#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 -0.65 0.10 1.61 0.15 -1.26 -5.06 113.70 108.59 1q53 s SER 2 Ca 0.00 0.84 -0.20 0.00 0.70 0.00 0.00 55.95 57.29 1q53 s SER 2 Cb 0.00 0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 64.97 1q53 s SER 2 CO 0.00 -0.51 1.35 0.45 1.20 0.00 0.00 173.24 175.73 1q53 h HIS 3 N 3.38 -1.22 -4.78 3.44 -0.00 -2.13 -3.47 115.15 110.37 1q53 h HIS 3 Ca -0.27 0.08 0.01 0.00 -0.00 0.00 0.00 60.37 60.19 1q53 h HIS 3 Cb 1.15 0.61 -0.12 0.00 -0.00 0.00 0.00 27.41 29.05 1q53 h HIS 3 CO 0.37 -0.25 -1.43 -0.12 -0.00 0.00 0.00 177.93 176.50 1q53 n MET 4 N -4.47 -4.11 -1.12 2.45 0.00 -1.26 -4.90 117.12 103.71 1q53 n MET 4 Ca 0.01 3.15 -0.36 0.00 0.00 0.00 0.00 57.70 60.49 1q53 n MET 4 Cb 0.18 -4.67 0.06 0.00 0.00 0.00 0.00 33.22 28.79 1q53 n MET 4 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1q53 n GLU 5 N 1.50 0.07 -3.26 2.12 0.00 -1.26 -4.90 120.64 114.91 1q53 n GLU 5 Ca -0.37 0.05 -0.41 0.00 0.00 0.00 0.00 57.16 56.42 1q53 n GLU 5 Cb 0.58 -1.45 -0.08 0.00 0.00 0.00 0.00 31.44 30.49 1q53 n GLU 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1q53 s GLU 6 N -2.34 3.67 0.00 3.44 -1.05 -1.26 -5.05 118.70 116.12 1q53 s GLU 6 Ca 0.56 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 55.24 1q53 s GLU 6 Cb -0.31 -3.79 0.00 0.00 -0.44 0.00 0.00 34.13 29.59 1q53 s GLU 6 CO 0.68 -0.59 0.00 0.00 0.95 0.00 0.00 175.26 176.30 1q53 n ALA 7 N 5.68 0.00 -0.16 -0.84 0.00 -1.26 -5.00 120.51 118.93 1q53 n ALA 7 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1q53 n ALA 7 Cb 0.49 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.98 1q53 n ALA 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1q53 h LYS 8 N 0.00 0.02 0.00 0.00 2.10 -1.96 -3.41 116.57 113.31 1q53 h LYS 8 Ca 0.00 -0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.43 1q53 h LYS 8 Cb 0.00 -0.00 0.13 0.00 -0.90 0.00 0.00 32.23 31.46 1q53 h LYS 8 CO 0.00 0.01 -0.11 0.41 -2.00 0.00 0.00 179.45 177.76 1q53 n GLY 9 N -1.35 -3.36 2.89 0.07 0.00 -1.26 -4.71 105.19 97.47 1q53 n GLY 9 Ca 0.05 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.76 -1.83 -4.57 1.61 -0.04 -1.26 -5.04 135.00 120.10 1q53 n PRO 10 Ca 0.08 -1.49 -0.34 0.00 -0.04 0.00 0.00 63.50 61.71 1q53 n PRO 10 Cb 0.37 -1.18 -0.11 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.93 3.78 -0.04 0.52 1.01 -1.10 -4.81 120.40 116.84 1q53 s VAL 11 Ca 0.57 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1q53 s VAL 11 Cb -0.03 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1q53 s VAL 11 CO 0.42 0.59 -0.10 -1.59 0.00 0.00 0.00 175.10 174.41 1q53 s LYS 12 N -0.65 1.22 -0.01 2.72 -2.85 -1.20 -0.78 119.74 118.18 1q53 s LYS 12 Ca 0.10 -0.34 -0.10 0.00 -1.00 0.00 0.00 55.97 54.63 1q53 s LYS 12 Cb -0.12 -1.09 -0.05 0.00 -2.06 0.00 0.00 37.83 34.51 1q53 s LYS 12 CO 0.02 0.08 0.32 -1.58 0.10 0.00 0.00 175.35 174.28 1q53 s HIS 13 N 0.39 3.64 -0.17 1.78 5.65 -1.13 -2.00 115.29 123.45 1q53 s HIS 13 Ca -0.07 0.76 -0.05 0.00 0.25 0.00 0.00 55.06 55.95 1q53 s HIS 13 Cb -0.12 -2.12 -0.03 0.00 -1.18 0.00 0.00 32.58 29.13 1q53 s HIS 13 CO 0.01 0.64 0.01 0.08 -0.65 0.00 0.00 174.74 174.83 1q53 s VAL 14 N -1.17 4.25 -0.03 0.89 1.01 0.18 -3.20 120.40 122.33 1q53 s VAL 14 Ca 0.24 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1q53 s VAL 14 Cb -0.14 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1q53 s VAL 14 CO 0.13 0.47 -0.06 -0.22 0.00 0.00 0.00 175.10 175.42 1q53 s LEU 15 N 0.48 1.54 -0.08 3.92 0.20 -0.82 0.45 118.68 124.36 1q53 s LEU 15 Ca -0.01 -0.14 0.01 0.00 0.69 0.00 0.00 54.13 54.68 1q53 s LEU 15 Cb -0.14 -0.46 0.02 0.00 -0.43 0.00 0.00 46.19 45.19 1q53 s LEU 15 CO 0.02 -0.01 -0.07 -0.76 -0.29 0.00 0.00 176.35 175.24 1q53 s LEU 16 N 0.60 1.28 0.05 -0.68 1.02 -0.84 -0.31 118.68 119.80 1q53 s LEU 16 Ca -0.08 -0.24 -0.01 0.00 0.02 0.00 0.00 54.13 53.81 1q53 s LEU 16 Cb -0.12 -0.72 -0.04 0.00 0.02 0.00 0.00 46.19 45.34 1q53 s LEU 16 CO 0.00 -0.07 -0.02 0.00 0.02 0.00 0.00 176.35 176.28 1q53 s ALA 17 N 1.29 0.48 -0.18 4.21 0.00 -1.23 -0.68 121.76 125.64 1q53 s ALA 17 Ca -0.04 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1q53 s ALA 17 Cb -0.14 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1q53 s ALA 17 CO -0.03 -0.37 -0.19 0.45 0.00 0.00 0.00 175.76 175.62 1q53 s SER 18 N -2.86 3.19 -0.18 0.00 0.15 0.25 -4.15 113.70 110.09 1q53 s SER 18 Ca 0.06 -0.64 -0.29 0.00 0.70 0.00 0.00 55.95 55.79 1q53 s SER 18 Cb 0.07 -1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 62.85 1q53 s SER 18 CO -0.10 -0.00 1.86 -0.36 1.20 0.00 0.00 173.24 175.85 1q53 s PHE 19 N 1.30 1.66 1.09 3.44 0.08 -1.26 0.18 117.98 124.46 1q53 s PHE 19 Ca 0.05 0.34 -0.20 0.00 0.12 0.00 0.00 56.93 57.24 1q53 s PHE 19 Cb -0.13 -4.03 0.03 0.00 -0.57 0.00 0.00 43.02 38.32 1q53 s PHE 19 CO -0.12 -3.78 -0.33 0.36 -0.10 0.00 0.00 175.22 171.25 1q53 n LYS 20 N 7.99 -1.19 -3.71 0.44 2.85 -1.22 -4.68 118.16 118.65 1q53 n LYS 20 Ca 0.22 -0.33 -0.37 0.00 -1.05 0.00 0.00 58.31 56.78 1q53 n LYS 20 Cb 0.44 -1.55 -0.12 0.00 -0.65 0.00 0.00 35.03 33.16 1q53 n LYS 20 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1q53 s ASP 21 N -1.65 5.35 0.00 -5.58 1.47 -1.26 -4.36 116.67 110.64 1q53 s ASP 21 Ca 0.51 -0.20 0.00 0.00 1.18 0.00 0.00 52.55 54.04 1q53 s ASP 21 Cb -0.07 -1.97 0.00 0.00 -0.34 0.00 0.00 42.92 40.54 1q53 s ASP 21 CO 0.66 -0.05 0.00 0.61 0.68 0.00 0.00 175.17 177.07 1q53 n GLY 22 N 4.96 0.71 3.72 2.12 0.00 -1.26 -5.12 105.19 110.32 1q53 n GLY 22 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.01 5.01 0.64 1.61 1.01 -1.26 -5.02 120.40 122.38 1q53 s VAL 23 Ca 0.00 1.43 -0.17 0.00 0.00 0.00 0.00 61.98 63.24 1q53 s VAL 23 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1q53 s VAL 23 CO 0.00 0.28 0.82 -1.20 0.00 0.00 0.00 175.10 175.00 1q53 n SER 24 N 3.59 0.07 0.04 3.32 7.64 -1.26 -4.91 113.62 122.11 1q53 n SER 24 Ca -0.02 0.73 -0.15 0.00 1.01 0.00 0.00 58.87 60.45 1q53 n SER 24 Cb 0.51 -1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 62.34 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 0.16 0.53 -0.13 1.43 0.13 -2.00 -3.08 132.00 129.03 1q53 h PRO 25 Ca -0.47 -0.51 0.04 0.00 -0.87 0.00 0.00 66.00 64.18 1q53 h PRO 25 Cb 1.36 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.62 1q53 h PRO 25 CO 0.48 1.14 0.11 0.93 -0.23 0.00 0.00 178.00 180.43 1q53 h GLU 26 N 0.32 0.00 0.00 0.86 5.08 -2.00 0.23 114.58 119.07 1q53 h GLU 26 Ca -0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1q53 h GLU 26 Cb 1.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 1q53 h GLU 26 CO 0.16 0.00 -0.77 -0.22 -1.00 0.00 0.00 179.01 177.18 1q53 h LYS 27 N 0.00 0.00 -0.40 2.33 3.64 -1.91 -1.54 116.57 118.69 1q53 h LYS 27 Ca 0.06 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1q53 h LYS 27 Cb 0.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1q53 h LYS 27 CO -0.00 0.77 -0.03 0.82 -2.27 0.00 0.00 179.45 178.73 1q53 h ILE 28 N 0.00 1.27 -0.27 2.00 2.04 -0.52 0.24 117.51 122.27 1q53 h ILE 28 Ca -0.01 -1.08 -0.18 0.00 1.00 0.00 0.00 64.86 64.59 1q53 h ILE 28 Cb 1.44 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1q53 h ILE 28 CO 0.10 0.36 -0.55 1.05 0.00 0.00 0.00 178.15 179.11 1q53 h GLU 29 N 0.55 0.84 0.00 2.37 4.11 -1.35 -2.89 114.58 118.20 1q53 h GLU 29 Ca 0.11 -0.55 -0.04 0.00 0.07 0.00 0.00 59.36 58.95 1q53 h GLU 29 Cb 0.53 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1q53 h GLU 29 CO 0.03 1.18 -0.20 1.05 0.07 0.00 0.00 179.01 181.13 1q53 h GLU 30 N 0.61 0.00 -0.11 1.06 4.11 -1.16 -1.91 114.58 117.18 1q53 h GLU 30 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1q53 h GLU 30 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1q53 h GLU 30 CO 0.12 0.20 0.02 1.25 0.07 0.00 0.00 179.01 180.67 1q53 h LEU 31 N 0.00 0.17 -0.86 3.06 6.46 -0.30 -0.71 115.31 123.13 1q53 h LEU 31 Ca -0.00 -0.25 -0.10 0.00 -0.12 0.00 0.00 57.88 57.41 1q53 h LEU 31 Cb 0.59 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1q53 h LEU 31 CO 0.03 0.38 -0.20 0.40 -0.62 0.00 0.00 178.44 178.43 1q53 h ILE 32 N -0.04 1.26 -0.98 4.05 2.04 -1.40 -2.27 117.51 120.18 1q53 h ILE 32 Ca 0.03 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.67 1q53 h ILE 32 Cb 0.28 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1q53 h ILE 32 CO 0.00 0.41 0.64 0.11 0.00 0.00 0.00 178.15 179.31 1q53 h LYS 33 N 0.56 1.26 -0.31 2.37 1.79 -1.09 -2.24 116.57 118.92 1q53 h LYS 33 Ca 0.09 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1q53 h LYS 33 Cb 0.65 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1q53 h LYS 33 CO 0.05 0.83 0.05 0.78 -1.08 0.00 0.00 179.45 180.08 1q53 h GLY 34 N 1.29 0.55 0.10 3.86 0.00 -0.69 -2.90 103.07 105.28 1q53 h GLY 34 Ca 0.37 -0.37 0.18 0.00 0.00 0.00 0.00 47.33 47.51 1q53 h GLY 34 CO -0.09 0.34 0.50 -1.82 0.00 0.00 0.00 176.54 175.47 1q53 h TYR 35 N 0.33 0.87 -0.01 5.60 5.03 -0.86 0.82 116.97 128.75 1q53 h TYR 35 Ca 0.09 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1q53 h TYR 35 Cb 0.35 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.38 1q53 h TYR 35 CO 0.02 0.16 0.01 0.00 -1.32 0.00 0.00 178.16 177.03 1q53 h ALA 36 N 1.62 1.85 0.03 1.82 0.00 -1.24 0.26 119.26 123.61 1q53 h ALA 36 Ca 0.53 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.17 1q53 h ALA 36 Cb 0.83 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.65 1q53 h ALA 36 CO -0.40 -0.01 -1.08 -0.97 0.00 0.00 0.00 179.25 176.78 1q53 h ASN 37 N 0.00 0.83 0.56 0.00 -1.24 0.65 -3.11 115.58 113.27 1q53 h ASN 37 Ca 0.00 -0.69 -0.08 0.00 0.71 0.00 0.00 56.30 56.24 1q53 h ASN 37 Cb 0.02 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 1q53 h ASN 37 CO -0.00 1.50 -0.39 -0.07 -1.29 0.00 0.00 177.43 177.18 1q53 h LEU 38 N 0.33 0.00 -0.38 0.34 4.07 0.23 -0.33 115.31 119.58 1q53 h LEU 38 Ca -0.14 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.84 1q53 h LEU 38 Cb 1.74 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.46 1q53 h LEU 38 CO 0.21 0.39 0.23 0.58 -1.08 0.00 0.00 178.44 178.76 1q53 h VAL 39 N 0.00 1.05 0.00 1.22 2.07 -0.51 0.64 116.25 120.73 1q53 h VAL 39 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1q53 h VAL 39 Cb 0.77 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1q53 h VAL 39 CO 0.05 0.08 -0.14 -0.55 0.02 0.00 0.00 177.57 177.03 1q53 h ASN 40 N 0.46 0.00 0.17 0.57 -1.07 -1.48 -3.32 115.58 110.91 1q53 h ASN 40 Ca 0.15 -0.03 -0.01 0.00 0.07 0.00 0.00 56.30 56.48 1q53 h ASN 40 Cb -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.24 1q53 h ASN 40 CO -0.06 0.02 -0.08 0.25 0.07 0.00 0.00 177.43 177.62 1q53 h LEU 41 N 0.00 -0.19 -8.40 6.14 6.46 0.28 -3.43 115.31 116.17 1q53 h LEU 41 Ca 0.00 -0.14 -0.63 0.00 -0.12 0.00 0.00 57.88 57.00 1q53 h LEU 41 Cb 0.81 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 1q53 h LEU 41 CO 0.00 0.33 1.49 -0.38 -0.62 0.00 0.00 178.44 179.26 1q53 n ILE 42 N -4.92 0.10 -0.33 4.05 5.41 0.21 -4.79 119.36 119.09 1q53 n ILE 42 Ca -0.05 -0.26 -0.08 0.00 1.00 0.00 0.00 62.75 63.36 1q53 n ILE 42 Cb 0.16 -1.49 -0.07 0.00 -0.71 0.00 0.00 39.64 37.53 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1q53 n GLU 43 N 8.28 -0.33 0.00 0.38 1.02 -1.26 -3.61 120.64 125.11 1q53 n GLU 43 Ca 0.46 1.22 0.00 0.00 -0.02 0.00 0.00 57.16 58.82 1q53 n GLU 43 Cb 0.21 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1q53 n GLU 43 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1q53 n PRO 44 N -5.03 0.00 -2.49 3.49 -0.04 -1.26 -5.04 135.00 124.63 1q53 n PRO 44 Ca 0.02 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1q53 n PRO 44 Cb 0.22 -0.15 -0.01 0.00 -0.04 0.00 0.00 33.50 33.52 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 -0.02 -3.15 0.02 0.54 1.56 -1.24 -4.96 117.12 109.87 1q53 n MET 45 Ca 0.00 2.37 -0.01 0.00 -0.27 0.00 0.00 57.70 59.79 1q53 n MET 45 Cb 0.00 -3.14 -0.01 0.00 2.15 0.00 0.00 33.22 32.23 1q53 n MET 45 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1q53 h LYS 46 N 4.35 -0.07 -1.58 2.12 1.79 -1.94 -3.49 116.57 117.75 1q53 h LYS 46 Ca -0.16 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1q53 h LYS 46 Cb 0.36 0.02 -0.23 0.00 -1.58 0.00 0.00 32.23 30.80 1q53 h LYS 46 CO 0.00 -0.05 0.53 0.00 -1.08 0.00 0.00 179.45 178.85 1q53 s ALA 47 N -3.09 -1.93 -0.20 3.86 0.00 -0.84 -5.02 121.76 114.53 1q53 s ALA 47 Ca -0.01 1.60 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 1q53 s ALA 47 Cb 0.00 -0.74 0.10 0.00 0.00 0.00 0.00 23.12 22.48 1q53 s ALA 47 CO 0.03 -0.30 0.33 0.12 0.00 0.00 0.00 175.76 175.94 1q53 s PHE 48 N -1.01 -0.62 0.23 0.00 5.36 -1.26 0.11 117.98 120.79 1q53 s PHE 48 Ca -0.02 0.86 0.09 0.00 -0.96 0.00 0.00 56.93 56.90 1q53 s PHE 48 Cb -0.01 -0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 42.61 1q53 s PHE 48 CO 0.01 -0.57 -0.01 -3.38 -1.46 0.00 0.00 175.22 169.81 1q53 s HIS 49 N 2.49 2.74 0.29 10.12 -3.43 -1.16 -5.01 115.29 121.33 1q53 s HIS 49 Ca 0.06 -0.19 0.10 0.00 -0.80 0.00 0.00 55.06 54.23 1q53 s HIS 49 Cb -0.14 -1.27 -0.05 0.00 -1.43 0.00 0.00 32.58 29.69 1q53 s HIS 49 CO -0.13 0.57 -0.00 1.67 -2.00 0.00 0.00 174.74 174.85 1q53 s TRP 50 N -2.05 2.62 0.17 0.38 1.48 -1.26 -3.61 118.94 116.67 1q53 s TRP 50 Ca 0.29 -0.30 -0.18 0.00 -1.06 0.00 0.00 56.10 54.85 1q53 s TRP 50 Cb -0.08 -1.29 0.04 0.00 -1.16 0.00 0.00 33.47 30.98 1q53 s TRP 50 CO 0.19 0.57 0.50 0.20 -4.06 0.00 0.00 176.95 174.35 1q53 s GLY 51 N -3.69 -0.24 0.16 3.67 0.00 -1.25 -5.05 107.32 100.93 1q53 s GLY 51 Ca 0.33 -0.05 0.09 0.00 0.00 0.00 0.00 44.72 45.09 1q53 s GLY 51 CO 0.20 -0.20 -0.20 -1.59 0.00 0.00 0.00 173.10 171.30 1q53 s LYS 52 N -3.83 1.32 0.47 2.90 -2.85 -1.26 -3.66 119.74 112.83 1q53 s LYS 52 Ca 0.06 -1.40 -0.20 0.00 -1.00 0.00 0.00 55.97 53.43 1q53 s LYS 52 Cb -0.00 -1.50 -0.09 0.00 -2.06 0.00 0.00 37.83 34.18 1q53 s LYS 52 CO -0.07 0.32 0.99 0.16 0.10 0.00 0.00 175.35 176.85 1q53 s ASP 53 N -2.54 6.61 -0.21 0.03 -4.77 -1.13 -4.98 116.67 109.69 1q53 s ASP 53 Ca 0.16 1.78 -0.05 0.00 -3.30 0.00 0.00 52.55 51.14 1q53 s ASP 53 Cb -0.07 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 39.20 1q53 s ASP 53 CO 0.07 -0.59 -0.01 0.68 0.70 0.00 0.00 175.17 176.02 1q53 s VAL 54 N -2.16 3.78 -0.13 2.11 -7.23 -1.26 -5.04 120.40 110.47 1q53 s VAL 54 Ca 0.64 -0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 60.42 1q53 s VAL 54 Cb -0.12 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1q53 s VAL 54 CO 0.19 0.42 -0.03 -0.94 -0.31 0.00 0.00 175.10 174.42 1q53 s SER 55 N 1.20 4.87 -0.01 4.85 1.04 -1.26 -4.97 113.70 119.43 1q53 s SER 55 Ca 0.03 -0.05 0.12 0.00 0.48 0.00 0.00 55.95 56.52 1q53 s SER 55 Cb -0.15 -1.62 -0.15 0.00 0.10 0.00 0.00 66.02 64.20 1q53 s SER 55 CO 0.01 0.24 0.37 0.00 0.98 0.00 0.00 173.24 174.84 1q53 n ILE 56 N 3.03 0.00 -2.66 -1.02 3.06 -1.26 -4.82 119.36 115.68 1q53 n ILE 56 Ca -0.18 -0.25 -0.04 0.00 -2.50 0.00 0.00 62.75 59.79 1q53 n ILE 56 Cb 0.53 0.62 0.10 0.00 0.54 0.00 0.00 39.64 41.42 1q53 n ILE 56 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1q53 n GLU 57 N -1.59 0.15 -4.21 9.51 2.13 -1.26 -4.98 120.64 120.39 1q53 n GLU 57 Ca 0.00 -0.73 -0.38 0.00 0.66 0.00 0.00 57.16 56.71 1q53 n GLU 57 Cb 0.24 -0.21 -0.04 0.00 0.27 0.00 0.00 31.44 31.70 1q53 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1q53 n ASN 58 N 0.93 -1.39 -4.07 4.31 5.15 -1.26 -4.88 115.26 114.05 1q53 n ASN 58 Ca -0.03 -1.29 -0.35 0.00 -0.60 0.00 0.00 54.58 52.32 1q53 n ASN 58 Cb 0.73 -1.63 -0.11 0.00 -0.53 0.00 0.00 39.78 38.24 1q53 n ASN 58 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1q53 s LEU 59 N -7.43 5.06 -0.23 1.20 1.43 -1.26 -5.03 118.68 112.42 1q53 s LEU 59 Ca 0.23 -2.60 -0.28 0.00 -1.03 0.00 0.00 54.13 50.45 1q53 s LEU 59 Cb -0.13 -1.80 0.15 0.00 0.03 0.00 0.00 46.19 44.44 1q53 s LEU 59 CO 0.99 -0.40 1.13 -1.38 0.23 0.00 0.00 176.35 176.92 1q53 s HIS 60 N 0.31 -0.30 -0.23 0.29 -3.43 -1.26 -4.85 115.29 105.82 1q53 s HIS 60 Ca 0.14 0.62 0.18 0.00 -0.80 0.00 0.00 55.06 55.20 1q53 s HIS 60 Cb -0.22 0.44 0.08 0.00 -1.43 0.00 0.00 32.58 31.45 1q53 s HIS 60 CO -0.03 -0.22 1.32 1.96 -2.00 0.00 0.00 174.74 175.77 1q53 h GLN 61 N 3.02 0.00 0.00 -0.38 1.08 -2.05 -3.46 115.11 113.32 1q53 h GLN 61 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1q53 h GLN 61 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1q53 h GLN 61 CO 0.22 0.28 0.00 0.41 -0.95 0.00 0.00 178.83 178.79 1q53 n GLY 62 N 1.22 0.35 0.15 3.46 0.00 -1.26 -5.06 105.19 104.05 1q53 n GLY 62 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.83 0.00 1.61 0.05 -1.90 -3.39 116.97 114.17 1q53 h TYR 63 Ca 0.00 -0.53 0.00 0.00 0.05 0.00 0.00 58.73 58.25 1q53 h TYR 63 Cb 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.68 1q53 h TYR 63 CO 0.00 1.39 0.00 2.41 -1.05 0.00 0.00 178.16 180.91 1q53 n THR 64 N -3.95 0.00 -3.66 -2.88 -1.04 -1.26 -4.33 114.28 97.16 1q53 n THR 64 Ca -0.14 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.79 1q53 n THR 64 Cb 0.90 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.39 1q53 n THR 64 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1q53 s HIS 65 N 0.00 -0.33 -0.01 -1.42 3.76 -1.26 -2.83 115.29 113.20 1q53 s HIS 65 Ca 0.00 0.00 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 1q53 s HIS 65 Cb 0.00 0.63 -0.00 0.00 1.11 0.00 0.00 32.58 34.32 1q53 s HIS 65 CO 0.00 -1.01 -0.05 0.96 -0.85 0.00 0.00 174.74 173.79 1q53 s ILE 66 N -3.75 0.41 -0.22 0.60 -4.36 -1.24 -3.54 121.20 109.10 1q53 s ILE 66 Ca 0.07 -0.21 -0.07 0.00 -0.26 0.00 0.00 60.65 60.18 1q53 s ILE 66 Cb -0.03 -0.36 -0.03 0.00 1.25 0.00 0.00 42.46 43.29 1q53 s ILE 66 CO -0.02 0.12 0.05 -0.36 0.24 0.00 0.00 174.94 174.97 1q53 s PHE 67 N -0.06 3.10 -0.18 1.37 0.08 0.58 -3.77 117.98 119.09 1q53 s PHE 67 Ca 0.01 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.72 1q53 s PHE 67 Cb -0.03 -2.16 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1q53 s PHE 67 CO -0.00 -0.24 -0.19 -1.21 -0.10 0.00 0.00 175.22 173.48 1q53 s GLU 68 N 1.21 2.90 -0.25 0.44 2.02 -1.24 -1.95 118.70 121.84 1q53 s GLU 68 Ca 0.04 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 54.10 1q53 s GLU 68 Cb -0.14 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1q53 s GLU 68 CO 0.03 -0.24 0.09 0.45 0.02 0.00 0.00 175.26 175.61 1q53 s SER 69 N 1.29 5.31 -0.10 -0.19 0.15 -1.19 -2.98 113.70 115.98 1q53 s SER 69 Ca 0.04 -0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.27 1q53 s SER 69 Cb -0.13 -1.96 -0.02 0.00 -1.71 0.00 0.00 66.02 62.19 1q53 s SER 69 CO -0.12 -0.02 0.88 -0.89 1.20 0.00 0.00 173.24 174.28 1q53 s THR 70 N 1.56 4.89 0.36 6.45 2.01 0.30 -2.85 115.64 128.35 1q53 s THR 70 Ca 0.06 1.78 0.07 0.00 0.31 0.00 0.00 61.69 63.91 1q53 s THR 70 Cb -0.15 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 68.09 1q53 s THR 70 CO 0.05 0.09 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.70 1q53 s PHE 71 N 1.63 2.29 -0.08 4.92 0.08 0.04 -1.98 117.98 124.87 1q53 s PHE 71 Ca 0.43 -0.71 -0.25 0.00 0.12 0.00 0.00 56.93 56.52 1q53 s PHE 71 Cb -0.18 -1.50 -0.28 0.00 -0.57 0.00 0.00 43.02 40.48 1q53 s PHE 71 CO 0.18 0.34 0.86 1.49 -0.10 0.00 0.00 175.22 177.99 1q53 h GLU 72 N 1.96 0.17 -2.79 0.44 4.81 -1.95 -2.90 114.58 114.32 1q53 h GLU 72 Ca -0.42 -0.28 0.08 0.00 -0.13 0.00 0.00 59.36 58.61 1q53 h GLU 72 Cb 1.24 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 1q53 h GLU 72 CO 0.75 1.12 0.35 -1.12 -0.73 0.00 0.00 179.01 179.37 1q53 s SER 73 N -6.61 -0.12 0.48 1.04 0.01 -1.26 -4.12 113.70 103.11 1q53 s SER 73 Ca -0.16 -0.75 0.17 0.00 1.31 0.00 0.00 55.95 56.52 1q53 s SER 73 Cb -0.01 0.69 1.13 0.00 0.21 0.00 0.00 66.02 68.04 1q53 s SER 73 CO 0.77 -1.31 2.04 0.07 0.41 0.00 0.00 173.24 175.22 1q53 h LYS 74 N 2.00 0.00 -0.33 12.44 2.10 -1.96 -1.05 116.57 129.77 1q53 h LYS 74 Ca -0.26 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.30 1q53 h LYS 74 Cb 1.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1q53 h LYS 74 CO 0.31 0.13 -0.20 0.93 -2.00 0.00 0.00 179.45 178.62 1q53 h GLU 75 N 0.00 0.63 -0.02 0.07 5.08 -2.00 -1.14 114.58 117.20 1q53 h GLU 75 Ca -0.00 -0.23 -0.18 0.00 -1.00 0.00 0.00 59.36 57.95 1q53 h GLU 75 Cb 0.24 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1q53 h GLU 75 CO 0.02 0.79 -0.77 0.00 -1.00 0.00 0.00 179.01 178.05 1q53 h ALA 76 N 1.22 0.66 -0.06 3.43 0.00 -1.63 -2.94 119.26 119.95 1q53 h ALA 76 Ca 0.09 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1q53 h ALA 76 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1q53 h ALA 76 CO 0.05 0.85 -0.41 -0.24 0.00 0.00 0.00 179.25 179.50 1q53 h VAL 77 N 0.12 1.30 -0.53 0.00 3.04 -0.86 -1.40 116.25 117.92 1q53 h VAL 77 Ca -0.03 -1.47 -0.01 0.00 -1.01 0.00 0.00 66.70 64.18 1q53 h VAL 77 Cb 1.35 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 32.32 1q53 h VAL 77 CO 0.12 0.43 0.29 0.00 -1.01 0.00 0.00 177.57 177.40 1q53 h ALA 78 N 1.48 0.68 -0.15 3.17 0.00 -1.04 1.04 119.26 124.44 1q53 h ALA 78 Ca 0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1q53 h ALA 78 Cb 0.77 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1q53 h ALA 78 CO 0.06 0.20 -0.50 0.93 0.00 0.00 0.00 179.25 179.94 1q53 h GLU 79 N 0.71 0.40 -0.17 0.00 3.07 -1.44 -0.87 114.58 116.29 1q53 h GLU 79 Ca 0.19 -0.23 -0.21 0.00 -0.50 0.00 0.00 59.36 58.60 1q53 h GLU 79 Cb 0.05 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1q53 h GLU 79 CO -0.03 0.81 -0.72 -0.92 -1.40 0.00 0.00 179.01 176.75 1q53 h TYR 80 N 0.32 1.05 0.00 4.33 5.03 -0.68 -2.94 116.97 124.08 1q53 h TYR 80 Ca 0.01 -0.45 -0.02 0.00 2.58 0.00 0.00 58.73 60.86 1q53 h TYR 80 Cb 0.99 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 39.10 1q53 h TYR 80 CO 0.03 1.28 -0.08 0.97 -1.32 0.00 0.00 178.16 179.04 1q53 h ILE 81 N 0.52 0.19 -0.44 1.81 2.10 0.12 -2.00 117.51 119.80 1q53 h ILE 81 Ca -0.04 -0.81 0.00 0.00 1.08 0.00 0.00 64.86 65.08 1q53 h ILE 81 Cb 1.35 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 38.77 1q53 h ILE 81 CO 0.15 0.08 0.00 0.00 -1.08 0.00 0.00 178.15 177.30 1q53 n ALA 82 N -2.14 3.16 -2.69 0.18 0.00 -0.34 -4.86 120.51 113.82 1q53 n ALA 82 Ca 0.01 -1.22 -0.37 0.00 0.00 0.00 0.00 53.44 51.86 1q53 n ALA 82 Cb 0.39 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.96 3.54 0.17 0.00 5.04 -0.75 -4.98 115.29 116.36 1q53 s HIS 83 Ca 0.37 0.72 0.02 0.00 -1.54 0.00 0.00 55.06 54.63 1q53 s HIS 83 Cb 0.26 -2.32 0.04 0.00 0.04 0.00 0.00 32.58 30.59 1q53 s HIS 83 CO 0.15 0.36 1.41 -1.00 -2.34 0.00 0.00 174.74 173.32 1q53 h PRO 84 N 6.09 0.25 -0.38 2.88 0.13 -1.90 -0.71 132.00 138.37 1q53 h PRO 84 Ca -0.45 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 64.42 1q53 h PRO 84 Cb 1.18 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1q53 h PRO 84 CO 0.71 0.94 0.18 0.00 -0.23 0.00 0.00 178.00 179.60 1q53 h ALA 85 N 0.98 0.49 -0.09 -0.56 0.00 -1.94 1.05 119.26 119.19 1q53 h ALA 85 Ca -0.04 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1q53 h ALA 85 Cb 1.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1q53 h ALA 85 CO 0.13 0.05 -0.68 1.25 0.00 0.00 0.00 179.25 180.00 1q53 h HIS 86 N 0.48 0.52 -0.15 0.00 -0.00 -1.85 -2.04 115.15 112.10 1q53 h HIS 86 Ca 0.13 -0.22 -0.03 0.00 -0.00 0.00 0.00 60.37 60.25 1q53 h HIS 86 Cb 0.12 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1q53 h HIS 86 CO -0.01 0.95 -0.04 0.28 -0.00 0.00 0.00 177.93 179.11 1q53 h VAL 87 N 0.28 1.29 -0.94 5.26 2.07 -0.70 0.71 116.25 124.22 1q53 h VAL 87 Ca -0.02 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.54 1q53 h VAL 87 Cb 1.24 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.60 1q53 h VAL 87 CO 0.12 0.29 0.62 -0.08 0.02 0.00 0.00 177.57 178.53 1q53 h GLU 88 N -0.02 1.17 -0.00 1.57 4.81 0.12 0.29 114.58 122.52 1q53 h GLU 88 Ca 0.04 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1q53 h GLU 88 Cb 0.47 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1q53 h GLU 88 CO 0.01 0.77 -0.03 0.35 -0.73 0.00 0.00 179.01 179.39 1q53 h PHE 89 N 1.21 0.03 -0.51 0.92 3.57 -1.22 -1.80 116.94 119.14 1q53 h PHE 89 Ca 0.37 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.95 1q53 h PHE 89 Cb -0.03 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1q53 h PHE 89 CO -0.01 0.70 0.35 0.00 -2.23 0.00 0.00 178.31 177.12 1q53 h ALA 90 N 0.32 2.09 -0.18 2.41 0.00 0.66 0.82 119.26 125.39 1q53 h ALA 90 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1q53 h ALA 90 Cb 0.71 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1q53 h ALA 90 CO 0.01 -0.20 -0.61 1.15 0.00 0.00 0.00 179.25 179.59 1q53 h THR 91 N 0.30 1.30 -0.01 0.00 2.02 -0.39 0.19 112.91 116.32 1q53 h THR 91 Ca 0.23 -1.83 -0.13 0.00 0.77 0.00 0.00 66.41 65.45 1q53 h THR 91 Cb 0.53 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1q53 h THR 91 CO -0.05 0.58 -0.60 0.40 0.37 0.00 0.00 175.52 176.22 1q53 h ILE 92 N 0.43 1.43 -0.06 3.11 2.04 -0.15 -2.24 117.51 122.07 1q53 h ILE 92 Ca -0.03 -2.05 -0.10 0.00 1.00 0.00 0.00 64.86 63.69 1q53 h ILE 92 Cb 1.24 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1q53 h ILE 92 CO 0.13 0.59 -0.33 0.15 0.00 0.00 0.00 178.15 178.68 1q53 h PHE 93 N 0.02 0.45 -0.41 1.37 3.04 0.67 -2.82 116.94 119.25 1q53 h PHE 93 Ca -0.01 -0.20 -0.01 0.00 3.98 0.00 0.00 57.97 61.73 1q53 h PHE 93 Cb 1.06 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.48 1q53 h PHE 93 CO 0.00 0.95 0.22 1.37 -2.02 0.00 0.00 178.31 178.83 1q53 h LEU 94 N -0.17 0.49 0.00 0.59 8.10 -0.92 0.24 115.31 123.64 1q53 h LEU 94 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.94 1q53 h LEU 94 Cb 1.00 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 41.09 1q53 h LEU 94 CO 0.07 0.40 0.00 0.61 -4.11 0.00 0.00 178.44 175.41 1q53 n GLY 95 N -1.34 -1.06 0.09 0.17 0.00 -0.85 -3.10 105.19 99.10 1q53 n GLY 95 Ca 0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1q53 n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q53 n SER 96 N -1.13 1.60 -4.74 1.61 3.41 0.66 -4.94 113.62 110.10 1q53 n SER 96 Ca 0.18 -0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.38 1q53 n SER 96 Cb 0.16 0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 1q53 n SER 96 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1q53 s LEU 97 N -5.53 4.28 0.00 1.04 1.43 -0.03 -3.37 118.68 116.50 1q53 s LEU 97 Ca -0.15 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1q53 s LEU 97 Cb 0.06 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1q53 s LEU 97 CO 0.58 0.09 0.84 0.47 0.23 0.00 0.00 176.35 178.56 1q53 n ASP 98 N 3.40 0.00 -4.86 2.29 8.00 0.47 -4.68 116.55 121.17 1q53 n ASP 98 Ca -0.10 0.84 -0.29 0.00 0.71 0.00 0.00 54.79 55.95 1q53 n ASP 98 Cb 0.52 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1q53 n ASP 98 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1q53 s LYS 99 N -2.36 3.19 -0.18 -1.24 2.36 -1.17 -4.93 119.74 115.42 1q53 s LYS 99 Ca 0.00 -0.61 -0.11 0.00 -2.55 0.00 0.00 55.97 52.70 1q53 s LYS 99 Cb 0.00 -2.87 0.06 0.00 -1.05 0.00 0.00 37.83 33.97 1q53 s LYS 99 CO 0.00 0.56 0.44 0.54 1.55 0.00 0.00 175.35 178.44 1q53 s VAL 100 N -1.56 -0.02 -0.06 4.02 0.11 -1.26 -0.59 120.40 121.04 1q53 s VAL 100 Ca 0.33 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.46 1q53 s VAL 100 Cb -0.12 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1q53 s VAL 100 CO 0.26 0.03 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.76 1q53 s LEU 101 N 1.22 1.40 -0.26 2.54 1.98 0.15 -4.99 118.68 120.73 1q53 s LEU 101 Ca -0.08 -0.21 -0.12 0.00 -2.89 0.00 0.00 54.13 50.84 1q53 s LEU 101 Cb -0.07 -0.63 -0.05 0.00 0.66 0.00 0.00 46.19 46.10 1q53 s LEU 101 CO -0.11 -0.03 0.22 0.54 -1.89 0.00 0.00 176.35 175.08 1q53 s VAL 102 N 0.94 5.30 0.08 1.68 0.11 -1.26 -1.99 120.40 125.26 1q53 s VAL 102 Ca -0.10 0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.26 1q53 s VAL 102 Cb -0.15 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 1q53 s VAL 102 CO 0.00 0.28 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.30 1q53 s ILE 103 N 1.48 1.01 -0.07 7.04 -1.09 0.17 -5.02 121.20 124.72 1q53 s ILE 103 Ca 0.09 -1.40 0.02 0.00 -2.23 0.00 0.00 60.65 57.14 1q53 s ILE 103 Cb -0.15 -1.12 -0.03 0.00 -1.58 0.00 0.00 42.46 39.59 1q53 s ILE 103 CO 0.08 -0.35 -0.10 -1.81 -1.23 0.00 0.00 174.94 171.53 1q53 s ASP 104 N -1.96 4.34 -0.21 3.58 1.01 -1.26 0.49 116.67 122.66 1q53 s ASP 104 Ca -0.00 -0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.15 1q53 s ASP 104 Cb -0.08 -1.07 0.04 0.00 1.01 0.00 0.00 42.92 42.82 1q53 s ASP 104 CO 0.02 0.34 -0.11 -0.47 0.21 0.00 0.00 175.17 175.15 1q53 s TYR 105 N -0.66 2.55 0.04 4.23 6.14 -0.84 -4.78 117.35 124.02 1q53 s TYR 105 Ca 0.10 -1.70 0.08 0.00 0.64 0.00 0.00 57.07 56.19 1q53 s TYR 105 Cb -0.11 -1.69 -0.03 0.00 0.42 0.00 0.00 41.96 40.55 1q53 s TYR 105 CO 0.01 -0.77 -0.22 0.15 0.64 0.00 0.00 175.55 175.37 1q53 s LYS 106 N 1.35 1.46 -0.91 4.97 1.02 -1.26 -3.28 119.74 123.10 1q53 s LYS 106 Ca -0.02 -0.97 -0.24 0.00 0.02 0.00 0.00 55.97 54.76 1q53 s LYS 106 Cb -0.17 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 1q53 s LYS 106 CO -0.08 0.41 1.67 -1.25 -0.92 0.00 0.00 175.35 175.18 1q53 s PRO 107 N -1.18 3.05 -0.63 -1.68 0.04 -1.26 -4.85 135.00 128.49 1q53 s PRO 107 Ca 0.08 -0.54 0.06 0.00 0.04 0.00 0.00 61.00 60.64 1q53 s PRO 107 Cb -0.09 -5.03 0.25 0.00 0.04 0.00 0.00 34.50 29.67 1q53 s PRO 107 CO 0.02 -2.72 0.74 2.41 0.04 0.00 0.00 177.00 177.49 1q53 n THR 108 N 7.26 2.22 -2.71 1.26 -1.04 -1.26 -4.99 114.28 115.02 1q53 n THR 108 Ca 0.32 -5.17 -0.27 0.00 -2.04 0.00 0.00 64.05 56.89 1q53 n THR 108 Cb 0.49 -2.08 -0.00 0.00 -1.82 0.00 0.00 70.33 66.91 1q53 n THR 108 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1q53 s SER 109 N -2.43 6.29 -0.05 8.00 0.01 -1.26 -5.08 113.70 119.18 1q53 s SER 109 Ca 0.40 0.91 -0.04 0.00 1.31 0.00 0.00 55.95 58.54 1q53 s SER 109 Cb 0.15 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1q53 s SER 109 CO -0.02 -0.54 0.14 -0.69 0.41 0.00 0.00 173.24 172.54 1q53 s VAL 110 N -2.67 5.26 -0.01 3.43 1.01 -1.26 -5.06 120.40 121.10 1q53 s VAL 110 Ca 0.47 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1q53 s VAL 110 Cb -0.10 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1q53 s VAL 110 CO 0.43 0.44 1.38 -0.94 0.00 0.00 0.00 175.10 176.41 1q53 s SER 111 N -1.54 6.87 0.00 3.32 1.04 -1.26 -5.34 113.70 116.79 1q53 s SER 111 Ca 0.22 2.07 0.06 0.00 0.48 0.00 0.00 55.95 58.77 1q53 s SER 111 Cb -0.12 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.48 1q53 s SER 111 CO 0.12 -0.71 0.68 0.00 0.98 0.00 0.00 173.24 174.31