#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q53 n SER 2 N 0.00 -0.08 -0.04 1.61 2.88 -1.26 -5.03 113.62 111.70 1q53 n SER 2 Ca 0.00 0.02 -0.02 0.00 -1.33 0.00 0.00 58.87 57.54 1q53 n SER 2 Cb 0.00 0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 1q53 n SER 2 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1q53 h HIS 3 N 0.00 0.00 -0.30 0.66 -0.00 -2.11 -3.46 115.15 109.93 1q53 h HIS 3 Ca 0.00 0.00 -0.74 0.00 -0.00 0.00 0.00 60.37 59.63 1q53 h HIS 3 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1q53 h HIS 3 CO 0.00 0.00 1.03 -0.12 -0.00 0.00 0.00 177.93 178.84 1q53 n MET 4 N -3.71 0.00 -2.12 5.26 0.00 -1.26 -4.75 117.12 110.55 1q53 n MET 4 Ca -0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.70 57.28 1q53 n MET 4 Cb 0.12 -1.38 -0.03 0.00 0.00 0.00 0.00 33.22 31.93 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 4.62 2.71 -0.33 2.12 2.02 -1.26 -4.94 118.70 123.64 1q53 s GLU 5 Ca 1.06 0.49 -0.25 0.00 0.02 0.00 0.00 54.97 56.29 1q53 s GLU 5 Cb -1.38 -4.36 0.01 0.00 0.10 0.00 0.00 34.13 28.50 1q53 s GLU 5 CO 0.66 -2.64 0.87 -1.21 0.02 0.00 0.00 175.26 172.95 1q53 s GLU 6 N 6.84 3.91 0.44 1.61 0.41 -1.26 -5.01 118.70 125.65 1q53 s GLU 6 Ca 0.63 0.62 -0.24 0.00 -0.41 0.00 0.00 54.97 55.56 1q53 s GLU 6 Cb -0.12 -3.76 -0.09 0.00 -1.78 0.00 0.00 34.13 28.38 1q53 s GLU 6 CO 0.20 -0.81 1.16 0.00 -0.49 0.00 0.00 175.26 175.31 1q53 n ALA 7 N 6.49 0.82 -1.03 5.21 0.00 -1.26 -4.86 120.51 125.88 1q53 n ALA 7 Ca 0.06 0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.47 1q53 n ALA 7 Cb 0.48 -2.19 0.08 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.09 2.22 -0.79 0.00 4.76 -1.26 -4.93 118.16 118.06 1q53 n LYS 8 Ca 0.08 -2.50 -0.03 0.00 -2.87 0.00 0.00 58.31 52.99 1q53 n LYS 8 Cb 0.40 -1.98 0.02 0.00 -1.84 0.00 0.00 35.03 31.63 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q53 n GLY 9 N -0.50 0.56 0.14 0.72 0.00 -1.26 -4.67 105.19 100.19 1q53 n GLY 9 Ca 0.48 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.53 1q53 n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q53 h PRO 10 N 0.00 -0.27 -6.40 1.61 0.13 -1.85 -3.48 132.00 121.74 1q53 h PRO 10 Ca -0.04 0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.42 1q53 h PRO 10 Cb 0.15 0.06 -0.23 0.00 0.13 0.00 0.00 31.00 31.11 1q53 h PRO 10 CO 0.04 -0.18 -0.78 0.08 -0.23 0.00 0.00 178.00 176.93 1q53 s VAL 11 N -2.44 2.94 -0.13 1.56 1.01 -1.26 -4.73 120.40 117.35 1q53 s VAL 11 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1q53 s VAL 11 Cb 0.00 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 1q53 s VAL 11 CO 0.12 0.52 -0.18 -0.54 0.00 0.00 0.00 175.10 175.03 1q53 s LYS 12 N -0.92 3.19 -0.30 2.72 1.02 -0.85 -3.97 119.74 120.63 1q53 s LYS 12 Ca 0.12 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.22 1q53 s LYS 12 Cb -0.11 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1q53 s LYS 12 CO 0.02 0.10 0.19 -1.58 -0.92 0.00 0.00 175.35 173.16 1q53 s HIS 13 N 0.58 3.21 -0.28 3.18 5.65 -1.19 0.42 115.29 126.85 1q53 s HIS 13 Ca -0.10 -0.11 -0.12 0.00 0.25 0.00 0.00 55.06 54.98 1q53 s HIS 13 Cb -0.16 -2.39 -0.04 0.00 -1.18 0.00 0.00 32.58 28.80 1q53 s HIS 13 CO 0.03 -0.27 0.26 0.08 -0.65 0.00 0.00 174.74 174.19 1q53 s VAL 14 N 1.72 5.26 -0.01 0.89 1.01 0.44 -2.71 120.40 127.00 1q53 s VAL 14 Ca 0.06 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1q53 s VAL 14 Cb -0.16 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1q53 s VAL 14 CO 0.10 0.19 -0.07 -1.48 0.00 0.00 0.00 175.10 173.84 1q53 s LEU 15 N 1.86 2.00 0.06 3.92 0.05 -0.93 0.55 118.68 126.20 1q53 s LEU 15 Ca 0.09 -0.12 0.08 0.00 0.05 0.00 0.00 54.13 54.23 1q53 s LEU 15 Cb -0.16 -0.35 -0.03 0.00 -2.05 0.00 0.00 46.19 43.60 1q53 s LEU 15 CO 0.11 0.08 -0.19 -1.48 -0.55 0.00 0.00 176.35 174.31 1q53 s LEU 16 N -0.15 2.56 0.02 1.48 -0.00 -0.59 0.13 118.68 122.14 1q53 s LEU 16 Ca 0.02 -0.49 0.01 0.00 -0.00 0.00 0.00 54.13 53.67 1q53 s LEU 16 Cb -0.03 -1.48 -0.01 0.00 -0.00 0.00 0.00 46.19 44.67 1q53 s LEU 16 CO -0.00 0.23 -0.03 0.00 -0.00 0.00 0.00 176.35 176.55 1q53 s ALA 17 N -0.97 0.22 -0.06 1.48 0.00 -1.19 -0.92 121.76 120.32 1q53 s ALA 17 Ca 0.15 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1q53 s ALA 17 Cb -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1q53 s ALA 17 CO 0.06 -0.05 -0.24 -1.12 0.00 0.00 0.00 175.76 174.40 1q53 s SER 18 N -0.90 3.00 -0.34 0.00 0.01 0.24 -4.12 113.70 111.59 1q53 s SER 18 Ca -0.08 -0.50 -0.18 0.00 1.31 0.00 0.00 55.95 56.50 1q53 s SER 18 Cb -0.06 -0.84 -0.01 0.00 0.21 0.00 0.00 66.02 65.32 1q53 s SER 18 CO -0.00 0.24 0.51 -0.36 0.41 0.00 0.00 173.24 174.03 1q53 s PHE 19 N -0.13 3.19 1.06 2.43 0.40 -1.26 0.98 117.98 124.64 1q53 s PHE 19 Ca -0.04 0.20 -0.22 0.00 -0.60 0.00 0.00 56.93 56.27 1q53 s PHE 19 Cb -0.14 -2.90 -0.04 0.00 0.51 0.00 0.00 43.02 40.46 1q53 s PHE 19 CO 0.04 -0.52 -0.68 1.63 0.70 0.00 0.00 175.22 176.39 1q53 n LYS 20 N 5.71 -0.83 -3.00 0.44 5.02 -1.26 -4.78 118.16 119.47 1q53 n LYS 20 Ca -0.05 -0.23 -0.40 0.00 -2.02 0.00 0.00 58.31 55.60 1q53 n LYS 20 Cb 0.49 -1.38 -0.05 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.46 6.91 0.00 4.39 2.15 -1.26 -3.86 116.67 123.54 1q53 s ASP 21 Ca 0.47 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.55 1q53 s ASP 21 Cb -0.03 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1q53 s ASP 21 CO 0.67 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 176.01 1q53 n GLY 22 N 3.41 1.90 3.81 2.66 0.00 -1.26 -5.10 105.19 110.61 1q53 n GLY 22 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 5.30 0.49 1.61 1.01 -1.25 -5.07 120.40 120.49 1q53 s VAL 23 Ca 0.00 0.49 -0.21 0.00 0.00 0.00 0.00 61.98 62.26 1q53 s VAL 23 Cb 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1q53 s VAL 23 CO 0.00 0.52 1.11 -0.44 0.00 0.00 0.00 175.10 176.29 1q53 s SER 24 N -0.47 6.12 0.12 3.32 0.01 -1.26 -4.96 113.70 116.58 1q53 s SER 24 Ca 0.17 2.13 -0.08 0.00 1.31 0.00 0.00 55.95 59.49 1q53 s SER 24 Cb -0.14 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.40 1q53 s SER 24 CO 0.06 -0.94 1.30 1.55 0.41 0.00 0.00 173.24 175.62 1q53 h PRO 25 N 1.67 0.56 -0.28 12.44 0.13 -2.00 -3.09 132.00 141.42 1q53 h PRO 25 Ca -0.49 -0.54 0.08 0.00 -0.87 0.00 0.00 66.00 64.17 1q53 h PRO 25 Cb 1.24 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 1q53 h PRO 25 CO 0.59 1.17 0.21 0.93 -0.23 0.00 0.00 178.00 180.67 1q53 h GLU 26 N 0.34 0.00 -0.01 0.86 5.08 -2.00 0.20 114.58 119.05 1q53 h GLU 26 Ca -0.08 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.08 1q53 h GLU 26 Cb 1.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1q53 h GLU 26 CO 0.17 0.00 -0.85 -0.22 -1.00 0.00 0.00 179.01 177.11 1q53 h LYS 27 N 0.00 0.28 0.01 2.33 3.64 -1.94 -1.74 116.57 119.16 1q53 h LYS 27 Ca 0.14 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1q53 h LYS 27 Cb 0.55 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1q53 h LYS 27 CO -0.00 0.98 -0.00 0.82 -2.27 0.00 0.00 179.45 178.97 1q53 h ILE 28 N 0.17 1.06 -0.52 2.00 2.04 -0.58 -0.27 117.51 121.42 1q53 h ILE 28 Ca -0.05 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1q53 h ILE 28 Cb 1.46 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1q53 h ILE 28 CO 0.14 0.05 0.04 1.05 0.00 0.00 0.00 178.15 179.43 1q53 h GLU 29 N -0.10 0.84 -0.62 2.37 4.11 -1.36 -1.07 114.58 118.75 1q53 h GLU 29 Ca -0.00 -0.21 0.01 0.00 0.07 0.00 0.00 59.36 59.23 1q53 h GLU 29 Cb 0.10 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1q53 h GLU 29 CO 0.00 0.82 0.40 0.93 0.07 0.00 0.00 179.01 181.23 1q53 h GLU 30 N 0.79 0.79 -0.23 1.06 4.39 -0.94 1.34 114.58 121.78 1q53 h GLU 30 Ca 0.16 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 1q53 h GLU 30 Cb 0.42 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1q53 h GLU 30 CO 0.01 0.52 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.98 1q53 h LEU 31 N 0.81 0.50 0.13 1.33 4.07 -0.71 0.26 115.31 121.70 1q53 h LEU 31 Ca 0.24 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1q53 h LEU 31 Cb -0.05 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.55 1q53 h LEU 31 CO -0.07 0.81 -0.06 0.40 -1.08 0.00 0.00 178.44 178.43 1q53 h ILE 32 N 0.41 1.02 -0.53 1.22 2.04 -0.22 -1.96 117.51 119.49 1q53 h ILE 32 Ca 0.05 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.82 1q53 h ILE 32 Cb 0.79 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1q53 h ILE 32 CO 0.06 0.24 0.35 0.07 0.00 0.00 0.00 178.15 178.88 1q53 h LYS 33 N -0.74 0.66 0.03 2.37 2.10 0.18 -2.31 116.57 118.86 1q53 h LYS 33 Ca -0.02 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1q53 h LYS 33 Cb 0.53 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1q53 h LYS 33 CO 0.03 0.44 -0.01 0.78 -2.00 0.00 0.00 179.45 178.68 1q53 h GLY 34 N 0.68 -0.04 -1.20 0.07 0.00 -0.43 -2.56 103.07 99.58 1q53 h GLY 34 Ca 0.20 0.01 0.45 0.00 0.00 0.00 0.00 47.33 48.00 1q53 h GLY 34 CO -0.05 -0.01 0.76 -1.82 0.00 0.00 0.00 176.54 175.41 1q53 h TYR 35 N -0.12 0.63 -0.15 5.60 5.03 -0.75 1.77 116.97 128.98 1q53 h TYR 35 Ca -0.00 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 1q53 h TYR 35 Cb 0.11 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.24 1q53 h TYR 35 CO -0.05 -0.35 -0.03 0.00 -1.32 0.00 0.00 178.16 176.41 1q53 h ALA 36 N 1.75 0.21 0.00 1.82 0.00 -1.49 -2.66 119.26 118.89 1q53 h ALA 36 Ca 0.86 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.49 1q53 h ALA 36 Cb 2.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.32 1q53 h ALA 36 CO -0.58 -0.04 -0.25 -0.91 0.00 0.00 0.00 179.25 177.47 1q53 h ASN 37 N -0.01 0.00 -0.50 0.00 4.21 0.23 -2.20 115.58 117.32 1q53 h ASN 37 Ca 0.04 0.00 0.14 0.00 1.21 0.00 0.00 56.30 57.69 1q53 h ASN 37 Cb 0.45 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 1q53 h ASN 37 CO 0.01 0.25 0.36 -0.07 -1.29 0.00 0.00 177.43 176.70 1q53 h LEU 38 N 0.00 0.00 -0.83 1.61 3.38 0.12 0.48 115.31 120.07 1q53 h LEU 38 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1q53 h LEU 38 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1q53 h LEU 38 CO 0.03 0.00 -0.16 1.62 0.09 0.00 0.00 178.44 180.02 1q53 h VAL 39 N 0.00 1.26 -0.00 1.22 3.04 -1.39 -1.17 116.25 119.21 1q53 h VAL 39 Ca 0.24 -1.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 1q53 h VAL 39 Cb 0.96 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1q53 h VAL 39 CO -0.00 0.40 -0.05 -3.20 -1.01 0.00 0.00 177.57 173.71 1q53 n ASN 40 N -4.15 0.13 -0.06 3.17 5.15 0.16 -2.60 115.26 117.05 1q53 n ASN 40 Ca 0.01 -0.08 -0.16 0.00 -0.60 0.00 0.00 54.58 53.75 1q53 n ASN 40 Cb 0.38 -0.26 -0.13 0.00 -0.53 0.00 0.00 39.78 39.24 1q53 n ASN 40 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1q53 h LEU 41 N 0.12 0.07 0.00 1.20 -0.00 0.08 -3.43 115.31 113.34 1q53 h LEU 41 Ca 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 57.88 56.95 1q53 h LEU 41 Cb 0.37 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1q53 h LEU 41 CO 0.00 1.13 0.00 -0.38 -0.00 0.00 0.00 178.44 179.19 1q53 n ILE 42 N -4.51 0.00 0.00 1.22 5.41 -0.93 -4.98 119.36 115.57 1q53 n ILE 42 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1q53 n ILE 42 Cb 0.56 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 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 -0.25 0.00 0.00 0.38 1.02 -1.07 -5.06 120.64 115.66 1q53 n GLU 43 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1q53 n GLU 43 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.00 0.00 -3.00 3.49 -0.04 -1.26 -4.91 135.00 129.28 1q53 n PRO 44 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1q53 n PRO 44 Cb 0.00 -0.12 -0.01 0.00 -0.04 0.00 0.00 33.50 33.33 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 0.00 -1.74 0.00 0.54 1.56 -1.26 -4.87 117.12 111.35 1q53 n MET 45 Ca 0.00 1.62 0.00 0.00 -0.27 0.00 0.00 57.70 59.05 1q53 n MET 45 Cb 0.00 -2.10 0.00 0.00 2.15 0.00 0.00 33.22 33.27 1q53 n MET 45 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1q53 n LYS 46 N 1.77 0.00 -3.64 2.12 4.01 -1.14 -4.86 118.16 116.42 1q53 n LYS 46 Ca -0.07 0.17 -0.12 0.00 -0.51 0.00 0.00 58.31 57.79 1q53 n LYS 46 Cb 0.27 -0.68 -0.05 0.00 -0.51 0.00 0.00 35.03 34.06 1q53 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q53 s ALA 47 N -2.99 -1.04 -0.31 7.82 0.00 -1.26 -5.05 121.76 118.92 1q53 s ALA 47 Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 1q53 s ALA 47 Cb 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1q53 s ALA 47 CO 0.00 -0.53 0.18 0.12 0.00 0.00 0.00 175.76 175.53 1q53 s PHE 48 N -2.93 3.20 -0.01 0.00 5.36 -1.26 -3.67 117.98 118.67 1q53 s PHE 48 Ca -0.02 -0.24 0.06 0.00 -0.96 0.00 0.00 56.93 55.76 1q53 s PHE 48 Cb 0.00 -2.39 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 1q53 s PHE 48 CO -0.06 -0.33 -0.18 -1.01 -1.46 0.00 0.00 175.22 172.18 1q53 s HIS 49 N 1.69 2.57 0.13 10.12 3.76 -1.13 -5.07 115.29 127.37 1q53 s HIS 49 Ca 0.06 -0.25 -0.09 0.00 -0.15 0.00 0.00 55.06 54.63 1q53 s HIS 49 Cb -0.17 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 31.98 1q53 s HIS 49 CO 0.09 0.17 0.23 1.67 -0.85 0.00 0.00 174.74 176.04 1q53 s TRP 50 N -0.78 0.30 0.10 1.40 1.48 -1.26 -2.12 118.94 118.04 1q53 s TRP 50 Ca 0.12 -0.69 -0.18 0.00 -1.06 0.00 0.00 56.10 54.29 1q53 s TRP 50 Cb -0.10 -0.07 0.04 0.00 -1.16 0.00 0.00 33.47 32.17 1q53 s TRP 50 CO 0.02 -0.63 0.45 0.20 -4.06 0.00 0.00 176.95 172.93 1q53 s GLY 51 N -2.92 -0.34 -0.00 3.67 0.00 -1.23 -5.03 107.32 101.46 1q53 s GLY 51 Ca 0.12 0.21 0.06 0.00 0.00 0.00 0.00 44.72 45.10 1q53 s GLY 51 CO -0.05 -0.07 -0.17 1.25 0.00 0.00 0.00 173.10 174.06 1q53 s LYS 52 N -3.25 2.26 0.02 2.90 2.20 -1.26 -3.32 119.74 119.29 1q53 s LYS 52 Ca -0.01 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.44 1q53 s LYS 52 Cb 0.01 -2.26 -0.06 0.00 -1.51 0.00 0.00 37.83 34.01 1q53 s LYS 52 CO -0.08 0.58 1.37 0.16 -0.36 0.00 0.00 175.35 177.01 1q53 s ASP 53 N -1.10 6.88 0.15 1.43 1.47 -1.17 -4.98 116.67 119.35 1q53 s ASP 53 Ca 0.13 2.13 -0.30 0.00 1.18 0.00 0.00 52.55 55.69 1q53 s ASP 53 Cb -0.11 -2.57 -0.07 0.00 -0.34 0.00 0.00 42.92 39.84 1q53 s ASP 53 CO 0.03 -0.67 0.96 0.68 0.68 0.00 0.00 175.17 176.85 1q53 s VAL 54 N 2.01 4.36 -0.49 2.11 -7.23 -1.26 -4.90 120.40 115.01 1q53 s VAL 54 Ca 0.63 2.06 -0.44 0.00 -1.81 0.00 0.00 61.98 62.42 1q53 s VAL 54 Cb -0.32 -4.31 -0.19 0.00 0.56 0.00 0.00 36.38 32.12 1q53 s VAL 54 CO 0.27 0.37 1.85 -1.20 -0.31 0.00 0.00 175.10 176.08 1q53 n SER 55 N 2.42 0.93 -0.80 4.85 7.64 -1.26 -4.77 113.62 122.63 1q53 n SER 55 Ca 0.01 0.89 0.07 0.00 1.01 0.00 0.00 58.87 60.85 1q53 n SER 55 Cb 0.48 -0.87 0.20 0.00 -1.01 0.00 0.00 64.21 63.02 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 5.24 1.41 0.00 0.44 0.13 -1.26 -4.98 119.36 120.34 1q53 n ILE 56 Ca 0.43 -1.25 0.00 0.00 -1.10 0.00 0.00 62.75 60.83 1q53 n ILE 56 Cb -0.05 0.27 0.00 0.00 -0.84 0.00 0.00 39.64 39.02 1q53 n ILE 56 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1q53 n GLU 57 N 0.32 0.00 0.00 9.51 0.00 -1.26 -4.24 120.64 124.97 1q53 n GLU 57 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1q53 n GLU 57 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.03 1q53 n GLU 57 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1q53 n ASN 58 N 3.20 0.00 -2.66 4.31 2.85 -1.26 -5.06 115.26 116.63 1q53 n ASN 58 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1q53 n ASN 58 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 1q53 n ASN 58 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1q53 n LEU 59 N 0.00 -1.29 -3.86 1.20 4.77 -1.26 -5.15 117.00 111.41 1q53 n LEU 59 Ca 0.00 -2.12 -0.10 0.00 -0.03 0.00 0.00 56.01 53.75 1q53 n LEU 59 Cb 0.00 0.69 -0.09 0.00 -2.33 0.00 0.00 43.42 41.69 1q53 n LEU 59 CO 0.00 1.29 -0.13 -1.38 -1.33 0.00 0.00 177.39 175.84 1q53 s HIS 60 N 0.06 0.08 -0.35 -1.77 -3.43 -1.26 -5.04 115.29 103.58 1q53 s HIS 60 Ca 0.07 -0.28 0.23 0.00 -0.80 0.00 0.00 55.06 54.27 1q53 s HIS 60 Cb 0.13 -0.05 -0.01 0.00 -1.43 0.00 0.00 32.58 31.22 1q53 s HIS 60 CO -0.03 -0.39 0.98 1.04 -2.00 0.00 0.00 174.74 174.33 1q53 n GLN 61 N 0.83 0.49 0.00 -0.38 3.00 -1.26 -4.93 117.38 115.14 1q53 n GLN 61 Ca -0.20 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1q53 n GLN 61 Cb 0.58 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 29.13 1q53 n GLN 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q53 n GLY 62 N 1.26 0.87 0.32 1.08 0.00 -1.26 -5.04 105.19 102.42 1q53 n GLY 62 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 1.12 0.00 1.61 -1.99 -1.91 -3.42 116.97 112.37 1q53 h TYR 63 Ca 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1q53 h TYR 63 Cb 0.00 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.40 1q53 h TYR 63 CO 0.00 0.85 0.00 0.25 -0.00 0.00 0.00 178.16 179.26 1q53 n THR 64 N -4.34 0.00 -3.84 -2.88 -2.24 -1.26 -4.35 114.28 95.37 1q53 n THR 64 Ca 0.06 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.77 1q53 n THR 64 Cb 0.18 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 1q53 n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1q53 s HIS 65 N 0.00 -0.11 -0.02 4.78 3.76 -1.26 -3.05 115.29 119.38 1q53 s HIS 65 Ca 0.00 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 1q53 s HIS 65 Cb 0.00 0.73 0.02 0.00 1.11 0.00 0.00 32.58 34.44 1q53 s HIS 65 CO 0.00 -1.28 -0.02 0.96 -0.85 0.00 0.00 174.74 173.55 1q53 s ILE 66 N -3.48 0.27 -0.31 0.60 -4.36 -1.21 -3.15 121.20 109.57 1q53 s ILE 66 Ca 0.12 -0.03 -0.11 0.00 -0.26 0.00 0.00 60.65 60.38 1q53 s ILE 66 Cb -0.05 -0.31 -0.02 0.00 1.25 0.00 0.00 42.46 43.32 1q53 s ILE 66 CO 0.08 0.14 0.19 -0.36 0.24 0.00 0.00 174.94 175.22 1q53 s PHE 67 N 0.65 3.20 -0.23 1.37 0.08 0.35 -3.58 117.98 119.82 1q53 s PHE 67 Ca -0.07 -0.24 -0.05 0.00 0.12 0.00 0.00 56.93 56.69 1q53 s PHE 67 Cb -0.10 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 1q53 s PHE 67 CO -0.01 -0.33 -0.00 -2.00 -0.10 0.00 0.00 175.22 172.77 1q53 s GLU 68 N 1.69 3.45 -0.19 0.44 -6.30 -0.90 -2.19 118.70 114.70 1q53 s GLU 68 Ca 0.06 -0.59 -0.03 0.00 -2.50 0.00 0.00 54.97 51.91 1q53 s GLU 68 Cb -0.17 -3.12 -0.02 0.00 0.00 0.00 0.00 34.13 30.83 1q53 s GLU 68 CO 0.09 -0.21 -0.05 0.45 0.02 0.00 0.00 175.26 175.56 1q53 s SER 69 N 1.52 4.42 -0.17 -1.70 0.15 -1.10 -2.82 113.70 114.01 1q53 s SER 69 Ca 0.06 -0.30 -0.17 0.00 0.70 0.00 0.00 55.95 56.24 1q53 s SER 69 Cb -0.15 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 1q53 s SER 69 CO -0.01 0.07 0.44 -0.89 1.20 0.00 0.00 173.24 174.05 1q53 s THR 70 N 0.96 5.19 0.31 6.45 2.01 -1.24 -3.19 115.64 126.14 1q53 s THR 70 Ca -0.00 0.83 0.07 0.00 0.31 0.00 0.00 61.69 62.90 1q53 s THR 70 Cb -0.15 -3.77 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 1q53 s THR 70 CO 0.01 0.28 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.80 1q53 s PHE 71 N 1.04 2.13 0.02 4.92 0.08 -1.25 -2.87 117.98 122.03 1q53 s PHE 71 Ca 0.22 -0.65 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 1q53 s PHE 71 Cb -0.15 -1.25 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 1q53 s PHE 71 CO 0.09 0.37 1.14 1.49 -0.10 0.00 0.00 175.22 178.20 1q53 h GLU 72 N 2.16 -0.34 0.00 0.44 4.81 -1.91 -3.39 114.58 116.34 1q53 h GLU 72 Ca -0.41 0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.61 1q53 h GLU 72 Cb 1.24 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.64 1q53 h GLU 72 CO 0.69 -0.23 -0.15 -1.13 -0.73 0.00 0.00 179.01 177.47 1q53 n SER 73 N -2.97 -0.94 0.14 1.04 3.41 -1.26 -4.57 113.62 108.46 1q53 n SER 73 Ca -0.04 -2.44 0.05 0.00 -0.26 0.00 0.00 58.87 56.17 1q53 n SER 73 Cb 0.14 1.80 0.50 0.00 -0.26 0.00 0.00 64.21 66.38 1q53 n SER 73 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1q53 h LYS 74 N 0.00 0.23 -0.26 4.33 2.10 -1.99 0.80 116.57 121.78 1q53 h LYS 74 Ca -0.20 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.31 1q53 h LYS 74 Cb 0.89 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 1q53 h LYS 74 CO 0.27 0.22 -0.34 0.93 -2.00 0.00 0.00 179.45 178.53 1q53 h GLU 75 N 0.24 0.57 -0.00 0.07 5.08 -2.01 -2.72 114.58 115.80 1q53 h GLU 75 Ca 0.06 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 57.99 1q53 h GLU 75 Cb 0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1q53 h GLU 75 CO -0.00 0.84 -0.80 0.00 -1.00 0.00 0.00 179.01 178.05 1q53 h ALA 76 N 1.15 0.68 -0.84 3.43 0.00 -1.57 -3.06 119.26 119.04 1q53 h ALA 76 Ca 0.05 -0.71 0.14 0.00 0.00 0.00 0.00 54.91 54.39 1q53 h ALA 76 Cb 0.82 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1q53 h ALA 76 CO 0.07 0.96 0.55 0.28 0.00 0.00 0.00 179.25 181.11 1q53 h VAL 77 N 0.03 0.83 -0.42 0.00 2.07 -0.58 0.31 116.25 118.50 1q53 h VAL 77 Ca -0.01 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 1q53 h VAL 77 Cb 1.40 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1q53 h VAL 77 CO 0.11 0.11 -0.26 0.00 0.02 0.00 0.00 177.57 177.55 1q53 h ALA 78 N 1.61 0.76 0.05 1.67 0.00 -1.48 0.02 119.26 121.90 1q53 h ALA 78 Ca 0.42 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1q53 h ALA 78 Cb 0.74 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1q53 h ALA 78 CO -0.17 0.66 -0.02 0.93 0.00 0.00 0.00 179.25 180.64 1q53 h GLU 79 N 0.74 -0.06 -0.20 0.00 3.07 -0.54 0.33 114.58 117.92 1q53 h GLU 79 Ca 0.09 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1q53 h GLU 79 Cb 0.80 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1q53 h GLU 79 CO 0.07 0.11 0.11 1.88 -1.40 0.00 0.00 179.01 179.78 1q53 h TYR 80 N -0.23 0.27 0.00 4.33 0.05 -0.83 -1.40 116.97 119.16 1q53 h TYR 80 Ca -0.01 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1q53 h TYR 80 Cb 0.21 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 1q53 h TYR 80 CO -0.02 0.24 -0.07 0.82 -1.05 0.00 0.00 178.16 178.08 1q53 h ILE 81 N 0.22 0.29 -0.95 -2.88 2.04 -0.92 -1.11 117.51 114.20 1q53 h ILE 81 Ca 0.07 -0.47 -0.50 0.00 1.00 0.00 0.00 64.86 64.95 1q53 h ILE 81 Cb 0.06 1.36 -0.29 0.00 -0.74 0.00 0.00 36.82 37.20 1q53 h ILE 81 CO -0.01 0.07 0.64 0.00 0.00 0.00 0.00 178.15 178.85 1q53 n ALA 82 N -2.18 5.50 -2.72 1.87 0.00 0.12 -4.81 120.51 118.28 1q53 n ALA 82 Ca -0.01 -2.79 -0.34 0.00 0.00 0.00 0.00 53.44 50.30 1q53 n ALA 82 Cb 0.24 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.16 3.19 0.07 0.00 5.04 -0.42 -4.93 115.29 115.07 1q53 s HIS 83 Ca 0.55 0.18 -0.15 0.00 -1.54 0.00 0.00 55.06 54.10 1q53 s HIS 83 Cb 0.46 -1.75 -0.21 0.00 0.04 0.00 0.00 32.58 31.12 1q53 s HIS 83 CO 0.10 0.50 1.21 -1.00 -2.34 0.00 0.00 174.74 173.21 1q53 h PRO 84 N 4.61 0.67 -0.63 2.88 0.13 -1.91 0.67 132.00 138.42 1q53 h PRO 84 Ca -0.50 -0.66 0.06 0.00 -0.87 0.00 0.00 66.00 64.04 1q53 h PRO 84 Cb 1.19 0.17 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 1q53 h PRO 84 CO 0.58 1.25 0.33 0.00 -0.23 0.00 0.00 178.00 179.93 1q53 h ALA 85 N 0.44 0.84 -0.09 -0.56 0.00 -1.94 1.45 119.26 119.39 1q53 h ALA 85 Ca -0.09 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 1q53 h ALA 85 Cb 1.52 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1q53 h ALA 85 CO 0.17 -0.02 -0.72 1.25 0.00 0.00 0.00 179.25 179.93 1q53 h HIS 86 N 0.60 0.90 -0.05 0.00 -0.00 -1.85 -1.56 115.15 113.18 1q53 h HIS 86 Ca 0.29 -0.42 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 1q53 h HIS 86 Cb 0.21 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.49 1q53 h HIS 86 CO -0.10 1.24 0.03 0.28 -0.00 0.00 0.00 177.93 179.39 1q53 h VAL 87 N 0.30 1.01 -0.31 5.26 2.07 -0.12 0.46 116.25 124.92 1q53 h VAL 87 Ca -0.06 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1q53 h VAL 87 Cb 1.37 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1q53 h VAL 87 CO 0.15 0.01 0.20 -0.08 0.02 0.00 0.00 177.57 177.87 1q53 h GLU 88 N 0.07 0.39 -0.55 1.57 4.57 0.19 0.78 114.58 121.60 1q53 h GLU 88 Ca 0.02 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1q53 h GLU 88 Cb -0.01 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1q53 h GLU 88 CO -0.00 0.26 0.34 0.35 -1.18 0.00 0.00 179.01 178.77 1q53 h PHE 89 N 0.40 0.73 -0.12 0.92 3.57 -0.96 0.49 116.94 121.97 1q53 h PHE 89 Ca 0.12 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1q53 h PHE 89 Cb -0.03 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1q53 h PHE 89 CO -0.06 0.50 -0.44 0.00 -2.23 0.00 0.00 178.31 176.07 1q53 h ALA 90 N 1.17 1.02 -0.29 2.41 0.00 0.29 -1.26 119.26 122.60 1q53 h ALA 90 Ca 0.20 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1q53 h ALA 90 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1q53 h ALA 90 CO -0.04 0.62 -0.34 1.15 0.00 0.00 0.00 179.25 180.65 1q53 h THR 91 N 0.24 1.30 -0.59 0.00 2.02 0.13 0.21 112.91 116.22 1q53 h THR 91 Ca 0.02 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.62 1q53 h THR 91 Cb 0.88 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1q53 h THR 91 CO 0.07 0.49 0.15 0.40 0.37 0.00 0.00 175.52 176.99 1q53 h ILE 92 N 0.49 1.25 -0.10 3.11 2.04 0.11 -2.49 117.51 121.92 1q53 h ILE 92 Ca 0.04 -0.90 -0.14 0.00 1.00 0.00 0.00 64.86 64.87 1q53 h ILE 92 Cb 0.92 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1q53 h ILE 92 CO 0.08 0.33 -0.55 0.15 0.00 0.00 0.00 178.15 178.16 1q53 h PHE 93 N 0.85 0.36 0.00 1.37 3.57 -1.16 -2.66 116.94 119.27 1q53 h PHE 93 Ca 0.18 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1q53 h PHE 93 Cb 0.35 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1q53 h PHE 93 CO 0.02 0.77 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.74 1q53 h LEU 94 N 0.22 0.00 -0.66 0.59 3.38 -0.19 -1.42 115.31 117.23 1q53 h LEU 94 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1q53 h LEU 94 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1q53 h LEU 94 CO 0.09 0.07 0.44 1.23 0.09 0.00 0.00 178.44 180.35 1q53 h GLY 95 N 0.32 0.93 -4.89 0.83 0.00 -1.08 -3.15 103.07 96.03 1q53 h GLY 95 Ca -0.00 -0.34 -0.56 0.00 0.00 0.00 0.00 47.33 46.43 1q53 h GLY 95 CO 0.01 0.33 -0.79 -1.14 0.00 0.00 0.00 176.54 174.95 1q53 n SER 96 N -4.63 4.03 -4.46 0.19 3.41 -0.72 -5.05 113.62 106.39 1q53 n SER 96 Ca 0.06 -3.55 -0.29 0.00 -0.26 0.00 0.00 58.87 54.82 1q53 n SER 96 Cb 0.02 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.35 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 -3.40 2.59 -0.17 1.04 0.20 -0.62 -4.19 118.68 114.13 1q53 s LEU 97 Ca 0.45 -0.59 -0.14 0.00 0.69 0.00 0.00 54.13 54.54 1q53 s LEU 97 Cb 0.37 -1.46 -0.06 0.00 -0.43 0.00 0.00 46.19 44.61 1q53 s LEU 97 CO -0.14 0.19 -0.24 -0.67 -0.29 0.00 0.00 176.35 175.20 1q53 n ASP 98 N 0.93 1.88 -3.78 3.68 2.03 0.28 -4.60 116.55 116.96 1q53 n ASP 98 Ca -0.16 0.47 -0.12 0.00 0.52 0.00 0.00 54.79 55.50 1q53 n ASP 98 Cb 0.53 -0.82 -0.08 0.00 -0.72 0.00 0.00 41.12 40.03 1q53 n ASP 98 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1q53 s LYS 99 N -2.56 0.71 -0.18 -0.67 1.02 -1.14 -4.94 119.74 111.98 1q53 s LYS 99 Ca -0.24 -0.38 -0.10 0.00 0.02 0.00 0.00 55.97 55.28 1q53 s LYS 99 Cb 0.04 0.31 0.06 0.00 -0.52 0.00 0.00 37.83 37.72 1q53 s LYS 99 CO 0.35 -0.21 0.44 0.54 -0.92 0.00 0.00 175.35 175.56 1q53 s VAL 100 N -1.94 -0.02 -0.06 3.17 0.11 -1.26 0.80 120.40 121.19 1q53 s VAL 100 Ca -0.09 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 1q53 s VAL 100 Cb -0.03 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1q53 s VAL 100 CO 0.00 0.03 -0.08 -0.76 -3.33 0.00 0.00 175.10 170.97 1q53 s LEU 101 N 1.43 1.42 -0.29 2.54 2.01 -0.10 -5.00 118.68 120.70 1q53 s LEU 101 Ca -0.10 -0.23 -0.12 0.00 0.01 0.00 0.00 54.13 53.69 1q53 s LEU 101 Cb -0.08 -0.67 -0.04 0.00 0.01 0.00 0.00 46.19 45.41 1q53 s LEU 101 CO -0.14 -0.03 0.25 0.68 1.01 0.00 0.00 176.35 178.12 1q53 s VAL 102 N 0.96 5.27 0.07 -1.59 -7.23 -1.26 -1.54 120.40 115.08 1q53 s VAL 102 Ca -0.10 0.19 0.05 0.00 -1.81 0.00 0.00 61.98 60.31 1q53 s VAL 102 Cb -0.15 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 1q53 s VAL 102 CO 0.00 0.17 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.20 1q53 s ILE 103 N 1.84 1.03 -0.01 -0.62 -1.09 0.19 -4.99 121.20 117.55 1q53 s ILE 103 Ca 0.09 -1.34 0.05 0.00 -2.23 0.00 0.00 60.65 57.22 1q53 s ILE 103 Cb -0.16 -1.07 -0.03 0.00 -1.58 0.00 0.00 42.46 39.62 1q53 s ILE 103 CO 0.11 -0.30 -0.16 -1.81 -1.23 0.00 0.00 174.94 171.55 1q53 s ASP 104 N -1.85 3.92 -0.02 3.58 1.01 -1.26 0.16 116.67 122.22 1q53 s ASP 104 Ca -0.01 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 52.97 1q53 s ASP 104 Cb -0.09 -0.75 0.02 0.00 1.01 0.00 0.00 42.92 43.11 1q53 s ASP 104 CO 0.02 0.31 -0.02 -0.47 0.21 0.00 0.00 175.17 175.22 1q53 s TYR 105 N -0.80 0.35 0.03 4.23 6.14 0.17 -4.78 117.35 122.68 1q53 s TYR 105 Ca 0.13 -0.04 0.07 0.00 0.64 0.00 0.00 57.07 57.87 1q53 s TYR 105 Cb -0.11 -0.35 -0.02 0.00 0.42 0.00 0.00 41.96 41.90 1q53 s TYR 105 CO 0.02 -0.09 -0.21 0.21 0.64 0.00 0.00 175.55 176.13 1q53 s LYS 106 N 0.61 1.50 -1.00 4.97 2.36 -1.26 -2.02 119.74 124.90 1q53 s LYS 106 Ca -0.06 -0.89 -0.23 0.00 -2.55 0.00 0.00 55.97 52.23 1q53 s LYS 106 Cb -0.09 -1.57 0.00 0.00 -1.05 0.00 0.00 37.83 35.12 1q53 s LYS 106 CO -0.01 0.41 1.71 -1.25 1.55 0.00 0.00 175.35 177.76 1q53 s PRO 107 N -0.98 3.11 -0.62 4.03 0.04 -1.26 -4.85 135.00 134.47 1q53 s PRO 107 Ca 0.08 -0.83 0.05 0.00 0.04 0.00 0.00 61.00 60.34 1q53 s PRO 107 Cb -0.09 -5.24 0.18 0.00 0.04 0.00 0.00 34.50 29.40 1q53 s PRO 107 CO 0.01 -2.82 0.49 2.41 0.04 0.00 0.00 177.00 177.13 1q53 n THR 108 N 7.33 0.94 -2.12 1.26 -1.04 -1.26 -5.10 114.28 114.29 1q53 n THR 108 Ca 0.38 -4.52 -0.30 0.00 -2.04 0.00 0.00 64.05 57.56 1q53 n THR 108 Cb 0.49 -2.04 0.01 0.00 -1.82 0.00 0.00 70.33 66.96 1q53 n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1q53 s SER 109 N -1.20 6.25 -0.03 8.00 1.04 -1.26 -5.05 113.70 121.45 1q53 s SER 109 Ca 0.29 1.27 -0.15 0.00 0.48 0.00 0.00 55.95 57.84 1q53 s SER 109 Cb 0.01 -2.40 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 1q53 s SER 109 CO -0.16 -0.77 0.42 -0.69 0.98 0.00 0.00 173.24 173.01 1q53 s VAL 110 N -3.03 5.07 0.14 5.02 1.01 -1.26 -5.04 120.40 122.31 1q53 s VAL 110 Ca 0.53 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 1q53 s VAL 110 Cb -0.11 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 1q53 s VAL 110 CO 0.51 0.52 1.26 -0.94 0.00 0.00 0.00 175.10 176.44 1q53 s SER 111 N -0.66 6.99 0.00 3.32 1.04 -1.26 -5.35 113.70 117.79 1q53 s SER 111 Ca 0.24 2.23 0.29 0.00 0.48 0.00 0.00 55.95 59.19 1q53 s SER 111 Cb -0.16 -2.60 1.32 0.00 0.10 0.00 0.00 66.02 64.69 1q53 s SER 111 CO 0.12 -0.48 1.90 0.18 0.98 0.00 0.00 173.24 175.94