#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 0.95 -3.53 1.61 7.64 -1.26 -5.03 113.62 114.00 1q53 n SER 2 Ca 0.00 0.15 -0.23 0.00 1.01 0.00 0.00 58.87 59.80 1q53 n SER 2 Cb 0.00 -0.51 0.21 0.00 -1.01 0.00 0.00 64.21 62.89 1q53 n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1q53 n HIS 3 N -3.44 -2.79 -3.68 1.43 -0.00 -1.26 -4.93 115.22 100.54 1q53 n HIS 3 Ca -0.06 -0.30 -0.36 0.00 -0.00 0.00 0.00 57.72 57.01 1q53 n HIS 3 Cb 0.21 -1.39 -0.08 0.00 -0.00 0.00 0.00 29.99 28.73 1q53 n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1q53 s MET 4 N -4.07 2.96 0.53 -0.41 -2.45 -1.26 -5.07 119.30 109.52 1q53 s MET 4 Ca 0.49 -3.00 -0.22 0.00 -1.25 0.00 0.00 55.69 51.71 1q53 s MET 4 Cb -0.09 -3.84 -0.06 0.00 1.25 0.00 0.00 34.83 32.09 1q53 s MET 4 CO 0.44 -1.23 1.27 -0.85 1.05 0.00 0.00 175.02 175.70 1q53 n GLU 5 N 2.75 1.61 -3.70 4.11 0.00 -1.26 -4.97 120.64 119.17 1q53 n GLU 5 Ca 0.16 0.59 -0.38 0.00 0.00 0.00 0.00 57.16 57.53 1q53 n GLU 5 Cb 0.37 -2.46 -0.12 0.00 0.00 0.00 0.00 31.44 29.23 1q53 n GLU 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1q53 s GLU 6 N -2.71 3.13 0.88 3.44 2.12 -1.26 -5.08 118.70 119.21 1q53 s GLU 6 Ca 0.70 -0.85 -0.10 0.00 0.36 0.00 0.00 54.97 55.08 1q53 s GLU 6 Cb -0.44 -3.49 0.13 0.00 0.26 0.00 0.00 34.13 30.59 1q53 s GLU 6 CO 0.51 -0.47 1.14 0.00 -0.54 0.00 0.00 175.26 175.90 1q53 s ALA 7 N 1.54 1.63 0.18 6.30 0.00 -1.26 -4.89 121.76 125.26 1q53 s ALA 7 Ca 0.03 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 52.40 1q53 s ALA 7 Cb -0.17 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 19.66 1q53 s ALA 7 CO 0.04 -2.56 1.65 -0.22 0.00 0.00 0.00 175.76 174.67 1q53 h LYS 8 N -1.66 -0.03 0.00 0.00 1.63 -2.03 -3.41 116.57 111.07 1q53 h LYS 8 Ca -0.43 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.25 1q53 h LYS 8 Cb 1.26 0.01 0.07 0.00 -0.60 0.00 0.00 32.23 32.97 1q53 h LYS 8 CO 0.43 -0.02 -0.06 0.41 -3.45 0.00 0.00 179.45 176.77 1q53 n GLY 9 N -1.37 -2.39 3.80 5.01 0.00 -1.26 -4.86 105.19 104.13 1q53 n GLY 9 Ca 0.04 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1q53 n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q53 s PRO 10 N -2.89 1.96 -0.02 1.61 0.04 -1.26 -5.07 135.00 129.37 1q53 s PRO 10 Ca 0.21 0.59 0.01 0.00 0.04 0.00 0.00 61.00 61.84 1q53 s PRO 10 Cb -0.04 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1q53 s PRO 10 CO 0.18 -1.69 -0.01 0.08 0.04 0.00 0.00 177.00 175.59 1q53 s VAL 11 N -3.18 0.19 -0.04 -0.36 1.01 -1.26 -4.46 120.40 112.30 1q53 s VAL 11 Ca 0.61 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.60 1q53 s VAL 11 Cb -0.14 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1q53 s VAL 11 CO 0.54 0.10 -0.10 -0.54 0.00 0.00 0.00 175.10 175.10 1q53 s LYS 12 N 0.47 1.24 -0.08 2.72 3.01 -1.09 -3.25 119.74 122.76 1q53 s LYS 12 Ca -0.04 -0.35 -0.06 0.00 -1.01 0.00 0.00 55.97 54.51 1q53 s LYS 12 Cb -0.07 -1.11 -0.04 0.00 -1.01 0.00 0.00 37.83 35.60 1q53 s LYS 12 CO -0.01 0.08 0.18 -1.58 0.51 0.00 0.00 175.35 174.53 1q53 s HIS 13 N 0.39 3.59 -0.30 3.18 2.46 -1.11 -1.19 115.29 122.31 1q53 s HIS 13 Ca -0.07 0.52 -0.10 0.00 0.47 0.00 0.00 55.06 55.88 1q53 s HIS 13 Cb -0.12 -1.94 -0.02 0.00 -0.13 0.00 0.00 32.58 30.38 1q53 s HIS 13 CO 0.01 0.70 0.15 0.08 -2.47 0.00 0.00 174.74 173.21 1q53 s VAL 14 N -1.13 4.70 -0.04 0.89 1.01 0.23 -3.20 120.40 122.87 1q53 s VAL 14 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1q53 s VAL 14 Cb -0.13 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1q53 s VAL 14 CO 0.09 0.14 -0.06 -0.22 0.00 0.00 0.00 175.10 175.05 1q53 s LEU 15 N 1.64 1.55 0.03 3.92 0.20 -1.13 -0.27 118.68 124.62 1q53 s LEU 15 Ca 0.05 -0.15 0.04 0.00 0.69 0.00 0.00 54.13 54.76 1q53 s LEU 15 Cb -0.17 -0.48 -0.02 0.00 -0.43 0.00 0.00 46.19 45.09 1q53 s LEU 15 CO 0.07 -0.00 -0.12 -1.48 -0.29 0.00 0.00 176.35 174.53 1q53 s LEU 16 N 0.59 2.14 -0.08 -0.68 0.05 -1.12 0.17 118.68 119.75 1q53 s LEU 16 Ca -0.09 -0.38 -0.29 0.00 0.05 0.00 0.00 54.13 53.42 1q53 s LEU 16 Cb -0.12 -0.49 0.07 0.00 -2.05 0.00 0.00 46.19 43.60 1q53 s LEU 16 CO 0.01 0.02 0.66 0.00 -0.55 0.00 0.00 176.35 176.49 1q53 s ALA 17 N -0.73 -1.71 0.04 1.48 0.00 -1.22 -2.00 121.76 117.61 1q53 s ALA 17 Ca 0.00 1.35 0.09 0.00 0.00 0.00 0.00 51.96 53.41 1q53 s ALA 17 Cb -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1q53 s ALA 17 CO 0.01 -0.36 -0.26 -1.54 0.00 0.00 0.00 175.76 173.60 1q53 s SER 18 N -0.99 3.15 -0.37 0.00 1.04 -0.78 -4.30 113.70 111.45 1q53 s SER 18 Ca -0.10 -0.58 -0.21 0.00 0.48 0.00 0.00 55.95 55.54 1q53 s SER 18 Cb -0.01 -0.29 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1q53 s SER 18 CO 0.08 0.26 0.67 -0.36 0.98 0.00 0.00 173.24 174.88 1q53 s PHE 19 N -0.79 3.13 0.27 5.02 0.08 -1.26 0.23 117.98 124.66 1q53 s PHE 19 Ca 0.12 0.36 0.04 0.00 0.12 0.00 0.00 56.93 57.57 1q53 s PHE 19 Cb -0.10 -3.22 0.04 0.00 -0.57 0.00 0.00 43.02 39.18 1q53 s PHE 19 CO 0.02 -0.67 0.37 1.17 -0.10 0.00 0.00 175.22 176.00 1q53 n LYS 20 N 6.15 0.82 -0.25 0.44 4.81 0.18 -4.68 118.16 125.63 1q53 n LYS 20 Ca -0.00 -1.45 0.03 0.00 -0.87 0.00 0.00 58.31 56.02 1q53 n LYS 20 Cb 0.48 -0.11 -0.01 0.00 0.02 0.00 0.00 35.03 35.41 1q53 n LYS 20 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1q53 n ASP 21 N -2.68 -1.47 -1.40 3.14 2.03 -1.26 -4.31 116.55 110.60 1q53 n ASP 21 Ca 0.08 0.20 -0.07 0.00 0.52 0.00 0.00 54.79 55.51 1q53 n ASP 21 Cb 0.28 -0.82 0.05 0.00 -0.72 0.00 0.00 41.12 39.91 1q53 n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q53 n GLY 22 N -2.71 2.81 3.64 0.27 0.00 -1.26 -4.88 105.19 103.07 1q53 n GLY 22 Ca -0.01 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1q53 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q53 s VAL 23 N -1.02 4.18 0.90 1.61 0.11 -1.26 -4.97 120.40 119.95 1q53 s VAL 23 Ca 0.17 1.39 -0.17 0.00 -2.93 0.00 0.00 61.98 60.44 1q53 s VAL 23 Cb 0.14 -4.06 -0.14 0.00 -1.53 0.00 0.00 36.38 30.80 1q53 s VAL 23 CO 0.03 -0.30 -0.58 -1.20 -3.33 0.00 0.00 175.10 169.72 1q53 n SER 24 N 7.18 -5.26 0.07 3.54 7.64 -1.26 -4.87 113.62 120.67 1q53 n SER 24 Ca 0.15 0.28 -0.09 0.00 1.01 0.00 0.00 58.87 60.21 1q53 n SER 24 Cb 0.46 -0.82 0.01 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.85 0.29 -0.25 1.43 0.13 -1.99 -3.07 132.00 127.69 1q53 h PRO 25 Ca -0.43 -0.28 0.07 0.00 -0.87 0.00 0.00 66.00 64.49 1q53 h PRO 25 Cb 1.33 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1q53 h PRO 25 CO 0.28 0.97 0.22 1.49 -0.23 0.00 0.00 178.00 180.72 1q53 h GLU 26 N 0.18 0.00 -0.02 0.86 4.81 -2.01 0.38 114.58 118.78 1q53 h GLU 26 Ca -0.04 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1q53 h GLU 26 Cb 1.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 1q53 h GLU 26 CO 0.13 0.00 -0.64 -0.22 -0.73 0.00 0.00 179.01 177.55 1q53 h LYS 27 N 0.00 0.10 -0.60 1.92 1.63 -1.87 -2.75 116.57 115.00 1q53 h LYS 27 Ca 0.12 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 1q53 h LYS 27 Cb 0.56 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 1q53 h LYS 27 CO -0.00 0.71 0.16 0.82 -3.45 0.00 0.00 179.45 177.68 1q53 h ILE 28 N 0.07 1.24 -0.38 2.00 2.04 -0.32 -2.36 117.51 119.80 1q53 h ILE 28 Ca -0.01 -0.84 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 1q53 h ILE 28 Cb 1.14 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1q53 h ILE 28 CO 0.09 0.32 -0.02 -0.08 0.00 0.00 0.00 178.15 178.46 1q53 h GLU 29 N 0.89 0.69 -0.72 2.37 4.22 -1.29 -2.23 114.58 118.50 1q53 h GLU 29 Ca 0.20 -0.23 0.10 0.00 0.08 0.00 0.00 59.36 59.51 1q53 h GLU 29 Cb 0.30 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 1q53 h GLU 29 CO -0.00 0.80 0.34 0.93 -2.18 0.00 0.00 179.01 178.89 1q53 h GLU 30 N 0.50 0.55 -0.26 1.92 5.08 -1.18 1.47 114.58 122.67 1q53 h GLU 30 Ca 0.11 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1q53 h GLU 30 Cb 0.50 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1q53 h GLU 30 CO 0.02 0.36 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.24 1q53 h LEU 31 N 0.57 0.39 0.07 1.33 -0.00 -1.25 0.74 115.31 117.16 1q53 h LEU 31 Ca 0.36 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1q53 h LEU 31 Cb 0.43 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1q53 h LEU 31 CO -0.30 0.53 -0.03 0.40 -0.00 0.00 0.00 178.44 179.04 1q53 h ILE 32 N 0.39 1.17 -0.66 1.22 1.08 -0.03 0.34 117.51 121.02 1q53 h ILE 32 Ca 0.08 -1.47 0.15 0.00 -0.39 0.00 0.00 64.86 63.23 1q53 h ILE 32 Cb 0.41 2.03 -0.04 0.00 -3.07 0.00 0.00 36.82 36.15 1q53 h ILE 32 CO 0.02 0.33 0.45 0.07 -0.69 0.00 0.00 178.15 178.34 1q53 h LYS 33 N -0.84 0.21 0.04 2.37 2.10 0.20 -1.77 116.57 118.89 1q53 h LYS 33 Ca -0.01 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1q53 h LYS 33 Cb 0.62 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1q53 h LYS 33 CO 0.02 0.14 -0.02 0.78 -2.00 0.00 0.00 179.45 178.36 1q53 h GLY 34 N 0.21 -0.06 -0.93 0.07 0.00 -0.83 -3.16 103.07 98.37 1q53 h GLY 34 Ca 0.32 0.02 0.23 0.00 0.00 0.00 0.00 47.33 47.90 1q53 h GLY 34 CO -0.06 -0.02 -0.12 -0.97 0.00 0.00 0.00 176.54 175.37 1q53 h TYR 35 N -0.88 -0.30 -0.66 5.60 -1.99 -0.06 1.56 116.97 120.24 1q53 h TYR 35 Ca -0.01 0.08 0.01 0.00 2.00 0.00 0.00 58.73 60.81 1q53 h TYR 35 Cb 0.67 0.29 -0.03 0.00 2.00 0.00 0.00 36.73 39.65 1q53 h TYR 35 CO 0.16 -0.42 0.43 0.00 -0.00 0.00 0.00 178.16 178.34 1q53 h ALA 36 N 1.97 0.84 -0.60 3.88 0.00 -1.54 0.94 119.26 124.74 1q53 h ALA 36 Ca 0.52 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 1q53 h ALA 36 Cb 0.93 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1q53 h ALA 36 CO -0.95 0.25 0.03 -0.91 0.00 0.00 0.00 179.25 177.67 1q53 h ASN 37 N 0.88 0.99 -0.34 0.00 4.21 0.17 -0.33 115.58 121.17 1q53 h ASN 37 Ca 0.25 -0.26 -0.08 0.00 1.21 0.00 0.00 56.30 57.42 1q53 h ASN 37 Cb -0.09 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 36.84 1q53 h ASN 37 CO -0.06 1.02 -0.10 0.25 -1.29 0.00 0.00 177.43 177.26 1q53 h LEU 38 N 0.95 0.67 -1.65 1.61 5.85 0.20 -2.52 115.31 120.41 1q53 h LEU 38 Ca 0.18 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1q53 h LEU 38 Cb 0.50 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1q53 h LEU 38 CO 0.02 0.89 0.09 0.58 -0.34 0.00 0.00 178.44 179.68 1q53 h VAL 39 N 0.44 1.10 0.00 1.05 2.07 0.12 0.16 116.25 121.19 1q53 h VAL 39 Ca 0.08 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1q53 h VAL 39 Cb 0.60 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1q53 h VAL 39 CO 0.04 0.11 -0.25 -1.13 0.02 0.00 0.00 177.57 176.36 1q53 h ASN 40 N 0.32 0.00 0.00 0.57 -0.00 -0.65 -3.15 115.58 112.67 1q53 h ASN 40 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.36 1q53 h ASN 40 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.39 1q53 h ASN 40 CO -0.01 0.25 -0.19 -0.07 -0.00 0.00 0.00 177.43 177.41 1q53 h LEU 41 N 0.00 0.00 -8.41 0.34 3.38 -0.46 -3.45 115.31 106.71 1q53 h LEU 41 Ca -0.00 -0.29 -0.77 0.00 0.09 0.00 0.00 57.88 56.90 1q53 h LEU 41 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1q53 h LEU 41 CO 0.03 0.75 1.17 -0.38 0.09 0.00 0.00 178.44 180.10 1q53 n ILE 42 N -4.68 0.06 0.22 1.22 2.08 0.30 -4.81 119.36 113.74 1q53 n ILE 42 Ca -0.06 -0.05 -0.15 0.00 0.56 0.00 0.00 62.75 63.04 1q53 n ILE 42 Cb 0.22 -0.77 -0.08 0.00 -0.75 0.00 0.00 39.64 38.26 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 8.59 -0.47 -6.17 0.38 5.08 -1.87 -3.38 114.58 116.75 1q53 h GLU 43 Ca -0.23 0.03 -0.52 0.00 -1.00 0.00 0.00 59.36 57.64 1q53 h GLU 43 Cb 1.38 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.68 1q53 h GLU 43 CO 1.04 -0.30 1.20 -1.25 -1.00 0.00 0.00 179.01 178.70 1q53 s PRO 44 N -6.06 2.91 -0.30 2.33 0.04 -1.26 -4.84 135.00 127.82 1q53 s PRO 44 Ca -0.15 0.16 -0.14 0.00 0.04 0.00 0.00 61.00 60.91 1q53 s PRO 44 Cb 0.04 -4.29 0.18 0.00 0.04 0.00 0.00 34.50 30.47 1q53 s PRO 44 CO 0.64 -2.44 1.11 1.41 0.04 0.00 0.00 177.00 177.75 1q53 s MET 45 N 6.37 0.11 0.10 4.56 1.75 -1.26 -4.83 119.30 126.10 1q53 s MET 45 Ca 0.51 0.15 -0.28 0.00 -1.25 0.00 0.00 55.69 54.81 1q53 s MET 45 Cb -0.10 0.08 -0.13 0.00 2.84 0.00 0.00 34.83 37.52 1q53 s MET 45 CO 0.17 -0.17 1.65 0.87 -0.65 0.00 0.00 175.02 176.90 1q53 h LYS 46 N 7.56 -0.51 -1.63 4.11 1.79 -1.89 -3.46 116.57 122.53 1q53 h LYS 46 Ca -0.11 0.04 0.16 0.00 -2.18 0.00 0.00 60.65 58.56 1q53 h LYS 46 Cb 1.17 0.12 -0.21 0.00 -1.58 0.00 0.00 32.23 31.74 1q53 h LYS 46 CO -0.14 -0.34 0.67 0.00 -1.08 0.00 0.00 179.45 178.56 1q53 s ALA 47 N -6.08 -1.97 -0.10 3.86 0.00 -1.25 -5.07 121.76 111.15 1q53 s ALA 47 Ca -0.16 1.50 -0.00 0.00 0.00 0.00 0.00 51.96 53.30 1q53 s ALA 47 Cb 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1q53 s ALA 47 CO 0.64 -0.47 -0.08 0.12 0.00 0.00 0.00 175.76 175.97 1q53 s PHE 48 N -1.95 2.90 0.03 0.00 5.36 -1.26 -3.00 117.98 120.06 1q53 s PHE 48 Ca 0.05 -0.24 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 1q53 s PHE 48 Cb -0.01 -1.80 -0.02 0.00 -0.34 0.00 0.00 43.02 40.86 1q53 s PHE 48 CO -0.04 0.09 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.73 1q53 s HIS 49 N -0.22 0.64 0.20 10.12 3.76 -0.77 -5.02 115.29 124.01 1q53 s HIS 49 Ca 0.02 -0.34 -0.04 0.00 -0.15 0.00 0.00 55.06 54.55 1q53 s HIS 49 Cb -0.13 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.14 1q53 s HIS 49 CO 0.03 -0.05 0.21 1.67 -0.85 0.00 0.00 174.74 175.75 1q53 s TRP 50 N -0.89 0.92 -0.00 1.40 1.48 -1.26 -1.65 118.94 118.94 1q53 s TRP 50 Ca -0.05 -1.19 -0.28 0.00 -1.06 0.00 0.00 56.10 53.52 1q53 s TRP 50 Cb -0.07 -0.36 0.10 0.00 -1.16 0.00 0.00 33.47 31.97 1q53 s TRP 50 CO 0.00 -0.71 0.83 0.20 -4.06 0.00 0.00 176.95 173.20 1q53 s GLY 51 N -3.11 -0.48 0.10 3.67 0.00 -1.08 -4.93 107.32 101.48 1q53 s GLY 51 Ca 0.33 1.10 0.06 0.00 0.00 0.00 0.00 44.72 46.21 1q53 s GLY 51 CO 0.10 0.47 -0.06 -1.59 0.00 0.00 0.00 173.10 172.03 1q53 s LYS 52 N -2.74 2.31 -0.74 2.90 -2.85 -1.26 -2.66 119.74 114.71 1q53 s LYS 52 Ca 0.01 -0.94 -0.26 0.00 -1.00 0.00 0.00 55.97 53.79 1q53 s LYS 52 Cb -0.01 -2.41 -0.06 0.00 -2.06 0.00 0.00 37.83 33.29 1q53 s LYS 52 CO -0.06 0.52 2.11 0.16 0.10 0.00 0.00 175.35 178.18 1q53 s ASP 53 N -2.23 4.77 -0.32 0.03 -4.77 -0.97 -4.91 116.67 108.28 1q53 s ASP 53 Ca 0.23 0.04 -0.28 0.00 -3.30 0.00 0.00 52.55 49.23 1q53 s ASP 53 Cb -0.11 -2.54 0.02 0.00 -1.09 0.00 0.00 42.92 39.19 1q53 s ASP 53 CO 0.15 -2.94 1.04 -0.69 0.70 0.00 0.00 175.17 173.44 1q53 s VAL 54 N 11.26 4.55 0.00 2.11 1.01 -1.26 -4.93 120.40 133.14 1q53 s VAL 54 Ca 0.79 1.68 0.00 0.00 0.00 0.00 0.00 61.98 64.45 1q53 s VAL 54 Cb -0.11 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1q53 s VAL 54 CO 0.11 -0.45 0.00 -0.24 0.00 0.00 0.00 175.10 174.52 1q53 n SER 55 N 6.78 0.00 -0.20 3.32 2.88 -1.26 -5.02 113.62 120.11 1q53 n SER 55 Ca 0.11 -0.47 0.02 0.00 -1.33 0.00 0.00 58.87 57.21 1q53 n SER 55 Cb 0.47 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1q53 n SER 55 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1q53 n ILE 56 N 0.00 0.18 -2.01 2.46 -5.35 -1.26 -5.08 119.36 108.30 1q53 n ILE 56 Ca 0.00 -0.59 -0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1q53 n ILE 56 Cb 0.00 0.99 -0.00 0.00 -1.74 0.00 0.00 39.64 38.89 1q53 n ILE 56 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1q53 n GLU 57 N 0.20 -3.73 0.07 6.28 1.02 -1.26 -5.04 120.64 118.18 1q53 n GLU 57 Ca 0.03 2.85 0.00 0.00 -0.02 0.00 0.00 57.16 60.02 1q53 n GLU 57 Cb 0.15 -3.61 0.00 0.00 -0.02 0.00 0.00 31.44 27.97 1q53 n GLU 57 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1q53 n ASN 58 N 1.32 -1.24 -3.94 1.62 2.85 -1.26 -5.05 115.26 109.56 1q53 n ASN 58 Ca -0.03 0.44 -0.30 0.00 -0.11 0.00 0.00 54.58 54.58 1q53 n ASN 58 Cb 0.05 1.40 -0.13 0.00 1.24 0.00 0.00 39.78 42.34 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 -5.47 4.52 0.01 1.20 2.01 -1.26 -5.06 118.68 114.63 1q53 s LEU 59 Ca 0.00 -3.28 0.01 0.00 0.01 0.00 0.00 54.13 50.87 1q53 s LEU 59 Cb 0.00 -1.65 -0.01 0.00 0.01 0.00 0.00 46.19 44.54 1q53 s LEU 59 CO 0.00 -0.19 -0.04 -1.38 1.01 0.00 0.00 176.35 175.75 1q53 s HIS 60 N -0.66 0.33 -0.35 0.29 -3.43 -1.26 -5.03 115.29 105.18 1q53 s HIS 60 Ca 0.20 -0.26 0.21 0.00 -0.80 0.00 0.00 55.06 54.40 1q53 s HIS 60 Cb -0.19 -0.21 0.26 0.00 -1.43 0.00 0.00 32.58 31.01 1q53 s HIS 60 CO -0.05 -0.07 1.56 1.96 -2.00 0.00 0.00 174.74 176.14 1q53 h GLN 61 N 5.39 0.00 0.00 -0.38 7.50 -2.07 -3.47 115.11 122.08 1q53 h GLN 61 Ca -0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.86 1q53 h GLN 61 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.73 1q53 h GLN 61 CO 0.46 0.16 0.00 0.41 -1.50 0.00 0.00 178.83 178.36 1q53 n GLY 62 N 1.13 1.00 0.27 3.46 0.00 -1.26 -5.04 105.19 104.76 1q53 n GLY 62 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 0.90 0.00 1.61 0.05 -1.94 -3.44 116.97 114.15 1q53 h TYR 63 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1q53 h TYR 63 Cb 0.00 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.45 1q53 h TYR 63 CO 0.00 0.64 0.00 0.25 -1.05 0.00 0.00 178.16 178.00 1q53 n THR 64 N -4.53 0.00 -3.62 -2.88 -2.24 -1.26 -4.34 114.28 95.40 1q53 n THR 64 Ca 0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 1q53 n THR 64 Cb 0.09 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.35 -0.03 4.78 3.76 -1.26 -2.29 115.29 119.90 1q53 s HIS 65 Ca 0.00 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.96 1q53 s HIS 65 Cb 0.00 0.62 0.03 0.00 1.11 0.00 0.00 32.58 34.34 1q53 s HIS 65 CO 0.00 -0.96 0.04 0.96 -0.85 0.00 0.00 174.74 173.93 1q53 s ILE 66 N -3.71 -0.05 -0.38 0.60 -5.25 -1.09 -3.37 121.20 107.96 1q53 s ILE 66 Ca 0.06 0.26 -0.13 0.00 -0.99 0.00 0.00 60.65 59.86 1q53 s ILE 66 Cb -0.03 -0.12 0.02 0.00 2.95 0.00 0.00 42.46 45.28 1q53 s ILE 66 CO -0.04 0.12 0.24 -0.36 -1.79 0.00 0.00 174.94 173.11 1q53 s PHE 67 N 1.37 3.23 -0.16 1.37 0.08 0.44 -2.64 117.98 121.68 1q53 s PHE 67 Ca -0.05 -0.68 -0.08 0.00 0.12 0.00 0.00 56.93 56.23 1q53 s PHE 67 Cb -0.13 -2.50 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 1q53 s PHE 67 CO -0.03 -0.57 0.14 -1.83 -0.10 0.00 0.00 175.22 172.83 1q53 s GLU 68 N 1.63 3.79 -0.17 0.44 1.03 -0.66 -2.82 118.70 121.95 1q53 s GLU 68 Ca 0.04 -0.17 0.00 0.00 0.03 0.00 0.00 54.97 54.87 1q53 s GLU 68 Cb -0.19 -3.30 0.03 0.00 -0.80 0.00 0.00 34.13 29.88 1q53 s GLU 68 CO 0.08 0.56 -0.12 0.45 -1.33 0.00 0.00 175.26 174.90 1q53 s SER 69 N -0.39 2.95 -0.03 0.83 0.15 -1.19 -1.84 113.70 114.18 1q53 s SER 69 Ca 0.12 -0.65 -0.29 0.00 0.70 0.00 0.00 55.95 55.83 1q53 s SER 69 Cb -0.12 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.99 1q53 s SER 69 CO 0.01 -0.10 0.96 0.28 1.20 0.00 0.00 173.24 175.60 1q53 s THR 70 N 1.47 4.86 0.43 6.45 -1.32 -1.16 -2.76 115.64 123.61 1q53 s THR 70 Ca 0.02 2.01 0.04 0.00 -1.21 0.00 0.00 61.69 62.55 1q53 s THR 70 Cb -0.14 -4.30 -0.04 0.00 -1.51 0.00 0.00 72.50 66.51 1q53 s THR 70 CO -0.10 0.13 0.03 -0.36 -2.21 0.00 0.00 174.62 172.12 1q53 s PHE 71 N 1.21 2.09 -0.38 9.09 0.08 -1.20 -3.81 117.98 125.06 1q53 s PHE 71 Ca 0.50 -0.91 0.03 0.00 0.12 0.00 0.00 56.93 56.67 1q53 s PHE 71 Cb -0.20 -1.55 0.29 0.00 -0.57 0.00 0.00 43.02 40.99 1q53 s PHE 71 CO 0.25 0.19 1.21 0.39 -0.10 0.00 0.00 175.22 177.16 1q53 n GLU 72 N -1.03 0.40 0.00 0.44 1.02 -1.26 -4.29 120.64 115.92 1q53 n GLU 72 Ca -0.10 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.95 1q53 n GLU 72 Cb 0.67 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 1q53 n GLU 72 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1q53 n SER 73 N 1.04 0.00 0.00 1.62 2.88 -1.26 -5.00 113.62 112.90 1q53 n SER 73 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1q53 n SER 73 Cb 0.71 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.00 0.21 -1.46 3.00 -1.26 -4.06 118.16 114.59 1q53 n LYS 74 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 1q53 n LYS 74 Cb 0.00 0.00 0.49 0.00 0.00 0.00 0.00 35.03 35.52 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 0.03 -0.17 1.64 5.08 -2.01 -2.04 114.58 117.11 1q53 h GLU 75 Ca 0.00 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1q53 h GLU 75 Cb 0.00 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1q53 h GLU 75 CO 0.00 0.20 -0.74 0.00 -1.00 0.00 0.00 179.01 177.46 1q53 h ALA 76 N 1.81 0.35 -0.97 3.43 0.00 -1.95 -2.96 119.26 118.97 1q53 h ALA 76 Ca 0.00 -0.59 0.25 0.00 0.00 0.00 0.00 54.91 54.58 1q53 h ALA 76 Cb 0.31 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1q53 h ALA 76 CO 0.02 0.69 0.66 0.28 0.00 0.00 0.00 179.25 180.90 1q53 h VAL 77 N 0.55 0.57 -0.50 0.00 2.07 -1.69 0.70 116.25 117.94 1q53 h VAL 77 Ca -0.04 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1q53 h VAL 77 Cb 1.37 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1q53 h VAL 77 CO 0.15 0.04 0.01 0.00 0.02 0.00 0.00 177.57 177.79 1q53 h ALA 78 N 1.57 0.67 -0.83 1.67 0.00 -1.43 0.22 119.26 121.12 1q53 h ALA 78 Ca 0.50 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1q53 h ALA 78 Cb 1.56 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1q53 h ALA 78 CO -0.13 0.47 0.39 0.93 0.00 0.00 0.00 179.25 180.90 1q53 h GLU 79 N 0.73 1.21 -0.27 0.00 3.07 0.32 0.15 114.58 119.79 1q53 h GLU 79 Ca 0.14 -0.19 -0.19 0.00 -0.50 0.00 0.00 59.36 58.63 1q53 h GLU 79 Cb 0.50 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1q53 h GLU 79 CO 0.02 0.94 -0.56 -0.92 -1.40 0.00 0.00 179.01 177.09 1q53 h TYR 80 N 1.19 1.06 0.00 4.33 3.20 -0.89 -2.72 116.97 123.15 1q53 h TYR 80 Ca 0.29 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1q53 h TYR 80 Cb 0.14 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1q53 h TYR 80 CO 0.02 1.21 0.00 0.97 -1.64 0.00 0.00 178.16 178.71 1q53 h ILE 81 N 0.64 0.00 -0.93 1.81 2.10 -0.23 -2.45 117.51 118.44 1q53 h ILE 81 Ca 0.01 -0.45 -0.54 0.00 1.08 0.00 0.00 64.86 64.96 1q53 h ILE 81 Cb 1.17 1.35 -0.29 0.00 -1.09 0.00 0.00 36.82 37.96 1q53 h ILE 81 CO 0.12 0.00 0.62 0.00 -1.08 0.00 0.00 178.15 177.81 1q53 n ALA 82 N -1.96 5.70 -2.84 0.18 0.00 0.48 -4.89 120.51 117.18 1q53 n ALA 82 Ca 0.02 -3.13 -0.37 0.00 0.00 0.00 0.00 53.44 49.97 1q53 n ALA 82 Cb 0.30 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.47 3.52 0.19 0.00 5.04 -0.92 -4.97 115.29 114.68 1q53 s HIS 83 Ca 0.58 0.46 0.05 0.00 -1.54 0.00 0.00 55.06 54.61 1q53 s HIS 83 Cb 0.48 -1.94 0.09 0.00 0.04 0.00 0.00 32.58 31.25 1q53 s HIS 83 CO 0.06 0.66 1.44 -1.00 -2.34 0.00 0.00 174.74 173.56 1q53 h PRO 84 N 5.17 0.14 -0.62 2.88 0.13 -1.92 -1.84 132.00 135.94 1q53 h PRO 84 Ca -0.53 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 1q53 h PRO 84 Cb 1.22 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1q53 h PRO 84 CO 0.59 0.86 0.34 0.00 -0.23 0.00 0.00 178.00 179.56 1q53 h ALA 85 N 1.09 0.79 -0.11 -0.56 0.00 -1.95 0.41 119.26 118.93 1q53 h ALA 85 Ca -0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1q53 h ALA 85 Cb 1.38 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1q53 h ALA 85 CO 0.12 0.31 -0.17 1.25 0.00 0.00 0.00 179.25 180.75 1q53 h HIS 86 N 0.84 0.39 -0.73 0.00 -0.00 -1.88 -2.85 115.15 110.92 1q53 h HIS 86 Ca 0.22 -0.13 0.07 0.00 -0.00 0.00 0.00 60.37 60.53 1q53 h HIS 86 Cb 0.04 -0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.31 1q53 h HIS 86 CO -0.01 0.78 0.41 0.28 -0.00 0.00 0.00 177.93 179.39 1q53 h VAL 87 N -0.11 0.94 -0.61 5.26 2.07 -1.07 0.99 116.25 123.71 1q53 h VAL 87 Ca 0.01 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.37 1q53 h VAL 87 Cb 0.74 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1q53 h VAL 87 CO 0.04 0.13 0.25 -0.08 0.02 0.00 0.00 177.57 177.93 1q53 h GLU 88 N 0.72 0.44 0.00 1.57 4.81 -0.14 0.86 114.58 122.84 1q53 h GLU 88 Ca 0.34 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.31 1q53 h GLU 88 Cb 0.27 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.55 1q53 h GLU 88 CO -0.22 0.29 -0.96 0.74 -0.73 0.00 0.00 179.01 178.13 1q53 h PHE 89 N 0.45 0.67 -0.46 0.92 -1.00 -0.96 -2.65 116.94 113.91 1q53 h PHE 89 Ca 0.30 -0.36 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 1q53 h PHE 89 Cb 0.35 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1q53 h PHE 89 CO -0.15 1.19 0.16 0.00 -1.61 0.00 0.00 178.31 177.90 1q53 h ALA 90 N 0.69 0.60 -0.55 2.45 0.00 0.19 0.33 119.26 122.97 1q53 h ALA 90 Ca -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1q53 h ALA 90 Cb 1.60 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1q53 h ALA 90 CO 0.17 0.23 0.30 1.15 0.00 0.00 0.00 179.25 181.10 1q53 h THR 91 N 0.61 1.19 -0.02 0.00 2.02 0.68 -0.62 112.91 116.76 1q53 h THR 91 Ca 0.15 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1q53 h THR 91 Cb 0.23 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1q53 h THR 91 CO -0.01 0.20 0.01 0.40 0.37 0.00 0.00 175.52 176.49 1q53 h ILE 92 N 0.74 1.04 -0.50 3.11 2.04 -1.18 -2.45 117.51 120.31 1q53 h ILE 92 Ca 0.19 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 66.02 1q53 h ILE 92 Cb 0.06 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1q53 h ILE 92 CO -0.03 0.03 0.13 0.15 0.00 0.00 0.00 178.15 178.43 1q53 h PHE 93 N -0.01 0.21 -0.26 1.37 3.04 -0.65 0.30 116.94 120.93 1q53 h PHE 93 Ca 0.01 0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.06 1q53 h PHE 93 Cb 0.04 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1q53 h PHE 93 CO -0.06 0.03 0.27 -0.07 -2.02 0.00 0.00 178.31 176.45 1q53 h LEU 94 N 0.27 0.00 -2.30 0.59 3.38 -0.81 0.31 115.31 116.75 1q53 h LEU 94 Ca 0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.23 1q53 h LEU 94 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1q53 h LEU 94 CO -0.30 0.00 0.05 1.23 0.09 0.00 0.00 178.44 179.50 1q53 h GLY 95 N 0.00 0.00 -5.02 0.83 0.00 0.07 -3.05 103.07 95.91 1q53 h GLY 95 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.12 1q53 h GLY 95 CO -0.00 0.00 -1.02 1.44 0.00 0.00 0.00 176.54 176.96 1q53 n SER 96 N -4.02 0.72 -4.39 0.19 7.64 0.98 -4.94 113.62 109.80 1q53 n SER 96 Ca -0.02 -2.67 -0.32 0.00 1.01 0.00 0.00 58.87 56.88 1q53 n SER 96 Cb 0.14 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 62.99 1q53 n SER 96 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1q53 s LEU 97 N -3.12 2.38 0.00 -3.43 -0.00 -0.55 -0.65 118.68 113.32 1q53 s LEU 97 Ca 0.26 -0.37 0.00 0.00 -0.00 0.00 0.00 54.13 54.02 1q53 s LEU 97 Cb 0.44 -1.44 0.00 0.00 -0.00 0.00 0.00 46.19 45.20 1q53 s LEU 97 CO 0.01 0.32 0.00 -0.67 -0.00 0.00 0.00 176.35 176.01 1q53 n ASP 98 N 2.21 0.00 -4.44 1.48 2.03 0.62 -4.36 116.55 114.09 1q53 n ASP 98 Ca -0.17 0.04 -0.23 0.00 0.52 0.00 0.00 54.79 54.95 1q53 n ASP 98 Cb 0.52 -0.06 -0.10 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.11 1.61 -0.20 -0.67 1.02 -1.25 -4.94 119.74 115.20 1q53 s LYS 99 Ca 0.00 -1.73 -0.09 0.00 0.02 0.00 0.00 55.97 54.18 1q53 s LYS 99 Cb 0.00 -1.64 0.08 0.00 -0.52 0.00 0.00 37.83 35.75 1q53 s LYS 99 CO 0.00 0.30 0.45 0.54 -0.92 0.00 0.00 175.35 175.72 1q53 s VAL 100 N -2.58 -0.35 -0.05 3.17 0.11 -1.26 -1.86 120.40 117.58 1q53 s VAL 100 Ca 0.28 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 1q53 s VAL 100 Cb -0.04 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1q53 s VAL 100 CO 0.13 0.05 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.11 1q53 s LEU 101 N 2.03 1.49 -0.22 2.54 2.01 -0.85 -5.04 118.68 120.65 1q53 s LEU 101 Ca -0.06 -0.20 -0.09 0.00 0.01 0.00 0.00 54.13 53.79 1q53 s LEU 101 Cb -0.10 -0.60 -0.05 0.00 0.01 0.00 0.00 46.19 45.45 1q53 s LEU 101 CO -0.14 -0.01 0.13 -0.69 1.01 0.00 0.00 176.35 176.65 1q53 s VAL 102 N 0.76 5.16 -0.00 -1.59 1.01 -1.26 -2.80 120.40 121.68 1q53 s VAL 102 Ca -0.13 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1q53 s VAL 102 Cb -0.15 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1q53 s VAL 102 CO 0.02 0.39 0.09 -0.63 0.00 0.00 0.00 175.10 174.96 1q53 s ILE 103 N 0.82 0.08 -0.06 2.22 -1.09 0.62 -5.04 121.20 118.75 1q53 s ILE 103 Ca 0.06 -0.63 0.06 0.00 -2.23 0.00 0.00 60.65 57.91 1q53 s ILE 103 Cb -0.13 -0.34 -0.01 0.00 -1.58 0.00 0.00 42.46 40.40 1q53 s ILE 103 CO 0.02 -0.35 -0.24 -0.62 -1.23 0.00 0.00 174.94 172.52 1q53 s ASP 104 N -1.15 3.12 -0.24 3.58 -1.08 -1.26 0.78 116.67 120.43 1q53 s ASP 104 Ca -0.12 -0.50 0.01 0.00 -0.52 0.00 0.00 52.55 51.41 1q53 s ASP 104 Cb -0.07 -0.88 0.04 0.00 -1.46 0.00 0.00 42.92 40.54 1q53 s ASP 104 CO 0.01 0.24 -0.11 -0.47 0.52 0.00 0.00 175.17 175.36 1q53 s TYR 105 N -0.15 3.08 0.08 -5.34 6.14 -0.34 -4.79 117.35 116.04 1q53 s TYR 105 Ca -0.04 -1.88 0.06 0.00 0.64 0.00 0.00 57.07 55.84 1q53 s TYR 105 Cb -0.14 -1.98 -0.04 0.00 0.42 0.00 0.00 41.96 40.22 1q53 s TYR 105 CO 0.04 -0.81 -0.06 0.15 0.64 0.00 0.00 175.55 175.51 1q53 s LYS 106 N 1.23 2.36 -0.66 4.97 1.02 -1.26 -2.68 119.74 124.72 1q53 s LYS 106 Ca -0.02 -0.90 -0.27 0.00 0.02 0.00 0.00 55.97 54.80 1q53 s LYS 106 Cb -0.17 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1q53 s LYS 106 CO -0.07 0.54 1.56 -1.25 -0.92 0.00 0.00 175.35 175.21 1q53 s PRO 107 N -2.10 2.95 -0.48 -1.68 0.04 -1.26 -4.85 135.00 127.62 1q53 s PRO 107 Ca 0.22 0.21 0.08 0.00 0.04 0.00 0.00 61.00 61.56 1q53 s PRO 107 Cb -0.11 -4.27 0.35 0.00 0.04 0.00 0.00 34.50 30.50 1q53 s PRO 107 CO 0.14 -2.39 0.85 2.41 0.04 0.00 0.00 177.00 178.05 1q53 n THR 108 N 6.80 1.53 -2.24 1.26 -1.04 -1.26 -5.09 114.28 114.23 1q53 n THR 108 Ca 0.12 -5.10 -0.29 0.00 -2.04 0.00 0.00 64.05 56.74 1q53 n THR 108 Cb 0.50 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 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 -2.98 6.24 0.08 8.00 0.01 -1.26 -5.06 113.70 118.72 1q53 s SER 109 Ca 0.45 1.18 -0.12 0.00 1.31 0.00 0.00 55.95 58.76 1q53 s SER 109 Cb 0.31 -2.36 -0.06 0.00 0.21 0.00 0.00 66.02 64.13 1q53 s SER 109 CO -0.11 -0.73 0.44 0.68 0.41 0.00 0.00 173.24 173.92 1q53 s VAL 110 N -2.97 5.03 0.18 3.43 -7.23 -1.26 -5.05 120.40 112.53 1q53 s VAL 110 Ca 0.51 0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 61.00 1q53 s VAL 110 Cb -0.11 -3.68 -0.08 0.00 0.56 0.00 0.00 36.38 33.07 1q53 s VAL 110 CO 0.50 0.34 1.26 -0.94 -0.31 0.00 0.00 175.10 175.94 1q53 s SER 111 N -1.62 6.98 0.00 4.85 1.04 -1.26 -5.34 113.70 118.35 1q53 s SER 111 Ca 0.32 2.30 0.30 0.00 0.48 0.00 0.00 55.95 59.36 1q53 s SER 111 Cb -0.15 -2.60 1.55 0.00 0.10 0.00 0.00 66.02 64.92 1q53 s SER 111 CO 0.17 -0.47 2.03 0.18 0.98 0.00 0.00 173.24 176.13