#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 5.75 -0.34 1.61 0.01 -1.26 -4.99 113.70 114.49 1q53 s SER 2 Ca 0.00 -0.30 -0.05 0.00 1.31 0.00 0.00 55.95 56.91 1q53 s SER 2 Cb 0.00 -2.06 0.19 0.00 0.21 0.00 0.00 66.02 64.36 1q53 s SER 2 CO 0.00 -0.14 0.93 -1.38 0.41 0.00 0.00 173.24 173.06 1q53 s HIS 3 N 1.68 -0.78 0.43 2.43 0.00 -1.26 -5.15 115.29 112.65 1q53 s HIS 3 Ca 0.06 0.20 -0.24 0.00 -3.00 0.00 0.00 55.06 52.08 1q53 s HIS 3 Cb -0.17 0.14 -0.10 0.00 -4.00 0.00 0.00 32.58 28.45 1q53 s HIS 3 CO 0.08 -0.51 0.96 -1.33 -1.00 0.00 0.00 174.74 172.95 1q53 n MET 4 N 4.20 1.25 -3.50 -0.38 0.00 -1.26 -4.94 117.12 112.49 1q53 n MET 4 Ca 0.07 0.45 -0.39 0.00 0.00 0.00 0.00 57.70 57.84 1q53 n MET 4 Cb 0.60 -1.99 -0.10 0.00 0.00 0.00 0.00 33.22 31.73 1q53 n MET 4 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1q53 s GLU 5 N -2.01 3.92 -0.33 0.03 2.12 -1.26 -5.05 118.70 116.12 1q53 s GLU 5 Ca 0.64 -0.21 -0.14 0.00 0.36 0.00 0.00 54.97 55.62 1q53 s GLU 5 Cb -0.56 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.13 1q53 s GLU 5 CO 0.56 -0.26 0.29 -1.21 -0.54 0.00 0.00 175.26 174.10 1q53 s GLU 6 N 1.89 3.61 0.33 4.30 2.02 -1.26 -5.04 118.70 124.55 1q53 s GLU 6 Ca 0.10 -0.48 -0.25 0.00 0.02 0.00 0.00 54.97 54.37 1q53 s GLU 6 Cb -0.16 -3.78 -0.14 0.00 0.10 0.00 0.00 34.13 30.15 1q53 s GLU 6 CO 0.11 -0.43 0.59 0.00 0.02 0.00 0.00 175.26 175.54 1q53 n ALA 7 N 5.21 -1.79 0.01 5.21 0.00 -1.26 -4.91 120.51 122.99 1q53 n ALA 7 Ca -0.11 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1q53 n ALA 7 Cb 0.50 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1q53 n ALA 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1q53 n LYS 8 N 0.82 0.00 0.00 0.00 0.00 -1.26 -5.02 118.16 112.70 1q53 n LYS 8 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1q53 n LYS 8 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.34 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q53 n GLY 9 N 2.52 0.87 0.13 3.14 0.00 -1.26 -4.97 105.19 105.62 1q53 n GLY 9 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.36 -5.76 1.61 0.13 -1.96 -3.48 132.00 122.91 1q53 h PRO 10 Ca 0.00 -0.35 -0.55 0.00 -0.87 0.00 0.00 66.00 64.23 1q53 h PRO 10 Cb 0.00 0.09 -0.28 0.00 0.13 0.00 0.00 31.00 30.94 1q53 h PRO 10 CO 0.00 1.02 -0.83 0.54 -0.23 0.00 0.00 178.00 178.49 1q53 s VAL 11 N -3.34 1.44 -0.08 1.56 0.11 -1.26 -4.50 120.40 114.32 1q53 s VAL 11 Ca -0.14 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1q53 s VAL 11 Cb 0.03 -1.22 0.01 0.00 -1.53 0.00 0.00 36.38 33.68 1q53 s VAL 11 CO 0.79 0.32 -0.12 -0.54 -3.33 0.00 0.00 175.10 172.22 1q53 s LYS 12 N -0.66 1.77 -0.17 1.54 1.02 -1.09 -3.95 119.74 118.20 1q53 s LYS 12 Ca 0.07 -0.42 -0.09 0.00 0.02 0.00 0.00 55.97 55.55 1q53 s LYS 12 Cb -0.07 -1.51 -0.05 0.00 -0.52 0.00 0.00 37.83 35.68 1q53 s LYS 12 CO 0.00 -0.03 0.14 -1.58 -0.92 0.00 0.00 175.35 172.96 1q53 s HIS 13 N 0.86 3.48 -0.21 3.18 5.65 -1.23 -1.65 115.29 125.37 1q53 s HIS 13 Ca -0.11 0.41 -0.12 0.00 0.25 0.00 0.00 55.06 55.50 1q53 s HIS 13 Cb -0.15 -2.09 -0.05 0.00 -1.18 0.00 0.00 32.58 29.11 1q53 s HIS 13 CO 0.01 0.45 0.20 0.08 -0.65 0.00 0.00 174.74 174.83 1q53 s VAL 14 N -0.14 5.35 0.02 0.89 1.01 -0.15 -3.24 120.40 124.13 1q53 s VAL 14 Ca 0.11 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1q53 s VAL 14 Cb -0.11 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1q53 s VAL 14 CO 0.00 0.38 -0.08 -0.22 0.00 0.00 0.00 175.10 175.18 1q53 s LEU 15 N 0.72 2.12 0.05 3.92 2.96 -0.80 -1.53 118.68 126.12 1q53 s LEU 15 Ca 0.11 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1q53 s LEU 15 Cb -0.13 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 1q53 s LEU 15 CO 0.02 -0.03 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.60 1q53 s LEU 16 N -0.80 2.18 -0.18 -0.68 1.98 -0.88 -0.23 118.68 120.06 1q53 s LEU 16 Ca -0.02 -0.54 -0.18 0.00 -2.89 0.00 0.00 54.13 50.49 1q53 s LEU 16 Cb -0.06 -1.00 0.05 0.00 0.66 0.00 0.00 46.19 45.85 1q53 s LEU 16 CO 0.00 0.16 0.52 0.00 -1.89 0.00 0.00 176.35 175.14 1q53 s ALA 17 N -0.83 -1.28 0.01 5.97 0.00 -1.21 -2.46 121.76 121.96 1q53 s ALA 17 Ca 0.08 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.50 1q53 s ALA 17 Cb -0.09 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1q53 s ALA 17 CO 0.02 -0.25 -0.15 -1.12 0.00 0.00 0.00 175.76 174.26 1q53 s SER 18 N 0.18 1.79 -0.35 0.00 0.01 -1.02 -4.10 113.70 110.20 1q53 s SER 18 Ca -0.01 -0.34 -0.20 0.00 1.31 0.00 0.00 55.95 56.71 1q53 s SER 18 Cb -0.04 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1q53 s SER 18 CO 0.01 0.14 0.61 -0.36 0.41 0.00 0.00 173.24 174.05 1q53 s PHE 19 N -0.52 3.16 1.01 2.43 0.08 -1.26 0.07 117.98 122.94 1q53 s PHE 19 Ca 0.05 0.32 -0.18 0.00 0.12 0.00 0.00 56.93 57.24 1q53 s PHE 19 Cb -0.07 -3.09 -0.06 0.00 -0.57 0.00 0.00 43.02 39.23 1q53 s PHE 19 CO 0.00 -0.61 -0.45 1.63 -0.10 0.00 0.00 175.22 175.70 1q53 n LYS 20 N 5.98 -0.35 -2.99 0.44 5.02 -1.26 -4.84 118.16 120.16 1q53 n LYS 20 Ca -0.02 -0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.76 1q53 n LYS 20 Cb 0.49 -1.37 -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 -1.44 6.55 0.00 4.39 2.15 -1.26 -3.62 116.67 123.43 1q53 s ASP 21 Ca 0.47 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.83 1q53 s ASP 21 Cb -0.13 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1q53 s ASP 21 CO 0.73 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 1q53 n GLY 22 N 4.48 1.62 3.76 2.66 0.00 -1.26 -5.11 105.19 111.34 1q53 n GLY 22 Ca 0.02 0.00 -0.38 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 5.02 0.48 1.61 1.01 -1.24 -5.03 120.40 120.25 1q53 s VAL 23 Ca 0.00 1.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.83 1q53 s VAL 23 Cb 0.00 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 1q53 s VAL 23 CO 0.00 0.42 1.18 -1.20 0.00 0.00 0.00 175.10 175.50 1q53 n SER 24 N 2.87 1.99 0.03 3.32 7.64 -1.26 -4.92 113.62 123.28 1q53 n SER 24 Ca -0.08 1.01 -0.17 0.00 1.01 0.00 0.00 58.87 60.64 1q53 n SER 24 Cb 0.51 -1.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.18 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 1.53 0.64 -1.00 1.43 0.13 -2.00 -3.01 132.00 129.73 1q53 h PRO 25 Ca -0.48 -0.62 0.02 0.00 -0.87 0.00 0.00 66.00 64.05 1q53 h PRO 25 Cb 1.32 0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.56 1q53 h PRO 25 CO 0.57 1.23 0.66 0.93 -0.23 0.00 0.00 178.00 181.15 1q53 h GLU 26 N 0.39 1.27 -0.80 0.86 5.08 -1.99 -0.03 114.58 119.36 1q53 h GLU 26 Ca -0.09 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1q53 h GLU 26 Cb 1.55 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1q53 h GLU 26 CO 0.18 0.84 0.33 -0.22 -1.00 0.00 0.00 179.01 179.13 1q53 h LYS 27 N 1.30 1.20 -0.32 2.33 3.11 -1.94 0.86 116.57 123.12 1q53 h LYS 27 Ca 0.38 -0.22 -0.02 0.00 -2.81 0.00 0.00 60.65 57.99 1q53 h LYS 27 Cb -0.07 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 30.94 1q53 h LYS 27 CO -0.10 0.97 0.14 0.82 -2.81 0.00 0.00 179.45 178.46 1q53 h ILE 28 N 1.17 1.17 -0.30 2.00 2.04 -1.12 0.70 117.51 123.18 1q53 h ILE 28 Ca 0.27 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 1q53 h ILE 28 Cb 0.21 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1q53 h ILE 28 CO -0.02 0.18 -0.12 -0.08 0.00 0.00 0.00 178.15 178.11 1q53 h GLU 29 N 0.37 0.61 -0.51 2.37 4.22 -0.62 -1.19 114.58 119.83 1q53 h GLU 29 Ca 0.11 -0.26 0.04 0.00 0.08 0.00 0.00 59.36 59.33 1q53 h GLU 29 Cb 0.16 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1q53 h GLU 29 CO -0.01 0.83 0.34 0.93 -2.18 0.00 0.00 179.01 178.92 1q53 h GLU 30 N 0.36 0.53 -0.03 1.92 5.08 0.93 0.42 114.58 123.81 1q53 h GLU 30 Ca 0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1q53 h GLU 30 Cb 0.63 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1q53 h GLU 30 CO 0.04 0.35 -0.06 1.25 -1.00 0.00 0.00 179.01 179.60 1q53 h LEU 31 N 0.55 0.09 0.19 1.33 6.46 -0.61 0.00 115.31 123.33 1q53 h LEU 31 Ca 0.21 -0.58 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1q53 h LEU 31 Cb 0.14 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1q53 h LEU 31 CO -0.05 0.66 -0.17 0.40 -0.62 0.00 0.00 178.44 178.66 1q53 h ILE 32 N -0.47 0.63 -0.55 4.05 2.04 -0.53 1.44 117.51 124.12 1q53 h ILE 32 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1q53 h ILE 32 Cb 0.65 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1q53 h ILE 32 CO 0.01 0.00 0.37 0.07 0.00 0.00 0.00 178.15 178.60 1q53 h LYS 33 N -0.38 0.56 0.12 2.37 2.10 -0.24 -2.46 116.57 118.65 1q53 h LYS 33 Ca -0.01 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1q53 h LYS 33 Cb 0.35 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1q53 h LYS 33 CO -0.02 0.37 -0.06 0.78 -2.00 0.00 0.00 179.45 178.52 1q53 h GLY 34 N 0.58 -0.17 -0.82 0.07 0.00 0.13 -2.38 103.07 100.48 1q53 h GLY 34 Ca 0.23 0.06 0.23 0.00 0.00 0.00 0.00 47.33 47.85 1q53 h GLY 34 CO -0.06 -0.06 -0.04 -0.97 0.00 0.00 0.00 176.54 175.40 1q53 h TYR 35 N -0.79 -0.16 -0.43 5.60 0.05 0.23 1.63 116.97 123.10 1q53 h TYR 35 Ca -0.02 0.07 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 1q53 h TYR 35 Cb 0.55 0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 1q53 h TYR 35 CO 0.10 -0.38 -0.11 0.00 -1.05 0.00 0.00 178.16 176.71 1q53 h ALA 36 N 1.92 0.59 -0.15 3.88 0.00 -1.51 -2.30 119.26 121.69 1q53 h ALA 36 Ca 0.52 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1q53 h ALA 36 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1q53 h ALA 36 CO -0.88 0.48 -0.07 -0.91 0.00 0.00 0.00 179.25 177.87 1q53 h ASN 37 N 0.66 0.21 0.28 0.00 4.21 0.14 -0.69 115.58 120.39 1q53 h ASN 37 Ca 0.11 -0.03 -0.09 0.00 1.21 0.00 0.00 56.30 57.50 1q53 h ASN 37 Cb 0.65 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 1q53 h ASN 37 CO 0.04 0.32 -0.37 0.25 -1.29 0.00 0.00 177.43 176.38 1q53 h LEU 38 N 0.22 0.13 -1.19 1.61 5.85 0.24 -1.87 115.31 120.31 1q53 h LEU 38 Ca 0.05 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1q53 h LEU 38 Cb 0.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1q53 h LEU 38 CO 0.01 0.50 -0.37 0.58 -0.34 0.00 0.00 178.44 178.82 1q53 h VAL 39 N 0.11 1.06 0.00 1.05 2.07 -0.59 1.36 116.25 121.31 1q53 h VAL 39 Ca 0.01 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 1q53 h VAL 39 Cb 0.71 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1q53 h VAL 39 CO 0.05 0.36 -0.28 -1.13 0.02 0.00 0.00 177.57 176.60 1q53 h ASN 40 N 0.00 0.00 0.00 0.57 -0.73 -0.99 -3.33 115.58 111.10 1q53 h ASN 40 Ca -0.00 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.00 1q53 h ASN 40 Cb 0.74 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 1q53 h ASN 40 CO 0.05 0.28 -1.31 0.18 -0.37 0.00 0.00 177.43 176.25 1q53 n LEU 41 N -3.29 1.89 -4.54 0.34 4.77 -0.71 -4.78 117.00 110.69 1q53 n LEU 41 Ca 0.01 0.43 -0.19 0.00 -0.03 0.00 0.00 56.01 56.23 1q53 n LEU 41 Cb 0.54 -0.84 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 1q53 n LEU 41 CO 0.35 -0.00 1.56 -0.38 -1.33 0.00 0.00 177.39 177.59 1q53 n ILE 42 N -4.44 -0.01 -0.37 -0.08 2.08 0.46 -4.75 119.36 112.25 1q53 n ILE 42 Ca -0.26 -0.51 -0.01 0.00 0.56 0.00 0.00 62.75 62.53 1q53 n ILE 42 Cb 0.58 -1.51 0.04 0.00 -0.75 0.00 0.00 39.64 38.00 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1q53 n GLU 43 N 7.98 -0.22 -2.31 0.38 1.02 -1.26 -3.17 120.64 123.06 1q53 n GLU 43 Ca 0.52 1.48 -0.34 0.00 -0.02 0.00 0.00 57.16 58.80 1q53 n GLU 43 Cb 0.35 -2.20 -0.04 0.00 -0.02 0.00 0.00 31.44 29.54 1q53 n GLU 43 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1q53 s PRO 44 N -5.92 3.10 -0.30 3.49 0.04 -1.26 -4.74 135.00 129.40 1q53 s PRO 44 Ca -0.13 -0.79 -0.12 0.00 0.04 0.00 0.00 61.00 60.00 1q53 s PRO 44 Cb 0.20 -5.23 0.18 0.00 0.04 0.00 0.00 34.50 29.69 1q53 s PRO 44 CO 0.69 -2.81 1.09 1.41 0.04 0.00 0.00 177.00 177.41 1q53 s MET 45 N 5.92 0.11 0.03 4.56 1.75 -1.19 -4.89 119.30 125.59 1q53 s MET 45 Ca 0.58 0.06 -0.14 0.00 -1.25 0.00 0.00 55.69 54.94 1q53 s MET 45 Cb -0.03 0.04 -0.07 0.00 2.84 0.00 0.00 34.83 37.61 1q53 s MET 45 CO -0.04 -0.19 1.21 -0.22 -0.65 0.00 0.00 175.02 175.13 1q53 h LYS 46 N 6.70 -0.37 -2.59 4.11 1.63 -1.85 -3.47 116.57 120.72 1q53 h LYS 46 Ca -0.09 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.69 1q53 h LYS 46 Cb 1.19 0.08 -0.16 0.00 -0.60 0.00 0.00 32.23 32.75 1q53 h LYS 46 CO -0.11 -0.24 0.13 0.00 -3.45 0.00 0.00 179.45 175.78 1q53 s ALA 47 N -4.25 -1.54 -0.25 5.00 0.00 -1.26 -5.10 121.76 114.37 1q53 s ALA 47 Ca -0.07 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 1q53 s ALA 47 Cb 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1q53 s ALA 47 CO 0.23 -0.54 0.04 0.12 0.00 0.00 0.00 175.76 175.61 1q53 s PHE 48 N -2.42 3.06 0.07 0.00 5.36 -1.26 -3.76 117.98 119.03 1q53 s PHE 48 Ca -0.05 -0.63 0.07 0.00 -0.96 0.00 0.00 56.93 55.35 1q53 s PHE 48 Cb -0.01 -2.21 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 1q53 s PHE 48 CO -0.01 -0.44 -0.14 -1.01 -1.46 0.00 0.00 175.22 172.16 1q53 s HIS 49 N 1.57 2.66 0.01 10.12 3.76 -1.21 -5.10 115.29 127.10 1q53 s HIS 49 Ca 0.06 -0.19 -0.08 0.00 -0.15 0.00 0.00 55.06 54.69 1q53 s HIS 49 Cb -0.15 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.09 1q53 s HIS 49 CO 0.02 0.36 0.15 1.67 -0.85 0.00 0.00 174.74 176.09 1q53 s TRP 50 N -1.08 0.04 -0.21 1.40 1.48 -1.26 -2.82 118.94 116.49 1q53 s TRP 50 Ca 0.18 -0.15 -0.09 0.00 -1.06 0.00 0.00 56.10 54.98 1q53 s TRP 50 Cb -0.11 -0.04 0.08 0.00 -1.16 0.00 0.00 33.47 32.24 1q53 s TRP 50 CO 0.09 -0.32 0.48 0.20 -4.06 0.00 0.00 176.95 173.34 1q53 s GLY 51 N -1.52 -0.42 0.18 3.67 0.00 -1.10 -5.02 107.32 103.10 1q53 s GLY 51 Ca -0.13 1.73 0.09 0.00 0.00 0.00 0.00 44.72 46.41 1q53 s GLY 51 CO 0.01 2.21 -0.09 -1.59 0.00 0.00 0.00 173.10 173.63 1q53 s LYS 52 N 2.06 2.08 -0.48 2.90 -2.85 -1.26 -2.27 119.74 119.91 1q53 s LYS 52 Ca -0.06 -1.25 -0.43 0.00 -1.00 0.00 0.00 55.97 53.22 1q53 s LYS 52 Cb -0.10 -2.17 -0.19 0.00 -2.06 0.00 0.00 37.83 33.32 1q53 s LYS 52 CO -0.14 0.44 1.92 -0.40 0.10 0.00 0.00 175.35 177.26 1q53 n ASP 53 N 0.05 0.85 -4.59 0.03 5.75 -1.25 -4.85 116.55 112.53 1q53 n ASP 53 Ca -0.11 0.79 -0.40 0.00 -0.01 0.00 0.00 54.79 55.07 1q53 n ASP 53 Cb 0.55 -0.86 -0.09 0.00 -1.03 0.00 0.00 41.12 39.69 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 4.99 5.14 -0.76 2.12 1.01 -1.26 -4.53 120.40 127.11 1q53 s VAL 54 Ca 1.12 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.60 1q53 s VAL 54 Cb -1.45 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 31.18 1q53 s VAL 54 CO 0.68 0.08 0.57 -1.20 0.00 0.00 0.00 175.10 175.23 1q53 n SER 55 N 5.41 -4.57 -0.15 3.32 7.64 -1.26 -4.85 113.62 119.16 1q53 n SER 55 Ca -0.07 -0.89 0.09 0.00 1.01 0.00 0.00 58.87 59.01 1q53 n SER 55 Cb 0.50 -1.51 -0.07 0.00 -1.01 0.00 0.00 64.21 62.13 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 -2.38 0.00 0.00 0.44 0.00 -1.26 -4.98 119.36 111.18 1q53 n ILE 56 Ca -0.30 -0.14 0.00 0.00 0.00 0.00 0.00 62.75 62.31 1q53 n ILE 56 Cb 0.66 1.08 0.00 0.00 0.00 0.00 0.00 39.64 41.38 1q53 n ILE 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1q53 n GLU 57 N -0.96 0.00 0.00 9.51 4.07 -1.26 -3.72 120.64 128.28 1q53 n GLU 57 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1q53 n GLU 57 Cb 0.33 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 1q53 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1q53 n ASN 58 N 1.65 0.00 -2.73 4.31 2.85 -1.26 -5.11 115.26 114.97 1q53 n ASN 58 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 1q53 n ASN 58 Cb 0.00 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.04 1q53 n ASN 58 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1q53 s LEU 59 N 0.00 -0.94 -0.04 1.20 1.43 -1.24 -5.15 118.68 113.93 1q53 s LEU 59 Ca 0.00 -1.10 -0.22 0.00 -1.03 0.00 0.00 54.13 51.77 1q53 s LEU 59 Cb 0.00 1.23 0.05 0.00 0.03 0.00 0.00 46.19 47.50 1q53 s LEU 59 CO 0.00 -0.04 0.49 -1.38 0.23 0.00 0.00 176.35 175.65 1q53 s HIS 60 N 0.96 -0.42 -1.56 0.29 -3.43 -1.26 -5.02 115.29 104.85 1q53 s HIS 60 Ca 0.27 0.71 0.29 0.00 -0.80 0.00 0.00 55.06 55.53 1q53 s HIS 60 Cb 0.05 0.24 1.30 0.00 -1.43 0.00 0.00 32.58 32.75 1q53 s HIS 60 CO -0.08 -0.49 1.91 1.04 -2.00 0.00 0.00 174.74 175.13 1q53 n GLN 61 N 1.18 0.58 0.00 -0.38 3.00 -1.26 -4.84 117.38 115.66 1q53 n GLN 61 Ca -0.20 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 1q53 n GLN 61 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.31 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 1.29 1.63 0.15 1.08 0.00 -1.26 -5.02 105.19 103.06 1q53 n GLY 62 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.99 -1.92 -3.45 116.97 111.22 1q53 h TYR 63 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1q53 h TYR 63 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1q53 h TYR 63 CO 0.00 0.54 0.00 2.41 -0.00 0.00 0.00 178.16 181.11 1q53 n THR 64 N -3.50 0.00 0.00 -2.88 -1.04 -1.26 -4.23 114.28 101.37 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 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 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 -4.49 -1.42 1.44 -1.26 -3.95 115.22 105.54 1q53 n HIS 65 Ca 0.00 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.47 1q53 n HIS 65 Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 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 1.55 -0.10 0.61 -5.25 -0.96 -3.34 121.20 111.71 1q53 s ILE 66 Ca 0.00 -1.24 0.03 0.00 -0.99 0.00 0.00 60.65 58.45 1q53 s ILE 66 Cb 0.00 -1.38 -0.01 0.00 2.95 0.00 0.00 42.46 44.02 1q53 s ILE 66 CO 0.00 0.10 -0.21 -0.36 -1.79 0.00 0.00 174.94 172.67 1q53 s PHE 67 N -0.90 2.60 -0.08 1.37 0.08 0.68 -2.69 117.98 119.03 1q53 s PHE 67 Ca 0.06 -0.85 0.01 0.00 0.12 0.00 0.00 56.93 56.27 1q53 s PHE 67 Cb -0.09 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1q53 s PHE 67 CO 0.02 -0.30 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.75 1q53 s GLU 68 N 0.20 2.84 0.10 0.44 -6.30 -1.13 -1.90 118.70 112.96 1q53 s GLU 68 Ca -0.13 -0.60 0.05 0.00 -2.50 0.00 0.00 54.97 51.80 1q53 s GLU 68 Cb -0.16 -2.57 -0.04 0.00 0.00 0.00 0.00 34.13 31.35 1q53 s GLU 68 CO 0.07 0.57 -0.01 0.45 0.02 0.00 0.00 175.26 176.35 1q53 s SER 69 N -0.56 4.91 -0.17 -1.70 0.15 -1.20 -3.28 113.70 111.85 1q53 s SER 69 Ca 0.08 -0.23 -0.07 0.00 0.70 0.00 0.00 55.95 56.43 1q53 s SER 69 Cb -0.12 -1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 63.03 1q53 s SER 69 CO 0.02 0.16 0.06 -0.89 1.20 0.00 0.00 173.24 173.80 1q53 s THR 70 N -1.34 4.82 0.39 6.45 2.01 -1.25 -3.56 115.64 123.16 1q53 s THR 70 Ca 0.25 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.26 1q53 s THR 70 Cb -0.11 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1q53 s THR 70 CO 0.18 0.49 0.08 -0.36 -0.69 0.00 0.00 174.62 174.31 1q53 s PHE 71 N 0.12 1.91 -0.35 4.92 0.08 -1.25 -4.15 117.98 119.26 1q53 s PHE 71 Ca 0.05 -1.07 0.01 0.00 0.12 0.00 0.00 56.93 56.04 1q53 s PHE 71 Cb -0.12 -1.31 0.29 0.00 -0.57 0.00 0.00 43.02 41.31 1q53 s PHE 71 CO 0.01 -0.06 1.26 -0.85 -0.10 0.00 0.00 175.22 175.48 1q53 n GLU 72 N -0.87 0.23 0.00 0.44 0.28 -1.26 -4.44 120.64 115.02 1q53 n GLU 72 Ca -0.06 -0.84 0.00 0.00 -0.16 0.00 0.00 57.16 56.10 1q53 n GLU 72 Cb 0.66 -0.34 0.00 0.00 1.43 0.00 0.00 31.44 33.19 1q53 n GLU 72 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1q53 n SER 73 N 1.10 0.00 0.00 -1.84 7.64 -1.26 -4.93 113.62 114.33 1q53 n SER 73 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1q53 n SER 73 Cb 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 1q53 n SER 73 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1q53 n LYS 74 N 0.00 0.00 0.19 1.43 3.00 -1.26 -3.97 118.16 117.55 1q53 n LYS 74 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 1q53 n LYS 74 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 35.03 35.40 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 0.00 0.00 -0.31 1.64 5.08 -2.02 -2.49 114.58 116.49 1q53 h GLU 75 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1q53 h GLU 75 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1q53 h GLU 75 CO 0.00 0.36 -0.44 0.00 -1.00 0.00 0.00 179.01 177.92 1q53 h ALA 76 N 1.64 0.64 -1.00 3.43 0.00 -1.92 -2.89 119.26 119.15 1q53 h ALA 76 Ca -0.00 -0.47 0.20 0.00 0.00 0.00 0.00 54.91 54.64 1q53 h ALA 76 Cb 0.63 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 1q53 h ALA 76 CO 0.05 0.67 0.61 0.28 0.00 0.00 0.00 179.25 180.86 1q53 h VAL 77 N 0.63 0.67 -0.57 0.00 2.07 -1.76 0.33 116.25 117.61 1q53 h VAL 77 Ca 0.04 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.39 1q53 h VAL 77 Cb 1.01 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1q53 h VAL 77 CO 0.10 0.13 0.24 0.00 0.02 0.00 0.00 177.57 178.06 1q53 h ALA 78 N 1.66 0.74 -0.79 1.67 0.00 -1.50 0.17 119.26 121.22 1q53 h ALA 78 Ca 0.59 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.60 1q53 h ALA 78 Cb 0.97 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1q53 h ALA 78 CO -0.40 -0.15 0.50 0.93 0.00 0.00 0.00 179.25 180.13 1q53 h GLU 79 N 0.44 0.93 -0.58 0.00 5.08 -0.44 0.30 114.58 120.32 1q53 h GLU 79 Ca 0.28 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1q53 h GLU 79 Cb 0.29 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1q53 h GLU 79 CO -0.25 0.62 0.06 -0.92 -1.00 0.00 0.00 179.01 177.52 1q53 h TYR 80 N 0.96 1.02 0.00 4.33 3.20 -0.42 -1.87 116.97 124.19 1q53 h TYR 80 Ca 0.32 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1q53 h TYR 80 Cb 0.03 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 1q53 h TYR 80 CO -0.03 0.89 -0.11 0.82 -1.64 0.00 0.00 178.16 178.08 1q53 h ILE 81 N 0.90 0.25 -0.89 1.81 2.04 0.15 -2.94 117.51 118.83 1q53 h ILE 81 Ca 0.18 -0.98 -0.59 0.00 1.00 0.00 0.00 64.86 64.46 1q53 h ILE 81 Cb 0.44 1.80 -0.26 0.00 -0.74 0.00 0.00 36.82 38.06 1q53 h ILE 81 CO 0.02 0.11 0.77 0.00 0.00 0.00 0.00 178.15 179.05 1q53 n ALA 82 N -2.15 6.04 -2.72 1.87 0.00 0.96 -4.88 120.51 119.64 1q53 n ALA 82 Ca 0.01 -3.06 -0.34 0.00 0.00 0.00 0.00 53.44 50.06 1q53 n ALA 82 Cb 0.44 -1.68 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 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 -3.37 3.19 0.07 0.00 5.04 -1.11 -4.95 115.29 114.16 1q53 s HIS 83 Ca 0.57 0.18 -0.14 0.00 -1.54 0.00 0.00 55.06 54.13 1q53 s HIS 83 Cb 0.45 -1.75 -0.21 0.00 0.04 0.00 0.00 32.58 31.11 1q53 s HIS 83 CO -0.00 0.50 1.21 -1.00 -2.34 0.00 0.00 174.74 173.11 1q53 h PRO 84 N 4.65 0.69 -0.79 2.88 0.13 -1.91 -1.29 132.00 136.36 1q53 h PRO 84 Ca -0.50 -0.68 0.07 0.00 -0.87 0.00 0.00 66.00 64.03 1q53 h PRO 84 Cb 1.19 0.18 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 1q53 h PRO 84 CO 0.57 1.27 0.46 0.00 -0.23 0.00 0.00 178.00 180.08 1q53 h ALA 85 N 0.44 1.10 -0.10 -0.56 0.00 -1.96 1.48 119.26 119.65 1q53 h ALA 85 Ca -0.10 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1q53 h ALA 85 Cb 1.54 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1q53 h ALA 85 CO 0.18 0.14 -0.71 1.25 0.00 0.00 0.00 179.25 180.11 1q53 h HIS 86 N 0.82 0.60 -0.17 0.00 -0.00 -1.89 -2.73 115.15 111.78 1q53 h HIS 86 Ca 0.36 -0.26 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1q53 h HIS 86 Cb 0.25 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1q53 h HIS 86 CO -0.06 1.02 -0.05 0.28 -0.00 0.00 0.00 177.93 179.12 1q53 h VAL 87 N 0.31 1.29 -0.96 5.26 2.07 0.10 0.25 116.25 124.57 1q53 h VAL 87 Ca -0.03 -1.03 0.13 0.00 0.82 0.00 0.00 66.70 66.59 1q53 h VAL 87 Cb 1.28 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 32.59 1q53 h VAL 87 CO 0.12 0.31 0.61 -0.08 0.02 0.00 0.00 177.57 178.55 1q53 h GLU 88 N 0.03 0.86 -0.00 1.57 4.57 0.20 1.47 114.58 123.29 1q53 h GLU 88 Ca 0.04 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1q53 h GLU 88 Cb 0.49 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1q53 h GLU 88 CO 0.02 0.57 -0.44 0.74 -1.18 0.00 0.00 179.01 178.72 1q53 h PHE 89 N 0.89 0.44 -0.37 0.92 -1.00 -1.27 -2.68 116.94 113.87 1q53 h PHE 89 Ca 0.48 -0.24 -0.05 0.00 2.81 0.00 0.00 57.97 60.96 1q53 h PHE 89 Cb 0.56 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 1q53 h PHE 89 CO -0.00 1.05 0.00 0.00 -1.61 0.00 0.00 178.31 177.75 1q53 h ALA 90 N 0.29 1.33 -0.49 2.45 0.00 0.26 0.44 119.26 123.54 1q53 h ALA 90 Ca -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1q53 h ALA 90 Cb 1.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1q53 h ALA 90 CO 0.09 0.46 0.19 1.15 0.00 0.00 0.00 179.25 181.14 1q53 h THR 91 N 0.55 1.21 -0.00 0.00 2.02 0.20 0.36 112.91 117.24 1q53 h THR 91 Ca 0.12 -0.67 -0.17 0.00 0.77 0.00 0.00 66.41 66.45 1q53 h THR 91 Cb 0.35 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1q53 h THR 91 CO 0.01 0.25 -0.79 0.40 0.37 0.00 0.00 175.52 175.76 1q53 h ILE 92 N 0.65 1.52 -0.40 3.11 2.04 -1.08 -3.07 117.51 120.26 1q53 h ILE 92 Ca 0.16 -2.57 -0.03 0.00 1.00 0.00 0.00 64.86 63.41 1q53 h ILE 92 Cb 0.21 2.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1q53 h ILE 92 CO -0.01 0.74 0.12 0.15 0.00 0.00 0.00 178.15 179.15 1q53 h PHE 93 N 0.05 0.66 0.00 1.37 3.57 0.29 -2.20 116.94 120.68 1q53 h PHE 93 Ca -0.02 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1q53 h PHE 93 Cb 1.39 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1q53 h PHE 93 CO 0.01 0.61 -0.10 1.37 -2.23 0.00 0.00 178.31 177.97 1q53 h LEU 94 N 0.51 0.00 -2.61 0.59 8.10 -0.93 0.11 115.31 121.07 1q53 h LEU 94 Ca 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.12 1q53 h LEU 94 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1q53 h LEU 94 CO -0.00 0.10 -0.01 1.23 -4.11 0.00 0.00 178.44 175.64 1q53 h GLY 95 N 0.30 0.00 -5.43 0.17 0.00 -1.30 -3.08 103.07 93.73 1q53 h GLY 95 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1q53 h GLY 95 CO 0.01 0.00 -1.00 -1.14 0.00 0.00 0.00 176.54 174.41 1q53 n SER 96 N -3.26 0.30 -4.38 0.19 3.41 -0.07 -5.10 113.62 104.71 1q53 n SER 96 Ca -0.02 -2.95 -0.32 0.00 -0.26 0.00 0.00 58.87 55.32 1q53 n SER 96 Cb 0.12 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 63.86 1q53 n SER 96 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1q53 s LEU 97 N -2.72 2.34 -0.15 1.04 -0.00 -0.63 -4.54 118.68 114.02 1q53 s LEU 97 Ca 0.31 -0.36 -0.11 0.00 -0.00 0.00 0.00 54.13 53.97 1q53 s LEU 97 Cb 0.38 -1.43 -0.06 0.00 -0.00 0.00 0.00 46.19 45.08 1q53 s LEU 97 CO -0.04 0.33 -0.06 -0.78 -0.00 0.00 0.00 176.35 175.80 1q53 h ASP 98 N 5.41 0.00 -4.60 1.48 1.82 -0.69 -3.44 116.42 116.41 1q53 h ASP 98 Ca -0.45 -0.12 -0.34 0.00 -0.39 0.00 0.00 57.03 55.73 1q53 h ASP 98 Cb 1.13 0.00 -0.22 0.00 0.68 0.00 0.00 39.33 40.93 1q53 h ASP 98 CO 0.48 0.88 -0.76 -0.54 -1.61 0.00 0.00 179.24 177.69 1q53 s LYS 99 N -2.19 0.67 -0.17 0.28 1.02 -1.19 -4.91 119.74 113.25 1q53 s LYS 99 Ca -0.16 -0.82 -0.05 0.00 0.02 0.00 0.00 55.97 54.96 1q53 s LYS 99 Cb 0.02 -0.56 0.08 0.00 -0.52 0.00 0.00 37.83 36.86 1q53 s LYS 99 CO 0.28 0.12 0.30 0.54 -0.92 0.00 0.00 175.35 175.67 1q53 s VAL 100 N -1.27 -0.47 -0.08 3.17 0.11 -1.26 -2.43 120.40 118.17 1q53 s VAL 100 Ca -0.06 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1q53 s VAL 100 Cb -0.10 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1q53 s VAL 100 CO 0.01 0.03 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.00 1q53 s LEU 101 N 2.46 1.11 -0.27 2.54 1.02 -1.03 -5.01 118.68 119.50 1q53 s LEU 101 Ca 0.03 -0.19 -0.08 0.00 0.02 0.00 0.00 54.13 53.91 1q53 s LEU 101 Cb -0.13 -0.61 -0.02 0.00 0.02 0.00 0.00 46.19 45.45 1q53 s LEU 101 CO -0.11 -0.10 0.09 0.68 0.02 0.00 0.00 176.35 176.93 1q53 s VAL 102 N 1.43 4.35 0.02 -1.59 -7.23 -1.26 -2.08 120.40 114.03 1q53 s VAL 102 Ca -0.02 -0.26 -0.02 0.00 -1.81 0.00 0.00 61.98 59.87 1q53 s VAL 102 Cb -0.13 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.70 1q53 s VAL 102 CO -0.03 0.26 0.02 -0.63 -0.31 0.00 0.00 175.10 174.41 1q53 s ILE 103 N 1.61 0.11 0.10 -0.62 -1.09 -0.58 -5.06 121.20 115.67 1q53 s ILE 103 Ca 0.06 -0.92 0.07 0.00 -2.23 0.00 0.00 60.65 57.63 1q53 s ILE 103 Cb -0.16 -0.42 -0.04 0.00 -1.58 0.00 0.00 42.46 40.26 1q53 s ILE 103 CO 0.04 -0.51 -0.11 -1.81 -1.23 0.00 0.00 174.94 171.32 1q53 s ASP 104 N -1.58 4.33 -0.00 3.58 1.01 -1.26 -0.98 116.67 121.76 1q53 s ASP 104 Ca -0.14 -0.41 0.01 0.00 0.71 0.00 0.00 52.55 52.72 1q53 s ASP 104 Cb -0.08 -0.80 0.00 0.00 1.01 0.00 0.00 42.92 43.05 1q53 s ASP 104 CO -0.01 0.18 -0.02 -0.47 0.21 0.00 0.00 175.17 175.06 1q53 s TYR 105 N -1.20 0.20 0.01 4.23 6.14 -0.66 -4.76 117.35 121.31 1q53 s TYR 105 Ca 0.21 -0.03 0.06 0.00 0.64 0.00 0.00 57.07 57.95 1q53 s TYR 105 Cb -0.11 -0.14 -0.02 0.00 0.42 0.00 0.00 41.96 42.11 1q53 s TYR 105 CO 0.13 -0.01 -0.18 0.21 0.64 0.00 0.00 175.55 176.34 1q53 s LYS 106 N 0.01 1.37 -1.00 4.97 2.20 -1.26 -2.68 119.74 123.35 1q53 s LYS 106 Ca 0.00 -0.76 -0.23 0.00 -0.36 0.00 0.00 55.97 54.62 1q53 s LYS 106 Cb -0.02 -1.39 0.00 0.00 -1.51 0.00 0.00 37.83 34.92 1q53 s LYS 106 CO -0.00 0.37 1.71 -1.25 -0.36 0.00 0.00 175.35 175.82 1q53 s PRO 107 N -0.78 3.11 -0.34 4.03 0.04 -1.26 -4.93 135.00 134.87 1q53 s PRO 107 Ca 0.06 -0.83 -0.08 0.00 0.04 0.00 0.00 61.00 60.20 1q53 s PRO 107 Cb -0.08 -5.24 0.03 0.00 0.04 0.00 0.00 34.50 29.25 1q53 s PRO 107 CO 0.00 -2.82 0.13 0.99 0.04 0.00 0.00 177.00 175.34 1q53 s THR 108 N 7.49 4.06 0.12 1.26 2.01 -1.26 -5.08 115.64 124.23 1q53 s THR 108 Ca 0.58 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.68 1q53 s THR 108 Cb -0.03 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1q53 s THR 108 CO -0.03 -0.13 0.13 -0.94 -0.69 0.00 0.00 174.62 172.96 1q53 s SER 109 N 1.47 5.65 -0.05 3.53 1.04 -1.26 -5.11 113.70 118.97 1q53 s SER 109 Ca 0.00 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 1q53 s SER 109 Cb -0.19 -1.53 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 1q53 s SER 109 CO 0.04 0.12 0.05 -0.69 0.98 0.00 0.00 173.24 173.74 1q53 s VAL 110 N -1.57 4.62 -0.03 5.02 1.01 -1.26 -5.07 120.40 123.12 1q53 s VAL 110 Ca 0.31 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1q53 s VAL 110 Cb -0.11 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1q53 s VAL 110 CO 0.23 0.48 1.41 -0.94 0.00 0.00 0.00 175.10 176.29 1q53 s SER 111 N -1.33 6.84 0.00 3.32 1.04 -1.26 -5.36 113.70 116.96 1q53 s SER 111 Ca 0.18 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.67 1q53 s SER 111 Cb -0.12 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1q53 s SER 111 CO 0.08 -0.75 0.22 0.00 0.98 0.00 0.00 173.24 173.77