#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu7 s ASP 3 N 0.00 2.70 0.42 1.96 1.47 -1.26 -5.05 116.67 116.92 1pu7 s ASP 3 Ca 0.00 -1.71 0.27 0.00 1.18 0.00 0.00 52.55 52.29 1pu7 s ASP 3 Cb 0.00 0.55 0.85 0.00 -0.34 0.00 0.00 42.92 43.98 1pu7 s ASP 3 CO 0.00 -0.97 1.78 0.77 0.68 0.00 0.00 175.17 177.43 1pu7 h SER 4 N 1.80 0.00 -0.15 2.11 4.64 -1.86 -2.42 113.55 117.67 1pu7 h SER 4 Ca -0.34 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.84 1pu7 h SER 4 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1pu7 h SER 4 CO 0.53 0.00 -0.47 0.15 -0.87 0.00 0.00 176.83 176.17 1pu7 h PHE 5 N 0.00 0.77 -0.87 4.77 -0.00 -1.89 0.97 116.94 120.69 1pu7 h PHE 5 Ca 0.00 -0.31 0.04 0.00 -0.00 0.00 0.00 57.97 57.70 1pu7 h PHE 5 Cb 0.71 -0.13 -0.05 0.00 -0.00 0.00 0.00 35.95 36.48 1pu7 h PHE 5 CO 0.00 1.08 0.56 0.93 -0.00 0.00 0.00 178.31 180.88 1pu7 h GLU 6 N 0.24 1.05 -0.36 1.11 4.39 -1.82 -1.65 114.58 117.52 1pu7 h GLU 6 Ca -0.02 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1pu7 h GLU 6 Cb 1.09 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1pu7 h GLU 6 CO 0.10 0.69 0.17 0.82 -1.16 0.00 0.00 179.01 179.63 1pu7 h ILE 7 N 1.08 1.17 -0.16 3.13 2.04 -1.35 -2.10 117.51 121.32 1pu7 h ILE 7 Ca 0.35 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.75 1pu7 h ILE 7 Cb 0.02 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1pu7 h ILE 7 CO -0.12 0.18 -0.12 0.25 0.00 0.00 0.00 178.15 178.34 1pu7 h LEU 8 N 0.45 -0.39 -0.33 1.44 5.85 -0.45 0.19 115.31 122.06 1pu7 h LEU 8 Ca 0.12 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1pu7 h LEU 8 Cb 0.13 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1pu7 h LEU 8 CO -0.01 -0.16 0.15 0.11 -0.34 0.00 0.00 178.44 178.19 1pu7 h LYS 9 N -0.13 0.31 -0.84 1.25 1.57 -1.24 0.30 116.57 117.79 1pu7 h LYS 9 Ca 0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1pu7 h LYS 9 Cb 0.28 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1pu7 h LYS 9 CO -0.24 0.21 0.41 0.00 -0.57 0.00 0.00 179.45 179.26 1pu7 h ALA 10 N 1.18 1.09 -0.44 3.86 0.00 -0.99 -1.22 119.26 122.74 1pu7 h ALA 10 Ca 0.14 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1pu7 h ALA 10 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1pu7 h ALA 10 CO -0.11 0.65 -0.16 -0.07 0.00 0.00 0.00 179.25 179.55 1pu7 h LEU 11 N 1.20 0.90 -1.05 0.00 3.38 -0.23 -3.01 115.31 116.50 1pu7 h LEU 11 Ca 0.29 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1pu7 h LEU 11 Cb 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1pu7 h LEU 11 CO -0.04 1.08 0.52 0.50 0.09 0.00 0.00 178.44 180.60 1pu7 h LYS 12 N 0.71 1.17 0.00 1.13 3.64 -0.10 -2.23 116.57 120.90 1pu7 h LYS 12 Ca 0.10 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pu7 h LYS 12 Cb 0.72 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1pu7 h LYS 12 CO 0.05 0.82 0.00 -1.13 -2.27 0.00 0.00 179.45 176.92 1pu7 n SER 13 N -4.37 0.43 0.08 4.20 3.41 -0.49 -2.35 113.62 114.54 1pu7 n SER 13 Ca 0.09 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 1pu7 n SER 13 Cb 0.06 -0.73 0.17 0.00 -0.26 0.00 0.00 64.21 63.45 1pu7 n SER 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1pu7 h LEU 14 N 0.00 0.00 -1.07 1.04 3.38 -1.45 -3.48 115.31 113.72 1pu7 h LEU 14 Ca 0.00 -0.14 -0.37 0.00 0.09 0.00 0.00 57.88 57.45 1pu7 h LEU 14 Cb 0.15 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.04 1pu7 h LEU 14 CO 0.00 0.07 -0.69 0.47 0.09 0.00 0.00 178.44 178.38 1pu7 n ASP 15 N -2.28 -5.15 0.21 -0.43 8.00 -0.99 -4.88 116.55 111.03 1pu7 n ASP 15 Ca 0.03 -0.55 0.15 0.00 0.71 0.00 0.00 54.79 55.13 1pu7 n ASP 15 Cb 0.46 -4.99 0.68 0.00 -0.02 0.00 0.00 41.12 37.25 1pu7 n ASP 15 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1pu7 h LEU 16 N -2.45 0.00 -3.01 0.64 3.38 -1.84 -2.78 115.31 109.25 1pu7 h LEU 16 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1pu7 h LEU 16 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1pu7 h LEU 16 CO 0.53 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.24 1pu7 n LEU 17 N -2.59 3.55 -0.31 1.67 4.77 -1.26 -4.70 117.00 118.13 1pu7 n LEU 17 Ca 0.00 -2.31 0.16 0.00 -0.03 0.00 0.00 56.01 53.83 1pu7 n LEU 17 Cb 0.18 -0.39 0.34 0.00 -2.33 0.00 0.00 43.42 41.23 1pu7 n LEU 17 CO 0.19 0.75 0.96 0.11 -1.33 0.00 0.00 177.39 178.07 1pu7 h LYS 18 N 2.51 0.17 -0.30 3.23 1.79 -1.88 0.18 116.57 122.26 1pu7 h LYS 18 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1pu7 h LYS 18 Cb 1.04 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1pu7 h LYS 18 CO 0.09 0.11 0.00 0.09 -1.08 0.00 0.00 179.45 178.66 1pu7 n ASN 19 N -5.25 3.29 -4.91 0.86 3.02 -1.26 -5.00 115.26 106.02 1pu7 n ASN 19 Ca 0.25 -1.97 -0.27 0.00 -0.03 0.00 0.00 54.58 52.55 1pu7 n ASN 19 Cb 0.79 -0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1pu7 n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pu7 s ALA 20 N -1.54 3.43 1.06 5.41 0.00 0.62 -5.09 121.76 125.64 1pu7 s ALA 20 Ca 0.35 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 1pu7 s ALA 20 Cb 0.21 -2.55 0.22 0.00 0.00 0.00 0.00 23.12 21.00 1pu7 s ALA 20 CO 0.30 -0.29 1.10 -1.25 0.00 0.00 0.00 175.76 175.62 1pu7 s PRO 21 N -4.62 -0.03 0.32 0.00 0.04 -1.26 -4.89 135.00 124.55 1pu7 s PRO 21 Ca 0.47 0.34 0.02 0.00 0.04 0.00 0.00 61.00 61.87 1pu7 s PRO 21 Cb -0.10 -1.70 0.60 0.00 0.04 0.00 0.00 34.50 33.33 1pu7 s PRO 21 CO 0.43 -3.00 1.92 0.00 0.04 0.00 0.00 177.00 176.39 1pu7 h ALA 22 N -2.08 1.57 -0.51 8.56 0.00 -1.97 -1.06 119.26 123.77 1pu7 h ALA 22 Ca -0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1pu7 h ALA 22 Cb 1.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pu7 h ALA 22 CO 0.52 0.29 0.00 0.91 0.00 0.00 0.00 179.25 180.97 1pu7 n TRP 23 N -4.49 1.37 0.00 0.00 7.02 -1.26 -4.83 117.44 115.25 1pu7 n TRP 23 Ca 0.13 -0.68 0.00 0.00 -1.02 0.00 0.00 57.50 55.93 1pu7 n TRP 23 Cb 0.22 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 28.82 1pu7 n TRP 23 CO 0.00 0.00 0.00 1.87 -2.02 0.00 0.00 177.69 177.54 1pu7 n TRP 24 N 0.59 0.00 -1.81 -5.99 -0.00 -0.40 -4.57 117.44 105.26 1pu7 n TRP 24 Ca 0.24 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.32 1pu7 n TRP 24 Cb 0.90 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 32.18 1pu7 n TRP 24 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 177.69 177.23 1pu7 s TRP 25 N 0.00 2.03 0.28 5.87 -0.11 -1.26 -4.38 118.94 121.36 1pu7 s TRP 25 Ca 0.00 0.02 -0.30 0.00 1.22 0.00 0.00 56.10 57.04 1pu7 s TRP 25 Cb 0.00 -4.09 -0.11 0.00 -1.50 0.00 0.00 33.47 27.76 1pu7 s TRP 25 CO 0.00 -4.57 1.62 -2.14 -4.62 0.00 0.00 176.95 167.25 1pu7 s PRO 26 N 3.24 4.12 -1.38 5.86 0.02 -1.26 -2.44 135.00 143.15 1pu7 s PRO 26 Ca 0.79 2.59 -0.09 0.00 0.02 0.00 0.00 61.00 64.32 1pu7 s PRO 26 Cb -0.42 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.10 1pu7 s PRO 26 CO 0.35 -0.66 1.10 0.09 -0.33 0.00 0.00 177.00 177.55 1pu7 n ASN 27 N 2.52 -5.36 -4.63 2.53 5.03 -1.26 -4.69 115.26 109.40 1pu7 n ASN 27 Ca 0.10 -0.61 -0.35 0.00 0.87 0.00 0.00 54.58 54.58 1pu7 n ASN 27 Cb 0.37 -4.75 0.09 0.00 -1.02 0.00 0.00 39.78 34.47 1pu7 n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pu7 n ALA 28 N -4.82 -0.21 -1.18 5.41 0.00 -1.02 -3.33 120.51 115.36 1pu7 n ALA 28 Ca -0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1pu7 n ALA 28 Cb 0.57 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 1pu7 n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pu7 n LEU 29 N -1.90 -0.38 -4.32 0.00 4.77 0.95 -4.97 117.00 111.15 1pu7 n LEU 29 Ca 0.13 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 56.10 1pu7 n LEU 29 Cb 0.50 -1.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 1pu7 n LEU 29 CO 0.49 -0.42 -0.36 -0.54 -1.33 0.00 0.00 177.39 175.23 1pu7 s LYS 30 N -2.27 1.30 0.36 3.23 1.02 -1.21 -4.94 119.74 117.22 1pu7 s LYS 30 Ca 0.00 -1.63 0.10 0.00 0.02 0.00 0.00 55.97 54.46 1pu7 s LYS 30 Cb 0.00 -0.72 0.85 0.00 -0.52 0.00 0.00 37.83 37.45 1pu7 s LYS 30 CO 0.00 -0.02 1.85 0.35 -0.92 0.00 0.00 175.35 176.61 1pu7 h PHE 31 N 2.53 0.81 -0.59 3.18 -0.00 -1.92 -0.88 116.94 120.07 1pu7 h PHE 31 Ca -0.38 0.02 0.07 0.00 -0.00 0.00 0.00 57.97 57.68 1pu7 h PHE 31 Cb 1.22 -0.25 -0.04 0.00 -0.00 0.00 0.00 35.95 36.88 1pu7 h PHE 31 CO 0.62 0.26 0.39 1.49 -0.00 0.00 0.00 178.31 181.07 1pu7 h GLU 32 N 0.65 0.52 -0.42 1.11 4.81 -1.97 -0.93 114.58 118.35 1pu7 h GLU 32 Ca 0.48 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.63 1pu7 h GLU 32 Cb 0.85 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1pu7 h GLU 32 CO -0.23 0.34 0.08 0.00 -0.73 0.00 0.00 179.01 178.48 1pu7 h ALA 33 N 1.68 0.56 -0.42 2.92 0.00 -1.24 -0.00 119.26 122.76 1pu7 h ALA 33 Ca 0.26 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1pu7 h ALA 33 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1pu7 h ALA 33 CO -0.08 0.26 0.22 1.25 0.00 0.00 0.00 179.25 180.90 1pu7 h LEU 34 N 0.55 0.32 -0.58 0.00 6.46 -1.31 0.82 115.31 121.58 1pu7 h LEU 34 Ca 0.13 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1pu7 h LEU 34 Cb 0.35 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 1pu7 h LEU 34 CO 0.01 0.23 0.32 -0.07 -0.62 0.00 0.00 178.44 178.31 1pu7 h LEU 35 N 0.44 0.49 -0.99 2.25 3.38 -0.89 -2.52 115.31 117.46 1pu7 h LEU 35 Ca 0.18 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1pu7 h LEU 35 Cb 0.07 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1pu7 h LEU 35 CO -0.12 0.34 0.17 1.23 0.09 0.00 0.00 178.44 180.15 1pu7 h GLY 36 N 0.62 0.97 1.66 0.83 0.00 -0.62 -1.23 103.07 105.30 1pu7 h GLY 36 Ca 0.25 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1pu7 h GLY 36 CO -0.14 0.52 0.01 0.00 0.00 0.00 0.00 176.54 176.92 1pu7 h ALA 37 N 1.31 1.48 0.06 3.60 0.00 -0.43 -0.26 119.26 125.02 1pu7 h ALA 37 Ca 0.19 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1pu7 h ALA 37 Cb 0.27 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pu7 h ALA 37 CO -0.01 0.37 -0.44 0.28 0.00 0.00 0.00 179.25 179.46 1pu7 h VAL 38 N 0.42 1.59 0.00 0.00 2.07 -1.16 -3.35 116.25 115.82 1pu7 h VAL 38 Ca 0.10 -2.30 -0.05 0.00 0.82 0.00 0.00 66.70 65.26 1pu7 h VAL 38 Cb 0.27 3.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 1pu7 h VAL 38 CO 0.01 0.63 -0.25 -0.07 0.02 0.00 0.00 177.57 177.91 1pu7 h LEU 39 N -0.55 0.00 -0.37 2.57 3.38 -1.02 -3.07 115.31 116.25 1pu7 h LEU 39 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pu7 h LEU 39 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1pu7 h LEU 39 CO 0.08 0.25 0.00 1.07 0.09 0.00 0.00 178.44 179.94 1pu7 n THR 40 N -3.75 0.71 -1.68 0.22 5.66 -0.13 -4.72 114.28 110.60 1pu7 n THR 40 Ca -0.01 -0.03 -0.45 0.00 -3.05 0.00 0.00 64.05 60.50 1pu7 n THR 40 Cb 0.36 -0.88 -0.04 0.00 -1.55 0.00 0.00 70.33 68.22 1pu7 n THR 40 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1pu7 n GLN 41 N -2.28 2.45 -1.54 1.09 7.27 -1.16 -1.97 117.38 121.23 1pu7 n GLN 41 Ca 0.04 0.89 -0.16 0.00 0.07 0.00 0.00 57.00 57.84 1pu7 n GLN 41 Cb 0.33 -2.73 -0.06 0.00 2.41 0.00 0.00 30.24 30.18 1pu7 n GLN 41 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1pu7 n ASN 42 N 5.20 -4.94 -3.02 1.69 3.02 -1.26 -4.95 115.26 110.99 1pu7 n ASN 42 Ca 0.19 0.37 -0.15 0.00 -0.03 0.00 0.00 54.58 54.95 1pu7 n ASN 42 Cb 0.33 -3.88 -0.04 0.00 -0.61 0.00 0.00 39.78 35.57 1pu7 n ASN 42 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1pu7 n THR 43 N -2.66 0.00 -3.82 3.41 5.66 -0.83 -5.05 114.28 110.99 1pu7 n THR 43 Ca -0.16 -1.87 -0.34 0.00 -3.05 0.00 0.00 64.05 58.62 1pu7 n THR 43 Cb 0.54 1.11 -0.05 0.00 -1.55 0.00 0.00 70.33 70.38 1pu7 n THR 43 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1pu7 s LYS 44 N -2.88 3.52 0.50 1.09 3.01 -1.26 -4.92 119.74 118.80 1pu7 s LYS 44 Ca 0.31 -0.16 0.23 0.00 -1.01 0.00 0.00 55.97 55.34 1pu7 s LYS 44 Cb -0.01 -3.10 1.33 0.00 -1.01 0.00 0.00 37.83 35.05 1pu7 s LYS 44 CO 0.22 0.67 2.07 0.35 0.51 0.00 0.00 175.35 179.17 1pu7 h PHE 45 N 4.06 0.00 -0.82 3.18 3.04 -1.97 -1.53 116.94 122.90 1pu7 h PHE 45 Ca -0.50 0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.49 1pu7 h PHE 45 Cb 1.20 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.66 1pu7 h PHE 45 CO 0.69 0.13 0.52 0.93 -2.02 0.00 0.00 178.31 178.55 1pu7 h GLU 46 N 0.00 0.97 -0.67 1.11 3.07 -2.00 -0.84 114.58 116.21 1pu7 h GLU 46 Ca -0.00 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 1pu7 h GLU 46 Cb 0.28 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1pu7 h GLU 46 CO 0.02 0.64 0.19 0.00 -1.40 0.00 0.00 179.01 178.46 1pu7 h ALA 47 N 1.35 0.89 -0.53 3.43 0.00 -1.60 -2.72 119.26 120.08 1pu7 h ALA 47 Ca 0.33 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1pu7 h ALA 47 Cb 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1pu7 h ALA 47 CO -0.12 0.58 0.16 0.28 0.00 0.00 0.00 179.25 180.14 1pu7 h VAL 48 N 0.99 0.77 -0.93 0.00 2.07 -1.20 -1.88 116.25 116.07 1pu7 h VAL 48 Ca 0.21 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1pu7 h VAL 48 Cb 0.33 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1pu7 h VAL 48 CO -0.00 0.06 0.61 -0.07 0.02 0.00 0.00 177.57 178.18 1pu7 h LEU 49 N 0.31 0.97 -0.31 2.57 3.38 -0.88 -0.73 115.31 120.62 1pu7 h LEU 49 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1pu7 h LEU 49 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1pu7 h LEU 49 CO -0.30 0.64 0.16 0.11 0.09 0.00 0.00 178.44 179.14 1pu7 h LYS 50 N 1.11 0.45 -0.23 1.13 6.56 -1.16 -0.18 116.57 124.23 1pu7 h LYS 50 Ca 0.39 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.92 1pu7 h LYS 50 Cb 0.12 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 1pu7 h LYS 50 CO -0.14 0.41 0.14 0.77 -2.06 0.00 0.00 179.45 178.57 1pu7 h SER 51 N 0.37 0.23 -0.85 0.86 0.02 -0.78 -0.76 113.55 112.65 1pu7 h SER 51 Ca 0.11 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1pu7 h SER 51 Cb 0.10 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 1pu7 h SER 51 CO -0.01 0.17 0.52 -0.07 -1.14 0.00 0.00 176.83 176.29 1pu7 h LEU 52 N 0.29 0.80 -1.01 5.07 3.38 -1.02 -1.15 115.31 121.68 1pu7 h LEU 52 Ca 0.09 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1pu7 h LEU 52 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1pu7 h LEU 52 CO -0.04 0.51 -0.25 -0.33 0.09 0.00 0.00 178.44 178.42 1pu7 h GLU 53 N 0.93 0.42 -0.31 1.13 4.39 -0.65 0.95 114.58 121.44 1pu7 h GLU 53 Ca 0.38 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1pu7 h GLU 53 Cb 0.20 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1pu7 h GLU 53 CO -0.18 0.64 0.20 -0.91 -1.16 0.00 0.00 179.01 177.60 1pu7 h ASN 54 N 0.37 0.37 -0.71 1.42 2.35 -0.24 0.46 115.58 119.60 1pu7 h ASN 54 Ca 0.06 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1pu7 h ASN 54 Cb 0.63 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 1pu7 h ASN 54 CO 0.05 0.29 0.17 -0.07 -1.65 0.00 0.00 177.43 176.21 1pu7 h LEU 55 N 0.42 1.09 -0.29 1.61 3.38 -0.75 -1.46 115.31 119.31 1pu7 h LEU 55 Ca 0.11 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1pu7 h LEU 55 Cb -0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1pu7 h LEU 55 CO -0.02 1.04 -0.19 0.11 0.09 0.00 0.00 178.44 179.47 1pu7 h LYS 56 N 1.09 0.65 0.00 1.13 1.57 -0.53 -1.13 116.57 119.35 1pu7 h LYS 56 Ca 0.22 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1pu7 h LYS 56 Cb 0.39 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1pu7 h LYS 56 CO 0.00 0.90 -0.13 -0.91 -0.57 0.00 0.00 179.45 178.74 1pu7 h ASN 57 N 0.39 0.00 -0.15 0.86 2.35 0.12 -1.19 115.58 117.97 1pu7 h ASN 57 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1pu7 h ASN 57 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1pu7 h ASN 57 CO 0.05 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.97 1pu7 n ALA 58 N -2.28 2.52 -2.19 -0.83 0.00 -0.57 -4.93 120.51 112.24 1pu7 n ALA 58 Ca -0.02 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.70 1pu7 n ALA 58 Cb 0.26 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1pu7 n ALA 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pu7 n PHE 59 N 0.36 -0.84 0.08 0.00 3.01 -0.45 -4.86 117.46 114.75 1pu7 n PHE 59 Ca 0.17 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.41 1pu7 n PHE 59 Cb 0.35 -3.59 -0.14 0.00 -0.01 0.00 0.00 39.48 36.09 1pu7 n PHE 59 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1pu7 h ILE 60 N 0.00 1.37 -3.60 4.37 2.04 -1.45 -3.42 117.51 116.82 1pu7 h ILE 60 Ca -0.43 -2.47 -0.66 0.00 1.00 0.00 0.00 64.86 62.29 1pu7 h ILE 60 Cb 1.31 2.90 -0.25 0.00 -0.74 0.00 0.00 36.82 40.04 1pu7 h ILE 60 CO 0.54 0.73 -0.63 -0.22 0.00 0.00 0.00 178.15 178.57 1pu7 s LEU 61 N -7.89 3.62 0.00 1.44 2.96 -1.00 -4.78 118.68 113.03 1pu7 s LEU 61 Ca -0.11 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 1pu7 s LEU 61 Cb 0.04 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1pu7 s LEU 61 CO 0.89 -0.11 0.00 -0.62 -1.32 0.00 0.00 176.35 175.19 1pu7 n GLU 62 N 4.89 2.94 0.00 1.98 1.02 -1.26 -4.31 120.64 125.90 1pu7 n GLU 62 Ca -0.15 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.11 1pu7 n GLU 62 Cb 0.50 0.00 0.38 0.00 -0.02 0.00 0.00 31.44 32.30 1pu7 n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pu7 n ASN 63 N 0.00 0.48 -4.35 1.62 3.02 -1.26 -4.74 115.26 110.02 1pu7 n ASN 63 Ca 0.00 -0.24 -0.38 0.00 -0.03 0.00 0.00 54.58 53.93 1pu7 n ASN 63 Cb 0.00 0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.10 1pu7 n ASN 63 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pu7 s ASP 64 N -2.86 5.21 0.41 6.41 3.68 -1.26 -4.99 116.67 123.27 1pu7 s ASP 64 Ca 0.16 -0.72 0.18 0.00 2.13 0.00 0.00 52.55 54.29 1pu7 s ASP 64 Cb 0.18 -1.90 0.91 0.00 -1.45 0.00 0.00 42.92 40.66 1pu7 s ASP 64 CO 0.61 -0.21 1.88 0.44 0.13 0.00 0.00 175.17 178.02 1pu7 h ASP 65 N 8.25 0.00 -0.20 -0.34 3.45 -1.99 -0.15 116.42 125.45 1pu7 h ASP 65 Ca -0.31 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 56.99 1pu7 h ASP 65 Cb 1.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 1pu7 h ASP 65 CO 0.61 0.30 -0.52 -0.33 -1.57 0.00 0.00 179.24 177.72 1pu7 h GLU 66 N 0.00 0.70 -0.51 3.56 4.39 -1.99 -0.06 114.58 120.66 1pu7 h GLU 66 Ca -0.00 -0.49 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 1pu7 h GLU 66 Cb 0.61 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1pu7 h GLU 66 CO 0.04 1.11 0.23 0.82 -1.16 0.00 0.00 179.01 180.05 1pu7 h ILE 67 N 0.40 1.20 -0.72 3.13 2.04 -1.93 -2.74 117.51 118.90 1pu7 h ILE 67 Ca -0.01 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1pu7 h ILE 67 Cb 1.14 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1pu7 h ILE 67 CO 0.11 0.23 0.42 0.78 0.00 0.00 0.00 178.15 179.69 1pu7 h ASN 68 N 0.68 0.87 -0.21 1.72 -0.26 -0.90 0.30 115.58 117.78 1pu7 h ASN 68 Ca 0.17 -0.07 0.03 0.00 -0.56 0.00 0.00 56.30 55.87 1pu7 h ASN 68 Cb 0.14 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 1pu7 h ASN 68 CO -0.02 0.69 0.02 0.25 -1.06 0.00 0.00 177.43 177.31 1pu7 h LEU 69 N 0.98 -0.03 -0.85 1.61 5.85 -0.91 -2.02 115.31 119.95 1pu7 h LEU 69 Ca 0.26 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 1pu7 h LEU 69 Cb -0.01 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1pu7 h LEU 69 CO -0.05 0.02 0.25 0.11 -0.34 0.00 0.00 178.44 178.43 1pu7 h LYS 70 N 0.10 1.10 -0.63 1.25 1.57 -1.16 -1.19 116.57 117.62 1pu7 h LYS 70 Ca 0.10 -0.22 0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1pu7 h LYS 70 Cb 0.11 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 1pu7 h LYS 70 CO -0.14 0.92 0.29 0.87 -0.57 0.00 0.00 179.45 180.82 1pu7 h LYS 71 N 1.07 0.51 -0.11 3.15 1.79 -0.52 -1.52 116.57 120.93 1pu7 h LYS 71 Ca 0.24 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.46 1pu7 h LYS 71 Cb 0.26 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1pu7 h LYS 71 CO -0.01 0.34 -0.80 0.82 -1.08 0.00 0.00 179.45 178.71 1pu7 h ILE 72 N 0.52 1.31 -0.81 1.86 1.08 -1.19 -0.37 117.51 119.90 1pu7 h ILE 72 Ca 0.30 -2.07 0.07 0.00 -0.39 0.00 0.00 64.86 62.77 1pu7 h ILE 72 Cb 0.30 2.08 -0.05 0.00 -3.07 0.00 0.00 36.82 36.07 1pu7 h ILE 72 CO -0.25 0.64 0.53 0.00 -0.69 0.00 0.00 178.15 178.39 1pu7 h ALA 73 N 0.64 1.63 -0.01 1.87 0.00 -0.81 -3.24 119.26 119.33 1pu7 h ALA 73 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pu7 h ALA 73 Cb 1.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pu7 h ALA 73 CO 0.16 0.24 -0.00 0.66 0.00 0.00 0.00 179.25 180.30 1pu7 n TYR 74 N -4.49 0.00 -1.96 0.00 4.01 -0.61 -4.67 117.16 109.45 1pu7 n TYR 74 Ca 0.12 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.47 1pu7 n TYR 74 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1pu7 n TYR 74 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1pu7 s ILE 75 N -0.92 2.40 0.09 -0.72 2.07 -0.16 -4.91 121.20 119.06 1pu7 s ILE 75 Ca 0.13 0.37 -0.33 0.00 -1.41 0.00 0.00 60.65 59.41 1pu7 s ILE 75 Cb 0.09 -3.22 -0.12 0.00 0.13 0.00 0.00 42.46 39.35 1pu7 s ILE 75 CO 0.14 0.06 1.77 1.21 -1.91 0.00 0.00 174.94 176.20 1pu7 n GLU 76 N 0.10 2.47 -0.29 3.50 2.13 -1.26 -4.90 120.64 122.39 1pu7 n GLU 76 Ca 0.04 0.90 -0.02 0.00 0.66 0.00 0.00 57.16 58.74 1pu7 n GLU 76 Cb 0.42 -2.74 0.04 0.00 0.27 0.00 0.00 31.44 29.43 1pu7 n GLU 76 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1pu7 h PHE 77 N 7.83 -0.88 0.00 4.31 3.04 -1.97 -1.83 116.94 127.43 1pu7 h PHE 77 Ca -0.46 0.09 -0.07 0.00 3.98 0.00 0.00 57.97 61.50 1pu7 h PHE 77 Cb 1.24 0.50 -0.01 0.00 2.56 0.00 0.00 35.95 40.24 1pu7 h PHE 77 CO 0.75 -0.39 -0.35 0.66 -2.02 0.00 0.00 178.31 176.97 1pu7 h SER 78 N -0.07 0.00 -0.39 0.41 4.64 -1.99 0.14 113.55 116.29 1pu7 h SER 78 Ca 0.31 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.50 1pu7 h SER 78 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1pu7 h SER 78 CO -0.84 0.35 -0.27 0.50 -0.87 0.00 0.00 176.83 175.70 1pu7 h LYS 79 N 0.00 0.87 -0.30 4.77 3.64 -1.74 -2.03 116.57 121.79 1pu7 h LYS 79 Ca -0.00 -0.42 -0.09 0.00 -1.27 0.00 0.00 60.65 58.87 1pu7 h LYS 79 Cb 0.64 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1pu7 h LYS 79 CO 0.05 1.06 -0.17 1.25 -2.27 0.00 0.00 179.45 179.37 1pu7 h LEU 80 N 0.68 0.67 -0.39 5.20 5.85 -0.72 -2.41 115.31 124.19 1pu7 h LEU 80 Ca 0.08 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.44 1pu7 h LEU 80 Cb 0.85 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1pu7 h LEU 80 CO 0.07 0.94 0.06 0.00 -0.34 0.00 0.00 178.44 179.17 1pu7 h ALA 81 N 0.75 0.41 -0.27 1.25 0.00 -0.97 -2.19 119.26 118.22 1pu7 h ALA 81 Ca 0.06 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1pu7 h ALA 81 Cb 0.70 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1pu7 h ALA 81 CO 0.05 -0.35 -0.01 0.93 0.00 0.00 0.00 179.25 179.88 1pu7 h GLU 82 N 0.17 0.07 -0.09 0.00 4.39 -1.26 -2.75 114.58 115.12 1pu7 h GLU 82 Ca 0.19 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.90 1pu7 h GLU 82 Cb 0.24 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1pu7 h GLU 82 CO -0.27 0.05 0.06 0.00 -1.16 0.00 0.00 179.01 177.69 1pu7 n VAL 84 N -4.52 1.20 -0.31 0.00 0.24 -0.93 -4.50 118.33 109.51 1pu7 n VAL 84 Ca -0.01 -1.05 0.07 0.00 -2.04 0.00 0.00 64.34 61.30 1pu7 n VAL 84 Cb 0.14 0.41 0.17 0.00 -1.47 0.00 0.00 33.84 33.09 1pu7 n VAL 84 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1pu7 h ARG 85 N 4.10 0.02 -0.36 7.34 3.08 -1.20 -2.41 114.38 124.95 1pu7 h ARG 85 Ca 0.00 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1pu7 h ARG 85 Cb 1.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1pu7 h ARG 85 CO 0.06 0.02 0.26 -1.35 -1.07 0.00 0.00 179.97 177.88 1pu7 h PRO 86 N 0.02 0.00 -0.47 0.04 0.11 -1.85 -0.27 132.00 129.59 1pu7 h PRO 86 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1pu7 h PRO 86 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1pu7 h PRO 86 CO -0.87 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 175.79 1pu7 n SER 87 N -4.42 2.66 -0.48 -2.05 3.41 -0.91 -4.79 113.62 107.04 1pu7 n SER 87 Ca 0.06 -1.98 0.06 0.00 -0.26 0.00 0.00 58.87 56.75 1pu7 n SER 87 Cb 0.44 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1pu7 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pu7 n GLY 88 N 1.30 -2.26 4.10 5.00 0.00 -0.11 -4.75 105.19 108.46 1pu7 n GLY 88 Ca 0.17 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 1pu7 n GLY 88 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pu7 n PHE 89 N -3.07 -1.76 0.10 1.61 3.01 -1.26 -4.80 117.46 111.29 1pu7 n PHE 89 Ca -0.02 0.79 -0.18 0.00 1.01 0.00 0.00 57.45 59.05 1pu7 n PHE 89 Cb 0.23 -3.33 -0.12 0.00 -0.01 0.00 0.00 39.48 36.25 1pu7 n PHE 89 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1pu7 h TYR 90 N -1.69 0.73 -0.20 1.38 -0.00 -1.88 0.15 116.97 115.47 1pu7 h TYR 90 Ca -0.61 -0.48 0.01 0.00 0.00 0.00 0.00 58.73 57.66 1pu7 h TYR 90 Cb 1.38 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 38.04 1pu7 h TYR 90 CO 0.57 1.34 0.09 -0.91 -0.00 0.00 0.00 178.16 179.25 1pu7 h ASN 91 N 0.18 0.13 -0.33 0.10 2.35 -1.88 0.38 115.58 116.51 1pu7 h ASN 91 Ca -0.15 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1pu7 h ASN 91 Cb 1.89 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 40.23 1pu7 h ASN 91 CO 0.21 0.10 0.18 1.56 -1.65 0.00 0.00 177.43 177.83 1pu7 h GLN 92 N 0.20 0.46 -0.32 0.81 4.20 -1.86 -2.34 115.11 116.26 1pu7 h GLN 92 Ca 0.08 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1pu7 h GLN 92 Cb 0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1pu7 h GLN 92 CO -0.06 0.40 -0.15 0.87 -0.67 0.00 0.00 178.83 179.22 1pu7 h LYS 93 N 0.41 0.56 -0.23 1.46 1.57 -0.66 0.28 116.57 119.95 1pu7 h LYS 93 Ca 0.12 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1pu7 h LYS 93 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1pu7 h LYS 93 CO -0.02 0.69 -0.00 0.00 -0.57 0.00 0.00 179.45 179.55 1pu7 h ALA 94 N 1.33 0.32 -0.41 3.86 0.00 -0.83 -0.81 119.26 122.72 1pu7 h ALA 94 Ca 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pu7 h ALA 94 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pu7 h ALA 94 CO 0.04 0.05 0.24 -0.22 0.00 0.00 0.00 179.25 179.36 1pu7 h LYS 95 N 0.19 0.57 -0.44 0.00 1.63 -1.14 -0.78 116.57 116.61 1pu7 h LYS 95 Ca 0.07 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 59.89 1pu7 h LYS 95 Cb 0.42 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 31.86 1pu7 h LYS 95 CO 0.01 0.43 0.04 -0.09 -3.45 0.00 0.00 179.45 176.40 1pu7 h ARG 96 N 0.54 0.15 -0.42 1.90 2.43 -0.85 0.78 114.38 118.92 1pu7 h ARG 96 Ca 0.15 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 1pu7 h ARG 96 Cb 0.02 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1pu7 h ARG 96 CO -0.03 0.10 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.18 1pu7 h LEU 97 N 0.16 0.95 -0.10 3.80 3.38 -0.89 -0.45 115.31 122.16 1pu7 h LEU 97 Ca 0.22 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1pu7 h LEU 97 Cb 0.30 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pu7 h LEU 97 CO -0.32 1.16 -0.07 0.40 0.09 0.00 0.00 178.44 179.70 1pu7 h ILE 98 N 0.77 1.34 -0.37 1.22 2.04 -0.87 -0.10 117.51 121.53 1pu7 h ILE 98 Ca 0.09 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 1pu7 h ILE 98 Cb 0.86 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 1pu7 h ILE 98 CO 0.08 0.33 0.16 0.44 0.00 0.00 0.00 178.15 179.16 1pu7 h ASP 99 N -0.15 0.50 0.03 1.72 3.32 -0.87 -0.51 116.42 120.46 1pu7 h ASP 99 Ca 0.02 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1pu7 h ASP 99 Cb 0.55 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1pu7 h ASP 99 CO 0.02 0.51 -0.06 0.25 -1.72 0.00 0.00 179.24 178.24 1pu7 h LEU 100 N 0.46 -0.16 -0.49 1.55 5.85 -1.12 0.11 115.31 121.51 1pu7 h LEU 100 Ca 0.13 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1pu7 h LEU 100 Cb 0.15 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1pu7 h LEU 100 CO -0.01 -0.09 0.19 0.28 -0.34 0.00 0.00 178.44 178.47 1pu7 h SER 101 N -0.12 0.67 -0.84 1.25 0.02 -0.81 0.11 113.55 113.84 1pu7 h SER 101 Ca 0.01 -0.17 0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1pu7 h SER 101 Cb 0.13 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.43 1pu7 h SER 101 CO -0.04 0.66 0.51 1.23 -1.14 0.00 0.00 176.83 178.05 1pu7 h GLY 102 N 0.64 1.26 1.52 -3.77 0.00 -0.97 -2.06 103.07 99.71 1pu7 h GLY 102 Ca 0.16 -0.37 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 1pu7 h GLY 102 CO -0.01 0.24 -0.59 3.43 0.00 0.00 0.00 176.54 179.60 1pu7 h ASN 103 N 0.92 0.56 -0.28 0.19 2.35 -0.20 -1.32 115.58 117.80 1pu7 h ASN 103 Ca 0.37 -0.31 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1pu7 h ASN 103 Cb 0.19 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1pu7 h ASN 103 CO -0.18 1.02 0.07 0.40 -1.65 0.00 0.00 177.43 177.09 1pu7 h ILE 104 N 0.37 0.89 -0.71 2.81 2.04 -0.62 0.15 117.51 122.45 1pu7 h ILE 104 Ca -0.00 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1pu7 h ILE 104 Cb 1.14 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1pu7 h ILE 104 CO 0.11 0.03 0.32 -0.07 0.00 0.00 0.00 178.15 178.54 1pu7 h LEU 105 N 0.18 0.95 -0.11 1.44 3.38 -1.15 0.32 115.31 120.32 1pu7 h LEU 105 Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1pu7 h LEU 105 Cb 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1pu7 h LEU 105 CO -0.16 0.83 0.03 0.50 0.09 0.00 0.00 178.44 179.74 1pu7 h LYS 106 N 1.00 0.17 0.00 1.13 3.64 -1.02 -0.67 116.57 120.81 1pu7 h LYS 106 Ca 0.24 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.41 1pu7 h LYS 106 Cb 0.16 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1pu7 h LYS 106 CO -0.03 0.31 -1.28 -0.44 -2.27 0.00 0.00 179.45 175.75 1pu7 h ASP 107 N -0.01 0.00 0.00 4.20 3.45 -0.90 -3.41 116.42 119.75 1pu7 h ASP 107 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1pu7 h ASP 107 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1pu7 h ASP 107 CO -0.00 0.63 0.00 0.49 -1.57 0.00 0.00 179.24 178.79 1pu7 n PHE 108 N -2.98 0.00 0.00 4.55 3.72 0.11 -5.02 117.46 117.84 1pu7 n PHE 108 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1pu7 n PHE 108 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1pu7 n PHE 108 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1pu7 n GLN 109 N -0.07 0.00 -3.76 -1.08 3.00 -0.26 -4.34 117.38 110.87 1pu7 n GLN 109 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1pu7 n GLN 109 Cb 0.05 -0.93 -0.07 0.00 0.00 0.00 0.00 30.24 29.29 1pu7 n GLN 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1pu7 s SER 110 N 0.00 -0.06 0.22 1.08 1.04 -1.26 -4.83 113.70 109.90 1pu7 s SER 110 Ca 0.00 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 1pu7 s SER 110 Cb 0.00 0.38 0.21 0.00 0.10 0.00 0.00 66.02 66.71 1pu7 s SER 110 CO 0.00 -0.72 1.70 0.15 0.98 0.00 0.00 173.24 175.35 1pu7 h PHE 111 N 2.82 0.98 -0.19 5.02 3.57 -1.89 -0.97 116.94 126.28 1pu7 h PHE 111 Ca -0.33 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.06 1pu7 h PHE 111 Cb 1.21 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 1pu7 h PHE 111 CO 0.41 0.89 -0.10 1.49 -2.23 0.00 0.00 178.31 178.77 1pu7 h GLU 112 N 0.84 -0.09 -0.38 1.11 4.81 -1.96 -1.16 114.58 117.75 1pu7 h GLU 112 Ca 0.15 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1pu7 h GLU 112 Cb 0.52 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1pu7 h GLU 112 CO 0.03 -0.06 -0.03 -0.97 -0.73 0.00 0.00 179.01 177.25 1pu7 h ASN 113 N -0.09 0.68 -0.89 1.04 -1.24 -1.79 -2.75 115.58 110.53 1pu7 h ASN 113 Ca 0.11 -0.33 0.23 0.00 0.71 0.00 0.00 56.30 57.02 1pu7 h ASN 113 Cb 0.25 -0.18 -0.13 0.00 0.73 0.00 0.00 38.32 38.98 1pu7 h ASN 113 CO -0.25 0.84 0.33 0.15 -1.29 0.00 0.00 177.43 177.22 1pu7 h PHE 114 N 0.49 0.54 -0.04 0.67 3.57 -0.83 -0.06 116.94 121.28 1pu7 h PHE 114 Ca 0.10 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1pu7 h PHE 114 Cb 0.51 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1pu7 h PHE 114 CO 0.04 -0.12 -0.29 0.87 -2.23 0.00 0.00 178.31 176.58 1pu7 h LYS 115 N 0.31 0.07 0.13 1.11 1.57 -0.91 -0.58 116.57 118.27 1pu7 h LYS 115 Ca 0.56 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 59.10 1pu7 h LYS 115 Cb 1.11 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.44 1pu7 h LYS 115 CO -0.58 0.35 -0.93 0.37 -0.57 0.00 0.00 179.45 178.09 1pu7 h GLN 116 N 0.06 0.41 0.00 3.15 4.15 -1.10 -3.40 115.11 118.38 1pu7 h GLN 116 Ca 0.01 -0.61 0.00 0.00 0.77 0.00 0.00 58.65 58.82 1pu7 h GLN 116 Cb 0.54 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1pu7 h GLN 116 CO 0.04 1.27 -1.48 0.39 -1.93 0.00 0.00 178.83 177.11 1pu7 n GLU 117 N -4.04 0.63 -1.81 1.69 -0.58 -0.20 -5.00 120.64 111.34 1pu7 n GLU 117 Ca -0.14 -0.11 -0.39 0.00 -0.42 0.00 0.00 57.16 56.11 1pu7 n GLU 117 Cb 0.86 -1.44 0.02 0.00 -0.57 0.00 0.00 31.44 30.31 1pu7 n GLU 117 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pu7 s VAL 118 N -3.14 2.10 0.31 2.62 0.11 -0.24 -5.03 120.40 117.13 1pu7 s VAL 118 Ca -0.01 0.08 0.11 0.00 -2.93 0.00 0.00 61.98 59.23 1pu7 s VAL 118 Cb 0.13 -3.05 -0.06 0.00 -1.53 0.00 0.00 36.38 31.88 1pu7 s VAL 118 CO 0.81 0.01 -0.14 0.42 -3.33 0.00 0.00 175.10 172.86 1pu7 s THR 119 N -1.24 2.44 0.22 5.04 -4.23 -1.26 -5.04 115.64 111.57 1pu7 s THR 119 Ca 0.64 -2.29 -0.08 0.00 -1.18 0.00 0.00 61.69 58.79 1pu7 s THR 119 Cb -0.42 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.10 1pu7 s THR 119 CO 0.53 -0.31 1.78 -0.09 -0.54 0.00 0.00 174.62 175.99 1pu7 h ARG 120 N 2.14 0.60 -0.72 3.99 2.43 -1.96 -2.46 114.38 118.39 1pu7 h ARG 120 Ca -0.41 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 1pu7 h ARG 120 Cb 1.26 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1pu7 h ARG 120 CO 0.64 0.40 0.19 0.93 -1.51 0.00 0.00 179.97 180.62 1pu7 h GLU 121 N 0.62 1.15 -0.42 0.20 3.07 -1.97 0.11 114.58 117.34 1pu7 h GLU 121 Ca 0.33 -0.27 0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1pu7 h GLU 121 Cb 0.32 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.03 1pu7 h GLU 121 CO -0.25 1.00 0.13 2.35 -1.40 0.00 0.00 179.01 180.84 1pu7 h TRP 122 N 1.09 0.23 -0.39 4.33 7.01 -1.93 -1.49 115.95 124.80 1pu7 h TRP 122 Ca 0.23 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.20 1pu7 h TRP 122 Cb 0.36 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 1pu7 h TRP 122 CO 0.03 0.08 0.06 -0.07 -2.79 0.00 0.00 178.44 175.74 1pu7 h LEU 123 N 0.29 0.63 -2.48 0.65 3.38 -0.90 -2.06 115.31 114.82 1pu7 h LEU 123 Ca 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pu7 h LEU 123 Cb 0.20 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pu7 h LEU 123 CO -0.21 0.74 -0.02 -0.07 0.09 0.00 0.00 178.44 178.96 1pu7 h LEU 124 N 0.50 0.00 -0.47 1.67 3.38 -0.64 -1.00 115.31 118.75 1pu7 h LEU 124 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1pu7 h LEU 124 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1pu7 h LEU 124 CO 0.01 0.02 -0.00 0.47 0.09 0.00 0.00 178.44 179.02 1pu7 n ASP 125 N -3.27 0.74 -4.59 -0.43 10.43 -0.58 -4.73 116.55 114.13 1pu7 n ASP 125 Ca -0.02 -1.23 -0.41 0.00 2.57 0.00 0.00 54.79 55.70 1pu7 n ASP 125 Cb 0.14 -0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.03 1pu7 n ASP 125 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1pu7 s GLN 126 N -2.02 3.82 0.08 -1.24 -1.52 -0.38 -4.99 119.66 113.41 1pu7 s GLN 126 Ca 0.42 0.15 -0.33 0.00 -1.95 0.00 0.00 55.36 53.66 1pu7 s GLN 126 Cb 0.21 -3.75 -0.12 0.00 -0.22 0.00 0.00 33.01 29.14 1pu7 s GLN 126 CO 0.36 -0.59 1.79 1.17 -0.25 0.00 0.00 175.29 177.78 1pu7 n LYS 127 N 5.83 2.50 -0.02 2.91 4.81 -1.26 -1.77 118.16 131.16 1pu7 n LYS 127 Ca -0.02 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1pu7 n LYS 127 Cb 0.49 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.77 1pu7 n LYS 127 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pu7 n GLY 128 N 4.10 0.39 3.53 3.14 0.00 -1.26 -4.72 105.19 110.35 1pu7 n GLY 128 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1pu7 n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu7 s ILE 129 N -2.14 4.88 0.64 -0.61 1.01 -0.73 -5.06 121.20 119.20 1pu7 s ILE 129 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 1pu7 s ILE 129 Cb 0.00 -4.15 0.13 0.00 0.01 0.00 0.00 42.46 38.45 1pu7 s ILE 129 CO 0.00 -0.50 0.87 0.61 0.00 0.00 0.00 174.94 175.92 1pu7 n GLY 130 N 4.97 0.26 0.20 6.18 0.00 -1.26 -4.53 105.19 111.01 1pu7 n GLY 130 Ca -0.02 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1pu7 n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pu7 h LYS 131 N 0.00 0.63 -0.06 1.61 1.57 -1.98 0.64 116.57 118.98 1pu7 h LYS 131 Ca -0.29 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1pu7 h LYS 131 Cb 1.00 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1pu7 h LYS 131 CO 0.28 0.53 0.03 1.49 -0.57 0.00 0.00 179.45 181.22 1pu7 h GLU 132 N 0.57 0.06 -0.50 3.15 4.81 -1.94 0.25 114.58 120.98 1pu7 h GLU 132 Ca 0.15 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1pu7 h GLU 132 Cb 0.11 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1pu7 h GLU 132 CO -0.02 0.04 0.11 0.77 -0.73 0.00 0.00 179.01 179.18 1pu7 h SER 133 N 0.06 0.76 -0.40 1.04 0.02 -1.77 -0.61 113.55 112.66 1pu7 h SER 133 Ca 0.02 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1pu7 h SER 133 Cb 0.00 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1pu7 h SER 133 CO -0.02 0.80 0.23 0.00 -1.14 0.00 0.00 176.83 176.70 1pu7 h ALA 134 N 0.99 0.50 -0.51 3.77 0.00 -0.58 -1.33 119.26 122.10 1pu7 h ALA 134 Ca 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1pu7 h ALA 134 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1pu7 h ALA 134 CO 0.00 -0.12 0.09 -0.44 0.00 0.00 0.00 179.25 178.79 1pu7 h ASP 135 N 0.46 0.75 -0.18 0.00 3.45 -0.30 -1.55 116.42 119.03 1pu7 h ASP 135 Ca 0.16 -0.14 -0.12 0.00 0.43 0.00 0.00 57.03 57.36 1pu7 h ASP 135 Cb 0.03 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1pu7 h ASP 135 CO -0.09 0.76 -0.30 0.00 -1.57 0.00 0.00 179.24 178.04 1pu7 h ALA 136 N 1.34 0.87 -0.03 3.45 0.00 -0.81 0.62 119.26 124.70 1pu7 h ALA 136 Ca 0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pu7 h ALA 136 Cb 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pu7 h ALA 136 CO 0.00 0.63 0.01 0.82 0.00 0.00 0.00 179.25 180.72 1pu7 h ILE 137 N 0.57 1.10 0.08 0.00 2.04 -0.99 0.38 117.51 120.70 1pu7 h ILE 137 Ca 0.07 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1pu7 h ILE 137 Cb 0.80 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1pu7 h ILE 137 CO 0.07 0.08 -0.15 -0.07 0.00 0.00 0.00 178.15 178.08 1pu7 h LEU 138 N -0.08 -0.42 0.30 1.44 3.38 -1.02 0.02 115.31 118.93 1pu7 h LEU 138 Ca 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1pu7 h LEU 138 Cb 0.12 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1pu7 h LEU 138 CO -0.00 -0.22 -0.14 0.00 0.09 0.00 0.00 178.44 178.16 1pu7 h TYR 140 N -1.06 0.00 0.03 0.00 0.05 -0.30 -0.67 116.97 115.02 1pu7 h TYR 140 Ca -0.04 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.37 1pu7 h TYR 140 Cb 0.39 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 1pu7 h TYR 140 CO 0.02 0.51 -2.26 0.00 -1.05 0.00 0.00 178.16 175.38 1pu7 n ALA 141 N -2.26 1.31 0.76 3.88 0.00 -0.28 -0.03 120.51 123.88 1pu7 n ALA 141 Ca -0.01 -0.98 0.09 0.00 0.00 0.00 0.00 53.44 52.54 1pu7 n ALA 141 Cb 0.76 -0.34 0.05 0.00 0.00 0.00 0.00 19.45 19.92 1pu7 n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pu7 n ALA 143 N 0.66 -0.77 -2.25 0.00 0.00 -0.26 -4.91 120.51 112.98 1pu7 n ALA 143 Ca 0.09 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 1pu7 n ALA 143 Cb 0.42 -3.00 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 1pu7 n ALA 143 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pu7 s LYS 144 N -5.35 3.76 -1.31 0.00 -0.14 0.02 -4.80 119.74 111.92 1pu7 s LYS 144 Ca 0.15 0.39 -0.16 0.00 -1.36 0.00 0.00 55.97 54.99 1pu7 s LYS 144 Cb -0.07 -2.44 0.10 0.00 -1.68 0.00 0.00 37.83 33.74 1pu7 s LYS 144 CO 0.19 0.02 1.77 0.39 -0.76 0.00 0.00 175.35 176.95 1pu7 n GLU 145 N -1.20 3.21 -3.92 1.68 1.02 -1.26 -4.28 120.64 115.90 1pu7 n GLU 145 Ca 0.02 -3.31 -0.17 0.00 -0.02 0.00 0.00 57.16 53.67 1pu7 n GLU 145 Cb 0.54 -3.31 -0.16 0.00 -0.02 0.00 0.00 31.44 28.49 1pu7 n GLU 145 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pu7 s VAL 146 N 3.10 0.17 -0.26 2.62 1.01 -1.26 -5.01 120.40 120.77 1pu7 s VAL 146 Ca 0.49 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 1pu7 s VAL 146 Cb 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 1pu7 s VAL 146 CO 0.03 0.14 0.17 -0.32 0.00 0.00 0.00 175.10 175.12 1pu7 s MET 147 N 1.05 4.01 0.24 2.72 1.75 -1.26 -4.61 119.30 123.20 1pu7 s MET 147 Ca -0.09 -0.30 -0.30 0.00 -1.25 0.00 0.00 55.69 53.75 1pu7 s MET 147 Cb -0.13 -3.60 -0.10 0.00 2.84 0.00 0.00 34.83 33.84 1pu7 s MET 147 CO -0.02 -0.06 1.36 0.08 -0.65 0.00 0.00 175.02 175.73 1pu7 s VAL 148 N 1.41 2.91 0.42 10.11 1.01 -1.26 -4.88 120.40 130.12 1pu7 s VAL 148 Ca 0.07 0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.87 1pu7 s VAL 148 Cb -0.15 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1pu7 s VAL 148 CO 0.08 0.13 0.07 0.68 0.00 0.00 0.00 175.10 176.06 1pu7 s VAL 149 N -0.17 1.00 -0.03 2.92 -7.23 -1.26 -4.81 120.40 110.81 1pu7 s VAL 149 Ca 0.56 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.50 1pu7 s VAL 149 Cb -0.39 -2.45 0.08 0.00 0.56 0.00 0.00 36.38 34.17 1pu7 s VAL 149 CO 0.43 0.00 1.03 -0.90 -0.31 0.00 0.00 175.10 175.35 1pu7 n ASP 150 N -1.13 -0.91 -0.19 4.85 3.85 -1.26 -4.74 116.55 117.02 1pu7 n ASP 150 Ca -0.09 -1.15 -0.07 0.00 -0.71 0.00 0.00 54.79 52.78 1pu7 n ASP 150 Cb 0.66 1.40 0.03 0.00 -1.35 0.00 0.00 41.12 41.85 1pu7 n ASP 150 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 1pu7 h LYS 151 N 0.00 0.77 -0.49 0.11 3.64 -2.01 -1.92 116.57 116.66 1pu7 h LYS 151 Ca -0.16 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1pu7 h LYS 151 Cb 0.93 -0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.49 1pu7 h LYS 151 CO 0.24 0.57 -0.32 1.88 -2.27 0.00 0.00 179.45 179.56 1pu7 h TYR 152 N 0.75 -0.87 -0.71 1.91 0.99 -1.97 -1.30 116.97 115.77 1pu7 h TYR 152 Ca 0.20 0.06 -0.05 0.00 2.00 0.00 0.00 58.73 60.94 1pu7 h TYR 152 Cb 0.01 0.45 -0.03 0.00 1.00 0.00 0.00 36.73 38.16 1pu7 h TYR 152 CO -0.02 -0.37 0.24 0.77 -0.00 0.00 0.00 178.16 178.78 1pu7 h SER 153 N -0.20 1.01 -0.07 3.88 0.02 -1.86 0.48 113.55 116.81 1pu7 h SER 153 Ca 0.21 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1pu7 h SER 153 Cb 0.54 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1pu7 h SER 153 CO -0.60 0.92 -0.11 0.22 -1.14 0.00 0.00 176.83 176.12 1pu7 h TYR 154 N 1.05 -0.28 -0.22 3.45 3.20 -0.95 -1.83 116.97 121.38 1pu7 h TYR 154 Ca 0.23 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.96 1pu7 h TYR 154 Cb 0.26 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1pu7 h TYR 154 CO 0.02 -0.17 -0.53 -0.07 -1.64 0.00 0.00 178.16 175.77 1pu7 h LEU 155 N -0.16 0.71 -0.07 2.82 3.38 -0.90 -0.55 115.31 120.54 1pu7 h LEU 155 Ca 0.07 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pu7 h LEU 155 Cb 0.25 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1pu7 h LEU 155 CO -0.17 1.10 0.04 0.15 0.09 0.00 0.00 178.44 179.66 1pu7 h PHE 156 N 0.50 0.09 -0.37 1.13 3.04 -0.90 -1.79 116.94 118.62 1pu7 h PHE 156 Ca 0.02 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.85 1pu7 h PHE 156 Cb 1.08 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.55 1pu7 h PHE 156 CO 0.05 0.06 -0.22 1.25 -2.02 0.00 0.00 178.31 177.44 1pu7 h LEU 157 N 0.08 0.84 -0.42 0.59 6.46 -1.27 -2.77 115.31 118.83 1pu7 h LEU 157 Ca 0.03 -0.42 0.06 0.00 -0.12 0.00 0.00 57.88 57.43 1pu7 h LEU 157 Cb -0.00 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 39.64 1pu7 h LEU 157 CO -0.01 1.08 0.09 0.50 -0.62 0.00 0.00 178.44 179.48 1pu7 h LYS 158 N 0.60 0.22 -0.83 1.25 3.64 -0.69 -1.08 116.57 119.68 1pu7 h LYS 158 Ca 0.08 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.56 1pu7 h LYS 158 Cb 0.78 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.47 1pu7 h LYS 158 CO 0.06 0.15 0.46 -0.22 -2.27 0.00 0.00 179.45 177.62 1pu7 h LYS 159 N 0.23 0.69 0.00 1.90 1.63 -1.27 -0.28 116.57 119.47 1pu7 h LYS 159 Ca 0.20 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1pu7 h LYS 159 Cb 0.24 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1pu7 h LYS 159 CO -0.26 0.46 0.00 1.28 -3.45 0.00 0.00 179.45 177.48 1pu7 n LEU 160 N -4.80 0.00 0.00 5.20 4.77 -0.50 -4.86 117.00 116.82 1pu7 n LEU 160 Ca 0.15 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1pu7 n LEU 160 Cb 0.35 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1pu7 n LEU 160 CO 0.24 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1pu7 n GLY 161 N 0.29 1.15 3.00 -0.72 0.00 -0.12 -5.09 105.19 103.70 1pu7 n GLY 161 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1pu7 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu7 s ILE 162 N -2.00 1.61 -0.33 -0.61 1.01 -0.68 -5.00 121.20 115.20 1pu7 s ILE 162 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 1pu7 s ILE 162 Cb 0.00 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1pu7 s ILE 162 CO 0.00 0.29 0.14 -0.70 0.00 0.00 0.00 174.94 174.67 1pu7 s GLU 163 N 1.44 3.06 -0.31 2.79 2.12 -1.26 -2.34 118.70 124.20 1pu7 s GLU 163 Ca 0.01 -0.90 -0.00 0.00 0.36 0.00 0.00 54.97 54.44 1pu7 s GLU 163 Cb -0.15 -3.54 0.10 0.00 0.26 0.00 0.00 34.13 30.80 1pu7 s GLU 163 CO -0.09 -0.52 0.08 0.42 -0.54 0.00 0.00 175.26 174.61 1pu7 s ILE 164 N 1.54 1.08 0.07 -3.70 1.01 -1.26 -5.01 121.20 114.93 1pu7 s ILE 164 Ca 0.03 -1.50 -0.14 0.00 0.00 0.00 0.00 60.65 59.04 1pu7 s ILE 164 Cb -0.18 -1.80 -0.26 0.00 0.01 0.00 0.00 42.46 40.23 1pu7 s ILE 164 CO 0.05 -0.63 1.15 1.05 0.00 0.00 0.00 174.94 176.55 1pu7 h GLU 165 N 8.02 0.65 -6.47 2.79 -0.00 -1.97 -3.42 114.58 114.17 1pu7 h GLU 165 Ca -0.12 -0.78 -0.53 0.00 -0.00 0.00 0.00 59.36 57.92 1pu7 h GLU 165 Cb 1.02 0.24 0.02 0.00 -0.00 0.00 0.00 28.75 30.03 1pu7 h GLU 165 CO 0.47 1.35 0.83 0.34 -0.00 0.00 0.00 179.01 182.00 1pu7 s ASP 166 N -7.36 6.77 0.15 3.06 2.15 -1.26 -4.92 116.67 115.27 1pu7 s ASP 166 Ca -0.09 2.31 -0.21 0.00 0.43 0.00 0.00 52.55 54.99 1pu7 s ASP 166 Cb 0.06 -2.57 0.05 0.00 -0.30 0.00 0.00 42.92 40.16 1pu7 s ASP 166 CO 0.93 -0.74 1.64 0.22 -0.17 0.00 0.00 175.17 177.05 1pu7 h TYR 167 N 7.46 -0.54 -0.31 -5.34 3.20 -2.00 -1.84 116.97 117.59 1pu7 h TYR 167 Ca -0.41 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.41 1pu7 h TYR 167 Cb 1.20 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.73 1pu7 h TYR 167 CO 0.71 -0.29 -0.19 -0.44 -1.64 0.00 0.00 178.16 176.32 1pu7 h ASP 168 N -0.19 0.58 -0.27 -2.11 3.45 -1.98 -0.93 116.42 114.97 1pu7 h ASP 168 Ca 0.15 -0.18 -0.17 0.00 0.43 0.00 0.00 57.03 57.26 1pu7 h ASP 168 Cb 0.42 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1pu7 h ASP 168 CO -0.40 0.77 -0.47 -0.33 -1.57 0.00 0.00 179.24 177.25 1pu7 h GLU 169 N 0.52 0.84 -0.07 3.56 5.08 -1.91 -0.46 114.58 122.14 1pu7 h GLU 169 Ca 0.08 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1pu7 h GLU 169 Cb 0.62 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1pu7 h GLU 169 CO 0.04 1.12 0.03 1.25 -1.00 0.00 0.00 179.01 180.45 1pu7 h LEU 170 N 0.67 0.10 -0.36 1.33 6.46 -1.11 0.71 115.31 123.11 1pu7 h LEU 170 Ca 0.04 -0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1pu7 h LEU 170 Cb 1.06 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.91 1pu7 h LEU 170 CO 0.11 0.25 0.02 -0.61 -0.62 0.00 0.00 178.44 177.59 1pu7 h GLN 171 N -0.05 0.13 -0.96 1.25 4.15 -1.17 -1.46 115.11 116.99 1pu7 h GLN 171 Ca 0.02 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1pu7 h GLN 171 Cb 0.18 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 1pu7 h GLN 171 CO -0.00 0.08 0.63 1.25 -1.93 0.00 0.00 178.83 178.87 1pu7 h HIS 172 N 0.13 1.20 -0.69 3.99 2.76 -0.89 0.22 115.15 121.87 1pu7 h HIS 172 Ca 0.17 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.44 1pu7 h HIS 172 Cb 0.23 -0.40 -0.06 0.00 1.55 0.00 0.00 27.41 28.73 1pu7 h HIS 172 CO -0.23 0.73 0.38 0.35 -1.30 0.00 0.00 177.93 177.87 1pu7 h PHE 173 N 1.27 0.70 -0.19 5.26 3.04 -0.47 0.12 116.94 126.68 1pu7 h PHE 173 Ca 0.36 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 62.15 1pu7 h PHE 173 Cb -0.10 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.20 1pu7 h PHE 173 CO -0.00 0.33 -0.60 0.74 -2.02 0.00 0.00 178.31 176.75 1pu7 h PHE 174 N 0.70 0.97 -0.42 0.41 0.04 -0.45 -3.23 116.94 114.96 1pu7 h PHE 174 Ca 0.31 -0.39 -0.10 0.00 2.80 0.00 0.00 57.97 60.59 1pu7 h PHE 174 Cb 0.21 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1pu7 h PHE 174 CO -0.08 1.21 -0.13 0.93 -0.60 0.00 0.00 178.31 179.63 1pu7 h GLU 175 N 0.46 0.84 -0.47 1.51 5.08 -0.38 -3.31 114.58 118.30 1pu7 h GLU 175 Ca -0.02 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1pu7 h GLU 175 Cb 1.23 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1pu7 h GLU 175 CO 0.13 0.97 0.10 1.57 -1.00 0.00 0.00 179.01 180.77 1pu7 h LYS 176 N 0.66 0.72 -0.72 2.33 2.10 -0.77 -1.20 116.57 119.69 1pu7 h LYS 176 Ca 0.10 -0.14 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 1pu7 h LYS 176 Cb 0.68 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.86 1pu7 h LYS 176 CO 0.05 0.67 0.34 0.78 -2.00 0.00 0.00 179.45 179.28 1pu7 h GLY 177 N 0.91 1.11 0.45 0.07 0.00 -1.64 0.14 103.07 104.10 1pu7 h GLY 177 Ca 0.15 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1pu7 h GLY 177 CO 0.00 0.52 -0.02 -2.08 0.00 0.00 0.00 176.54 174.96 1pu7 h VAL 178 N 1.03 1.31 -0.74 4.60 2.07 -1.56 -2.94 116.25 120.01 1pu7 h VAL 178 Ca 0.25 -1.23 0.15 0.00 0.82 0.00 0.00 66.70 66.69 1pu7 h VAL 178 Cb 0.12 2.12 -0.10 0.00 -1.52 0.00 0.00 31.29 31.91 1pu7 h VAL 178 CO -0.03 0.31 0.26 1.56 0.02 0.00 0.00 177.57 179.69 1pu7 h GLN 179 N -0.61 0.37 0.00 1.57 4.20 -0.99 -0.94 115.11 118.71 1pu7 h GLN 179 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1pu7 h GLN 179 Cb 0.54 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1pu7 h GLN 179 CO 0.01 0.25 0.00 0.93 -0.67 0.00 0.00 178.83 179.35 1pu7 h GLU 180 N 0.38 0.00 -0.55 1.46 5.08 -0.74 -3.13 114.58 117.08 1pu7 h GLU 180 Ca 0.41 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.46 1pu7 h GLU 180 Cb 0.66 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.50 1pu7 h GLU 180 CO -0.43 0.00 -1.07 0.09 -1.00 0.00 0.00 179.01 176.60 1pu7 n ASN 181 N -2.58 2.22 0.08 1.42 3.02 -0.51 -4.96 115.26 113.95 1pu7 n ASN 181 Ca 0.01 -2.42 -0.13 0.00 -0.03 0.00 0.00 54.58 52.01 1pu7 n ASN 181 Cb 0.23 -0.46 -0.08 0.00 -0.61 0.00 0.00 39.78 38.86 1pu7 n ASN 181 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pu7 h LEU 182 N 2.56 -0.10 -0.53 3.41 5.85 -1.17 0.16 115.31 125.51 1pu7 h LEU 182 Ca -0.04 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1pu7 h LEU 182 Cb 1.30 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 1pu7 h LEU 182 CO 0.32 -0.01 0.31 0.78 -0.34 0.00 0.00 178.44 179.50 1pu7 h ASN 183 N -0.18 0.49 -0.53 1.25 4.21 -1.89 -0.44 115.58 118.48 1pu7 h ASN 183 Ca -0.01 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1pu7 h ASN 183 Cb 0.15 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 1pu7 h ASN 183 CO 0.02 0.34 0.08 0.28 -1.29 0.00 0.00 177.43 176.86 1pu7 h SER 184 N 0.61 0.89 0.19 5.81 0.02 -1.85 0.80 113.55 120.02 1pu7 h SER 184 Ca 0.22 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1pu7 h SER 184 Cb 0.04 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1pu7 h SER 184 CO -0.11 0.91 -0.09 0.00 -1.14 0.00 0.00 176.83 176.40 1pu7 h ALA 185 N 1.19 -0.26 -0.77 3.77 0.00 -0.39 -2.78 119.26 120.03 1pu7 h ALA 185 Ca 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pu7 h ALA 185 Cb 0.41 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1pu7 h ALA 185 CO 0.01 -0.55 0.51 -0.07 0.00 0.00 0.00 179.25 179.15 1pu7 h LEU 186 N -0.45 0.88 -1.34 0.00 3.38 -0.95 -1.99 115.31 114.84 1pu7 h LEU 186 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pu7 h LEU 186 Cb 0.34 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pu7 h LEU 186 CO 0.04 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1pu7 h ALA 187 N 1.52 1.00 0.00 1.53 0.00 -0.73 -0.29 119.26 122.29 1pu7 h ALA 187 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pu7 h ALA 187 Cb -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pu7 h ALA 187 CO -0.06 0.00 -0.00 -0.07 0.00 0.00 0.00 179.25 179.11 1pu7 h LEU 188 N 0.00 0.00 0.00 0.00 3.38 -1.07 -2.83 115.31 114.79 1pu7 h LEU 188 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pu7 h LEU 188 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1pu7 h LEU 188 CO 0.00 0.00 -0.34 -1.22 0.09 0.00 0.00 178.44 176.97 1pu7 n TYR 189 N -3.21 0.00 -1.43 1.13 4.01 -0.18 -5.03 117.16 112.44 1pu7 n TYR 189 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1pu7 n TYR 189 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1pu7 n TYR 189 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1pu7 n GLU 190 N -1.18 0.00 -2.07 -0.72 0.28 -0.82 -3.86 120.64 112.27 1pu7 n GLU 190 Ca 0.01 0.08 -0.21 0.00 -0.16 0.00 0.00 57.16 56.88 1pu7 n GLU 190 Cb 0.10 -2.85 -0.04 0.00 1.43 0.00 0.00 31.44 30.08 1pu7 n GLU 190 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1pu7 n ASN 191 N 1.58 -5.76 0.03 -1.84 3.02 -1.12 -4.87 115.26 106.30 1pu7 n ASN 191 Ca 0.00 0.20 0.12 0.00 -0.03 0.00 0.00 54.58 54.87 1pu7 n ASN 191 Cb 0.32 -4.90 0.16 0.00 -0.61 0.00 0.00 39.78 34.75 1pu7 n ASN 191 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1pu7 n THR 192 N -3.35 0.17 -4.24 3.41 -2.24 -1.25 -4.96 114.28 101.81 1pu7 n THR 192 Ca -0.23 -0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.23 1pu7 n THR 192 Cb 0.69 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.93 1pu7 n THR 192 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1pu7 s ILE 193 N -3.11 1.23 0.66 2.28 -4.36 -1.26 -5.16 121.20 111.48 1pu7 s ILE 193 Ca 0.07 -1.92 -0.07 0.00 -0.26 0.00 0.00 60.65 58.47 1pu7 s ILE 193 Cb 0.15 -1.71 0.04 0.00 1.25 0.00 0.00 42.46 42.19 1pu7 s ILE 193 CO 0.74 -0.62 0.99 -0.94 0.24 0.00 0.00 174.94 175.35 1pu7 s SER 194 N -2.88 5.19 0.26 4.36 1.04 -1.26 -4.91 113.70 115.50 1pu7 s SER 194 Ca 0.13 0.66 -0.02 0.00 0.48 0.00 0.00 55.95 57.21 1pu7 s SER 194 Cb -0.01 -1.46 0.33 0.00 0.10 0.00 0.00 66.02 64.99 1pu7 s SER 194 CO 0.02 -1.37 1.76 0.25 0.98 0.00 0.00 173.24 174.87 1pu7 h LEU 195 N -0.46 0.75 -0.39 2.42 5.85 -1.99 0.10 115.31 121.59 1pu7 h LEU 195 Ca -0.45 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.10 1pu7 h LEU 195 Cb 1.28 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1pu7 h LEU 195 CO 0.61 0.83 0.24 0.00 -0.34 0.00 0.00 178.44 179.77 1pu7 h ALA 196 N 1.26 0.49 -0.70 1.25 0.00 -1.87 -0.17 119.26 119.52 1pu7 h ALA 196 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1pu7 h ALA 196 Cb 0.46 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1pu7 h ALA 196 CO 0.02 -0.09 0.15 0.37 0.00 0.00 0.00 179.25 179.70 1pu7 h GLN 197 N 0.48 1.12 -0.12 0.00 4.15 -1.81 0.14 115.11 119.08 1pu7 h GLN 197 Ca 0.15 -0.28 0.04 0.00 0.77 0.00 0.00 58.65 59.34 1pu7 h GLN 197 Cb -0.01 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.49 1pu7 h GLN 197 CO -0.06 1.00 -0.18 1.25 -1.93 0.00 0.00 178.83 178.91 1pu7 h LEU 198 N 1.06 -0.56 -0.84 -2.39 6.46 -0.43 -0.05 115.31 118.55 1pu7 h LEU 198 Ca 0.22 0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 58.01 1pu7 h LEU 198 Cb 0.40 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 1pu7 h LEU 198 CO 0.01 -0.23 0.11 1.88 -0.62 0.00 0.00 178.44 179.58 1pu7 h TYR 199 N -0.24 1.02 -0.63 1.25 0.99 -0.72 0.13 116.97 118.78 1pu7 h TYR 199 Ca 0.09 -0.12 0.11 0.00 2.00 0.00 0.00 58.73 60.81 1pu7 h TYR 199 Cb 0.37 -0.29 -0.08 0.00 1.00 0.00 0.00 36.73 37.73 1pu7 h TYR 199 CO -0.29 0.86 0.20 0.00 -0.00 0.00 0.00 178.16 178.93 1pu7 h ALA 200 N 1.19 0.80 0.05 3.88 0.00 -0.65 -1.11 119.26 123.42 1pu7 h ALA 200 Ca 0.19 0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.96 1pu7 h ALA 200 Cb 0.39 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pu7 h ALA 200 CO 0.01 -0.25 -1.06 0.00 0.00 0.00 0.00 179.25 177.95 1pu7 h ARG 201 N 0.35 0.40 -0.18 0.00 3.08 -0.23 -2.80 114.38 114.99 1pu7 h ARG 201 Ca 0.33 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1pu7 h ARG 201 Cb 0.47 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1pu7 h ARG 201 CO -0.37 1.17 0.04 0.35 -1.07 0.00 0.00 179.97 180.09 1pu7 h PHE 202 N 0.20 0.32 -0.67 3.04 -0.00 -0.61 -2.33 116.94 116.88 1pu7 h PHE 202 Ca -0.11 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.97 57.78 1pu7 h PHE 202 Cb 1.72 -0.09 -0.03 0.00 -0.00 0.00 0.00 35.95 37.55 1pu7 h PHE 202 CO 0.07 0.45 0.29 1.25 -0.00 0.00 0.00 178.31 180.36 1pu7 h HIS 203 N 0.10 1.01 0.00 0.41 2.76 -1.29 -2.25 115.15 115.89 1pu7 h HIS 203 Ca 0.06 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1pu7 h HIS 203 Cb 0.29 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1pu7 h HIS 203 CO 0.02 0.78 0.00 0.41 -1.30 0.00 0.00 177.93 177.83 1pu7 n GLY 204 N -0.88 0.00 0.90 5.26 0.00 -0.88 -1.36 105.19 108.24 1pu7 n GLY 204 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pu7 n GLY 204 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pu7 n ILE 206 N 0.65 0.00 0.09 -0.61 5.41 -0.85 -0.89 119.36 123.16 1pu7 n ILE 206 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1pu7 n ILE 206 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1pu7 n ILE 206 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1pu7 h VAL 207 N 0.00 0.72 -0.65 1.39 2.07 -1.50 0.12 116.25 118.41 1pu7 h VAL 207 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1pu7 h VAL 207 Cb 0.00 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1pu7 h VAL 207 CO 0.00 0.00 0.32 -0.33 0.02 0.00 0.00 177.57 177.58 1pu7 h GLU 208 N -0.26 0.93 -0.56 1.57 4.39 -1.28 0.31 114.58 119.68 1pu7 h GLU 208 Ca 0.01 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.59 1pu7 h GLU 208 Cb 0.26 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1pu7 h GLU 208 CO -0.05 0.74 0.36 0.35 -1.16 0.00 0.00 179.01 179.24 1pu7 h PHE 209 N 0.89 0.67 -0.16 4.33 3.04 -1.76 -0.21 116.94 123.74 1pu7 h PHE 209 Ca 0.22 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.16 1pu7 h PHE 209 Cb 0.11 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 1pu7 h PHE 209 CO 0.00 0.41 -0.04 0.77 -2.02 0.00 0.00 178.31 177.44 1pu7 h SER 210 N 0.72 0.31 -0.85 0.41 0.02 0.02 -2.59 113.55 111.59 1pu7 h SER 210 Ca 0.21 -0.36 0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1pu7 h SER 210 Cb -0.05 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 1pu7 h SER 210 CO -0.06 0.60 0.56 0.11 -1.14 0.00 0.00 176.83 176.90 1pu7 h LYS 211 N 0.02 0.98 0.00 3.45 1.57 -0.31 -2.47 116.57 119.81 1pu7 h LYS 211 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1pu7 h LYS 211 Cb 0.46 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1pu7 h LYS 211 CO 0.02 0.65 0.00 1.04 -0.57 0.00 0.00 179.45 180.58 1pu7 n GLN 212 N -4.47 0.06 -3.63 3.15 6.02 -0.10 -4.94 117.38 113.48 1pu7 n GLN 212 Ca 0.12 0.13 -0.22 0.00 -0.01 0.00 0.00 57.00 57.01 1pu7 n GLN 212 Cb 0.16 -1.59 0.06 0.00 1.02 0.00 0.00 30.24 29.89 1pu7 n GLN 212 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1pu7 n LYS 213 N -1.70 -6.48 -2.43 -1.09 -0.00 -0.93 -5.02 118.16 100.50 1pu7 n LYS 213 Ca 0.06 0.75 -0.25 0.00 -0.00 0.00 0.00 58.31 58.87 1pu7 n LYS 213 Cb 0.31 -5.66 0.12 0.00 -0.00 0.00 0.00 35.03 29.81 1pu7 n LYS 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1pu7 s LEU 214 N -6.88 2.91 -0.07 -5.58 1.43 -1.14 -5.09 118.68 104.26 1pu7 s LEU 214 Ca 0.30 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1pu7 s LEU 214 Cb -0.14 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1pu7 s LEU 214 CO 0.77 -2.06 -0.05 -0.70 0.23 0.00 0.00 176.35 174.54 1pu7 s GLU 215 N -5.32 1.01 0.00 1.70 2.56 -1.26 -4.99 118.70 112.41 1pu7 s GLU 215 Ca 0.68 -0.11 0.32 0.00 0.00 0.00 0.00 54.97 55.86 1pu7 s GLU 215 Cb -0.05 -1.10 1.91 0.00 2.00 0.00 0.00 34.13 36.89 1pu7 s GLU 215 CO 0.46 -0.17 2.23 -0.11 -0.56 0.00 0.00 175.26 177.11