#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u53 s PHE 0 N 0.00 0.23 0.43 4.31 5.36 -1.26 -5.13 117.98 121.92 1u53 s PHE 0 Ca 0.00 -0.49 -0.15 0.00 -0.96 0.00 0.00 56.93 55.33 1u53 s PHE 0 Cb 0.00 -0.76 -0.08 0.00 -0.34 0.00 0.00 43.02 41.84 1u53 s PHE 0 CO 0.00 -0.61 0.87 0.20 -1.46 0.00 0.00 175.22 174.22 1u53 s GLY 1 N 2.13 2.15 0.68 13.12 0.00 -1.26 -4.98 107.32 119.15 1u53 s GLY 1 Ca 0.04 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.74 1u53 s GLY 1 CO -0.17 0.33 1.07 0.00 0.00 0.00 0.00 173.10 174.32 1u53 s PRO 3 N -5.30 1.21 -1.33 0.00 0.02 -1.26 -4.88 135.00 123.47 1u53 s PRO 3 Ca 0.57 1.45 -0.14 0.00 0.02 0.00 0.00 61.00 62.91 1u53 s PRO 3 Cb -0.11 -1.76 0.10 0.00 0.02 0.00 0.00 34.50 32.76 1u53 s PRO 3 CO 0.52 -2.47 1.86 -3.47 -0.33 0.00 0.00 177.00 173.11 1u53 n ASP 4 N -4.11 4.71 -0.45 2.53 2.03 -1.26 -4.69 116.55 115.31 1u53 n ASP 4 Ca 0.11 -2.95 0.06 0.00 0.52 0.00 0.00 54.79 52.53 1u53 n ASP 4 Cb 0.52 -1.62 0.14 0.00 -0.72 0.00 0.00 41.12 39.44 1u53 n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1u53 n ASN 5 N 6.10 2.86 0.00 1.67 0.23 -1.26 -4.95 115.26 119.90 1u53 n ASN 5 Ca 0.45 -2.49 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 1u53 n ASN 5 Cb 0.41 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1u53 n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u53 n GLY 6 N -0.38 2.38 3.76 4.83 0.00 -1.26 -5.07 105.19 109.44 1u53 n GLY 6 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1u53 n GLY 6 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1u53 s MET 7 N -0.89 4.45 0.22 1.61 0.00 -1.26 -4.97 119.30 118.45 1u53 s MET 7 Ca 0.00 0.99 -0.07 0.00 0.00 0.00 0.00 55.69 56.62 1u53 s MET 7 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 34.83 31.44 1u53 s MET 7 CO 0.00 0.37 0.49 -1.54 0.00 0.00 0.00 175.02 174.34 1u53 s SER 8 N -0.34 6.53 0.39 1.11 1.04 -1.26 -4.97 113.70 116.20 1u53 s SER 8 Ca 0.36 0.75 0.06 0.00 0.48 0.00 0.00 55.95 57.60 1u53 s SER 8 Cb -0.20 -2.16 0.80 0.00 0.10 0.00 0.00 66.02 64.56 1u53 s SER 8 CO 0.22 -0.06 2.02 -0.08 0.98 0.00 0.00 173.24 176.32 1u53 h GLU 9 N 2.39 0.64 -0.84 4.02 4.57 -1.98 -1.16 114.58 122.22 1u53 h GLU 9 Ca -0.47 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1u53 h GLU 9 Cb 1.17 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 1u53 h GLU 9 CO 0.69 0.42 0.47 0.93 -1.18 0.00 0.00 179.01 180.35 1u53 h GLU 10 N 0.65 1.17 -0.17 1.92 3.07 -1.99 0.16 114.58 119.38 1u53 h GLU 10 Ca 0.21 -0.13 -0.18 0.00 -0.50 0.00 0.00 59.36 58.76 1u53 h GLU 10 Cb 0.04 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.72 1u53 h GLU 10 CO -0.05 0.85 -0.62 0.00 -1.40 0.00 0.00 179.01 177.78 1u53 h ALA 11 N 1.25 0.58 -0.41 3.43 0.00 -1.65 -0.21 119.26 122.26 1u53 h ALA 11 Ca 0.30 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1u53 h ALA 11 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u53 h ALA 11 CO -0.05 0.70 0.12 0.00 0.00 0.00 0.00 179.25 180.02 1u53 h ARG 12 N 0.45 0.65 -0.85 0.00 3.08 -0.92 -0.55 114.38 116.25 1u53 h ARG 12 Ca -0.01 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1u53 h ARG 12 Cb 1.19 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 1u53 h ARG 12 CO 0.12 0.65 0.41 1.96 -1.07 0.00 0.00 179.97 182.04 1u53 h GLN 13 N 0.53 1.22 -0.42 0.04 4.20 -0.81 -1.88 115.11 117.99 1u53 h GLN 13 Ca 0.13 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1u53 h GLN 13 Cb 0.27 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1u53 h GLN 13 CO -0.00 0.93 0.16 -0.22 -0.67 0.00 0.00 178.83 179.02 1u53 h LYS 14 N 1.20 0.64 -0.07 1.46 1.63 -0.70 0.46 116.57 121.19 1u53 h LYS 14 Ca 0.29 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1u53 h LYS 14 Cb 0.11 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1u53 h LYS 14 CO -0.04 0.61 0.05 0.74 -3.45 0.00 0.00 179.45 177.36 1u53 h PHE 15 N 0.54 0.09 -0.22 1.91 0.04 -0.85 -0.90 116.94 117.55 1u53 h PHE 15 Ca 0.14 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 1u53 h PHE 15 Cb 0.22 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1u53 h PHE 15 CO 0.00 0.07 -0.03 1.25 -0.60 0.00 0.00 178.31 179.01 1u53 h LEU 16 N 0.09 0.41 -0.56 1.54 5.85 -1.15 -0.98 115.31 120.51 1u53 h LEU 16 Ca 0.03 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1u53 h LEU 16 Cb 0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1u53 h LEU 16 CO -0.01 0.66 0.25 -0.33 -0.34 0.00 0.00 178.44 178.67 1u53 h GLU 17 N 0.16 0.82 -0.49 1.25 5.08 -0.83 -0.68 114.58 119.89 1u53 h GLU 17 Ca 0.06 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1u53 h GLU 17 Cb 0.47 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1u53 h GLU 17 CO 0.02 0.69 0.27 0.52 -1.00 0.00 0.00 179.01 179.51 1u53 h MET 18 N 0.76 0.68 -0.35 2.33 2.86 -1.15 0.24 114.93 120.30 1u53 h MET 18 Ca 0.19 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1u53 h MET 18 Cb 0.16 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1u53 h MET 18 CO -0.02 0.52 0.18 0.45 1.06 0.00 0.00 176.91 179.11 1u53 h HIS 19 N 0.64 0.50 -0.21 -0.22 3.86 -0.82 -1.70 115.15 117.21 1u53 h HIS 19 Ca 0.17 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.23 1u53 h HIS 19 Cb 0.04 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1u53 h HIS 19 CO -0.02 0.41 -0.42 -0.91 0.86 0.00 0.00 177.93 177.85 1u53 h ASN 20 N 0.44 0.53 -0.13 2.45 2.35 -0.91 -0.15 115.58 120.16 1u53 h ASN 20 Ca 0.12 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1u53 h ASN 20 Cb 0.09 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1u53 h ASN 20 CO -0.02 0.88 0.05 -1.28 -1.65 0.00 0.00 177.43 175.41 1u53 h SER 21 N 0.41 0.05 -0.06 5.81 0.87 -0.44 -0.09 113.55 120.11 1u53 h SER 21 Ca 0.03 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 1u53 h SER 21 Cb 0.90 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1u53 h SER 21 CO 0.08 0.05 -0.77 -0.07 -0.53 0.00 0.00 176.83 175.59 1u53 h LEU 22 N 0.11 0.84 -0.89 2.23 3.38 -1.19 -0.04 115.31 119.76 1u53 h LEU 22 Ca 0.05 -0.55 0.12 0.00 0.09 0.00 0.00 57.88 57.59 1u53 h LEU 22 Cb 0.03 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 1u53 h LEU 22 CO -0.06 1.34 0.51 0.03 0.09 0.00 0.00 178.44 180.36 1u53 h ARG 23 N 0.49 0.77 -0.21 1.13 3.08 -0.94 -1.22 114.38 117.48 1u53 h ARG 23 Ca -0.05 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1u53 h ARG 23 Cb 1.38 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1u53 h ARG 23 CO 0.15 0.51 -0.05 1.03 -1.07 0.00 0.00 179.97 180.54 1u53 h SER 24 N 0.80 0.41 -0.60 7.04 0.87 -0.50 -0.44 113.55 121.13 1u53 h SER 24 Ca 0.45 -0.37 0.10 0.00 -1.23 0.00 0.00 61.79 60.74 1u53 h SER 24 Cb 0.51 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 62.28 1u53 h SER 24 CO -0.29 0.69 0.20 0.77 -0.53 0.00 0.00 176.83 177.67 1u53 h SER 25 N 0.13 0.17 0.01 6.23 4.64 -0.67 -0.61 113.55 123.45 1u53 h SER 25 Ca 0.05 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1u53 h SER 25 Cb 0.51 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1u53 h SER 25 CO 0.02 0.10 -0.01 0.58 -0.87 0.00 0.00 176.83 176.66 1u53 h VAL 26 N 0.37 1.09 -0.57 0.95 2.07 -1.07 -0.48 116.25 118.60 1u53 h VAL 26 Ca 0.31 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1u53 h VAL 26 Cb 0.40 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1u53 h VAL 26 CO -0.33 0.08 0.38 0.00 0.02 0.00 0.00 177.57 177.71 1u53 h ALA 27 N 0.84 1.74 -0.01 1.67 0.00 -0.43 -1.37 119.26 121.70 1u53 h ALA 27 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u53 h ALA 27 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1u53 h ALA 27 CO 0.00 0.19 -0.03 1.28 0.00 0.00 0.00 179.25 180.69 1u53 n LEU 28 N -4.47 0.57 0.00 0.00 4.77 -0.30 -1.97 117.00 115.60 1u53 n LEU 28 Ca 0.07 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1u53 n LEU 28 Cb 0.16 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1u53 n LEU 28 CO 0.35 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1u53 n GLY 29 N 1.13 0.48 0.78 -0.72 0.00 -0.52 -4.93 105.19 101.41 1u53 n GLY 29 Ca 0.20 -0.92 0.09 0.00 0.00 0.00 0.00 46.02 45.39 1u53 n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u53 n GLN 30 N -2.49 1.70 -3.50 1.61 6.02 -0.20 -4.79 117.38 115.73 1u53 n GLN 30 Ca 0.00 -1.69 -0.39 0.00 -0.01 0.00 0.00 57.00 54.92 1u53 n GLN 30 Cb 0.09 -1.37 -0.10 0.00 1.02 0.00 0.00 30.24 29.88 1u53 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u53 s ALA 31 N -1.52 3.54 0.31 -1.58 0.00 -1.21 -4.94 121.76 116.37 1u53 s ALA 31 Ca 0.23 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1u53 s ALA 31 Cb 0.16 -2.58 -0.11 0.00 0.00 0.00 0.00 23.12 20.59 1u53 s ALA 31 CO 0.24 -0.61 1.46 0.21 0.00 0.00 0.00 175.76 177.06 1u53 s LYS 32 N 1.89 4.21 -0.14 0.00 2.47 -1.26 -0.22 119.74 126.70 1u53 s LYS 32 Ca 0.10 2.42 0.00 0.00 -1.56 0.00 0.00 55.97 56.93 1u53 s LYS 32 Cb -0.16 -3.05 -0.01 0.00 -1.46 0.00 0.00 37.83 33.15 1u53 s LYS 32 CO 0.11 -0.45 -0.14 0.34 0.16 0.00 0.00 175.35 175.37 1u53 s ASP 33 N 0.09 3.87 0.46 1.43 -1.08 -0.30 -3.86 116.67 117.29 1u53 s ASP 33 Ca 0.56 -0.38 0.31 0.00 -0.52 0.00 0.00 52.55 52.53 1u53 s ASP 33 Cb -0.44 -1.59 1.62 0.00 -1.46 0.00 0.00 42.92 41.06 1u53 s ASP 33 CO 0.51 0.14 1.95 1.23 0.52 0.00 0.00 175.17 179.52 1u53 h GLY 34 N 6.88 0.00 2.00 2.66 0.00 -1.09 -0.93 103.07 112.60 1u53 h GLY 34 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1u53 h GLY 34 CO 0.55 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.09 1u53 n ALA 35 N -1.91 1.92 0.00 3.60 0.00 -1.26 -4.70 120.51 118.15 1u53 n ALA 35 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1u53 n ALA 35 Cb 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1u53 n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u53 n GLY 36 N 0.55 3.78 7.00 0.00 0.00 -0.35 -4.94 105.19 111.22 1u53 n GLY 36 Ca 0.04 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1u53 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u53 n GLY 37 N -0.85 0.97 3.83 -0.02 0.00 -1.26 -4.57 105.19 103.28 1u53 n GLY 37 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 1u53 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u53 s ASN 38 N -4.00 5.16 0.57 1.61 -0.87 -1.26 -1.15 114.94 115.00 1u53 s ASN 38 Ca 0.00 -0.56 -0.21 0.00 -1.57 0.00 0.00 52.86 50.52 1u53 s ASN 38 Cb 0.00 -0.91 -0.04 0.00 -0.02 0.00 0.00 41.25 40.28 1u53 s ASN 38 CO 0.00 -0.36 1.34 0.00 -2.57 0.00 0.00 177.10 175.51 1u53 s ALA 39 N -2.34 2.71 0.70 0.60 0.00 0.70 -4.73 121.76 119.40 1u53 s ALA 39 Ca 0.41 1.30 -0.15 0.00 0.00 0.00 0.00 51.96 53.51 1u53 s ALA 39 Cb -0.05 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.53 1u53 s ALA 39 CO 0.26 -1.42 1.17 -1.25 0.00 0.00 0.00 175.76 174.51 1u53 s PRO 40 N -3.03 2.43 0.61 0.00 0.04 -1.26 -4.58 135.00 129.20 1u53 s PRO 40 Ca 0.74 1.61 -0.18 0.00 0.04 0.00 0.00 61.00 63.22 1u53 s PRO 40 Cb -0.39 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1u53 s PRO 40 CO 0.45 -1.58 1.18 0.15 0.04 0.00 0.00 177.00 177.25 1u53 s LYS 41 N -3.96 2.93 -0.11 4.56 1.02 -1.26 -4.70 119.74 118.22 1u53 s LYS 41 Ca 0.71 1.74 -0.00 0.00 0.02 0.00 0.00 55.97 58.44 1u53 s LYS 41 Cb -0.26 -1.93 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1u53 s LYS 41 CO 0.43 -1.22 -0.10 0.00 -0.92 0.00 0.00 175.35 173.55 1u53 s ALA 42 N -1.74 2.80 -0.33 5.17 0.00 -0.83 -1.69 121.76 125.14 1u53 s ALA 42 Ca 0.75 -0.88 0.20 0.00 0.00 0.00 0.00 51.96 52.03 1u53 s ALA 42 Cb -0.28 -1.26 0.22 0.00 0.00 0.00 0.00 23.12 21.80 1u53 s ALA 42 CO 0.34 0.36 1.51 0.00 0.00 0.00 0.00 175.76 177.97 1u53 h ALA 43 N 6.18 0.86 -0.12 0.00 0.00 -1.01 -3.26 119.26 121.92 1u53 h ALA 43 Ca -0.35 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 1u53 h ALA 43 Cb 1.19 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 1u53 h ALA 43 CO 0.56 0.22 -0.45 0.36 0.00 0.00 0.00 179.25 179.94 1u53 n LYS 44 N -3.11 1.15 -2.28 0.00 2.85 -1.26 -1.53 118.16 113.98 1u53 n LYS 44 Ca 0.03 -1.98 -0.42 0.00 -1.05 0.00 0.00 58.31 54.88 1u53 n LYS 44 Cb 0.60 -0.39 -0.03 0.00 -0.65 0.00 0.00 35.03 34.57 1u53 n LYS 44 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1u53 s MET 45 N -0.08 4.27 0.19 -1.58 1.75 -1.26 -4.80 119.30 117.79 1u53 s MET 45 Ca 0.23 1.88 -0.18 0.00 -1.25 0.00 0.00 55.69 56.37 1u53 s MET 45 Cb 0.38 -3.65 -0.08 0.00 2.84 0.00 0.00 34.83 34.32 1u53 s MET 45 CO -0.07 -0.61 0.66 0.15 -0.65 0.00 0.00 175.02 174.50 1u53 s LYS 46 N 2.76 4.15 0.26 4.11 1.02 -1.23 -0.06 119.74 130.74 1u53 s LYS 46 Ca 0.62 0.72 -0.30 0.00 0.02 0.00 0.00 55.97 57.04 1u53 s LYS 46 Cb -0.29 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 34.03 1u53 s LYS 46 CO 0.24 0.43 1.32 0.99 -0.92 0.00 0.00 175.35 177.40 1u53 s THR 47 N -1.50 2.95 0.29 2.17 2.01 0.45 -4.81 115.64 117.20 1u53 s THR 47 Ca 0.41 0.85 -0.13 0.00 0.31 0.00 0.00 61.69 63.13 1u53 s THR 47 Cb -0.16 -3.54 -0.08 0.00 0.01 0.00 0.00 72.50 68.73 1u53 s THR 47 CO 0.20 0.16 0.67 -0.04 -0.69 0.00 0.00 174.62 174.92 1u53 s MET 48 N -0.81 3.92 0.16 4.92 1.00 -1.26 -4.77 119.30 122.45 1u53 s MET 48 Ca 0.54 0.51 0.11 0.00 0.00 0.00 0.00 55.69 56.85 1u53 s MET 48 Cb -0.38 -2.51 -0.04 0.00 0.00 0.00 0.00 34.83 31.89 1u53 s MET 48 CO 0.44 0.21 -0.25 0.00 0.00 0.00 0.00 175.02 175.42 1u53 s ALA 49 N -1.93 2.45 0.29 3.03 0.00 -0.31 -4.99 121.76 120.30 1u53 s ALA 49 Ca 0.51 -1.54 -0.28 0.00 0.00 0.00 0.00 51.96 50.66 1u53 s ALA 49 Cb -0.11 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 1u53 s ALA 49 CO 0.19 0.50 0.97 -0.47 0.00 0.00 0.00 175.76 176.95 1u53 s TYR 50 N -1.31 3.78 -0.11 0.00 5.04 -1.26 -1.51 117.35 121.97 1u53 s TYR 50 Ca 0.17 1.82 -0.02 0.00 -2.44 0.00 0.00 57.07 56.60 1u53 s TYR 50 Cb -0.09 -3.01 0.04 0.00 0.35 0.00 0.00 41.96 39.24 1u53 s TYR 50 CO 0.08 0.16 0.01 0.34 -1.34 0.00 0.00 175.55 174.80 1u53 s ASP 51 N -1.31 2.03 0.42 4.32 -1.08 0.08 -4.84 116.67 116.28 1u53 s ASP 51 Ca 0.46 -0.33 0.19 0.00 -0.52 0.00 0.00 52.55 52.34 1u53 s ASP 51 Cb -0.24 -0.48 0.91 0.00 -1.46 0.00 0.00 42.92 41.65 1u53 s ASP 51 CO 0.30 -0.23 1.87 0.00 0.52 0.00 0.00 175.17 177.62 1u53 h GLU 53 N 0.00 0.75 -0.52 0.00 4.39 -1.96 -1.73 114.58 115.51 1u53 h GLU 53 Ca -0.00 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.26 1u53 h GLU 53 Cb 0.64 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1u53 h GLU 53 CO 0.04 0.94 -0.08 0.28 -1.16 0.00 0.00 179.01 179.03 1u53 h VAL 54 N 0.64 1.27 -0.81 3.13 2.07 -1.80 -2.43 116.25 118.32 1u53 h VAL 54 Ca 0.08 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.46 1u53 h VAL 54 Cb 0.80 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1u53 h VAL 54 CO 0.07 0.43 0.53 -0.08 0.02 0.00 0.00 177.57 178.53 1u53 h GLU 55 N 0.84 0.78 -0.28 1.57 4.81 -1.15 -1.25 114.58 119.91 1u53 h GLU 55 Ca 0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1u53 h GLU 55 Cb 0.64 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1u53 h GLU 55 CO 0.04 0.52 0.12 -0.22 -0.73 0.00 0.00 179.01 178.74 1u53 h LYS 56 N 0.81 0.42 -0.11 1.92 3.64 -0.85 0.29 116.57 122.69 1u53 h LYS 56 Ca 0.36 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1u53 h LYS 56 Cb 0.36 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1u53 h LYS 56 CO -0.14 0.43 -0.57 1.79 -2.27 0.00 0.00 179.45 178.70 1u53 h THR 57 N 0.31 1.36 -0.61 1.00 1.35 -1.18 -1.36 112.91 113.79 1u53 h THR 57 Ca 0.09 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1u53 h THR 57 Cb 0.16 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 1u53 h THR 57 CO -0.01 0.56 0.39 0.00 -0.25 0.00 0.00 175.52 176.21 1u53 h ALA 58 N 1.15 0.77 -0.66 6.62 0.00 -0.85 -2.48 119.26 123.81 1u53 h ALA 58 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1u53 h ALA 58 Cb 1.07 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1u53 h ALA 58 CO 0.09 0.22 0.28 1.98 0.00 0.00 0.00 179.25 181.82 1u53 h MET 59 N 0.82 0.46 -0.61 0.00 -1.53 -0.19 0.28 114.93 114.16 1u53 h MET 59 Ca 0.22 -0.03 0.09 0.00 -3.44 0.00 0.00 59.70 56.54 1u53 h MET 59 Cb -0.07 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 30.84 1u53 h MET 59 CO -0.05 0.31 0.41 -0.91 0.14 0.00 0.00 176.91 176.81 1u53 h ASN 60 N 0.48 0.43 0.19 1.39 2.35 -0.79 0.14 115.58 119.77 1u53 h ASN 60 Ca 0.33 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1u53 h ASN 60 Cb 0.40 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1u53 h ASN 60 CO -0.30 0.27 -0.09 -1.13 -1.65 0.00 0.00 177.43 174.52 1u53 h ASN 61 N 0.49 -0.22 -0.81 5.81 -0.73 -1.15 -3.36 115.58 115.62 1u53 h ASN 61 Ca 0.28 -0.20 0.16 0.00 1.87 0.00 0.00 56.30 58.41 1u53 h ASN 61 Cb 0.44 0.06 -0.10 0.00 0.27 0.00 0.00 38.32 38.99 1u53 h ASN 61 CO -0.08 0.32 0.34 0.00 -0.37 0.00 0.00 177.43 177.64 1u53 h ALA 62 N -0.71 1.19 0.00 1.57 0.00 -0.55 -1.39 119.26 119.36 1u53 h ALA 62 Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u53 h ALA 62 Cb 0.41 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1u53 h ALA 62 CO 0.04 -0.22 -0.01 0.87 0.00 0.00 0.00 179.25 179.94 1u53 h LYS 63 N 0.46 0.00 0.00 0.00 1.79 -0.87 -1.87 116.57 116.09 1u53 h LYS 63 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1u53 h LYS 63 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1u53 h LYS 63 CO -0.43 0.01 0.00 1.96 -1.08 0.00 0.00 179.45 179.91 1u53 h GLN 64 N 0.00 0.00 -5.34 3.15 4.20 -1.39 -3.47 115.11 112.26 1u53 h GLN 64 Ca -0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 1u53 h GLN 64 Cb 0.21 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.06 1u53 h GLN 64 CO 0.00 0.00 -0.65 0.00 -0.67 0.00 0.00 178.83 177.51 1u53 s VAL 66 N -3.24 1.67 -0.82 0.00 1.01 -1.26 -5.01 120.40 112.75 1u53 s VAL 66 Ca 0.47 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1u53 s VAL 66 Cb -0.22 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 1u53 s VAL 66 CO 0.59 0.48 1.67 0.12 0.00 0.00 0.00 175.10 177.95 1u53 s PHE 67 N 0.93 2.03 -0.27 5.22 5.36 -1.26 -4.88 117.98 125.11 1u53 s PHE 67 Ca -0.07 0.19 -0.25 0.00 -0.96 0.00 0.00 56.93 55.84 1u53 s PHE 67 Cb -0.15 -4.33 0.08 0.00 -0.34 0.00 0.00 43.02 38.28 1u53 s PHE 67 CO -0.02 -2.01 0.80 0.21 -1.46 0.00 0.00 175.22 172.75 1u53 s LYS 68 N 6.28 0.75 0.49 10.12 2.20 -1.26 -5.14 119.74 133.18 1u53 s LYS 68 Ca 0.56 0.88 -0.24 0.00 -0.36 0.00 0.00 55.97 56.81 1u53 s LYS 68 Cb -0.07 0.37 -0.07 0.00 -1.51 0.00 0.00 37.83 36.55 1u53 s LYS 68 CO 0.06 -0.09 1.38 -1.01 -0.36 0.00 0.00 175.35 175.33 1u53 s HIS 69 N 0.31 2.42 0.49 4.03 3.76 -1.26 -5.00 115.29 120.03 1u53 s HIS 69 Ca 0.01 1.32 -0.15 0.00 -0.15 0.00 0.00 55.06 56.10 1u53 s HIS 69 Cb -0.05 -3.84 -0.07 0.00 1.11 0.00 0.00 32.58 29.73 1u53 s HIS 69 CO -0.01 -2.83 0.93 -1.54 -0.85 0.00 0.00 174.74 170.44 1u53 s SER 70 N -0.73 6.58 0.47 1.40 1.04 -1.26 -5.05 113.70 116.15 1u53 s SER 70 Ca 0.65 1.44 -0.20 0.00 0.48 0.00 0.00 55.95 58.32 1u53 s SER 70 Cb -0.42 -2.46 -0.09 0.00 0.10 0.00 0.00 66.02 63.16 1u53 s SER 70 CO 0.52 -0.55 1.02 -1.10 0.98 0.00 0.00 173.24 174.10 1u53 s GLN 71 N -4.07 3.89 0.33 4.02 -1.52 -1.26 -4.95 119.66 116.10 1u53 s GLN 71 Ca 0.57 1.31 0.07 0.00 -1.95 0.00 0.00 55.36 55.36 1u53 s GLN 71 Cb -0.10 -2.11 0.77 0.00 -0.22 0.00 0.00 33.01 31.35 1u53 s GLN 71 CO 0.32 -0.35 1.82 -1.35 -0.25 0.00 0.00 175.29 175.49 1u53 h PRO 72 N 1.62 0.72 0.00 2.91 0.11 -1.96 0.63 132.00 136.04 1u53 h PRO 72 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1u53 h PRO 72 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1u53 h PRO 72 CO 0.59 0.48 0.00 -1.71 -0.21 0.00 0.00 178.00 177.15 1u53 n ASN 73 N -4.66 0.00 -0.92 -2.05 4.05 -1.26 -1.53 115.26 108.90 1u53 n ASN 73 Ca 0.21 0.41 0.12 0.00 0.45 0.00 0.00 54.58 55.77 1u53 n ASN 73 Cb 0.53 -0.45 0.21 0.00 1.23 0.00 0.00 39.78 41.30 1u53 n ASN 73 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1u53 n GLN 74 N -1.45 2.24 -2.84 1.20 6.02 0.21 -4.33 117.38 118.43 1u53 n GLN 74 Ca 0.04 -1.83 -0.11 0.00 -0.01 0.00 0.00 57.00 55.08 1u53 n GLN 74 Cb 0.14 -1.47 0.06 0.00 1.02 0.00 0.00 30.24 29.98 1u53 n GLN 74 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1u53 n ARG 75 N 1.15 1.02 -1.67 -1.09 1.85 -0.58 -4.91 116.66 112.43 1u53 n ARG 75 Ca 0.16 -2.32 -0.47 0.00 -1.00 0.00 0.00 57.85 54.22 1u53 n ARG 75 Cb 0.55 -1.14 -0.04 0.00 -1.05 0.00 0.00 32.46 30.77 1u53 n ARG 75 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1u53 n LYS 76 N 0.27 2.16 -1.01 2.89 5.02 -0.84 -1.09 118.16 125.56 1u53 n LYS 76 Ca 0.10 0.78 -0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1u53 n LYS 76 Cb 0.70 -2.57 -0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1u53 n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u53 n GLY 77 N 3.67 0.47 3.31 0.72 0.00 -1.26 -5.02 105.19 107.08 1u53 n GLY 77 Ca 0.18 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1u53 n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u53 s LEU 78 N -0.09 2.27 0.72 0.99 1.43 -0.25 -2.29 118.68 121.47 1u53 s LEU 78 Ca 0.00 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1u53 s LEU 78 Cb 0.00 -1.02 0.13 0.00 0.03 0.00 0.00 46.19 45.33 1u53 s LEU 78 CO 0.00 0.12 0.99 -0.83 0.23 0.00 0.00 176.35 176.86 1u53 s GLY 79 N -1.77 1.75 -0.27 -3.19 0.00 0.14 -4.76 107.32 99.22 1u53 s GLY 79 Ca 0.09 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.79 1u53 s GLY 79 CO 0.04 -1.23 0.70 1.85 0.00 0.00 0.00 173.10 174.46 1u53 s GLU 80 N -5.13 0.78 -0.03 2.90 2.12 -1.26 -1.73 118.70 116.35 1u53 s GLU 80 Ca 0.67 1.08 0.07 0.00 0.36 0.00 0.00 54.97 57.14 1u53 s GLU 80 Cb -0.05 0.30 -0.01 0.00 0.26 0.00 0.00 34.13 34.63 1u53 s GLU 80 CO 0.44 -0.12 -0.22 -0.80 -0.54 0.00 0.00 175.26 174.02 1u53 s ASN 81 N 0.86 2.63 0.15 -1.70 0.01 -0.43 -5.01 114.94 111.46 1u53 s ASN 81 Ca -0.04 -0.41 0.09 0.00 -0.71 0.00 0.00 52.86 51.78 1u53 s ASN 81 Cb -0.05 -0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.17 1u53 s ASN 81 CO -0.07 0.26 -0.19 0.27 -1.51 0.00 0.00 177.10 175.86 1u53 s ILE 82 N -0.42 1.82 -0.04 0.60 -4.36 -1.26 -1.55 121.20 115.99 1u53 s ILE 82 Ca 0.06 -1.84 -0.17 0.00 -0.26 0.00 0.00 60.65 58.43 1u53 s ILE 82 Cb -0.10 -1.79 0.03 0.00 1.25 0.00 0.00 42.46 41.85 1u53 s ILE 82 CO 0.00 -0.25 0.38 0.12 0.24 0.00 0.00 174.94 175.43 1u53 s PHE 83 N -1.85 -0.30 0.03 1.37 5.36 -0.11 -5.01 117.98 117.47 1u53 s PHE 83 Ca 0.14 0.54 -0.04 0.00 -0.96 0.00 0.00 56.93 56.61 1u53 s PHE 83 Cb -0.07 0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 1u53 s PHE 83 CO 0.06 -0.39 0.05 0.00 -1.46 0.00 0.00 175.22 173.49 1u53 s MET 84 N -1.02 0.48 0.08 10.12 0.23 -1.26 -0.80 119.30 127.14 1u53 s MET 84 Ca -0.11 -0.69 0.06 0.00 -1.03 0.00 0.00 55.69 53.93 1u53 s MET 84 Cb -0.04 0.19 -0.03 0.00 -1.53 0.00 0.00 34.83 33.41 1u53 s MET 84 CO 0.04 -0.11 -0.16 0.45 -2.03 0.00 0.00 175.02 173.21 1u53 s SER 85 N -1.85 1.98 0.00 -1.18 0.15 -0.58 -4.98 113.70 107.23 1u53 s SER 85 Ca -0.09 -0.64 0.24 0.00 0.70 0.00 0.00 55.95 56.15 1u53 s SER 85 Cb -0.04 -0.08 1.05 0.00 -1.71 0.00 0.00 66.02 65.24 1u53 s SER 85 CO -0.03 -0.03 1.77 -1.54 1.20 0.00 0.00 173.24 174.61 1u53 n SER 86 N 1.20 0.00 -4.54 5.45 3.41 -1.26 -0.36 113.62 117.52 1u53 n SER 86 Ca -0.21 0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 58.37 1u53 n SER 86 Cb 0.54 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1u53 n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u53 s ASP 87 N -2.92 6.72 0.26 4.04 -1.08 -1.26 -4.61 116.67 117.81 1u53 s ASP 87 Ca 0.14 -2.09 -0.01 0.00 -0.52 0.00 0.00 52.55 50.06 1u53 s ASP 87 Cb 0.16 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.63 1u53 s ASP 87 CO 0.42 -1.23 1.73 0.28 0.52 0.00 0.00 175.17 176.88 1u53 h SER 88 N 8.51 0.33 -0.48 -0.34 0.02 -1.81 -1.85 113.55 117.92 1u53 h SER 88 Ca 0.31 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1u53 h SER 88 Cb 0.94 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1u53 h SER 88 CO 1.38 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 177.78 1u53 n GLY 89 N -1.33 2.22 3.58 -3.77 0.00 -1.26 -4.38 105.19 100.25 1u53 n GLY 89 Ca 0.17 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1u53 n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1u53 n MET 90 N 0.73 1.24 -1.74 1.61 1.56 -0.69 -4.88 117.12 114.94 1u53 n MET 90 Ca 0.20 0.44 -0.42 0.00 -0.27 0.00 0.00 57.70 57.65 1u53 n MET 90 Cb 0.77 -1.93 -0.02 0.00 2.15 0.00 0.00 33.22 34.20 1u53 n MET 90 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1u53 n ASP 91 N 0.76 3.73 0.16 6.12 2.03 -1.26 -4.82 116.55 123.27 1u53 n ASP 91 Ca 0.10 1.15 0.03 0.00 0.52 0.00 0.00 54.79 56.59 1u53 n ASP 91 Cb 0.38 -1.58 0.41 0.00 -0.72 0.00 0.00 41.12 39.61 1u53 n ASP 91 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1u53 h LYS 92 N 4.63 0.13 -0.01 -0.67 1.57 -1.97 -0.82 116.57 119.42 1u53 h LYS 92 Ca -0.47 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.12 1u53 h LYS 92 Cb 1.23 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1u53 h LYS 92 CO 0.78 0.33 -0.73 0.00 -0.57 0.00 0.00 179.45 179.26 1u53 h ALA 93 N 1.68 0.75 -0.61 3.86 0.00 -1.90 -1.17 119.26 121.87 1u53 h ALA 93 Ca 0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 1u53 h ALA 93 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1u53 h ALA 93 CO 0.03 0.86 0.04 -0.22 0.00 0.00 0.00 179.25 179.96 1u53 h LYS 94 N 0.07 1.05 -0.51 0.00 3.64 -1.79 -1.95 116.57 117.07 1u53 h LYS 94 Ca -0.02 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 1u53 h LYS 94 Cb 1.29 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1u53 h LYS 94 CO 0.10 1.01 0.05 0.00 -2.27 0.00 0.00 179.45 178.35 1u53 h ALA 95 N 1.00 1.13 -0.77 5.00 0.00 -0.95 -0.37 119.26 124.30 1u53 h ALA 95 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1u53 h ALA 95 Cb 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1u53 h ALA 95 CO 0.02 0.57 0.46 0.00 0.00 0.00 0.00 179.25 180.30 1u53 h ALA 96 N 1.28 0.98 -0.32 0.00 0.00 -1.00 -0.14 119.26 120.06 1u53 h ALA 96 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1u53 h ALA 96 Cb 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1u53 h ALA 96 CO 0.01 0.46 0.04 1.49 0.00 0.00 0.00 179.25 181.24 1u53 h GLU 97 N 1.06 0.54 -0.61 0.00 4.81 -0.91 -1.79 114.58 117.68 1u53 h GLU 97 Ca 0.28 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1u53 h GLU 97 Cb -0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1u53 h GLU 97 CO -0.05 0.65 0.03 1.96 -0.73 0.00 0.00 179.01 180.86 1u53 h GLN 98 N 0.36 1.05 -0.45 1.92 4.20 -0.68 -1.08 115.11 120.43 1u53 h GLN 98 Ca 0.10 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 1u53 h GLN 98 Cb 0.38 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1u53 h GLN 98 CO 0.01 1.02 0.06 0.00 -0.67 0.00 0.00 178.83 179.25 1u53 h ALA 99 N 1.00 0.60 -0.54 3.87 0.00 -0.97 -0.93 119.26 122.29 1u53 h ALA 99 Ca 0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1u53 h ALA 99 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1u53 h ALA 99 CO 0.03 0.34 -0.13 0.77 0.00 0.00 0.00 179.25 180.25 1u53 h SER 100 N 0.62 1.04 -0.64 0.00 0.02 -1.13 -0.99 113.55 112.48 1u53 h SER 100 Ca 0.14 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 1u53 h SER 100 Cb 0.40 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1u53 h SER 100 CO 0.01 1.16 0.25 0.11 -1.14 0.00 0.00 176.83 177.22 1u53 h LYS 101 N 0.91 0.97 -0.65 3.45 1.57 -1.07 -1.31 116.57 120.43 1u53 h LYS 101 Ca 0.14 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1u53 h LYS 101 Cb 0.71 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1u53 h LYS 101 CO 0.05 0.82 0.08 0.00 -0.57 0.00 0.00 179.45 179.83 1u53 h ALA 102 N 1.10 0.87 0.10 3.86 0.00 -0.67 0.39 119.26 124.91 1u53 h ALA 102 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1u53 h ALA 102 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1u53 h ALA 102 CO -0.02 0.66 -0.05 -1.49 0.00 0.00 0.00 179.25 178.35 1u53 h TRP 103 N 1.02 -0.13 0.00 0.00 6.55 -1.14 -3.18 115.95 119.07 1u53 h TRP 103 Ca 0.19 -0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.99 1u53 h TRP 103 Cb 0.48 0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.82 1u53 h TRP 103 CO 0.04 0.26 -0.22 0.35 -1.05 0.00 0.00 178.44 177.81 1u53 h PHE 104 N -0.55 0.00 0.00 0.49 3.57 -1.18 -2.88 116.94 116.39 1u53 h PHE 104 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1u53 h PHE 104 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1u53 h PHE 104 CO 0.05 0.22 0.00 0.41 -2.23 0.00 0.00 178.31 176.76 1u53 n GLY 105 N -0.72 -1.06 0.37 2.40 0.00 0.12 -2.22 105.19 104.07 1u53 n GLY 105 Ca -0.02 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1u53 n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u53 h GLU 106 N 0.00 0.55 0.05 1.61 5.08 -1.63 -0.95 114.58 119.29 1u53 h GLU 106 Ca 0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1u53 h GLU 106 Cb 0.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1u53 h GLU 106 CO 0.00 0.36 -0.02 1.25 -1.00 0.00 0.00 179.01 179.60 1u53 h LEU 107 N 0.57 -0.05 -0.41 1.33 5.85 -1.70 -0.62 115.31 120.28 1u53 h LEU 107 Ca 0.37 -0.21 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 1u53 h LEU 107 Cb 0.66 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1u53 h LEU 107 CO -0.14 0.18 -0.51 0.00 -0.34 0.00 0.00 178.44 177.63 1u53 h ALA 108 N 0.65 0.59 0.05 1.25 0.00 -1.59 -0.40 119.26 119.82 1u53 h ALA 108 Ca -0.01 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1u53 h ALA 108 Cb 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1u53 h ALA 108 CO 0.01 0.68 -0.46 1.49 0.00 0.00 0.00 179.25 180.97 1u53 h GLU 109 N 0.59 0.22 0.00 0.00 4.81 -1.18 -3.18 114.58 115.84 1u53 h GLU 109 Ca 0.02 -0.31 -0.33 0.00 -0.13 0.00 0.00 59.36 58.61 1u53 h GLU 109 Cb 1.09 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1u53 h GLU 109 CO 0.11 1.09 -2.06 1.63 -0.73 0.00 0.00 179.01 179.04 1u53 n LYS 110 N -4.34 0.66 0.00 1.92 4.76 -0.25 -4.90 118.16 116.01 1u53 n LYS 110 Ca -0.11 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1u53 n LYS 110 Cb 0.64 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1u53 n LYS 110 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u53 n GLY 111 N 1.69 -1.23 0.98 0.72 0.00 -0.64 -4.69 105.19 102.01 1u53 n GLY 111 Ca -0.26 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.42 1u53 n GLY 111 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u53 n VAL 112 N -0.04 0.56 0.00 1.61 0.31 -1.26 -4.79 118.33 114.71 1u53 n VAL 112 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1u53 n VAL 112 Cb 0.00 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1u53 n VAL 112 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u53 n GLY 113 N 3.13 -3.22 0.08 2.92 0.00 -1.26 -4.74 105.19 102.09 1u53 n GLY 113 Ca -0.02 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 44.00 1u53 n GLY 113 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u53 n GLN 114 N -0.08 0.29 -3.13 1.61 1.13 -1.26 -4.66 117.38 111.28 1u53 n GLN 114 Ca 0.00 0.12 -0.42 0.00 -1.94 0.00 0.00 57.00 54.76 1u53 n GLN 114 Cb 0.00 -1.72 -0.07 0.00 0.11 0.00 0.00 30.24 28.56 1u53 n GLN 114 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1u53 s ASN 115 N -4.33 6.36 0.00 1.08 3.84 -1.26 -4.92 114.94 115.71 1u53 s ASN 115 Ca 0.07 -0.09 0.18 0.00 0.21 0.00 0.00 52.86 53.23 1u53 s ASN 115 Cb 0.13 -2.31 0.51 0.00 -0.55 0.00 0.00 41.25 39.02 1u53 s ASN 115 CO 0.70 -0.65 1.42 0.18 -2.79 0.00 0.00 177.10 175.96 1u53 n LEU 116 N 6.08 2.91 -4.69 3.21 4.77 -1.26 -4.88 117.00 123.14 1u53 n LEU 116 Ca -0.02 -1.42 -0.42 0.00 -0.03 0.00 0.00 56.01 54.12 1u53 n LEU 116 Cb 0.48 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1u53 n LEU 116 CO 0.50 0.71 1.35 -0.75 -1.33 0.00 0.00 177.39 177.88 1u53 s LYS 117 N -1.33 4.19 -1.16 3.23 2.20 -1.26 -1.24 119.74 124.37 1u53 s LYS 117 Ca 0.37 2.36 -0.21 0.00 -0.36 0.00 0.00 55.97 58.13 1u53 s LYS 117 Cb 0.20 -3.65 0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1u53 s LYS 117 CO 0.26 -0.76 1.67 -1.17 -0.36 0.00 0.00 175.35 175.00 1u53 s LEU 118 N 2.81 3.59 0.56 5.43 2.96 -0.05 -4.87 118.68 129.11 1u53 s LEU 118 Ca 0.75 -1.89 -0.07 0.00 -0.22 0.00 0.00 54.13 52.71 1u53 s LEU 118 Cb -0.40 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 1u53 s LEU 118 CO 0.33 -1.61 0.89 0.42 -1.32 0.00 0.00 176.35 175.06 1u53 s THR 119 N 5.65 4.19 0.26 3.68 -4.23 -1.26 -0.98 115.64 122.95 1u53 s THR 119 Ca 0.54 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1u53 s THR 119 Cb 0.01 -3.64 0.25 0.00 1.34 0.00 0.00 72.50 70.46 1u53 s THR 119 CO 0.02 -0.69 1.85 1.23 -0.54 0.00 0.00 174.62 176.49 1u53 h GLY 120 N -0.09 1.46 1.09 3.99 0.00 -2.00 -0.16 103.07 107.37 1u53 h GLY 120 Ca -0.46 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.41 1u53 h GLY 120 CO 0.61 0.24 0.29 -1.33 0.00 0.00 0.00 176.54 176.35 1u53 h GLY 121 N 1.01 1.24 0.65 4.60 0.00 -1.97 -0.77 103.07 107.83 1u53 h GLY 121 Ca 0.43 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1u53 h GLY 121 CO -0.21 0.64 -0.03 -2.00 0.00 0.00 0.00 176.54 174.94 1u53 h LEU 122 N 1.12 0.14 -0.85 3.11 5.85 -1.42 -3.02 115.31 120.24 1u53 h LEU 122 Ca 0.25 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1u53 h LEU 122 Cb 0.23 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1u53 h LEU 122 CO -0.02 0.53 0.54 0.15 -0.34 0.00 0.00 178.44 179.30 1u53 h PHE 123 N -0.25 1.02 0.00 1.25 3.57 -1.02 0.08 116.94 121.59 1u53 h PHE 123 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1u53 h PHE 123 Cb 0.47 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1u53 h PHE 123 CO 0.07 0.58 0.00 -1.13 -2.23 0.00 0.00 178.31 175.60 1u53 n SER 124 N -4.56 0.05 0.00 0.41 3.41 -0.31 -0.13 113.62 112.49 1u53 n SER 124 Ca 0.10 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.34 1u53 n SER 124 Cb 0.09 -0.53 0.44 0.00 -0.26 0.00 0.00 64.21 63.96 1u53 n SER 124 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1u53 n ARG 125 N -1.57 0.00 -2.24 4.33 1.74 0.02 -4.90 116.66 114.04 1u53 n ARG 125 Ca 0.01 0.15 -0.01 0.00 -0.77 0.00 0.00 57.85 57.22 1u53 n ARG 125 Cb 0.04 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1u53 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u53 n GLY 126 N 0.65 0.61 0.47 -0.13 0.00 0.81 -4.86 105.19 102.73 1u53 n GLY 126 Ca 0.05 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1u53 n GLY 126 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u53 n VAL 127 N -1.70 1.08 0.37 1.61 0.24 -1.24 -4.76 118.33 113.93 1u53 n VAL 127 Ca -0.01 -1.06 0.14 0.00 -2.04 0.00 0.00 64.34 61.37 1u53 n VAL 127 Cb 0.50 0.45 0.52 0.00 -1.47 0.00 0.00 33.84 33.85 1u53 n VAL 127 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1u53 h GLY 128 N 1.42 0.00 0.60 7.63 0.00 -1.91 -1.35 103.07 109.46 1u53 h GLY 128 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1u53 h GLY 128 CO 0.01 0.00 -0.60 0.45 0.00 0.00 0.00 176.54 176.40 1u53 h HIS 129 N 0.00 0.46 -0.37 5.60 3.86 -1.85 -2.96 115.15 119.89 1u53 h HIS 129 Ca 0.00 -0.30 0.06 0.00 -1.16 0.00 0.00 60.37 58.97 1u53 h HIS 129 Cb 0.51 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 1u53 h HIS 129 CO 0.00 1.19 0.01 -0.92 0.86 0.00 0.00 177.93 179.07 1u53 h TYR 130 N -0.40 0.01 -0.12 2.45 3.20 -1.28 -2.40 116.97 118.43 1u53 h TYR 130 Ca -0.10 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 1u53 h TYR 130 Cb 1.41 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 1u53 h TYR 130 CO 0.19 -0.05 -0.15 1.79 -1.64 0.00 0.00 178.16 178.30 1u53 h THR 131 N 0.12 1.18 -0.32 1.81 1.35 -1.34 -0.51 112.91 115.19 1u53 h THR 131 Ca 0.18 -0.79 -0.14 0.00 -0.55 0.00 0.00 66.41 65.11 1u53 h THR 131 Cb 0.24 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 1u53 h THR 131 CO -0.29 0.24 -0.38 -0.61 -0.25 0.00 0.00 175.52 174.24 1u53 h GLN 132 N 0.18 0.76 -0.66 4.72 5.75 -1.36 -1.89 115.11 122.60 1u53 h GLN 132 Ca 0.04 -0.38 -0.03 0.00 -0.15 0.00 0.00 58.65 58.12 1u53 h GLN 132 Cb 0.38 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1u53 h GLN 132 CO 0.02 1.00 0.29 0.52 -2.65 0.00 0.00 178.83 178.02 1u53 h MET 133 N 0.62 0.96 -0.44 1.69 2.86 -0.60 -2.93 114.93 117.10 1u53 h MET 133 Ca 0.06 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1u53 h MET 133 Cb 0.92 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1u53 h MET 133 CO 0.08 0.76 0.04 1.33 1.06 0.00 0.00 176.91 180.19 1u53 n VAL 134 N -4.32 2.56 -2.01 -2.22 0.24 -0.79 -4.83 118.33 106.96 1u53 n VAL 134 Ca 0.06 -1.77 -0.42 0.00 -2.04 0.00 0.00 64.34 60.17 1u53 n VAL 134 Cb 0.16 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.21 1u53 n VAL 134 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1u53 s TRP 135 N -2.88 2.17 0.18 6.34 -0.11 -0.71 -4.67 118.94 119.26 1u53 s TRP 135 Ca 0.48 0.28 -0.13 0.00 1.22 0.00 0.00 56.10 57.96 1u53 s TRP 135 Cb 0.39 -3.90 0.17 0.00 -1.50 0.00 0.00 33.47 28.63 1u53 s TRP 135 CO 0.11 -3.72 1.74 0.37 -4.62 0.00 0.00 176.95 170.83 1u53 h GLN 136 N 9.06 0.32 -0.00 5.86 4.15 -1.50 -2.09 115.11 130.91 1u53 h GLN 136 Ca -0.40 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1u53 h GLN 136 Cb 1.18 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1u53 h GLN 136 CO 0.94 0.21 -0.08 0.39 -1.93 0.00 0.00 178.83 178.36 1u53 n GLU 137 N -5.03 0.78 -2.82 1.69 -0.58 -1.26 -3.55 120.64 109.87 1u53 n GLU 137 Ca 0.05 -0.25 -0.42 0.00 -0.42 0.00 0.00 57.16 56.12 1u53 n GLU 137 Cb 0.21 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.55 1u53 n GLU 137 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1u53 s THR 138 N -2.39 4.79 0.00 2.62 2.01 -0.79 -4.30 115.64 117.58 1u53 s THR 138 Ca 0.32 1.71 0.00 0.00 0.31 0.00 0.00 61.69 64.03 1u53 s THR 138 Cb 0.20 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1u53 s THR 138 CO 0.45 -0.10 0.41 1.33 -0.69 0.00 0.00 174.62 176.02 1u53 n VAL 139 N 5.25 0.14 -5.10 3.82 0.24 -0.05 -4.71 118.33 117.92 1u53 n VAL 139 Ca 0.07 -0.36 -0.29 0.00 -2.04 0.00 0.00 64.34 61.73 1u53 n VAL 139 Cb 0.47 1.25 -0.16 0.00 -1.47 0.00 0.00 33.84 33.93 1u53 n VAL 139 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1u53 s LYS 140 N -0.14 2.13 -0.01 7.34 1.02 -0.07 -1.16 119.74 128.84 1u53 s LYS 140 Ca 0.00 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.24 1u53 s LYS 140 Cb 0.00 -1.88 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 1u53 s LYS 140 CO 0.00 0.37 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.50 1u53 s LEU 141 N -0.21 1.99 -0.16 3.17 2.96 -0.57 -1.16 118.68 124.71 1u53 s LEU 141 Ca -0.00 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.56 1u53 s LEU 141 Cb -0.12 -0.68 0.05 0.00 0.50 0.00 0.00 46.19 45.94 1u53 s LEU 141 CO 0.02 0.15 0.39 -0.83 -1.32 0.00 0.00 176.35 174.76 1u53 s GLY 142 N -0.23 -0.30 0.18 7.98 0.00 -0.83 -0.74 107.32 113.38 1u53 s GLY 142 Ca 0.04 1.33 0.01 0.00 0.00 0.00 0.00 44.72 46.10 1u53 s GLY 142 CO -0.00 1.37 0.03 0.00 0.00 0.00 0.00 173.10 174.51 1u53 s TYR 144 N -3.78 -0.16 -0.16 0.00 5.04 0.19 -4.79 117.35 113.69 1u53 s TYR 144 Ca 0.27 0.37 0.01 0.00 -2.44 0.00 0.00 57.07 55.29 1u53 s TYR 144 Cb 0.07 0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.44 1u53 s TYR 144 CO 0.05 -0.16 -0.19 0.08 -1.34 0.00 0.00 175.55 173.99 1u53 s VAL 145 N -0.31 2.25 -0.09 3.14 1.01 -1.26 -1.27 120.40 123.86 1u53 s VAL 145 Ca -0.04 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1u53 s VAL 145 Cb -0.03 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1u53 s VAL 145 CO 0.01 0.53 -0.19 -0.70 0.00 0.00 0.00 175.10 174.75 1u53 s GLU 146 N 0.99 2.92 -0.76 2.72 2.56 0.20 -4.83 118.70 122.51 1u53 s GLU 146 Ca -0.02 -0.80 -0.20 0.00 0.00 0.00 0.00 54.97 53.95 1u53 s GLU 146 Cb -0.15 -2.38 0.10 0.00 2.00 0.00 0.00 34.13 33.71 1u53 s GLU 146 CO -0.05 0.32 1.00 0.00 -0.56 0.00 0.00 175.26 175.97 1u53 s ALA 147 N 0.02 3.26 0.85 6.30 0.00 -1.26 -0.78 121.76 130.15 1u53 s ALA 147 Ca -0.07 -2.28 -0.09 0.00 0.00 0.00 0.00 51.96 49.52 1u53 s ALA 147 Cb -0.15 -3.89 0.16 0.00 0.00 0.00 0.00 23.12 19.24 1u53 s ALA 147 CO 0.05 -2.81 1.18 0.00 0.00 0.00 0.00 175.76 174.18 1u53 h SER 149 N -1.14 0.93 0.00 0.00 0.02 -1.95 -3.30 113.55 108.12 1u53 h SER 149 Ca -0.41 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1u53 h SER 149 Cb 1.25 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1u53 h SER 149 CO 0.40 0.73 -0.01 0.59 -1.14 0.00 0.00 176.83 177.40 1u53 n ASN 150 N -4.48 1.68 -3.49 3.07 4.13 -1.26 -4.93 115.26 109.98 1u53 n ASN 150 Ca 0.07 -1.97 -0.13 0.00 1.68 0.00 0.00 54.58 54.23 1u53 n ASN 150 Cb 0.06 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1u53 n ASN 150 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u53 s MET 151 N -1.04 1.18 -0.28 3.52 0.23 -1.24 -4.72 119.30 116.95 1u53 s MET 151 Ca 0.04 -0.34 -0.13 0.00 -1.03 0.00 0.00 55.69 54.22 1u53 s MET 151 Cb 0.03 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 33.84 1u53 s MET 151 CO 0.00 -0.48 0.29 0.00 -2.03 0.00 0.00 175.02 172.81 1u53 s TYR 153 N 1.93 2.83 -0.09 0.00 5.04 0.04 -1.53 117.35 125.56 1u53 s TYR 153 Ca 0.11 -0.97 0.04 0.00 -2.44 0.00 0.00 57.07 53.81 1u53 s TYR 153 Cb -0.16 -1.93 -0.01 0.00 0.35 0.00 0.00 41.96 40.21 1u53 s TYR 153 CO 0.11 -0.46 -0.22 0.08 -1.34 0.00 0.00 175.55 173.72 1u53 s VAL 154 N 0.90 2.25 -0.07 3.14 1.01 0.02 -0.63 120.40 127.03 1u53 s VAL 154 Ca -0.03 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1u53 s VAL 154 Cb -0.15 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1u53 s VAL 154 CO -0.01 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.87 1u53 s VAL 155 N 0.17 0.91 -0.04 2.92 1.01 -0.40 -0.93 120.40 124.05 1u53 s VAL 155 Ca -0.13 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1u53 s VAL 155 Cb -0.16 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1u53 s VAL 155 CO 0.07 0.31 -0.13 0.00 0.00 0.00 0.00 175.10 175.35 1u53 s GLN 157 N -0.86 1.87 -0.06 0.00 -0.21 0.56 -1.31 119.66 119.65 1u53 s GLN 157 Ca 0.12 -1.81 -0.03 0.00 0.02 0.00 0.00 55.36 53.67 1u53 s GLN 157 Cb -0.11 -1.81 0.04 0.00 1.00 0.00 0.00 33.01 32.13 1u53 s GLN 157 CO 0.02 0.21 0.12 0.71 -2.12 0.00 0.00 175.29 174.23 1u53 s TYR 158 N -2.54 -0.09 0.08 0.91 2.02 -0.71 -1.96 117.35 115.07 1u53 s TYR 158 Ca 0.32 0.45 0.08 0.00 -0.37 0.00 0.00 57.07 57.55 1u53 s TYR 158 Cb -0.01 -0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.21 1u53 s TYR 158 CO 0.17 -0.22 -0.18 0.20 -1.57 0.00 0.00 175.55 173.96 1u53 s GLY 159 N 2.01 1.64 0.80 0.71 0.00 -0.31 0.26 107.32 112.42 1u53 s GLY 159 Ca 0.01 -1.26 -0.17 0.00 0.00 0.00 0.00 44.72 43.29 1u53 s GLY 159 CO -0.05 -1.20 -0.53 -1.55 0.00 0.00 0.00 173.10 169.78 1u53 n PRO 160 N 1.19 0.00 -1.76 2.90 -0.05 -1.26 -0.87 135.00 135.15 1u53 n PRO 160 Ca -0.16 0.00 -0.41 0.00 -0.05 0.00 0.00 63.50 62.88 1u53 n PRO 160 Cb 0.52 -1.00 0.00 0.00 -0.05 0.00 0.00 33.50 32.98 1u53 n PRO 160 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1u53 n ALA 161 N -2.09 2.11 -1.97 0.55 0.00 -0.97 -4.37 120.51 113.76 1u53 n ALA 161 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1u53 n ALA 161 Cb 0.52 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1u53 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u53 n GLY 162 N 0.54 1.73 3.72 0.00 0.00 -1.26 -4.78 105.19 105.14 1u53 n GLY 162 Ca 0.03 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.77 1u53 n GLY 162 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u53 n ASN 163 N -0.14 -5.32 -4.66 1.61 3.02 -1.26 -4.90 115.26 103.60 1u53 n ASN 163 Ca 0.00 -0.65 -0.43 0.00 -0.03 0.00 0.00 54.58 53.47 1u53 n ASN 163 Cb 0.00 -4.54 -0.02 0.00 -0.61 0.00 0.00 39.78 34.61 1u53 n ASN 163 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1u53 s MET 164 N -6.38 4.26 0.12 3.52 -1.94 -1.26 -4.97 119.30 112.65 1u53 s MET 164 Ca 0.56 1.41 -0.35 0.00 -1.71 0.00 0.00 55.69 55.60 1u53 s MET 164 Cb -0.26 -3.65 -0.15 0.00 2.01 0.00 0.00 34.83 32.77 1u53 s MET 164 CO 0.77 -0.62 1.48 -0.12 -0.01 0.00 0.00 175.02 176.51 1u53 n MET 165 N 6.29 1.67 -0.28 2.03 1.56 -1.26 -1.90 117.12 125.23 1u53 n MET 165 Ca 0.12 0.60 0.00 0.00 -0.27 0.00 0.00 57.70 58.16 1u53 n MET 165 Cb 0.46 -2.31 0.00 0.00 2.15 0.00 0.00 33.22 33.51 1u53 n MET 165 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1u53 n GLY 166 N 3.03 1.97 3.97 -5.12 0.00 -0.15 -4.99 105.19 103.90 1u53 n GLY 166 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1u53 n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u53 s LYS 167 N -0.17 3.33 0.24 1.61 -0.14 -0.80 -4.56 119.74 119.24 1u53 s LYS 167 Ca 0.00 -0.85 -0.29 0.00 -1.36 0.00 0.00 55.97 53.48 1u53 s LYS 167 Cb 0.00 -2.86 -0.09 0.00 -1.68 0.00 0.00 37.83 33.20 1u53 s LYS 167 CO 0.00 0.31 0.91 -0.51 -0.76 0.00 0.00 175.35 175.30 1u53 s ASP 168 N -4.04 7.56 0.12 2.83 1.01 -1.26 -0.87 116.67 122.02 1u53 s ASP 168 Ca 0.38 1.88 -0.18 0.00 0.71 0.00 0.00 52.55 55.33 1u53 s ASP 168 Cb -0.09 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1u53 s ASP 168 CO 0.30 0.14 1.71 0.40 0.21 0.00 0.00 175.17 177.93 1u53 h ILE 169 N 3.11 1.14 -3.57 0.77 2.04 -1.55 -3.45 117.51 115.99 1u53 h ILE 169 Ca -0.46 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 1u53 h ILE 169 Cb 1.20 0.86 -0.12 0.00 -0.74 0.00 0.00 36.82 38.02 1u53 h ILE 169 CO 0.67 0.14 -0.15 -0.72 0.00 0.00 0.00 178.15 178.09 1u53 s TYR 170 N -5.81 0.08 0.01 1.37 -0.85 -1.26 -1.22 117.35 109.68 1u53 s TYR 170 Ca -0.13 -0.43 -0.30 0.00 -0.52 0.00 0.00 57.07 55.68 1u53 s TYR 170 Cb 0.09 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 1u53 s TYR 170 CO 0.72 -0.78 1.13 -2.00 -1.52 0.00 0.00 175.55 173.10 1u53 s GLU 171 N -3.90 4.45 0.26 -3.49 2.12 -1.26 -4.94 118.70 111.94 1u53 s GLU 171 Ca 0.11 1.64 -0.23 0.00 0.36 0.00 0.00 54.97 56.84 1u53 s GLU 171 Cb 0.02 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 1u53 s GLU 171 CO -0.04 -0.24 0.83 0.15 -0.54 0.00 0.00 175.26 175.41 1u53 s LYS 172 N 1.31 4.44 0.00 4.30 1.02 -1.26 -1.12 119.74 128.43 1u53 s LYS 172 Ca 0.56 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.65 1u53 s LYS 172 Cb -0.26 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1u53 s LYS 172 CO 0.27 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 1u53 n GLY 173 N 0.78 -0.82 3.78 -3.33 0.00 -0.68 -4.49 105.19 100.43 1u53 n GLY 173 Ca -0.01 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1u53 n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u53 s GLU 174 N -1.93 4.14 0.19 1.61 0.41 -1.26 -2.74 118.70 119.11 1u53 s GLU 174 Ca 0.00 2.53 -0.32 0.00 -0.41 0.00 0.00 54.97 56.77 1u53 s GLU 174 Cb 0.00 -2.98 -0.15 0.00 -1.78 0.00 0.00 34.13 29.22 1u53 s GLU 174 CO 0.00 -0.50 1.23 -2.30 -0.49 0.00 0.00 175.26 173.20 1u53 n PRO 175 N 0.60 1.39 -0.84 0.39 -0.02 -1.23 -1.45 135.00 133.84 1u53 n PRO 175 Ca 0.01 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1u53 n PRO 175 Cb 0.39 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1u53 n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u53 h SER 177 N 0.00 0.00 -0.14 0.00 4.64 -0.81 -1.32 113.55 115.92 1u53 h SER 177 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1u53 h SER 177 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1u53 h SER 177 CO 0.00 0.00 -0.28 0.29 -0.87 0.00 0.00 176.83 175.97 1u53 n LYS 178 N -2.75 1.71 -4.67 4.77 4.76 -0.58 -5.00 118.16 116.39 1u53 n LYS 178 Ca 0.01 -3.17 -0.28 0.00 -2.87 0.00 0.00 58.31 51.99 1u53 n LYS 178 Cb 0.25 -1.69 -0.17 0.00 -1.84 0.00 0.00 35.03 31.58 1u53 n LYS 178 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u53 n GLU 180 N 3.93 0.33 -3.66 0.00 0.28 -1.26 -4.54 120.64 115.72 1u53 n GLU 180 Ca -0.20 -0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.52 1u53 n GLU 180 Cb 0.52 -1.61 -0.10 0.00 1.43 0.00 0.00 31.44 31.68 1u53 n GLU 180 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1u53 n ASN 181 N -2.03 3.14 -4.77 -1.84 3.02 -1.23 -5.06 115.26 106.49 1u53 n ASN 181 Ca 0.01 -3.27 -0.36 0.00 -0.03 0.00 0.00 54.58 50.94 1u53 n ASN 181 Cb 0.45 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 1u53 n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u53 s ASP 183 N 0.00 6.23 0.24 0.00 -1.08 0.17 -4.90 116.67 117.32 1u53 s ASP 183 Ca 0.13 -1.29 0.00 0.00 -0.52 0.00 0.00 52.55 50.87 1u53 s ASP 183 Cb -0.12 -2.37 0.28 0.00 -1.46 0.00 0.00 42.92 39.25 1u53 s ASP 183 CO 0.02 -1.26 1.63 0.11 0.52 0.00 0.00 175.17 176.18 1u53 h LYS 184 N 9.32 0.51 -0.77 4.34 1.79 -1.97 0.59 116.57 130.39 1u53 h LYS 184 Ca -0.25 -0.24 0.07 0.00 -2.18 0.00 0.00 60.65 58.06 1u53 h LYS 184 Cb 1.07 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.65 1u53 h LYS 184 CO 1.14 0.81 0.44 0.93 -1.08 0.00 0.00 179.45 181.68 1u53 h GLU 185 N 0.43 0.75 -0.00 3.15 4.39 -1.96 -3.25 114.58 118.09 1u53 h GLU 185 Ca 0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u53 h GLU 185 Cb 0.85 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1u53 h GLU 185 CO 0.07 0.50 -0.61 1.63 -1.16 0.00 0.00 179.01 179.44 1u53 n LYS 186 N -4.74 1.66 -2.13 2.33 5.02 -0.96 -4.97 118.16 114.36 1u53 n LYS 186 Ca 0.11 -0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 55.97 1u53 n LYS 186 Cb 0.22 -1.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 1u53 n LYS 186 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u53 n GLY 187 N 1.31 0.03 3.46 0.72 0.00 0.16 -4.63 105.19 106.24 1u53 n GLY 187 Ca 0.05 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1u53 n GLY 187 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u53 s LEU 188 N -3.39 2.65 -0.11 0.99 1.43 -1.08 -4.42 118.68 114.74 1u53 s LEU 188 Ca 0.00 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 1u53 s LEU 188 Cb 0.00 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 1u53 s LEU 188 CO 0.00 0.31 0.32 0.00 0.23 0.00 0.00 176.35 177.21 1u53 h SER 190 N 6.03 0.76 0.00 0.00 0.02 -1.39 0.13 113.55 119.10 1u53 h SER 190 Ca -0.45 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 59.75 1u53 h SER 190 Cb 1.19 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1u53 h SER 190 CO 0.70 1.41 0.00 0.00 -1.14 0.00 0.00 176.83 177.80