#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q53 s SER 2 N 0.00 -0.48 -0.00 1.61 0.01 -1.26 -5.16 113.70 108.41 1q53 s SER 2 Ca 0.00 0.68 0.05 0.00 1.31 0.00 0.00 55.95 57.99 1q53 s SER 2 Cb 0.00 0.69 -0.03 0.00 0.21 0.00 0.00 66.02 66.89 1q53 s SER 2 CO 0.00 -0.40 -0.15 -1.00 0.41 0.00 0.00 173.24 172.10 1q53 s HIS 3 N -0.66 2.67 -0.13 2.43 4.02 -1.26 -5.06 115.29 117.30 1q53 s HIS 3 Ca -0.08 -0.18 -0.29 0.00 1.02 0.00 0.00 55.06 55.53 1q53 s HIS 3 Cb -0.03 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.58 29.91 1q53 s HIS 3 CO 0.05 0.24 2.14 -0.12 1.02 0.00 0.00 174.74 178.07 1q53 n MET 4 N 1.85 2.28 -3.40 1.40 0.00 -1.26 -4.94 117.12 113.05 1q53 n MET 4 Ca -0.16 0.71 -0.38 0.00 -0.00 0.00 0.00 57.70 57.87 1q53 n MET 4 Cb 0.52 -3.16 -0.08 0.00 0.00 0.00 0.00 33.22 30.50 1q53 n MET 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1q53 s GLU 5 N 5.72 4.12 -0.24 2.12 2.02 -1.26 -5.06 118.70 126.12 1q53 s GLU 5 Ca 0.97 0.13 -0.08 0.00 0.02 0.00 0.00 54.97 56.02 1q53 s GLU 5 Cb -0.37 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.25 1q53 s GLU 5 CO 0.38 -0.11 0.08 -1.21 0.02 0.00 0.00 175.26 174.41 1q53 s GLU 6 N 1.56 3.73 0.37 1.61 2.02 -1.26 -4.99 118.70 121.73 1q53 s GLU 6 Ca 0.17 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1q53 s GLU 6 Cb -0.15 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1q53 s GLU 6 CO 0.08 -0.12 0.00 0.00 0.02 0.00 0.00 175.26 175.24 1q53 n ALA 7 N 4.73 -3.49 -2.59 5.21 0.00 -1.26 -4.79 120.51 118.32 1q53 n ALA 7 Ca -0.16 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1q53 n ALA 7 Cb 0.52 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1q53 n ALA 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q53 n LYS 8 N -4.09 0.82 -3.91 0.00 5.02 -1.26 -5.12 118.16 109.62 1q53 n LYS 8 Ca -0.01 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 1q53 n LYS 8 Cb 0.62 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q53 n GLY 9 N -0.22 -2.61 1.24 0.72 0.00 -1.26 -4.84 105.19 98.22 1q53 n GLY 9 Ca -0.01 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 1q53 n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1q53 n PRO 10 N -0.79 -1.08 -5.03 1.61 -0.04 -1.26 -5.11 135.00 123.30 1q53 n PRO 10 Ca 0.00 -0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 62.50 1q53 n PRO 10 Cb 0.00 -0.51 -0.15 0.00 -0.04 0.00 0.00 33.50 32.80 1q53 n PRO 10 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1q53 s VAL 11 N -1.83 2.61 -0.15 0.52 1.01 -1.26 -4.83 120.40 116.47 1q53 s VAL 11 Ca 0.25 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1q53 s VAL 11 Cb -0.01 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1q53 s VAL 11 CO 0.18 0.56 -0.10 -0.54 0.00 0.00 0.00 175.10 175.20 1q53 s LYS 12 N -0.19 3.43 -0.11 2.72 1.02 -0.86 -4.31 119.74 121.43 1q53 s LYS 12 Ca -0.01 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.30 1q53 s LYS 12 Cb -0.13 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 1q53 s LYS 12 CO 0.03 0.15 0.01 -1.58 -0.92 0.00 0.00 175.35 173.04 1q53 s HIS 13 N 0.53 3.17 -0.16 3.18 5.65 -1.26 0.14 115.29 126.54 1q53 s HIS 13 Ca -0.07 0.12 -0.06 0.00 0.25 0.00 0.00 55.06 55.30 1q53 s HIS 13 Cb -0.15 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.35 1q53 s HIS 13 CO 0.04 0.37 0.03 0.08 -0.65 0.00 0.00 174.74 174.60 1q53 s VAL 14 N -0.54 4.51 -0.03 0.89 1.01 0.47 -3.82 120.40 122.89 1q53 s VAL 14 Ca 0.09 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1q53 s VAL 14 Cb -0.12 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1q53 s VAL 14 CO 0.02 0.49 -0.09 -0.22 0.00 0.00 0.00 175.10 175.30 1q53 s LEU 15 N 0.22 1.77 -0.02 3.92 1.98 0.34 -1.09 118.68 125.80 1q53 s LEU 15 Ca 0.02 -0.19 0.07 0.00 -2.89 0.00 0.00 54.13 51.14 1q53 s LEU 15 Cb -0.13 -0.56 -0.02 0.00 0.66 0.00 0.00 46.19 46.15 1q53 s LEU 15 CO 0.01 0.06 -0.23 -0.22 -1.89 0.00 0.00 176.35 174.08 1q53 s LEU 16 N 0.23 2.04 -0.09 -0.68 1.98 -0.31 0.15 118.68 122.00 1q53 s LEU 16 Ca -0.04 -0.43 -0.08 0.00 -2.89 0.00 0.00 54.13 50.69 1q53 s LEU 16 Cb -0.09 -1.22 0.03 0.00 0.66 0.00 0.00 46.19 45.57 1q53 s LEU 16 CO 0.01 0.28 0.25 0.00 -1.89 0.00 0.00 176.35 175.00 1q53 s ALA 17 N -0.50 -0.61 -0.02 5.97 0.00 -1.18 -1.85 121.76 123.57 1q53 s ALA 17 Ca 0.08 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.80 1q53 s ALA 17 Cb -0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1q53 s ALA 17 CO -0.00 -0.12 -0.13 -1.12 0.00 0.00 0.00 175.76 174.38 1q53 s SER 18 N 0.24 1.64 -0.36 0.00 0.01 -0.98 -4.13 113.70 110.12 1q53 s SER 18 Ca -0.01 -0.26 -0.21 0.00 1.31 0.00 0.00 55.95 56.79 1q53 s SER 18 Cb -0.03 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1q53 s SER 18 CO -0.01 0.14 0.65 -0.36 0.41 0.00 0.00 173.24 174.07 1q53 s PHE 19 N -0.10 3.14 0.82 2.43 0.08 -1.26 0.10 117.98 123.20 1q53 s PHE 19 Ca 0.01 0.34 -0.17 0.00 0.12 0.00 0.00 56.93 57.23 1q53 s PHE 19 Cb -0.08 -3.17 -0.15 0.00 -0.57 0.00 0.00 43.02 39.06 1q53 s PHE 19 CO 0.00 -0.65 -0.54 1.63 -0.10 0.00 0.00 175.22 175.56 1q53 n LYS 20 N 6.08 0.00 -2.68 0.44 5.02 -1.26 -4.81 118.16 120.95 1q53 n LYS 20 Ca -0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 1q53 n LYS 20 Cb 0.48 -1.01 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 1q53 n LYS 20 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1q53 s ASP 21 N -1.01 7.16 0.00 4.39 2.15 -1.26 -3.56 116.67 124.53 1q53 s ASP 21 Ca 0.46 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.88 1q53 s ASP 21 Cb -0.30 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 1q53 s ASP 21 CO 0.77 -0.57 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 1q53 n GLY 22 N 3.23 1.76 3.71 2.66 0.00 -1.26 -5.10 105.19 110.19 1q53 n GLY 22 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1q53 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q53 s VAL 23 N -2.00 5.25 0.57 1.61 1.01 -1.23 -5.06 120.40 120.54 1q53 s VAL 23 Ca 0.00 0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 1q53 s VAL 23 Cb 0.00 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1q53 s VAL 23 CO 0.00 0.45 0.87 -1.20 0.00 0.00 0.00 175.10 175.22 1q53 n SER 24 N 3.50 0.42 0.03 3.32 7.64 -1.26 -4.90 113.62 122.38 1q53 n SER 24 Ca -0.16 0.82 -0.17 0.00 1.01 0.00 0.00 58.87 60.37 1q53 n SER 24 Cb 0.52 -1.33 -0.07 0.00 -1.01 0.00 0.00 64.21 62.32 1q53 n SER 24 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1q53 h PRO 25 N 0.58 0.64 -0.22 1.43 0.13 -1.99 -2.78 132.00 129.79 1q53 h PRO 25 Ca -0.47 -0.62 0.01 0.00 -0.87 0.00 0.00 66.00 64.05 1q53 h PRO 25 Cb 1.37 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.65 1q53 h PRO 25 CO 0.51 1.23 0.15 0.93 -0.23 0.00 0.00 178.00 180.59 1q53 h GLU 26 N 0.39 0.24 0.01 0.86 5.08 -1.99 0.47 114.58 119.63 1q53 h GLU 26 Ca -0.09 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.06 1q53 h GLU 26 Cb 1.56 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 1q53 h GLU 26 CO 0.18 0.16 -0.88 -0.22 -1.00 0.00 0.00 179.01 177.24 1q53 h LYS 27 N 0.24 0.10 0.13 2.33 1.63 -1.92 -1.86 116.57 117.23 1q53 h LYS 27 Ca 0.09 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1q53 h LYS 27 Cb 0.06 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1q53 h LYS 27 CO -0.02 0.92 -0.06 0.82 -3.45 0.00 0.00 179.45 177.66 1q53 h ILE 28 N 0.05 1.01 -0.22 2.00 2.04 -0.69 0.36 117.51 122.07 1q53 h ILE 28 Ca -0.03 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1q53 h ILE 28 Cb 1.53 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1q53 h ILE 28 CO 0.13 0.15 -0.06 1.05 0.00 0.00 0.00 178.15 179.41 1q53 h GLU 29 N -0.47 0.33 -0.45 2.37 4.11 -1.17 -1.16 114.58 118.14 1q53 h GLU 29 Ca -0.02 -0.07 -0.12 0.00 0.07 0.00 0.00 59.36 59.22 1q53 h GLU 29 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1q53 h GLU 29 CO 0.03 0.42 -0.21 0.93 0.07 0.00 0.00 179.01 180.25 1q53 h GLU 30 N 0.32 0.91 0.02 1.06 4.39 -1.12 0.36 114.58 120.52 1q53 h GLU 30 Ca 0.07 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1q53 h GLU 30 Cb 0.32 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1q53 h GLU 30 CO 0.01 1.03 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.81 1q53 h LEU 31 N 0.79 -0.03 -1.12 1.33 3.38 -0.29 -0.99 115.31 118.37 1q53 h LEU 31 Ca 0.11 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1q53 h LEU 31 Cb 0.76 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1q53 h LEU 31 CO 0.06 0.30 0.15 0.40 0.09 0.00 0.00 178.44 179.44 1q53 h ILE 32 N -0.36 1.21 -0.88 1.22 2.04 -1.18 -0.03 117.51 119.54 1q53 h ILE 32 Ca -0.00 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1q53 h ILE 32 Cb 0.34 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1q53 h ILE 32 CO 0.01 0.27 0.54 0.11 0.00 0.00 0.00 178.15 179.08 1q53 h LYS 33 N 0.75 1.19 0.06 2.37 1.79 -0.08 -2.08 116.57 120.56 1q53 h LYS 33 Ca 0.17 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1q53 h LYS 33 Cb 0.24 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1q53 h LYS 33 CO -0.01 0.82 -0.03 0.78 -1.08 0.00 0.00 179.45 179.94 1q53 h GLY 34 N 1.21 -0.09 -0.36 3.86 0.00 -0.37 -2.07 103.07 105.25 1q53 h GLY 34 Ca 0.32 0.03 0.25 0.00 0.00 0.00 0.00 47.33 47.92 1q53 h GLY 34 CO -0.06 -0.03 0.36 -1.82 0.00 0.00 0.00 176.54 174.99 1q53 h TYR 35 N -0.55 0.59 0.00 5.60 3.20 -0.83 1.80 116.97 126.78 1q53 h TYR 35 Ca -0.01 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1q53 h TYR 35 Cb 0.48 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1q53 h TYR 35 CO 0.08 -0.14 -0.48 0.00 -1.64 0.00 0.00 178.16 175.98 1q53 h ALA 36 N 1.77 0.93 0.02 1.82 0.00 -1.35 -2.48 119.26 119.97 1q53 h ALA 36 Ca 0.59 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 1q53 h ALA 36 Cb 1.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1q53 h ALA 36 CO -0.59 0.60 -0.95 -0.91 0.00 0.00 0.00 179.25 177.39 1q53 h ASN 37 N 0.00 0.16 0.67 0.00 4.21 0.28 -3.07 115.58 117.83 1q53 h ASN 37 Ca -0.00 -0.15 -0.08 0.00 1.21 0.00 0.00 56.30 57.28 1q53 h ASN 37 Cb 1.03 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.17 1q53 h ASN 37 CO 0.06 1.02 -0.39 -0.07 -1.29 0.00 0.00 177.43 176.76 1q53 h LEU 38 N 0.05 0.00 -1.13 1.61 -0.00 0.20 0.16 115.31 116.20 1q53 h LEU 38 Ca -0.04 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.87 1q53 h LEU 38 Cb 1.64 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.24 1q53 h LEU 38 CO 0.14 0.39 0.59 0.58 -0.00 0.00 0.00 178.44 180.14 1q53 h VAL 39 N 0.00 1.15 0.12 1.22 2.07 -1.35 1.15 116.25 120.61 1q53 h VAL 39 Ca -0.00 -0.39 -0.35 0.00 0.82 0.00 0.00 66.70 66.78 1q53 h VAL 39 Cb 0.84 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1q53 h VAL 39 CO 0.05 0.21 -1.85 -0.55 0.02 0.00 0.00 177.57 175.45 1q53 h ASN 40 N 1.13 0.40 0.52 0.57 -1.07 -1.57 -3.37 115.58 112.19 1q53 h ASN 40 Ca 0.36 -0.77 -0.03 0.00 0.07 0.00 0.00 56.30 55.93 1q53 h ASN 40 Cb 0.01 -0.13 0.01 0.00 -2.07 0.00 0.00 38.32 36.14 1q53 h ASN 40 CO -0.11 1.68 -0.25 -0.07 0.07 0.00 0.00 177.43 178.75 1q53 h LEU 41 N 0.07 -0.59 -8.36 6.14 3.38 -0.30 -3.40 115.31 112.26 1q53 h LEU 41 Ca -0.37 0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.05 1q53 h LEU 41 Cb 2.04 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.91 1q53 h LEU 41 CO 0.12 -0.40 1.59 -0.38 0.09 0.00 0.00 178.44 179.45 1q53 n ILE 42 N -5.38 0.04 -0.30 1.22 2.08 0.39 -4.79 119.36 112.63 1q53 n ILE 42 Ca -0.12 -0.32 -0.06 0.00 0.56 0.00 0.00 62.75 62.81 1q53 n ILE 42 Cb 0.29 -1.56 -0.01 0.00 -0.75 0.00 0.00 39.64 37.61 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1q53 h GLU 43 N 14.22 -0.11 0.00 0.38 5.08 -1.87 -3.41 114.58 128.88 1q53 h GLU 43 Ca -0.18 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1q53 h GLU 43 Cb 1.31 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1q53 h GLU 43 CO 1.18 -0.07 0.00 -0.35 -1.00 0.00 0.00 179.01 178.77 1q53 n PRO 44 N -5.41 -0.27 -0.22 2.33 -0.04 -1.26 -4.98 135.00 125.14 1q53 n PRO 44 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1q53 n PRO 44 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1q53 n PRO 44 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1q53 n MET 45 N -1.06 -0.64 -0.04 0.54 0.00 -1.26 -4.98 117.12 109.68 1q53 n MET 45 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 57.70 58.16 1q53 n MET 45 Cb 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 33.22 32.69 1q53 n MET 45 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1q53 h LYS 46 N 0.28 0.00 -2.57 2.12 6.56 -1.91 -3.49 116.57 117.56 1q53 h LYS 46 Ca 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.49 1q53 h LYS 46 Cb 0.00 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 31.44 1q53 h LYS 46 CO 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 179.45 177.26 1q53 s ALA 47 N -2.79 -1.20 -0.10 3.86 0.00 -1.26 -5.08 121.76 115.18 1q53 s ALA 47 Ca -0.05 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 1q53 s ALA 47 Cb 0.01 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.58 1q53 s ALA 47 CO 0.07 -0.25 0.06 0.12 0.00 0.00 0.00 175.76 175.77 1q53 s PHE 48 N -0.14 0.23 0.33 0.00 5.36 -1.26 -2.31 117.98 120.20 1q53 s PHE 48 Ca -0.03 -0.06 0.08 0.00 -0.96 0.00 0.00 56.93 55.96 1q53 s PHE 48 Cb -0.03 -0.62 -0.04 0.00 -0.34 0.00 0.00 43.02 41.98 1q53 s PHE 48 CO 0.02 -0.35 0.16 -3.38 -1.46 0.00 0.00 175.22 170.21 1q53 s HIS 49 N 2.12 2.75 -0.01 10.12 -3.43 -1.23 -4.99 115.29 120.62 1q53 s HIS 49 Ca 0.04 -0.35 0.02 0.00 -0.80 0.00 0.00 55.06 53.97 1q53 s HIS 49 Cb -0.14 -1.63 -0.03 0.00 -1.43 0.00 0.00 32.58 29.35 1q53 s HIS 49 CO -0.06 0.34 -0.05 1.67 -2.00 0.00 0.00 174.74 174.64 1q53 s TRP 50 N -2.39 2.93 -0.11 0.38 1.48 -1.26 -3.56 118.94 116.41 1q53 s TRP 50 Ca 0.38 -0.00 -0.01 0.00 -1.06 0.00 0.00 56.10 55.40 1q53 s TRP 50 Cb -0.03 -1.64 0.03 0.00 -1.16 0.00 0.00 33.47 30.67 1q53 s TRP 50 CO 0.23 0.39 -0.01 0.20 -4.06 0.00 0.00 176.95 173.70 1q53 s GLY 51 N -1.34 0.62 0.16 3.67 0.00 -1.09 -5.04 107.32 104.28 1q53 s GLY 51 Ca 0.17 -0.35 0.08 0.00 0.00 0.00 0.00 44.72 44.61 1q53 s GLY 51 CO 0.07 1.11 -0.04 -1.59 0.00 0.00 0.00 173.10 172.65 1q53 s LYS 52 N 1.88 2.27 -0.06 2.90 -2.85 -1.26 -2.26 119.74 120.35 1q53 s LYS 52 Ca 0.04 -1.13 -0.38 0.00 -1.00 0.00 0.00 55.97 53.50 1q53 s LYS 52 Cb -0.13 -2.30 -0.16 0.00 -2.06 0.00 0.00 37.83 33.18 1q53 s LYS 52 CO -0.06 0.46 1.53 -0.40 0.10 0.00 0.00 175.35 176.98 1q53 n ASP 53 N 0.10 2.07 -4.28 0.03 5.75 -1.26 -4.93 116.55 114.02 1q53 n ASP 53 Ca -0.11 1.09 -0.35 0.00 -0.01 0.00 0.00 54.79 55.41 1q53 n ASP 53 Cb 0.55 -1.19 -0.14 0.00 -1.03 0.00 0.00 41.12 39.31 1q53 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1q53 s VAL 54 N 1.83 3.38 -0.87 2.12 1.01 -1.26 -4.74 120.40 121.87 1q53 s VAL 54 Ca 0.90 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1q53 s VAL 54 Cb -0.98 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1q53 s VAL 54 CO 0.54 0.25 0.57 -1.20 0.00 0.00 0.00 175.10 175.26 1q53 n SER 55 N 4.77 -4.16 -0.10 3.32 7.64 -1.26 -4.84 113.62 118.99 1q53 n SER 55 Ca -0.17 -1.00 0.03 0.00 1.01 0.00 0.00 58.87 58.74 1q53 n SER 55 Cb 0.49 -1.45 -0.01 0.00 -1.01 0.00 0.00 64.21 62.23 1q53 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q53 n ILE 56 N -3.18 0.00 -1.60 0.44 0.13 -1.26 -5.11 119.36 108.78 1q53 n ILE 56 Ca -0.24 -0.43 0.00 0.00 -1.10 0.00 0.00 62.75 60.98 1q53 n ILE 56 Cb 0.60 1.05 0.00 0.00 -0.84 0.00 0.00 39.64 40.45 1q53 n ILE 56 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1q53 n GLU 57 N -0.52 -4.21 -1.52 9.51 1.02 -1.26 -4.48 120.64 119.18 1q53 n GLU 57 Ca 0.02 3.26 -0.40 0.00 -0.02 0.00 0.00 57.16 60.02 1q53 n GLU 57 Cb 0.11 -4.06 -0.07 0.00 -0.02 0.00 0.00 31.44 27.40 1q53 n GLU 57 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1q53 n ASN 58 N -2.55 1.85 -2.52 1.62 4.13 -1.26 -4.57 115.26 111.96 1q53 n ASN 58 Ca 0.00 -0.15 -0.04 0.00 1.68 0.00 0.00 54.58 56.07 1q53 n ASN 58 Cb 0.47 -1.37 0.07 0.00 -1.54 0.00 0.00 39.78 37.41 1q53 n ASN 58 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1q53 n LEU 59 N 13.36 -1.35 -4.20 3.41 4.77 -1.26 -5.14 117.00 126.58 1q53 n LEU 59 Ca 0.44 -2.67 -0.13 0.00 -0.03 0.00 0.00 56.01 53.63 1q53 n LEU 59 Cb 0.36 0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.72 1q53 n LEU 59 CO 0.77 1.55 -0.40 -1.38 -1.33 0.00 0.00 177.39 176.60 1q53 s HIS 60 N 0.11 1.07 -0.29 -1.77 -3.43 -1.26 -5.03 115.29 104.69 1q53 s HIS 60 Ca 0.11 -0.80 0.25 0.00 -0.80 0.00 0.00 55.06 53.82 1q53 s HIS 60 Cb 0.28 -0.58 0.58 0.00 -1.43 0.00 0.00 32.58 31.43 1q53 s HIS 60 CO -0.07 -0.03 1.69 1.96 -2.00 0.00 0.00 174.74 176.30 1q53 h GLN 61 N 3.01 0.00 0.00 -0.38 7.50 -2.01 -3.46 115.11 119.77 1q53 h GLN 61 Ca -0.36 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.79 1q53 h GLN 61 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.71 1q53 h GLN 61 CO 0.62 0.03 0.00 0.41 -1.50 0.00 0.00 178.83 178.39 1q53 n GLY 62 N 0.84 0.59 0.08 3.46 0.00 -1.26 -5.05 105.19 103.85 1q53 n GLY 62 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1q53 n GLY 62 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1q53 h TYR 63 N 0.00 0.00 0.00 1.61 0.05 -1.93 -3.46 116.97 113.25 1q53 h TYR 63 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1q53 h TYR 63 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1q53 h TYR 63 CO 0.00 0.88 0.00 2.41 -1.05 0.00 0.00 178.16 180.40 1q53 n THR 64 N -3.38 0.00 0.00 -2.88 -1.04 -1.26 -4.30 114.28 101.42 1q53 n THR 64 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1q53 n THR 64 Cb 0.87 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.38 1q53 n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q53 n HIS 65 N 0.00 0.00 -4.21 -1.42 1.44 -1.26 -4.02 115.22 105.75 1q53 n HIS 65 Ca 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.54 1q53 n HIS 65 Cb 0.00 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.00 1q53 n HIS 65 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1q53 s ILE 66 N -2.00 1.18 0.06 0.61 -5.25 -0.96 -3.10 121.20 111.74 1q53 s ILE 66 Ca 0.00 -1.61 0.08 0.00 -0.99 0.00 0.00 60.65 58.13 1q53 s ILE 66 Cb 0.00 -1.39 -0.03 0.00 2.95 0.00 0.00 42.46 44.00 1q53 s ILE 66 CO 0.00 -0.41 -0.22 -0.36 -1.79 0.00 0.00 174.94 172.15 1q53 s PHE 67 N -2.03 1.95 -0.07 1.37 0.08 0.39 -2.68 117.98 116.98 1q53 s PHE 67 Ca 0.06 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.74 1q53 s PHE 67 Cb -0.05 -1.15 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1q53 s PHE 67 CO 0.02 0.13 -0.14 -1.83 -0.10 0.00 0.00 175.22 173.30 1q53 s GLU 68 N -1.35 1.89 -0.22 0.44 4.04 -1.23 -0.50 118.70 121.77 1q53 s GLU 68 Ca 0.09 -0.48 -0.03 0.00 0.04 0.00 0.00 54.97 54.59 1q53 s GLU 68 Cb -0.09 -1.54 -0.00 0.00 0.02 0.00 0.00 34.13 32.52 1q53 s GLU 68 CO 0.02 0.04 -0.06 0.45 -1.84 0.00 0.00 175.26 173.88 1q53 s SER 69 N 0.64 4.17 0.19 0.83 0.15 -1.25 -3.55 113.70 114.88 1q53 s SER 69 Ca -0.15 -0.49 -0.30 0.00 0.70 0.00 0.00 55.95 55.72 1q53 s SER 69 Cb -0.16 -1.70 -0.08 0.00 -1.71 0.00 0.00 66.02 62.37 1q53 s SER 69 CO 0.04 -0.03 0.98 -0.89 1.20 0.00 0.00 173.24 174.54 1q53 s THR 70 N 1.44 4.14 0.34 6.45 2.01 -0.98 -4.27 115.64 124.78 1q53 s THR 70 Ca 0.05 1.97 0.05 0.00 0.31 0.00 0.00 61.69 64.06 1q53 s THR 70 Cb -0.14 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 68.05 1q53 s THR 70 CO -0.05 0.39 0.04 -0.36 -0.69 0.00 0.00 174.62 173.96 1q53 s PHE 71 N -0.65 2.09 -0.11 4.92 0.08 -1.26 -3.32 117.98 119.74 1q53 s PHE 71 Ca 0.44 -0.88 -0.23 0.00 0.12 0.00 0.00 56.93 56.39 1q53 s PHE 71 Cb -0.26 -1.39 -0.27 0.00 -0.57 0.00 0.00 43.02 40.52 1q53 s PHE 71 CO 0.32 0.12 0.70 1.49 -0.10 0.00 0.00 175.22 177.75 1q53 h GLU 72 N 2.04 0.16 0.00 0.44 4.81 -1.97 -3.43 114.58 116.63 1q53 h GLU 72 Ca -0.41 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 1q53 h GLU 72 Cb 1.24 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1q53 h GLU 72 CO 0.72 1.13 0.00 0.45 -0.73 0.00 0.00 179.01 180.58 1q53 n SER 73 N -4.26 0.00 -0.13 1.04 2.88 -1.26 -4.91 113.62 106.97 1q53 n SER 73 Ca -0.17 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.10 1q53 n SER 73 Cb 0.72 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.07 1q53 n SER 73 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1q53 n LYS 74 N 0.00 0.61 -0.07 -1.46 3.00 -1.26 -4.14 118.16 114.83 1q53 n LYS 74 Ca 0.00 0.26 0.03 0.00 -0.00 0.00 0.00 58.31 58.60 1q53 n LYS 74 Cb 0.00 -1.52 0.37 0.00 0.00 0.00 0.00 35.03 33.87 1q53 n LYS 74 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1q53 h GLU 75 N -0.74 0.68 -0.91 1.64 5.08 -2.02 -1.25 114.58 117.07 1q53 h GLU 75 Ca -0.64 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.71 1q53 h GLU 75 Cb 1.67 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.71 1q53 h GLU 75 CO -0.32 0.45 0.59 0.00 -1.00 0.00 0.00 179.01 178.73 1q53 h ALA 76 N 1.68 1.19 -0.81 3.43 0.00 -1.98 0.55 119.26 123.31 1q53 h ALA 76 Ca 0.19 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.29 1q53 h ALA 76 Cb -0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1q53 h ALA 76 CO -0.04 0.47 0.63 -0.24 0.00 0.00 0.00 179.25 180.06 1q53 h VAL 77 N 1.16 0.50 -0.76 0.00 3.04 -1.38 0.70 116.25 119.51 1q53 h VAL 77 Ca 0.36 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.02 1q53 h VAL 77 Cb -0.02 0.55 -0.04 0.00 -2.01 0.00 0.00 31.29 29.77 1q53 h VAL 77 CO -0.11 0.00 0.39 0.00 -1.01 0.00 0.00 177.57 176.84 1q53 h ALA 78 N 1.51 0.98 -0.02 3.17 0.00 -0.91 0.22 119.26 124.22 1q53 h ALA 78 Ca 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1q53 h ALA 78 Cb 1.63 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1q53 h ALA 78 CO -0.00 0.52 0.00 0.93 0.00 0.00 0.00 179.25 180.70 1q53 h GLU 79 N 1.07 0.03 -0.96 0.00 5.08 0.37 0.12 114.58 120.29 1q53 h GLU 79 Ca 0.27 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1q53 h GLU 79 Cb 0.08 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1q53 h GLU 79 CO -0.04 0.24 0.63 -0.92 -1.00 0.00 0.00 179.01 177.92 1q53 h TYR 80 N -0.19 1.20 0.00 4.33 3.20 -1.17 0.25 116.97 124.59 1q53 h TYR 80 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1q53 h TYR 80 Cb 0.23 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1q53 h TYR 80 CO 0.00 0.76 0.00 0.82 -1.64 0.00 0.00 178.16 178.10 1q53 h ILE 81 N 1.30 0.00 -0.75 1.81 2.04 -0.41 -2.50 117.51 119.01 1q53 h ILE 81 Ca 0.35 -0.61 -0.40 0.00 1.00 0.00 0.00 64.86 65.20 1q53 h ILE 81 Cb -0.15 1.60 -0.23 0.00 -0.74 0.00 0.00 36.82 37.30 1q53 h ILE 81 CO -0.08 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.43 1q53 n ALA 82 N -2.07 5.15 -2.89 1.87 0.00 0.41 -4.90 120.51 118.08 1q53 n ALA 82 Ca 0.02 -3.05 -0.36 0.00 0.00 0.00 0.00 53.44 50.05 1q53 n ALA 82 Cb 0.36 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1q53 n ALA 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1q53 s HIS 83 N -3.32 3.58 0.07 0.00 5.04 -0.71 -4.94 115.29 115.00 1q53 s HIS 83 Ca 0.53 0.46 -0.15 0.00 -1.54 0.00 0.00 55.06 54.36 1q53 s HIS 83 Cb 0.45 -1.90 -0.21 0.00 0.04 0.00 0.00 32.58 30.97 1q53 s HIS 83 CO 0.06 0.70 1.21 -1.00 -2.34 0.00 0.00 174.74 173.37 1q53 h PRO 84 N 4.56 0.68 -0.56 2.88 0.13 -1.91 -2.00 132.00 135.79 1q53 h PRO 84 Ca -0.53 -0.65 0.06 0.00 -0.87 0.00 0.00 66.00 64.01 1q53 h PRO 84 Cb 1.21 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 1q53 h PRO 84 CO 0.62 1.25 0.37 0.00 -0.23 0.00 0.00 178.00 180.01 1q53 h ALA 85 N 0.44 1.86 0.05 -0.56 0.00 -1.95 0.78 119.26 119.87 1q53 h ALA 85 Ca -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1q53 h ALA 85 Cb 1.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1q53 h ALA 85 CO 0.17 0.05 -0.03 1.25 0.00 0.00 0.00 179.25 180.70 1q53 h HIS 86 N 0.52 -0.07 -0.58 0.00 -0.00 -1.85 -2.48 115.15 110.68 1q53 h HIS 86 Ca 0.24 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.66 1q53 h HIS 86 Cb 0.29 0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.67 1q53 h HIS 86 CO -0.00 0.53 0.30 0.28 -0.00 0.00 0.00 177.93 179.04 1q53 h VAL 87 N -0.78 0.94 -0.51 5.26 2.07 -0.74 0.86 116.25 123.34 1q53 h VAL 87 Ca -0.01 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1q53 h VAL 87 Cb 0.63 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1q53 h VAL 87 CO 0.01 0.10 0.18 -0.08 0.02 0.00 0.00 177.57 177.81 1q53 h GLU 88 N 0.56 0.35 0.07 1.57 4.57 0.50 0.77 114.58 122.96 1q53 h GLU 88 Ca 0.26 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1q53 h GLU 88 Cb 0.18 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1q53 h GLU 88 CO -0.18 0.23 -0.03 0.35 -1.18 0.00 0.00 179.01 178.19 1q53 h PHE 89 N 0.36 -0.08 -0.70 0.92 3.57 -0.81 -1.40 116.94 118.80 1q53 h PHE 89 Ca 0.25 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.87 1q53 h PHE 89 Cb 0.27 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1q53 h PHE 89 CO -0.16 0.40 0.47 0.00 -2.23 0.00 0.00 178.31 176.79 1q53 h ALA 90 N 0.23 2.03 -0.28 2.41 0.00 0.98 1.14 119.26 125.77 1q53 h ALA 90 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1q53 h ALA 90 Cb 0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1q53 h ALA 90 CO 0.02 -0.20 -0.38 1.15 0.00 0.00 0.00 179.25 179.84 1q53 h THR 91 N 0.46 1.30 -0.00 0.00 2.02 0.65 -1.50 112.91 115.83 1q53 h THR 91 Ca 0.33 -1.57 -0.14 0.00 0.77 0.00 0.00 66.41 65.81 1q53 h THR 91 Cb 0.68 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1q53 h THR 91 CO -0.11 0.50 -0.66 0.40 0.37 0.00 0.00 175.52 176.03 1q53 h ILE 92 N 0.50 1.47 0.01 3.11 2.04 0.19 -3.07 117.51 121.76 1q53 h ILE 92 Ca 0.03 -2.25 -0.00 0.00 1.00 0.00 0.00 64.86 63.64 1q53 h ILE 92 Cb 0.97 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1q53 h ILE 92 CO 0.09 0.64 -0.00 0.15 0.00 0.00 0.00 178.15 179.03 1q53 h PHE 93 N 0.01 -0.01 -0.30 1.37 3.04 0.14 -2.60 116.94 118.59 1q53 h PHE 93 Ca -0.01 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.03 1q53 h PHE 93 Cb 1.17 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 1q53 h PHE 93 CO 0.00 0.31 0.27 1.37 -2.02 0.00 0.00 178.31 178.24 1q53 h LEU 94 N -0.33 0.00 -2.88 0.59 8.10 -1.28 0.41 115.31 119.91 1q53 h LEU 94 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1q53 h LEU 94 Cb 0.33 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.55 1q53 h LEU 94 CO 0.00 0.00 0.00 1.23 -4.11 0.00 0.00 178.44 175.56 1q53 h GLY 95 N 0.00 0.00 -5.04 0.17 0.00 -1.36 -3.11 103.07 93.73 1q53 h GLY 95 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.19 1q53 h GLY 95 CO -0.00 0.00 -0.67 -1.14 0.00 0.00 0.00 176.54 174.73 1q53 n SER 96 N -3.25 -0.75 -4.34 0.19 3.41 0.13 -5.11 113.62 103.90 1q53 n SER 96 Ca -0.03 -2.66 -0.33 0.00 -0.26 0.00 0.00 58.87 55.60 1q53 n SER 96 Cb 0.07 0.52 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 1q53 n SER 96 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1q53 s LEU 97 N -3.07 2.56 -0.14 1.04 2.96 -0.24 -4.50 118.68 117.29 1q53 s LEU 97 Ca 0.24 -0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 1q53 s LEU 97 Cb 0.41 -1.55 -0.11 0.00 0.50 0.00 0.00 46.19 45.43 1q53 s LEU 97 CO -0.04 0.18 0.23 -0.78 -1.32 0.00 0.00 176.35 174.62 1q53 h ASP 98 N 6.58 0.00 -4.36 3.68 1.82 0.35 -3.45 116.42 121.04 1q53 h ASP 98 Ca -0.26 -0.38 -0.36 0.00 -0.39 0.00 0.00 57.03 55.65 1q53 h ASP 98 Cb 1.21 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 41.03 1q53 h ASP 98 CO 0.53 0.85 -0.75 -0.54 -1.61 0.00 0.00 179.24 177.72 1q53 s LYS 99 N -2.00 0.86 -0.21 0.28 1.02 -1.18 -4.91 119.74 113.60 1q53 s LYS 99 Ca -0.13 -1.10 -0.07 0.00 0.02 0.00 0.00 55.97 54.69 1q53 s LYS 99 Cb 0.00 -0.66 0.10 0.00 -0.52 0.00 0.00 37.83 36.75 1q53 s LYS 99 CO 0.34 0.12 0.42 0.54 -0.92 0.00 0.00 175.35 175.85 1q53 s VAL 100 N -2.05 -0.66 -0.04 3.17 0.11 -1.25 -2.32 120.40 117.36 1q53 s VAL 100 Ca 0.03 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1q53 s VAL 100 Cb -0.05 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1q53 s VAL 100 CO 0.01 0.05 -0.09 -0.76 -3.33 0.00 0.00 175.10 170.99 1q53 s LEU 101 N 2.62 1.65 -0.14 2.54 2.01 -0.77 -4.97 118.68 121.62 1q53 s LEU 101 Ca -0.01 -0.19 0.00 0.00 0.01 0.00 0.00 54.13 53.94 1q53 s LEU 101 Cb -0.12 -0.58 0.02 0.00 0.01 0.00 0.00 46.19 45.52 1q53 s LEU 101 CO -0.13 0.03 -0.14 0.68 1.01 0.00 0.00 176.35 177.80 1q53 s VAL 102 N 0.45 1.54 -0.03 -1.59 -7.23 -1.26 -1.16 120.40 111.12 1q53 s VAL 102 Ca -0.07 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 59.35 1q53 s VAL 102 Cb -0.11 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.40 1q53 s VAL 102 CO 0.01 0.45 0.30 -0.63 -0.31 0.00 0.00 175.10 174.92 1q53 s ILE 103 N 1.48 0.05 -0.06 -0.62 -1.09 -0.25 -5.03 121.20 115.68 1q53 s ILE 103 Ca 0.04 -0.41 -0.04 0.00 -2.23 0.00 0.00 60.65 58.01 1q53 s ILE 103 Cb -0.13 -0.57 -0.04 0.00 -1.58 0.00 0.00 42.46 40.14 1q53 s ILE 103 CO -0.10 -0.23 0.14 -1.81 -1.23 0.00 0.00 174.94 171.71 1q53 s ASP 104 N -1.08 6.20 -0.03 3.58 1.11 -1.26 0.18 116.67 125.37 1q53 s ASP 104 Ca -0.11 0.36 -0.01 0.00 0.18 0.00 0.00 52.55 52.97 1q53 s ASP 104 Cb -0.05 -1.94 0.03 0.00 1.07 0.00 0.00 42.92 42.03 1q53 s ASP 104 CO 0.03 0.34 0.06 -0.47 1.18 0.00 0.00 175.17 176.31 1q53 s TYR 105 N -1.15 -0.01 -0.11 4.23 5.04 0.36 -4.85 117.35 120.85 1q53 s TYR 105 Ca 0.20 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 55.08 1q53 s TYR 105 Cb -0.12 -0.22 0.01 0.00 0.35 0.00 0.00 41.96 41.98 1q53 s TYR 105 CO 0.11 -0.12 -0.19 0.21 -1.34 0.00 0.00 175.55 174.22 1q53 s LYS 106 N 1.19 2.56 -0.99 4.97 2.20 -1.26 -2.03 119.74 126.39 1q53 s LYS 106 Ca -0.08 -0.69 -0.23 0.00 -0.36 0.00 0.00 55.97 54.60 1q53 s LYS 106 Cb -0.13 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 1q53 s LYS 106 CO -0.04 0.00 1.70 -1.25 -0.36 0.00 0.00 175.35 175.41 1q53 s PRO 107 N 0.79 3.10 -0.12 4.03 0.04 -1.26 -4.95 135.00 136.62 1q53 s PRO 107 Ca -0.10 -0.79 -0.25 0.00 0.04 0.00 0.00 61.00 59.90 1q53 s PRO 107 Cb -0.16 -5.23 -0.02 0.00 0.04 0.00 0.00 34.50 29.13 1q53 s PRO 107 CO 0.01 -2.81 0.81 0.99 0.04 0.00 0.00 177.00 176.04 1q53 s THR 108 N 7.48 4.93 0.05 1.26 2.01 -1.26 -5.03 115.64 125.07 1q53 s THR 108 Ca 0.58 1.63 -0.27 0.00 0.31 0.00 0.00 61.69 63.94 1q53 s THR 108 Cb -0.03 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1q53 s THR 108 CO -0.04 0.10 0.84 -0.94 -0.69 0.00 0.00 174.62 173.89 1q53 s SER 109 N 1.04 7.29 -0.01 3.53 1.04 -1.26 -5.05 113.70 120.28 1q53 s SER 109 Ca 0.40 1.55 0.01 0.00 0.48 0.00 0.00 55.95 58.38 1q53 s SER 109 Cb -0.17 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 1q53 s SER 109 CO 0.16 -0.05 0.00 -0.69 0.98 0.00 0.00 173.24 173.64 1q53 s VAL 110 N 0.17 4.19 -0.02 5.02 1.01 -1.26 -5.01 120.40 124.50 1q53 s VAL 110 Ca 0.42 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1q53 s VAL 110 Cb -0.21 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1q53 s VAL 110 CO 0.25 0.41 1.39 -0.94 0.00 0.00 0.00 175.10 176.21 1q53 s SER 111 N -1.46 6.86 0.00 3.32 1.04 -1.26 -5.29 113.70 116.91 1q53 s SER 111 Ca 0.19 2.06 0.21 0.00 0.48 0.00 0.00 55.95 58.89 1q53 s SER 111 Cb -0.11 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.61 1q53 s SER 111 CO 0.09 -0.73 1.16 0.18 0.98 0.00 0.00 173.24 174.93