#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5u s GLN 4813N 0.00 4.67 -0.24 0.38 -1.52 -1.26 -5.04 119.66 116.65 1a5u s GLN 4813Ca 0.00 1.30 -0.20 0.00 -1.95 0.00 0.00 55.36 54.52 1a5u s GLN 4813Cb 0.00 -3.31 0.06 0.00 -0.22 0.00 0.00 33.01 29.55 1a5u s GLN 4813CO 0.00 0.44 0.61 -0.08 -0.25 0.00 0.00 175.29 176.01 1a5u s THR 4814N -0.75 -0.00 -1.21 -0.19 -1.32 -1.26 -1.71 115.64 109.19 1a5u s THR 4814Ca 0.40 0.01 -0.04 0.00 -1.21 0.00 0.00 61.69 60.85 1a5u s THR 4814Cb -0.24 -0.87 0.02 0.00 -1.51 0.00 0.00 72.50 69.91 1a5u s THR 4814CO 0.28 0.00 0.23 0.00 -2.21 0.00 0.00 174.62 172.92 1a5u n GLN 4815N 3.15 -2.90 -2.61 7.08 6.02 0.50 -1.15 117.38 127.47 1a5u n GLN 4815Ca -0.16 0.61 -0.15 0.00 -0.01 0.00 0.00 57.00 57.30 1a5u n GLN 4815Cb 0.56 -5.28 -0.00 0.00 1.02 0.00 0.00 30.24 26.54 1a5u n GLN 4815CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1a5u n GLN 4816N -3.25 -2.52 0.33 -1.09 1.13 -1.26 -4.75 117.38 105.96 1a5u n GLN 4816Ca -0.10 0.61 0.22 0.00 -1.94 0.00 0.00 57.00 55.79 1a5u n GLN 4816Cb 0.59 -5.24 1.18 0.00 0.11 0.00 0.00 30.24 26.88 1a5u n GLN 4816CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a5u h LEU 4817N -0.22 0.00 0.12 1.08 3.38 -1.46 -0.66 115.31 117.55 1a5u h LEU 4817Ca -0.33 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.32 1a5u h LEU 4817Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1a5u h LEU 4817CO 0.39 0.00 -1.58 -0.74 0.09 0.00 0.00 178.44 176.61 1a5u h HIS 4818N 0.00 0.47 -0.25 1.13 2.76 -1.88 -3.18 115.15 114.20 1a5u h HIS 4818Ca -0.00 -0.34 -0.10 0.00 -2.20 0.00 0.00 60.37 57.73 1a5u h HIS 4818Cb 0.02 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1a5u h HIS 4818CO 0.00 1.42 -0.26 0.00 -1.30 0.00 0.00 177.93 177.78 1a5u h ALA 4819N 0.45 1.09 -0.31 5.26 0.00 -1.57 -2.55 119.26 121.64 1a5u h ALA 4819Ca -0.26 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.39 1a5u h ALA 4819Cb 2.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1a5u h ALA 4819CO 0.16 0.56 0.27 0.00 0.00 0.00 0.00 179.25 180.24 1a5u h ALA 4820N 1.30 2.11 -0.01 0.00 0.00 -1.13 -0.68 119.26 120.85 1a5u h ALA 4820Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1a5u h ALA 4820Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1a5u h ALA 4820CO 0.05 -0.42 -0.09 -1.33 0.00 0.00 0.00 179.25 177.45 1a5u n MET 4821N -4.09 0.95 -1.00 0.00 2.81 -0.96 -4.76 117.12 110.06 1a5u n MET 4821Ca 0.04 -0.39 -0.33 0.00 -1.81 0.00 0.00 57.70 55.22 1a5u n MET 4821Cb 0.43 -1.49 0.13 0.00 -0.71 0.00 0.00 33.22 31.58 1a5u n MET 4821CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5u n ALA 4822N -0.69 -0.57 -0.08 3.04 0.00 -0.26 -4.99 120.51 116.96 1a5u n ALA 4822Ca 0.16 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1a5u n ALA 4822Cb 0.28 -2.16 -0.07 0.00 0.00 0.00 0.00 19.45 17.50 1a5u n ALA 4822CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1a5u h ASP 4823N -1.12 0.00 -2.00 0.00 2.03 -1.92 -3.48 116.42 109.94 1a5u h ASP 4823Ca -0.45 -0.34 -0.45 0.00 -0.73 0.00 0.00 57.03 55.06 1a5u h ASP 4823Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1a5u h ASP 4823CO 0.43 1.07 -0.35 0.42 -1.03 0.00 0.00 179.24 179.78 1a5u s THR 4824N -2.21 4.45 0.20 1.15 -4.23 -1.26 -5.00 115.64 108.74 1a5u s THR 4824Ca -0.20 -0.95 -0.06 0.00 -1.18 0.00 0.00 61.69 59.30 1a5u s THR 4824Cb 0.03 -3.56 0.05 0.00 1.34 0.00 0.00 72.50 70.36 1a5u s THR 4824CO 0.41 -0.23 1.63 0.15 -0.54 0.00 0.00 174.62 176.04 1a5u h PHE 4825N 0.94 0.99 -0.37 3.99 3.57 -1.99 -0.54 116.94 123.53 1a5u h PHE 4825Ca -0.48 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 60.85 1a5u h PHE 4825Cb 1.25 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1a5u h PHE 4825CO 0.44 0.97 0.18 1.25 -2.23 0.00 0.00 178.31 178.91 1a5u h LEU 4826N 0.79 0.26 -0.40 0.59 5.85 -1.98 0.21 115.31 120.62 1a5u h LEU 4826Ca 0.12 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1a5u h LEU 4826Cb 0.68 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1a5u h LEU 4826CO 0.05 0.19 0.18 -0.33 -0.34 0.00 0.00 178.44 178.19 1a5u h GLU 4827N 0.37 0.58 -0.19 1.25 4.39 -1.90 0.19 114.58 119.26 1a5u h GLU 4827Ca 0.16 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.82 1a5u h GLU 4827Cb 0.07 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.56 1a5u h GLU 4827CO -0.11 0.52 -0.22 1.25 -1.16 0.00 0.00 179.01 179.29 1a5u h HIS 4828N 0.50 -0.57 -0.44 4.33 2.76 -0.58 -0.58 115.15 120.57 1a5u h HIS 4828Ca 0.14 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.42 1a5u h HIS 4828Cb 0.14 0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.30 1a5u h HIS 4828CO -0.01 -0.29 -0.01 0.52 -1.30 0.00 0.00 177.93 176.83 1a5u h MET 4829N -0.24 0.09 0.00 5.26 2.86 -0.14 0.14 114.93 122.90 1a5u h MET 4829Ca 0.12 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1a5u h MET 4829Cb 0.42 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1a5u h MET 4829CO -0.33 0.06 0.00 0.00 1.06 0.00 0.00 176.91 177.70 1a5u n ARG 4831N -2.37 1.49 -1.77 0.00 1.74 0.46 -4.99 116.66 111.21 1a5u n ARG 4831Ca -0.01 -1.04 -0.42 0.00 -0.77 0.00 0.00 57.85 55.61 1a5u n ARG 4831Cb 0.07 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 1a5u n ARG 4831CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a5u s LEU 4832N -2.22 4.37 -0.17 0.55 1.43 -1.00 -4.38 118.68 117.26 1a5u s LEU 4832Ca 0.17 2.81 0.01 0.00 -1.03 0.00 0.00 54.13 56.09 1a5u s LEU 4832Cb 0.16 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.82 1a5u s LEU 4832CO 0.47 -0.94 -0.12 -0.62 0.23 0.00 0.00 176.35 175.37 1a5u s ASP 4833N 1.18 3.02 0.57 2.29 -1.08 -1.26 -4.97 116.67 116.40 1a5u s ASP 4833Ca 0.74 -0.68 0.37 0.00 -0.52 0.00 0.00 52.55 52.46 1a5u s ASP 4833Cb -0.48 -1.20 1.79 0.00 -1.46 0.00 0.00 42.92 41.57 1a5u s ASP 4833CO 0.32 -0.10 2.11 0.16 0.52 0.00 0.00 175.17 178.18 1a5u h ILE 4834N 6.22 0.00 -0.50 4.11 3.07 -2.04 -0.30 117.51 128.07 1a5u h ILE 4834Ca -0.33 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 65.85 1a5u h ILE 4834Cb 1.12 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 1a5u h ILE 4834CO 0.50 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 178.07 1a5u n ASP 4835N -2.97 3.46 -4.64 2.16 8.00 -1.26 -4.82 116.55 116.47 1a5u n ASP 4835Ca -0.01 -1.98 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 1a5u n ASP 4835Cb 0.18 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 1a5u n ASP 4835CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a5u s SER 4836N -1.29 6.52 -0.02 -2.24 0.15 -0.12 -4.67 113.70 112.02 1a5u s SER 4836Ca 0.42 0.62 -0.28 0.00 0.70 0.00 0.00 55.95 57.41 1a5u s SER 4836Cb 0.23 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1a5u s SER 4836CO 0.31 -0.23 0.92 0.00 1.20 0.00 0.00 173.24 175.44 1a5u s ALA 4837N 1.92 3.21 0.66 5.45 0.00 -0.70 -4.43 121.76 127.88 1a5u s ALA 4837Ca 0.23 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.54 1a5u s ALA 4837Cb -0.15 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1a5u s ALA 4837CO 0.09 -0.22 1.02 -1.25 0.00 0.00 0.00 175.76 175.40 1a5u s PRO 4838N 1.02 2.85 0.95 0.00 0.04 -1.26 0.19 135.00 138.79 1a5u s PRO 4838Ca 0.49 0.25 -0.16 0.00 0.04 0.00 0.00 61.00 61.62 1a5u s PRO 4838Cb -0.20 -2.12 0.19 0.00 0.04 0.00 0.00 34.50 32.41 1a5u s PRO 4838CO 0.25 -0.92 1.31 0.96 0.04 0.00 0.00 177.00 178.65 1a5u s ILE 4839N -3.21 2.00 0.05 0.56 -4.36 -1.26 -4.84 121.20 110.14 1a5u s ILE 4839Ca 0.57 -0.01 -0.08 0.00 -0.26 0.00 0.00 60.65 60.87 1a5u s ILE 4839Cb -0.11 -3.00 -0.31 0.00 1.25 0.00 0.00 42.46 40.30 1a5u s ILE 4839CO 0.49 0.00 1.05 0.71 0.24 0.00 0.00 174.94 177.43 1a5u h THR 4840N -1.61 1.37 -3.02 8.37 1.35 -1.97 -3.46 112.91 113.95 1a5u h THR 4840Ca -0.44 -2.90 -0.53 0.00 -0.55 0.00 0.00 66.41 61.98 1a5u h THR 4840Cb 1.24 2.95 0.01 0.00 -1.73 0.00 0.00 68.15 70.62 1a5u h THR 4840CO 0.39 0.86 0.72 0.00 -0.25 0.00 0.00 175.52 177.24 1a5u s ALA 4841N -2.63 3.54 -0.25 6.62 0.00 -1.26 -5.01 121.76 122.77 1a5u s ALA 4841Ca -0.07 1.00 -0.06 0.00 0.00 0.00 0.00 51.96 52.83 1a5u s ALA 4841Cb 0.06 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1a5u s ALA 4841CO 0.90 -0.65 0.04 0.50 0.00 0.00 0.00 175.76 176.55 1a5u s ARG 4842N 1.42 3.44 0.10 0.00 3.00 -1.26 -4.92 118.95 120.73 1a5u s ARG 4842Ca 0.63 -0.61 0.15 0.00 -1.00 0.00 0.00 55.73 54.90 1a5u s ARG 4842Cb -0.34 -3.23 -0.11 0.00 0.00 0.00 0.00 34.95 31.27 1a5u s ARG 4842CO 0.29 -0.25 1.00 -0.91 0.00 0.00 0.00 175.30 175.43 1a5u h ASN 4843N 8.20 0.00 -3.16 -2.12 -0.26 -1.94 -3.45 115.58 112.85 1a5u h ASN 4843Ca -0.38 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 54.80 1a5u h ASN 4843Cb 1.16 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.39 1a5u h ASN 4843CO 0.59 0.66 0.65 -0.89 -1.06 0.00 0.00 177.43 177.39 1a5u s THR 4844N -2.86 4.55 0.58 2.81 2.01 -1.26 0.87 115.64 122.33 1a5u s THR 4844Ca -0.01 1.84 -0.17 0.00 0.31 0.00 0.00 61.69 63.66 1a5u s THR 4844Cb 0.08 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1a5u s THR 4844CO 0.80 -0.02 1.10 -0.83 -0.69 0.00 0.00 174.62 174.98 1a5u s GLY 4845N 1.29 2.35 -0.19 4.40 0.00 -0.89 -4.85 107.32 109.44 1a5u s GLY 4845Ca 0.51 0.62 -0.01 0.00 0.00 0.00 0.00 44.72 45.83 1a5u s GLY 4845CO 0.18 0.96 -0.12 -0.42 0.00 0.00 0.00 173.10 173.70 1a5u s ILE 4846N -2.13 2.78 -0.25 0.90 1.01 -1.26 -1.67 121.20 120.58 1a5u s ILE 4846Ca 0.68 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1a5u s ILE 4846Cb -0.20 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1a5u s ILE 4846CO 0.33 0.49 0.11 -0.63 0.00 0.00 0.00 174.94 175.24 1a5u s ILE 4847N 1.21 4.78 -0.09 2.92 1.01 -0.27 -1.10 121.20 129.66 1a5u s ILE 4847Ca 0.02 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1a5u s ILE 4847Cb -0.14 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1a5u s ILE 4847CO -0.05 0.33 -0.14 0.00 0.00 0.00 0.00 174.94 175.09 1a5u s THR 4849N -0.22 4.93 0.16 0.00 2.01 -0.63 0.83 115.64 122.72 1a5u s THR 4849Ca 0.01 0.55 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 1a5u s THR 4849Cb -0.13 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.27 1a5u s THR 4849CO 0.03 -0.26 1.05 -0.63 -0.69 0.00 0.00 174.62 174.12 1a5u s ILE 4850N 2.60 4.05 0.00 1.82 -1.09 -1.04 -2.10 121.20 125.45 1a5u s ILE 4850Ca 0.23 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.42 1a5u s ILE 4850Cb -0.15 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1a5u s ILE 4850CO 0.14 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 1a5u n GLY 4851N 2.07 4.38 0.37 6.18 0.00 -1.20 -4.80 105.19 112.18 1a5u n GLY 4851Ca 0.02 -1.41 0.09 0.00 0.00 0.00 0.00 46.02 44.73 1a5u n GLY 4851CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u h PRO 4852N 0.00 0.77 0.00 1.61 0.13 -1.57 0.93 132.00 133.87 1a5u h PRO 4852Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1a5u h PRO 4852Cb 0.00 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 30.96 1a5u h PRO 4852CO 0.00 0.51 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 1a5u n ALA 4853N -2.42 1.70 -1.36 -0.56 0.00 -0.24 -4.08 120.51 113.55 1a5u n ALA 4853Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1a5u n ALA 4853Cb 0.36 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1a5u n ALA 4853CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a5u n SER 4854N -1.52 0.00 0.00 0.00 3.41 0.27 -4.89 113.62 110.89 1a5u n SER 4854Ca 0.04 -1.00 0.10 0.00 -0.26 0.00 0.00 58.87 57.75 1a5u n SER 4854Cb 0.18 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.60 1a5u n SER 4854CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1a5u n ARG 4855N 0.00 0.06 -2.16 4.33 1.85 0.14 -4.06 116.66 116.82 1a5u n ARG 4855Ca 0.00 0.13 -0.41 0.00 -1.00 0.00 0.00 57.85 56.57 1a5u n ARG 4855Cb 0.42 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.30 1a5u n ARG 4855CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1a5u s SER 4856N -2.91 6.84 0.44 2.89 1.04 -1.26 -4.78 113.70 115.95 1a5u s SER 4856Ca 0.12 2.59 0.18 0.00 0.48 0.00 0.00 55.95 59.32 1a5u s SER 4856Cb 0.14 -2.64 1.11 0.00 0.10 0.00 0.00 66.02 64.73 1a5u s SER 4856CO 0.37 -0.51 1.91 0.58 0.98 0.00 0.00 173.24 176.58 1a5u h VAL 4857N 3.21 0.76 -0.20 5.02 2.07 -1.88 -0.13 116.25 125.10 1a5u h VAL 4857Ca -0.48 -0.12 -0.19 0.00 0.82 0.00 0.00 66.70 66.73 1a5u h VAL 4857Cb 1.22 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1a5u h VAL 4857CO 0.69 0.07 -0.62 -0.33 0.02 0.00 0.00 177.57 177.39 1a5u h GLU 4858N 0.36 0.77 -0.54 1.57 4.39 -1.94 -2.28 114.58 116.91 1a5u h GLU 4858Ca 0.38 -0.57 -0.12 0.00 0.34 0.00 0.00 59.36 59.40 1a5u h GLU 4858Cb 0.96 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1a5u h GLU 4858CO -0.11 1.19 -0.11 1.15 -1.16 0.00 0.00 179.01 179.96 1a5u h THR 4859N 0.51 1.27 -0.61 1.13 2.02 -1.62 -2.88 112.91 112.73 1a5u h THR 4859Ca -0.02 -1.27 0.07 0.00 0.77 0.00 0.00 66.41 65.95 1a5u h THR 4859Cb 1.25 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 1a5u h THR 4859CO 0.13 0.45 0.30 -0.07 0.37 0.00 0.00 175.52 176.70 1a5u h LEU 4860N 0.91 0.41 -1.39 2.58 3.38 -0.98 0.43 115.31 120.65 1a5u h LEU 4860Ca 0.14 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1a5u h LEU 4860Cb 0.68 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1a5u h LEU 4860CO 0.05 0.27 -0.30 0.11 0.09 0.00 0.00 178.44 178.65 1a5u h LYS 4861N 0.56 0.01 -0.19 1.13 1.57 -1.30 0.21 116.57 118.55 1a5u h LYS 4861Ca 0.28 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.87 1a5u h LYS 4861Cb 0.23 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1a5u h LYS 4861CO -0.21 0.31 -0.63 0.93 -0.57 0.00 0.00 179.45 179.28 1a5u h GLU 4862N 0.01 0.67 0.15 3.15 4.39 -0.51 -0.96 114.58 121.48 1a5u h GLU 4862Ca -0.00 -0.47 0.01 0.00 0.34 0.00 0.00 59.36 59.24 1a5u h GLU 4862Cb 0.54 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1a5u h GLU 4862CO 0.04 1.09 -0.26 0.52 -1.16 0.00 0.00 179.01 179.24 1a5u h MET 4863N 0.50 -0.47 -0.06 2.33 2.86 0.11 0.35 114.93 120.55 1a5u h MET 4863Ca -0.01 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1a5u h MET 4863Cb 1.21 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.93 1a5u h MET 4863CO 0.12 -0.31 -0.20 0.82 1.06 0.00 0.00 176.91 178.40 1a5u h ILE 4864N -0.49 0.51 -0.68 -1.22 2.04 -0.59 -0.93 117.51 116.15 1a5u h ILE 4864Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 1a5u h ILE 4864Cb 0.50 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1a5u h ILE 4864CO -0.13 0.00 0.45 0.11 0.00 0.00 0.00 178.15 178.58 1a5u h LYS 4865N -0.29 0.58 0.00 2.37 1.57 -0.73 -0.93 116.57 119.14 1a5u h LYS 4865Ca 0.08 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1a5u h LYS 4865Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1a5u h LYS 4865CO -0.23 0.38 0.00 0.43 -0.57 0.00 0.00 179.45 179.47 1a5u n SER 4866N -4.48 0.30 0.00 0.86 7.64 0.12 -4.88 113.62 113.17 1a5u n SER 4866Ca 0.11 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1a5u n SER 4866Cb 0.31 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1a5u n SER 4866CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5u n GLY 4867N 0.62 0.51 3.71 0.23 0.00 -0.35 -4.33 105.19 105.57 1a5u n GLY 4867Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1a5u n GLY 4867CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a5u s MET 4868N 0.00 4.34 -0.11 1.61 -2.45 -0.77 -4.51 119.30 117.41 1a5u s MET 4868Ca 0.00 1.99 0.13 0.00 -1.25 0.00 0.00 55.69 56.56 1a5u s MET 4868Cb 0.00 -3.32 -0.18 0.00 1.25 0.00 0.00 34.83 32.58 1a5u s MET 4868CO 0.00 -0.42 0.10 0.09 1.05 0.00 0.00 175.02 175.84 1a5u n ASN 4869N 4.17 1.65 -3.86 1.11 5.03 -0.26 -4.63 115.26 118.47 1a5u n ASN 4869Ca 0.11 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.43 1a5u n ASN 4869Cb 0.43 0.99 -0.15 0.00 -1.02 0.00 0.00 39.78 40.04 1a5u n ASN 4869CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1a5u s VAL 4870N -2.46 0.07 -0.32 2.41 1.01 -0.84 -2.55 120.40 117.72 1a5u s VAL 4870Ca -0.06 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1a5u s VAL 4870Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 1a5u s VAL 4870CO 0.57 0.05 0.29 0.00 0.00 0.00 0.00 175.10 176.01 1a5u s ALA 4871N 0.28 3.51 -0.32 5.51 0.00 0.73 -0.55 121.76 130.92 1a5u s ALA 4871Ca -0.02 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 1a5u s ALA 4871Cb -0.04 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 1a5u s ALA 4871CO -0.01 -0.90 0.19 0.50 0.00 0.00 0.00 175.76 175.54 1a5u s ARG 4872N 1.88 3.43 -0.49 0.00 3.52 0.24 -0.01 118.95 127.52 1a5u s ARG 4872Ca 0.09 -0.67 -0.18 0.00 -0.13 0.00 0.00 55.73 54.85 1a5u s ARG 4872Cb -0.17 -3.66 0.06 0.00 -1.56 0.00 0.00 34.95 29.63 1a5u s ARG 4872CO 0.11 -0.41 0.53 -1.64 -0.81 0.00 0.00 175.30 173.07 1a5u s MET 4873N 1.66 3.07 -0.60 5.12 -1.94 0.04 -2.49 119.30 124.16 1a5u s MET 4873Ca 0.05 -1.05 -0.27 0.00 -1.71 0.00 0.00 55.69 52.71 1a5u s MET 4873Cb -0.17 -4.10 0.03 0.00 2.01 0.00 0.00 34.83 32.60 1a5u s MET 4873CO 0.08 -1.12 1.16 1.21 -0.01 0.00 0.00 175.02 176.34 1a5u s ASN 4874N 2.59 6.39 0.00 3.03 2.47 -1.26 -0.32 114.94 127.83 1a5u s ASN 4874Ca 0.11 -0.05 0.22 0.00 0.42 0.00 0.00 52.86 53.55 1a5u s ASN 4874Cb -0.21 -2.53 1.26 0.00 -1.45 0.00 0.00 41.25 38.32 1a5u s ASN 4874CO 0.10 -1.49 1.69 0.49 -3.72 0.00 0.00 177.10 174.18 1a5u n PHE 4875N 8.40 0.00 -0.18 0.43 3.01 0.72 -3.38 117.46 126.45 1a5u n PHE 4875Ca 0.07 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.69 1a5u n PHE 4875Cb 0.49 -0.07 0.51 0.00 -0.01 0.00 0.00 39.48 40.40 1a5u n PHE 4875CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a5u h SER 4876N 0.00 0.38 -4.53 4.37 0.02 -1.85 -3.41 113.55 108.53 1a5u h SER 4876Ca 0.00 0.03 -0.33 0.00 -0.84 0.00 0.00 61.79 60.64 1a5u h SER 4876Cb 0.05 -0.05 -0.15 0.00 0.14 0.00 0.00 62.40 62.40 1a5u h SER 4876CO 0.00 0.18 -0.63 -1.00 -1.14 0.00 0.00 176.83 174.25 1a5u s HIS 4877N -5.40 1.45 0.05 3.45 3.76 -1.22 -5.00 115.29 112.39 1a5u s HIS 4877Ca -0.08 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 53.68 1a5u s HIS 4877Cb 0.21 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 33.06 1a5u s HIS 4877CO 0.77 -0.32 0.00 0.41 -0.85 0.00 0.00 174.74 174.76 1a5u n GLY 4878N -0.41 -2.96 3.95 -2.22 0.00 -1.26 -4.93 105.19 97.36 1a5u n GLY 4878Ca -0.01 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 1a5u n GLY 4878CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5u s THR 4879N -3.52 2.22 0.26 2.61 -4.23 -1.26 -4.88 115.64 106.84 1a5u s THR 4879Ca 0.00 -0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1a5u s THR 4879Cb 0.00 -2.91 0.19 0.00 1.34 0.00 0.00 72.50 71.13 1a5u s THR 4879CO 0.00 0.00 1.85 0.45 -0.54 0.00 0.00 174.62 176.38 1a5u h HIS 4880N -0.73 1.07 -0.59 3.99 -0.00 -1.99 -0.54 115.15 116.36 1a5u h HIS 4880Ca -0.43 -0.05 -0.10 0.00 -0.00 0.00 0.00 60.37 59.80 1a5u h HIS 4880Cb 1.29 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 28.35 1a5u h HIS 4880CO -0.04 0.78 -0.02 1.49 -0.00 0.00 0.00 177.93 180.15 1a5u h GLU 4881N 1.06 1.05 0.52 2.45 4.81 -1.99 0.26 114.58 122.75 1a5u h GLU 4881Ca 0.26 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1a5u h GLU 4881Cb 0.12 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1a5u h GLU 4881CO -0.03 1.04 -0.29 -0.92 -0.73 0.00 0.00 179.01 178.07 1a5u h TYR 4882N 0.94 -0.77 -0.01 0.92 3.20 -1.74 -1.56 116.97 117.95 1a5u h TYR 4882Ca 0.16 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1a5u h TYR 4882Cb 0.58 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1a5u h TYR 4882CO 0.04 -0.46 -0.24 0.45 -1.64 0.00 0.00 178.16 176.31 1a5u h HIS 4883N -0.77 0.03 -0.23 -3.82 3.86 -1.00 -0.61 115.15 112.61 1a5u h HIS 4883Ca -0.06 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.05 1a5u h HIS 4883Cb 0.61 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1a5u h HIS 4883CO -0.07 0.26 -0.26 0.00 0.86 0.00 0.00 177.93 178.72 1a5u h ALA 4884N 1.74 1.13 0.15 2.45 0.00 -0.60 -1.70 119.26 122.43 1a5u h ALA 4884Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1a5u h ALA 4884Cb 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a5u h ALA 4884CO 0.03 0.55 -0.07 1.49 0.00 0.00 0.00 179.25 181.25 1a5u h GLU 4885N 0.39 -0.20 -0.62 0.00 4.81 -0.12 -2.28 114.58 116.57 1a5u h GLU 4885Ca 0.06 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1a5u h GLU 4885Cb 0.66 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.98 1a5u h GLU 4885CO 0.05 0.05 -0.09 1.15 -0.73 0.00 0.00 179.01 179.44 1a5u h THR 4886N -0.44 0.42 -0.85 0.32 2.02 -1.10 0.88 112.91 114.17 1a5u h THR 4886Ca -0.02 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1a5u h THR 4886Cb 0.34 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1a5u h THR 4886CO 0.03 0.01 0.54 0.40 0.37 0.00 0.00 175.52 176.88 1a5u h ILE 4887N 0.04 1.13 0.35 3.11 1.08 -1.22 0.86 117.51 122.86 1a5u h ILE 4887Ca 0.31 -0.36 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1a5u h ILE 4887Cb 0.49 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1a5u h ILE 4887CO -0.59 0.19 -0.17 0.50 -0.69 0.00 0.00 178.15 177.39 1a5u h LYS 4888N 1.05 -0.45 -0.54 2.37 3.64 -0.55 -0.11 116.57 121.97 1a5u h LYS 4888Ca 0.34 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.84 1a5u h LYS 4888Cb 0.02 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 1a5u h LYS 4888CO -0.12 -0.27 0.18 -0.91 -2.27 0.00 0.00 179.45 176.06 1a5u h ASN 4889N -0.52 0.15 -0.97 4.20 -0.26 -0.40 0.48 115.58 118.27 1a5u h ASN 4889Ca -0.05 0.08 0.11 0.00 -0.56 0.00 0.00 56.30 55.88 1a5u h ASN 4889Cb 0.39 0.07 -0.08 0.00 -1.06 0.00 0.00 38.32 37.64 1a5u h ASN 4889CO 0.08 0.10 0.60 0.58 -1.06 0.00 0.00 177.43 177.73 1a5u h VAL 4890N 0.34 0.92 -0.12 2.81 2.07 -0.62 -1.09 116.25 120.56 1a5u h VAL 4890Ca 0.27 -0.33 -0.23 0.00 0.82 0.00 0.00 66.70 67.23 1a5u h VAL 4890Cb 0.33 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1a5u h VAL 4890CO -0.29 0.17 -0.82 0.03 0.02 0.00 0.00 177.57 176.68 1a5u h ARG 4891N 0.95 0.76 0.08 1.57 3.08 0.10 -2.50 114.38 118.44 1a5u h ARG 4891Ca 0.48 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1a5u h ARG 4891Cb 0.46 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1a5u h ARG 4891CO -0.26 1.26 -0.08 1.15 -1.07 0.00 0.00 179.97 180.97 1a5u h THR 4892N 0.49 0.81 -0.47 2.04 2.02 -0.43 -0.02 112.91 117.35 1a5u h THR 4892Ca -0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1a5u h THR 4892Cb 1.46 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 68.62 1a5u h THR 4892CO 0.17 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.21 1a5u h ALA 4893N 0.72 0.55 0.25 6.16 0.00 -1.29 -1.29 119.26 124.36 1a5u h ALA 4893Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1a5u h ALA 4893Cb 0.18 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1a5u h ALA 4893CO -0.03 -0.25 -0.34 1.15 0.00 0.00 0.00 179.25 179.79 1a5u h THR 4894N 0.31 0.29 0.00 0.00 2.02 -0.96 -1.91 112.91 112.67 1a5u h THR 4894Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1a5u h THR 4894Cb 0.24 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1a5u h THR 4894CO -0.24 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.32 1a5u h GLU 4895N -0.65 0.00 0.00 6.66 4.39 -0.80 -2.01 114.58 122.17 1a5u h GLU 4895Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1a5u h GLU 4895Cb 0.62 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1a5u h GLU 4895CO -0.12 0.00 -0.07 0.66 -1.16 0.00 0.00 179.01 178.32 1a5u h SER 4896N 0.00 0.00 0.05 1.42 4.64 -0.38 -0.55 113.55 118.73 1a5u h SER 4896Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a5u h SER 4896Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1a5u h SER 4896CO 0.00 0.07 -0.12 0.49 -0.87 0.00 0.00 176.83 176.39 1a5u n PHE 4897N -3.58 0.00 0.40 4.77 3.72 -0.75 -4.17 117.46 117.85 1a5u n PHE 4897Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 1a5u n PHE 4897Cb 0.18 -0.03 0.37 0.00 -0.94 0.00 0.00 39.48 39.06 1a5u n PHE 4897CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a5u n ALA 4898N 0.12 1.58 -0.20 4.37 0.00 -0.22 -3.05 120.51 123.12 1a5u n ALA 4898Ca 0.15 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.65 1a5u n ALA 4898Cb 0.41 -1.28 0.31 0.00 0.00 0.00 0.00 19.45 18.88 1a5u n ALA 4898CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a5u h SER 4899N 0.00 0.75 -3.70 0.00 4.64 -1.75 -3.32 113.55 110.17 1a5u h SER 4899Ca 0.00 -0.01 -0.73 0.00 -0.47 0.00 0.00 61.79 60.59 1a5u h SER 4899Cb 0.26 -0.17 -0.33 0.00 -0.31 0.00 0.00 62.40 61.85 1a5u h SER 4899CO 0.00 0.51 -0.08 -0.62 -0.87 0.00 0.00 176.83 175.78 1a5u s ASP 4900N -6.27 6.05 0.50 4.97 2.15 -1.17 -4.97 116.67 117.93 1a5u s ASP 4900Ca -0.10 -3.29 0.20 0.00 0.43 0.00 0.00 52.55 49.79 1a5u s ASP 4900Cb 0.19 -1.98 0.68 0.00 -0.30 0.00 0.00 42.92 41.51 1a5u s ASP 4900CO 0.78 -0.31 1.04 -2.65 -0.17 0.00 0.00 175.17 173.85 1a5u n PRO 4901N 2.97 0.01 0.02 4.34 -0.02 -1.25 -1.21 135.00 139.86 1a5u n PRO 4901Ca 0.17 0.83 -0.02 0.00 -2.02 0.00 0.00 63.50 62.46 1a5u n PRO 4901Cb 0.39 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 1a5u n PRO 4901CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1a5u h ILE 4902N 0.00 0.00 0.00 4.25 1.08 -1.93 -3.36 117.51 117.55 1a5u h ILE 4902Ca 0.37 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1a5u h ILE 4902Cb 2.35 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1a5u h ILE 4902CO -0.00 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.64 1a5u n LEU 4903N -3.53 1.20 -4.81 1.44 4.77 -0.35 -4.82 117.00 110.90 1a5u n LEU 4903Ca -0.01 -0.60 -0.37 0.00 -0.03 0.00 0.00 56.01 55.00 1a5u n LEU 4903Cb 0.04 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1a5u n LEU 4903CO 0.03 0.26 0.41 -0.47 -1.33 0.00 0.00 177.39 176.29 1a5u s TYR 4904N -0.76 3.71 -0.19 -1.77 5.04 -1.05 -4.93 117.35 117.40 1a5u s TYR 4904Ca 0.00 1.42 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 1a5u s TYR 4904Cb 0.00 -2.63 0.04 0.00 0.35 0.00 0.00 41.96 39.72 1a5u s TYR 4904CO 0.00 0.40 -0.08 1.03 -1.34 0.00 0.00 175.55 175.55 1a5u s ARG 4905N -1.74 1.79 0.40 4.97 3.00 -1.26 -4.98 118.95 121.13 1a5u s ARG 4905Ca 0.40 -0.71 -0.27 0.00 0.00 0.00 0.00 55.73 55.15 1a5u s ARG 4905Cb -0.18 -2.25 -0.10 0.00 0.00 0.00 0.00 34.95 32.41 1a5u s ARG 4905CO 0.22 -0.43 1.48 -2.14 0.00 0.00 0.00 175.30 174.43 1a5u s PRO 4906N 1.49 4.00 -0.07 3.54 0.02 -1.26 -4.98 135.00 137.74 1a5u s PRO 4906Ca -0.00 2.56 0.02 0.00 0.02 0.00 0.00 61.00 63.59 1a5u s PRO 4906Cb -0.16 -2.89 0.02 0.00 0.02 0.00 0.00 34.50 31.49 1a5u s PRO 4906CO -0.08 -0.62 -0.10 0.08 -0.33 0.00 0.00 177.00 175.95 1a5u s VAL 4907N -1.14 1.01 0.23 3.83 1.01 -1.26 -4.89 120.40 119.19 1a5u s VAL 4907Ca 0.55 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1a5u s VAL 4907Cb -0.46 -0.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.89 1a5u s VAL 4907CO 0.62 0.33 0.55 0.00 0.00 0.00 0.00 175.10 176.61 1a5u s ALA 4908N 0.88 3.56 -0.28 5.51 0.00 -1.06 -4.89 121.76 125.49 1a5u s ALA 4908Ca -0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 1a5u s ALA 4908Cb -0.15 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1a5u s ALA 4908CO 0.01 0.50 0.06 0.08 0.00 0.00 0.00 175.76 176.42 1a5u s VAL 4909N -1.80 3.91 0.06 0.00 1.01 -1.26 -0.19 120.40 122.12 1a5u s VAL 4909Ca 0.47 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1a5u s VAL 4909Cb -0.11 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1a5u s VAL 4909CO 0.21 0.15 -0.04 0.00 0.00 0.00 0.00 175.10 175.42 1a5u s ALA 4910N 1.50 3.16 -0.20 5.51 0.00 0.98 -0.33 121.76 132.38 1a5u s ALA 4910Ca 0.03 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1a5u s ALA 4910Cb -0.17 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.84 1a5u s ALA 4910CO 0.02 0.66 -0.17 -1.17 0.00 0.00 0.00 175.76 175.10 1a5u s LEU 4911N -1.98 2.45 -0.36 0.00 0.20 -0.81 -0.78 118.68 117.40 1a5u s LEU 4911Ca 0.22 -0.81 -0.13 0.00 0.69 0.00 0.00 54.13 54.10 1a5u s LEU 4911Cb -0.11 -1.50 -0.00 0.00 -0.43 0.00 0.00 46.19 44.14 1a5u s LEU 4911CO 0.14 -0.04 0.24 -0.62 -0.29 0.00 0.00 176.35 175.78 1a5u s ASP 4912N 1.25 5.99 0.54 3.68 -1.08 0.57 0.19 116.67 127.81 1a5u s ASP 4912Ca 0.02 -0.60 -0.19 0.00 -0.52 0.00 0.00 52.55 51.26 1a5u s ASP 4912Cb -0.15 -2.12 -0.06 0.00 -1.46 0.00 0.00 42.92 39.13 1a5u s ASP 4912CO -0.11 -0.30 1.11 0.42 0.52 0.00 0.00 175.17 176.82 1a5u s THR 4913N 1.69 3.29 0.12 1.71 -4.23 -0.19 -0.20 115.64 117.82 1a5u s THR 4913Ca 0.05 0.79 -0.18 0.00 -1.18 0.00 0.00 61.69 61.18 1a5u s THR 4913Cb -0.18 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1a5u s THR 4913CO 0.10 -0.18 1.66 0.50 -0.54 0.00 0.00 174.62 176.16 1a5u h LYS 4914N 1.22 0.46 -0.47 3.99 3.64 -1.91 -3.37 116.57 120.12 1a5u h LYS 4914Ca -0.50 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1a5u h LYS 4914Cb 1.25 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1a5u h LYS 4914CO 0.57 0.46 -0.10 0.41 -2.27 0.00 0.00 179.45 178.53 1a5u n GLY 4915N -0.75 -1.66 3.76 5.01 0.00 -1.26 -4.90 105.19 105.39 1a5u n GLY 4915Ca -0.02 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 1a5u n GLY 4915CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1a5u s PRO 4916N -1.62 3.77 -0.01 1.61 0.02 -1.26 -4.75 135.00 132.77 1a5u s PRO 4916Ca 0.00 2.08 -0.05 0.00 0.02 0.00 0.00 61.00 63.05 1a5u s PRO 4916Cb 0.00 -2.58 -0.00 0.00 0.02 0.00 0.00 34.50 31.94 1a5u s PRO 4916CO 0.00 -0.63 0.09 -1.21 -0.33 0.00 0.00 177.00 174.92 1a5u s GLU 4917N -2.47 0.34 -0.20 5.54 2.02 -1.26 -5.00 118.70 117.68 1a5u s GLU 4917Ca 0.61 -0.30 -0.02 0.00 0.02 0.00 0.00 54.97 55.28 1a5u s GLU 4917Cb -0.36 0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.00 1a5u s GLU 4917CO 0.45 -0.07 -0.08 0.42 0.02 0.00 0.00 175.26 176.00 1a5u s ILE 4918N -1.00 3.14 0.15 -1.63 1.01 -1.26 -4.96 121.20 116.64 1a5u s ILE 4918Ca -0.11 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1a5u s ILE 4918Cb -0.06 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1a5u s ILE 4918CO 0.01 0.46 -0.11 -0.13 0.00 0.00 0.00 174.94 175.17 1a5u s ARG 4919N 1.22 1.08 0.76 2.79 1.81 -1.26 -0.30 118.95 125.06 1a5u s ARG 4919Ca 0.02 -1.45 -0.07 0.00 -1.72 0.00 0.00 55.73 52.51 1a5u s ARG 4919Cb -0.14 -0.68 0.11 0.00 -0.45 0.00 0.00 34.95 33.78 1a5u s ARG 4919CO -0.03 0.09 1.07 0.95 -0.68 0.00 0.00 175.30 176.70 1a5u s THR 4920N -3.24 2.19 0.00 0.02 -4.23 0.01 -1.76 115.64 108.63 1a5u s THR 4920Ca 0.17 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1a5u s THR 4920Cb 0.02 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1a5u s THR 4920CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1a5u n GLY 4921N -3.07 1.65 3.86 3.99 0.00 -0.79 -3.23 105.19 107.60 1a5u n GLY 4921Ca 0.12 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 1a5u n GLY 4921CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5u s LEU 4922N 0.00 4.32 0.01 0.99 1.43 -0.90 -0.28 118.68 124.25 1a5u s LEU 4922Ca 0.00 0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 1a5u s LEU 4922Cb 0.00 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1a5u s LEU 4922CO 0.00 0.40 1.31 -0.63 0.23 0.00 0.00 176.35 177.67 1a5u s ILE 4923N -1.00 3.86 0.00 -0.59 -1.09 -1.25 -0.31 121.20 120.82 1a5u s ILE 4923Ca 0.15 1.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1a5u s ILE 4923Cb -0.12 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1a5u s ILE 4923CO 0.04 0.03 0.00 0.29 -1.23 0.00 0.00 174.94 174.07 1a5u n LYS 4924N 4.90 0.00 0.00 2.79 5.02 0.79 -1.61 118.16 130.05 1a5u n LYS 4924Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1a5u n LYS 4924Cb 0.45 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1a5u n LYS 4924CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a5u n GLY 4925N -0.74 1.00 3.90 0.72 0.00 -0.78 -4.88 105.19 104.42 1a5u n GLY 4925Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1a5u n GLY 4925CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 4926N -1.83 6.44 0.00 1.61 0.01 -0.63 -4.93 113.70 114.36 1a5u s SER 4926Ca 0.00 0.76 0.24 0.00 1.31 0.00 0.00 55.95 58.26 1a5u s SER 4926Cb 0.00 -2.17 0.27 0.00 0.21 0.00 0.00 66.02 64.34 1a5u s SER 4926CO 0.00 -0.25 1.25 0.61 0.41 0.00 0.00 173.24 175.26 1a5u n GLY 4927N -1.11 -0.95 0.00 3.44 0.00 -1.26 -3.94 105.19 101.38 1a5u n GLY 4927Ca -0.01 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1a5u n GLY 4927CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5u n THR 4928N -1.22 0.00 -2.47 2.61 -2.24 -1.26 -4.57 114.28 105.13 1a5u n THR 4928Ca 0.06 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 1a5u n THR 4928Cb 0.35 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 1a5u n THR 4928CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u s ALA 4929N -2.64 2.87 0.00 6.98 0.00 -1.26 -4.97 121.76 122.74 1a5u s ALA 4929Ca -0.02 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1a5u s ALA 4929Cb 0.08 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 1a5u s ALA 4929CO 0.50 -0.42 -0.01 -1.21 0.00 0.00 0.00 175.76 174.62 1a5u s GLU 4930N -3.12 0.07 0.26 0.00 2.02 -1.26 -4.06 118.70 112.61 1a5u s GLU 4930Ca 0.67 -0.06 0.12 0.00 0.02 0.00 0.00 54.97 55.72 1a5u s GLU 4930Cb -0.19 -0.05 -0.05 0.00 0.10 0.00 0.00 34.13 33.94 1a5u s GLU 4930CO 0.23 0.01 -0.20 0.08 0.02 0.00 0.00 175.26 175.40 1a5u s VAL 4931N -0.09 2.50 -0.37 2.63 1.01 -0.70 -4.90 120.40 120.47 1a5u s VAL 4931Ca -0.01 -2.28 -0.17 0.00 0.00 0.00 0.00 61.98 59.53 1a5u s VAL 4931Cb -0.01 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1a5u s VAL 4931CO -0.00 -0.32 0.45 -0.70 0.00 0.00 0.00 175.10 174.53 1a5u s GLU 4932N -3.29 3.45 -0.43 2.72 -6.30 -1.26 -0.72 118.70 112.87 1a5u s GLU 4932Ca 0.28 -0.41 -0.20 0.00 -2.50 0.00 0.00 54.97 52.14 1a5u s GLU 4932Cb -0.06 -3.86 0.02 0.00 0.00 0.00 0.00 34.13 30.24 1a5u s GLU 4932CO 0.14 -0.68 0.59 -0.51 0.02 0.00 0.00 175.26 174.82 1a5u s LEU 4933N 2.22 4.56 0.09 2.70 1.43 0.39 -4.91 118.68 125.17 1a5u s LEU 4933Ca 0.15 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 1a5u s LEU 4933Cb -0.16 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.35 1a5u s LEU 4933CO 0.13 -0.71 0.39 -0.54 0.23 0.00 0.00 176.35 175.84 1a5u s LYS 4934N 2.65 3.71 0.43 1.70 1.02 -1.26 -1.12 119.74 126.87 1a5u s LYS 4934Ca 0.20 0.10 -0.26 0.00 0.02 0.00 0.00 55.97 56.03 1a5u s LYS 4934Cb -0.15 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.11 1a5u s LYS 4934CO 0.17 0.54 1.41 0.21 -0.92 0.00 0.00 175.35 176.76 1a5u s LYS 4935N -2.07 3.81 0.00 1.68 2.20 -1.26 -1.98 119.74 122.13 1a5u s LYS 4935Ca 0.34 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1a5u s LYS 4935Cb -0.13 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1a5u s LYS 4935CO 0.19 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 1a5u n GLY 4936N 0.59 2.87 3.39 5.54 0.00 0.15 -4.95 105.19 112.77 1a5u n GLY 4936Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1a5u n GLY 4936CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 4937N -1.28 -0.66 0.01 4.61 0.00 -0.84 -4.56 121.76 119.05 1a5u s ALA 4937Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1a5u s ALA 4937Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 1a5u s ALA 4937CO 0.00 -4.28 -0.24 0.99 0.00 0.00 0.00 175.76 172.22 1a5u s THR 4938N -2.37 2.24 -0.06 0.00 2.01 -1.26 -0.61 115.64 115.59 1a5u s THR 4938Ca 0.69 -1.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 1a5u s THR 4938Cb -0.18 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.52 1a5u s THR 4938CO 0.61 0.48 0.15 -0.22 -0.69 0.00 0.00 174.62 174.95 1a5u s LEU 4939N -0.93 1.18 -0.15 4.42 2.96 -0.69 -4.73 118.68 120.73 1a5u s LEU 4939Ca 0.11 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1a5u s LEU 4939Cb -0.10 0.47 -0.02 0.00 0.50 0.00 0.00 46.19 47.04 1a5u s LEU 4939CO 0.01 -0.09 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.13 1a5u s LYS 4940N 0.46 3.53 -0.15 1.98 2.20 -0.90 -0.48 119.74 126.37 1a5u s LYS 4940Ca -0.03 -0.60 -0.18 0.00 -0.36 0.00 0.00 55.97 54.80 1a5u s LYS 4940Cb -0.05 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1a5u s LYS 4940CO -0.02 0.18 0.48 0.42 -0.36 0.00 0.00 175.35 176.05 1a5u s ILE 4941N 0.49 5.16 0.19 5.43 1.09 0.18 -0.82 121.20 132.92 1a5u s ILE 4941Ca -0.06 0.93 0.11 0.00 -1.10 0.00 0.00 60.65 60.53 1a5u s ILE 4941Cb -0.15 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.39 1a5u s ILE 4941CO 0.03 0.27 -0.23 -0.89 -0.10 0.00 0.00 174.94 174.02 1a5u s THR 4942N 1.02 2.30 -1.39 2.92 2.01 0.11 -0.71 115.64 121.89 1a5u s THR 4942Ca 0.25 -2.02 0.13 0.00 0.31 0.00 0.00 61.69 60.35 1a5u s THR 4942Cb -0.15 -2.09 0.05 0.00 0.01 0.00 0.00 72.50 70.32 1a5u s THR 4942CO 0.10 -0.14 0.82 0.18 -0.69 0.00 0.00 174.62 174.89 1a5u n LEU 4943N 0.27 1.74 -4.55 4.42 4.77 -0.24 -3.20 117.00 120.21 1a5u n LEU 4943Ca -0.13 -0.89 -0.38 0.00 -0.03 0.00 0.00 56.01 54.59 1a5u n LEU 4943Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1a5u n LEU 4943CO 0.29 0.33 1.66 -0.62 -1.33 0.00 0.00 177.39 177.72 1a5u s ASP 4944N -1.32 5.16 0.62 -1.43 -1.08 -1.26 -4.89 116.67 112.48 1a5u s ASP 4944Ca 0.13 0.42 0.27 0.00 -0.52 0.00 0.00 52.55 52.85 1a5u s ASP 4944Cb 0.10 -2.53 1.40 0.00 -1.46 0.00 0.00 42.92 40.44 1a5u s ASP 4944CO 0.23 -2.45 1.81 0.78 0.52 0.00 0.00 175.17 176.06 1a5u h ASN 4945N 15.51 0.00 -0.01 -0.34 4.21 -1.94 0.28 115.58 133.28 1a5u h ASN 4945Ca -0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.26 1a5u h ASN 4945Cb 1.17 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.37 1a5u h ASN 4945CO 1.21 0.00 0.06 0.00 -1.29 0.00 0.00 177.43 177.41 1a5u h ALA 4946N 1.26 1.14 -0.01 -0.83 0.00 -2.02 0.16 119.26 118.96 1a5u h ALA 4946Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1a5u h ALA 4946Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a5u h ALA 4946CO -0.00 -0.06 -0.60 0.66 0.00 0.00 0.00 179.25 179.25 1a5u n TYR 4947N -3.16 0.00 -0.32 0.00 4.01 0.98 -4.54 117.16 114.13 1a5u n TYR 4947Ca -0.03 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 57.92 1a5u n TYR 4947Cb 0.13 -0.01 0.40 0.00 -0.31 0.00 0.00 39.34 39.55 1a5u n TYR 4947CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 1a5u n MET 4948N -0.43 -0.07 -0.60 -0.72 1.56 0.56 -0.20 117.12 117.22 1a5u n MET 4948Ca 0.08 1.39 0.03 0.00 -0.27 0.00 0.00 57.70 58.93 1a5u n MET 4948Cb 0.43 -2.32 0.23 0.00 2.15 0.00 0.00 33.22 33.71 1a5u n MET 4948CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1a5u n GLU 4949N -5.32 2.49 -2.89 2.12 1.02 -1.26 -2.12 120.64 114.69 1a5u n GLU 4949Ca 0.28 -2.97 -0.16 0.00 -0.02 0.00 0.00 57.16 54.29 1a5u n GLU 4949Cb 0.94 -1.85 -0.01 0.00 -0.02 0.00 0.00 31.44 30.51 1a5u n GLU 4949CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a5u n LYS 4950N -0.77 1.53 -2.96 3.49 5.02 0.72 -1.86 118.16 123.33 1a5u n LYS 4950Ca 0.27 -3.61 -0.36 0.00 -2.02 0.00 0.00 58.31 52.59 1a5u n LYS 4950Cb 0.98 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 34.28 1a5u n LYS 4950CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a5u n ASP 4952N 0.56 -0.41 0.00 0.00 5.68 0.14 -0.15 116.55 122.37 1a5u n ASP 4952Ca -0.00 -1.41 0.07 0.00 -0.50 0.00 0.00 54.79 52.95 1a5u n ASP 4952Cb 0.51 0.72 0.38 0.00 -1.14 0.00 0.00 41.12 41.59 1a5u n ASP 4952CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1a5u n GLU 4953N -0.13 0.30 -0.05 0.11 0.00 -1.26 -2.73 120.64 116.88 1a5u n GLU 4953Ca -0.01 0.10 -0.07 0.00 0.00 0.00 0.00 57.16 57.18 1a5u n GLU 4953Cb 0.14 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.02 1a5u n GLU 4953CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1a5u n ASN 4954N -1.17 3.04 -4.07 -1.84 3.02 -1.26 -4.67 115.26 108.30 1a5u n ASN 4954Ca 0.08 -0.04 -0.23 0.00 -0.03 0.00 0.00 54.58 54.37 1a5u n ASN 4954Cb 0.09 0.11 -0.16 0.00 -0.61 0.00 0.00 39.78 39.22 1a5u n ASN 4954CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a5u s ILE 4955N -2.22 1.06 -0.05 2.41 -1.09 -1.10 -2.12 121.20 118.09 1a5u s ILE 4955Ca -0.12 -0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 57.77 1a5u s ILE 4955Cb 0.03 -0.91 0.03 0.00 -1.58 0.00 0.00 42.46 40.03 1a5u s ILE 4955CO 0.29 0.31 0.02 -0.22 -1.23 0.00 0.00 174.94 174.11 1a5u s LEU 4956N 0.02 0.68 -0.08 2.97 2.96 0.00 0.26 118.68 125.49 1a5u s LEU 4956Ca -0.01 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1a5u s LEU 4956Cb -0.09 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 1a5u s LEU 4956CO 0.01 -0.17 0.10 0.86 -1.32 0.00 0.00 176.35 175.83 1a5u s TRP 4957N 1.66 3.44 0.22 5.38 -0.00 -1.26 0.04 118.94 128.42 1a5u s TRP 4957Ca -0.01 0.38 0.00 0.00 -0.00 0.00 0.00 56.10 56.48 1a5u s TRP 4957Cb -0.13 -1.86 -0.04 0.00 -0.00 0.00 0.00 33.47 31.44 1a5u s TRP 4957CO -0.03 0.64 0.14 -0.48 -0.00 0.00 0.00 176.95 177.22 1a5u s LEU 4958N -1.19 1.25 0.00 5.86 0.05 -1.19 -1.89 118.68 121.58 1a5u s LEU 4958Ca 0.17 -1.43 0.23 0.00 0.05 0.00 0.00 54.13 53.16 1a5u s LEU 4958Cb -0.12 0.36 0.47 0.00 -2.05 0.00 0.00 46.19 44.85 1a5u s LEU 4958CO 0.07 -0.85 1.43 -0.90 -0.55 0.00 0.00 176.35 175.54 1a5u n ASP 4959N -0.42 3.57 -4.42 1.48 5.68 -0.72 -4.77 116.55 116.95 1a5u n ASP 4959Ca 0.02 -2.00 -0.44 0.00 -0.50 0.00 0.00 54.79 51.87 1a5u n ASP 4959Cb 0.66 -0.29 -0.01 0.00 -1.14 0.00 0.00 41.12 40.34 1a5u n ASP 4959CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1a5u s TYR 4960N -1.41 3.61 0.48 2.11 5.04 -1.26 -4.86 117.35 121.05 1a5u s TYR 4960Ca 0.41 -2.10 0.32 0.00 -2.44 0.00 0.00 57.07 53.26 1a5u s TYR 4960Cb 0.23 -4.17 1.43 0.00 0.35 0.00 0.00 41.96 39.81 1a5u s TYR 4960CO 0.32 -1.29 1.71 0.87 -1.34 0.00 0.00 175.55 175.82 1a5u h LYS 4961N 7.43 0.12 -0.16 4.97 1.79 -1.97 0.64 116.57 129.40 1a5u h LYS 4961Ca 0.24 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1a5u h LYS 4961Cb 0.92 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1a5u h LYS 4961CO 1.13 0.08 0.00 0.09 -1.08 0.00 0.00 179.45 179.67 1a5u n ASN 4962N -4.42 2.16 -0.13 0.86 4.13 -1.26 -4.31 115.26 112.29 1a5u n ASN 4962Ca 0.32 -1.75 0.27 0.00 1.68 0.00 0.00 54.58 55.10 1a5u n ASN 4962Cb 1.33 -0.09 0.72 0.00 -1.54 0.00 0.00 39.78 40.19 1a5u n ASN 4962CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1a5u h ILE 4963N 3.03 0.43 -0.15 2.41 2.10 -0.11 0.26 117.51 125.48 1a5u h ILE 4963Ca 0.00 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.81 1a5u h ILE 4963Cb 0.66 0.51 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 1a5u h ILE 4963CO 0.00 0.00 -0.46 0.00 -1.08 0.00 0.00 178.15 176.61 1a5u h LYS 4965N 0.30 0.00 0.00 0.00 1.79 -1.27 -3.35 116.57 114.05 1a5u h LYS 4965Ca 0.02 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.26 1a5u h LYS 4965Cb 0.93 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.54 1a5u h LYS 4965CO 0.08 0.11 -2.14 1.33 -1.08 0.00 0.00 179.45 177.74 1a5u n VAL 4966N -3.13 0.92 -3.80 0.50 0.24 -1.05 -4.95 118.33 107.06 1a5u n VAL 4966Ca 0.03 -0.72 -0.32 0.00 -2.04 0.00 0.00 64.34 61.29 1a5u n VAL 4966Cb 0.55 -0.35 -0.04 0.00 -1.47 0.00 0.00 33.84 32.53 1a5u n VAL 4966CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1a5u s VAL 4967N -2.88 5.28 0.21 3.34 -7.23 -0.57 -4.66 120.40 113.89 1a5u s VAL 4967Ca -0.08 -0.15 0.10 0.00 -1.81 0.00 0.00 61.98 60.03 1a5u s VAL 4967Cb 0.09 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 1a5u s VAL 4967CO 0.85 0.11 -0.12 -1.81 -0.31 0.00 0.00 175.10 173.83 1a5u s ASP 4968N -2.41 4.07 0.41 4.85 1.11 -1.26 -4.86 116.67 118.58 1a5u s ASP 4968Ca 0.37 -0.69 -0.27 0.00 0.18 0.00 0.00 52.55 52.14 1a5u s ASP 4968Cb -0.13 -0.61 -0.10 0.00 1.07 0.00 0.00 42.92 43.16 1a5u s ASP 4968CO 0.25 0.09 1.47 0.52 1.18 0.00 0.00 175.17 178.68 1a5u n VAL 4969N -0.12 2.32 0.00 -1.27 0.31 -1.26 -0.87 118.33 117.44 1a5u n VAL 4969Ca -0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1a5u n VAL 4969Cb 0.56 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1a5u n VAL 4969CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a5u n GLY 4970N 0.50 3.23 3.82 2.92 0.00 0.13 -5.00 105.19 110.79 1a5u n GLY 4970Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1a5u n GLY 4970CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 4971N -1.07 4.72 0.11 1.61 0.01 -0.05 -4.77 113.70 114.25 1a5u s SER 4971Ca 0.00 1.27 0.07 0.00 1.31 0.00 0.00 55.95 58.60 1a5u s SER 4971Cb 0.00 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1a5u s SER 4971CO 0.00 -1.82 -0.11 -0.54 0.41 0.00 0.00 173.24 171.18 1a5u s LYS 4972N -5.20 2.09 -0.14 12.44 -0.14 -1.26 -1.32 119.74 126.20 1a5u s LYS 4972Ca 0.60 -1.06 0.02 0.00 -1.36 0.00 0.00 55.97 54.18 1a5u s LYS 4972Cb -0.14 -2.28 0.01 0.00 -1.68 0.00 0.00 37.83 33.75 1a5u s LYS 4972CO 0.54 0.50 -0.22 0.08 -0.76 0.00 0.00 175.35 175.49 1a5u s VAL 4973N -1.25 2.08 -0.12 3.17 1.01 -0.74 -3.95 120.40 120.60 1a5u s VAL 4973Ca 0.21 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1a5u s VAL 4973Cb -0.11 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1a5u s VAL 4973CO 0.14 0.55 -0.03 -0.31 0.00 0.00 0.00 175.10 175.45 1a5u s TYR 4974N 0.84 3.06 -0.02 5.22 2.02 0.16 -0.10 117.35 128.53 1a5u s TYR 4974Ca -0.06 -0.08 0.06 0.00 -0.37 0.00 0.00 57.07 56.61 1a5u s TYR 4974Cb -0.15 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 1a5u s TYR 4974CO -0.03 0.18 -0.20 0.08 -1.57 0.00 0.00 175.55 174.01 1a5u s VAL 4975N -0.18 1.58 -0.44 0.71 1.01 0.13 -0.22 120.40 122.99 1a5u s VAL 4975Ca 0.04 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1a5u s VAL 4975Cb -0.13 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1a5u s VAL 4975CO 0.02 0.45 0.59 -0.67 0.00 0.00 0.00 175.10 175.49 1a5u n ASP 4976N 2.61 -7.80 -4.31 3.32 2.03 0.21 -0.69 116.55 111.92 1a5u n ASP 4976Ca -0.15 0.48 -0.36 0.00 0.52 0.00 0.00 54.79 55.28 1a5u n ASP 4976Cb 0.53 -5.28 -0.08 0.00 -0.72 0.00 0.00 41.12 35.57 1a5u n ASP 4976CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1a5u n ASP 4977N -0.40 -0.79 0.00 1.67 9.92 -1.26 0.24 116.55 125.92 1a5u n ASP 4977Ca 0.11 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.18 1a5u n ASP 4977Cb 0.45 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 1a5u n ASP 4977CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a5u n GLY 4978N -1.55 0.41 0.15 0.44 0.00 -1.22 -4.91 105.19 98.51 1a5u n GLY 4978Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1a5u n GLY 4978CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a5u h LEU 4979N 0.00 -0.33 -9.21 0.99 5.85 0.42 -3.41 115.31 109.62 1a5u h LEU 4979Ca 0.00 0.06 -0.66 0.00 0.84 0.00 0.00 57.88 58.12 1a5u h LEU 4979Cb 0.23 0.16 -0.16 0.00 0.37 0.00 0.00 40.66 41.26 1a5u h LEU 4979CO 0.00 -0.15 -0.61 -0.63 -0.34 0.00 0.00 178.44 176.71 1a5u s ILE 4980N -6.16 4.42 -0.18 4.05 1.09 0.13 -4.75 121.20 119.78 1a5u s ILE 4980Ca -0.14 -0.20 -0.02 0.00 -1.10 0.00 0.00 60.65 59.20 1a5u s ILE 4980Cb 0.09 -2.90 -0.00 0.00 -1.06 0.00 0.00 42.46 38.59 1a5u s ILE 4980CO 0.67 0.57 -0.10 -0.55 -0.10 0.00 0.00 174.94 175.43 1a5u s SER 4981N -0.51 3.97 0.15 3.58 0.15 -0.50 0.17 113.70 120.71 1a5u s SER 4981Ca 0.09 -0.42 0.08 0.00 0.70 0.00 0.00 55.95 56.40 1a5u s SER 4981Cb -0.12 -1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1a5u s SER 4981CO 0.02 0.04 -0.09 -0.76 1.20 0.00 0.00 173.24 173.65 1a5u s LEU 4982N 1.08 3.02 -0.19 3.45 1.43 0.85 -0.46 118.68 127.86 1a5u s LEU 4982Ca 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1a5u s LEU 4982Cb -0.15 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.38 1a5u s LEU 4982CO -0.02 0.13 -0.07 -1.58 0.23 0.00 0.00 176.35 175.03 1a5u s GLN 4983N -2.59 1.73 -0.43 1.70 0.74 -0.34 -1.78 119.66 118.68 1a5u s GLN 4983Ca 0.24 -0.75 -0.27 0.00 0.05 0.00 0.00 55.36 54.63 1a5u s GLN 4983Cb -0.10 -2.30 -0.05 0.00 1.10 0.00 0.00 33.01 31.66 1a5u s GLN 4983CO 0.15 -0.46 2.25 0.08 -0.55 0.00 0.00 175.29 176.76 1a5u s VAL 4984N 1.49 3.08 -0.06 1.34 1.01 -0.44 -1.69 120.40 125.13 1a5u s VAL 4984Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1a5u s VAL 4984Cb -0.16 -3.18 -0.25 0.00 0.00 0.00 0.00 36.38 32.79 1a5u s VAL 4984CO -0.08 -0.15 0.59 0.11 0.00 0.00 0.00 175.10 175.57 1a5u h LYS 4985N 17.46 0.15 -3.04 2.72 1.79 -0.23 0.37 116.57 135.79 1a5u h LYS 4985Ca -0.29 -0.26 -0.12 0.00 -2.18 0.00 0.00 60.65 57.80 1a5u h LYS 4985Cb 1.24 0.10 -0.21 0.00 -1.58 0.00 0.00 32.23 31.78 1a5u h LYS 4985CO 1.11 0.90 -0.29 1.14 -1.08 0.00 0.00 179.45 181.23 1a5u s GLN 4986N -2.59 0.63 0.46 3.15 -2.07 -0.77 -4.87 119.66 113.60 1a5u s GLN 4986Ca -0.12 -0.13 0.07 0.00 -1.82 0.00 0.00 55.36 53.36 1a5u s GLN 4986Cb 0.07 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.28 1a5u s GLN 4986CO 0.81 -0.17 0.43 0.15 -1.32 0.00 0.00 175.29 175.19 1a5u s LYS 4987N -1.18 2.46 0.32 9.60 1.02 -1.26 0.27 119.74 130.97 1a5u s LYS 4987Ca -0.12 -1.64 -0.18 0.00 0.02 0.00 0.00 55.97 54.05 1a5u s LYS 4987Cb -0.05 -2.36 0.06 0.00 -0.52 0.00 0.00 37.83 34.96 1a5u s LYS 4987CO 0.04 -0.34 0.87 0.20 -0.92 0.00 0.00 175.35 175.19 1a5u s GLY 4988N -4.22 0.28 0.01 -3.33 0.00 -0.87 -4.87 107.32 94.31 1a5u s GLY 4988Ca 0.47 -0.60 -0.23 0.00 0.00 0.00 0.00 44.72 44.35 1a5u s GLY 4988CO 0.28 0.58 1.31 -2.55 0.00 0.00 0.00 173.10 172.72 1a5u h PRO 4989N 2.00 0.16 0.00 2.90 0.11 -2.00 -3.35 132.00 131.82 1a5u h PRO 4989Ca -0.30 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1a5u h PRO 4989Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a5u h PRO 4989CO 0.39 0.59 -0.02 -0.40 -0.21 0.00 0.00 178.00 178.35 1a5u n ASP 4990N -4.73 1.86 -3.19 -2.05 5.75 -1.26 -4.89 116.55 108.04 1a5u n ASP 4990Ca -0.07 -2.20 -0.15 0.00 -0.01 0.00 0.00 54.79 52.36 1a5u n ASP 4990Cb 0.29 -0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.23 1a5u n ASP 4990CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1a5u s PHE 4991N -1.37 1.07 -0.18 2.11 -0.12 -1.26 -1.08 117.98 117.15 1a5u s PHE 4991Ca 0.08 -1.30 -0.23 0.00 -0.05 0.00 0.00 56.93 55.43 1a5u s PHE 4991Cb 0.07 -0.07 0.06 0.00 -0.63 0.00 0.00 43.02 42.45 1a5u s PHE 4991CO 0.01 -1.16 0.61 -0.51 -0.05 0.00 0.00 175.22 174.12 1a5u s LEU 4992N -3.24 -0.33 -0.21 -1.99 1.43 0.11 -2.06 118.68 112.39 1a5u s LEU 4992Ca 0.30 1.07 -0.07 0.00 -1.03 0.00 0.00 54.13 54.40 1a5u s LEU 4992Cb -0.01 2.14 -0.03 0.00 0.03 0.00 0.00 46.19 48.32 1a5u s LEU 4992CO 0.21 -0.31 0.06 -0.69 0.23 0.00 0.00 176.35 175.85 1a5u s VAL 4993N -0.07 4.48 0.40 -1.59 1.01 0.14 -0.65 120.40 124.12 1a5u s VAL 4993Ca -0.03 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1a5u s VAL 4993Cb -0.04 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 1a5u s VAL 4993CO 0.03 0.40 0.03 0.42 0.00 0.00 0.00 175.10 175.98 1a5u s THR 4994N 0.96 1.59 -0.08 3.92 -4.23 0.37 0.54 115.64 118.72 1a5u s THR 4994Ca 0.03 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1a5u s THR 4994Cb -0.14 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 70.92 1a5u s THR 4994CO 0.03 0.00 -0.12 -0.70 -0.54 0.00 0.00 174.62 173.28 1a5u s GLU 4995N -3.78 1.80 -0.04 3.99 2.12 -0.68 -1.71 118.70 120.40 1a5u s GLU 4995Ca 0.31 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.92 1a5u s GLU 4995Cb 0.08 -1.55 -0.07 0.00 0.26 0.00 0.00 34.13 32.85 1a5u s GLU 4995CO 0.15 -0.04 1.81 0.08 -0.54 0.00 0.00 175.26 176.72 1a5u s VAL 4996N 0.91 3.32 -0.17 3.70 1.01 0.22 -1.20 120.40 128.20 1a5u s VAL 4996Ca -0.09 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 1a5u s VAL 4996Cb -0.15 -3.27 -0.15 0.00 0.00 0.00 0.00 36.38 32.82 1a5u s VAL 4996CO 0.01 -0.05 0.19 -0.08 0.00 0.00 0.00 175.10 175.16 1a5u h GLU 4997N 10.38 0.00 -4.32 2.72 4.81 -1.09 0.42 114.58 127.49 1a5u h GLU 4997Ca -0.43 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.21 1a5u h GLU 4997Cb 1.20 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.21 1a5u h GLU 4997CO 0.95 0.67 -0.79 1.21 -0.73 0.00 0.00 179.01 180.32 1a5u s ASN 4998N -6.37 3.31 0.89 1.04 3.84 -1.01 -4.65 114.94 111.97 1a5u s ASN 4998Ca -0.21 -0.89 -0.08 0.00 0.21 0.00 0.00 52.86 51.89 1a5u s ASN 4998Cb 0.03 -1.08 0.13 0.00 -0.55 0.00 0.00 41.25 39.78 1a5u s ASN 4998CO 0.47 -0.19 0.79 0.61 -2.79 0.00 0.00 177.10 175.99 1a5u n GLY 4999N 4.76 -0.77 0.00 1.21 0.00 -1.26 -1.41 105.19 107.72 1a5u n GLY 4999Ca -0.13 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1a5u n GLY 4999CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5u n GLY 5000N -0.39 -1.30 3.62 -0.02 0.00 -0.27 -4.71 105.19 102.11 1a5u n GLY 5000Ca 0.11 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1a5u n GLY 5000CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a5u s PHE 5001N -2.53 3.26 -0.05 1.61 0.40 -1.26 -0.46 117.98 118.95 1a5u s PHE 5001Ca 0.00 0.74 -0.04 0.00 -0.60 0.00 0.00 56.93 57.03 1a5u s PHE 5001Cb 0.00 -2.90 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 1a5u s PHE 5001CO 0.00 -0.38 0.14 -1.17 0.70 0.00 0.00 175.22 174.50 1a5u s LEU 5002N 2.55 4.23 0.00 -0.37 2.96 0.10 -4.89 118.68 123.26 1a5u s LEU 5002Ca 0.26 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1a5u s LEU 5002Cb -0.15 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.22 1a5u s LEU 5002CO 0.10 0.32 0.00 0.61 -1.32 0.00 0.00 176.35 176.06 1a5u n GLY 5003N 1.41 4.97 3.85 7.98 0.00 -1.26 -1.73 105.19 120.41 1a5u n GLY 5003Ca -0.15 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 1a5u n GLY 5003CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 5004N -0.26 6.79 -1.33 1.61 0.01 -1.26 -4.34 113.70 114.91 1a5u s SER 5004Ca 0.00 1.02 -0.08 0.00 1.31 0.00 0.00 55.95 58.20 1a5u s SER 5004Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1a5u s SER 5004CO 0.00 0.11 0.51 0.29 0.41 0.00 0.00 173.24 174.56 1a5u n LYS 5005N 0.80 -2.36 -2.85 12.44 5.02 0.62 -4.93 118.16 126.90 1a5u n LYS 5005Ca -0.06 0.37 -0.24 0.00 -2.02 0.00 0.00 58.31 56.36 1a5u n LYS 5005Cb 0.52 -4.19 0.01 0.00 -0.02 0.00 0.00 35.03 31.35 1a5u n LYS 5005CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a5u s LYS 5006N -6.53 3.11 0.29 1.97 -0.14 -1.26 -4.62 119.74 112.56 1a5u s LYS 5006Ca 0.16 -0.30 -0.28 0.00 -1.36 0.00 0.00 55.97 54.19 1a5u s LYS 5006Cb -0.07 -2.48 -0.09 0.00 -1.68 0.00 0.00 37.83 33.51 1a5u s LYS 5006CO 0.90 -0.33 1.03 0.20 -0.76 0.00 0.00 175.35 176.38 1a5u s GLY 5007N -4.21 3.00 0.00 -3.33 0.00 -1.26 -0.81 107.32 100.71 1a5u s GLY 5007Ca 0.49 0.74 0.08 0.00 0.00 0.00 0.00 44.72 46.04 1a5u s GLY 5007CO 0.40 1.29 -0.26 0.14 0.00 0.00 0.00 173.10 174.68 1a5u s VAL 5008N -1.29 2.05 -0.05 1.40 1.01 0.59 0.65 120.40 124.75 1a5u s VAL 5008Ca 0.46 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1a5u s VAL 5008Cb -0.27 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1a5u s VAL 5008CO 0.34 0.49 -0.07 0.20 0.00 0.00 0.00 175.10 176.07 1a5u s ASN 5009N -0.83 1.26 -0.90 3.32 0.01 0.69 -4.49 114.94 114.01 1a5u s ASN 5009Ca 0.10 -0.19 -0.04 0.00 -0.71 0.00 0.00 52.86 52.03 1a5u s ASN 5009Cb -0.10 -0.58 0.22 0.00 0.41 0.00 0.00 41.25 41.21 1a5u s ASN 5009CO 0.00 -0.03 0.80 -0.76 -1.51 0.00 0.00 177.10 175.59 1a5u s LEU 5010N 0.90 5.75 -0.13 0.60 1.02 -1.26 0.39 118.68 125.95 1a5u s LEU 5010Ca -0.11 -3.51 -0.33 0.00 0.02 0.00 0.00 54.13 50.20 1a5u s LEU 5010Cb -0.15 -1.98 -0.10 0.00 0.02 0.00 0.00 46.19 43.98 1a5u s LEU 5010CO 0.01 -0.26 2.00 -2.65 0.02 0.00 0.00 176.35 175.47 1a5u n PRO 5011N 2.67 2.11 -0.25 1.29 -0.01 -1.25 -1.53 135.00 138.02 1a5u n PRO 5011Ca 0.20 0.73 0.00 0.00 -0.01 0.00 0.00 63.50 64.41 1a5u n PRO 5011Cb 0.38 -2.78 0.00 0.00 -0.01 0.00 0.00 33.50 31.10 1a5u n PRO 5011CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1a5u n GLY 5012N 4.94 1.12 3.81 -1.23 0.00 -1.26 -4.68 105.19 107.89 1a5u n GLY 5012Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 1a5u n GLY 5012CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 5013N -2.75 3.10 -1.05 4.61 0.00 -0.58 -4.91 121.76 120.18 1a5u s ALA 5013Ca 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 1a5u s ALA 5013Cb 0.00 -3.15 0.26 0.00 0.00 0.00 0.00 23.12 20.24 1a5u s ALA 5013CO 0.00 0.15 1.02 0.00 0.00 0.00 0.00 175.76 176.93 1a5u s ALA 5014N -1.99 4.60 0.29 0.00 0.00 -1.26 -4.69 121.76 118.71 1a5u s ALA 5014Ca 0.58 -3.82 -0.30 0.00 0.00 0.00 0.00 51.96 48.42 1a5u s ALA 5014Cb -0.12 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 1a5u s ALA 5014CO 0.16 -2.19 1.57 0.28 0.00 0.00 0.00 175.76 175.58 1a5u n VAL 5015N 2.68 1.06 0.27 0.00 0.31 -1.26 -4.90 118.33 116.49 1a5u n VAL 5015Ca 0.23 -0.26 0.16 0.00 -0.01 0.00 0.00 64.34 64.45 1a5u n VAL 5015Cb 0.39 -1.90 0.61 0.00 -0.91 0.00 0.00 33.84 32.03 1a5u n VAL 5015CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1a5u h ASP 5016N 4.63 0.00 -2.49 4.52 1.82 -1.95 -3.47 116.42 119.48 1a5u h ASP 5016Ca -0.47 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 55.60 1a5u h ASP 5016Cb 1.23 0.00 0.19 0.00 0.68 0.00 0.00 39.33 41.43 1a5u h ASP 5016CO 0.78 0.03 -0.96 0.18 -1.61 0.00 0.00 179.24 177.66 1a5u n LEU 5017N -3.13 -2.19 -4.68 2.28 4.77 -1.26 -4.96 117.00 107.85 1a5u n LEU 5017Ca 0.01 0.56 -0.29 0.00 -0.03 0.00 0.00 56.01 56.25 1a5u n LEU 5017Cb 0.34 -0.99 0.20 0.00 -2.33 0.00 0.00 43.42 40.64 1a5u n LEU 5017CO 0.29 -4.30 0.66 -2.84 -1.33 0.00 0.00 177.39 169.87 1a5u s PRO 5018N -1.87 -0.09 0.14 3.23 0.02 -1.26 -4.93 135.00 130.24 1a5u s PRO 5018Ca 0.58 0.20 -0.06 0.00 0.02 0.00 0.00 61.00 61.74 1a5u s PRO 5018Cb -0.39 -1.70 -0.06 0.00 0.02 0.00 0.00 34.50 32.37 1a5u s PRO 5018CO 0.65 -3.01 1.35 0.00 -0.33 0.00 0.00 177.00 175.66 1a5u h ALA 5019N -2.09 0.43 -3.73 -1.55 0.00 -1.92 -3.45 119.26 106.95 1a5u h ALA 5019Ca -0.50 -0.63 -0.46 0.00 0.00 0.00 0.00 54.91 53.32 1a5u h ALA 5019Cb 1.31 -0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.76 1a5u h ALA 5019CO 0.49 0.74 -0.80 0.08 0.00 0.00 0.00 179.25 179.77 1a5u s VAL 5020N -3.56 0.90 1.10 0.00 1.01 -1.26 -4.76 120.40 113.82 1a5u s VAL 5020Ca -0.07 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1a5u s VAL 5020Cb 0.09 -0.81 0.27 0.00 0.00 0.00 0.00 36.38 35.93 1a5u s VAL 5020CO 0.87 0.28 1.15 -1.54 0.00 0.00 0.00 175.10 175.86 1a5u n SER 5021N 3.43 -1.24 0.04 3.32 3.41 -1.26 -4.90 113.62 116.42 1a5u n SER 5021Ca -0.20 -1.27 -0.16 0.00 -0.26 0.00 0.00 58.87 56.98 1a5u n SER 5021Cb 0.53 -0.98 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 1a5u n SER 5021CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1a5u h GLU 5022N 0.00 0.58 -0.21 4.33 4.39 -2.01 -3.03 114.58 118.63 1a5u h GLU 5022Ca -0.41 -0.58 0.02 0.00 0.34 0.00 0.00 59.36 58.73 1a5u h GLU 5022Cb 1.19 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 1a5u h GLU 5022CO 0.27 1.20 0.07 -0.22 -1.16 0.00 0.00 179.01 179.17 1a5u h LYS 5023N 0.34 0.16 -0.46 2.33 3.64 -1.98 -0.31 116.57 120.30 1a5u h LYS 5023Ca -0.09 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.41 1a5u h LYS 5023Cb 1.58 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.34 1a5u h LYS 5023CO 0.18 0.11 0.46 -0.44 -2.27 0.00 0.00 179.45 177.49 1a5u h ASP 5024N 0.17 0.00 -0.08 4.20 3.32 -1.92 0.18 116.42 122.29 1a5u h ASP 5024Ca 0.09 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 1a5u h ASP 5024Cb 0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.62 1a5u h ASP 5024CO -0.09 0.00 -0.56 0.40 -1.72 0.00 0.00 179.24 177.27 1a5u h ILE 5025N 0.00 1.37 -0.51 0.35 2.04 -0.93 -1.53 117.51 118.30 1a5u h ILE 5025Ca 0.22 -1.90 -0.12 0.00 1.00 0.00 0.00 64.86 64.05 1a5u h ILE 5025Cb 1.14 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.48 1a5u h ILE 5025CO -0.00 0.57 -0.16 1.56 0.00 0.00 0.00 178.15 180.12 1a5u h GLN 5026N 0.10 1.01 0.13 2.37 1.08 -0.53 -1.22 115.11 118.05 1a5u h GLN 5026Ca -0.05 -0.40 0.02 0.00 -1.45 0.00 0.00 58.65 56.77 1a5u h GLN 5026Cb 1.22 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.56 1a5u h GLN 5026CO 0.11 1.08 -0.30 -0.44 -0.95 0.00 0.00 178.83 178.34 1a5u h ASP 5027N 0.87 -0.87 -0.68 1.46 3.32 -0.82 0.30 116.42 120.01 1a5u h ASP 5027Ca 0.13 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.32 1a5u h ASP 5027Cb 0.73 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 1a5u h ASP 5027CO 0.06 -0.39 0.41 -0.07 -1.72 0.00 0.00 179.24 177.52 1a5u h LEU 5028N -0.53 0.65 -1.00 1.55 3.38 -1.16 0.36 115.31 118.56 1a5u h LEU 5028Ca 0.03 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1a5u h LEU 5028Cb 0.55 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1a5u h LEU 5028CO -0.17 0.44 0.65 0.50 0.09 0.00 0.00 178.44 179.95 1a5u h LYS 5029N 0.78 1.19 -0.28 1.13 3.64 -0.51 -1.89 116.57 120.64 1a5u h LYS 5029Ca 0.29 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1a5u h LYS 5029Cb 0.09 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1a5u h LYS 5029CO -0.14 0.79 -0.32 0.35 -2.27 0.00 0.00 179.45 177.87 1a5u h PHE 5030N 1.23 0.86 -0.97 1.91 3.57 0.96 -2.97 116.94 121.53 1a5u h PHE 5030Ca 0.41 -0.27 0.13 0.00 3.53 0.00 0.00 57.97 61.78 1a5u h PHE 5030Cb 0.07 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 38.55 1a5u h PHE 5030CO -0.00 1.02 0.59 0.78 -2.23 0.00 0.00 178.31 178.47 1a5u h GLY 5031N 0.45 1.60 1.50 2.40 0.00 0.27 0.63 103.07 109.93 1a5u h GLY 5031Ca 0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1a5u h GLY 5031CO 0.08 0.10 -0.21 -2.08 0.00 0.00 0.00 176.54 174.43 1a5u h VAL 5032N 0.90 1.26 -0.46 4.60 2.07 -1.35 0.14 116.25 123.41 1a5u h VAL 5032Ca 0.50 -1.23 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 1a5u h VAL 5032Cb 0.56 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1a5u h VAL 5032CO -0.29 0.40 -0.17 -0.33 0.02 0.00 0.00 177.57 177.20 1a5u h GLU 5033N 0.52 0.88 0.00 1.57 5.08 -0.77 -2.27 114.58 119.59 1a5u h GLU 5033Ca 0.08 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1a5u h GLU 5033Cb 0.64 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1a5u h GLU 5033CO 0.05 0.98 0.00 1.04 -1.00 0.00 0.00 179.01 180.08 1a5u n GLN 5034N -4.13 0.41 -3.58 2.33 1.13 0.20 -4.93 117.38 108.81 1a5u n GLN 5034Ca 0.01 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.85 1a5u n GLN 5034Cb 0.42 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.34 1a5u n GLN 5034CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a5u n ASP 5035N -1.29 -4.15 -4.64 1.08 2.03 0.41 -4.96 116.55 105.02 1a5u n ASP 5035Ca 0.14 -0.62 -0.30 0.00 0.52 0.00 0.00 54.79 54.53 1a5u n ASP 5035Cb 0.24 -4.87 0.18 0.00 -0.72 0.00 0.00 41.12 35.95 1a5u n ASP 5035CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a5u s VAL 5036N -3.37 2.30 -0.13 5.18 -7.23 -0.71 -4.96 120.40 111.50 1a5u s VAL 5036Ca 0.33 0.10 0.17 0.00 -1.81 0.00 0.00 61.98 60.77 1a5u s VAL 5036Cb -0.15 -2.28 -0.23 0.00 0.56 0.00 0.00 36.38 34.28 1a5u s VAL 5036CO 0.75 -0.13 0.42 0.47 -0.31 0.00 0.00 175.10 176.30 1a5u n ASP 5037N -4.29 0.38 -3.61 4.85 8.00 0.55 -4.86 116.55 117.57 1a5u n ASP 5037Ca 0.08 0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.65 1a5u n ASP 5037Cb 0.53 0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 42.33 1a5u n ASP 5037CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5u s MET 5038N -2.75 1.50 -0.05 -1.24 0.23 -1.22 -2.22 119.30 113.55 1a5u s MET 5038Ca -0.07 -0.69 0.03 0.00 -1.03 0.00 0.00 55.69 53.93 1a5u s MET 5038Cb 0.08 0.60 0.00 0.00 -1.53 0.00 0.00 34.83 33.98 1a5u s MET 5038CO 0.83 -0.67 -0.15 0.08 -2.03 0.00 0.00 175.02 173.08 1a5u s VAL 5039N -3.82 1.28 -0.44 5.16 1.01 0.23 -1.93 120.40 121.89 1a5u s VAL 5039Ca 0.05 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1a5u s VAL 5039Cb -0.03 -1.12 0.08 0.00 0.00 0.00 0.00 36.38 35.30 1a5u s VAL 5039CO -0.04 0.38 0.32 -0.36 0.00 0.00 0.00 175.10 175.39 1a5u s PHE 5040N 0.24 3.30 -0.33 5.22 0.08 0.13 0.16 117.98 126.78 1a5u s PHE 5040Ca -0.07 -1.32 -0.26 0.00 0.12 0.00 0.00 56.93 55.40 1a5u s PHE 5040Cb -0.12 -3.07 0.01 0.00 -0.57 0.00 0.00 43.02 39.27 1a5u s PHE 5040CO 0.03 -0.84 0.95 0.00 -0.10 0.00 0.00 175.22 175.26 1a5u s ALA 5041N 1.50 3.47 0.55 5.36 0.00 0.10 -1.02 121.76 131.73 1a5u s ALA 5041Ca 0.03 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 1a5u s ALA 5041Cb -0.24 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.29 1a5u s ALA 5041CO 0.04 -1.46 1.04 -1.12 0.00 0.00 0.00 175.76 174.25 1a5u s SER 5042N 1.73 6.11 -1.41 0.00 0.01 -1.26 -0.94 113.70 117.94 1a5u s SER 5042Ca 0.40 1.79 -0.04 0.00 1.31 0.00 0.00 55.95 59.40 1a5u s SER 5042Cb -0.13 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.60 1a5u s SER 5042CO 0.16 -0.94 0.71 0.33 0.41 0.00 0.00 173.24 173.91 1a5u n PHE 5043N -1.67 -1.93 -2.56 2.43 7.35 -1.25 -4.76 117.46 115.07 1a5u n PHE 5043Ca 0.08 0.83 -0.42 0.00 -0.76 0.00 0.00 57.45 57.18 1a5u n PHE 5043Cb 0.53 -4.06 -0.03 0.00 0.35 0.00 0.00 39.48 36.27 1a5u n PHE 5043CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1a5u s ILE 5044N -3.63 4.47 -0.05 -2.13 -1.09 -0.83 -4.88 121.20 113.07 1a5u s ILE 5044Ca 0.20 1.77 0.06 0.00 -2.23 0.00 0.00 60.65 60.45 1a5u s ILE 5044Cb -0.10 -4.14 -0.08 0.00 -1.58 0.00 0.00 42.46 36.55 1a5u s ILE 5044CO 0.84 0.04 0.14 0.54 -1.23 0.00 0.00 174.94 175.28 1a5u n ARG 5045N 4.75 1.03 -3.63 2.79 1.74 -1.26 -4.29 116.66 117.79 1a5u n ARG 5045Ca 0.09 -0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 57.07 1a5u n ARG 5045Cb 0.48 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.83 1a5u n ARG 5045CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a5u s LYS 5046N -2.24 1.05 0.27 5.56 -2.85 -1.26 -4.29 119.74 115.98 1a5u s LYS 5046Ca -0.01 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 1a5u s LYS 5046Cb 0.04 0.41 0.54 0.00 -2.06 0.00 0.00 37.83 36.75 1a5u s LYS 5046CO 0.23 -0.47 1.80 0.00 0.10 0.00 0.00 175.35 177.01 1a5u h ALA 5047N 2.00 1.39 0.00 0.59 0.00 -1.88 -1.34 119.26 120.02 1a5u h ALA 5047Ca -0.24 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1a5u h ALA 5047Cb 1.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1a5u h ALA 5047CO 0.28 0.07 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 1a5u h ALA 5048N 1.54 1.96 -0.68 0.00 0.00 -1.96 -0.34 119.26 119.78 1a5u h ALA 5048Ca 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1a5u h ALA 5048Cb 0.57 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1a5u h ALA 5048CO -0.31 0.01 0.35 -0.44 0.00 0.00 0.00 179.25 178.87 1a5u h ASP 5049N 0.00 0.87 -0.20 0.00 3.32 -1.65 0.46 116.42 119.21 1a5u h ASP 5049Ca -0.00 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1a5u h ASP 5049Cb 0.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1a5u h ASP 5049CO 0.00 0.73 0.05 0.58 -1.72 0.00 0.00 179.24 178.88 1a5u h VAL 5050N 0.94 1.21 -0.38 -1.35 2.07 -1.07 -0.71 116.25 116.95 1a5u h VAL 5050Ca 0.24 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1a5u h VAL 5050Cb 0.08 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1a5u h VAL 5050CO -0.03 0.21 0.15 0.45 0.02 0.00 0.00 177.57 178.37 1a5u h HIS 5051N 0.14 0.52 0.68 1.57 3.86 -0.97 0.27 115.15 121.23 1a5u h HIS 5051Ca 0.06 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1a5u h HIS 5051Cb 0.27 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 28.58 1a5u h HIS 5051CO 0.01 0.41 -0.33 0.93 0.86 0.00 0.00 177.93 179.82 1a5u h GLU 5052N 0.53 -0.88 -0.50 2.45 4.39 0.52 0.29 114.58 121.37 1a5u h GLU 5052Ca 0.13 0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.99 1a5u h GLU 5052Cb 0.11 0.20 -0.10 0.00 -0.10 0.00 0.00 28.75 28.86 1a5u h GLU 5052CO -0.01 -0.56 -0.18 0.28 -1.16 0.00 0.00 179.01 177.38 1a5u h VAL 5053N -1.03 0.41 -0.49 3.13 2.07 -0.67 0.43 116.25 120.10 1a5u h VAL 5053Ca -0.09 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.53 1a5u h VAL 5053Cb 0.73 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1a5u h VAL 5053CO 0.15 0.00 0.34 -0.09 0.02 0.00 0.00 177.57 177.99 1a5u h ARG 5054N -0.06 0.22 -0.19 1.57 9.65 -0.39 -1.46 114.38 123.72 1a5u h ARG 5054Ca 0.24 -0.01 -0.20 0.00 -1.10 0.00 0.00 59.98 58.91 1a5u h ARG 5054Cb 0.43 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1a5u h ARG 5054CO -0.55 0.14 -0.66 -0.22 2.80 0.00 0.00 179.97 181.49 1a5u h LYS 5055N 0.23 0.73 -0.40 0.20 3.64 0.20 -3.03 116.57 118.14 1a5u h LYS 5055Ca 0.23 -0.52 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1a5u h LYS 5055Cb 0.61 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1a5u h LYS 5055CO -0.04 1.14 0.14 0.82 -2.27 0.00 0.00 179.45 179.24 1a5u h ILE 5056N 0.53 1.21 0.00 2.00 1.08 -0.39 -2.79 117.51 119.15 1a5u h ILE 5056Ca -0.02 -0.67 -0.02 0.00 -0.39 0.00 0.00 64.86 63.77 1a5u h ILE 5056Cb 1.26 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 35.90 1a5u h ILE 5056CO 0.13 0.24 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.67 1a5u h LEU 5057N 0.50 0.00 0.00 1.44 3.38 -1.50 -3.47 115.31 115.66 1a5u h LEU 5057Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1a5u h LEU 5057Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1a5u h LEU 5057CO -0.01 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1a5u n GLY 5058N -0.92 0.14 0.32 0.83 0.00 -1.05 0.27 105.19 104.77 1a5u n GLY 5058Ca -0.02 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.40 1a5u n GLY 5058CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a5u h GLU 5059N 0.00 0.80 -0.24 1.61 4.39 -1.90 -1.28 114.58 117.96 1a5u h GLU 5059Ca 0.00 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.71 1a5u h GLU 5059Cb 0.00 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.41 1a5u h GLU 5059CO 0.00 0.53 -0.15 0.87 -1.16 0.00 0.00 179.01 179.10 1a5u h LYS 5060N 0.82 -0.13 -0.87 2.33 1.79 -1.96 -2.80 116.57 115.76 1a5u h LYS 5060Ca 0.43 0.01 -0.58 0.00 -2.18 0.00 0.00 60.65 58.33 1a5u h LYS 5060Cb 0.43 0.03 -0.31 0.00 -1.58 0.00 0.00 32.23 30.80 1a5u h LYS 5060CO -0.27 -0.08 0.34 0.41 -1.08 0.00 0.00 179.45 178.77 1a5u n GLY 5061N -1.31 5.75 0.04 3.86 0.00 0.14 -4.66 105.19 109.01 1a5u n GLY 5061Ca -0.01 -2.15 0.09 0.00 0.00 0.00 0.00 46.02 43.95 1a5u n GLY 5061CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a5u n LYS 5062N -0.92 0.06 0.00 1.61 2.85 -0.55 -2.15 118.16 119.07 1a5u n LYS 5062Ca 0.55 0.30 0.10 0.00 -1.05 0.00 0.00 58.31 58.21 1a5u n LYS 5062Cb 0.89 -1.62 -0.11 0.00 -0.65 0.00 0.00 35.03 33.54 1a5u n LYS 5062CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1a5u n ASN 5063N -1.74 1.02 -4.73 -5.58 5.03 -1.26 -4.90 115.26 103.09 1a5u n ASN 5063Ca 0.03 -1.01 -0.42 0.00 0.87 0.00 0.00 54.58 54.06 1a5u n ASN 5063Cb 0.19 0.98 -0.03 0.00 -1.02 0.00 0.00 39.78 39.90 1a5u n ASN 5063CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a5u s ILE 5064N -2.92 3.22 0.07 2.41 1.01 -0.91 -4.95 121.20 119.12 1a5u s ILE 5064Ca 0.08 0.96 -0.21 0.00 0.00 0.00 0.00 60.65 61.47 1a5u s ILE 5064Cb 0.16 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 1a5u s ILE 5064CO 0.83 0.12 0.64 -0.54 0.00 0.00 0.00 174.94 175.99 1a5u s LYS 5065N 0.28 4.34 -0.36 2.79 1.02 -0.94 -4.90 119.74 121.96 1a5u s LYS 5065Ca 0.59 0.86 -0.12 0.00 0.02 0.00 0.00 55.97 57.32 1a5u s LYS 5065Cb -0.37 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 1a5u s LYS 5065CO 0.36 0.51 0.22 0.42 -0.92 0.00 0.00 175.35 175.94 1a5u s ILE 5066N -0.74 4.82 -0.29 2.17 1.01 -1.26 0.77 121.20 127.68 1a5u s ILE 5066Ca 0.32 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 1a5u s ILE 5066Cb -0.20 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1a5u s ILE 5066CO 0.20 -0.16 0.19 -0.63 0.00 0.00 0.00 174.94 174.54 1a5u s ILE 5067N 1.61 5.20 -0.09 2.92 -1.09 0.12 -0.61 121.20 129.27 1a5u s ILE 5067Ca 0.04 0.07 -0.20 0.00 -2.23 0.00 0.00 60.65 58.33 1a5u s ILE 5067Cb -0.18 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1a5u s ILE 5067CO 0.08 0.22 0.54 -0.44 -1.23 0.00 0.00 174.94 174.11 1a5u s SER 5068N 1.74 6.79 -0.16 3.58 0.01 -0.25 -0.72 113.70 124.69 1a5u s SER 5068Ca 0.07 0.94 -0.20 0.00 1.31 0.00 0.00 55.95 58.07 1a5u s SER 5068Cb -0.16 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1a5u s SER 5068CO 0.10 -0.02 0.56 -0.54 0.41 0.00 0.00 173.24 173.75 1a5u s LYS 5069N 0.58 4.27 -0.50 12.44 1.02 -0.12 -0.42 119.74 137.01 1a5u s LYS 5069Ca 0.29 0.54 -0.19 0.00 0.02 0.00 0.00 55.97 56.63 1a5u s LYS 5069Cb -0.16 -3.51 0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1a5u s LYS 5069CO 0.13 -0.05 0.62 0.42 -0.92 0.00 0.00 175.35 175.55 1a5u s ILE 5070N 1.30 4.87 -0.02 2.17 -1.09 -0.38 -1.96 121.20 126.09 1a5u s ILE 5070Ca 0.28 -0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 1a5u s ILE 5070Cb -0.16 -4.28 0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1a5u s ILE 5070CO 0.11 -0.77 0.93 -0.62 -1.23 0.00 0.00 174.94 173.36 1a5u n GLU 5071N 6.17 1.94 -3.97 2.79 1.02 -1.26 -3.21 120.64 124.11 1a5u n GLU 5071Ca -0.06 -1.47 -0.11 0.00 -0.02 0.00 0.00 57.16 55.50 1a5u n GLU 5071Cb 0.46 -0.96 -0.03 0.00 -0.02 0.00 0.00 31.44 30.88 1a5u n GLU 5071CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a5u s ASN 5072N -1.15 0.23 0.15 1.62 6.03 -1.26 -3.22 114.94 117.34 1a5u s ASN 5072Ca 0.06 -1.12 -0.19 0.00 -1.03 0.00 0.00 52.86 50.58 1a5u s ASN 5072Cb 0.05 0.69 0.05 0.00 -3.03 0.00 0.00 41.25 39.01 1a5u s ASN 5072CO 0.01 -1.34 1.67 0.45 -2.03 0.00 0.00 177.10 175.86 1a5u h HIS 5073N 2.12 -0.24 -0.78 1.54 3.86 -1.92 -1.97 115.15 117.76 1a5u h HIS 5073Ca -0.27 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.05 1a5u h HIS 5073Cb 1.25 0.15 -0.07 0.00 1.06 0.00 0.00 27.41 29.80 1a5u h HIS 5073CO 0.97 -0.17 0.44 1.49 0.86 0.00 0.00 177.93 181.52 1a5u h GLU 5074N -0.04 0.74 -0.50 2.45 4.81 -1.91 0.18 114.58 120.32 1a5u h GLU 5074Ca 0.16 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1a5u h GLU 5074Cb 0.28 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1a5u h GLU 5074CO -0.35 0.49 0.21 0.78 -0.73 0.00 0.00 179.01 179.41 1a5u h GLY 5075N 0.77 0.80 0.87 1.92 0.00 -1.62 0.54 103.07 106.34 1a5u h GLY 5075Ca 0.37 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1a5u h GLY 5075CO -0.23 0.40 -0.42 -2.08 0.00 0.00 0.00 176.54 174.22 1a5u h VAL 5076N 0.66 0.00 -0.92 4.60 2.07 -0.62 -1.55 116.25 120.49 1a5u h VAL 5076Ca 0.17 -0.06 0.21 0.00 0.82 0.00 0.00 66.70 67.84 1a5u h VAL 5076Cb 0.18 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 1a5u h VAL 5076CO -0.01 0.00 0.61 0.03 0.02 0.00 0.00 177.57 178.21 1a5u h ARG 5077N -1.23 0.40 -0.68 1.57 3.08 -0.58 -0.17 114.38 116.77 1a5u h ARG 5077Ca -0.12 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.73 1a5u h ARG 5077Cb 0.90 -0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.75 1a5u h ARG 5077CO 0.20 0.26 0.21 0.54 -1.07 0.00 0.00 179.97 180.11 1a5u n ARG 5078N -4.52 3.84 -0.23 0.04 1.74 0.19 -4.73 116.66 112.99 1a5u n ARG 5078Ca 0.20 -3.10 -0.01 0.00 -0.77 0.00 0.00 57.85 54.16 1a5u n ARG 5078Cb 0.72 -2.20 0.05 0.00 -1.02 0.00 0.00 32.46 30.01 1a5u n ARG 5078CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a5u h PHE 5079N 2.80 -0.58 -0.59 -1.55 3.57 0.03 -2.87 116.94 117.75 1a5u h PHE 5079Ca 0.21 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.84 1a5u h PHE 5079Cb 2.23 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 41.27 1a5u h PHE 5079CO 1.22 -0.34 0.29 -0.44 -2.23 0.00 0.00 178.31 176.82 1a5u h ASP 5080N -0.06 0.40 0.96 0.41 3.32 -1.85 0.27 116.42 119.88 1a5u h ASP 5080Ca 0.30 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1a5u h ASP 5080Cb 0.53 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1a5u h ASP 5080CO -0.72 0.26 -0.35 1.05 -1.72 0.00 0.00 179.24 177.76 1a5u h GLU 5081N 0.55 0.00 -0.05 3.56 4.11 -1.91 -2.08 114.58 118.75 1a5u h GLU 5081Ca 0.27 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.55 1a5u h GLU 5081Cb 0.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1a5u h GLU 5081CO -0.20 0.35 -0.55 0.82 0.07 0.00 0.00 179.01 179.51 1a5u h ILE 5082N 0.00 1.40 0.34 -1.06 2.04 -1.27 -2.92 117.51 116.04 1a5u h ILE 5082Ca -0.00 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 63.91 1a5u h ILE 5082Cb 0.93 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 1a5u h ILE 5082CO 0.05 0.57 -0.52 0.25 0.00 0.00 0.00 178.15 178.50 1a5u h LEU 5083N 0.01 -1.49 -0.86 1.44 5.85 -0.22 -1.72 115.31 118.32 1a5u h LEU 5083Ca -0.05 0.14 0.22 0.00 0.84 0.00 0.00 57.88 59.02 1a5u h LEU 5083Cb 1.22 0.52 -0.15 0.00 0.37 0.00 0.00 40.66 42.62 1a5u h LEU 5083CO 0.11 -0.63 0.11 -0.08 -0.34 0.00 0.00 178.44 177.61 1a5u h GLU 5084N -0.91 0.12 0.00 1.25 4.22 -1.47 0.13 114.58 117.92 1a5u h GLU 5084Ca -0.04 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.34 1a5u h GLU 5084Cb 0.83 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1a5u h GLU 5084CO -0.16 0.08 -0.23 0.00 -2.18 0.00 0.00 179.01 176.52 1a5u h ALA 5085N 1.80 0.86 -2.29 2.92 0.00 -1.29 -3.46 119.26 117.79 1a5u h ALA 5085Ca 0.51 -0.21 -0.47 0.00 0.00 0.00 0.00 54.91 54.74 1a5u h ALA 5085Cb 1.00 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.82 1a5u h ALA 5085CO -0.72 0.29 0.20 -1.12 0.00 0.00 0.00 179.25 177.90 1a5u s SER 5086N -6.31 5.44 0.11 0.00 0.01 0.44 -4.95 113.70 108.44 1a5u s SER 5086Ca 0.05 0.69 0.19 0.00 1.31 0.00 0.00 55.95 58.19 1a5u s SER 5086Cb 0.06 -1.61 -0.10 0.00 0.21 0.00 0.00 66.02 64.59 1a5u s SER 5086CO 0.70 -1.18 0.87 0.47 0.41 0.00 0.00 173.24 174.52 1a5u n ASP 5087N -2.67 0.78 -3.50 2.44 8.00 0.22 -4.95 116.55 116.88 1a5u n ASP 5087Ca 0.05 0.33 -0.02 0.00 0.71 0.00 0.00 54.79 55.86 1a5u n ASP 5087Cb 0.58 0.41 0.01 0.00 -0.02 0.00 0.00 41.12 42.10 1a5u n ASP 5087CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1a5u s GLY 5088N -4.62 0.01 0.08 0.44 0.00 -0.86 -4.12 107.32 98.24 1a5u s GLY 5088Ca -0.02 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.56 1a5u s GLY 5088CO 0.81 2.69 -0.09 -0.42 0.00 0.00 0.00 173.10 176.09 1a5u s ILE 5089N -2.25 0.75 -0.14 0.90 -1.09 -0.46 -1.09 121.20 117.83 1a5u s ILE 5089Ca 0.22 -1.48 -0.00 0.00 -2.23 0.00 0.00 60.65 57.16 1a5u s ILE 5089Cb -0.02 -1.14 0.03 0.00 -1.58 0.00 0.00 42.46 39.75 1a5u s ILE 5089CO 0.03 -0.55 -0.10 -0.32 -1.23 0.00 0.00 174.94 172.78 1a5u s MET 5090N -2.52 1.79 -1.23 2.79 -2.45 0.44 -1.29 119.30 116.83 1a5u s MET 5090Ca 0.01 -0.42 -0.19 0.00 -1.25 0.00 0.00 55.69 53.85 1a5u s MET 5090Cb -0.04 -1.85 -0.01 0.00 1.25 0.00 0.00 34.83 34.18 1a5u s MET 5090CO -0.01 -0.29 1.93 0.28 1.05 0.00 0.00 175.02 177.99 1a5u n VAL 5091N 4.87 3.05 -1.78 10.11 0.31 0.13 -1.25 118.33 133.76 1a5u n VAL 5091Ca -0.14 -2.99 -0.21 0.00 -0.01 0.00 0.00 64.34 60.99 1a5u n VAL 5091Cb 0.50 -2.37 -0.09 0.00 -0.91 0.00 0.00 33.84 30.96 1a5u n VAL 5091CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a5u n ALA 5092N 9.03 0.95 0.29 3.52 0.00 -1.20 -3.11 120.51 130.01 1a5u n ALA 5092Ca 0.49 -2.60 0.16 0.00 0.00 0.00 0.00 53.44 51.49 1a5u n ALA 5092Cb 0.44 -3.42 0.79 0.00 0.00 0.00 0.00 19.45 17.26 1a5u n ALA 5092CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5u h ARG 5093N 10.74 0.00 0.26 0.00 3.08 -1.84 -2.11 114.38 124.51 1a5u h ARG 5093Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1a5u h ARG 5093Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1a5u h ARG 5093CO 1.12 0.00 -0.13 0.78 -1.07 0.00 0.00 179.97 180.68 1a5u h GLY 5094N 0.99 -0.37 0.72 0.04 0.00 -1.86 -2.39 103.07 100.20 1a5u h GLY 5094Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1a5u h GLY 5094CO 0.00 -0.13 0.30 -0.55 0.00 0.00 0.00 176.54 176.15 1a5u h ASP 5095N -0.61 0.43 -0.28 0.19 3.32 -1.87 -0.91 116.42 116.69 1a5u h ASP 5095Ca -0.04 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.12 1a5u h ASP 5095Cb 0.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1a5u h ASP 5095CO 0.06 0.29 0.20 0.25 -1.72 0.00 0.00 179.24 178.33 1a5u h LEU 5096N 0.57 0.00 -0.42 1.55 5.85 -1.35 -0.66 115.31 120.84 1a5u h LEU 5096Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1a5u h LEU 5096Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1a5u h LEU 5096CO -0.16 0.00 -0.05 0.61 -0.34 0.00 0.00 178.44 178.50 1a5u n GLY 5097N -1.59 -0.63 0.12 3.75 0.00 -0.36 -1.62 105.19 104.87 1a5u n GLY 5097Ca 0.04 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1a5u n GLY 5097CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a5u n ILE 5098N -0.57 1.58 0.21 -0.61 5.41 -0.32 -4.04 119.36 121.02 1a5u n ILE 5098Ca 0.19 -0.32 -0.15 0.00 1.00 0.00 0.00 62.75 63.46 1a5u n ILE 5098Cb 0.26 -1.86 -0.08 0.00 -0.71 0.00 0.00 39.64 37.25 1a5u n ILE 5098CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1a5u h GLU 5099N -0.66 -0.49 -6.18 0.38 4.39 -1.40 -3.44 114.58 107.18 1a5u h GLU 5099Ca -0.50 0.03 -0.52 0.00 0.34 0.00 0.00 59.36 58.71 1a5u h GLU 5099Cb 1.61 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 30.31 1a5u h GLU 5099CO -0.20 -0.33 -0.55 0.96 -1.16 0.00 0.00 179.01 177.73 1a5u s ILE 5100N -6.11 3.77 0.27 3.13 -4.36 -0.64 -4.59 121.20 112.68 1a5u s ILE 5100Ca -0.16 -1.59 -0.30 0.00 -0.26 0.00 0.00 60.65 58.34 1a5u s ILE 5100Cb 0.05 -3.14 -0.13 0.00 1.25 0.00 0.00 42.46 40.49 1a5u s ILE 5100CO 0.64 -0.30 1.31 -2.65 0.24 0.00 0.00 174.94 174.17 1a5u n PRO 5101N -1.12 1.92 -0.03 0.37 -0.02 -1.26 -4.49 135.00 130.37 1a5u n PRO 5101Ca -0.06 0.68 0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1a5u n PRO 5101Cb 0.59 -2.27 0.31 0.00 -0.02 0.00 0.00 33.50 32.12 1a5u n PRO 5101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a5u h ALA 5102N 3.36 1.44 0.00 3.55 0.00 -1.92 -1.39 119.26 124.30 1a5u h ALA 5102Ca -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1a5u h ALA 5102Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1a5u h ALA 5102CO 0.69 0.41 0.00 -0.85 0.00 0.00 0.00 179.25 179.51 1a5u n GLU 5103N -4.34 0.09 0.00 0.00 0.00 -1.26 -2.22 120.64 112.91 1a5u n GLU 5103Ca 0.03 0.24 0.06 0.00 0.00 0.00 0.00 57.16 57.49 1a5u n GLU 5103Cb 0.18 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 1a5u n GLU 5103CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a5u n LYS 5104N -1.31 2.30 -0.32 3.44 5.02 -0.53 -4.62 118.16 122.15 1a5u n LYS 5104Ca 0.03 -0.42 0.11 0.00 -2.02 0.00 0.00 58.31 56.01 1a5u n LYS 5104Cb 0.06 -1.14 0.32 0.00 -0.02 0.00 0.00 35.03 34.25 1a5u n LYS 5104CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a5u h VAL 5105N 0.86 0.83 -0.33 -0.18 2.07 -1.49 -1.94 116.25 116.07 1a5u h VAL 5105Ca 0.00 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1a5u h VAL 5105Cb 0.38 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1a5u h VAL 5105CO 0.00 0.15 0.09 2.19 0.02 0.00 0.00 177.57 180.02 1a5u h PHE 5106N 0.81 0.47 -0.26 1.57 -0.00 -1.82 0.15 116.94 117.86 1a5u h PHE 5106Ca 0.49 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 58.42 1a5u h PHE 5106Cb 0.69 -0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 36.48 1a5u h PHE 5106CO -0.00 0.41 0.08 -0.07 -0.00 0.00 0.00 178.31 178.73 1a5u h LEU 5107N 0.47 0.38 -0.71 2.10 3.38 -1.68 -0.78 115.31 118.46 1a5u h LEU 5107Ca 0.11 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1a5u h LEU 5107Cb 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1a5u h LEU 5107CO -0.01 0.48 0.23 0.00 0.09 0.00 0.00 178.44 179.24 1a5u h ALA 5108N 0.91 0.93 -0.38 1.53 0.00 -1.22 0.98 119.26 122.01 1a5u h ALA 5108Ca 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1a5u h ALA 5108Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a5u h ALA 5108CO -0.00 0.61 0.04 0.37 0.00 0.00 0.00 179.25 180.27 1a5u h GLN 5109N 1.05 0.64 -0.45 0.00 4.15 -0.44 -1.95 115.11 118.11 1a5u h GLN 5109Ca 0.23 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.35 1a5u h GLN 5109Cb 0.29 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1a5u h GLN 5109CO -0.01 0.72 -0.18 0.87 -1.93 0.00 0.00 178.83 178.30 1a5u h LYS 5110N 0.48 0.92 -0.86 1.69 1.57 -0.90 0.11 116.57 119.58 1a5u h LYS 5110Ca 0.11 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1a5u h LYS 5110Cb 0.40 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1a5u h LYS 5110CO 0.01 1.04 0.50 1.98 -0.57 0.00 0.00 179.45 182.41 1a5u h MET 5111N 0.75 1.18 -0.17 3.15 4.05 -0.78 0.89 114.93 124.00 1a5u h MET 5111Ca 0.10 -0.12 -0.12 0.00 -0.28 0.00 0.00 59.70 59.28 1a5u h MET 5111Cb 0.75 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1a5u h MET 5111CO 0.06 0.84 -0.37 0.82 0.23 0.00 0.00 176.91 178.49 1a5u h ILE 5112N 1.19 1.34 -0.66 1.77 2.04 -1.08 -2.43 117.51 119.68 1a5u h ILE 5112Ca 0.31 -1.62 -0.08 0.00 1.00 0.00 0.00 64.86 64.47 1a5u h ILE 5112Cb -0.02 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1a5u h ILE 5112CO -0.05 0.49 0.10 0.40 0.00 0.00 0.00 178.15 179.09 1a5u h ILE 5113N 0.19 1.26 0.11 -0.67 2.04 -0.80 -1.52 117.51 118.12 1a5u h ILE 5113Ca 0.00 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 1a5u h ILE 5113Cb 0.97 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1a5u h ILE 5113CO 0.08 0.39 -0.16 1.23 0.00 0.00 0.00 178.15 179.69 1a5u h GLY 5114N 1.02 -1.02 -0.46 5.37 0.00 -0.77 -0.65 103.07 106.56 1a5u h GLY 5114Ca 0.20 0.46 0.32 0.00 0.00 0.00 0.00 47.33 48.32 1a5u h GLY 5114CO 0.01 -0.34 0.70 3.21 0.00 0.00 0.00 176.54 180.12 1a5u h ARG 5115N -0.28 0.30 -0.09 4.80 3.08 -1.41 0.57 114.38 121.34 1a5u h ARG 5115Ca -0.01 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.78 1a5u h ARG 5115Cb 0.26 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1a5u h ARG 5115CO -0.05 0.20 -0.87 0.00 -1.07 0.00 0.00 179.97 178.17 1a5u h ASN 5117N 0.45 0.10 -0.66 0.00 -0.26 0.65 0.81 115.58 116.66 1a5u h ASN 5117Ca -0.08 -0.08 0.13 0.00 -0.56 0.00 0.00 56.30 55.70 1a5u h ASN 5117Cb 1.52 -0.02 -0.09 0.00 -1.06 0.00 0.00 38.32 38.66 1a5u h ASN 5117CO 0.18 0.15 0.18 -0.09 -1.06 0.00 0.00 177.43 176.78 1a5u h ARG 5118N 0.03 0.30 0.00 0.81 2.43 0.09 -1.34 114.38 116.70 1a5u h ARG 5118Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1a5u h ARG 5118Cb 0.07 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1a5u h ARG 5118CO -0.00 0.20 -0.38 0.00 -1.51 0.00 0.00 179.97 178.27 1a5u n ALA 5119N -2.59 2.67 -2.15 2.80 0.00 -0.10 -4.89 120.51 116.24 1a5u n ALA 5119Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 1a5u n ALA 5119Cb 0.37 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1a5u n ALA 5119CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5u n GLY 5120N 1.32 0.52 3.49 0.00 0.00 0.26 -5.05 105.19 105.74 1a5u n GLY 5120Ca 0.04 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1a5u n GLY 5120CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5u s LYS 5121N -4.31 2.64 0.28 1.61 1.02 -0.19 -4.96 119.74 115.84 1a5u s LYS 5121Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 1a5u s LYS 5121Cb -0.00 -2.45 -0.12 0.00 -0.52 0.00 0.00 37.83 34.74 1a5u s LYS 5121CO 0.00 0.59 1.54 -0.35 -0.92 0.00 0.00 175.35 176.22 1a5u n PRO 5122N 2.41 2.52 -4.49 -1.68 -0.04 -1.26 -4.45 135.00 128.01 1a5u n PRO 5122Ca -0.17 0.90 -0.22 0.00 -0.04 0.00 0.00 63.50 63.96 1a5u n PRO 5122Cb 0.52 -2.64 -0.16 0.00 -0.04 0.00 0.00 33.50 31.18 1a5u n PRO 5122CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a5u s VAL 5123N -0.05 0.94 -0.16 0.52 0.11 -1.26 -1.35 120.40 119.15 1a5u s VAL 5123Ca 0.65 -0.43 -0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1a5u s VAL 5123Cb -0.54 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.45 1a5u s VAL 5123CO 0.49 0.29 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.89 1a5u s ILE 5124N 0.27 3.98 -0.10 7.04 1.01 -0.41 -1.14 121.20 131.85 1a5u s ILE 5124Ca -0.05 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 1a5u s ILE 5124Cb -0.10 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1a5u s ILE 5124CO 0.01 0.49 0.42 0.00 0.00 0.00 0.00 174.94 175.86 1a5u s ALA 5126N 0.15 0.88 0.06 0.00 0.00 -1.18 -2.38 121.76 119.28 1a5u s ALA 5126Ca 0.23 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1a5u s ALA 5126Cb -0.15 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1a5u s ALA 5126CO 0.10 -0.41 0.00 2.41 0.00 0.00 0.00 175.76 177.85 1a5u n THR 5127N -0.07 -5.42 -1.31 0.00 -1.04 -1.26 -3.44 114.28 101.75 1a5u n THR 5127Ca -0.08 1.01 -0.11 0.00 -2.04 0.00 0.00 64.05 62.83 1a5u n THR 5127Cb 0.63 -3.13 -0.05 0.00 -1.82 0.00 0.00 70.33 65.96 1a5u n THR 5127CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a5u n GLN 5128N 0.56 -0.93 -0.34 -2.82 6.02 -1.26 -4.77 117.38 113.84 1a5u n GLN 5128Ca 0.00 0.84 -0.00 0.00 -0.01 0.00 0.00 57.00 57.83 1a5u n GLN 5128Cb 0.00 -4.85 0.13 0.00 1.02 0.00 0.00 30.24 26.54 1a5u n GLN 5128CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a5u h MET 5129N 0.07 1.09 -0.77 -1.09 2.86 -1.88 -3.12 114.93 112.09 1a5u h MET 5129Ca -0.22 -0.07 -0.35 0.00 -2.06 0.00 0.00 59.70 57.01 1a5u h MET 5129Cb 0.79 -0.25 -0.41 0.00 0.06 0.00 0.00 31.60 31.80 1a5u h MET 5129CO 0.32 0.72 -1.07 1.28 1.06 0.00 0.00 176.91 179.21 1a5u n LEU 5130N -4.53 2.23 -0.35 1.22 4.77 -1.26 -4.54 117.00 114.55 1a5u n LEU 5130Ca 0.12 -3.67 0.03 0.00 -0.03 0.00 0.00 56.01 52.46 1a5u n LEU 5130Cb 0.12 0.28 0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1a5u n LEU 5130CO 0.33 1.46 0.64 -0.08 -1.33 0.00 0.00 177.39 178.41 1a5u h GLU 5131N 2.69 -0.01 -0.40 3.23 4.57 -1.95 -0.42 114.58 122.30 1a5u h GLU 5131Ca -0.02 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.27 1a5u h GLU 5131Cb 1.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 1a5u h GLU 5131CO 0.42 -0.01 0.45 0.66 -1.18 0.00 0.00 179.01 179.35 1a5u h SER 5132N -0.01 0.00 0.00 1.04 4.64 -1.92 -1.65 113.55 115.64 1a5u h SER 5132Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1a5u h SER 5132Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1a5u h SER 5132CO -0.97 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.22 1a5u n MET 5133N -3.68 0.52 0.13 4.77 2.81 -0.17 -1.58 117.12 119.93 1a5u n MET 5133Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1a5u n MET 5133Cb 0.62 -1.35 0.07 0.00 -0.71 0.00 0.00 33.22 31.85 1a5u n MET 5133CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a5u h ILE 5134N 0.00 1.15 0.00 2.02 2.04 -1.48 -3.35 117.51 117.90 1a5u h ILE 5134Ca 0.00 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1a5u h ILE 5134Cb 0.00 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1a5u h ILE 5134CO 0.00 0.61 0.00 0.29 0.00 0.00 0.00 178.15 179.05 1a5u n LYS 5135N -3.38 5.68 -4.39 2.37 4.76 -0.92 -0.21 118.16 122.07 1a5u n LYS 5135Ca 0.01 -0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.18 1a5u n LYS 5135Cb 0.73 -0.53 -0.13 0.00 -1.84 0.00 0.00 35.03 33.25 1a5u n LYS 5135CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a5u s LYS 5136N -0.83 1.03 0.18 1.97 1.02 -0.61 -4.98 119.74 117.52 1a5u s LYS 5136Ca 0.00 -0.83 0.25 0.00 0.02 0.00 0.00 55.97 55.41 1a5u s LYS 5136Cb 0.00 -1.07 0.90 0.00 -0.52 0.00 0.00 37.83 37.14 1a5u s LYS 5136CO 0.00 0.26 1.76 -0.35 -0.92 0.00 0.00 175.35 176.11 1a5u n PRO 5137N 1.80 0.19 -4.25 -1.68 -0.04 -1.26 -4.23 135.00 125.54 1a5u n PRO 5137Ca -0.18 0.24 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1a5u n PRO 5137Cb 0.54 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 1a5u n PRO 5137CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a5u s ARG 5138N -3.14 0.98 0.61 0.54 0.52 -1.26 -4.91 118.95 112.30 1a5u s ARG 5138Ca 0.09 -1.03 -0.02 0.00 -0.52 0.00 0.00 55.73 54.25 1a5u s ARG 5138Cb 0.12 -1.11 0.05 0.00 0.52 0.00 0.00 34.95 34.53 1a5u s ARG 5138CO 0.52 0.25 0.87 -1.25 0.02 0.00 0.00 175.30 175.71 1a5u s PRO 5139N -1.75 2.39 0.72 3.54 0.04 -1.26 -4.63 135.00 134.04 1a5u s PRO 5139Ca 0.02 -0.60 -0.06 0.00 0.04 0.00 0.00 61.00 60.41 1a5u s PRO 5139Cb -0.10 -2.37 0.08 0.00 0.04 0.00 0.00 34.50 32.16 1a5u s PRO 5139CO 0.03 -0.93 1.02 0.95 0.04 0.00 0.00 177.00 178.11 1a5u s THR 5140N -2.95 2.26 0.15 1.26 -4.23 -1.26 -4.90 115.64 105.97 1a5u s THR 5140Ca 0.59 -0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 60.61 1a5u s THR 5140Cb -0.10 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.81 1a5u s THR 5140CO 0.41 0.00 1.81 0.03 -0.54 0.00 0.00 174.62 176.33 1a5u h ARG 5141N -0.63 0.52 -0.90 3.99 2.47 -1.99 -0.30 114.38 117.54 1a5u h ARG 5141Ca -0.43 -0.03 0.12 0.00 -1.26 0.00 0.00 59.98 58.38 1a5u h ARG 5141Cb 1.30 -0.12 -0.09 0.00 -1.65 0.00 0.00 29.97 29.42 1a5u h ARG 5141CO 0.55 0.34 0.52 0.00 0.56 0.00 0.00 179.97 181.94 1a5u h ALA 5142N 1.15 1.34 -0.15 0.04 0.00 -1.99 0.25 119.26 119.91 1a5u h ALA 5142Ca 0.15 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1a5u h ALA 5142Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1a5u h ALA 5142CO -0.03 0.07 -0.43 0.93 0.00 0.00 0.00 179.25 179.78 1a5u h GLU 5143N 0.80 0.34 -0.40 0.00 5.08 -1.66 0.21 114.58 118.96 1a5u h GLU 5143Ca 0.46 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1a5u h GLU 5143Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1a5u h GLU 5143CO -0.30 0.72 -0.02 0.78 -1.00 0.00 0.00 179.01 179.19 1a5u h GLY 5144N 1.20 0.77 0.90 -3.84 0.00 0.12 -1.48 103.07 100.74 1a5u h GLY 5144Ca 0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1a5u h GLY 5144CO 0.07 0.54 -0.01 1.48 0.00 0.00 0.00 176.54 178.62 1a5u h SER 5145N 0.54 0.57 -0.28 0.19 4.64 -0.79 -2.14 113.55 116.27 1a5u h SER 5145Ca 0.11 -0.32 0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1a5u h SER 5145Cb 0.51 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.37 1a5u h SER 5145CO 0.02 0.74 -0.47 -0.78 -0.87 0.00 0.00 176.83 175.48 1a5u h ASP 5146N 0.37 -1.54 -0.69 4.97 3.58 -0.48 0.75 116.42 123.38 1a5u h ASP 5146Ca 0.09 0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 1a5u h ASP 5146Cb 0.46 0.64 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 1a5u h ASP 5146CO 0.02 -0.41 0.35 0.58 -2.88 0.00 0.00 179.24 176.89 1a5u h VAL 5147N -0.43 1.23 0.38 2.25 2.07 -1.22 -2.44 116.25 118.08 1a5u h VAL 5147Ca 0.09 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1a5u h VAL 5147Cb 0.62 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1a5u h VAL 5147CO -0.51 0.27 -0.18 0.00 0.02 0.00 0.00 177.57 177.17 1a5u h ALA 5148N 1.38 -0.51 -0.41 1.67 0.00 -0.19 -2.98 119.26 118.22 1a5u h ALA 5148Ca 0.25 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1a5u h ALA 5148Cb 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1a5u h ALA 5148CO -0.03 -0.65 0.44 -0.91 0.00 0.00 0.00 179.25 178.10 1a5u h ASN 5149N -0.79 0.00 0.33 0.00 -0.26 0.47 0.42 115.58 115.75 1a5u h ASN 5149Ca -0.05 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.45 1a5u h ASN 5149Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1a5u h ASN 5149CO 0.09 0.00 -0.99 0.00 -1.06 0.00 0.00 177.43 175.47 1a5u h ALA 5150N 1.51 0.31 -0.16 -0.83 0.00 -1.39 0.35 119.26 119.05 1a5u h ALA 5150Ca 0.19 -0.73 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 1a5u h ALA 5150Cb 1.07 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1a5u h ALA 5150CO -0.00 0.82 -0.77 0.28 0.00 0.00 0.00 179.25 179.58 1a5u h VAL 5151N 0.23 1.28 0.00 0.00 2.07 -0.80 -1.53 116.25 117.50 1a5u h VAL 5151Ca -0.09 -1.97 -0.10 0.00 0.82 0.00 0.00 66.70 65.36 1a5u h VAL 5151Cb 1.63 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1a5u h VAL 5151CO 0.17 0.62 -0.46 -0.07 0.02 0.00 0.00 177.57 177.86 1a5u h LEU 5152N 0.54 0.00 -1.23 2.57 3.38 -1.28 -2.51 115.31 116.78 1a5u h LEU 5152Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1a5u h LEU 5152Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1a5u h LEU 5152CO 0.16 0.46 -0.30 0.44 0.09 0.00 0.00 178.44 179.29 1a5u h ASP 5153N 0.00 0.14 0.00 -0.43 3.32 -0.07 -3.47 116.42 115.91 1a5u h ASP 5153Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1a5u h ASP 5153Cb 0.92 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1a5u h ASP 5153CO 0.06 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 1a5u n GLY 5154N -0.54 1.23 3.70 2.75 0.00 -0.95 -4.69 105.19 106.70 1a5u n GLY 5154Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1a5u n GLY 5154CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u n ALA 5155N 0.00 1.64 0.07 4.61 0.00 -0.61 -4.89 120.51 121.33 1a5u n ALA 5155Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 1a5u n ALA 5155Cb 0.00 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.04 1a5u n ALA 5155CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a5u h ASP 5156N 4.28 0.61 -4.79 0.00 5.19 -1.45 -3.45 116.42 116.81 1a5u h ASP 5156Ca -0.46 -0.51 -0.23 0.00 -0.62 0.00 0.00 57.03 55.21 1a5u h ASP 5156Cb 1.26 -0.19 -0.19 0.00 0.18 0.00 0.00 39.33 40.39 1a5u h ASP 5156CO 0.76 1.32 -0.71 0.00 -3.12 0.00 0.00 179.24 177.48 1a5u s ILE 5158N -2.28 2.48 0.05 0.00 -4.36 -0.67 -1.36 121.20 115.05 1a5u s ILE 5158Ca -0.03 -2.17 -0.01 0.00 -0.26 0.00 0.00 60.65 58.18 1a5u s ILE 5158Cb -0.04 -2.62 -0.04 0.00 1.25 0.00 0.00 42.46 41.01 1a5u s ILE 5158CO -0.02 -0.26 -0.02 -0.32 0.24 0.00 0.00 174.94 174.56 1a5u s MET 5159N -3.62 0.58 -0.06 0.37 1.75 -1.00 -1.12 119.30 116.19 1a5u s MET 5159Ca 0.33 -1.13 0.02 0.00 -1.25 0.00 0.00 55.69 53.65 1a5u s MET 5159Cb -0.00 0.20 0.01 0.00 2.84 0.00 0.00 34.83 37.88 1a5u s MET 5159CO 0.17 -0.11 -0.12 -0.51 -0.65 0.00 0.00 175.02 173.81 1a5u s LEU 5160N -2.73 1.63 0.00 4.11 1.43 0.11 -4.51 118.68 118.72 1a5u s LEU 5160Ca 0.04 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1a5u s LEU 5160Cb 0.06 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.47 1a5u s LEU 5160CO -0.09 0.03 0.00 -1.20 0.23 0.00 0.00 176.35 175.32 1a5u n SER 5161N 3.81 0.00 0.18 2.29 7.64 -1.26 -1.61 113.62 124.68 1a5u n SER 5161Ca -0.23 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.75 1a5u n SER 5161Cb 0.52 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 64.35 1a5u n SER 5161CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a5u h GLY 5162N 0.00 0.06 -0.02 0.23 0.00 -1.97 -0.33 103.07 101.04 1a5u h GLY 5162Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 47.33 47.49 1a5u h GLY 5162CO 0.00 0.02 0.32 0.83 0.00 0.00 0.00 176.54 177.71 1a5u h GLU 5163N 0.05 0.40 0.00 4.80 3.07 -1.89 0.55 114.58 121.55 1a5u h GLU 5163Ca 0.07 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1a5u h GLU 5163Cb 0.21 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1a5u h GLU 5163CO -0.01 0.26 -1.37 0.25 -1.40 0.00 0.00 179.01 176.75 1a5u n THR 5164N -5.04 0.00 0.00 1.13 -2.24 -0.97 -3.87 114.28 103.30 1a5u n THR 5164Ca 0.17 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.62 1a5u n THR 5164Cb 0.51 0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.98 1a5u n THR 5164CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u h ALA 5165N 1.17 0.68 0.00 6.98 0.00 -0.51 -3.34 119.26 124.24 1a5u h ALA 5165Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1a5u h ALA 5165Cb 0.49 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1a5u h ALA 5165CO 0.00 1.43 -0.14 0.36 0.00 0.00 0.00 179.25 180.90 1a5u n LYS 5166N -3.09 3.62 -0.60 0.00 2.85 -0.84 -1.08 118.16 119.02 1a5u n LYS 5166Ca -0.12 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.83 1a5u n LYS 5166Cb 1.00 -0.43 0.20 0.00 -0.65 0.00 0.00 35.03 35.15 1a5u n LYS 5166CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a5u n GLY 5167N 0.41 -1.10 0.17 2.58 0.00 0.19 -4.73 105.19 102.70 1a5u n GLY 5167Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 46.02 45.18 1a5u n GLY 5167CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5u h ASP 5168N -2.20 0.00 -2.20 1.61 3.32 -0.80 -3.38 116.42 112.76 1a5u h ASP 5168Ca -0.50 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 55.97 1a5u h ASP 5168Cb 1.30 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.43 1a5u h ASP 5168CO 0.44 0.38 -0.75 -1.22 -1.72 0.00 0.00 179.24 176.37 1a5u n TYR 5169N -3.28 3.07 -0.09 4.55 4.01 -1.26 -4.94 117.16 119.23 1a5u n TYR 5169Ca 0.02 -3.98 -0.08 0.00 -0.16 0.00 0.00 57.90 53.70 1a5u n TYR 5169Cb 0.63 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1a5u n TYR 5169CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1a5u h PRO 5170N 3.30 0.32 -0.25 -0.72 0.10 -1.75 -2.77 132.00 130.23 1a5u h PRO 5170Ca 0.14 -0.02 -0.06 0.00 0.10 0.00 0.00 66.00 66.15 1a5u h PRO 5170Cb 0.63 -0.07 -0.01 0.00 0.10 0.00 0.00 31.00 31.65 1a5u h PRO 5170CO 0.75 0.21 -0.09 -0.07 0.10 0.00 0.00 178.00 178.91 1a5u h LEU 5171N 0.33 0.51 -1.09 2.35 3.38 -1.92 -2.92 115.31 115.95 1a5u h LEU 5171Ca 0.12 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 57.81 1a5u h LEU 5171Cb 0.03 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1a5u h LEU 5171CO -0.08 0.78 0.61 -0.33 0.09 0.00 0.00 178.44 179.51 1a5u h GLU 5172N 0.23 0.96 0.56 1.13 3.07 -1.92 0.42 114.58 119.04 1a5u h GLU 5172Ca 0.06 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1a5u h GLU 5172Cb 0.57 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1a5u h GLU 5172CO 0.03 0.64 -0.39 0.00 -1.40 0.00 0.00 179.01 177.88 1a5u h ALA 5173N 1.53 -0.95 -0.54 3.43 0.00 -1.36 0.63 119.26 122.00 1a5u h ALA 5173Ca 0.45 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1a5u h ALA 5173Cb 0.38 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1a5u h ALA 5173CO -0.21 -1.06 0.25 0.28 0.00 0.00 0.00 179.25 178.51 1a5u h VAL 5174N -0.92 0.90 -0.84 0.00 2.07 -1.32 -0.42 116.25 115.72 1a5u h VAL 5174Ca -0.06 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1a5u h VAL 5174Cb 0.77 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1a5u h VAL 5174CO 0.03 0.09 0.51 0.03 0.02 0.00 0.00 177.57 178.25 1a5u h ARG 5175N 0.47 1.13 -0.24 1.57 3.08 -0.45 -2.32 114.38 117.63 1a5u h ARG 5175Ca 0.25 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1a5u h ARG 5175Cb 0.20 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1a5u h ARG 5175CO -0.20 0.79 0.09 1.98 -1.07 0.00 0.00 179.97 181.57 1a5u h MET 5176N 1.15 0.35 -0.77 0.04 4.05 0.80 -2.16 114.93 118.39 1a5u h MET 5176Ca 0.30 -0.07 0.05 0.00 -0.28 0.00 0.00 59.70 59.71 1a5u h MET 5176Cb -0.05 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.65 1a5u h MET 5176CO -0.06 0.40 0.51 1.96 0.23 0.00 0.00 176.91 179.95 1a5u h GLN 5177N 0.23 0.85 -0.43 0.39 4.20 -0.79 -1.89 115.11 117.67 1a5u h GLN 5177Ca 0.08 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1a5u h GLN 5177Cb 0.18 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1a5u h GLN 5177CO -0.01 0.56 0.06 1.25 -0.67 0.00 0.00 178.83 180.02 1a5u h HIS 5178N 0.87 0.77 -0.15 2.96 2.76 -1.13 -1.01 115.15 120.21 1a5u h HIS 5178Ca 0.32 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1a5u h HIS 5178Cb 0.17 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1a5u h HIS 5178CO -0.00 0.74 0.07 -0.07 -1.30 0.00 0.00 177.93 177.36 1a5u h LEU 5179N 0.57 0.21 -0.27 0.26 3.38 -1.05 -2.64 115.31 115.76 1a5u h LEU 5179Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1a5u h LEU 5179Cb 0.39 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1a5u h LEU 5179CO 0.01 0.30 0.14 0.40 0.09 0.00 0.00 178.44 179.38 1a5u h ILE 5180N 0.10 1.14 -0.43 1.22 2.04 -1.32 -3.06 117.51 117.20 1a5u h ILE 5180Ca 0.05 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.61 1a5u h ILE 5180Cb 0.15 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 1a5u h ILE 5180CO -0.01 0.14 -0.13 0.00 0.00 0.00 0.00 178.15 178.16 1a5u h ALA 5181N 1.00 0.26 -0.49 1.87 0.00 -1.15 -1.28 119.26 119.47 1a5u h ALA 5181Ca 0.10 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1a5u h ALA 5181Cb 0.10 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1a5u h ALA 5181CO -0.01 -0.47 0.21 0.00 0.00 0.00 0.00 179.25 178.98 1a5u h ARG 5182N -0.02 0.40 -0.48 0.00 3.08 -1.42 0.29 114.38 116.23 1a5u h ARG 5182Ca 0.21 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1a5u h ARG 5182Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1a5u h ARG 5182CO -0.46 0.26 0.05 0.93 -1.07 0.00 0.00 179.97 179.68 1a5u h GLU 5183N 0.41 0.76 0.15 0.04 4.39 -1.29 -2.85 114.58 116.19 1a5u h GLU 5183Ca 0.22 -0.18 -0.29 0.00 0.34 0.00 0.00 59.36 59.45 1a5u h GLU 5183Cb 0.19 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1a5u h GLU 5183CO -0.20 0.74 -1.36 0.00 -1.16 0.00 0.00 179.01 177.04 1a5u h ALA 5184N 1.33 0.08 -0.27 3.43 0.00 -0.61 -2.89 119.26 120.33 1a5u h ALA 5184Ca 0.15 -0.93 0.01 0.00 0.00 0.00 0.00 54.91 54.14 1a5u h ALA 5184Cb 0.38 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1a5u h ALA 5184CO 0.01 0.96 0.18 0.93 0.00 0.00 0.00 179.25 181.33 1a5u h GLU 5185N 0.09 0.32 -0.03 0.00 5.08 -0.36 -0.57 114.58 119.11 1a5u h GLU 5185Ca -0.18 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 1a5u h GLU 5185Cb 2.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.19 1a5u h GLU 5185CO 0.21 0.21 -0.70 0.00 -1.00 0.00 0.00 179.01 177.73 1a5u h ALA 5186N 1.84 0.77 0.00 3.43 0.00 -1.49 -3.13 119.26 120.67 1a5u h ALA 5186Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a5u h ALA 5186Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1a5u h ALA 5186CO -0.02 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.05 1a5u n ALA 5187N -2.45 2.22 -0.73 0.00 0.00 -0.25 -4.57 120.51 114.74 1a5u n ALA 5187Ca -0.02 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 1a5u n ALA 5187Cb 0.69 -1.36 0.18 0.00 0.00 0.00 0.00 19.45 18.95 1a5u n ALA 5187CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a5u s MET 5188N -2.34 0.64 -0.76 0.00 -1.94 -1.04 -4.93 119.30 108.93 1a5u s MET 5188Ca 0.26 1.31 0.03 0.00 -1.71 0.00 0.00 55.69 55.59 1a5u s MET 5188Cb 0.15 -1.70 0.29 0.00 2.01 0.00 0.00 34.83 35.58 1a5u s MET 5188CO 0.31 -2.81 1.06 0.34 -0.01 0.00 0.00 175.02 173.90 1a5u n PHE 5189N -4.34 3.34 -0.33 -0.03 -0.00 -1.26 -4.85 117.46 109.99 1a5u n PHE 5189Ca 0.09 -3.62 0.01 0.00 -0.00 0.00 0.00 57.45 53.93 1a5u n PHE 5189Cb 0.53 -0.76 0.08 0.00 -0.00 0.00 0.00 39.48 39.33 1a5u n PHE 5189CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1a5u h HIS 5190N 4.21 -0.77 -0.08 -5.13 3.86 -1.91 -0.42 115.15 114.91 1a5u h HIS 5190Ca 0.22 0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.56 1a5u h HIS 5190Cb 0.58 0.47 -0.06 0.00 1.06 0.00 0.00 27.41 29.46 1a5u h HIS 5190CO 0.87 -0.40 -0.42 -0.09 0.86 0.00 0.00 177.93 178.75 1a5u h ARG 5191N -0.02 -0.50 0.12 2.45 1.12 -1.91 0.11 114.38 115.74 1a5u h ARG 5191Ca 0.38 0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.29 1a5u h ARG 5191Cb 0.63 0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 1a5u h ARG 5191CO -0.92 -0.33 -0.15 0.87 -3.11 0.00 0.00 179.97 176.32 1a5u h LYS 5192N -0.52 -0.30 -0.56 0.20 1.79 -1.83 -2.71 116.57 112.64 1a5u h LYS 5192Ca 0.06 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.67 1a5u h LYS 5192Cb 0.63 0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 31.24 1a5u h LYS 5192CO -0.37 -0.20 -0.17 1.25 -1.08 0.00 0.00 179.45 178.89 1a5u h LEU 5193N -0.31 -0.60 -0.15 2.94 5.85 -0.62 -0.48 115.31 121.93 1a5u h LEU 5193Ca 0.01 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1a5u h LEU 5193Cb 0.31 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1a5u h LEU 5193CO -0.06 -0.21 0.08 0.15 -0.34 0.00 0.00 178.44 178.06 1a5u h PHE 5194N -0.03 0.15 -0.21 1.25 3.57 -0.66 0.41 116.94 121.41 1a5u h PHE 5194Ca 0.27 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1a5u h PHE 5194Cb 0.44 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1a5u h PHE 5194CO -0.49 0.09 0.03 0.93 -2.23 0.00 0.00 178.31 176.64 1a5u h GLU 5195N 0.17 0.10 -0.24 1.11 5.08 -1.06 0.33 114.58 120.07 1a5u h GLU 5195Ca 0.06 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1a5u h GLU 5195Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1a5u h GLU 5195CO -0.03 0.07 -0.03 0.93 -1.00 0.00 0.00 179.01 178.95 1a5u h GLU 5196N 0.11 0.36 -0.29 2.33 5.08 -0.77 0.14 114.58 121.54 1a5u h GLU 5196Ca 0.10 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1a5u h GLU 5196Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1a5u h GLU 5196CO -0.14 0.41 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.78 1a5u h LEU 5197N 0.35 0.78 -0.73 1.33 3.38 -0.22 -1.56 115.31 118.65 1a5u h LEU 5197Ca 0.08 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1a5u h LEU 5197Cb 0.28 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1a5u h LEU 5197CO 0.01 1.10 -0.04 0.00 0.09 0.00 0.00 178.44 179.60 1a5u h ALA 5198N 0.93 0.93 0.74 1.53 0.00 -0.35 -2.67 119.26 120.36 1a5u h ALA 5198Ca 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1a5u h ALA 5198Cb 0.98 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1a5u h ALA 5198CO 0.09 0.63 -0.35 0.00 0.00 0.00 0.00 179.25 179.62 1a5u h ARG 5199N 0.85 -0.95 -0.07 0.00 3.08 -0.53 -2.33 114.38 114.42 1a5u h ARG 5199Ca 0.15 0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.29 1a5u h ARG 5199Cb 0.56 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1a5u h ARG 5199CO 0.03 -0.62 0.53 0.66 -1.07 0.00 0.00 179.97 179.50 1a5u h SER 5200N -1.07 0.00 0.00 7.04 4.64 -1.16 0.65 113.55 123.65 1a5u h SER 5200Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1a5u h SER 5200Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1a5u h SER 5200CO 0.17 0.00 -0.00 -1.54 -0.87 0.00 0.00 176.83 174.58 1a5u n SER 5201N -2.89 1.82 -0.06 4.97 3.41 -1.02 -4.70 113.62 115.16 1a5u n SER 5201Ca 0.00 -1.96 0.25 0.00 -0.26 0.00 0.00 58.87 56.90 1a5u n SER 5201Cb 0.59 -0.02 0.70 0.00 -0.26 0.00 0.00 64.21 65.22 1a5u n SER 5201CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a5u h SER 5202N 0.00 0.00 -0.72 4.04 4.64 -0.29 0.59 113.55 121.81 1a5u h SER 5202Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1a5u h SER 5202Cb 0.57 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.63 1a5u h SER 5202CO 0.00 0.00 0.48 1.12 -0.87 0.00 0.00 176.83 177.56 1a5u h HIS 5203N 0.00 0.88 -3.91 4.77 2.07 -1.84 -3.43 115.15 113.69 1a5u h HIS 5203Ca 0.33 0.02 -0.46 0.00 -2.85 0.00 0.00 60.37 57.41 1a5u h HIS 5203Cb 1.61 -0.30 -0.02 0.00 2.57 0.00 0.00 27.41 31.27 1a5u h HIS 5203CO 0.00 0.54 0.30 0.45 -3.07 0.00 0.00 177.93 176.15 1a5u s SER 5204N -6.36 7.09 -0.09 3.10 0.15 0.21 -4.97 113.70 112.83 1a5u s SER 5204Ca -0.11 1.68 0.13 0.00 0.70 0.00 0.00 55.95 58.36 1a5u s SER 5204Cb 0.18 -2.53 0.26 0.00 -1.71 0.00 0.00 66.02 62.22 1a5u s SER 5204CO 0.78 -0.20 1.13 0.35 1.20 0.00 0.00 173.24 176.50 1a5u n THR 5205N -0.02 1.14 -1.71 6.45 -2.24 -1.26 -5.04 114.28 111.60 1a5u n THR 5205Ca 0.04 -1.64 -0.40 0.00 -2.27 0.00 0.00 64.05 59.78 1a5u n THR 5205Cb 0.52 0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1a5u n THR 5205CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a5u n ASP 5206N -0.68 2.43 -0.06 3.42 -0.08 -1.26 -4.88 116.55 115.44 1a5u n ASP 5206Ca 0.11 1.04 -0.10 0.00 -1.51 0.00 0.00 54.79 54.32 1a5u n ASP 5206Cb 0.74 -1.51 -0.04 0.00 2.34 0.00 0.00 41.12 42.65 1a5u n ASP 5206CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1a5u h LEU 5207N 1.74 0.29 -0.47 -2.67 3.38 -1.99 -1.75 115.31 113.84 1a5u h LEU 5207Ca -0.49 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.24 1a5u h LEU 5207Cb 1.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1a5u h LEU 5207CO 0.58 0.33 -0.18 -0.03 0.09 0.00 0.00 178.44 179.23 1a5u h MET 5208N 0.23 0.95 -0.82 1.13 4.05 -1.93 -1.89 114.93 116.66 1a5u h MET 5208Ca 0.08 -0.40 0.09 0.00 -0.28 0.00 0.00 59.70 59.19 1a5u h MET 5208Cb 0.12 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 30.81 1a5u h MET 5208CO -0.01 1.06 0.47 0.93 0.23 0.00 0.00 176.91 179.59 1a5u h GLU 5209N 0.80 0.78 -0.05 0.39 5.08 -1.90 0.39 114.58 120.07 1a5u h GLU 5209Ca 0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1a5u h GLU 5209Cb 0.75 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1a5u h GLU 5209CO 0.06 0.51 0.03 0.00 -1.00 0.00 0.00 179.01 178.61 1a5u h ALA 5210N 1.44 0.06 -0.27 3.43 0.00 -1.12 0.71 119.26 123.52 1a5u h ALA 5210Ca 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1a5u h ALA 5210Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1a5u h ALA 5210CO -0.24 -0.41 0.05 0.52 0.00 0.00 0.00 179.25 179.17 1a5u h MET 5211N 0.02 0.39 -0.15 0.00 2.86 -0.67 0.31 114.93 117.69 1a5u h MET 5211Ca 0.02 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 1a5u h MET 5211Cb 0.05 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1a5u h MET 5211CO -0.00 0.38 -0.40 0.00 1.06 0.00 0.00 176.91 177.95 1a5u h ALA 5212N 1.67 0.25 -0.35 6.32 0.00 0.09 0.08 119.26 127.33 1a5u h ALA 5212Ca 0.09 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1a5u h ALA 5212Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1a5u h ALA 5212CO -0.00 0.35 -0.39 0.52 0.00 0.00 0.00 179.25 179.73 1a5u h MET 5213N 0.16 0.83 0.28 0.00 2.86 -0.51 -0.41 114.93 118.14 1a5u h MET 5213Ca -0.01 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 1a5u h MET 5213Cb 1.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1a5u h MET 5213CO 0.09 1.07 -0.20 0.78 1.06 0.00 0.00 176.91 179.71 1a5u h GLY 5214N 0.87 -0.48 0.47 8.32 0.00 -0.37 -0.45 103.07 111.42 1a5u h GLY 5214Ca 0.06 0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.63 1a5u h GLY 5214CO 0.09 -0.19 -0.24 1.76 0.00 0.00 0.00 176.54 177.95 1a5u h SER 5215N -0.47 -0.72 -0.41 0.19 0.02 -0.90 0.03 113.55 111.29 1a5u h SER 5215Ca -0.02 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1a5u h SER 5215Cb 0.41 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1a5u h SER 5215CO 0.00 -0.32 0.15 0.58 -1.14 0.00 0.00 176.83 176.11 1a5u h VAL 5216N -0.40 1.19 -0.34 2.27 2.07 -1.03 0.22 116.25 120.24 1a5u h VAL 5216Ca 0.05 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1a5u h VAL 5216Cb 0.47 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1a5u h VAL 5216CO -0.20 0.24 0.05 -0.08 0.02 0.00 0.00 177.57 177.60 1a5u h GLU 5217N 0.67 0.56 -0.25 1.57 4.57 -0.72 -1.49 114.58 119.50 1a5u h GLU 5217Ca 0.16 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1a5u h GLU 5217Cb 0.20 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1a5u h GLU 5217CO -0.01 0.65 0.16 0.00 -1.18 0.00 0.00 179.01 178.63 1a5u h ALA 5218N 0.89 0.32 -0.91 2.92 0.00 -0.49 0.28 119.26 122.27 1a5u h ALA 5218Ca 0.10 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1a5u h ALA 5218Cb 0.37 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1a5u h ALA 5218CO 0.01 -0.19 0.49 0.66 0.00 0.00 0.00 179.25 180.23 1a5u h SER 5219N 0.32 0.59 -0.17 0.00 4.64 -0.16 -1.00 113.55 117.76 1a5u h SER 5219Ca 0.09 0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1a5u h SER 5219Cb -0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1a5u h SER 5219CO -0.02 0.20 -0.30 1.88 -0.87 0.00 0.00 176.83 177.72 1a5u h TYR 5220N 0.63 0.63 -0.07 4.77 0.05 -0.86 0.38 116.97 122.50 1a5u h TYR 5220Ca 0.52 -0.22 0.04 0.00 0.05 0.00 0.00 58.73 59.12 1a5u h TYR 5220Cb 0.82 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 38.39 1a5u h TYR 5220CO -0.07 0.93 -0.26 -0.22 -1.05 0.00 0.00 178.16 177.50 1a5u h LYS 5221N 0.14 -0.35 -0.51 4.88 1.63 0.37 -2.65 116.57 120.10 1a5u h LYS 5221Ca 0.01 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1a5u h LYS 5221Cb 0.89 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1a5u h LYS 5221CO 0.07 -0.23 0.00 0.00 -3.45 0.00 0.00 179.45 175.84 1a5u n LEU 5223N 1.25 -2.69 -4.57 0.00 4.77 -0.02 -4.90 117.00 110.85 1a5u n LEU 5223Ca 0.20 -0.78 -0.37 0.00 -0.03 0.00 0.00 56.01 55.03 1a5u n LEU 5223Cb 0.52 -2.59 0.06 0.00 -2.33 0.00 0.00 43.42 39.08 1a5u n LEU 5223CO 0.14 0.46 0.38 0.00 -1.33 0.00 0.00 177.39 177.05 1a5u n ALA 5224N -4.61 -0.42 0.27 -1.18 0.00 -0.34 -4.89 120.51 109.33 1a5u n ALA 5224Ca -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.45 1a5u n ALA 5224Cb 0.56 -2.02 0.38 0.00 0.00 0.00 0.00 19.45 18.36 1a5u n ALA 5224CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5u h ALA 5225N 0.09 1.00 -1.96 0.00 0.00 -0.35 -3.44 119.26 114.61 1a5u h ALA 5225Ca -0.47 0.00 0.23 0.00 0.00 0.00 0.00 54.91 54.67 1a5u h ALA 5225Cb 1.36 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 1a5u h ALA 5225CO 0.48 0.00 0.63 0.00 0.00 0.00 0.00 179.25 180.36 1a5u s ALA 5226N -3.37 -1.91 -0.11 0.00 0.00 -1.25 -4.19 121.76 110.93 1a5u s ALA 5226Ca 0.05 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1a5u s ALA 5226Cb 0.07 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.67 1a5u s ALA 5226CO 0.61 -0.99 -0.22 -0.51 0.00 0.00 0.00 175.76 174.66 1a5u s LEU 5227N -2.87 2.02 -0.26 0.00 1.02 -0.54 -1.39 118.68 116.67 1a5u s LEU 5227Ca 0.12 -0.53 -0.07 0.00 0.02 0.00 0.00 54.13 53.66 1a5u s LEU 5227Cb 0.01 -1.34 -0.02 0.00 0.02 0.00 0.00 46.19 44.86 1a5u s LEU 5227CO -0.01 0.12 0.08 -0.63 0.02 0.00 0.00 176.35 175.92 1a5u s ILE 5228N 0.53 4.32 -0.09 -0.59 1.01 0.17 0.13 121.20 126.69 1a5u s ILE 5228Ca -0.15 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1a5u s ILE 5228Cb -0.17 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.26 1a5u s ILE 5228CO 0.05 0.30 -0.19 -0.69 0.00 0.00 0.00 174.94 174.41 1a5u s VAL 5229N 1.61 1.64 -0.26 2.92 1.01 -0.32 -0.22 120.40 126.78 1a5u s VAL 5229Ca 0.06 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1a5u s VAL 5229Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1a5u s VAL 5229CO 0.04 0.47 0.37 -0.76 0.00 0.00 0.00 175.10 175.21 1a5u s LEU 5230N 0.51 4.06 -0.05 3.92 1.43 -0.97 -0.65 118.68 126.93 1a5u s LEU 5230Ca -0.17 0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 1a5u s LEU 5230Cb -0.17 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.65 1a5u s LEU 5230CO 0.06 -0.16 0.36 0.28 0.23 0.00 0.00 176.35 177.12 1a5u s THR 5231N 1.91 0.04 -0.20 5.49 -1.32 -0.40 -4.80 115.64 116.36 1a5u s THR 5231Ca 0.15 -0.32 -0.03 0.00 -1.21 0.00 0.00 61.69 60.28 1a5u s THR 5231Cb -0.16 -0.63 -0.11 0.00 -1.51 0.00 0.00 72.50 70.10 1a5u s THR 5231CO 0.09 -0.18 -0.20 -0.62 -2.21 0.00 0.00 174.62 171.50 1a5u n GLU 5232N 1.63 0.46 0.12 7.08 -0.58 -1.26 -3.97 120.64 124.11 1a5u n GLU 5232Ca -0.19 0.14 0.10 0.00 -0.42 0.00 0.00 57.16 56.79 1a5u n GLU 5232Cb 0.56 -1.32 0.02 0.00 -0.57 0.00 0.00 31.44 30.13 1a5u n GLU 5232CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a5u h SER 5233N -0.27 0.00 0.00 1.62 4.64 -1.97 -3.42 113.55 114.14 1a5u h SER 5233Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1a5u h SER 5233Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1a5u h SER 5233CO -0.16 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 1a5u n GLY 5234N 1.19 3.36 0.37 -0.77 0.00 -1.26 -4.93 105.19 103.15 1a5u n GLY 5234Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a5u n GLY 5234CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5u n ARG 5235N -1.68 -0.20 -0.33 1.61 3.00 -1.26 0.30 116.66 118.10 1a5u n ARG 5235Ca 0.00 1.51 -0.04 0.00 -0.00 0.00 0.00 57.85 59.33 1a5u n ARG 5235Cb 0.00 -2.25 0.09 0.00 0.00 0.00 0.00 32.46 30.30 1a5u n ARG 5235CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1a5u h SER 5236N 0.00 1.07 0.15 6.15 0.02 -1.92 -1.02 113.55 118.00 1a5u h SER 5236Ca 0.37 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1a5u h SER 5236Cb 0.61 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1a5u h SER 5236CO -0.98 0.82 -0.07 0.00 -1.14 0.00 0.00 176.83 175.46 1a5u h ALA 5237N 1.29 -0.21 -0.71 3.77 0.00 -0.50 -2.54 119.26 120.37 1a5u h ALA 5237Ca 0.32 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.27 1a5u h ALA 5237Cb -0.05 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 1a5u h ALA 5237CO -0.06 -0.54 0.06 0.45 0.00 0.00 0.00 179.25 179.16 1a5u h HIS 5238N -0.37 0.06 -0.00 0.00 -0.00 -0.18 0.51 115.15 115.17 1a5u h HIS 5238Ca -0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1a5u h HIS 5238Cb 0.29 0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.79 1a5u h HIS 5238CO -0.02 -0.17 -0.04 1.96 -0.00 0.00 0.00 177.93 179.66 1a5u h GLN 5239N 0.16 0.01 -0.00 2.45 1.08 -1.14 -1.51 115.11 116.15 1a5u h GLN 5239Ca 0.39 -0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.41 1a5u h GLN 5239Cb 0.66 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1a5u h GLN 5239CO -0.57 0.04 -0.70 0.28 -0.95 0.00 0.00 178.83 176.93 1a5u h VAL 5240N 0.01 1.39 -0.50 -0.54 2.07 0.39 -3.27 116.25 115.80 1a5u h VAL 5240Ca 0.00 -2.11 0.08 0.00 0.82 0.00 0.00 66.70 65.49 1a5u h VAL 5240Cb 0.07 2.54 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 1a5u h VAL 5240CO 0.00 0.62 0.13 0.00 0.02 0.00 0.00 177.57 178.35 1a5u h ALA 5241N 0.34 0.58 -1.15 1.67 0.00 -0.52 -2.31 119.26 117.87 1a5u h ALA 5241Ca -0.09 0.09 0.33 0.00 0.00 0.00 0.00 54.91 55.25 1a5u h ALA 5241Cb 1.40 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 1a5u h ALA 5241CO 0.14 -0.28 0.74 0.07 0.00 0.00 0.00 179.25 179.92 1a5u h ARG 5242N 0.27 0.25 -0.00 0.00 0.11 -1.35 1.14 114.38 114.81 1a5u h ARG 5242Ca 0.25 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1a5u h ARG 5242Cb 0.31 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1a5u h ARG 5242CO -0.30 0.17 -0.00 0.66 0.10 0.00 0.00 179.97 180.60 1a5u n TYR 5243N -4.64 0.00 -3.42 4.08 4.01 -0.87 -4.96 117.16 111.36 1a5u n TYR 5243Ca 0.30 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.87 1a5u n TYR 5243Cb 1.11 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 40.16 1a5u n TYR 5243CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a5u n ARG 5244N -1.00 -1.47 -0.91 -0.72 5.12 0.39 -4.79 116.66 113.29 1a5u n ARG 5244Ca 0.24 0.95 -0.29 0.00 -1.93 0.00 0.00 57.85 56.82 1a5u n ARG 5244Cb 0.11 -4.61 0.20 0.00 -1.16 0.00 0.00 32.46 27.00 1a5u n ARG 5244CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1a5u s PRO 5245N -4.49 0.00 -0.03 5.56 0.01 -1.26 -4.92 135.00 129.87 1a5u s PRO 5245Ca 0.22 0.72 0.02 0.00 0.01 0.00 0.00 61.00 61.97 1a5u s PRO 5245Cb -0.06 -1.67 -0.25 0.00 0.01 0.00 0.00 34.50 32.52 1a5u s PRO 5245CO 0.81 -3.07 0.72 -0.09 0.01 0.00 0.00 177.00 175.38 1a5u h ARG 5246N -2.15 0.16 -6.80 5.54 2.43 -1.94 -3.47 114.38 108.15 1a5u h ARG 5246Ca -0.56 -0.27 -0.49 0.00 -0.81 0.00 0.00 59.98 57.85 1a5u h ARG 5246Cb 1.32 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1a5u h ARG 5246CO 0.54 0.93 0.39 0.00 -1.51 0.00 0.00 179.97 180.31 1a5u s ALA 5247N -2.61 3.32 0.91 2.80 0.00 -1.26 -5.02 121.76 119.90 1a5u s ALA 5247Ca -0.10 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.42 1a5u s ALA 5247Cb 0.07 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 20.02 1a5u s ALA 5247CO 0.82 0.08 0.67 -0.35 0.00 0.00 0.00 175.76 176.99 1a5u n PRO 5248N 1.14 -0.25 -4.08 0.00 -0.04 -1.26 -4.65 135.00 125.87 1a5u n PRO 5248Ca -0.01 -0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 1a5u n PRO 5248Cb 0.47 -2.04 -0.15 0.00 -0.04 0.00 0.00 33.50 31.74 1a5u n PRO 5248CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1a5u s ILE 5249N -2.39 2.16 -0.48 0.52 1.01 0.08 -1.46 121.20 120.64 1a5u s ILE 5249Ca 0.61 -1.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.58 1a5u s ILE 5249Cb -0.23 -2.21 0.05 0.00 0.01 0.00 0.00 42.46 40.08 1a5u s ILE 5249CO 0.63 0.08 0.55 -0.63 0.00 0.00 0.00 174.94 175.56 1a5u s ILE 5250N 1.14 4.98 -0.28 2.92 1.01 0.12 0.12 121.20 131.21 1a5u s ILE 5250Ca -0.06 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 1a5u s ILE 5250Cb -0.19 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1a5u s ILE 5250CO -0.06 -0.66 0.16 0.00 0.00 0.00 0.00 174.94 174.37 1a5u s ALA 5251N 2.38 3.43 -0.22 9.38 0.00 0.08 -1.18 121.76 135.64 1a5u s ALA 5251Ca 0.13 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 1a5u s ALA 5251Cb -0.19 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 1a5u s ALA 5251CO 0.12 -0.56 0.15 0.08 0.00 0.00 0.00 175.76 175.55 1a5u s VAL 5252N 1.72 5.38 0.10 0.00 1.01 0.18 0.62 120.40 129.41 1a5u s VAL 5252Ca 0.07 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.12 1a5u s VAL 5252Cb -0.16 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1a5u s VAL 5252CO 0.09 0.39 0.34 0.28 0.00 0.00 0.00 175.10 176.20 1a5u s THR 5253N 0.68 0.09 -2.22 3.92 -1.32 -0.68 -1.27 115.64 114.82 1a5u s THR 5253Ca 0.08 -0.72 0.21 0.00 -1.21 0.00 0.00 61.69 60.05 1a5u s THR 5253Cb -0.12 -1.17 0.07 0.00 -1.51 0.00 0.00 72.50 69.77 1a5u s THR 5253CO 0.01 -0.40 1.09 0.54 -2.21 0.00 0.00 174.62 173.65 1a5u n ARG 5254N -0.04 1.65 -3.24 7.08 1.74 -1.26 0.82 116.66 123.42 1a5u n ARG 5254Ca -0.16 -1.32 -0.43 0.00 -0.77 0.00 0.00 57.85 55.17 1a5u n ARG 5254Cb 0.63 -1.41 -0.07 0.00 -1.02 0.00 0.00 32.46 30.58 1a5u n ARG 5254CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a5u s ASN 5255N -2.06 6.22 0.36 0.55 3.84 -1.26 -4.87 114.94 117.72 1a5u s ASN 5255Ca 0.20 -0.79 0.06 0.00 0.21 0.00 0.00 52.86 52.55 1a5u s ASN 5255Cb 0.17 -2.26 0.70 0.00 -0.55 0.00 0.00 41.25 39.31 1a5u s ASN 5255CO 0.41 -0.73 1.93 0.45 -2.79 0.00 0.00 177.10 176.36 1a5u h HIS 5256N 8.85 0.50 -0.50 0.43 3.86 -1.94 -2.11 115.15 124.24 1a5u h HIS 5256Ca -0.27 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 58.81 1a5u h HIS 5256Cb 1.10 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 1a5u h HIS 5256CO 0.68 0.46 -0.06 0.37 0.86 0.00 0.00 177.93 180.24 1a5u h GLN 5257N 0.48 0.92 -0.73 2.45 4.15 -1.96 -2.25 115.11 118.17 1a5u h GLN 5257Ca 0.11 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1a5u h GLN 5257Cb 0.23 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 1a5u h GLN 5257CO 0.00 0.98 0.46 1.15 -1.93 0.00 0.00 178.83 179.49 1a5u h THR 5258N 0.78 1.19 -0.31 2.39 2.02 -1.79 0.17 112.91 117.38 1a5u h THR 5258Ca 0.13 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 1a5u h THR 5258Cb 0.60 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1a5u h THR 5258CO 0.04 0.20 -0.17 0.00 0.37 0.00 0.00 175.52 175.95 1a5u h ALA 5259N 1.52 0.43 -0.13 6.16 0.00 -1.14 -0.97 119.26 125.13 1a5u h ALA 5259Ca 0.26 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1a5u h ALA 5259Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1a5u h ALA 5259CO -0.05 0.35 -0.54 0.00 0.00 0.00 0.00 179.25 179.01 1a5u h ARG 5260N 0.41 0.37 0.00 0.00 3.08 -0.98 -3.01 114.38 114.25 1a5u h ARG 5260Ca 0.06 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 1a5u h ARG 5260Cb 0.71 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1a5u h ARG 5260CO 0.05 0.82 -0.18 1.96 -1.07 0.00 0.00 179.97 181.55 1a5u h GLN 5261N 0.29 0.00 -0.55 0.04 4.20 -0.56 -3.21 115.11 115.33 1a5u h GLN 5261Ca 0.01 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.81 1a5u h GLN 5261Cb 1.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 1a5u h GLN 5261CO 0.09 0.18 0.37 0.00 -0.67 0.00 0.00 178.83 178.79 1a5u h ALA 5262N 1.82 2.05 0.00 3.87 0.00 -1.03 -0.77 119.26 125.21 1a5u h ALA 5262Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a5u h ALA 5262Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1a5u h ALA 5262CO 0.02 -0.18 0.06 0.45 0.00 0.00 0.00 179.25 179.60 1a5u h HIS 5263N 0.34 0.00 0.00 0.00 3.86 -1.71 0.55 115.15 118.20 1a5u h HIS 5263Ca 0.25 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1a5u h HIS 5263Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1a5u h HIS 5263CO -0.00 0.00 -0.17 1.25 0.86 0.00 0.00 177.93 179.87 1a5u h LEU 5264N 0.00 0.00 -9.24 2.43 5.85 -1.38 -3.40 115.31 109.58 1a5u h LEU 5264Ca 0.00 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.06 1a5u h LEU 5264Cb 0.11 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.99 1a5u h LEU 5264CO 0.00 0.17 -0.60 -0.31 -0.34 0.00 0.00 178.44 177.37 1a5u s TYR 5265N -4.35 3.22 0.03 1.25 1.51 0.18 -4.58 117.35 114.61 1a5u s TYR 5265Ca -0.03 0.15 -0.36 0.00 -1.01 0.00 0.00 57.07 55.82 1a5u s TYR 5265Cb 0.14 -1.89 -0.16 0.00 -0.11 0.00 0.00 41.96 39.95 1a5u s TYR 5265CO 0.64 0.38 1.50 -2.13 -1.11 0.00 0.00 175.55 174.83 1a5u n ARG 5266N 2.58 1.45 -2.48 -0.62 3.00 -1.26 -3.24 116.66 116.10 1a5u n ARG 5266Ca -0.18 0.53 -0.19 0.00 -0.00 0.00 0.00 57.85 58.00 1a5u n ARG 5266Cb 0.53 -2.22 -0.01 0.00 0.00 0.00 0.00 32.46 30.77 1a5u n ARG 5266CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5u n GLY 5267N 3.13 -0.50 3.47 5.14 0.00 0.25 -4.74 105.19 111.94 1a5u n GLY 5267Ca 0.20 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1a5u n GLY 5267CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 5268N -2.97 4.59 -0.50 -0.61 1.01 -1.20 -0.74 121.20 120.77 1a5u s ILE 5268Ca 0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 1a5u s ILE 5268Cb -0.01 -3.21 0.13 0.00 0.01 0.00 0.00 42.46 39.37 1a5u s ILE 5268CO 0.04 0.24 0.35 -0.36 0.00 0.00 0.00 174.94 175.21 1a5u s PHE 5269N 1.64 3.48 0.20 3.97 0.40 0.33 -4.62 117.98 123.38 1a5u s PHE 5269Ca 0.06 -2.13 -0.30 0.00 -0.60 0.00 0.00 56.93 53.96 1a5u s PHE 5269Cb -0.16 -3.42 -0.09 0.00 0.51 0.00 0.00 43.02 39.87 1a5u s PHE 5269CO 0.06 -0.97 1.26 -1.25 0.70 0.00 0.00 175.22 175.02 1a5u s PRO 5270N 1.04 4.43 -0.18 0.24 0.04 -1.26 -0.74 135.00 138.58 1a5u s PRO 5270Ca 0.09 1.99 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 1a5u s PRO 5270Cb -0.24 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.14 1a5u s PRO 5270CO -0.02 -0.18 -0.05 0.08 0.04 0.00 0.00 177.00 176.87 1a5u s VAL 5271N -0.03 1.14 -0.26 -0.36 1.01 0.20 -4.64 120.40 117.45 1a5u s VAL 5271Ca 0.55 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 1a5u s VAL 5271Cb -0.35 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1a5u s VAL 5271CO 0.38 0.09 1.05 -0.69 0.00 0.00 0.00 175.10 175.93 1a5u s VAL 5272N 1.61 4.62 -0.47 2.92 1.01 -1.26 -1.69 120.40 127.14 1a5u s VAL 5272Ca -0.00 1.91 -0.25 0.00 0.00 0.00 0.00 61.98 63.64 1a5u s VAL 5272Cb -0.16 -4.35 0.03 0.00 0.00 0.00 0.00 36.38 31.90 1a5u s VAL 5272CO -0.08 -0.29 0.90 0.00 0.00 0.00 0.00 175.10 175.64 1a5u n LYS 5274N 7.11 0.28 -0.59 0.00 5.02 -1.26 -4.43 118.16 124.30 1a5u n LYS 5274Ca 0.05 0.15 -0.30 0.00 -2.02 0.00 0.00 58.31 56.19 1a5u n LYS 5274Cb 0.48 -1.75 0.22 0.00 -0.02 0.00 0.00 35.03 33.97 1a5u n LYS 5274CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a5u s ASP 5275N -4.39 1.77 -0.00 4.39 1.01 -1.26 -4.99 116.67 113.20 1a5u s ASP 5275Ca 0.08 1.85 -0.07 0.00 0.71 0.00 0.00 52.55 55.12 1a5u s ASP 5275Cb 0.13 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 1a5u s ASP 5275CO 0.67 -3.76 0.27 -2.16 0.21 0.00 0.00 175.17 170.39 1a5u s PRO 5276N -4.53 3.59 -0.22 8.23 0.04 -1.26 -5.01 135.00 135.85 1a5u s PRO 5276Ca 0.68 -0.04 -0.39 0.00 0.04 0.00 0.00 61.00 61.29 1a5u s PRO 5276Cb -0.24 -3.09 -0.15 0.00 0.04 0.00 0.00 34.50 31.05 1a5u s PRO 5276CO 0.62 0.66 1.75 0.28 0.04 0.00 0.00 177.00 180.34 1a5u n VAL 5277N 1.23 0.34 -2.59 -0.36 0.31 -1.26 -4.93 118.33 111.07 1a5u n VAL 5277Ca -0.12 -0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 1a5u n VAL 5277Cb 0.53 -1.33 -0.04 0.00 -0.91 0.00 0.00 33.84 32.09 1a5u n VAL 5277CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1a5u s GLN 5278N 3.45 4.63 0.36 5.55 1.11 -1.26 -4.93 119.66 128.56 1a5u s GLN 5278Ca 0.96 1.63 0.12 0.00 0.01 0.00 0.00 55.36 58.08 1a5u s GLN 5278Cb -0.99 -3.31 0.90 0.00 -1.01 0.00 0.00 33.01 28.60 1a5u s GLN 5278CO 0.62 0.13 1.81 1.05 0.01 0.00 0.00 175.29 178.90 1a5u h GLU 5279N 5.26 0.58 -5.11 2.91 4.11 -1.99 -3.37 114.58 116.97 1a5u h GLU 5279Ca -0.44 -0.03 -0.65 0.00 0.07 0.00 0.00 59.36 58.31 1a5u h GLU 5279Cb 1.21 -0.13 -0.16 0.00 0.50 0.00 0.00 28.75 30.17 1a5u h GLU 5279CO 0.72 0.38 -0.17 0.00 0.07 0.00 0.00 179.01 180.02 1a5u s ALA 5280N -5.65 3.50 0.24 1.06 0.00 -1.26 -4.94 121.76 114.70 1a5u s ALA 5280Ca -0.10 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.72 1a5u s ALA 5280Cb 0.24 -2.90 0.43 0.00 0.00 0.00 0.00 23.12 20.89 1a5u s ALA 5280CO 0.79 -1.09 1.63 2.35 0.00 0.00 0.00 175.76 179.45 1a5u h TRP 5281N 8.42 -0.07 -0.49 0.00 2.91 -2.00 0.22 115.95 124.94 1a5u h TRP 5281Ca -0.29 0.06 0.09 0.00 1.13 0.00 0.00 58.89 59.88 1a5u h TRP 5281Cb 1.14 0.15 -0.08 0.00 -0.51 0.00 0.00 29.16 29.86 1a5u h TRP 5281CO 0.71 -0.25 0.01 0.00 -1.03 0.00 0.00 178.44 177.89 1a5u h ALA 5282N 1.71 0.48 0.00 2.65 0.00 -1.93 0.61 119.26 122.78 1a5u h ALA 5282Ca 0.41 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.32 1a5u h ALA 5282Cb 0.72 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1a5u h ALA 5282CO -0.67 -0.38 -0.69 0.93 0.00 0.00 0.00 179.25 178.44 1a5u h GLU 5283N 0.13 0.00 0.64 0.00 5.08 -1.22 0.22 114.58 119.42 1a5u h GLU 5283Ca 0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1a5u h GLU 5283Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1a5u h GLU 5283CO -0.40 0.69 -0.31 0.22 -1.00 0.00 0.00 179.01 178.22 1a5u h ASP 5284N 0.00 -0.72 -0.22 1.42 1.82 0.59 0.78 116.42 120.08 1a5u h ASP 5284Ca -0.01 0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.69 1a5u h ASP 5284Cb 1.25 0.19 -0.06 0.00 0.68 0.00 0.00 39.33 41.39 1a5u h ASP 5284CO 0.09 -0.48 -0.17 0.58 -1.61 0.00 0.00 179.24 177.65 1a5u h VAL 5285N -0.91 0.53 -0.70 2.25 2.07 -0.89 -0.89 116.25 117.70 1a5u h VAL 5285Ca -0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1a5u h VAL 5285Cb 0.67 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 1a5u h VAL 5285CO 0.14 0.00 0.27 0.44 0.02 0.00 0.00 177.57 178.44 1a5u h ASP 5286N -0.17 0.25 -0.24 0.57 5.19 -0.26 0.25 116.42 122.00 1a5u h ASP 5286Ca 0.13 0.10 0.05 0.00 -0.62 0.00 0.00 57.03 56.69 1a5u h ASP 5286Cb 0.36 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.90 1a5u h ASP 5286CO -0.32 0.12 -0.09 0.25 -3.12 0.00 0.00 179.24 176.07 1a5u h LEU 5287N 0.43 -0.31 -0.47 1.55 6.46 0.19 -1.06 115.31 122.10 1a5u h LEU 5287Ca 0.37 0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 58.12 1a5u h LEU 5287Cb 0.53 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1a5u h LEU 5287CO -0.37 -0.12 -0.09 0.03 -0.62 0.00 0.00 178.44 177.28 1a5u h ARG 5288N -0.04 0.88 -0.39 1.25 3.08 0.05 -1.76 114.38 117.44 1a5u h ARG 5288Ca 0.12 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1a5u h ARG 5288Cb 0.23 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1a5u h ARG 5288CO -0.27 0.97 0.16 0.28 -1.07 0.00 0.00 179.97 180.03 1a5u h VAL 5289N 0.72 1.15 -0.16 2.04 2.07 -0.29 -2.07 116.25 119.72 1a5u h VAL 5289Ca 0.12 -0.46 -0.17 0.00 0.82 0.00 0.00 66.70 67.02 1a5u h VAL 5289Cb 0.62 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1a5u h VAL 5289CO 0.04 0.18 -0.60 0.78 0.02 0.00 0.00 177.57 177.99 1a5u h ASN 5290N 0.55 0.59 -0.85 0.57 2.35 -0.76 -2.37 115.58 115.67 1a5u h ASN 5290Ca 0.14 -0.34 0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1a5u h ASN 5290Cb 0.11 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 38.23 1a5u h ASN 5290CO -0.02 1.06 0.49 0.25 -1.65 0.00 0.00 177.43 177.56 1a5u h LEU 5291N 0.39 0.70 -0.93 1.61 5.85 -0.76 0.27 115.31 122.43 1a5u h LEU 5291Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1a5u h LEU 5291Cb 1.15 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1a5u h LEU 5291CO 0.11 0.39 -0.24 0.00 -0.34 0.00 0.00 178.44 178.36 1a5u h ALA 5292N 1.47 0.98 -0.03 1.25 0.00 -1.07 -2.22 119.26 119.63 1a5u h ALA 5292Ca 0.41 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 1a5u h ALA 5292Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1a5u h ALA 5292CO -0.26 0.30 -0.90 0.52 0.00 0.00 0.00 179.25 178.91 1a5u h MET 5293N 0.00 0.47 -0.14 0.00 2.86 -0.03 -2.40 114.93 115.69 1a5u h MET 5293Ca -0.00 -0.48 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 1a5u h MET 5293Cb 0.83 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 1a5u h MET 5293CO 0.03 1.12 -0.02 -0.91 1.06 0.00 0.00 176.91 178.20 1a5u h ASN 5294N 0.28 0.26 0.59 1.22 -0.26 -0.98 -1.12 115.58 115.58 1a5u h ASN 5294Ca -0.07 -0.34 -0.02 0.00 -0.56 0.00 0.00 56.30 55.30 1a5u h ASN 5294Cb 1.53 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 38.71 1a5u h ASN 5294CO 0.16 0.54 -0.49 0.58 -1.06 0.00 0.00 177.43 177.16 1a5u h VAL 5295N -0.02 0.00 -0.90 2.81 2.07 -1.46 0.88 116.25 119.62 1a5u h VAL 5295Ca 0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.70 1a5u h VAL 5295Cb 0.41 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 1a5u h VAL 5295CO 0.01 0.00 0.50 1.23 0.02 0.00 0.00 177.57 179.33 1a5u h GLY 5296N -1.06 1.49 0.81 2.17 0.00 -1.48 2.64 103.07 107.65 1a5u h GLY 5296Ca -0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1a5u h GLY 5296CO -0.00 0.01 -0.16 0.50 0.00 0.00 0.00 176.54 176.89 1a5u h LYS 5297N 0.73 -0.43 -0.22 4.80 1.57 -0.78 0.48 116.57 122.72 1a5u h LYS 5297Ca 0.48 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.31 1a5u h LYS 5297Cb 0.64 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1a5u h LYS 5297CO -0.34 -0.17 0.08 0.00 -0.57 0.00 0.00 179.45 178.46 1a5u h ALA 5298N -0.05 0.24 0.00 3.86 0.00 0.25 -1.77 119.26 121.80 1a5u h ALA 5298Ca -0.05 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a5u h ALA 5298Cb 0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a5u h ALA 5298CO 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 179.25 178.98 1a5u h ARG 5299N 0.19 0.00 0.00 0.00 3.08 0.46 -3.46 114.38 114.65 1a5u h ARG 5299Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1a5u h ARG 5299Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1a5u h ARG 5299CO -0.09 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.23 1a5u n GLY 5300N -0.99 0.82 0.12 0.04 0.00 -0.10 -4.97 105.19 100.10 1a5u n GLY 5300Ca -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 1a5u n GLY 5300CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a5u h PHE 5301N 0.00 0.03 -2.39 1.61 0.04 -0.35 -3.46 116.94 112.42 1a5u h PHE 5301Ca 0.00 -0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.85 1a5u h PHE 5301Cb 0.00 -0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.01 1a5u h PHE 5301CO 0.00 0.75 0.45 -0.59 -0.60 0.00 0.00 178.31 178.33 1a5u s PHE 5302N -3.34 -0.35 0.27 -0.55 -0.12 -1.16 -4.90 117.98 107.84 1a5u s PHE 5302Ca -0.01 0.18 0.12 0.00 -0.05 0.00 0.00 56.93 57.17 1a5u s PHE 5302Cb 0.12 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 43.01 1a5u s PHE 5302CO 0.78 -0.62 -0.20 -1.59 -0.05 0.00 0.00 175.22 173.54 1a5u s LYS 5303N -3.23 1.66 0.16 1.99 -2.85 -1.26 -3.89 119.74 112.32 1a5u s LYS 5303Ca 0.05 -1.75 -0.34 0.00 -1.00 0.00 0.00 55.97 52.93 1a5u s LYS 5303Cb -0.01 -1.74 -0.15 0.00 -2.06 0.00 0.00 37.83 33.88 1a5u s LYS 5303CO -0.08 0.32 1.43 1.17 0.10 0.00 0.00 175.35 178.29 1a5u n LYS 5304N -0.59 1.76 0.00 1.78 4.81 -1.26 -0.99 118.16 123.66 1a5u n LYS 5304Ca -0.05 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1a5u n LYS 5304Cb 0.60 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.34 1a5u n LYS 5304CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a5u n GLY 5305N 2.71 2.30 3.71 3.14 0.00 -0.19 -4.92 105.19 111.93 1a5u n GLY 5305Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1a5u n GLY 5305CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a5u s ASP 5306N -0.58 2.87 -0.10 1.61 1.01 -0.17 -4.69 116.67 116.62 1a5u s ASP 5306Ca 0.00 1.14 -0.01 0.00 0.71 0.00 0.00 52.55 54.39 1a5u s ASP 5306Cb 0.00 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.12 1a5u s ASP 5306CO 0.00 -2.97 -0.04 -0.69 0.21 0.00 0.00 175.17 171.68 1a5u s VAL 5307N -3.05 3.96 0.02 -1.27 1.01 -1.26 -1.33 120.40 118.47 1a5u s VAL 5307Ca 0.65 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1a5u s VAL 5307Cb -0.18 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1a5u s VAL 5307CO 0.56 0.58 -0.09 -0.69 0.00 0.00 0.00 175.10 175.46 1a5u s VAL 5308N -0.55 0.70 -0.08 2.92 1.01 0.30 0.45 120.40 125.15 1a5u s VAL 5308Ca 0.09 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1a5u s VAL 5308Cb -0.12 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1a5u s VAL 5308CO 0.02 -0.00 0.34 -0.63 0.00 0.00 0.00 175.10 174.82 1a5u s ILE 5309N -0.62 5.20 -0.12 2.22 -1.09 -0.48 0.84 121.20 127.14 1a5u s ILE 5309Ca -0.01 0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 59.07 1a5u s ILE 5309Cb -0.06 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1a5u s ILE 5309CO 0.00 0.51 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.47 1a5u s VAL 5310N -0.49 0.96 -0.25 2.92 1.01 0.11 0.46 120.40 125.12 1a5u s VAL 5310Ca 0.20 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1a5u s VAL 5310Cb -0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1a5u s VAL 5310CO 0.09 0.28 0.07 -0.76 0.00 0.00 0.00 175.10 174.78 1a5u s LEU 5311N 1.73 3.47 0.28 3.92 1.43 0.69 -1.02 118.68 129.18 1a5u s LEU 5311Ca 0.04 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1a5u s LEU 5311Cb -0.13 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1a5u s LEU 5311CO -0.08 -0.05 0.36 0.42 0.23 0.00 0.00 176.35 177.23 1a5u s THR 5312N 1.61 0.00 -0.02 5.49 -4.23 0.65 -2.28 115.64 116.85 1a5u s THR 5312Ca 0.06 -1.72 -0.15 0.00 -1.18 0.00 0.00 61.69 58.70 1a5u s THR 5312Cb -0.15 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 1a5u s THR 5312CO 0.04 0.00 0.41 -0.83 -0.54 0.00 0.00 174.62 173.70 1a5u s GLY 5313N -3.19 2.46 0.32 3.99 0.00 -1.26 -0.30 107.32 109.34 1a5u s GLY 5313Ca 0.32 -0.22 0.10 0.00 0.00 0.00 0.00 44.72 44.92 1a5u s GLY 5313CO 0.17 0.24 1.72 -0.25 0.00 0.00 0.00 173.10 174.98 1a5u h TRP 5314N 5.05 0.07 -4.28 1.90 2.91 -1.88 -3.46 115.95 116.26 1a5u h TRP 5314Ca -0.50 -0.02 -0.17 0.00 1.13 0.00 0.00 58.89 59.33 1a5u h TRP 5314Cb 1.21 -0.02 -0.14 0.00 -0.51 0.00 0.00 29.16 29.71 1a5u h TRP 5314CO 0.69 0.52 -0.51 1.03 -1.03 0.00 0.00 178.44 179.14 1a5u s ARG 5315N -3.98 1.13 0.01 2.65 0.52 -1.26 -5.06 118.95 112.95 1a5u s ARG 5315Ca -0.03 -1.42 -0.32 0.00 -0.52 0.00 0.00 55.73 53.44 1a5u s ARG 5315Cb 0.14 0.30 -0.10 0.00 0.52 0.00 0.00 34.95 35.81 1a5u s ARG 5315CO 0.75 -0.38 1.91 -2.30 0.02 0.00 0.00 175.30 175.31 1a5u n PRO 5316N -0.20 2.59 -2.82 3.54 -0.02 -1.26 -2.64 135.00 134.18 1a5u n PRO 5316Ca -0.03 0.95 -0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1a5u n PRO 5316Cb 0.64 -2.85 0.01 0.00 -0.02 0.00 0.00 33.50 31.28 1a5u n PRO 5316CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a5u n GLY 5317N 4.43 -2.08 0.02 -1.23 0.00 -1.26 -4.90 105.19 100.16 1a5u n GLY 5317Ca 0.21 1.07 0.07 0.00 0.00 0.00 0.00 46.02 47.36 1a5u n GLY 5317CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a5u n SER 5318N -0.04 0.74 0.00 1.61 2.88 -1.08 -4.95 113.62 112.77 1a5u n SER 5318Ca 0.09 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1a5u n SER 5318Cb 0.34 0.98 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 1a5u n SER 5318CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a5u n GLY 5319N 1.34 3.13 3.53 0.46 0.00 -1.26 -4.95 105.19 107.44 1a5u n GLY 5319Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1a5u n GLY 5319CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a5u s PHE 5320N -2.29 -0.34 -1.18 1.61 -0.71 -1.26 -5.00 117.98 108.81 1a5u s PHE 5320Ca 0.00 0.17 -0.23 0.00 -1.04 0.00 0.00 56.93 55.83 1a5u s PHE 5320Cb 0.00 0.56 -0.09 0.00 -1.21 0.00 0.00 43.02 42.28 1a5u s PHE 5320CO 0.00 -0.63 1.93 0.99 -1.34 0.00 0.00 175.22 176.17 1a5u s THR 5321N -3.23 3.54 -1.51 -4.49 2.01 -1.26 -4.46 115.64 106.24 1a5u s THR 5321Ca 0.06 -0.92 0.11 0.00 0.31 0.00 0.00 61.69 61.25 1a5u s THR 5321Cb -0.01 -4.56 0.39 0.00 0.01 0.00 0.00 72.50 68.33 1a5u s THR 5321CO -0.08 -0.99 1.26 -0.46 -0.69 0.00 0.00 174.62 173.66 1a5u n ASN 5322N 14.37 2.67 -3.85 3.53 6.94 -0.89 -4.63 115.26 133.40 1a5u n ASN 5322Ca 0.45 -2.18 -0.25 0.00 -0.02 0.00 0.00 54.58 52.58 1a5u n ASN 5322Cb 0.47 -0.39 -0.17 0.00 -2.36 0.00 0.00 39.78 37.33 1a5u n ASN 5322CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1a5u s THR 5323N -1.63 0.79 0.04 5.53 2.01 0.59 -4.83 115.64 118.14 1a5u s THR 5323Ca 0.28 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.20 1a5u s THR 5323Cb 0.17 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1a5u s THR 5323CO 0.15 0.32 -0.20 -0.32 -0.69 0.00 0.00 174.62 173.88 1a5u s MET 5324N 1.80 2.02 -0.12 4.92 1.75 -1.26 -0.25 119.30 128.17 1a5u s MET 5324Ca 0.05 -1.00 -0.21 0.00 -1.25 0.00 0.00 55.69 53.27 1a5u s MET 5324Cb -0.13 -2.14 0.05 0.00 2.84 0.00 0.00 34.83 35.45 1a5u s MET 5324CO -0.07 0.54 0.53 1.03 -0.65 0.00 0.00 175.02 176.39 1a5u s ARG 5325N -1.35 0.76 -0.23 4.11 0.52 -0.18 -4.96 118.95 117.62 1a5u s ARG 5325Ca 0.14 0.39 -0.13 0.00 -0.52 0.00 0.00 55.73 55.61 1a5u s ARG 5325Cb -0.10 0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 1a5u s ARG 5325CO 0.04 -0.17 0.28 0.54 0.02 0.00 0.00 175.30 176.01 1a5u s VAL 5326N -0.51 5.27 0.01 3.52 0.11 -1.26 0.08 120.40 127.62 1a5u s VAL 5326Ca -0.06 0.43 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 1a5u s VAL 5326Cb -0.03 -3.61 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1a5u s VAL 5326CO 0.04 0.28 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.35 1a5u s VAL 5327N 1.31 0.42 0.06 2.04 1.01 0.25 -4.95 120.40 120.53 1a5u s VAL 5327Ca 0.13 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 1a5u s VAL 5327Cb -0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1a5u s VAL 5327CO 0.07 -0.06 0.81 -2.16 0.00 0.00 0.00 175.10 173.76 1a5u s PRO 5328N -0.60 4.54 0.10 2.72 0.04 -1.26 0.11 135.00 140.64 1a5u s PRO 5328Ca -0.02 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 1a5u s PRO 5328Cb -0.05 -3.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.04 1a5u s PRO 5328CO -0.00 0.26 1.51 0.08 0.04 0.00 0.00 177.00 178.89 1a5u s VAL 5329N -0.00 3.12 -2.00 -0.36 1.01 -0.44 -4.86 120.40 116.86 1a5u s VAL 5329Ca 0.41 0.71 0.30 0.00 0.00 0.00 0.00 61.98 63.39 1a5u s VAL 5329Cb -0.21 -3.45 0.84 0.00 0.00 0.00 0.00 36.38 33.56 1a5u s VAL 5329CO 0.24 0.03 2.10 -0.81 0.00 0.00 0.00 175.10 176.67