#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hj4 h ALA 4 N 0.00 0.08 -0.44 1.55 0.00 -1.86 -1.63 119.26 116.96 3hj4 h ALA 4 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hj4 h ALA 4 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hj4 h ALA 4 CO 0.00 -0.38 0.29 -0.22 0.00 0.00 0.00 179.25 178.94 3hj4 h LYS 5 N 0.02 0.58 -0.76 0.00 3.64 -1.85 0.28 116.57 118.49 3hj4 h LYS 5 Ca 0.02 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3hj4 h LYS 5 Cb 0.08 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3hj4 h LYS 5 CO -0.00 0.39 0.24 -0.09 -2.27 0.00 0.00 179.45 177.72 3hj4 h ARG 6 N 0.59 1.17 -0.00 1.90 1.12 -1.91 -0.62 114.38 116.63 3hj4 h ARG 6 Ca 0.16 -0.25 -0.19 0.00 -1.11 0.00 0.00 59.98 58.60 3hj4 h ARG 6 Cb -0.06 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 29.72 3hj4 h ARG 6 CO -0.03 0.98 -0.84 0.93 -3.11 0.00 0.00 179.97 177.90 3hj4 h GLU 7 N 1.12 0.16 -0.58 0.20 4.39 -1.08 -1.90 114.58 116.89 3hj4 h GLU 7 Ca 0.24 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3hj4 h GLU 7 Cb 0.30 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 3hj4 h GLU 7 CO -0.01 0.91 0.33 0.35 -1.16 0.00 0.00 179.01 179.43 3hj4 h PHE 8 N 0.09 0.78 -0.56 4.33 3.57 -0.58 -1.10 116.94 123.47 3hj4 h PHE 8 Ca -0.03 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 3hj4 h PHE 8 Cb 1.45 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 3hj4 h PHE 8 CO 0.02 0.55 -0.02 0.82 -2.23 0.00 0.00 178.31 177.45 3hj4 h ILE 9 N 0.78 1.27 -0.53 1.41 2.04 -1.04 -2.89 117.51 118.55 3hj4 h ILE 9 Ca 0.20 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3hj4 h ILE 9 Cb 0.02 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3hj4 h ILE 9 CO -0.04 0.41 0.29 -0.09 0.00 0.00 0.00 178.15 178.73 3hj4 h ARG 10 N 0.88 0.74 -4.94 2.37 2.43 -1.21 -3.42 114.38 111.23 3hj4 h ARG 10 Ca 0.15 -0.09 -0.51 0.00 -0.81 0.00 0.00 59.98 58.73 3hj4 h ARG 10 Cb 0.57 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3hj4 h ARG 10 CO 0.03 0.57 1.71 0.41 -1.51 0.00 0.00 179.97 181.18 3hj4 n GLY 11 N -1.03 1.78 4.10 2.80 0.00 -0.43 -4.66 105.19 107.75 3hj4 n GLY 11 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3hj4 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hj4 n ALA 14 N 10.66 0.00 -0.13 4.61 0.00 -1.26 -4.67 120.51 129.72 3hj4 n ALA 14 Ca 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 3hj4 n ALA 14 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 3hj4 n ALA 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hj4 h HIS 15 N 0.00 0.71 -0.16 0.00 2.76 -1.96 -0.16 115.15 116.33 3hj4 h HIS 15 Ca 0.00 -0.11 0.02 0.00 -2.20 0.00 0.00 60.37 58.08 3hj4 h HIS 15 Cb 0.00 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 3hj4 h HIS 15 CO 0.00 0.72 0.04 -0.92 -1.30 0.00 0.00 177.93 176.47 3hj4 h TYR 16 N 0.49 0.07 -0.49 5.26 3.20 -1.95 -2.29 116.97 121.26 3hj4 h TYR 16 Ca 0.11 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3hj4 h TYR 16 Cb 0.41 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3hj4 h TYR 16 CO 0.03 0.03 0.14 0.00 -1.64 0.00 0.00 178.16 176.72 3hj4 h ARG 17 N 0.11 0.72 0.00 1.82 2.47 -1.91 -1.89 114.38 115.70 3hj4 h ARG 17 Ca 0.07 -0.13 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 3hj4 h ARG 17 Cb 0.06 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3hj4 h ARG 17 CO -0.09 0.64 -0.12 0.00 0.56 0.00 0.00 179.97 180.96 3hj4 h ALA 18 N 1.45 1.04 0.00 0.04 0.00 -0.84 -2.99 119.26 117.96 3hj4 h ALA 18 Ca 0.16 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hj4 h ALA 18 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hj4 h ALA 18 CO -0.01 0.16 -0.45 0.66 0.00 0.00 0.00 179.25 179.60 3hj4 h SER 19 N 0.00 0.00 -3.57 0.00 4.64 -0.76 -3.47 113.55 110.38 3hj4 h SER 19 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3hj4 h SER 19 Cb 0.60 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3hj4 h SER 19 CO 0.02 0.39 0.48 -0.76 -0.87 0.00 0.00 176.83 176.09 3hj4 s LEU 20 N -6.35 4.49 0.66 5.97 1.43 -1.10 -4.18 118.68 119.60 3hj4 s LEU 20 Ca 0.04 2.11 -0.17 0.00 -1.03 0.00 0.00 54.13 55.08 3hj4 s LEU 20 Cb 0.07 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.68 3hj4 s LEU 20 CO 0.73 -0.23 1.27 -2.84 0.23 0.00 0.00 176.35 175.51 3hj4 s PRO 21 N -0.43 2.49 1.04 1.29 0.02 -1.26 -4.86 135.00 133.30 3hj4 s PRO 21 Ca 0.49 1.98 -0.12 0.00 0.02 0.00 0.00 61.00 63.36 3hj4 s PRO 21 Cb -0.30 -1.85 0.21 0.00 0.02 0.00 0.00 34.50 32.59 3hj4 s PRO 21 CO 0.35 -1.62 1.07 -1.25 -0.33 0.00 0.00 177.00 175.23 3hj4 s PRO 22 N -3.49 0.05 0.19 5.54 0.04 -1.26 -4.87 135.00 131.21 3hj4 s PRO 22 Ca 0.80 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.27 3hj4 s PRO 22 Cb -0.35 -1.68 0.12 0.00 0.04 0.00 0.00 34.50 32.62 3hj4 s PRO 22 CO 0.40 -3.02 1.56 -1.35 0.04 0.00 0.00 177.00 174.63 3hj4 h PRO 23 N -2.11 -0.10 -0.11 0.56 0.11 -2.06 -1.29 132.00 127.00 3hj4 h PRO 23 Ca -0.56 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3hj4 h PRO 23 Cb 1.33 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3hj4 h PRO 23 CO 0.55 -0.07 0.00 0.39 -0.21 0.00 0.00 178.00 178.66 3hj4 n GLU 24 N -5.42 0.92 -0.03 1.05 1.02 -1.26 -4.08 120.64 112.84 3hj4 n GLU 24 Ca 0.05 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 3hj4 n GLU 24 Cb 0.36 -1.05 0.41 0.00 -0.02 0.00 0.00 31.44 31.13 3hj4 n GLU 24 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hj4 h HIS 25 N 0.01 0.57 -0.19 -0.32 2.76 -1.56 -0.26 115.15 116.15 3hj4 h HIS 25 Ca 0.00 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3hj4 h HIS 25 Cb 0.05 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 3hj4 h HIS 25 CO 0.00 0.35 -0.01 0.66 -1.30 0.00 0.00 177.93 177.64 3hj4 h SER 26 N 0.61 0.26 -0.25 3.26 4.64 -1.82 -0.96 113.55 119.28 3hj4 h SER 26 Ca 0.17 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.34 3hj4 h SER 26 Cb -0.04 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3hj4 h SER 26 CO -0.04 0.31 -0.32 0.58 -0.87 0.00 0.00 176.83 176.49 3hj4 h VAL 27 N 0.28 1.31 -0.46 0.95 2.07 -1.37 -1.57 116.25 117.46 3hj4 h VAL 27 Ca 0.07 -1.51 0.05 0.00 0.82 0.00 0.00 66.70 66.12 3hj4 h VAL 27 Cb 0.20 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 3hj4 h VAL 27 CO 0.00 0.48 0.19 0.58 0.02 0.00 0.00 177.57 178.84 3hj4 h VAL 28 N 0.38 0.90 -0.31 2.57 2.07 -0.81 -1.21 116.25 119.83 3hj4 h VAL 28 Ca 0.03 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 3hj4 h VAL 28 Cb 0.90 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3hj4 h VAL 28 CO 0.08 0.07 -0.36 0.40 0.02 0.00 0.00 177.57 177.78 3hj4 h ILE 29 N 0.38 1.29 -0.43 4.57 1.08 -1.17 -1.01 117.51 122.21 3hj4 h ILE 29 Ca 0.21 -1.51 0.02 0.00 -0.39 0.00 0.00 64.86 63.18 3hj4 h ILE 29 Cb 0.17 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 3hj4 h ILE 29 CO -0.19 0.49 0.26 -0.74 -0.69 0.00 0.00 178.15 177.28 3hj4 h HIS 30 N 0.58 0.49 -0.03 1.37 2.76 -0.97 -0.98 115.15 118.38 3hj4 h HIS 30 Ca 0.06 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.12 3hj4 h HIS 30 Cb 0.88 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 3hj4 h HIS 30 CO 0.04 0.28 -0.56 0.93 -1.30 0.00 0.00 177.93 177.33 3hj4 h GLU 31 N 0.52 0.08 -0.20 5.26 4.39 -0.95 -1.44 114.58 122.25 3hj4 h GLU 31 Ca 0.17 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 3hj4 h GLU 31 Cb 0.00 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3hj4 h GLU 31 CO -0.08 0.62 0.07 1.25 -1.16 0.00 0.00 179.01 179.71 3hj4 h LEU 32 N 0.06 0.28 -0.46 1.33 5.85 -0.87 -0.44 115.31 121.06 3hj4 h LEU 32 Ca -0.00 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.59 3hj4 h LEU 32 Cb 1.01 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 3hj4 h LEU 32 CO 0.08 0.38 0.19 -0.61 -0.34 0.00 0.00 178.44 178.14 3hj4 h GLN 33 N 0.16 0.37 -0.73 1.25 -0.00 -0.89 -0.62 115.11 114.65 3hj4 h GLN 33 Ca 0.07 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 3hj4 h GLN 33 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.56 3hj4 h GLN 33 CO -0.00 0.25 0.32 0.87 0.00 0.00 0.00 178.83 180.26 3hj4 h LYS 34 N 0.38 1.06 -0.57 1.69 1.57 -1.01 0.31 116.57 120.01 3hj4 h LYS 34 Ca 0.21 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3hj4 h LYS 34 Cb 0.17 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3hj4 h LYS 34 CO -0.19 0.85 0.26 -0.09 -0.57 0.00 0.00 179.45 179.71 3hj4 h ARG 35 N 1.03 0.83 -0.34 3.15 2.43 -0.64 0.01 114.38 120.84 3hj4 h ARG 35 Ca 0.25 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 3hj4 h ARG 35 Cb 0.16 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3hj4 h ARG 35 CO -0.03 0.69 -0.26 0.28 -1.51 0.00 0.00 179.97 179.14 3hj4 h VAL 36 N 0.77 1.27 -0.96 0.20 2.07 -0.91 -2.49 116.25 116.21 3hj4 h VAL 36 Ca 0.19 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3hj4 h VAL 36 Cb 0.15 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3hj4 h VAL 36 CO -0.02 0.45 0.61 0.25 0.02 0.00 0.00 177.57 178.88 3hj4 h LEU 37 N 0.59 1.13 -0.50 2.57 5.85 -0.62 -0.60 115.31 123.72 3hj4 h LEU 37 Ca 0.08 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3hj4 h LEU 37 Cb 0.76 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 3hj4 h LEU 37 CO 0.06 0.84 0.08 0.44 -0.34 0.00 0.00 178.44 179.53 3hj4 h ASP 38 N 1.31 -0.04 0.07 1.25 3.32 -0.57 -2.45 116.42 119.32 3hj4 h ASP 38 Ca 0.35 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3hj4 h ASP 38 Cb -0.11 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3hj4 h ASP 38 CO -0.07 0.01 -0.07 0.40 -1.72 0.00 0.00 179.24 177.79 3hj4 h ILE 39 N 0.21 0.84 0.00 0.35 2.04 -1.09 -3.13 117.51 116.74 3hj4 h ILE 39 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 3hj4 h ILE 39 Cb 0.35 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3hj4 h ILE 39 CO -0.34 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.42 3hj4 n GLY 40 N -1.18 0.11 0.94 5.37 0.00 -0.27 -3.19 105.19 106.98 3hj4 n GLY 40 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3hj4 n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hj4 n LEU 42 N 1.16 0.00 -0.08 0.99 4.77 -1.19 -1.84 117.00 120.81 3hj4 n LEU 42 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3hj4 n LEU 42 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3hj4 n LEU 42 CO 0.00 0.00 -1.07 0.00 -1.33 0.00 0.00 177.39 174.99 3hj4 n ALA 43 N 0.00 1.62 -2.18 -1.18 0.00 -1.19 -5.02 120.51 112.55 3hj4 n ALA 43 Ca 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 53.44 52.21 3hj4 n ALA 43 Cb 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 3hj4 n ALA 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hj4 s VAL 44 N -2.49 0.17 0.21 0.00 -7.23 -0.76 -4.82 120.40 105.48 3hj4 s VAL 44 Ca -0.09 -1.75 -0.20 0.00 -1.81 0.00 0.00 61.98 58.13 3hj4 s VAL 44 Cb 0.06 -1.65 -0.08 0.00 0.56 0.00 0.00 36.38 35.26 3hj4 s VAL 44 CO 0.75 -0.79 0.72 0.20 -0.31 0.00 0.00 175.10 175.67 3hj4 s ASN 45 N -2.95 7.09 -1.45 4.85 -0.87 -1.26 -4.07 114.94 116.27 3hj4 s ASN 45 Ca 0.12 1.43 -0.06 0.00 -1.57 0.00 0.00 52.86 52.78 3hj4 s ASN 45 Cb 0.07 -2.42 0.01 0.00 -0.02 0.00 0.00 41.25 38.89 3hj4 s ASN 45 CO -0.07 0.06 0.22 0.29 -2.57 0.00 0.00 177.10 175.03 3hj4 n LYS 46 N 0.85 -1.33 -1.64 -0.60 5.02 -1.26 -0.42 118.16 118.77 3hj4 n LYS 46 Ca -0.03 0.16 -0.44 0.00 -2.02 0.00 0.00 58.31 55.98 3hj4 n LYS 46 Cb 0.51 -3.63 -0.02 0.00 -0.02 0.00 0.00 35.03 31.87 3hj4 n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hj4 n ALA 47 N -4.61 0.54 -3.37 7.82 0.00 -1.26 -3.72 120.51 115.91 3hj4 n ALA 47 Ca -0.28 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 3hj4 n ALA 47 Cb 0.67 -2.16 -0.15 0.00 0.00 0.00 0.00 19.45 17.81 3hj4 n ALA 47 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hj4 s HIS 48 N -0.75 0.18 -0.09 0.00 5.04 -0.63 -4.95 115.29 114.09 3hj4 s HIS 48 Ca 0.61 0.02 0.01 0.00 -1.54 0.00 0.00 55.06 54.16 3hj4 s HIS 48 Cb -0.66 -0.24 0.02 0.00 0.04 0.00 0.00 32.58 31.74 3hj4 s HIS 48 CO 0.58 -0.07 -0.10 0.08 -2.34 0.00 0.00 174.74 172.88 3hj4 s VAL 49 N 0.60 1.12 -0.11 0.89 1.01 -1.26 -1.05 120.40 121.60 3hj4 s VAL 49 Ca -0.06 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3hj4 s VAL 49 Cb -0.08 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.24 3hj4 s VAL 49 CO -0.01 0.37 -0.15 -1.61 0.00 0.00 0.00 175.10 173.69 3hj4 s GLU 50 N 1.17 2.24 0.57 2.72 2.02 -0.56 -4.99 118.70 121.87 3hj4 s GLU 50 Ca -0.05 -0.57 -0.17 0.00 0.02 0.00 0.00 54.97 54.20 3hj4 s GLU 50 Cb -0.14 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 3hj4 s GLU 50 CO -0.02 -0.06 1.06 -0.51 0.02 0.00 0.00 175.26 175.75 3hj4 s LEU 51 N 0.97 3.59 0.00 1.80 1.02 -1.26 -0.44 118.68 124.35 3hj4 s LEU 51 Ca -0.07 1.88 -0.01 0.00 0.02 0.00 0.00 54.13 55.96 3hj4 s LEU 51 Cb -0.15 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.52 3hj4 s LEU 51 CO -0.01 -1.12 0.32 2.22 0.02 0.00 0.00 176.35 177.78 3hj4 n PHE 52 N -1.76 -1.09 -2.25 0.29 -1.74 0.77 -4.83 117.46 106.85 3hj4 n PHE 52 Ca 0.09 -1.64 0.00 0.00 -0.56 0.00 0.00 57.45 55.35 3hj4 n PHE 52 Cb 0.53 0.36 0.00 0.00 1.52 0.00 0.00 39.48 41.89 3hj4 n PHE 52 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3hj4 n GLY 53 N -0.40 -1.20 0.33 4.97 0.00 -1.26 -2.82 105.19 104.81 3hj4 n GLY 53 Ca 0.01 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.54 3hj4 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hj4 h SER 54 N 1.51 0.71 0.92 1.61 0.02 -1.84 -0.49 113.55 115.98 3hj4 h SER 54 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3hj4 h SER 54 Cb 0.00 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3hj4 h SER 54 CO 0.00 0.36 0.00 0.45 -1.14 0.00 0.00 176.83 176.50 3hj4 h HIS 55 N 0.80 0.00 0.06 3.45 3.86 -1.81 -0.25 115.15 121.26 3hj4 h HIS 55 Ca 0.46 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.32 3hj4 h HIS 55 Cb 0.53 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 3hj4 h HIS 55 CO -0.05 0.00 -2.03 0.28 0.86 0.00 0.00 177.93 176.99 3hj4 n VAL 56 N -2.87 1.64 0.04 2.45 0.31 -0.28 -4.29 118.33 115.33 3hj4 n VAL 56 Ca 0.01 -0.48 0.01 0.00 -0.01 0.00 0.00 64.34 63.86 3hj4 n VAL 56 Cb 0.28 -1.74 0.33 0.00 -0.91 0.00 0.00 33.84 31.79 3hj4 n VAL 56 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3hj4 h SER 57 N -0.28 0.40 0.00 4.52 4.64 -1.30 -3.42 113.55 118.10 3hj4 h SER 57 Ca -0.48 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3hj4 h SER 57 Cb 1.81 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 3hj4 h SER 57 CO -0.07 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 3hj4 n GLY 58 N -0.85 0.95 2.87 -0.77 0.00 -0.11 -3.86 105.19 103.42 3hj4 n GLY 58 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hj4 n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hj4 n PHE 59 N -2.00 3.61 -3.98 1.61 3.72 -1.21 -4.90 117.46 114.31 3hj4 n PHE 59 Ca 0.00 -2.94 -0.08 0.00 -0.05 0.00 0.00 57.45 54.38 3hj4 n PHE 59 Cb 0.00 -2.46 -0.09 0.00 -0.94 0.00 0.00 39.48 36.00 3hj4 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hj4 s THR 61 N -3.82 2.35 0.64 0.00 -4.23 -1.26 -4.51 115.64 104.80 3hj4 s THR 61 Ca 0.05 -1.44 0.37 0.00 -1.18 0.00 0.00 61.69 59.49 3hj4 s THR 61 Cb 0.06 -2.79 0.40 0.00 1.34 0.00 0.00 72.50 71.51 3hj4 s THR 61 CO -0.10 0.00 2.27 -0.65 -0.54 0.00 0.00 174.62 175.60 3hj4 h PRO 62 N 1.03 0.00 -0.49 3.99 0.11 -1.89 -2.65 132.00 132.11 3hj4 h PRO 62 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hj4 h PRO 62 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hj4 h PRO 62 CO 0.60 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.11 3hj4 n HIS 63 N -3.38 0.84 -1.57 0.65 8.25 -1.26 -4.95 115.22 113.79 3hj4 n HIS 63 Ca -0.02 -0.57 -0.35 0.00 -0.26 0.00 0.00 57.72 56.52 3hj4 n HIS 63 Cb 0.13 -0.10 0.08 0.00 1.12 0.00 0.00 29.99 31.22 3hj4 n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hj4 s SER 64 N -1.09 4.39 0.47 0.41 0.01 -1.00 -4.72 113.70 112.17 3hj4 s SER 64 Ca 0.37 2.43 -0.25 0.00 1.31 0.00 0.00 55.95 59.81 3hj4 s SER 64 Cb 0.22 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.77 3hj4 s SER 64 CO 0.21 -2.14 1.43 -1.81 0.41 0.00 0.00 173.24 171.34 3hj4 s ASP 65 N -1.82 5.75 -0.23 2.44 1.01 -1.26 -4.64 116.67 117.92 3hj4 s ASP 65 Ca 0.77 2.93 -0.07 0.00 0.71 0.00 0.00 52.55 56.89 3hj4 s ASP 65 Cb -0.31 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 40.93 3hj4 s ASP 65 CO 0.43 -1.26 0.06 0.00 0.21 0.00 0.00 175.17 174.61 3hj4 s ALA 66 N -1.21 3.21 -0.01 5.23 0.00 0.45 -4.42 121.76 125.02 3hj4 s ALA 66 Ca 0.63 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 3hj4 s ALA 66 Cb -0.44 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 3hj4 s ALA 66 CO 0.56 -0.29 0.34 -0.51 0.00 0.00 0.00 175.76 175.86 3hj4 s ASP 67 N 1.26 6.68 -0.03 0.00 1.01 -1.13 -1.46 116.67 122.99 3hj4 s ASP 67 Ca 0.05 0.81 0.01 0.00 0.71 0.00 0.00 52.55 54.13 3hj4 s ASP 67 Cb -0.15 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.61 3hj4 s ASP 67 CO 0.03 0.31 -0.04 -0.63 0.21 0.00 0.00 175.17 175.05 3hj4 s ILE 68 N -1.14 0.48 -0.25 0.77 1.01 0.42 -0.16 121.20 122.33 3hj4 s ILE 68 Ca 0.24 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 3hj4 s ILE 68 Cb -0.15 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 3hj4 s ILE 68 CO 0.13 0.20 0.07 -0.55 0.00 0.00 0.00 174.94 174.78 3hj4 s SER 69 N 0.73 5.12 -0.25 3.58 0.15 0.42 -1.93 113.70 121.52 3hj4 s SER 69 Ca -0.09 -0.21 -0.10 0.00 0.70 0.00 0.00 55.95 56.25 3hj4 s SER 69 Cb -0.12 -1.92 -0.05 0.00 -1.71 0.00 0.00 66.02 62.22 3hj4 s SER 69 CO -0.00 -0.03 0.15 -0.22 1.20 0.00 0.00 173.24 174.34 3hj4 s LEU 70 N 1.60 3.99 0.46 3.45 2.96 -0.27 -1.50 118.68 129.36 3hj4 s LEU 70 Ca 0.06 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 3hj4 s LEU 70 Cb -0.15 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 3hj4 s LEU 70 CO 0.04 0.02 0.06 0.42 -1.32 0.00 0.00 176.35 175.57 3hj4 s THR 71 N 1.30 0.96 0.18 3.68 -4.23 -0.21 -1.26 115.64 116.06 3hj4 s THR 71 Ca 0.07 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.34 3hj4 s THR 71 Cb -0.14 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.45 3hj4 s THR 71 CO 0.06 0.00 0.92 -0.72 -0.54 0.00 0.00 174.62 174.34 3hj4 s TYR 72 N -3.03 -0.11 -0.10 3.99 1.13 -1.26 -1.60 117.35 116.36 3hj4 s TYR 72 Ca 0.16 -0.24 -0.37 0.00 -1.41 0.00 0.00 57.07 55.22 3hj4 s TYR 72 Cb 0.03 0.66 -0.14 0.00 -1.10 0.00 0.00 41.96 41.41 3hj4 s TYR 72 CO 0.09 -0.93 1.72 -2.13 -2.51 0.00 0.00 175.55 171.80 3hj4 n ARG 73 N -0.49 1.67 -1.47 -3.49 0.63 0.44 -1.02 116.66 112.94 3hj4 n ARG 73 Ca -0.06 0.61 -0.15 0.00 -0.92 0.00 0.00 57.85 57.34 3hj4 n ARG 73 Cb 0.60 -2.36 -0.06 0.00 0.45 0.00 0.00 32.46 31.09 3hj4 n ARG 73 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3hj4 n ASN 74 N 5.24 -4.76 -4.74 6.15 3.02 -1.26 -4.98 115.26 113.92 3hj4 n ASN 74 Ca 0.23 0.35 -0.41 0.00 -0.03 0.00 0.00 54.58 54.71 3hj4 n ASN 74 Cb 0.22 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 3hj4 n ASN 74 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3hj4 n PHE 75 N -2.63 2.68 -4.07 3.10 7.35 -0.19 -5.03 117.46 118.67 3hj4 n PHE 75 Ca -0.15 0.48 -0.18 0.00 -0.76 0.00 0.00 57.45 56.84 3hj4 n PHE 75 Cb 0.49 -2.48 -0.16 0.00 0.35 0.00 0.00 39.48 37.68 3hj4 n PHE 75 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hj4 s SER 76 N -0.25 0.67 0.34 -2.13 0.15 -1.26 -4.99 113.70 106.23 3hj4 s SER 76 Ca 0.55 -0.08 0.25 0.00 0.70 0.00 0.00 55.95 57.37 3hj4 s SER 76 Cb -0.50 -0.31 1.17 0.00 -1.71 0.00 0.00 66.02 64.67 3hj4 s SER 76 CO 0.62 -0.06 1.77 1.55 1.20 0.00 0.00 173.24 178.32 3hj4 h PRO 77 N 7.07 0.00 0.00 5.44 0.13 -1.95 -3.06 132.00 139.62 3hj4 h PRO 77 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3hj4 h PRO 77 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3hj4 h PRO 77 CO 0.48 0.00 -0.32 -1.49 -0.23 0.00 0.00 178.00 176.44 3hj4 h TRP 78 N 0.00 0.00 0.00 1.56 4.06 -1.97 -3.34 115.95 116.27 3hj4 h TRP 78 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3hj4 h TRP 78 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 3hj4 h TRP 78 CO 0.00 0.00 -0.73 1.28 -3.56 0.00 0.00 178.44 175.43 3hj4 n LEU 79 N -2.47 0.66 -4.77 -4.49 4.77 -1.16 -4.80 117.00 104.75 3hj4 n LEU 79 Ca 0.04 -0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.49 3hj4 n LEU 79 Cb 0.47 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3hj4 n LEU 79 CO 0.34 0.14 0.92 -1.10 -1.33 0.00 0.00 177.39 176.36 3hj4 s GLN 80 N -3.04 3.97 0.00 3.23 1.11 -1.25 -4.68 119.66 119.00 3hj4 s GLN 80 Ca 0.09 2.05 0.00 0.00 0.01 0.00 0.00 55.36 57.51 3hj4 s GLN 80 Cb 0.16 -2.72 0.00 0.00 -1.01 0.00 0.00 33.01 29.45 3hj4 s GLN 80 CO 0.76 -0.45 0.00 0.41 0.01 0.00 0.00 175.29 176.02 3hj4 n GLY 81 N 0.67 0.69 0.69 3.09 0.00 -1.26 -5.05 105.19 104.02 3hj4 n GLY 81 Ca 0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 3hj4 n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hj4 n GLU 83 N -0.20 0.09 -0.02 1.61 2.13 -1.26 -4.82 120.64 118.17 3hj4 n GLU 83 Ca 0.00 0.04 -0.00 0.00 0.66 0.00 0.00 57.16 57.85 3hj4 n GLU 83 Cb 0.09 -0.74 0.28 0.00 0.27 0.00 0.00 31.44 31.34 3hj4 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hj4 h ARG 84 N -0.12 0.58 0.16 5.31 2.47 -1.95 -1.27 114.38 119.55 3hj4 h ARG 84 Ca -0.10 -0.12 -0.29 0.00 -1.26 0.00 0.00 59.98 58.21 3hj4 h ARG 84 Cb 1.10 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 29.35 3hj4 h ARG 84 CO -0.05 0.58 -1.33 0.28 0.56 0.00 0.00 179.97 180.00 3hj4 h VAL 85 N 0.56 1.41 -0.93 2.04 2.07 -1.96 -2.75 116.25 116.69 3hj4 h VAL 85 Ca 0.12 -2.95 0.04 0.00 0.82 0.00 0.00 66.70 64.73 3hj4 h VAL 85 Cb 0.30 2.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.97 3hj4 h VAL 85 CO 0.01 0.87 0.60 0.44 0.02 0.00 0.00 177.57 179.50 3hj4 h ASP 86 N 0.09 1.00 -0.47 0.57 3.32 -1.79 0.16 116.42 119.30 3hj4 h ASP 86 Ca -0.18 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.88 3hj4 h ASP 86 Cb 2.03 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 41.33 3hj4 h ASP 86 CO 0.22 0.68 0.30 -0.33 -1.72 0.00 0.00 179.24 178.39 3hj4 h GLU 87 N 1.16 0.60 -0.54 3.56 5.08 -1.21 -0.54 114.58 122.68 3hj4 h GLU 87 Ca 0.37 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.58 3hj4 h GLU 87 Cb 0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3hj4 h GLU 87 CO -0.12 0.40 -0.11 0.37 -1.00 0.00 0.00 179.01 178.54 3hj4 h GLN 88 N 0.62 1.03 -0.38 2.33 5.75 -0.99 -1.58 115.11 121.88 3hj4 h GLN 88 Ca 0.18 -0.39 -0.03 0.00 -0.15 0.00 0.00 58.65 58.27 3hj4 h GLN 88 Cb -0.05 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 3hj4 h GLN 88 CO -0.05 1.08 0.13 -0.91 -2.65 0.00 0.00 178.83 176.42 3hj4 h ASN 89 N 0.91 0.49 -0.39 -0.69 2.35 -0.45 -1.37 115.58 116.43 3hj4 h ASN 89 Ca 0.14 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 3hj4 h ASN 89 Cb 0.69 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3hj4 h ASN 89 CO 0.05 0.47 -0.07 0.78 -1.65 0.00 0.00 177.43 177.02 3hj4 h ASN 90 N 0.54 0.80 -0.88 5.81 2.35 -0.59 -2.77 115.58 120.85 3hj4 h ASN 90 Ca 0.13 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3hj4 h ASN 90 Cb 0.15 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 3hj4 h ASN 90 CO -0.01 0.91 0.45 0.11 -1.65 0.00 0.00 177.43 177.24 3hj4 h LYS 91 N 0.75 1.24 -0.17 0.81 1.57 -0.72 -0.20 116.57 119.85 3hj4 h LYS 91 Ca 0.13 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3hj4 h LYS 91 Cb 0.55 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3hj4 h LYS 91 CO 0.03 0.93 0.00 0.54 -0.57 0.00 0.00 179.45 180.38 3hj4 n ARG 92 N -4.32 0.20 0.00 3.15 1.74 -0.57 -2.23 116.66 114.63 3hj4 n ARG 92 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3hj4 n ARG 92 Cb 0.12 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 3hj4 n ARG 92 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hj4 n THR 94 N 0.24 0.00 -0.20 0.55 -1.04 -0.09 -0.95 114.28 112.80 3hj4 n THR 94 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3hj4 n THR 94 Cb 0.04 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.57 3hj4 n THR 94 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3hj4 h ARG 95 N 0.00 1.03 -0.62 -2.82 2.43 -1.70 -2.78 114.38 109.91 3hj4 h ARG 95 Ca 0.00 -0.34 0.07 0.00 -0.81 0.00 0.00 59.98 58.90 3hj4 h ARG 95 Cb 0.00 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 3hj4 h ARG 95 CO 0.00 1.03 0.30 0.35 -1.51 0.00 0.00 179.97 180.14 3hj4 h PHE 96 N 0.92 0.55 -0.60 2.20 3.57 -1.31 -1.18 116.94 121.09 3hj4 h PHE 96 Ca 0.16 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3hj4 h PHE 96 Cb 0.59 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3hj4 h PHE 96 CO 0.04 0.22 0.27 0.78 -2.23 0.00 0.00 178.31 177.39 3hj4 h GLY 97 N 0.55 0.94 1.01 2.40 0.00 -1.80 -0.31 103.07 105.86 3hj4 h GLY 97 Ca 0.29 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hj4 h GLY 97 CO -0.23 0.46 0.48 0.50 0.00 0.00 0.00 176.54 177.75 3hj4 h LYS 98 N 0.82 1.07 -0.18 4.80 1.57 -1.15 -1.97 116.57 121.52 3hj4 h LYS 98 Ca 0.20 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 3hj4 h LYS 98 Cb 0.15 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3hj4 h LYS 98 CO -0.02 0.75 -0.59 0.93 -0.57 0.00 0.00 179.45 179.95 3hj4 h GLU 99 N 1.08 0.60 -0.28 3.15 4.39 -1.03 -1.59 114.58 120.90 3hj4 h GLU 99 Ca 0.28 -0.40 0.04 0.00 0.34 0.00 0.00 59.36 59.62 3hj4 h GLU 99 Cb -0.04 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 3hj4 h GLU 99 CO -0.05 1.01 0.06 0.00 -1.16 0.00 0.00 179.01 178.87 3hj4 h ALA 100 N 0.90 0.30 -0.23 3.43 0.00 -0.82 -2.81 119.26 120.03 3hj4 h ALA 100 Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hj4 h ALA 100 Cb 1.15 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3hj4 h ALA 100 CO 0.11 -0.35 0.05 0.77 0.00 0.00 0.00 179.25 179.84 3hj4 h SER 101 N 0.17 0.03 0.00 0.00 0.02 -1.27 -2.68 113.55 109.82 3hj4 h SER 101 Ca 0.13 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3hj4 h SER 101 Cb 0.13 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3hj4 h SER 101 CO -0.16 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 3hj4 n ALA 102 N -2.29 1.16 -3.57 3.77 0.00 -0.61 -4.99 120.51 113.98 3hj4 n ALA 102 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 3hj4 n ALA 102 Cb 0.10 -0.83 -0.15 0.00 0.00 0.00 0.00 19.45 18.56 3hj4 n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hj4 s GLY 104 N 0.47 0.55 0.01 0.00 0.00 -1.01 -5.10 107.32 102.24 3hj4 s GLY 104 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.57 3hj4 s GLY 104 CO 0.00 1.98 0.12 -0.54 0.00 0.00 0.00 173.10 174.65 3hj4 s GLU 106 N 2.04 0.50 -1.48 2.90 2.02 -0.21 -4.04 118.70 120.43 3hj4 s GLU 106 Ca 0.08 -0.50 -0.11 0.00 0.02 0.00 0.00 54.97 54.46 3hj4 s GLU 106 Cb -0.16 0.20 0.07 0.00 0.10 0.00 0.00 34.13 34.34 3hj4 s GLU 106 CO -0.33 -0.12 0.93 -0.25 0.02 0.00 0.00 175.26 175.51 3hj4 n ASP 107 N 1.29 -4.05 -4.68 -0.19 8.00 -1.26 -0.97 116.55 114.68 3hj4 n ASP 107 Ca -0.22 -0.78 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 3hj4 n ASP 107 Cb 0.56 -3.94 -0.03 0.00 -0.02 0.00 0.00 41.12 37.69 3hj4 n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hj4 s VAL 108 N -3.39 3.45 -0.13 2.53 1.01 -1.26 -4.39 120.40 118.22 3hj4 s VAL 108 Ca 0.52 0.82 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 3hj4 s VAL 108 Cb -0.26 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.62 3hj4 s VAL 108 CO 0.82 -0.01 -0.07 -0.13 0.00 0.00 0.00 175.10 175.71 3hj4 s ARG 109 N 2.74 1.51 -0.26 2.72 1.81 -0.22 -5.00 118.95 122.25 3hj4 s ARG 109 Ca 0.69 -0.34 -0.10 0.00 -1.72 0.00 0.00 55.73 54.25 3hj4 s ARG 109 Cb -0.35 -1.73 -0.05 0.00 -0.45 0.00 0.00 34.95 32.37 3hj4 s ARG 109 CO 0.29 -0.32 0.15 -0.47 -0.68 0.00 0.00 175.30 174.27 3hj4 s TYR 110 N 1.68 3.22 -0.58 -0.53 5.04 -1.26 -0.99 117.35 123.92 3hj4 s TYR 110 Ca 0.04 0.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.60 3hj4 s TYR 110 Cb -0.13 -2.31 0.15 0.00 0.35 0.00 0.00 41.96 40.01 3hj4 s TYR 110 CO -0.08 -0.13 0.48 0.42 -1.34 0.00 0.00 175.55 174.90 3hj4 s ILE 111 N 1.50 4.62 -0.08 3.14 1.01 -0.50 -5.03 121.20 125.85 3hj4 s ILE 111 Ca 0.07 -2.06 -0.29 0.00 0.00 0.00 0.00 60.65 58.36 3hj4 s ILE 111 Cb -0.15 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 3hj4 s ILE 111 CO 0.08 -0.86 1.86 -0.60 0.00 0.00 0.00 174.94 175.41 3hj4 s ARG 112 N 0.93 3.90 0.26 2.79 3.52 -1.26 -3.34 118.95 125.76 3hj4 s ARG 112 Ca 0.10 2.20 -0.12 0.00 -0.13 0.00 0.00 55.73 57.78 3hj4 s ARG 112 Cb -0.23 -4.13 -0.00 0.00 -1.56 0.00 0.00 34.95 29.04 3hj4 s ARG 112 CO -0.02 -1.20 0.48 0.00 -0.81 0.00 0.00 175.30 173.76 3hj4 s ALA 113 N 5.17 -0.12 0.42 6.12 0.00 -1.26 -5.00 121.76 127.09 3hj4 s ALA 113 Ca 0.83 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.92 3hj4 s ALA 113 Cb -0.35 1.07 0.91 0.00 0.00 0.00 0.00 23.12 24.76 3hj4 s ALA 113 CO 0.35 -0.85 2.03 0.00 0.00 0.00 0.00 175.76 177.28 3hj4 h ARG 114 N 2.23 0.50 -4.06 0.00 2.47 -1.93 -3.12 114.38 110.47 3hj4 h ARG 114 Ca -0.27 -0.03 -0.71 0.00 -1.26 0.00 0.00 59.98 57.72 3hj4 h ARG 114 Cb 1.25 -0.11 -0.33 0.00 -1.65 0.00 0.00 29.97 29.12 3hj4 h ARG 114 CO 0.36 0.33 -0.41 -1.50 0.56 0.00 0.00 179.97 179.31 3hj4 s ILE 115 N -5.47 3.75 0.38 2.04 2.07 -1.26 -4.75 121.20 117.96 3hj4 s ILE 115 Ca -0.08 -2.39 -0.25 0.00 -1.41 0.00 0.00 60.65 56.52 3hj4 s ILE 115 Cb 0.18 -3.48 -0.09 0.00 0.13 0.00 0.00 42.46 39.20 3hj4 s ILE 115 CO 0.74 -0.80 1.06 -2.16 -1.91 0.00 0.00 174.94 171.87 3hj4 s PRO 116 N 0.65 4.23 0.11 3.50 0.04 -1.18 -5.02 135.00 137.33 3hj4 s PRO 116 Ca 0.12 1.57 0.05 0.00 0.04 0.00 0.00 61.00 62.78 3hj4 s PRO 116 Cb -0.22 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 3hj4 s PRO 116 CO -0.03 -0.10 -0.14 0.14 0.04 0.00 0.00 177.00 176.91 3hj4 s VAL 117 N -1.57 1.24 -0.12 -0.36 -7.23 -1.21 -4.13 120.40 107.01 3hj4 s VAL 117 Ca 0.56 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 3hj4 s VAL 117 Cb -0.24 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.31 3hj4 s VAL 117 CO 0.30 -0.37 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.83 3hj4 s VAL 118 N -1.93 1.86 0.07 1.32 1.01 0.19 -1.41 120.40 121.52 3hj4 s VAL 118 Ca 0.06 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3hj4 s VAL 118 Cb -0.06 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3hj4 s VAL 118 CO 0.02 0.51 -0.05 -1.10 0.00 0.00 0.00 175.10 174.49 3hj4 s GLN 119 N 0.79 2.41 0.21 2.72 -0.21 -0.16 -0.58 119.66 124.84 3hj4 s GLN 119 Ca -0.09 -0.86 -0.23 0.00 0.02 0.00 0.00 55.36 54.20 3hj4 s GLN 119 Cb -0.16 -2.46 0.05 0.00 1.00 0.00 0.00 33.01 31.44 3hj4 s GLN 119 CO -0.00 0.55 0.74 -0.59 -2.12 0.00 0.00 175.29 173.86 3hj4 s PHE 120 N -1.19 -0.29 -0.24 0.91 -0.71 -0.42 -1.06 117.98 114.99 3hj4 s PHE 120 Ca 0.22 -0.05 -0.10 0.00 -1.04 0.00 0.00 56.93 55.95 3hj4 s PHE 120 Cb -0.11 0.64 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 3hj4 s PHE 120 CO 0.14 -1.02 0.14 0.99 -1.34 0.00 0.00 175.22 174.13 3hj4 s THR 121 N -3.71 5.21 0.10 -4.49 2.01 -0.15 -0.30 115.64 114.31 3hj4 s THR 121 Ca 0.08 0.13 -0.34 0.00 0.31 0.00 0.00 61.69 61.87 3hj4 s THR 121 Cb -0.04 -3.43 -0.13 0.00 0.01 0.00 0.00 72.50 68.92 3hj4 s THR 121 CO -0.00 0.35 1.65 -0.67 -0.69 0.00 0.00 174.62 175.26 3hj4 n ASP 122 N 4.30 3.15 0.19 3.53 2.03 -0.15 -1.04 116.55 128.57 3hj4 n ASP 122 Ca -0.15 1.06 0.14 0.00 0.52 0.00 0.00 54.79 56.35 3hj4 n ASP 122 Cb 0.52 -1.41 0.67 0.00 -0.72 0.00 0.00 41.12 40.19 3hj4 n ASP 122 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3hj4 h GLY 123 N 6.73 0.00 0.00 0.27 0.00 -1.92 -1.55 103.07 106.60 3hj4 h GLY 123 Ca -0.46 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 3hj4 h GLY 123 CO 0.90 0.00 -1.37 -0.62 0.00 0.00 0.00 176.54 175.45 3hj4 n VAL 124 N -2.44 1.51 0.17 4.60 0.31 -1.26 -4.78 118.33 116.43 3hj4 n VAL 124 Ca -0.01 0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.45 3hj4 n VAL 124 Cb 0.10 -2.23 -0.03 0.00 -0.91 0.00 0.00 33.84 30.77 3hj4 n VAL 124 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3hj4 n THR 125 N -4.41 0.37 -0.87 2.52 -2.24 -1.24 -4.98 114.28 103.44 3hj4 n THR 125 Ca -0.24 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3hj4 n THR 125 Cb 0.61 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3hj4 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hj4 n GLY 126 N 1.24 0.68 3.74 3.38 0.00 -0.58 -4.99 105.19 108.65 3hj4 n GLY 126 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hj4 n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hj4 s ILE 127 N -3.02 2.38 -0.03 -0.61 1.01 -1.26 -4.55 121.20 115.12 3hj4 s ILE 127 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 3hj4 s ILE 127 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 3hj4 s ILE 127 CO 0.00 0.04 1.10 -2.28 0.00 0.00 0.00 174.94 173.80 3hj4 s HIS 128 N 0.47 3.44 -0.08 3.97 5.65 -1.26 -0.97 115.29 126.50 3hj4 s HIS 128 Ca 0.65 1.45 0.03 0.00 0.25 0.00 0.00 55.06 57.45 3hj4 s HIS 128 Cb -0.45 -3.29 -0.01 0.00 -1.18 0.00 0.00 32.58 27.64 3hj4 s HIS 128 CO 0.40 -0.71 -0.19 0.00 -0.65 0.00 0.00 174.74 173.59 3hj4 s ASP 130 N -0.11 3.99 -0.16 0.00 -1.08 -0.54 -1.30 116.67 117.48 3hj4 s ASP 130 Ca -0.03 -1.08 -0.03 0.00 -0.52 0.00 0.00 52.55 50.88 3hj4 s ASP 130 Cb -0.14 -1.54 -0.02 0.00 -1.46 0.00 0.00 42.92 39.75 3hj4 s ASP 130 CO 0.04 -0.12 -0.05 -0.69 0.52 0.00 0.00 175.17 174.87 3hj4 s VAL 131 N 1.19 3.73 0.12 1.11 1.01 0.26 -0.43 120.40 127.39 3hj4 s VAL 131 Ca -0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 3hj4 s VAL 131 Cb -0.17 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3hj4 s VAL 131 CO -0.08 0.49 0.02 -0.94 0.00 0.00 0.00 175.10 174.59 3hj4 s SER 132 N 0.48 0.59 -0.22 3.32 1.04 -0.81 -0.64 113.70 117.46 3hj4 s SER 132 Ca -0.04 -1.15 -0.27 0.00 0.48 0.00 0.00 55.95 54.98 3hj4 s SER 132 Cb -0.14 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 3hj4 s SER 132 CO 0.03 -0.65 0.92 -0.63 0.98 0.00 0.00 173.24 173.89 3hj4 s ILE 133 N -3.91 4.78 -1.02 -1.02 1.01 -1.26 -1.11 121.20 118.66 3hj4 s ILE 133 Ca 0.20 1.79 -0.01 0.00 0.00 0.00 0.00 60.65 62.63 3hj4 s ILE 133 Cb 0.07 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 3hj4 s ILE 133 CO -0.01 -0.09 0.86 0.61 0.00 0.00 0.00 174.94 176.31 3hj4 n GLY 134 N 3.49 -0.36 2.93 6.18 0.00 -0.39 -4.87 105.19 112.18 3hj4 n GLY 134 Ca 0.08 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hj4 n GLY 134 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hj4 n ASN 135 N -2.88 4.57 -0.19 1.61 2.85 -1.26 -4.75 115.26 115.21 3hj4 n ASN 135 Ca -0.22 -2.97 -0.08 0.00 -0.11 0.00 0.00 54.58 51.20 3hj4 n ASN 135 Cb 0.64 -1.59 0.02 0.00 1.24 0.00 0.00 39.78 40.09 3hj4 n ASN 135 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3hj4 h ILE 136 N 4.11 1.24 -0.66 -1.44 1.08 -1.99 -2.55 117.51 117.29 3hj4 h ILE 136 Ca 0.47 -0.80 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 3hj4 h ILE 136 Cb 0.68 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 3hj4 h ILE 136 CO 1.69 0.30 0.33 1.23 -0.69 0.00 0.00 178.15 181.01 3hj4 h GLY 137 N 0.77 0.99 0.96 5.37 0.00 -1.94 -2.40 103.07 106.81 3hj4 h GLY 137 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3hj4 h GLY 137 CO -0.00 0.43 0.20 -1.33 0.00 0.00 0.00 176.54 175.84 3hj4 h GLY 138 N 0.99 0.65 0.94 4.60 0.00 -1.86 0.49 103.07 108.88 3hj4 h GLY 138 Ca 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3hj4 h GLY 138 CO -0.03 0.31 0.13 -2.08 0.00 0.00 0.00 176.54 174.87 3hj4 h VAL 139 N 0.54 1.13 -0.47 4.60 2.07 -1.28 -1.88 116.25 120.96 3hj4 h VAL 139 Ca 0.14 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 3hj4 h VAL 139 Cb 0.13 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3hj4 h VAL 139 CO -0.02 0.13 -0.18 -0.33 0.02 0.00 0.00 177.57 177.19 3hj4 h GLU 140 N 0.28 0.93 -0.49 1.57 4.39 -1.23 -2.58 114.58 117.45 3hj4 h GLU 140 Ca 0.09 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.43 3hj4 h GLU 140 Cb 0.09 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3hj4 h GLU 140 CO -0.01 1.03 0.32 -0.97 -1.16 0.00 0.00 179.01 178.21 3hj4 h ASN 141 N 0.81 0.56 -0.22 1.42 -0.73 -0.79 -1.84 115.58 114.80 3hj4 h ASN 141 Ca 0.12 -0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.20 3hj4 h ASN 141 Cb 0.73 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.16 3hj4 h ASN 141 CO 0.06 0.40 -0.11 0.28 -0.37 0.00 0.00 177.43 177.69 3hj4 h SER 142 N 0.66 0.59 -0.34 1.15 0.02 -1.21 -1.57 113.55 112.84 3hj4 h SER 142 Ca 0.18 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 3hj4 h SER 142 Cb -0.07 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3hj4 h SER 142 CO -0.04 0.73 0.01 0.11 -1.14 0.00 0.00 176.83 176.50 3hj4 h LYS 143 N 0.56 0.70 -0.26 3.45 1.57 -1.11 -0.49 116.57 120.99 3hj4 h LYS 143 Ca 0.10 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3hj4 h LYS 143 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3hj4 h LYS 143 CO 0.03 0.71 -0.05 0.82 -0.57 0.00 0.00 179.45 180.39 3hj4 h ILE 144 N 0.66 1.28 -0.67 1.86 2.04 -0.93 -1.79 117.51 119.96 3hj4 h ILE 144 Ca 0.13 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 3hj4 h ILE 144 Cb 0.40 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3hj4 h ILE 144 CO 0.01 0.33 0.23 -0.07 0.00 0.00 0.00 178.15 178.65 3hj4 h LEU 145 N 0.24 0.94 -0.52 1.44 3.38 -1.11 -1.56 115.31 118.13 3hj4 h LEU 145 Ca 0.07 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3hj4 h LEU 145 Cb 0.51 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3hj4 h LEU 145 CO 0.02 0.87 0.27 0.00 0.09 0.00 0.00 178.44 179.69 3hj4 h ALA 147 N 1.28 1.28 0.34 0.00 0.00 -0.75 -1.05 119.26 120.36 3hj4 h ALA 147 Ca 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hj4 h ALA 147 Cb 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hj4 h ALA 147 CO -0.16 0.59 -0.16 0.82 0.00 0.00 0.00 179.25 180.34 3hj4 h ILE 148 N 1.10 0.68 -0.95 0.00 2.04 -0.94 -2.93 117.51 116.51 3hj4 h ILE 148 Ca 0.28 -0.16 0.14 0.00 1.00 0.00 0.00 64.86 66.12 3hj4 h ILE 148 Cb 0.02 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 3hj4 h ILE 148 CO -0.05 0.03 0.60 -0.09 0.00 0.00 0.00 178.15 178.65 3hj4 h ARG 149 N -0.54 0.81 0.00 2.37 2.43 -0.73 -2.42 114.38 116.29 3hj4 h ARG 149 Ca -0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3hj4 h ARG 149 Cb 0.40 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3hj4 h ARG 149 CO 0.08 0.53 0.00 1.96 -1.51 0.00 0.00 179.97 181.03 3hj4 h GLN 150 N 0.83 0.00 -0.99 0.20 4.20 -1.01 -1.91 115.11 116.44 3hj4 h GLN 150 Ca 0.48 0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.31 3hj4 h GLN 150 Cb 0.63 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.33 3hj4 h GLN 150 CO -0.25 0.00 0.62 0.28 -0.67 0.00 0.00 178.83 178.82 3hj4 h VAL 151 N 0.00 0.91 -0.55 -0.54 2.07 -1.42 -3.40 116.25 113.32 3hj4 h VAL 151 Ca 0.00 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3hj4 h VAL 151 Cb 0.31 -0.13 -0.17 0.00 -1.52 0.00 0.00 31.29 29.78 3hj4 h VAL 151 CO 0.00 0.17 -0.26 0.12 0.02 0.00 0.00 177.57 177.62 3hj4 s PHE 152 N -5.91 -0.94 0.25 1.57 5.99 -0.85 -5.06 117.98 113.02 3hj4 s PHE 152 Ca -0.12 0.01 -0.03 0.00 0.00 0.00 0.00 56.93 56.80 3hj4 s PHE 152 Cb 0.22 0.18 0.44 0.00 0.00 0.00 0.00 43.02 43.86 3hj4 s PHE 152 CO 0.81 -0.66 1.80 -1.35 -0.00 0.00 0.00 175.22 175.81 3hj4 h PRO 153 N 5.66 0.75 0.00 10.12 0.11 -1.60 -1.83 132.00 145.21 3hj4 h PRO 153 Ca 0.01 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 3hj4 h PRO 153 Cb 1.19 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3hj4 h PRO 153 CO -0.02 0.49 -0.52 -0.44 -0.21 0.00 0.00 178.00 177.31 3hj4 h ASP 154 N 0.77 0.00 0.39 -2.05 3.32 -1.97 0.29 116.42 117.17 3hj4 h ASP 154 Ca 0.42 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 3hj4 h ASP 154 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3hj4 h ASP 154 CO -0.27 0.52 -0.19 0.15 -1.72 0.00 0.00 179.24 177.73 3hj4 h PHE 155 N 0.00 -0.49 -0.95 4.55 3.57 -1.72 -1.46 116.94 120.45 3hj4 h PHE 155 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3hj4 h PHE 155 Cb 1.06 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.91 3hj4 h PHE 155 CO 0.00 -0.30 0.57 1.88 -2.23 0.00 0.00 178.31 178.22 3hj4 h TYR 156 N -0.85 1.25 -0.28 0.41 0.05 -1.53 -2.21 116.97 113.82 3hj4 h TYR 156 Ca -0.05 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3hj4 h TYR 156 Cb 0.40 -0.41 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3hj4 h TYR 156 CO 0.04 0.83 0.18 0.78 -1.05 0.00 0.00 178.16 178.94 3hj4 h GLY 157 N 1.31 0.39 0.96 3.88 0.00 -0.51 -0.58 103.07 108.51 3hj4 h GLY 157 Ca 0.34 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 3hj4 h GLY 157 CO -0.06 0.14 -0.02 0.00 0.00 0.00 0.00 176.54 176.60 3hj4 h ALA 158 N 1.10 0.55 0.11 3.60 0.00 -1.14 -0.14 119.26 123.33 3hj4 h ALA 158 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hj4 h ALA 158 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3hj4 h ALA 158 CO -0.02 0.34 -0.05 -0.92 0.00 0.00 0.00 179.25 178.60 3hj4 h TYR 159 N 0.55 -0.14 -0.47 0.00 3.20 -1.27 -1.47 116.97 117.37 3hj4 h TYR 159 Ca 0.11 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 3hj4 h TYR 159 Cb 0.51 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3hj4 h TYR 159 CO 0.04 -0.08 -0.18 0.82 -1.64 0.00 0.00 178.16 177.12 3hj4 h ILE 160 N -0.15 1.27 -0.44 1.81 1.08 -1.07 -1.51 117.51 118.50 3hj4 h ILE 160 Ca -0.02 -1.33 0.07 0.00 -0.39 0.00 0.00 64.86 63.19 3hj4 h ILE 160 Cb 0.12 1.13 -0.06 0.00 -3.07 0.00 0.00 36.82 34.94 3hj4 h ILE 160 CO 0.03 0.46 0.09 -0.74 -0.69 0.00 0.00 178.15 177.29 3hj4 h HIS 161 N 0.81 0.15 -0.19 1.37 -0.00 -0.93 -1.17 115.15 115.19 3hj4 h HIS 161 Ca 0.11 0.03 -0.19 0.00 -0.00 0.00 0.00 60.37 60.32 3hj4 h HIS 161 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 3hj4 h HIS 161 CO 0.05 0.01 -0.64 -0.07 -0.00 0.00 0.00 177.93 177.28 3hj4 h LEU 162 N 0.22 0.79 -0.55 0.26 3.38 -1.01 0.95 115.31 119.35 3hj4 h LEU 162 Ca 0.22 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.78 3hj4 h LEU 162 Cb 0.27 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3hj4 h LEU 162 CO -0.28 1.23 0.27 0.58 0.09 0.00 0.00 178.44 180.33 3hj4 h VAL 163 N 0.51 0.92 -0.29 1.22 2.07 -1.13 -0.70 116.25 118.85 3hj4 h VAL 163 Ca -0.01 -0.17 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 3hj4 h VAL 163 Cb 1.23 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3hj4 h VAL 163 CO 0.13 0.09 -0.45 0.11 0.02 0.00 0.00 177.57 177.47 3hj4 h LYS 164 N 0.51 0.74 -0.24 1.57 1.57 -0.93 0.58 116.57 120.37 3hj4 h LYS 164 Ca 0.25 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3hj4 h LYS 164 Cb 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hj4 h LYS 164 CO -0.19 1.04 0.15 0.00 -0.57 0.00 0.00 179.45 179.87 3hj4 h ALA 165 N 0.90 0.30 0.00 3.86 0.00 -0.58 -0.23 119.26 123.51 3hj4 h ALA 165 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hj4 h ALA 165 Cb 1.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hj4 h ALA 165 CO 0.10 -0.20 -0.00 2.35 0.00 0.00 0.00 179.25 181.49 3hj4 h TRP 166 N 0.30 -0.00 -0.64 0.00 7.01 -1.03 -1.96 115.95 119.62 3hj4 h TRP 166 Ca 0.09 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.15 3hj4 h TRP 166 Cb 0.01 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.01 3hj4 h TRP 166 CO -0.05 0.07 0.33 0.78 -2.79 0.00 0.00 178.44 176.77 3hj4 h GLY 167 N -0.07 0.94 1.02 2.65 0.00 -0.54 -0.31 103.07 106.76 3hj4 h GLY 167 Ca -0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 3hj4 h GLY 167 CO 0.00 0.10 -0.36 0.50 0.00 0.00 0.00 176.54 176.78 3hj4 h LYS 168 N 0.60 0.76 -0.96 4.80 1.57 -1.05 0.85 116.57 123.14 3hj4 h LYS 168 Ca 0.30 -0.43 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3hj4 h LYS 168 Cb 0.25 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 3hj4 h LYS 168 CO -0.22 1.06 0.63 0.00 -0.57 0.00 0.00 179.45 180.35 3hj4 h ALA 169 N 0.70 1.35 -0.70 3.86 0.00 -0.96 -2.87 119.26 120.64 3hj4 h ALA 169 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hj4 h ALA 169 Cb 0.95 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hj4 h ALA 169 CO 0.09 0.57 0.00 0.54 0.00 0.00 0.00 179.25 180.45 3hj4 n ARG 170 N -4.42 2.75 -1.88 0.00 5.12 -0.16 -0.99 116.66 117.09 3hj4 n ARG 170 Ca 0.12 -2.57 -0.18 0.00 -1.93 0.00 0.00 57.85 53.28 3hj4 n ARG 170 Cb 0.06 -1.59 -0.05 0.00 -1.16 0.00 0.00 32.46 29.72 3hj4 n ARG 170 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hj4 n GLU 171 N 1.52 -1.58 0.08 5.56 1.02 -0.74 -4.85 120.64 121.65 3hj4 n GLU 171 Ca 0.24 1.02 -0.06 0.00 -0.02 0.00 0.00 57.16 58.33 3hj4 n GLU 171 Cb 0.63 -5.48 0.08 0.00 -0.02 0.00 0.00 31.44 26.65 3hj4 n GLU 171 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hj4 h VAL 172 N 0.00 1.41 -3.31 2.62 2.07 -1.17 -3.36 116.25 114.50 3hj4 h VAL 172 Ca -0.40 -2.13 -0.73 0.00 0.82 0.00 0.00 66.70 64.26 3hj4 h VAL 172 Cb 1.25 2.10 -0.29 0.00 -1.52 0.00 0.00 31.29 32.84 3hj4 h VAL 172 CO 0.54 0.63 -0.33 -0.63 0.02 0.00 0.00 177.57 177.80 3hj4 s ILE 173 N -3.63 4.44 -0.48 4.57 1.01 -0.47 -1.57 121.20 125.05 3hj4 s ILE 173 Ca -0.04 -1.86 0.05 0.00 0.00 0.00 0.00 60.65 58.80 3hj4 s ILE 173 Cb 0.11 -3.89 0.22 0.00 0.01 0.00 0.00 42.46 38.91 3hj4 s ILE 173 CO 0.81 -0.82 0.86 0.00 0.00 0.00 0.00 174.94 175.80 3hj4 n ALA 174 N 4.82 -1.85 0.28 9.38 0.00 -0.62 -4.34 120.51 128.17 3hj4 n ALA 174 Ca -0.06 -1.12 0.11 0.00 0.00 0.00 0.00 53.44 52.37 3hj4 n ALA 174 Cb 0.41 -1.61 0.77 0.00 0.00 0.00 0.00 19.45 19.01 3hj4 n ALA 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hj4 h PRO 175 N 4.33 0.00 0.00 0.00 0.11 -1.71 -0.26 132.00 134.47 3hj4 h PRO 175 Ca -0.07 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3hj4 h PRO 175 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hj4 h PRO 175 CO 0.16 0.02 -0.12 1.49 -0.21 0.00 0.00 178.00 179.33 3hj4 h GLU 176 N 0.00 0.00 -0.48 1.05 4.81 -1.92 -2.55 114.58 115.48 3hj4 h GLU 176 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3hj4 h GLU 176 Cb 0.04 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3hj4 h GLU 176 CO 0.00 0.12 0.07 0.54 -0.73 0.00 0.00 179.01 179.01 3hj4 n ARG 177 N -3.45 3.62 -2.12 1.92 1.74 -0.14 -4.96 116.66 113.27 3hj4 n ARG 177 Ca -0.01 -3.03 -0.17 0.00 -0.77 0.00 0.00 57.85 53.86 3hj4 n ARG 177 Cb 0.29 -2.07 -0.02 0.00 -1.02 0.00 0.00 32.46 29.64 3hj4 n ARG 177 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hj4 n SER 178 N -0.15 -5.08 -0.11 0.55 7.64 -0.96 -4.97 113.62 110.54 3hj4 n SER 178 Ca 0.29 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.27 3hj4 n SER 178 Cb 1.13 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 60.18 3hj4 n SER 178 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hj4 n THR 179 N -3.64 0.00 -1.76 0.44 -2.24 -1.00 -2.77 114.28 103.31 3hj4 n THR 179 Ca -0.20 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 3hj4 n THR 179 Cb 0.63 -0.92 0.04 0.00 -2.10 0.00 0.00 70.33 67.98 3hj4 n THR 179 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hj4 s PHE 180 N 1.87 3.01 0.56 4.78 0.08 -0.61 -4.16 117.98 123.50 3hj4 s PHE 180 Ca 0.00 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.53 3hj4 s PHE 180 Cb 0.00 -2.95 0.03 0.00 -0.57 0.00 0.00 43.02 39.53 3hj4 s PHE 180 CO 0.00 -1.23 0.79 0.54 -0.10 0.00 0.00 175.22 175.22 3hj4 s ASN 181 N -3.30 5.29 0.28 1.36 2.20 -1.26 -1.59 114.94 117.92 3hj4 s ASN 181 Ca 0.61 0.08 0.01 0.00 -0.94 0.00 0.00 52.86 52.61 3hj4 s ASN 181 Cb -0.15 -0.98 0.40 0.00 -2.00 0.00 0.00 41.25 38.52 3hj4 s ASN 181 CO 0.47 -1.14 1.75 0.28 -2.94 0.00 0.00 177.10 175.52 3hj4 h SER 182 N 0.04 0.60 -0.68 3.54 0.02 -1.97 -2.62 113.55 112.49 3hj4 h SER 182 Ca -0.43 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.29 3hj4 h SER 182 Cb 1.29 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 3hj4 h SER 182 CO 0.54 0.76 0.16 0.15 -1.14 0.00 0.00 176.83 177.29 3hj4 h PHE 183 N 0.56 1.14 -0.35 3.45 3.57 -1.99 0.05 116.94 123.37 3hj4 h PHE 183 Ca 0.10 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3hj4 h PHE 183 Cb 0.55 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3hj4 h PHE 183 CO 0.02 0.93 0.14 1.15 -2.23 0.00 0.00 178.31 178.32 3hj4 h THR 184 N 1.01 1.19 -0.09 4.41 2.02 -1.83 -0.83 112.91 118.80 3hj4 h THR 184 Ca 0.21 -0.58 -0.16 0.00 0.77 0.00 0.00 66.41 66.65 3hj4 h THR 184 Cb 0.37 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3hj4 h THR 184 CO 0.00 0.21 -0.64 0.58 0.37 0.00 0.00 175.52 176.04 3hj4 h VAL 185 N 0.41 1.38 -0.27 3.16 2.07 -1.30 -2.74 116.25 118.97 3hj4 h VAL 185 Ca 0.12 -2.02 0.03 0.00 0.82 0.00 0.00 66.70 65.65 3hj4 h VAL 185 Cb 0.19 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3hj4 h VAL 185 CO -0.01 0.60 0.09 0.74 0.02 0.00 0.00 177.57 179.02 3hj4 h THR 186 N 0.23 0.93 0.00 2.57 2.02 -0.71 0.14 112.91 118.09 3hj4 h THR 186 Ca -0.01 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hj4 h THR 186 Cb 1.17 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3hj4 h THR 186 CO 0.10 0.04 0.00 0.41 0.37 0.00 0.00 175.52 176.44 3hj4 n THR 187 N -5.03 0.00 0.00 3.16 -1.04 -0.34 -1.23 114.28 109.80 3hj4 n THR 187 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3hj4 n THR 187 Cb 0.09 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 3hj4 n THR 187 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hj4 n ALA 189 N 0.75 0.00 0.02 2.41 0.00 0.03 -4.73 120.51 118.99 3hj4 n ALA 189 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hj4 n ALA 189 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hj4 n ALA 189 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hj4 n LEU 190 N 0.00 1.80 0.00 0.00 4.77 -0.36 -2.78 117.00 120.43 3hj4 n LEU 190 Ca 0.00 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3hj4 n LEU 190 Cb 0.00 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3hj4 n LEU 190 CO 0.00 0.33 0.00 0.52 -1.33 0.00 0.00 177.39 176.91 3hj4 n VAL 192 N 1.44 0.00 -0.28 4.08 0.31 -1.26 -1.76 118.33 120.85 3hj4 n VAL 192 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3hj4 n VAL 192 Cb 0.20 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.24 3hj4 n VAL 192 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hj4 h LEU 193 N 0.00 0.80 -0.47 7.52 3.38 -1.91 -1.29 115.31 123.33 3hj4 h LEU 193 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3hj4 h LEU 193 Cb 0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3hj4 h LEU 193 CO 0.00 0.54 0.25 1.56 0.09 0.00 0.00 178.44 180.88 3hj4 h GLN 194 N 0.94 0.49 -0.30 1.13 4.20 -1.51 0.17 115.11 120.23 3hj4 h GLN 194 Ca 0.33 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 3hj4 h GLN 194 Cb 0.07 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3hj4 h GLN 194 CO -0.13 0.32 0.14 0.93 -0.67 0.00 0.00 178.83 179.42 3hj4 h GLU 195 N 0.50 0.41 0.00 1.46 4.39 -1.72 -1.21 114.58 118.42 3hj4 h GLU 195 Ca 0.20 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3hj4 h GLU 195 Cb 0.07 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3hj4 h GLU 195 CO -0.12 0.33 0.00 1.28 -1.16 0.00 0.00 179.01 179.34 3hj4 n LEU 196 N -4.43 0.00 -0.03 1.33 4.77 -0.54 -4.92 117.00 113.17 3hj4 n LEU 196 Ca 0.01 0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3hj4 n LEU 196 Cb 0.11 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3hj4 n LEU 196 CO 0.36 -0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3hj4 n GLY 197 N 1.32 0.44 1.27 -0.72 0.00 -0.46 -4.95 105.19 102.10 3hj4 n GLY 197 Ca 0.13 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.43 3hj4 n GLY 197 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hj4 n LEU 198 N -0.05 3.74 -3.63 0.99 4.77 0.53 -4.86 117.00 118.49 3hj4 n LEU 198 Ca -0.00 -1.76 -0.15 0.00 -0.03 0.00 0.00 56.01 54.06 3hj4 n LEU 198 Cb 0.02 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 3hj4 n LEU 198 CO 0.01 0.88 0.34 -0.22 -1.33 0.00 0.00 177.39 177.06 3hj4 s LEU 199 N -1.23 -0.41 0.71 2.23 2.96 -1.20 -4.84 118.68 116.89 3hj4 s LEU 199 Ca 0.44 1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 55.31 3hj4 s LEU 199 Cb 0.24 2.22 0.02 0.00 0.50 0.00 0.00 46.19 49.17 3hj4 s LEU 199 CO 0.33 -0.33 1.06 -2.16 -1.32 0.00 0.00 176.35 173.93 3hj4 s PRO 200 N -0.15 2.83 -0.11 0.98 0.04 -1.26 -4.19 135.00 133.14 3hj4 s PRO 200 Ca -0.04 0.92 -0.21 0.00 0.04 0.00 0.00 61.00 61.71 3hj4 s PRO 200 Cb -0.03 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3hj4 s PRO 200 CO 0.03 -1.16 0.62 0.08 0.04 0.00 0.00 177.00 176.61 3hj4 s VAL 201 N -3.06 5.09 -1.38 -0.36 1.01 -1.26 -4.89 120.40 115.55 3hj4 s VAL 201 Ca 0.58 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.72 3hj4 s VAL 201 Cb -0.14 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.38 3hj4 s VAL 201 CO 0.55 0.25 2.26 0.49 0.00 0.00 0.00 175.10 178.65 3hj4 n PHE 202 N 3.98 2.85 1.24 5.22 3.72 -0.81 -4.75 117.46 128.91 3hj4 n PHE 202 Ca -0.03 -2.88 0.14 0.00 -0.05 0.00 0.00 57.45 54.64 3hj4 n PHE 202 Cb 0.51 -2.10 0.67 0.00 -0.94 0.00 0.00 39.48 37.62 3hj4 n PHE 202 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hj4 n SER 203 N 3.56 0.05 -3.34 4.37 3.41 -1.25 -4.17 113.62 116.25 3hj4 n SER 203 Ca 0.55 0.08 -0.26 0.00 -0.26 0.00 0.00 58.87 58.98 3hj4 n SER 203 Cb 0.31 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 3hj4 n SER 203 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hj4 n LYS 204 N -1.36 2.04 -2.13 4.33 3.00 -1.26 -5.02 118.16 117.77 3hj4 n LYS 204 Ca 0.11 -4.27 -0.41 0.00 -0.00 0.00 0.00 58.31 53.74 3hj4 n LYS 204 Cb 0.29 -1.97 -0.03 0.00 0.00 0.00 0.00 35.03 33.32 3hj4 n LYS 204 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3hj4 s PRO 205 N -2.16 4.35 -0.06 1.64 0.04 -1.26 -4.93 135.00 132.63 3hj4 s PRO 205 Ca 0.39 2.18 0.09 0.00 0.04 0.00 0.00 61.00 63.69 3hj4 s PRO 205 Cb 0.16 -3.13 0.13 0.00 0.04 0.00 0.00 34.50 31.70 3hj4 s PRO 205 CO -0.04 -0.27 1.04 0.25 0.04 0.00 0.00 177.00 178.01 3hj4 n THR 206 N 1.92 1.29 -0.94 1.26 -2.24 -1.21 -4.81 114.28 109.55 3hj4 n THR 206 Ca 0.04 -1.46 -0.32 0.00 -2.27 0.00 0.00 64.05 60.04 3hj4 n THR 206 Cb 0.42 0.19 0.14 0.00 -2.10 0.00 0.00 70.33 68.98 3hj4 n THR 206 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hj4 s GLY 207 N -1.79 1.89 0.58 3.38 0.00 -0.14 -4.88 107.32 106.35 3hj4 s GLY 207 Ca 0.14 0.67 0.28 0.00 0.00 0.00 0.00 44.72 45.81 3hj4 s GLY 207 CO 0.01 1.08 2.19 -2.09 0.00 0.00 0.00 173.10 174.29 3hj4 h GLU 208 N -1.37 0.00 -0.15 2.90 4.81 -1.98 -0.70 114.58 118.09 3hj4 h GLU 208 Ca -0.44 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3hj4 h GLU 208 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 3hj4 h GLU 208 CO 0.44 0.00 -0.01 1.19 -0.73 0.00 0.00 179.01 179.91 3hj4 n PHE 209 N -3.89 0.55 -0.99 0.92 3.72 -1.26 -4.95 117.46 111.56 3hj4 n PHE 209 Ca -0.01 -0.95 0.00 0.00 -0.05 0.00 0.00 57.45 56.44 3hj4 n PHE 209 Cb 0.18 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 3hj4 n PHE 209 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hj4 n GLY 210 N -0.91 0.50 3.92 1.37 0.00 -0.27 -4.70 105.19 105.10 3hj4 n GLY 210 Ca 0.19 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3hj4 n GLY 210 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hj4 s GLU 211 N -0.03 2.89 0.10 1.61 1.03 -1.26 -4.70 118.70 118.34 3hj4 s GLU 211 Ca 0.00 -0.02 -0.30 0.00 0.03 0.00 0.00 54.97 54.68 3hj4 s GLU 211 Cb 0.00 -2.27 -0.05 0.00 -0.80 0.00 0.00 34.13 31.00 3hj4 s GLU 211 CO 0.00 -0.72 0.99 -1.17 -1.33 0.00 0.00 175.26 173.04 3hj4 s LEU 212 N -5.00 4.47 0.32 1.83 2.96 -0.60 -0.97 118.68 121.70 3hj4 s LEU 212 Ca 0.54 1.82 0.07 0.00 -0.22 0.00 0.00 54.13 56.34 3hj4 s LEU 212 Cb -0.11 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3hj4 s LEU 212 CO 0.45 -0.14 0.31 0.42 -1.32 0.00 0.00 176.35 176.07 3hj4 s THR 213 N 0.21 3.78 0.28 3.68 -4.23 -1.26 -4.47 115.64 113.63 3hj4 s THR 213 Ca 0.49 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 3hj4 s THR 213 Cb -0.24 -3.27 0.24 0.00 1.34 0.00 0.00 72.50 70.58 3hj4 s THR 213 CO 0.30 -0.20 1.93 0.58 -0.54 0.00 0.00 174.62 176.69 3hj4 h VAL 214 N 1.23 1.23 -0.51 2.29 2.07 -1.97 -2.47 116.25 118.12 3hj4 h VAL 214 Ca -0.46 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 3hj4 h VAL 214 Cb 1.25 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3hj4 h VAL 214 CO 0.58 0.23 -0.15 0.00 0.02 0.00 0.00 177.57 178.25 3hj4 h ALA 215 N 1.42 0.77 -0.32 1.67 0.00 -1.99 -0.73 119.26 120.09 3hj4 h ALA 215 Ca 0.30 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hj4 h ALA 215 Cb -0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 3hj4 h ALA 215 CO -0.06 0.67 -0.13 -0.44 0.00 0.00 0.00 179.25 179.29 3hj4 h ASP 216 N 0.86 -0.44 -0.22 0.00 3.32 -1.85 -3.09 116.42 115.00 3hj4 h ASP 216 Ca 0.13 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3hj4 h ASP 216 Cb 0.71 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3hj4 h ASP 216 CO 0.05 -0.16 -0.04 0.00 -1.72 0.00 0.00 179.24 177.37 3hj4 h ALA 217 N 1.20 0.31 0.00 3.45 0.00 -1.15 -2.64 119.26 120.42 3hj4 h ALA 217 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hj4 h ALA 217 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hj4 h ALA 217 CO -0.37 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.36 3hj4 n GLU 218 N -4.60 0.00 0.00 0.00 1.02 -0.30 -0.77 120.64 115.98 3hj4 n GLU 218 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3hj4 n GLU 218 Cb 0.28 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 3hj4 n GLU 218 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hj4 n LEU 220 N 0.58 0.00 0.15 -4.62 7.94 -1.00 -0.98 117.00 119.07 3hj4 n LEU 220 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 3hj4 n LEU 220 Cb 0.00 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.01 3hj4 n LEU 220 CO 0.00 0.00 0.52 -0.07 -1.11 0.00 0.00 177.39 176.73 3hj4 h LEU 221 N 0.00 0.00 -0.54 -1.96 3.38 -1.23 -3.34 115.31 111.62 3hj4 h LEU 221 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3hj4 h LEU 221 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3hj4 h LEU 221 CO 0.00 0.44 0.04 -0.61 0.09 0.00 0.00 178.44 178.40 3hj4 h GLN 222 N 0.00 0.15 -0.33 1.13 4.15 -1.30 -2.07 115.11 116.85 3hj4 h GLN 222 Ca -0.00 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 3hj4 h GLN 222 Cb 1.32 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.94 3hj4 h GLN 222 CO 0.06 0.10 0.01 0.39 -1.93 0.00 0.00 178.83 177.46 3hj4 n GLU 223 N -5.20 2.74 -2.32 1.69 -0.58 -1.26 -5.00 120.64 110.70 3hj4 n GLU 223 Ca 0.07 -2.94 -0.41 0.00 -0.42 0.00 0.00 57.16 53.46 3hj4 n GLU 223 Cb 0.29 -1.87 -0.03 0.00 -0.57 0.00 0.00 31.44 29.26 3hj4 n GLU 223 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3hj4 s PHE 224 N -2.94 3.36 -0.16 -0.32 5.36 -0.78 -5.01 117.98 117.49 3hj4 s PHE 224 Ca 0.44 1.45 -0.01 0.00 -0.96 0.00 0.00 56.93 57.85 3hj4 s PHE 224 Cb 0.37 -3.47 -0.01 0.00 -0.34 0.00 0.00 43.02 39.56 3hj4 s PHE 224 CO 0.07 -1.29 -0.11 0.15 -1.46 0.00 0.00 175.22 172.58 3hj4 s LYS 225 N -0.77 3.38 0.82 10.12 -0.14 -1.26 -5.06 119.74 126.83 3hj4 s LYS 225 Ca 0.51 -0.67 -0.11 0.00 -1.36 0.00 0.00 55.97 54.34 3hj4 s LYS 225 Cb -0.34 -2.74 0.08 0.00 -1.68 0.00 0.00 37.83 33.15 3hj4 s LYS 225 CO 0.41 0.10 1.09 -0.51 -0.76 0.00 0.00 175.35 175.68 3hj4 s LEU 226 N 0.67 2.55 0.63 3.17 1.43 -1.26 -5.00 118.68 120.87 3hj4 s LEU 226 Ca -0.06 1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 3hj4 s LEU 226 Cb -0.15 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.06 3hj4 s LEU 226 CO 0.02 -2.13 1.03 -2.65 0.23 0.00 0.00 176.35 172.85 3hj4 n PRO 227 N -3.55 0.89 0.11 1.29 -0.02 -1.26 -4.86 135.00 127.60 3hj4 n PRO 227 Ca 0.07 0.35 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 3hj4 n PRO 227 Cb 0.56 -2.25 0.59 0.00 -0.02 0.00 0.00 33.50 32.37 3hj4 n PRO 227 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hj4 h PRO 228 N 0.39 0.16 -0.58 0.52 0.11 -2.04 -0.28 132.00 130.27 3hj4 h PRO 228 Ca -0.49 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.76 3hj4 h PRO 228 Cb 1.36 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 3hj4 h PRO 228 CO 0.51 0.10 0.41 0.97 -0.21 0.00 0.00 178.00 179.78 3hj4 h ILE 229 N 0.16 0.75 0.00 4.15 2.10 -2.02 -1.09 117.51 121.56 3hj4 h ILE 229 Ca 0.12 -0.04 -0.01 0.00 1.08 0.00 0.00 64.86 66.01 3hj4 h ILE 229 Cb 0.27 0.64 -0.00 0.00 -1.09 0.00 0.00 36.82 36.64 3hj4 h ILE 229 CO -0.02 0.02 -0.03 1.88 -1.08 0.00 0.00 178.15 178.92 3hj4 h TYR 230 N 0.11 0.00 0.00 2.19 0.05 -1.38 -0.75 116.97 117.19 3hj4 h TYR 230 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 3hj4 h TYR 230 Cb 0.96 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.70 3hj4 h TYR 230 CO -0.00 0.03 0.00 -0.44 -1.05 0.00 0.00 178.16 176.70 3hj4 h ASP 231 N 0.00 0.00 -0.62 3.88 3.32 -1.36 -2.38 116.42 119.26 3hj4 h ASP 231 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hj4 h ASP 231 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hj4 h ASP 231 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 3hj4 n SER 232 N -2.43 3.80 -0.72 6.45 3.41 -0.29 -4.47 113.62 119.37 3hj4 n SER 232 Ca -0.00 -2.00 0.07 0.00 -0.26 0.00 0.00 58.87 56.68 3hj4 n SER 232 Cb 0.14 -0.41 0.15 0.00 -0.26 0.00 0.00 64.21 63.83 3hj4 n SER 232 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hj4 n LEU 233 N 1.61 2.84 0.16 1.04 4.32 -0.90 -4.62 117.00 121.46 3hj4 n LEU 233 Ca 0.23 -1.69 0.12 0.00 -0.02 0.00 0.00 56.01 54.64 3hj4 n LEU 233 Cb 0.62 -0.20 0.16 0.00 -1.62 0.00 0.00 43.42 42.38 3hj4 n LEU 233 CO 0.16 0.67 0.59 0.45 -1.22 0.00 0.00 177.39 178.04 3hj4 h HIS 234 N 2.57 0.00 -0.03 -1.77 3.86 -1.78 -3.35 115.15 114.65 3hj4 h HIS 234 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hj4 h HIS 234 Cb 0.72 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.19 3hj4 h HIS 234 CO 0.20 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.74 3hj4 n ASP 235 N -2.80 1.66 -3.50 2.45 10.43 -1.26 -4.97 116.55 118.56 3hj4 n ASP 235 Ca 0.03 -1.35 -0.18 0.00 2.57 0.00 0.00 54.79 55.86 3hj4 n ASP 235 Cb 0.51 -0.01 -0.13 0.00 1.84 0.00 0.00 41.12 43.33 3hj4 n ASP 235 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3hj4 s ASP 236 N -0.61 1.37 0.39 -2.24 -1.08 -1.26 -5.02 116.67 108.23 3hj4 s ASP 236 Ca 0.09 -0.21 0.27 0.00 -0.52 0.00 0.00 52.55 52.17 3hj4 s ASP 236 Cb 0.06 0.37 0.80 0.00 -1.46 0.00 0.00 42.92 42.69 3hj4 s ASP 236 CO 0.09 -0.32 1.76 0.44 0.52 0.00 0.00 175.17 177.65 3hj4 h ASP 237 N 8.31 0.00 -0.45 -0.34 3.32 -1.93 -0.73 116.42 124.60 3hj4 h ASP 237 Ca -0.17 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 3hj4 h ASP 237 Cb 1.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 3hj4 h ASP 237 CO 0.28 0.00 0.04 -0.33 -1.72 0.00 0.00 179.24 177.51 3hj4 h GLU 238 N 0.00 0.77 -0.01 3.56 5.08 -1.95 0.11 114.58 122.14 3hj4 h GLU 238 Ca 0.00 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 3hj4 h GLU 238 Cb 0.72 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.90 3hj4 h GLU 238 CO 0.00 0.81 -0.36 0.87 -1.00 0.00 0.00 179.01 179.33 3hj4 h LYS 239 N 0.62 0.25 -0.71 2.33 1.57 -1.84 -2.73 116.57 116.06 3hj4 h LYS 239 Ca 0.13 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3hj4 h LYS 239 Cb 0.44 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 3hj4 h LYS 239 CO 0.02 0.97 0.35 1.25 -0.57 0.00 0.00 179.45 181.47 3hj4 h LEU 240 N -0.36 0.92 -1.28 2.94 5.85 -1.24 -2.88 115.31 119.26 3hj4 h LEU 240 Ca -0.04 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.69 3hj4 h LEU 240 Cb 1.09 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.82 3hj4 h LEU 240 CO 0.07 0.78 0.57 1.23 -0.34 0.00 0.00 178.44 180.76 3hj4 h GLY 241 N 0.99 1.21 1.00 3.75 0.00 -0.78 -1.10 103.07 108.14 3hj4 h GLY 241 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3hj4 h GLY 241 CO -0.03 0.11 0.37 0.83 0.00 0.00 0.00 176.54 177.82 3hj4 h GLU 242 N 0.72 0.91 -0.18 4.80 5.08 -1.26 0.12 114.58 124.77 3hj4 h GLU 242 Ca 0.44 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 3hj4 h GLU 242 Cb 0.65 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3hj4 h GLU 242 CO -0.20 0.67 0.08 0.00 -1.00 0.00 0.00 179.01 178.56 3hj4 h ALA 243 N 1.19 0.23 -0.77 3.43 0.00 -1.22 -2.28 119.26 119.84 3hj4 h ALA 243 Ca 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hj4 h ALA 243 Cb 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3hj4 h ALA 243 CO -0.04 -0.19 0.41 0.28 0.00 0.00 0.00 179.25 179.71 3hj4 h VAL 244 N 0.15 1.24 -0.62 0.00 2.07 -1.12 -1.92 116.25 116.04 3hj4 h VAL 244 Ca 0.06 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3hj4 h VAL 244 Cb 0.15 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3hj4 h VAL 244 CO -0.01 0.27 0.33 0.15 0.02 0.00 0.00 177.57 178.33 3hj4 h PHE 245 N 1.08 0.86 -0.14 1.57 3.57 -0.70 0.78 116.94 123.96 3hj4 h PHE 245 Ca 0.27 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3hj4 h PHE 245 Cb 0.06 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3hj4 h PHE 245 CO 0.00 0.63 0.09 0.35 -2.23 0.00 0.00 178.31 177.15 3hj4 h PHE 246 N 0.84 0.16 -0.84 0.41 3.57 -1.13 -0.56 116.94 119.40 3hj4 h PHE 246 Ca 0.22 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 3hj4 h PHE 246 Cb 0.06 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3hj4 h PHE 246 CO -0.01 0.10 0.55 0.00 -2.23 0.00 0.00 178.31 176.73 3hj4 h LEU 248 N 1.11 0.77 -0.47 0.00 3.38 -0.31 0.30 115.31 120.08 3hj4 h LEU 248 Ca 0.31 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3hj4 h LEU 248 Cb -0.09 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 3hj4 h LEU 248 CO -0.08 0.77 0.10 1.56 0.09 0.00 0.00 178.44 180.89 3hj4 h GLN 249 N 0.73 0.24 -0.57 1.13 4.20 -0.65 -1.17 115.11 119.02 3hj4 h GLN 249 Ca 0.17 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3hj4 h GLN 249 Cb 0.27 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3hj4 h GLN 249 CO -0.01 0.16 0.01 0.00 -0.67 0.00 0.00 178.83 178.32 3hj4 h ARG 250 N 0.24 0.99 -0.19 1.46 2.47 -0.84 -1.85 114.38 116.66 3hj4 h ARG 250 Ca 0.23 -0.29 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3hj4 h ARG 250 Cb 0.29 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3hj4 h ARG 250 CO -0.29 0.96 0.11 0.35 0.56 0.00 0.00 179.97 181.66 3hj4 h PHE 251 N 0.91 0.26 -0.31 3.04 3.57 -0.74 0.19 116.94 123.85 3hj4 h PHE 251 Ca 0.17 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3hj4 h PHE 251 Cb 0.52 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3hj4 h PHE 251 CO 0.03 0.22 0.05 0.00 -2.23 0.00 0.00 178.31 176.39 3hj4 h ALA 252 N 1.01 0.41 -0.33 2.41 0.00 -1.01 -2.71 119.26 119.04 3hj4 h ALA 252 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hj4 h ALA 252 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hj4 h ALA 252 CO -0.01 0.10 0.18 1.49 0.00 0.00 0.00 179.25 181.01 3hj4 h GLU 253 N 0.34 0.47 -0.14 0.00 4.81 -1.29 -1.29 114.58 117.48 3hj4 h GLU 253 Ca 0.09 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3hj4 h GLU 253 Cb 0.34 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 3hj4 h GLU 253 CO 0.01 0.40 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.43 3hj4 h TYR 254 N 0.41 -0.91 0.00 0.92 3.20 -0.40 -2.73 116.97 117.47 3hj4 h TYR 254 Ca 0.12 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3hj4 h TYR 254 Cb 0.07 0.42 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3hj4 h TYR 254 CO -0.03 -0.40 -0.41 0.66 -1.64 0.00 0.00 178.16 176.34 3hj4 n TYR 255 N -5.41 0.57 0.04 -3.82 4.01 -1.04 -0.69 117.16 110.81 3hj4 n TYR 255 Ca -0.03 0.17 0.02 0.00 -0.16 0.00 0.00 57.90 57.90 3hj4 n TYR 255 Cb 0.33 -0.68 0.38 0.00 -0.31 0.00 0.00 39.34 39.05 3hj4 n TYR 255 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hj4 h ALA 256 N 2.59 1.55 0.00 -0.72 0.00 -1.03 -3.31 119.26 118.34 3hj4 h ALA 256 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hj4 h ALA 256 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hj4 h ALA 256 CO 0.00 0.34 -1.13 1.63 0.00 0.00 0.00 179.25 180.09 3hj4 n LYS 257 N -4.36 1.54 -1.71 0.00 5.02 -1.05 -4.89 118.16 112.71 3hj4 n LYS 257 Ca 0.01 -0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 3hj4 n LYS 257 Cb 0.17 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 3hj4 n LYS 257 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3hj4 n TYR 258 N -1.65 2.59 -2.79 2.13 9.36 0.14 -4.91 117.16 122.03 3hj4 n TYR 258 Ca -0.00 0.22 -0.43 0.00 3.32 0.00 0.00 57.90 61.01 3hj4 n TYR 258 Cb 0.27 -2.59 -0.03 0.00 -0.63 0.00 0.00 39.34 36.36 3hj4 n TYR 258 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3hj4 s ASP 259 N 0.75 6.31 0.00 2.98 2.15 -1.26 -4.84 116.67 122.76 3hj4 s ASP 259 Ca 0.71 -1.19 0.27 0.00 0.43 0.00 0.00 52.55 52.78 3hj4 s ASP 259 Cb -0.56 -2.46 1.46 0.00 -0.30 0.00 0.00 42.92 41.06 3hj4 s ASP 259 CO 0.41 -1.43 1.95 0.49 -0.17 0.00 0.00 175.17 176.42 3hj4 n PHE 260 N 7.87 0.00 -0.10 -5.34 3.72 -1.26 -1.50 117.46 120.84 3hj4 n PHE 260 Ca 0.08 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3hj4 n PHE 260 Cb 0.47 -0.20 0.17 0.00 -0.94 0.00 0.00 39.48 38.98 3hj4 n PHE 260 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hj4 h SER 261 N 0.00 0.75 0.00 4.37 4.64 -1.91 -3.36 113.55 118.04 3hj4 h SER 261 Ca 0.00 -0.18 -0.29 0.00 -0.47 0.00 0.00 61.79 60.85 3hj4 h SER 261 Cb 0.17 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 3hj4 h SER 261 CO 0.00 0.81 -2.07 0.00 -0.87 0.00 0.00 176.83 174.70 3hj4 n ALA 262 N -2.47 1.64 -2.52 5.18 0.00 -1.21 -4.87 120.51 116.24 3hj4 n ALA 262 Ca 0.02 -0.79 -0.33 0.00 0.00 0.00 0.00 53.44 52.34 3hj4 n ALA 262 Cb 0.30 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 3hj4 n ALA 262 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hj4 s GLY 263 N -5.67 2.33 0.42 0.00 0.00 -0.56 -0.45 107.32 103.38 3hj4 s GLY 263 Ca -0.26 -0.35 0.07 0.00 0.00 0.00 0.00 44.72 44.19 3hj4 s GLY 263 CO 0.40 -0.17 0.32 -0.51 0.00 0.00 0.00 173.10 173.15 3hj4 s THR 264 N -1.56 2.51 -0.19 0.90 -4.23 -0.52 -4.45 115.64 108.09 3hj4 s THR 264 Ca 0.39 -1.45 -0.07 0.00 -1.18 0.00 0.00 61.69 59.38 3hj4 s THR 264 Cb -0.13 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 3hj4 s THR 264 CO 0.20 0.00 0.04 -0.69 -0.54 0.00 0.00 174.62 173.63 3hj4 s VAL 265 N -2.53 4.47 -0.15 2.29 1.01 -0.07 -3.55 120.40 121.88 3hj4 s VAL 265 Ca 0.45 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 3hj4 s VAL 265 Cb -0.01 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.39 3hj4 s VAL 265 CO 0.26 0.44 0.47 -0.55 0.00 0.00 0.00 175.10 175.72 3hj4 s SER 266 N 0.67 -0.47 0.00 3.32 0.15 -1.26 -0.45 113.70 115.65 3hj4 s SER 266 Ca 0.02 0.84 0.24 0.00 0.70 0.00 0.00 55.95 57.76 3hj4 s SER 266 Cb -0.13 0.87 0.40 0.00 -1.71 0.00 0.00 66.02 65.45 3hj4 s SER 266 CO 0.02 -0.23 1.34 0.18 1.20 0.00 0.00 173.24 175.75 3hj4 n LEU 267 N 2.51 0.63 -0.01 3.45 4.77 -1.26 -3.13 117.00 123.96 3hj4 n LEU 267 Ca -0.15 -0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.52 3hj4 n LEU 267 Cb 0.57 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 3hj4 n LEU 267 CO 0.13 0.15 -0.55 0.40 -1.33 0.00 0.00 177.39 176.19 3hj4 h ILE 268 N 0.10 0.90 -2.33 -0.08 2.04 -1.95 -2.16 117.51 114.03 3hj4 h ILE 268 Ca 0.00 -2.35 -0.56 0.00 1.00 0.00 0.00 64.86 62.94 3hj4 h ILE 268 Cb 0.50 2.58 -0.37 0.00 -0.74 0.00 0.00 36.82 38.79 3hj4 h ILE 268 CO 0.00 0.70 -0.93 -2.28 0.00 0.00 0.00 178.15 175.64 3hj4 s HIS 269 N -2.49 0.88 0.15 1.37 5.04 -1.26 -3.75 115.29 115.23 3hj4 s HIS 269 Ca -0.22 -2.11 -0.34 0.00 -1.54 0.00 0.00 55.06 50.85 3hj4 s HIS 269 Cb 0.05 -0.85 -0.16 0.00 0.04 0.00 0.00 32.58 31.67 3hj4 s HIS 269 CO 0.74 -0.85 1.24 -2.30 -2.34 0.00 0.00 174.74 171.23 3hj4 n PRO 270 N 3.06 1.24 -0.99 2.88 -0.02 -1.18 -1.83 135.00 138.15 3hj4 n PRO 270 Ca 0.26 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3hj4 n PRO 270 Cb 0.47 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3hj4 n PRO 270 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hj4 n ARG 271 N 2.03 -0.48 -1.60 -0.52 1.74 -1.23 -4.98 116.66 111.62 3hj4 n ARG 271 Ca 0.16 0.12 -0.50 0.00 -0.77 0.00 0.00 57.85 56.85 3hj4 n ARG 271 Cb 0.24 -3.48 -0.05 0.00 -1.02 0.00 0.00 32.46 28.14 3hj4 n ARG 271 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3hj4 n ARG 272 N -1.97 1.32 -1.75 5.56 0.63 -0.76 -4.39 116.66 115.29 3hj4 n ARG 272 Ca 0.00 0.47 -0.39 0.00 -0.92 0.00 0.00 57.85 57.01 3hj4 n ARG 272 Cb 0.12 -2.11 0.04 0.00 0.45 0.00 0.00 32.46 30.96 3hj4 n ARG 272 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 3hj4 n HIS 273 N 2.46 2.43 -0.31 -0.14 -0.00 -1.26 -1.44 115.22 116.96 3hj4 n HIS 273 Ca 0.17 0.43 0.14 0.00 -0.00 0.00 0.00 57.72 58.47 3hj4 n HIS 273 Cb 0.22 -2.39 0.32 0.00 -0.00 0.00 0.00 29.99 28.13 3hj4 n HIS 273 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hj4 h ARG 274 N 1.65 0.33 0.00 1.57 3.08 -1.05 -0.33 114.38 119.62 3hj4 h ARG 274 Ca -0.51 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.47 3hj4 h ARG 274 Cb 1.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3hj4 h ARG 274 CO 0.58 0.22 -0.26 1.79 -1.07 0.00 0.00 179.97 181.23 3hj4 h THR 275 N 0.34 0.49 0.13 2.04 1.35 -1.89 -0.26 112.91 115.11 3hj4 h THR 275 Ca 0.57 -1.50 -0.23 0.00 -0.55 0.00 0.00 66.41 64.71 3hj4 h THR 275 Cb 1.14 2.09 0.02 0.00 -1.73 0.00 0.00 68.15 69.67 3hj4 h THR 275 CO -0.57 0.26 -0.96 0.58 -0.25 0.00 0.00 175.52 174.58 3hj4 h VAL 276 N 0.00 1.42 -0.90 6.82 2.07 -1.49 -2.92 116.25 121.24 3hj4 h VAL 276 Ca -0.00 -2.46 0.14 0.00 0.82 0.00 0.00 66.70 65.20 3hj4 h VAL 276 Cb 1.06 2.96 -0.09 0.00 -1.52 0.00 0.00 31.29 33.71 3hj4 h VAL 276 CO 0.03 0.72 0.51 0.22 0.02 0.00 0.00 177.57 179.07 3hj4 h TYR 277 N -0.11 0.91 -0.63 1.57 3.20 -0.90 -0.27 116.97 120.74 3hj4 h TYR 277 Ca -0.16 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.82 3hj4 h TYR 277 Cb 1.71 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 39.65 3hj4 h TYR 277 CO 0.16 0.28 0.31 1.49 -1.64 0.00 0.00 178.16 178.76 3hj4 h GLU 278 N 0.76 0.54 -0.47 1.82 4.57 -1.04 0.13 114.58 120.88 3hj4 h GLU 278 Ca 0.47 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.57 3hj4 h GLU 278 Cb 0.60 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 3hj4 h GLU 278 CO -0.32 0.36 0.09 -0.09 -1.18 0.00 0.00 179.01 177.86 3hj4 h ARG 279 N 0.55 0.77 -0.54 1.92 1.12 -1.07 -0.49 114.38 116.64 3hj4 h ARG 279 Ca 0.30 -0.20 0.05 0.00 -1.11 0.00 0.00 59.98 59.02 3hj4 h ARG 279 Cb 0.27 -0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 30.09 3hj4 h ARG 279 CO -0.23 0.78 0.27 0.28 -3.11 0.00 0.00 179.97 177.95 3hj4 h VAL 280 N 0.64 0.93 -0.41 0.20 2.07 -0.63 -1.23 116.25 117.83 3hj4 h VAL 280 Ca 0.14 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3hj4 h VAL 280 Cb 0.37 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3hj4 h VAL 280 CO 0.01 0.09 0.20 0.58 0.02 0.00 0.00 177.57 178.47 3hj4 h VAL 281 N 0.51 1.17 -0.65 2.57 2.07 -0.49 -1.32 116.25 120.11 3hj4 h VAL 281 Ca 0.24 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3hj4 h VAL 281 Cb 0.17 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3hj4 h VAL 281 CO -0.18 0.19 0.32 0.03 0.02 0.00 0.00 177.57 177.95 3hj4 h ARG 282 N 0.52 0.93 -0.43 1.57 3.08 -0.73 0.41 114.38 119.73 3hj4 h ARG 282 Ca 0.14 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hj4 h ARG 282 Cb 0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3hj4 h ARG 282 CO -0.02 0.73 0.21 -0.09 -1.07 0.00 0.00 179.97 179.74 3hj4 h ARG 283 N 0.90 0.61 -0.39 0.04 2.43 -1.12 -1.55 114.38 115.30 3hj4 h ARG 283 Ca 0.22 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3hj4 h ARG 283 Cb 0.10 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3hj4 h ARG 283 CO -0.03 0.52 0.24 1.25 -1.51 0.00 0.00 179.97 180.43 3hj4 h HIS 284 N 0.55 0.51 0.00 2.20 2.76 -0.81 -2.59 115.15 117.77 3hj4 h HIS 284 Ca 0.15 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3hj4 h HIS 284 Cb 0.10 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 3hj4 h HIS 284 CO -0.01 0.36 -0.34 -0.07 -1.30 0.00 0.00 177.93 176.57 3hj4 h LEU 285 N 0.52 0.00 -0.38 0.26 3.38 -0.75 0.02 115.31 118.36 3hj4 h LEU 285 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3hj4 h LEU 285 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hj4 h LEU 285 CO -0.03 0.34 -0.34 -0.33 0.09 0.00 0.00 178.44 178.17 3hj4 h GLU 286 N 0.00 0.89 -0.41 1.13 5.08 -0.96 0.69 114.58 121.01 3hj4 h GLU 286 Ca -0.00 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 3hj4 h GLU 286 Cb 0.69 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3hj4 h GLU 286 CO 0.04 1.11 -0.05 -0.07 -1.00 0.00 0.00 179.01 179.04 3hj4 h LEU 287 N 0.70 0.75 -0.42 1.33 3.38 -1.09 -2.62 115.31 117.35 3hj4 h LEU 287 Ca 0.06 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3hj4 h LEU 287 Cb 0.93 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3hj4 h LEU 287 CO 0.09 0.91 0.17 0.25 0.09 0.00 0.00 178.44 179.95 3hj4 h LEU 288 N 0.58 0.57 -0.51 1.67 5.85 -0.84 -2.42 115.31 120.21 3hj4 h LEU 288 Ca 0.11 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3hj4 h LEU 288 Cb 0.56 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3hj4 h LEU 288 CO 0.03 0.58 0.30 1.23 -0.34 0.00 0.00 178.44 180.25 3hj4 h GLY 289 N 0.53 0.74 0.75 3.75 0.00 -0.82 0.85 103.07 108.87 3hj4 h GLY 289 Ca 0.14 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.19 3hj4 h GLY 289 CO -0.01 0.30 0.10 1.76 0.00 0.00 0.00 176.54 178.69 3hj4 h SER 290 N 0.68 0.11 -0.31 0.19 0.02 -1.32 -0.87 113.55 112.05 3hj4 h SER 290 Ca 0.18 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3hj4 h SER 290 Cb -0.00 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3hj4 h SER 290 CO -0.03 0.10 0.10 -0.09 -1.14 0.00 0.00 176.83 175.76 3hj4 h ARG 291 N 0.23 0.49 -0.62 3.45 9.65 -1.13 -2.48 114.38 123.97 3hj4 h ARG 291 Ca 0.13 -0.11 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 3hj4 h ARG 291 Cb 0.10 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 3hj4 h ARG 291 CO -0.14 0.53 0.37 -0.22 2.80 0.00 0.00 179.97 183.31 3hj4 h LYS 292 N 0.35 0.69 -0.31 0.20 3.64 -0.64 -0.93 116.57 119.57 3hj4 h LYS 292 Ca 0.10 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3hj4 h LYS 292 Cb 0.25 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3hj4 h LYS 292 CO -0.00 0.46 0.12 -0.09 -2.27 0.00 0.00 179.45 177.67 3hj4 h ARG 293 N 0.72 0.46 -0.71 1.90 2.43 -1.10 0.17 114.38 118.26 3hj4 h ARG 293 Ca 0.26 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 3hj4 h ARG 293 Cb 0.06 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 3hj4 h ARG 293 CO -0.12 0.47 0.38 1.25 -1.51 0.00 0.00 179.97 180.44 3hj4 h LEU 294 N 0.35 0.53 -0.46 3.80 6.46 -1.07 -1.36 115.31 123.56 3hj4 h LEU 294 Ca 0.10 0.05 -0.17 0.00 -0.12 0.00 0.00 57.88 57.74 3hj4 h LEU 294 Cb 0.18 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 3hj4 h LEU 294 CO -0.01 0.32 -0.54 -0.33 -0.62 0.00 0.00 178.44 177.27 3hj4 h GLU 295 N 0.67 0.66 -0.56 1.25 4.39 -0.77 -0.75 114.58 119.47 3hj4 h GLU 295 Ca 0.34 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3hj4 h GLU 295 Cb 0.29 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3hj4 h GLU 295 CO -0.23 1.03 0.36 -1.49 -1.16 0.00 0.00 179.01 177.52 3hj4 h TRP 296 N 0.51 0.72 -0.43 4.33 4.06 -0.60 -1.00 115.95 123.54 3hj4 h TRP 296 Ca 0.01 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.93 3hj4 h TRP 296 Cb 1.10 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 29.00 3hj4 h TRP 296 CO 0.05 0.46 0.06 0.93 -3.56 0.00 0.00 178.44 176.39 3hj4 h GLU 297 N 0.76 0.66 -0.55 0.49 4.39 -1.09 -1.16 114.58 118.08 3hj4 h GLU 297 Ca 0.21 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 3hj4 h GLU 297 Cb -0.07 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3hj4 h GLU 297 CO -0.04 0.64 -0.02 0.87 -1.16 0.00 0.00 179.01 179.29 3hj4 h LYS 298 N 0.64 0.98 -0.23 2.33 1.57 -0.71 -0.49 116.57 120.67 3hj4 h LYS 298 Ca 0.14 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3hj4 h LYS 298 Cb 0.31 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hj4 h LYS 298 CO 0.00 1.00 0.13 1.25 -0.57 0.00 0.00 179.45 181.26 3hj4 h HIS 299 N 0.86 0.30 -0.73 -1.35 2.76 -0.89 -2.83 115.15 113.27 3hj4 h HIS 299 Ca 0.15 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3hj4 h HIS 299 Cb 0.57 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 3hj4 h HIS 299 CO 0.04 0.26 0.41 0.82 -1.30 0.00 0.00 177.93 178.15 3hj4 h ILE 300 N 0.26 1.22 -0.23 6.26 2.04 -1.02 -0.41 117.51 125.63 3hj4 h ILE 300 Ca 0.08 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3hj4 h ILE 300 Cb 0.05 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3hj4 h ILE 300 CO -0.01 0.24 0.11 0.00 0.00 0.00 0.00 178.15 178.48 3hj4 h ALA 301 N 1.43 1.76 0.00 1.87 0.00 -0.92 -2.19 119.26 121.21 3hj4 h ALA 301 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hj4 h ALA 301 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hj4 h ALA 301 CO -0.04 0.20 -0.62 0.39 0.00 0.00 0.00 179.25 179.18 3hj4 n GLU 302 N -4.46 0.19 -3.11 0.00 -0.58 -0.62 -4.48 120.64 107.58 3hj4 n GLU 302 Ca 0.00 0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.59 3hj4 n GLU 302 Cb 0.11 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 29.32 3hj4 n GLU 302 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3hj4 n HIS 303 N -1.88 -1.31 0.26 -0.32 8.25 -0.26 -5.00 115.22 114.96 3hj4 n HIS 303 Ca 0.04 -3.00 0.09 0.00 -0.26 0.00 0.00 57.72 54.58 3hj4 n HIS 303 Cb 0.40 0.28 0.66 0.00 1.12 0.00 0.00 29.99 32.45 3hj4 n HIS 303 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3hj4 h LYS 304 N 4.40 0.00 0.00 -0.41 1.57 -1.64 -0.32 116.57 120.17 3hj4 h LYS 304 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3hj4 h LYS 304 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3hj4 h LYS 304 CO 0.38 0.01 0.00 -0.85 -0.57 0.00 0.00 179.45 178.43 3hj4 n GLU 305 N -4.45 0.00 0.00 3.15 0.00 -1.26 -1.03 120.64 117.06 3hj4 n GLU 305 Ca -0.03 0.28 0.14 0.00 0.00 0.00 0.00 57.16 57.55 3hj4 n GLU 305 Cb 0.10 -1.50 0.49 0.00 0.00 0.00 0.00 31.44 30.53 3hj4 n GLU 305 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hj4 n ASP 306 N -1.50 1.38 -3.72 -1.84 8.00 -0.13 -4.94 116.55 113.81 3hj4 n ASP 306 Ca 0.03 -1.35 -0.12 0.00 0.71 0.00 0.00 54.79 54.06 3hj4 n ASP 306 Cb 0.14 0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.31 3hj4 n ASP 306 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hj4 n GLY 307 N 1.22 2.19 3.74 0.44 0.00 -0.19 -4.77 105.19 107.82 3hj4 n GLY 307 Ca 0.17 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 3hj4 n GLY 307 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hj4 s PRO 308 N -3.49 0.25 0.12 1.61 0.04 -1.26 -5.05 135.00 127.22 3hj4 s PRO 308 Ca 0.31 0.10 -0.34 0.00 0.04 0.00 0.00 61.00 61.11 3hj4 s PRO 308 Cb -0.02 -1.75 -0.14 0.00 0.04 0.00 0.00 34.50 32.62 3hj4 s PRO 308 CO 0.20 -2.76 1.56 -0.11 0.04 0.00 0.00 177.00 175.93 3hj4 n LEU 309 N -4.12 2.85 -4.46 -3.56 0.00 -1.26 -4.92 117.00 101.52 3hj4 n LEU 309 Ca 0.10 1.08 -0.44 0.00 0.00 0.00 0.00 56.01 56.75 3hj4 n LEU 309 Cb 0.59 -1.38 -0.06 0.00 0.00 0.00 0.00 43.42 42.58 3hj4 n LEU 309 CO 0.52 -0.41 0.42 -0.62 0.00 0.00 0.00 177.39 177.30 3hj4 s ASP 310 N 1.08 6.24 0.41 1.96 -1.08 -1.26 -4.94 116.67 119.09 3hj4 s ASP 310 Ca 0.81 -0.82 0.09 0.00 -0.52 0.00 0.00 52.55 52.11 3hj4 s ASP 310 Cb -0.73 -2.32 0.87 0.00 -1.46 0.00 0.00 42.92 39.28 3hj4 s ASP 310 CO 0.41 -0.97 2.00 -0.33 0.52 0.00 0.00 175.17 176.79 3hj4 h GLU 311 N 9.07 0.33 -0.13 4.34 4.39 -1.99 -0.68 114.58 129.91 3hj4 h GLU 311 Ca -0.27 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 3hj4 h GLU 311 Cb 1.09 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3hj4 h GLU 311 CO 1.00 0.32 -0.01 -0.91 -1.16 0.00 0.00 179.01 178.25 3hj4 h ASN 312 N 0.32 0.24 -0.78 1.42 2.35 -1.99 -0.11 115.58 117.05 3hj4 h ASN 312 Ca 0.08 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 3hj4 h ASN 312 Cb 0.16 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 3hj4 h ASN 312 CO -0.00 0.52 0.45 0.44 -1.65 0.00 0.00 177.43 177.19 3hj4 h ASP 313 N -0.04 0.95 -0.29 5.81 3.32 -1.84 -0.25 116.42 124.07 3hj4 h ASP 313 Ca 0.04 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3hj4 h ASP 313 Cb 0.41 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3hj4 h ASP 313 CO 0.01 0.75 0.10 0.15 -1.72 0.00 0.00 179.24 178.53 3hj4 h PHE 314 N 1.07 0.46 -0.87 4.55 3.57 -1.01 -0.78 116.94 123.92 3hj4 h PHE 314 Ca 0.28 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.75 3hj4 h PHE 314 Cb -0.01 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 3hj4 h PHE 314 CO -0.00 0.47 0.58 0.66 -2.23 0.00 0.00 178.31 177.78 3hj4 h SER 315 N 0.31 0.99 -0.86 0.41 4.64 -0.74 -2.37 113.55 115.93 3hj4 h SER 315 Ca 0.09 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3hj4 h SER 315 Cb 0.22 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 3hj4 h SER 315 CO -0.00 0.71 0.45 0.00 -0.87 0.00 0.00 176.83 177.12 3hj4 h ALA 316 N 1.32 1.16 0.00 5.18 0.00 -0.69 0.06 119.26 126.31 3hj4 h ALA 316 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hj4 h ALA 316 Cb -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.33 3hj4 h ALA 316 CO -0.08 0.65 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 3hj4 n SER 317 N -4.32 0.46 0.00 0.00 3.41 -0.33 -1.22 113.62 111.62 3hj4 n SER 317 Ca 0.09 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 3hj4 n SER 317 Cb 0.12 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3hj4 n SER 317 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3hj4 n GLN 319 N 0.59 0.00 -0.23 4.33 -0.06 0.01 -1.91 117.38 120.12 3hj4 n GLN 319 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 3hj4 n GLN 319 Cb 0.09 0.00 0.17 0.00 -4.06 0.00 0.00 30.24 26.44 3hj4 n GLN 319 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 3hj4 h ASN 320 N 0.00 0.93 -0.76 1.69 -0.73 -1.42 -0.12 115.58 115.16 3hj4 h ASN 320 Ca 0.00 -0.10 -0.05 0.00 1.87 0.00 0.00 56.30 58.02 3hj4 h ASN 320 Cb 0.00 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 3hj4 h ASN 320 CO 0.00 0.78 0.26 -0.33 -0.37 0.00 0.00 177.43 177.77 3hj4 h GLU 321 N 1.02 1.16 -0.49 6.67 4.39 -1.66 -2.61 114.58 123.07 3hj4 h GLU 321 Ca 0.25 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3hj4 h GLU 321 Cb 0.09 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3hj4 h GLU 321 CO -0.03 0.97 0.11 1.15 -1.16 0.00 0.00 179.01 180.05 3hj4 h THR 322 N 1.12 1.24 0.00 1.13 2.02 -1.70 -2.96 112.91 113.75 3hj4 h THR 322 Ca 0.25 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3hj4 h THR 322 Cb 0.27 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3hj4 h THR 322 CO -0.01 0.31 0.00 0.71 0.37 0.00 0.00 175.52 176.89 3hj4 h THR 323 N 0.68 0.00 0.00 3.16 1.35 -0.86 -1.30 112.91 115.93 3hj4 h THR 323 Ca 0.15 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3hj4 h THR 323 Cb 0.34 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3hj4 h THR 323 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3hj4 n GLN 324 N -2.57 0.03 -2.40 4.72 6.02 -1.00 -4.26 117.38 117.92 3hj4 n GLN 324 Ca 0.02 0.04 -0.16 0.00 -0.01 0.00 0.00 57.00 56.89 3hj4 n GLN 324 Cb 0.27 -1.54 0.03 0.00 1.02 0.00 0.00 30.24 30.02 3hj4 n GLN 324 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hj4 n ARG 325 N -1.59 2.76 -2.26 -1.09 1.74 -0.49 -1.14 116.66 114.60 3hj4 n ARG 325 Ca 0.07 -3.92 -0.39 0.00 -0.77 0.00 0.00 57.85 52.83 3hj4 n ARG 325 Cb 0.34 -1.96 -0.02 0.00 -1.02 0.00 0.00 32.46 29.80 3hj4 n ARG 325 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hj4 s PRO 326 N -3.61 4.24 0.00 5.56 0.04 -1.24 -4.88 135.00 135.11 3hj4 s PRO 326 Ca 0.41 1.96 0.24 0.00 0.04 0.00 0.00 61.00 63.65 3hj4 s PRO 326 Cb 0.39 -2.88 0.29 0.00 0.04 0.00 0.00 34.50 32.33 3hj4 s PRO 326 CO -0.02 -0.20 1.32 -1.13 0.04 0.00 0.00 177.00 177.01 3hj4 n SER 327 N 0.48 3.10 -0.16 6.66 3.41 -1.26 -4.38 113.62 121.47 3hj4 n SER 327 Ca 0.02 -1.98 0.02 0.00 -0.26 0.00 0.00 58.87 56.66 3hj4 n SER 327 Cb 0.45 -0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.36 3hj4 n SER 327 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hj4 n ASN 328 N 1.36 2.24 -4.79 4.04 6.94 -1.26 -4.87 115.26 118.92 3hj4 n ASN 328 Ca 0.16 -2.04 -0.30 0.00 -0.02 0.00 0.00 54.58 52.38 3hj4 n ASN 328 Cb 0.60 -0.07 0.10 0.00 -2.36 0.00 0.00 39.78 38.04 3hj4 n ASN 328 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3hj4 s SER 329 N -1.06 4.33 0.27 0.53 1.04 -1.26 -4.95 113.70 112.60 3hj4 s SER 329 Ca 0.07 1.33 -0.01 0.00 0.48 0.00 0.00 55.95 57.82 3hj4 s SER 329 Cb 0.04 -2.06 0.59 0.00 0.10 0.00 0.00 66.02 64.69 3hj4 s SER 329 CO 0.04 -2.07 1.70 -0.65 0.98 0.00 0.00 173.24 173.23 3hj4 h PRO 330 N -1.16 0.35 -5.53 4.02 0.11 -1.89 -3.39 132.00 124.50 3hj4 h PRO 330 Ca -0.47 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.07 3hj4 h PRO 330 Cb 1.27 -0.08 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 3hj4 h PRO 330 CO 0.58 0.23 -0.83 0.71 -0.21 0.00 0.00 178.00 178.48 3hj4 s TYR 331 N -5.97 1.60 -0.30 0.65 2.02 -1.26 -4.93 117.35 109.16 3hj4 s TYR 331 Ca -0.12 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 3hj4 s TYR 331 Cb 0.23 -1.05 0.05 0.00 -0.40 0.00 0.00 41.96 40.80 3hj4 s TYR 331 CO 0.77 -0.07 0.00 0.08 -1.57 0.00 0.00 175.55 174.76 3hj4 s VAL 332 N -0.26 2.93 -0.20 0.71 1.01 -1.26 -4.13 120.40 119.19 3hj4 s VAL 332 Ca 0.03 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.58 3hj4 s VAL 332 Cb -0.08 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.62 3hj4 s VAL 332 CO 0.00 -0.14 -0.15 -0.69 0.00 0.00 0.00 175.10 174.13 3hj4 s VAL 333 N 1.23 1.93 -0.20 2.92 1.01 -1.26 -0.89 120.40 125.14 3hj4 s VAL 333 Ca -0.05 -1.10 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 3hj4 s VAL 333 Cb -0.20 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3hj4 s VAL 333 CO -0.02 0.30 0.70 -0.70 0.00 0.00 0.00 175.10 175.39 3hj4 s GLU 334 N 1.29 4.22 -0.25 2.72 2.12 0.40 -0.60 118.70 128.60 3hj4 s GLU 334 Ca 0.00 0.75 -0.29 0.00 0.36 0.00 0.00 54.97 55.79 3hj4 s GLU 334 Cb -0.15 -3.59 -0.00 0.00 0.26 0.00 0.00 34.13 30.64 3hj4 s GLU 334 CO -0.10 -0.31 1.22 0.34 -0.54 0.00 0.00 175.26 175.88 3hj4 s ASP 335 N 1.23 6.86 0.27 -1.70 -1.08 -0.08 -4.66 116.67 117.51 3hj4 s ASP 335 Ca 0.32 1.37 0.23 0.00 -0.52 0.00 0.00 52.55 53.95 3hj4 s ASP 335 Cb -0.16 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.77 3hj4 s ASP 335 CO 0.10 -0.89 1.70 2.22 0.52 0.00 0.00 175.17 178.83 3hj4 n PHE 336 N 7.00 0.80 0.94 -5.34 -1.74 -1.26 -0.10 117.46 117.76 3hj4 n PHE 336 Ca 0.14 0.33 0.11 0.00 -0.56 0.00 0.00 57.45 57.47 3hj4 n PHE 336 Cb 0.46 -1.03 0.11 0.00 1.52 0.00 0.00 39.48 40.54 3hj4 n PHE 336 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 3hj4 n VAL 337 N -2.25 0.02 -1.81 1.97 0.24 -1.26 -1.55 118.33 113.69 3hj4 n VAL 337 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3hj4 n VAL 337 Cb 0.20 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 3hj4 n VAL 337 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3hj4 n ASN 338 N -1.56 0.00 -0.61 -1.34 0.23 -1.08 -4.69 115.26 106.21 3hj4 n ASN 338 Ca 0.05 -1.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.02 3hj4 n ASN 338 Cb 0.35 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.01 3hj4 n ASN 338 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3hj4 n TYR 339 N 0.00 0.00 -1.91 -2.53 4.01 0.86 -4.97 117.16 112.61 3hj4 n TYR 339 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 3hj4 n TYR 339 Cb 0.36 -2.37 -0.01 0.00 -0.31 0.00 0.00 39.34 37.02 3hj4 n TYR 339 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hj4 s VAL 340 N -1.78 2.29 -0.78 -0.72 1.01 -1.25 -4.69 120.40 114.48 3hj4 s VAL 340 Ca 0.00 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.04 3hj4 s VAL 340 Cb 0.00 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.28 3hj4 s VAL 340 CO 0.00 0.06 1.11 0.21 0.00 0.00 0.00 175.10 176.49 3hj4 s ASN 341 N -0.33 6.31 0.22 3.32 2.47 -0.29 -0.90 114.94 125.74 3hj4 s ASN 341 Ca 0.53 -1.19 0.23 0.00 0.42 0.00 0.00 52.86 52.85 3hj4 s ASN 341 Cb -0.44 -2.46 0.93 0.00 -1.45 0.00 0.00 41.25 37.84 3hj4 s ASN 341 CO 0.58 -1.44 1.70 0.00 -3.72 0.00 0.00 177.10 174.23 3hj4 n GLY 343 N 0.20 1.38 0.25 0.00 0.00 -1.25 -4.63 105.19 101.14 3hj4 n GLY 343 Ca 0.03 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.55 3hj4 n GLY 343 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hj4 h ARG 344 N 3.48 0.00 -0.00 1.61 0.11 -1.63 -2.60 114.38 115.36 3hj4 h ARG 344 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hj4 h ARG 344 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 3hj4 h ARG 344 CO 0.00 0.14 -0.11 0.54 0.10 0.00 0.00 179.97 180.65 3hj4 n ARG 345 N -3.67 0.07 -2.13 0.08 1.74 -1.26 -4.81 116.66 106.67 3hj4 n ARG 345 Ca -0.02 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.63 3hj4 n ARG 345 Cb 0.26 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 3hj4 n ARG 345 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hj4 s VAL 346 N -2.94 3.60 0.33 1.55 1.01 -0.98 -4.86 120.40 118.12 3hj4 s VAL 346 Ca 0.15 0.93 -0.19 0.00 0.00 0.00 0.00 61.98 62.87 3hj4 s VAL 346 Cb 0.19 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 3hj4 s VAL 346 CO 0.56 -0.03 0.82 -1.10 0.00 0.00 0.00 175.10 175.34 3hj4 s GLN 347 N 2.91 4.18 0.44 2.72 -0.21 -1.12 -4.54 119.66 124.05 3hj4 s GLN 347 Ca 0.67 0.91 0.12 0.00 0.02 0.00 0.00 55.36 57.08 3hj4 s GLN 347 Cb -0.33 -2.49 1.02 0.00 1.00 0.00 0.00 33.01 32.21 3hj4 s GLN 347 CO 0.27 0.17 2.03 0.00 -2.12 0.00 0.00 175.29 175.64 3hj4 h ALA 348 N 2.49 1.94 0.00 6.09 0.00 -1.93 -0.87 119.26 126.98 3hj4 h ALA 348 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3hj4 h ALA 348 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hj4 h ALA 348 CO 0.64 -0.02 0.00 0.66 0.00 0.00 0.00 179.25 180.53 3hj4 h SER 349 N 0.39 0.00 0.04 0.00 4.64 -1.97 -2.80 113.55 113.84 3hj4 h SER 349 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3hj4 h SER 349 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hj4 h SER 349 CO -0.05 0.00 -0.38 0.54 -0.87 0.00 0.00 176.83 176.07 3hj4 n ARG 350 N -2.59 1.22 -0.20 4.77 5.12 -0.33 -4.49 116.66 120.15 3hj4 n ARG 350 Ca 0.00 -0.95 -0.08 0.00 -1.93 0.00 0.00 57.85 54.89 3hj4 n ARG 350 Cb 0.20 -1.48 0.02 0.00 -1.16 0.00 0.00 32.46 30.04 3hj4 n ARG 350 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3hj4 h VAL 351 N 2.33 1.23 -0.55 1.55 2.07 -1.51 -2.42 116.25 118.94 3hj4 h VAL 351 Ca 0.00 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 66.90 3hj4 h VAL 351 Cb 0.71 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3hj4 h VAL 351 CO 0.00 0.27 0.16 -0.09 0.02 0.00 0.00 177.57 177.93 3hj4 h ARG 352 N 0.80 0.31 -0.02 1.57 2.43 -1.79 0.22 114.38 117.90 3hj4 h ARG 352 Ca 0.19 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 3hj4 h ARG 352 Cb 0.21 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3hj4 h ARG 352 CO -0.02 0.20 -0.08 1.25 -1.51 0.00 0.00 179.97 179.82 3hj4 h HIS 353 N 0.31 -0.20 0.08 2.20 2.76 -1.76 -1.03 115.15 117.52 3hj4 h HIS 353 Ca 0.27 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.45 3hj4 h HIS 353 Cb 0.35 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 3hj4 h HIS 353 CO -0.20 -0.12 -0.04 0.82 -1.30 0.00 0.00 177.93 177.08 3hj4 h ILE 354 N -0.13 0.91 -0.70 6.26 2.04 -0.97 -0.29 117.51 124.63 3hj4 h ILE 354 Ca 0.04 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 3hj4 h ILE 354 Cb 0.18 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3hj4 h ILE 354 CO -0.09 0.00 0.16 1.56 0.00 0.00 0.00 178.15 179.78 3hj4 h GLN 355 N -0.12 1.12 -0.20 2.37 1.08 -0.89 -1.23 115.11 117.25 3hj4 h GLN 355 Ca -0.01 -0.27 -0.11 0.00 -1.45 0.00 0.00 58.65 56.81 3hj4 h GLN 355 Cb 0.09 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3hj4 h GLN 355 CO 0.01 0.99 -0.34 0.37 -0.95 0.00 0.00 178.83 178.91 3hj4 h GLN 356 N 1.06 0.42 -0.50 1.46 5.75 -1.03 -0.26 115.11 122.02 3hj4 h GLN 356 Ca 0.22 -0.19 -0.09 0.00 -0.15 0.00 0.00 58.65 58.44 3hj4 h GLN 356 Cb 0.38 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 3hj4 h GLN 356 CO 0.00 0.72 -0.04 0.93 -2.65 0.00 0.00 178.83 177.78 3hj4 h GLU 357 N 0.36 0.87 -0.57 1.69 4.39 -0.56 -0.30 114.58 120.45 3hj4 h GLU 357 Ca 0.04 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 3hj4 h GLU 357 Cb 0.78 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 3hj4 h GLU 357 CO 0.06 0.89 0.27 0.74 -1.16 0.00 0.00 179.01 179.82 3hj4 h PHE 358 N 0.79 0.83 -0.69 4.33 0.04 -0.87 -0.60 116.94 120.78 3hj4 h PHE 358 Ca 0.14 -0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.92 3hj4 h PHE 358 Cb 0.54 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 3hj4 h PHE 358 CO 0.03 0.64 0.40 -0.91 -0.60 0.00 0.00 178.31 177.87 3hj4 h ASN 359 N 0.78 0.62 0.02 2.17 2.35 -0.77 0.14 115.58 120.89 3hj4 h ASN 359 Ca 0.20 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3hj4 h ASN 359 Cb 0.12 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3hj4 h ASN 359 CO -0.02 0.41 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.06 3hj4 h ARG 360 N 0.75 -0.03 -0.40 0.81 2.43 -0.81 -1.10 114.38 116.04 3hj4 h ARG 360 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3hj4 h ARG 360 Cb 0.14 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3hj4 h ARG 360 CO -0.16 0.07 0.26 1.25 -1.51 0.00 0.00 179.97 179.88 3hj4 h LEU 361 N -0.12 0.45 -0.34 3.80 5.85 -0.86 -2.69 115.31 121.42 3hj4 h LEU 361 Ca -0.00 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3hj4 h LEU 361 Cb 0.11 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3hj4 h LEU 361 CO 0.00 0.33 0.09 -0.09 -0.34 0.00 0.00 178.44 178.43 3hj4 h ARG 362 N 0.54 0.22 -0.07 1.25 2.43 -0.88 -0.83 114.38 117.03 3hj4 h ARG 362 Ca 0.15 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3hj4 h ARG 362 Cb -0.06 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3hj4 h ARG 362 CO -0.03 0.14 0.00 -1.91 -1.51 0.00 0.00 179.97 176.66 3hj4 n GLU 363 N -5.06 0.08 0.00 0.20 2.13 -0.42 -1.13 120.64 116.44 3hj4 n GLU 363 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3hj4 n GLU 363 Cb 0.14 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 30.81 3hj4 n GLU 363 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hj4 n LEU 365 N 0.34 0.00 -0.02 4.31 4.77 -0.32 -0.96 117.00 125.13 3hj4 n LEU 365 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3hj4 n LEU 365 Cb 0.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3hj4 n LEU 365 CO 0.00 0.00 -0.25 -0.38 -1.33 0.00 0.00 177.39 175.43 3hj4 n ILE 366 N 0.00 0.95 -0.17 -0.08 5.41 -0.28 -4.29 119.36 120.90 3hj4 n ILE 366 Ca 0.00 0.27 -0.09 0.00 1.00 0.00 0.00 62.75 63.93 3hj4 n ILE 366 Cb 0.00 -1.77 0.01 0.00 -0.71 0.00 0.00 39.64 37.17 3hj4 n ILE 366 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hj4 h ASP 367 N -0.37 0.73 -0.79 4.38 3.32 -1.49 -3.10 116.42 119.11 3hj4 h ASP 367 Ca 0.00 -0.22 -0.43 0.00 0.02 0.00 0.00 57.03 56.40 3hj4 h ASP 367 Cb 0.37 -0.19 -0.25 0.00 0.22 0.00 0.00 39.33 39.48 3hj4 h ASP 367 CO 0.00 0.76 0.39 0.29 -1.72 0.00 0.00 179.24 178.96 3hj4 n LYS 368 N -4.49 2.21 -0.29 3.56 4.76 -0.14 -4.70 118.16 119.08 3hj4 n LYS 368 Ca 0.01 -3.14 0.16 0.00 -2.87 0.00 0.00 58.31 52.46 3hj4 n LYS 368 Cb 0.21 -2.08 0.42 0.00 -1.84 0.00 0.00 35.03 31.74 3hj4 n LYS 368 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3hj4 h GLU 369 N 1.15 0.57 0.00 1.97 4.81 -1.72 0.55 114.58 121.91 3hj4 h GLU 369 Ca 0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 3hj4 h GLU 369 Cb 2.21 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.47 3hj4 h GLU 369 CO 0.92 0.38 0.00 0.66 -0.73 0.00 0.00 179.01 180.24 3hj4 h SER 370 N 0.59 0.00 -0.20 1.04 4.64 -1.88 -2.92 113.55 114.81 3hj4 h SER 370 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3hj4 h SER 370 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3hj4 h SER 370 CO -0.25 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.09 3hj4 n GLU 371 N -2.69 2.61 -1.73 4.77 1.02 0.18 -4.52 120.64 120.28 3hj4 n GLU 371 Ca 0.00 -2.48 -0.42 0.00 -0.02 0.00 0.00 57.16 54.23 3hj4 n GLU 371 Cb 0.20 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 3hj4 n GLU 371 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hj4 n LEU 372 N -0.46 4.12 -3.73 -4.62 4.77 -1.10 -5.02 117.00 110.96 3hj4 n LEU 372 Ca 0.16 1.15 -0.23 0.00 -0.03 0.00 0.00 56.01 57.06 3hj4 n LEU 372 Cb 0.68 -1.56 -0.17 0.00 -2.33 0.00 0.00 43.42 40.03 3hj4 n LEU 372 CO 0.09 0.00 -0.37 -0.54 -1.33 0.00 0.00 177.39 175.25 3hj4 s LYS 373 N -0.65 0.41 0.22 3.23 1.02 -1.26 -4.72 119.74 117.99 3hj4 s LYS 373 Ca 0.64 0.09 -0.09 0.00 0.02 0.00 0.00 55.97 56.63 3hj4 s LYS 373 Cb -0.53 -1.07 0.32 0.00 -0.52 0.00 0.00 37.83 36.03 3hj4 s LYS 373 CO 0.50 -0.38 1.70 0.35 -0.92 0.00 0.00 175.35 176.60 3hj4 h PHE 374 N 8.35 0.19 0.00 3.18 3.57 -1.91 -1.16 116.94 129.15 3hj4 h PHE 374 Ca -0.17 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3hj4 h PHE 374 Cb 1.13 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.88 3hj4 h PHE 374 CO 0.43 -0.05 0.00 -0.44 -2.23 0.00 0.00 178.31 176.02 3hj4 h ASP 375 N 0.25 0.00 0.02 0.41 5.19 -1.97 -2.16 116.42 118.16 3hj4 h ASP 375 Ca 0.33 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.49 3hj4 h ASP 375 Cb 0.51 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 3hj4 h ASP 375 CO -0.43 0.00 -1.39 -0.62 -3.12 0.00 0.00 179.24 173.68 3hj4 n GLU 376 N -2.73 0.59 -0.18 3.56 -0.58 -0.51 -3.11 120.64 117.68 3hj4 n GLU 376 Ca -0.00 0.53 -0.02 0.00 -0.42 0.00 0.00 57.16 57.25 3hj4 n GLU 376 Cb 0.17 -1.74 0.08 0.00 -0.57 0.00 0.00 31.44 29.39 3hj4 n GLU 376 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hj4 h VAL 377 N -0.87 0.79 -0.48 2.62 2.07 -1.25 -2.19 116.25 116.94 3hj4 h VAL 377 Ca -0.37 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hj4 h VAL 377 Cb 1.40 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3hj4 h VAL 377 CO -0.18 0.07 0.00 0.49 0.02 0.00 0.00 177.57 177.96 3hj4 n PHE 378 N -5.02 1.24 -1.68 1.57 3.01 -0.82 -4.95 117.46 110.81 3hj4 n PHE 378 Ca 0.07 -0.47 -0.45 0.00 1.01 0.00 0.00 57.45 57.61 3hj4 n PHE 378 Cb 0.23 -0.25 -0.04 0.00 -0.01 0.00 0.00 39.48 39.42 3hj4 n PHE 378 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3hj4 n ARG 379 N 0.72 2.49 -1.84 -1.08 0.63 -0.83 -4.88 116.66 111.89 3hj4 n ARG 379 Ca 0.20 0.91 -0.42 0.00 -0.92 0.00 0.00 57.85 57.62 3hj4 n ARG 379 Cb 0.77 -2.76 -0.03 0.00 0.45 0.00 0.00 32.46 30.89 3hj4 n ARG 379 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3hj4 s GLU 380 N 2.47 4.17 0.49 -0.14 2.12 -1.26 -4.59 118.70 121.96 3hj4 s GLU 380 Ca 0.83 2.48 -0.23 0.00 0.36 0.00 0.00 54.97 58.41 3hj4 s GLU 380 Cb -0.58 -3.11 -0.07 0.00 0.26 0.00 0.00 34.13 30.63 3hj4 s GLU 380 CO 0.40 -0.66 1.33 0.45 -0.54 0.00 0.00 175.26 176.24 3hj4 n SER 381 N 3.71 2.71 0.04 -1.70 2.88 -0.16 -4.87 113.62 116.23 3hj4 n SER 381 Ca 0.14 1.04 0.18 0.00 -1.33 0.00 0.00 58.87 58.90 3hj4 n SER 381 Cb 0.37 -1.55 0.68 0.00 -0.75 0.00 0.00 64.21 62.96 3hj4 n SER 381 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3hj4 h ASP 382 N 1.78 0.00 0.00 -3.46 1.82 -1.91 -3.50 116.42 111.15 3hj4 h ASP 382 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 3hj4 h ASP 382 Cb 1.30 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 3hj4 h ASP 382 CO 0.58 0.00 0.00 0.41 -1.61 0.00 0.00 179.24 178.63