17 176.35 1mx1 n HIS 3468N -3.55 1.93 -0.17 -5.34 -0.00 -1.23 -1.31 115.22 105.56 1mx1 n HIS 3468Ca 0.07 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.22 1mx1 n HIS 3468Cb 0.56 -2.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 1mx1 n HIS 3468CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mx1 n GLY 3469N 3.27 1.73 0.26 1.57 0.00 -1.26 -4.87 105.19 105.89 1mx1 n GLY 3469Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1mx1 n GLY 3469CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx1 h ASP 3470N 0.00 0.00 1.49 1.61 5.19 -1.54 -2.32 116.42 120.85 1mx1 h ASP 3470Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1mx1 h ASP 3470Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1mx1 h ASP 3470CO 0.00 0.05 0.00 1.05 -3.12 0.00 0.00 179.24 177.22 1mx1 h GLU 3471N 0.00 0.00 -0.81 3.56 9.09 -1.90 -3.29 114.58 121.23 1mx1 h GLU 3471Ca -0.00 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.50 1mx1 h GLU 3471Cb 0.10 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.14 1mx1 h GLU 3471CO 0.01 0.00 0.53 -0.07 0.05 0.00 0.00 179.01 179.52 1mx1 h LEU 3472N 0.00 0.71 -1.24 3.06 3.38 -1.83 -1.58 115.31 117.81 1mx1 h LEU 3472Ca 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1mx1 h LEU 3472Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1mx1 h LEU 3472CO 0.00 0.43 -0.26 -0.26 0.09 0.00 0.00 178.44 178.44 1mx1 h PHE 3473N 0.79 0.21 0.00 1.13 -1.00 -1.75 -1.35 116.94 114.97 1mx1 h PHE 3473Ca 0.37 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 61.10 1mx1 h PHE 3473Cb 0.39 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1mx1 h PHE 3473CO -0.00 0.44 -0.03 0.77 -1.61 0.00 0.00 178.31 177.88 1mx1 h SER 3474N 0.18 0.03 -0.77 2.17 0.02 -1.55 0.44 113.55 114.06 1mx1 h SER 3474Ca 0.03 -0.84 0.09 0.00 -0.84 0.00 0.00 61.79 60.23 1mx1 h SER 3474Cb 0.56 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 1mx1 h SER 3474CO 0.04 0.86 0.42 0.58 -1.14 0.00 0.00 176.83 177.59 1mx1 h VAL 3475N -0.80 0.89 -0.53 2.27 2.07 -1.26 -2.34 116.25 116.54 1mx1 h VAL 3475Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1mx1 h VAL 3475Cb 0.87 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1mx1 h VAL 3475CO 0.01 0.13 0.00 0.49 0.02 0.00 0.00 177.57 178.22 1mx1 n PHE 3476N -4.79 0.91 -3.56 1.57 3.01 -0.52 -4.68 117.46 109.40 1mx1 n PHE 3476Ca 0.12 -0.40 -0.22 0.00 1.01 0.00 0.00 57.45 57.96 1mx1 n PHE 3476Cb 0.27 -0.09 0.08 0.00 -0.01 0.00 0.00 39.48 39.73 1mx1 n PHE 3476CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx1 n GLY 3477N 1.19 -0.46 0.35 1.37 0.00 -0.88 -4.45 105.19 102.30 1mx1 n GLY 3477Ca 0.19 0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.43 1mx1 n GLY 3477CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 h ALA 3478N 0.96 1.33 0.00 4.61 0.00 -1.16 -1.27 119.26 123.73 1mx1 h ALA 3478Ca -0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1mx1 h ALA 3478Cb 1.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1mx1 h ALA 3478CO 0.55 0.32 0.07 -2.30 0.00 0.00 0.00 179.25 177.88 1mx1 n PRO 3479N -4.58 0.00 0.00 0.00 -0.02 -1.26 -0.09 135.00 129.05 1mx1 n PRO 3479Ca 0.15 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1mx1 n PRO 3479Cb 0.22 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 1mx1 n PRO 3479CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1mx1 n PHE 3480N -1.35 0.00 -0.03 6.00 3.01 -0.48 -4.58 117.46 120.03 1mx1 n PHE 3480Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1mx1 n PHE 3480Cb 0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 1mx1 n PHE 3480CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mx1 n LEU 3481N -0.69 2.74 -4.76 4.37 4.77 0.06 -5.03 117.00 118.47 1mx1 n LEU 3481Ca 0.03 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 1mx1 n LEU 3481Cb 0.20 -0.16 0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1mx1 n LEU 3481CO 0.17 0.55 0.69 -0.54 -1.33 0.00 0.00 177.39 176.93 1mx1 s LYS 3482N -2.10 1.84 -0.11 3.23 3.01 0.87 -4.30 119.74 122.18 1mx1 s LYS 3482Ca -0.07 0.85 -0.21 0.00 -1.01 0.00 0.00 55.97 55.53 1mx1 s LYS 3482Cb 0.02 -1.87 -0.04 0.00 -1.01 0.00 0.00 37.83 34.93 1mx1 s LYS 3482CO 0.12 -1.84 0.62 -2.00 0.51 0.00 0.00 175.35 172.77 1mx1 s GLU 3483N -5.00 4.36 -0.51 1.68 2.12 -1.26 -4.66 118.70 115.43 1mx1 s GLU 3483Ca 0.62 0.70 -0.27 0.00 0.36 0.00 0.00 54.97 56.38 1mx1 s GLU 3483Cb -0.16 -3.47 0.04 0.00 0.26 0.00 0.00 34.13 30.79 1mx1 s GLU 3483CO 0.56 0.02 0.64 0.41 -0.54 0.00 0.00 175.26 176.35 1mx1 n GLY 3484N 3.30 -0.46 3.92 -1.50 0.00 -1.26 -5.01 105.19 104.19 1mx1 n GLY 3484Ca -0.03 1.09 -0.28 0.00 0.00 0.00 0.00 46.02 46.80 1mx1 n GLY 3484CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s ALA 3485N -2.02 3.85 0.69 4.61 0.00 -1.26 -5.07 121.76 122.57 1mx1 s ALA 3485Ca 0.29 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 1mx1 s ALA 3485Cb -0.04 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.12 1mx1 s ALA 3485CO 0.85 0.51 1.17 -1.54 0.00 0.00 0.00 175.76 176.75 1mx1 s SER 3486N -3.01 4.58 0.38 0.00 1.04 -1.26 -4.79 113.70 110.64 1mx1 s SER 3486Ca 0.38 2.24 0.06 0.00 0.48 0.00 0.00 55.95 59.12 1mx1 s SER 3486Cb -0.11 -2.58 0.78 0.00 0.10 0.00 0.00 66.02 64.21 1mx1 s SER 3486CO 0.28 -1.99 1.98 -0.33 0.98 0.00 0.00 173.24 174.16 1mx1 h GLU 3487N -0.08 0.68 -0.28 4.02 4.39 -1.98 -0.32 114.58 121.00 1mx1 h GLU 3487Ca -0.48 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 1mx1 h GLU 3487Cb 1.28 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1mx1 h GLU 3487CO 0.52 0.45 0.14 1.49 -1.16 0.00 0.00 179.01 180.45 1mx1 h GLU 3488N 0.70 0.40 -0.71 2.33 4.81 -1.99 -0.06 114.58 120.06 1mx1 h GLU 3488Ca 0.28 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1mx1 h GLU 3488Cb 0.20 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1mx1 h GLU 3488CO -0.08 0.37 0.23 1.49 -0.73 0.00 0.00 179.01 180.29 1mx1 h GLU 3489N 0.33 1.10 -0.59 1.92 4.81 -1.71 -2.04 114.58 118.39 1mx1 h GLU 3489Ca 0.10 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1mx1 h GLU 3489Cb 0.10 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1mx1 h GLU 3489CO -0.01 0.94 0.30 0.82 -0.73 0.00 0.00 179.01 180.33 1mx1 h ILE 3490N 1.04 1.20 -0.82 2.32 2.04 -0.78 -2.18 117.51 120.33 1mx1 h ILE 3490Ca 0.23 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1mx1 h ILE 3490Cb 0.30 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1mx1 h ILE 3490CO -0.01 0.23 0.44 -0.09 0.00 0.00 0.00 178.15 178.72 1mx1 h ARG 3491N 0.81 1.14 -0.56 2.37 2.43 -0.74 -2.13 114.38 117.70 1mx1 h ARG 3491Ca 0.21 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1mx1 h ARG 3491Cb 0.09 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1mx1 h ARG 3491CO -0.03 0.85 0.23 1.25 -1.51 0.00 0.00 179.97 180.76 1mx1 h LEU 3492N 1.14 0.76 -0.50 3.80 5.85 -1.04 -2.48 115.31 122.84 1mx1 h LEU 3492Ca 0.29 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 1mx1 h LEU 3492Cb 0.04 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1mx1 h LEU 3492CO -0.05 0.71 -0.08 -1.28 -0.34 0.00 0.00 178.44 177.40 1mx1 h SER 3493N 0.76 0.93 -0.92 1.25 0.87 -1.19 -0.88 113.55 114.38 1mx1 h SER 3493Ca 0.19 -0.35 0.02 0.00 -1.23 0.00 0.00 61.79 60.42 1mx1 h SER 3493Cb 0.18 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.84 1mx1 h SER 3493CO -0.02 1.06 0.60 0.11 -0.53 0.00 0.00 176.83 178.06 1mx1 h LYS 3494N 0.79 1.18 -0.39 2.24 1.57 -1.27 -0.27 116.57 120.43 1mx1 h LYS 3494Ca 0.13 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1mx1 h LYS 3494Cb 0.63 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1mx1 h LYS 3494CO 0.04 0.78 -0.18 1.98 -0.57 0.00 0.00 179.45 181.51 1mx1 h MET 3495N 1.22 0.80 -0.20 3.15 4.05 -1.21 -2.01 114.93 120.72 1mx1 h MET 3495Ca 0.35 -0.35 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1mx1 h MET 3495Cb -0.10 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1mx1 h MET 3495CO -0.09 0.97 0.01 0.28 0.23 0.00 0.00 176.91 178.32 1mx1 h VAL 3496N 0.60 1.24 -0.47 -5.77 2.07 -0.79 -1.15 116.25 111.98 1mx1 h VAL 3496Ca 0.09 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1mx1 h VAL 3496Cb 0.73 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1mx1 h VAL 3496CO 0.06 0.25 0.26 0.24 0.02 0.00 0.00 177.57 178.40 1mx1 h MET 3497N 0.12 0.64 0.58 1.57 2.07 -1.08 -0.29 114.93 118.55 1mx1 h MET 3497Ca 0.06 -0.06 -0.03 0.00 -2.07 0.00 0.00 59.70 57.60 1mx1 h MET 3497Cb 0.37 -0.13 0.01 0.00 -1.87 0.00 0.00 31.60 29.97 1mx1 h MET 3497CO 0.01 0.47 -0.28 0.87 1.07 0.00 0.00 176.91 179.05 1mx1 h LYS 3498N 0.65 -0.75 -0.26 1.72 1.79 -1.08 0.10 116.57 118.74 1mx1 h LYS 3498Ca 0.17 0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.74 1mx1 h LYS 3498Cb 0.01 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 1mx1 h LYS 3498CO -0.03 -0.49 -0.02 0.74 -1.08 0.00 0.00 179.45 178.56 1mx1 h PHE 3499N -0.80 -0.06 -0.63 -1.35 0.05 -0.79 0.14 116.94 113.50 1mx1 h PHE 3499Ca -0.08 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.73 1mx1 h PHE 3499Cb 0.61 0.07 -0.03 0.00 2.00 0.00 0.00 35.95 38.59 1mx1 h PHE 3499CO -0.03 -0.07 0.40 -1.49 -0.18 0.00 0.00 178.31 176.94 1mx1 h TRP 3500N 0.05 0.82 -0.13 -0.55 -0.00 -0.97 -0.74 115.95 114.43 1mx1 h TRP 3500Ca 0.13 0.01 -0.19 0.00 -0.00 0.00 0.00 58.89 58.84 1mx1 h TRP 3500Cb 0.17 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.16 29.06 1mx1 h TRP 3500CO -0.22 0.54 -0.69 0.00 -0.00 0.00 0.00 178.44 178.06 1mx1 h ALA 3501N 1.21 0.56 -0.70 1.49 0.00 -0.51 -1.10 119.26 120.21 1mx1 h ALA 3501Ca 0.23 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1mx1 h ALA 3501Cb -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1mx1 h ALA 3501CO -0.05 0.72 0.19 -0.91 0.00 0.00 0.00 179.25 179.21 1mx1 h ASN 3502N 0.38 1.04 -0.64 0.00 2.35 -0.53 -1.67 115.58 116.51 1mx1 h ASN 3502Ca -0.02 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1mx1 h ASN 3502Cb 1.27 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 1mx1 h ASN 3502CO 0.13 1.00 0.42 0.15 -1.65 0.00 0.00 177.43 177.47 1mx1 h PHE 3503N 1.04 0.82 -0.88 1.19 3.57 -0.98 0.17 116.94 121.87 1mx1 h PHE 3503Ca 0.22 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.81 1mx1 h PHE 3503Cb 0.35 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 1mx1 h PHE 3503CO 0.03 0.52 0.55 0.00 -2.23 0.00 0.00 178.31 177.17 1mx1 h ALA 3504N 1.23 1.23 0.00 2.41 0.00 -0.41 0.48 119.26 124.19 1mx1 h ALA 3504Ca 0.24 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 1mx1 h ALA 3504Cb -0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1mx1 h ALA 3504CO -0.05 0.27 -1.43 0.07 0.00 0.00 0.00 179.25 178.11 1mx1 h ARG 3505N 0.97 0.00 0.00 0.00 0.11 -0.85 -3.42 114.38 111.19 1mx1 h ARG 3505Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1mx1 h ARG 3505Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1mx1 h ARG 3505CO -0.19 0.38 -0.37 0.09 0.10 0.00 0.00 179.97 179.98 1mx1 n ASN 3506N -2.96 1.13 -0.07 0.08 3.02 0.57 -4.97 115.26 112.05 1mx1 n ASN 3506Ca -0.11 -0.43 -0.01 0.00 -0.03 0.00 0.00 54.58 54.00 1mx1 n ASN 3506Cb 0.90 1.03 -0.00 0.00 -0.61 0.00 0.00 39.78 41.09 1mx1 n ASN 3506CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx1 n GLY 3507N 1.37 0.47 2.90 7.41 0.00 0.17 -4.97 105.19 112.53 1mx1 n GLY 3507Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1mx1 n GLY 3507CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mx1 s ASN 3508N -2.21 0.25 0.38 1.61 3.84 -1.26 -4.88 114.94 112.67 1mx1 s ASN 3508Ca 0.00 0.34 0.21 0.00 0.21 0.00 0.00 52.86 53.61 1mx1 s ASN 3508Cb 0.00 0.25 0.51 0.00 -0.55 0.00 0.00 41.25 41.46 1mx1 s ASN 3508CO 0.00 -0.19 1.65 1.55 -2.79 0.00 0.00 177.10 177.31 1mx1 h PRO 3509N 7.74 0.00 -6.87 0.43 0.13 -1.81 -3.12 132.00 128.51 1mx1 h PRO 3509Ca -0.30 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.27 1mx1 h PRO 3509Cb 1.13 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.41 1mx1 h PRO 3509CO 0.30 0.29 0.24 0.09 -0.23 0.00 0.00 178.00 178.69 1mx1 n ASN 3510N -3.27 1.26 -3.64 1.44 3.02 -1.26 -4.51 115.26 108.30 1mx1 n ASN 3510Ca 0.01 0.86 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 1mx1 n ASN 3510Cb 0.56 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1mx1 n ASN 3510CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1mx1 s GLY 3511N -1.14 -0.22 0.22 7.41 0.00 -1.26 -4.96 107.32 107.38 1mx1 s GLY 3511Ca 0.74 0.25 -0.31 0.00 0.00 0.00 0.00 44.72 45.40 1mx1 s GLY 3511CO 0.48 1.96 1.56 -0.54 0.00 0.00 0.00 173.10 176.56 1mx1 s GLU 3512N -2.40 4.20 0.00 2.90 8.01 -1.26 -2.58 118.70 127.58 1mx1 s GLU 3512Ca 0.19 2.41 0.00 0.00 0.01 0.00 0.00 54.97 57.59 1mx1 s GLU 3512Cb 0.01 -3.11 0.00 0.00 -4.31 0.00 0.00 34.13 26.72 1mx1 s GLU 3512CO -0.00 -0.58 0.00 0.41 0.01 0.00 0.00 175.26 175.10 1mx1 n GLY 3513N 3.06 0.87 3.57 -1.39 0.00 -1.26 -5.03 105.19 105.01 1mx1 n GLY 3513Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1mx1 n GLY 3513CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mx1 s LEU 3514N 0.00 3.08 0.78 0.99 1.43 -1.06 -5.09 118.68 118.80 1mx1 s LEU 3514Ca 0.00 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 1mx1 s LEU 3514Cb 0.00 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.53 1mx1 s LEU 3514CO 0.00 0.29 1.23 -2.16 0.23 0.00 0.00 176.35 175.93 1mx1 s PRO 3515N -1.33 1.77 0.07 1.29 0.04 -1.26 -4.75 135.00 130.82 1mx1 s PRO 3515Ca 0.16 1.83 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 1mx1 s PRO 3515Cb -0.11 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 1mx1 s PRO 3515CO 0.06 -2.13 1.48 -1.58 0.04 0.00 0.00 177.00 174.87 1mx1 s HIS 3516N -2.00 2.89 -0.38 0.56 2.46 -1.26 -4.87 115.29 112.69 1mx1 s HIS 3516Ca 0.75 0.71 -0.05 0.00 0.47 0.00 0.00 55.06 56.94 1mx1 s HIS 3516Cb -0.31 -3.78 0.08 0.00 -0.13 0.00 0.00 32.58 28.44 1mx1 s HIS 3516CO 0.49 -2.91 0.17 -0.46 -2.47 0.00 0.00 174.74 169.56 1mx1 s TRP 3517N 1.91 3.39 0.46 3.88 -0.11 -1.26 -4.46 118.94 122.74 1mx1 s TRP 3517Ca 0.67 -1.85 -0.23 0.00 1.22 0.00 0.00 56.10 55.91 1mx1 s TRP 3517Cb -0.37 -2.77 -0.07 0.00 -1.50 0.00 0.00 33.47 28.76 1mx1 s TRP 3517CO 0.30 -0.86 1.21 -1.25 -4.62 0.00 0.00 176.95 171.73 1mx1 s PRO 3518N 1.30 3.74 0.48 5.86 0.04 -1.26 -4.81 135.00 140.36 1mx1 s PRO 3518Ca 0.02 1.89 -0.22 0.00 0.04 0.00 0.00 61.00 62.73 1mx1 s PRO 3518Cb -0.22 -2.47 -0.07 0.00 0.04 0.00 0.00 34.50 31.79 1mx1 s PRO 3518CO -0.00 -0.60 1.18 -2.00 0.04 0.00 0.00 177.00 175.62 1mx1 s GLU 3519N -2.61 3.64 -1.25 4.56 2.12 -1.26 -4.53 118.70 119.37 1mx1 s GLU 3519Ca 0.63 1.79 -0.17 0.00 0.36 0.00 0.00 54.97 57.58 1mx1 s GLU 3519Cb -0.32 -2.33 0.10 0.00 0.26 0.00 0.00 34.13 31.84 1mx1 s GLU 3519CO 0.39 -0.65 1.61 -0.47 -0.54 0.00 0.00 175.26 175.59 1mx1 s TYR 3520N -1.56 3.00 0.00 5.30 5.04 0.23 -4.12 117.35 125.24 1mx1 s TYR 3520Ca 0.66 -1.74 0.00 0.00 -2.44 0.00 0.00 57.07 53.55 1mx1 s TYR 3520Cb -0.29 -4.60 0.00 0.00 0.35 0.00 0.00 41.96 37.42 1mx1 s TYR 3520CO 0.35 -1.68 0.00 0.27 -1.34 0.00 0.00 175.55 173.15 1mx1 n ASN 3521N 7.52 0.15 0.32 4.32 0.23 -1.26 -4.59 115.26 121.95 1mx1 n ASN 3521Ca 0.44 0.00 0.19 0.00 -0.53 0.00 0.00 54.58 54.68 1mx1 n ASN 3521Cb 0.45 0.00 1.07 0.00 -2.08 0.00 0.00 39.78 39.22 1mx1 n ASN 3521CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1mx1 h GLN 3522N 0.00 0.00 0.00 -3.83 1.08 -2.00 0.20 115.11 110.56 1mx1 h GLN 3522Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1mx1 h GLN 3522Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1mx1 h GLN 3522CO 0.00 0.01 0.00 1.63 -0.95 0.00 0.00 178.83 179.52 1mx1 n LYS 3523N -3.41 0.17 -3.68 1.46 5.02 -1.26 -4.93 118.16 111.52 1mx1 n LYS 3523Ca -0.03 0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 56.20 1mx1 n LYS 3523Cb 0.09 -1.71 0.06 0.00 -0.02 0.00 0.00 35.03 33.44 1mx1 n LYS 3523CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mx1 n GLU 3524N -2.01 -6.30 -2.56 1.97 1.02 0.69 -4.12 120.64 109.33 1mx1 n GLU 3524Ca 0.06 0.72 -0.35 0.00 -0.02 0.00 0.00 57.16 57.57 1mx1 n GLU 3524Cb 0.37 -5.60 -0.04 0.00 -0.02 0.00 0.00 31.44 26.15 1mx1 n GLU 3524CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx1 s GLY 3525N -3.77 2.57 0.15 0.62 0.00 -1.26 -1.27 107.32 104.37 1mx1 s GLY 3525Ca 0.36 0.62 -0.14 0.00 0.00 0.00 0.00 44.72 45.56 1mx1 s GLY 3525CO 0.78 0.97 0.38 -2.52 0.00 0.00 0.00 173.10 172.71 1mx1 s TYR 3526N -1.89 0.02 -0.14 1.90 -0.85 0.32 -4.09 117.35 112.62 1mx1 s TYR 3526Ca 0.64 -0.37 -0.08 0.00 -0.52 0.00 0.00 57.07 56.74 1mx1 s TYR 3526Cb -0.18 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 1mx1 s TYR 3526CO 0.22 -0.75 0.13 -1.17 -1.52 0.00 0.00 175.55 172.46 1mx1 s LEU 3527N -2.87 4.31 -0.45 -3.49 2.96 -0.70 -0.71 118.68 117.73 1mx1 s LEU 3527Ca 0.09 0.39 -0.15 0.00 -0.22 0.00 0.00 54.13 54.23 1mx1 s LEU 3527Cb 0.02 -2.07 0.06 0.00 0.50 0.00 0.00 46.19 44.69 1mx1 s LEU 3527CO -0.06 0.34 0.37 -1.10 -1.32 0.00 0.00 176.35 174.58 1mx1 s GLN 3528N -0.61 2.98 -0.13 1.98 -0.21 0.46 -0.84 119.66 123.29 1mx1 s GLN 3528Ca 0.13 -1.25 -0.15 0.00 0.02 0.00 0.00 55.36 54.11 1mx1 s GLN 3528Cb -0.12 -4.09 -0.05 0.00 1.00 0.00 0.00 33.01 29.76 1mx1 s GLN 3528CO 0.02 -0.94 0.35 0.42 -2.12 0.00 0.00 175.29 173.02 1mx1 s ILE 3529N 1.66 5.25 -0.75 1.08 1.01 0.32 -2.33 121.20 127.43 1mx1 s ILE 3529Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1mx1 s ILE 3529Cb -0.23 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1mx1 s ILE 3529CO 0.08 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1mx1 n GLY 3530N 3.09 -0.56 0.36 6.18 0.00 -1.26 0.19 105.19 113.19 1mx1 n GLY 3530Ca -0.11 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.33 1mx1 n GLY 3530CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 h ALA 3531N 0.00 1.70 -3.35 4.61 0.00 -1.95 -3.32 119.26 116.94 1mx1 h ALA 3531Ca 0.00 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 1mx1 h ALA 3531Cb 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 17.79 17.28 1mx1 h ALA 3531CO 0.00 0.14 -0.73 -0.80 0.00 0.00 0.00 179.25 177.86 1mx1 s ASN 3532N -6.04 4.48 -0.24 0.00 0.02 -1.26 -5.08 114.94 106.82 1mx1 s ASN 3532Ca -0.10 -1.00 -0.07 0.00 -1.02 0.00 0.00 52.86 50.67 1mx1 s ASN 3532Cb 0.20 -1.67 -0.02 0.00 0.02 0.00 0.00 41.25 39.77 1mx1 s ASN 3532CO 0.78 -0.17 0.05 -0.89 0.02 0.00 0.00 177.10 176.89 1mx1 s THR 3533N 1.30 4.13 0.14 1.60 2.01 -1.25 -4.70 115.64 118.87 1mx1 s THR 3533Ca -0.02 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1mx1 s THR 3533Cb -0.18 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 1mx1 s THR 3533CO -0.03 0.36 0.23 -1.10 -0.69 0.00 0.00 174.62 173.39 1mx1 s GLN 3534N 1.55 1.05 0.49 4.92 1.11 -0.98 -4.94 119.66 122.86 1mx1 s GLN 3534Ca 0.06 -1.16 -0.13 0.00 0.01 0.00 0.00 55.36 54.14 1mx1 s GLN 3534Cb -0.15 0.35 -0.06 0.00 -1.01 0.00 0.00 33.01 32.14 1mx1 s GLN 3534CO 0.02 -0.37 0.90 0.00 0.01 0.00 0.00 175.29 175.86 1mx1 s ALA 3535N -3.95 3.20 0.34 6.09 0.00 -1.26 -0.41 121.76 125.77 1mx1 s ALA 3535Ca 0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.96 1mx1 s ALA 3535Cb 0.04 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.26 1mx1 s ALA 3535CO -0.02 -0.25 0.61 0.00 0.00 0.00 0.00 175.76 176.10 1mx1 s ALA 3536N -2.64 -0.07 0.08 0.00 0.00 0.12 -4.85 121.76 114.39 1mx1 s ALA 3536Ca 0.55 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.46 1mx1 s ALA 3536Cb -0.10 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1mx1 s ALA 3536CO 0.36 -0.89 -0.08 -0.65 0.00 0.00 0.00 175.76 174.51 1mx1 s GLN 3537N -2.93 0.72 -1.04 0.00 -0.21 -1.26 -0.52 119.66 114.41 1mx1 s GLN 3537Ca 0.22 -1.09 -0.01 0.00 0.02 0.00 0.00 55.36 54.50 1mx1 s GLN 3537Cb -0.03 -0.28 -0.01 0.00 1.00 0.00 0.00 33.01 33.69 1mx1 s GLN 3537CO 0.15 0.02 0.88 1.63 -2.12 0.00 0.00 175.29 175.84 1mx1 n LYS 3538N 0.61 -5.16 -1.68 2.91 5.02 -0.40 -4.94 118.16 114.52 1mx1 n LYS 3538Ca -0.17 0.76 -0.44 0.00 -2.02 0.00 0.00 58.31 56.44 1mx1 n LYS 3538Cb 0.58 -5.47 -0.04 0.00 -0.02 0.00 0.00 35.03 30.08 1mx1 n LYS 3538CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1mx1 n LEU 3539N -3.64 3.82 -1.98 -0.35 7.94 -1.26 -2.26 117.00 119.27 1mx1 n LEU 3539Ca -0.22 0.97 -0.13 0.00 -1.11 0.00 0.00 56.01 55.52 1mx1 n LEU 3539Cb 0.64 -1.48 -0.03 0.00 0.53 0.00 0.00 43.42 43.08 1mx1 n LEU 3539CO 0.54 0.08 -0.15 0.29 -1.11 0.00 0.00 177.39 177.03 1mx1 n LYS 3540N 6.16 -1.79 -0.19 1.96 4.76 -1.26 -4.86 118.16 122.94 1mx1 n LYS 3540Ca 0.20 0.69 -0.02 0.00 -2.87 0.00 0.00 58.31 56.31 1mx1 n LYS 3540Cb 0.35 -5.14 0.08 0.00 -1.84 0.00 0.00 35.03 28.48 1mx1 n LYS 3540CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1mx1 h ASP 3541N 0.00 0.34 0.25 4.39 1.82 -1.85 -1.55 116.42 119.82 1mx1 h ASP 3541Ca -0.29 0.05 -0.17 0.00 -0.39 0.00 0.00 57.03 56.22 1mx1 h ASP 3541Cb 1.07 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.06 1mx1 h ASP 3541CO 0.38 0.23 -0.66 0.11 -1.61 0.00 0.00 179.24 177.68 1mx1 h LYS 3542N 0.49 0.39 -0.48 0.28 1.57 -1.89 -2.87 116.57 114.06 1mx1 h LYS 3542Ca 0.26 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1mx1 h LYS 3542Cb 0.23 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1mx1 h LYS 3542CO -0.21 0.91 0.11 0.93 -0.57 0.00 0.00 179.45 180.62 1mx1 h GLU 3543N 0.28 0.78 -0.53 3.15 3.07 -1.87 -1.18 114.58 118.28 1mx1 h GLU 3543Ca -0.02 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1mx1 h GLU 3543Cb 1.21 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 29.00 1mx1 h GLU 3543CO 0.11 0.77 0.33 0.28 -1.40 0.00 0.00 179.01 179.11 1mx1 h VAL 3544N 0.66 1.15 -0.46 3.13 2.07 -1.28 -0.91 116.25 120.61 1mx1 h VAL 3544Ca 0.15 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1mx1 h VAL 3544Cb 0.35 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1mx1 h VAL 3544CO 0.00 0.15 0.30 0.00 0.02 0.00 0.00 177.57 178.04 1mx1 h ALA 3545N 1.17 0.58 0.51 1.67 0.00 -1.30 -0.38 119.26 121.52 1mx1 h ALA 3545Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1mx1 h ALA 3545Cb -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1mx1 h ALA 3545CO -0.04 0.03 -0.25 0.35 0.00 0.00 0.00 179.25 179.35 1mx1 h PHE 3546N 0.62 -0.64 -0.38 0.00 3.57 -0.82 -2.57 116.94 116.72 1mx1 h PHE 3546Ca 0.17 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1mx1 h PHE 3546Cb -0.07 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1mx1 h PHE 3546CO -0.04 -0.36 -0.09 -1.49 -2.23 0.00 0.00 178.31 174.10 1mx1 h TRP 3547N -0.78 0.70 -0.74 0.41 4.06 -1.14 -0.92 115.95 117.54 1mx1 h TRP 3547Ca -0.07 -0.11 -0.02 0.00 2.06 0.00 0.00 58.89 60.75 1mx1 h TRP 3547Cb 0.57 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.51 1mx1 h TRP 3547CO -0.02 0.72 0.39 1.15 -3.56 0.00 0.00 178.44 177.12 1mx1 h THR 3548N 0.60 1.23 -0.35 1.49 2.02 -1.08 -0.13 112.91 116.68 1mx1 h THR 3548Ca 0.11 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.59 1mx1 h THR 3548Cb 0.51 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1mx1 h THR 3548CO 0.03 0.26 -0.20 -1.13 0.37 0.00 0.00 175.52 174.85 1mx1 h ASN 3549N 1.02 0.78 0.30 4.18 -1.24 -1.17 -2.53 115.58 116.93 1mx1 h ASN 3549Ca 0.26 -0.42 -0.01 0.00 0.71 0.00 0.00 56.30 56.84 1mx1 h ASN 3549Cb 0.06 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.89 1mx1 h ASN 3549CO -0.04 1.03 -0.15 0.25 -1.29 0.00 0.00 177.43 177.24 1mx1 h LEU 3550N 0.54 -0.35 -1.79 0.34 5.85 -0.67 -2.83 115.31 116.40 1mx1 h LEU 3550Ca 0.07 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1mx1 h LEU 3550Cb 0.75 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1mx1 h LEU 3550CO 0.06 -0.24 -0.09 -0.26 -0.34 0.00 0.00 178.44 177.57 1mx1 h PHE 3551N -0.42 0.00 0.00 1.25 0.05 -1.10 -2.55 116.94 114.18 1mx1 h PHE 3551Ca -0.04 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.72 1mx1 h PHE 3551Cb 0.32 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.26 1mx1 h PHE 3551CO -0.05 0.09 -0.15 0.00 -0.18 0.00 0.00 178.31 178.02 1mx1 h ALA 3552N 1.91 1.10 0.00 2.45 0.00 -1.19 -3.51 119.26 120.02 1mx1 h ALA 3552Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1mx1 h ALA 3552Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1mx1 h ALA 3552CO 0.01 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.07