#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 -0.03 0.42 1.61 0.15 -1.26 -5.14 113.70 109.45 1q53 s SER 2 Ca 0.00 -0.06 -0.22 0.00 0.70 0.00 0.00 55.95 56.37 1q53 s SER 2 Cb 0.00 0.08 -0.14 0.00 -1.71 0.00 0.00 66.02 64.25 1q53 s SER 2 CO 0.00 -0.14 0.32 0.00 1.20 0.00 0.00 173.24 174.62 1q53 n HIS 3 N -0.49 -1.29 -3.61 3.44 -0.00 -1.26 -4.97 115.22 107.03 1q53 n HIS 3 Ca -0.09 0.61 -0.03 0.00 -0.00 0.00 0.00 57.72 58.21 1q53 n HIS 3 Cb 0.63 -1.88 -0.02 0.00 -0.00 0.00 0.00 29.99 28.72 1q53 n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1q53 s MET 4 N -1.31 0.21 0.20 -1.40 1.00 -1.26 -5.14 119.30 111.59 1q53 s MET 4 Ca 0.62 -0.08 -0.32 0.00 0.00 0.00 0.00 55.69 55.90 1q53 s MET 4 Cb -0.62 0.09 -0.15 0.00 0.00 0.00 0.00 34.83 34.16 1q53 s MET 4 CO 0.60 -0.09 1.26 -0.85 0.00 0.00 0.00 175.02 175.94 1q53 n GLU 5 N -0.11 1.50 -2.86 2.03 0.00 -1.26 -4.89 120.64 115.04 1q53 n GLU 5 Ca 0.01 0.53 -0.42 0.00 0.00 0.00 0.00 57.16 57.28 1q53 n GLU 5 Cb 0.58 -2.09 -0.04 0.00 0.00 0.00 0.00 31.44 29.88 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 -0.36 3.87 0.00 3.44 -1.05 -1.26 -5.04 118.70 118.31 1q53 s GLU 6 Ca 0.71 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 56.10 1q53 s GLU 6 Cb -0.78 -3.78 0.00 0.00 -0.44 0.00 0.00 34.13 29.14 1q53 s GLU 6 CO 0.51 -0.85 0.00 0.00 0.95 0.00 0.00 175.26 175.87 1q53 n ALA 7 N 6.54 0.00 -1.02 -0.84 0.00 -1.26 -4.85 120.51 119.09 1q53 n ALA 7 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 1q53 n ALA 7 Cb 0.48 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.22 2.21 -4.36 0.00 4.76 -1.26 -4.92 118.16 113.37 1q53 n LYS 8 Ca 0.00 -2.65 -0.20 0.00 -2.87 0.00 0.00 58.31 52.58 1q53 n LYS 8 Cb 0.00 -2.04 -0.09 0.00 -1.84 0.00 0.00 35.03 31.06 1q53 n LYS 8 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1q53 s GLY 9 N -1.07 2.22 1.10 0.72 0.00 -1.26 -4.63 107.32 104.40 1q53 s GLY 9 Ca 0.51 -1.71 -0.18 0.00 0.00 0.00 0.00 44.72 43.34 1q53 s GLY 9 CO 0.05 -1.61 1.23 2.56 0.00 0.00 0.00 173.10 175.33 1q53 s PRO 10 N -3.73 -0.48 -0.09 2.90 0.04 -1.26 -5.09 135.00 127.29 1q53 s PRO 10 Ca 0.34 -0.31 -0.07 0.00 0.04 0.00 0.00 61.00 60.99 1q53 s PRO 10 Cb 0.04 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1q53 s PRO 10 CO 0.19 -3.17 0.18 0.08 0.04 0.00 0.00 177.00 174.31 1q53 s VAL 11 N -3.48 5.44 -0.42 -0.36 1.01 -1.26 -4.99 120.40 116.33 1q53 s VAL 11 Ca 0.74 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.85 1q53 s VAL 11 Cb -0.06 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.93 1q53 s VAL 11 CO 0.55 0.58 0.28 -0.54 0.00 0.00 0.00 175.10 175.96 1q53 s LYS 12 N -1.15 2.74 0.10 2.72 -0.14 -1.16 -4.45 119.74 118.40 1q53 s LYS 12 Ca 0.18 -1.35 -0.24 0.00 -1.36 0.00 0.00 55.97 53.19 1q53 s LYS 12 Cb -0.13 -3.86 -0.07 0.00 -1.68 0.00 0.00 37.83 32.10 1q53 s LYS 12 CO 0.07 -0.92 0.75 -1.58 -0.76 0.00 0.00 175.35 172.91 1q53 s HIS 13 N 1.51 3.82 -0.15 3.18 5.65 -1.26 -0.36 115.29 127.68 1q53 s HIS 13 Ca 0.03 1.52 -0.01 0.00 0.25 0.00 0.00 55.06 56.85 1q53 s HIS 13 Cb -0.22 -2.76 -0.01 0.00 -1.18 0.00 0.00 32.58 28.40 1q53 s HIS 13 CO 0.04 0.42 -0.11 0.08 -0.65 0.00 0.00 174.74 174.51 1q53 s VAL 14 N -0.65 3.10 -0.02 0.89 1.01 0.49 -4.06 120.40 121.16 1q53 s VAL 14 Ca 0.36 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1q53 s VAL 14 Cb -0.22 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1q53 s VAL 14 CO 0.24 0.51 -0.06 -0.22 0.00 0.00 0.00 175.10 175.57 1q53 s LEU 15 N 0.57 1.67 -0.09 3.92 0.20 -0.62 0.14 118.68 124.47 1q53 s LEU 15 Ca -0.07 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 54.65 1q53 s LEU 15 Cb -0.15 -0.40 0.01 0.00 -0.43 0.00 0.00 46.19 45.21 1q53 s LEU 15 CO 0.03 0.01 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.15 1q53 s LEU 16 N 0.38 1.92 0.01 -0.68 1.02 -1.10 0.20 118.68 120.43 1q53 s LEU 16 Ca -0.05 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 53.68 1q53 s LEU 16 Cb -0.09 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 44.91 1q53 s LEU 16 CO 0.00 0.10 -0.13 0.00 0.02 0.00 0.00 176.35 176.34 1q53 s ALA 17 N 0.55 1.11 -0.02 4.21 0.00 -1.23 -2.53 121.76 123.85 1q53 s ALA 17 Ca -0.15 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.17 1q53 s ALA 17 Cb -0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1q53 s ALA 17 CO 0.05 0.24 -0.17 -1.12 0.00 0.00 0.00 175.76 174.76 1q53 s SER 18 N -0.73 2.03 -0.35 0.00 0.01 -0.60 -4.10 113.70 109.96 1q53 s SER 18 Ca 0.03 -0.32 -0.20 0.00 1.31 0.00 0.00 55.95 56.78 1q53 s SER 18 Cb -0.06 -0.30 -0.00 0.00 0.21 0.00 0.00 66.02 65.87 1q53 s SER 18 CO 0.00 0.20 0.60 -0.36 0.41 0.00 0.00 173.24 174.10 1q53 s PHE 19 N -0.30 3.16 1.01 2.43 0.08 -1.26 -1.30 117.98 121.80 1q53 s PHE 19 Ca 0.04 0.33 -0.13 0.00 0.12 0.00 0.00 56.93 57.30 1q53 s PHE 19 Cb -0.08 -3.07 0.14 0.00 -0.57 0.00 0.00 43.02 39.44 1q53 s PHE 19 CO -0.00 -0.59 0.73 0.36 -0.10 0.00 0.00 175.22 175.62 1q53 n LYS 20 N 5.95 -0.99 -2.75 0.44 2.85 -1.26 -4.85 118.16 117.56 1q53 n LYS 20 Ca -0.02 -0.24 -0.40 0.00 -1.05 0.00 0.00 58.31 56.60 1q53 n LYS 20 Cb 0.49 -2.08 -0.06 0.00 -0.65 0.00 0.00 35.03 32.73 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 -2.29 7.64 0.00 -5.58 -4.77 -1.26 -3.62 116.67 106.80 1q53 s ASP 21 Ca 0.63 1.94 0.00 0.00 -3.30 0.00 0.00 52.55 51.82 1q53 s ASP 21 Cb -0.21 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.01 1q53 s ASP 21 CO 0.64 0.15 0.00 0.61 0.70 0.00 0.00 175.17 177.26 1q53 n GLY 22 N 1.52 0.66 3.71 2.12 0.00 -1.26 -5.08 105.19 106.86 1q53 n GLY 22 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 5.06 0.57 1.61 1.01 -1.24 -5.02 120.40 120.38 1q53 s VAL 23 Ca 0.00 1.39 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 1q53 s VAL 23 Cb 0.00 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1q53 s VAL 23 CO 0.00 0.25 0.90 -1.20 0.00 0.00 0.00 175.10 175.05 1q53 n SER 24 N 3.87 0.57 0.03 3.32 7.64 -1.26 -4.91 113.62 122.88 1q53 n SER 24 Ca -0.02 0.83 -0.17 0.00 1.01 0.00 0.00 58.87 60.53 1q53 n SER 24 Cb 0.51 -1.35 -0.07 0.00 -1.01 0.00 0.00 64.21 62.30 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 0.63 0.62 -0.21 1.43 0.13 -2.00 -3.08 132.00 129.52 1q53 h PRO 25 Ca -0.47 -0.61 -0.05 0.00 -0.87 0.00 0.00 66.00 63.99 1q53 h PRO 25 Cb 1.36 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.64 1q53 h PRO 25 CO 0.51 1.22 -0.11 1.05 -0.23 0.00 0.00 178.00 180.44 1q53 h GLU 26 N 0.38 0.33 -0.34 0.86 4.11 -2.00 -1.83 114.58 116.09 1q53 h GLU 26 Ca -0.09 -0.08 -0.08 0.00 0.07 0.00 0.00 59.36 59.19 1q53 h GLU 26 Cb 1.56 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1q53 h GLU 26 CO 0.18 0.45 -0.11 -0.22 0.07 0.00 0.00 179.01 179.37 1q53 h LYS 27 N 0.32 0.59 -0.17 1.06 3.64 -1.92 0.40 116.57 120.48 1q53 h LYS 27 Ca 0.06 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1q53 h LYS 27 Cb 0.39 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1q53 h LYS 27 CO 0.02 0.69 0.10 0.82 -2.27 0.00 0.00 179.45 178.81 1q53 h ILE 28 N 0.54 1.08 -0.46 2.00 2.04 -1.25 -0.46 117.51 121.00 1q53 h ILE 28 Ca 0.10 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 1q53 h ILE 28 Cb 0.52 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1q53 h ILE 28 CO 0.03 0.07 0.06 -0.33 0.00 0.00 0.00 178.15 177.98 1q53 h GLU 29 N 0.19 0.77 -0.90 2.37 3.07 -1.24 0.49 114.58 119.34 1q53 h GLU 29 Ca 0.06 -0.22 0.11 0.00 -0.50 0.00 0.00 59.36 58.81 1q53 h GLU 29 Cb 0.03 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 27.79 1q53 h GLU 29 CO -0.01 0.80 0.58 0.93 -1.40 0.00 0.00 179.01 179.91 1q53 h GLU 30 N 0.63 0.84 0.04 2.33 5.08 -0.62 1.40 114.58 124.28 1q53 h GLU 30 Ca 0.14 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1q53 h GLU 30 Cb 0.42 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1q53 h GLU 30 CO 0.01 0.56 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.49 1q53 h LEU 31 N 0.87 -0.04 0.11 1.33 3.38 -0.73 0.18 115.31 120.41 1q53 h LEU 31 Ca 0.43 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1q53 h LEU 31 Cb 0.46 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1q53 h LEU 31 CO -0.19 0.63 -0.18 0.40 0.09 0.00 0.00 178.44 179.19 1q53 h ILE 32 N -0.76 0.59 -0.08 1.22 2.04 -0.28 1.06 117.51 121.30 1q53 h ILE 32 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1q53 h ILE 32 Cb 0.66 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1q53 h ILE 32 CO 0.01 0.00 -0.14 0.07 0.00 0.00 0.00 178.15 178.09 1q53 h LYS 33 N -0.36 0.12 -0.03 2.37 2.10 0.18 -2.74 116.57 118.22 1q53 h LYS 33 Ca 0.02 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1q53 h LYS 33 Cb 0.37 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1q53 h LYS 33 CO -0.09 0.26 -0.03 0.78 -2.00 0.00 0.00 179.45 178.37 1q53 h GLY 34 N 0.61 0.07 -0.62 0.07 0.00 0.75 -2.97 103.07 100.98 1q53 h GLY 34 Ca 0.02 -0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.39 1q53 h GLY 34 CO 0.02 0.06 -0.41 -0.97 0.00 0.00 0.00 176.54 175.24 1q53 h TYR 35 N -0.42 -1.20 -0.56 5.60 -1.99 0.14 1.31 116.97 119.86 1q53 h TYR 35 Ca 0.00 0.09 0.10 0.00 2.00 0.00 0.00 58.73 60.92 1q53 h TYR 35 Cb 0.53 0.62 -0.03 0.00 2.00 0.00 0.00 36.73 39.85 1q53 h TYR 35 CO 0.10 -0.41 0.38 0.00 -0.00 0.00 0.00 178.16 178.23 1q53 h ALA 36 N 0.86 2.05 -0.06 3.88 0.00 -1.59 0.37 119.26 124.76 1q53 h ALA 36 Ca 0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1q53 h ALA 36 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1q53 h ALA 36 CO -0.77 -0.17 -0.57 -0.97 0.00 0.00 0.00 179.25 176.77 1q53 h ASN 37 N 0.36 0.21 0.24 0.00 -1.24 0.15 -2.72 115.58 112.58 1q53 h ASN 37 Ca 0.26 -0.12 -0.13 0.00 0.71 0.00 0.00 56.30 57.02 1q53 h ASN 37 Cb 0.54 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 1q53 h ASN 37 CO -0.06 0.74 -0.49 0.25 -1.29 0.00 0.00 177.43 176.58 1q53 h LEU 38 N 0.14 0.32 -1.28 0.34 5.85 0.42 -2.52 115.31 118.58 1q53 h LEU 38 Ca -0.00 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1q53 h LEU 38 Cb 1.05 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1q53 h LEU 38 CO 0.09 0.76 -0.26 0.58 -0.34 0.00 0.00 178.44 179.27 1q53 h VAL 39 N 0.24 1.22 0.00 1.05 2.07 -0.78 0.35 116.25 120.39 1q53 h VAL 39 Ca 0.01 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 1q53 h VAL 39 Cb 0.95 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1q53 h VAL 39 CO 0.08 0.31 -0.29 -1.13 0.02 0.00 0.00 177.57 176.57 1q53 h ASN 40 N 0.15 0.00 0.00 0.57 -0.00 -1.20 -3.29 115.58 111.81 1q53 h ASN 40 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 1q53 h ASN 40 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.86 1q53 h ASN 40 CO 0.04 0.29 -0.26 -0.07 -0.00 0.00 0.00 177.43 177.42 1q53 h LEU 41 N 0.00 0.00 -8.44 0.34 3.38 -1.07 -3.45 115.31 106.07 1q53 h LEU 41 Ca -0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 1q53 h LEU 41 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1q53 h LEU 41 CO 0.04 0.50 1.25 -0.38 0.09 0.00 0.00 178.44 179.93 1q53 n ILE 42 N -4.00 0.11 0.00 1.22 2.08 0.11 -4.82 119.36 114.06 1q53 n ILE 42 Ca -0.04 -0.10 -0.13 0.00 0.56 0.00 0.00 62.75 63.05 1q53 n ILE 42 Cb 0.13 -1.01 -0.10 0.00 -0.75 0.00 0.00 39.64 37.92 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1q53 h GLU 43 N 9.64 -0.06 -4.67 0.38 4.81 -1.88 -3.36 114.58 119.44 1q53 h GLU 43 Ca -0.24 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.36 1q53 h GLU 43 Cb 1.37 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1q53 h GLU 43 CO 1.04 0.46 2.39 -0.35 -0.73 0.00 0.00 179.01 181.82 1q53 n PRO 44 N -4.86 2.22 -3.15 0.92 -0.04 -1.26 -4.68 135.00 124.16 1q53 n PRO 44 Ca -0.09 -2.40 0.04 0.00 -0.04 0.00 0.00 63.50 61.01 1q53 n PRO 44 Cb 0.28 -3.25 -0.00 0.00 -0.04 0.00 0.00 33.50 30.49 1q53 n PRO 44 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1q53 s MET 45 N 4.50 0.45 0.04 0.54 1.75 -1.26 -4.84 119.30 120.48 1q53 s MET 45 Ca 0.55 0.45 -0.12 0.00 -1.25 0.00 0.00 55.69 55.32 1q53 s MET 45 Cb 0.11 0.20 -0.04 0.00 2.84 0.00 0.00 34.83 37.93 1q53 s MET 45 CO 0.05 -0.85 1.20 0.87 -0.65 0.00 0.00 175.02 175.63 1q53 h LYS 46 N 7.81 -0.18 -2.04 4.11 6.56 -1.83 -3.45 116.57 127.54 1q53 h LYS 46 Ca -0.03 0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.51 1q53 h LYS 46 Cb 1.19 0.04 -0.19 0.00 -0.57 0.00 0.00 32.23 32.70 1q53 h LYS 46 CO 0.09 -0.12 0.20 0.00 -2.06 0.00 0.00 179.45 177.55 1q53 s ALA 47 N -4.35 -1.76 -0.29 3.86 0.00 -1.26 -5.08 121.76 112.87 1q53 s ALA 47 Ca -0.05 1.28 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 1q53 s ALA 47 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1q53 s ALA 47 CO 0.22 -0.39 0.13 0.12 0.00 0.00 0.00 175.76 175.83 1q53 s PHE 48 N -1.32 3.15 -0.15 0.00 5.36 -1.26 -3.03 117.98 120.73 1q53 s PHE 48 Ca -0.10 -0.49 -0.04 0.00 -0.96 0.00 0.00 56.93 55.34 1q53 s PHE 48 Cb -0.00 -2.32 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1q53 s PHE 48 CO 0.09 -0.41 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.39 1q53 s HIS 49 N 1.62 3.02 0.24 10.12 3.76 -1.00 -5.07 115.29 127.99 1q53 s HIS 49 Ca 0.05 -0.31 -0.08 0.00 -0.15 0.00 0.00 55.06 54.58 1q53 s HIS 49 Cb -0.16 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.56 1q53 s HIS 49 CO 0.06 -0.04 0.36 1.67 -0.85 0.00 0.00 174.74 175.93 1q53 s TRP 50 N 0.36 0.71 0.02 1.40 1.48 -1.26 -1.84 118.94 119.81 1q53 s TRP 50 Ca -0.04 -1.01 -0.28 0.00 -1.06 0.00 0.00 56.10 53.70 1q53 s TRP 50 Cb -0.14 -0.10 0.10 0.00 -1.16 0.00 0.00 33.47 32.17 1q53 s TRP 50 CO 0.03 -0.89 1.23 0.20 -4.06 0.00 0.00 176.95 173.46 1q53 s GLY 51 N -3.09 -0.22 0.12 3.67 0.00 -1.25 -5.04 107.32 101.51 1q53 s GLY 51 Ca 0.29 0.26 0.07 0.00 0.00 0.00 0.00 44.72 45.34 1q53 s GLY 51 CO 0.11 2.56 -0.06 -1.59 0.00 0.00 0.00 173.10 174.13 1q53 s LYS 52 N -2.28 2.27 0.16 2.90 -2.85 -1.26 -4.15 119.74 114.52 1q53 s LYS 52 Ca 0.21 -1.03 -0.28 0.00 -1.00 0.00 0.00 55.97 53.87 1q53 s LYS 52 Cb 0.01 -2.35 -0.07 0.00 -2.06 0.00 0.00 37.83 33.36 1q53 s LYS 52 CO -0.01 0.50 0.88 -0.51 0.10 0.00 0.00 175.35 176.31 1q53 s ASP 53 N -2.46 7.48 -0.30 0.03 1.01 -1.21 -5.01 116.67 116.22 1q53 s ASP 53 Ca 0.24 1.76 -0.10 0.00 0.71 0.00 0.00 52.55 55.15 1q53 s ASP 53 Cb -0.11 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 1q53 s ASP 53 CO 0.16 0.09 0.17 0.68 0.21 0.00 0.00 175.17 176.48 1q53 s VAL 54 N -0.68 4.94 0.00 -1.27 -7.23 -1.26 -5.01 120.40 109.90 1q53 s VAL 54 Ca 0.41 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1q53 s VAL 54 Cb -0.24 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.26 1q53 s VAL 54 CO 0.29 0.15 0.00 -1.20 -0.31 0.00 0.00 175.10 174.03 1q53 n SER 55 N 5.03 0.00 -0.32 4.85 7.64 -1.26 -5.03 113.62 124.53 1q53 n SER 55 Ca -0.14 -0.65 0.04 0.00 1.01 0.00 0.00 58.87 59.14 1q53 n SER 55 Cb 0.51 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.81 1q53 n SER 55 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1q53 n ILE 56 N 0.00 1.30 -1.25 0.44 -0.00 -1.26 -5.10 119.36 113.49 1q53 n ILE 56 Ca 0.00 -1.31 0.17 0.00 -0.00 0.00 0.00 62.75 61.60 1q53 n ILE 56 Cb 0.00 0.29 -0.05 0.00 -0.00 0.00 0.00 39.64 39.88 1q53 n ILE 56 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1q53 n GLU 57 N -0.34 -2.62 0.00 0.38 1.02 -1.26 -4.77 120.64 113.05 1q53 n GLU 57 Ca 0.09 1.84 0.00 0.00 -0.02 0.00 0.00 57.16 59.06 1q53 n GLU 57 Cb 0.45 -3.16 0.00 0.00 -0.02 0.00 0.00 31.44 28.71 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 -3.94 0.00 0.20 1.62 2.85 -1.26 -4.35 115.26 110.38 1q53 n ASN 58 Ca -0.01 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.31 1q53 n ASN 58 Cb 0.58 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.52 1q53 n ASN 58 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1q53 h LEU 59 N 0.00 -0.38 -9.38 1.20 3.38 -2.03 -3.44 115.31 104.67 1q53 h LEU 59 Ca 0.00 -0.02 -0.59 0.00 0.09 0.00 0.00 57.88 57.36 1q53 h LEU 59 Cb 0.00 0.10 0.17 0.00 0.09 0.00 0.00 40.66 41.02 1q53 h LEU 59 CO 0.00 -0.23 -0.56 0.00 0.09 0.00 0.00 178.44 177.74 1q53 n HIS 60 N -5.26 -1.16 1.57 1.13 1.44 -1.26 -4.81 115.22 106.87 1q53 n HIS 60 Ca -0.10 0.46 0.14 0.00 -2.01 0.00 0.00 57.72 56.20 1q53 n HIS 60 Cb 0.21 -1.90 0.78 0.00 0.12 0.00 0.00 29.99 29.20 1q53 n HIS 60 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1q53 n GLN 61 N 0.35 0.69 -0.85 -1.40 3.00 -1.26 -4.83 117.38 113.08 1q53 n GLN 61 Ca 0.11 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1q53 n GLN 61 Cb 0.47 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.21 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 0.86 1.14 0.18 1.08 0.00 -1.26 -4.99 105.19 102.20 1q53 n GLY 62 Ca 0.18 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.98 1q53 n GLY 62 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1q53 h TYR 63 N 0.00 0.00 0.00 1.61 0.05 -1.92 -3.44 116.97 113.27 1q53 h TYR 63 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1q53 h TYR 63 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1q53 h TYR 63 CO 0.00 0.38 0.00 2.41 -1.05 0.00 0.00 178.16 179.90 1q53 n THR 64 N -3.41 0.00 -2.42 -2.88 -1.04 -1.26 -4.15 114.28 99.11 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 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 -3.90 -1.42 -0.00 -1.26 -3.34 115.22 105.31 1q53 n HIS 65 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 1q53 n HIS 65 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 29.88 1q53 n HIS 65 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 1q53 s ILE 66 N -2.80 0.07 -0.06 0.61 -5.25 -1.26 -3.51 121.20 109.01 1q53 s ILE 66 Ca 0.00 -0.59 0.05 0.00 -0.99 0.00 0.00 60.65 59.12 1q53 s ILE 66 Cb 0.00 -0.31 -0.01 0.00 2.95 0.00 0.00 42.46 45.09 1q53 s ILE 66 CO 0.00 -0.33 -0.22 -0.36 -1.79 0.00 0.00 174.94 172.25 1q53 s PHE 67 N -1.07 2.16 -0.05 1.37 0.40 0.54 -3.90 117.98 117.43 1q53 s PHE 67 Ca -0.12 -0.67 0.05 0.00 -0.60 0.00 0.00 56.93 55.59 1q53 s PHE 67 Cb -0.07 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 1q53 s PHE 67 CO 0.00 -0.23 -0.21 -2.00 0.70 0.00 0.00 175.22 173.49 1q53 s GLU 68 N 0.00 2.16 -0.10 0.44 -6.30 -0.77 -1.58 118.70 112.55 1q53 s GLU 68 Ca -0.06 -0.74 0.02 0.00 -2.50 0.00 0.00 54.97 51.70 1q53 s GLU 68 Cb -0.14 -1.83 -0.01 0.00 0.00 0.00 0.00 34.13 32.15 1q53 s GLU 68 CO 0.04 0.29 -0.17 0.45 0.02 0.00 0.00 175.26 175.88 1q53 s SER 69 N -0.00 3.70 -0.11 -1.70 0.15 -1.26 -2.37 113.70 112.11 1q53 s SER 69 Ca -0.05 -0.37 -0.28 0.00 0.70 0.00 0.00 55.95 55.95 1q53 s SER 69 Cb -0.13 -1.29 -0.02 0.00 -1.71 0.00 0.00 66.02 62.87 1q53 s SER 69 CO 0.03 0.21 0.93 -0.89 1.20 0.00 0.00 173.24 174.73 1q53 s THR 70 N 0.04 4.84 0.35 6.45 2.01 -1.17 -4.36 115.64 123.81 1q53 s THR 70 Ca -0.07 1.89 0.05 0.00 0.31 0.00 0.00 61.69 63.88 1q53 s THR 70 Cb -0.15 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 68.05 1q53 s THR 70 CO 0.05 0.05 0.03 -0.36 -0.69 0.00 0.00 174.62 173.70 1q53 s PHE 71 N 1.82 2.19 -0.49 4.92 0.08 -1.26 -3.90 117.98 121.34 1q53 s PHE 71 Ca 0.45 -0.82 0.17 0.00 0.12 0.00 0.00 56.93 56.85 1q53 s PHE 71 Cb -0.18 -1.46 -0.21 0.00 -0.57 0.00 0.00 43.02 40.59 1q53 s PHE 71 CO 0.18 0.21 0.58 -0.85 -0.10 0.00 0.00 175.22 175.24 1q53 n GLU 72 N -0.79 1.16 -3.19 0.44 0.28 -1.26 -4.59 120.64 112.70 1q53 n GLU 72 Ca -0.04 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1q53 n GLU 72 Cb 0.66 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 32.21 1q53 n GLU 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1q53 n SER 73 N -1.66 0.00 -0.02 -1.84 2.88 -1.26 -4.96 113.62 106.76 1q53 n SER 73 Ca 0.01 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.52 1q53 n SER 73 Cb 0.33 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.67 1q53 n SER 73 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1q53 n LYS 74 N 0.00 0.65 0.12 -1.46 2.85 -1.26 -3.44 118.16 115.61 1q53 n LYS 74 Ca 0.00 0.12 -0.03 0.00 -1.05 0.00 0.00 58.31 57.35 1q53 n LYS 74 Cb 0.00 -1.69 0.15 0.00 -0.65 0.00 0.00 35.03 32.84 1q53 n LYS 74 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1q53 h GLU 75 N 0.00 0.08 0.00 -1.58 5.08 -2.00 -2.34 114.58 113.83 1q53 h GLU 75 Ca -0.26 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1q53 h GLU 75 Cb 1.75 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1q53 h GLU 75 CO 0.04 0.67 -0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1q53 h ALA 76 N 1.31 -0.01 -0.32 3.43 0.00 -1.94 -3.10 119.26 118.64 1q53 h ALA 76 Ca -0.01 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.64 1q53 h ALA 76 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1q53 h ALA 76 CO 0.09 -0.14 0.28 -0.24 0.00 0.00 0.00 179.25 179.23 1q53 h VAL 77 N -0.73 0.62 -0.84 0.00 3.04 -1.58 0.26 116.25 117.03 1q53 h VAL 77 Ca -0.00 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 1q53 h VAL 77 Cb 0.71 0.79 -0.05 0.00 -2.01 0.00 0.00 31.29 30.74 1q53 h VAL 77 CO 0.00 0.00 0.56 0.00 -1.01 0.00 0.00 177.57 177.12 1q53 h ALA 78 N 1.75 1.45 -0.02 3.17 0.00 -1.33 0.47 119.26 124.74 1q53 h ALA 78 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1q53 h ALA 78 Cb 0.70 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1q53 h ALA 78 CO -0.00 0.48 -0.16 0.93 0.00 0.00 0.00 179.25 180.51 1q53 h GLU 79 N 1.08 0.15 -0.64 0.00 5.08 -0.54 -2.51 114.58 117.20 1q53 h GLU 79 Ca 0.33 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1q53 h GLU 79 Cb -0.03 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1q53 h GLU 79 CO -0.09 0.81 0.42 -0.92 -1.00 0.00 0.00 179.01 178.23 1q53 h TYR 80 N -0.47 0.76 0.00 4.33 3.20 -1.01 0.18 116.97 123.96 1q53 h TYR 80 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1q53 h TYR 80 Cb 0.84 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1q53 h TYR 80 CO 0.16 0.45 0.00 0.82 -1.64 0.00 0.00 178.16 177.95 1q53 h ILE 81 N 0.80 0.00 -0.84 1.81 2.04 -0.09 -2.67 117.51 118.56 1q53 h ILE 81 Ca 0.25 -0.57 -0.44 0.00 1.00 0.00 0.00 64.86 65.10 1q53 h ILE 81 Cb 0.02 1.51 -0.26 0.00 -0.74 0.00 0.00 36.82 37.35 1q53 h ILE 81 CO -0.06 0.00 0.47 0.00 0.00 0.00 0.00 178.15 178.56 1q53 n ALA 82 N -1.97 5.32 -2.81 1.87 0.00 0.61 -4.91 120.51 118.62 1q53 n ALA 82 Ca 0.03 -2.99 -0.36 0.00 0.00 0.00 0.00 53.44 50.11 1q53 n ALA 82 Cb 0.37 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.31 3.44 0.18 0.00 5.04 -1.01 -4.99 115.29 114.65 1q53 s HIS 83 Ca 0.54 0.38 0.03 0.00 -1.54 0.00 0.00 55.06 54.47 1q53 s HIS 83 Cb 0.46 -1.95 0.05 0.00 0.04 0.00 0.00 32.58 31.18 1q53 s HIS 83 CO 0.08 0.56 1.42 -1.00 -2.34 0.00 0.00 174.74 173.45 1q53 h PRO 84 N 5.44 0.21 -0.59 2.88 0.13 -1.92 -1.42 132.00 136.74 1q53 h PRO 84 Ca -0.50 -0.21 0.03 0.00 -0.87 0.00 0.00 66.00 64.45 1q53 h PRO 84 Cb 1.20 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1q53 h PRO 84 CO 0.61 0.91 0.35 0.00 -0.23 0.00 0.00 178.00 179.64 1q53 h ALA 85 N 1.02 0.76 -0.09 -0.56 0.00 -1.95 0.58 119.26 119.01 1q53 h ALA 85 Ca -0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1q53 h ALA 85 Cb 1.41 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1q53 h ALA 85 CO 0.12 0.08 -0.49 1.25 0.00 0.00 0.00 179.25 180.21 1q53 h HIS 86 N 0.70 0.67 -0.94 0.00 -0.00 -1.87 -3.15 115.15 110.56 1q53 h HIS 86 Ca 0.24 -0.30 0.08 0.00 -0.00 0.00 0.00 60.37 60.39 1q53 h HIS 86 Cb 0.03 -0.10 -0.07 0.00 -0.00 0.00 0.00 27.41 27.27 1q53 h HIS 86 CO -0.06 1.08 0.59 0.28 -0.00 0.00 0.00 177.93 179.82 1q53 h VAL 87 N 0.07 1.00 -0.54 5.26 2.07 -0.83 -0.95 116.25 122.34 1q53 h VAL 87 Ca -0.04 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.23 1q53 h VAL 87 Cb 1.14 -0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1q53 h VAL 87 CO 0.10 0.19 0.12 -0.08 0.02 0.00 0.00 177.57 177.92 1q53 h GLU 88 N 1.02 0.25 0.02 1.57 4.81 0.19 0.36 114.58 122.80 1q53 h GLU 88 Ca 0.43 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1q53 h GLU 88 Cb 0.29 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1q53 h GLU 88 CO -0.21 0.17 -0.01 0.74 -0.73 0.00 0.00 179.01 178.97 1q53 h PHE 89 N 0.26 -0.03 -0.42 0.92 -1.00 -1.18 -0.89 116.94 114.60 1q53 h PHE 89 Ca 0.28 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.12 1q53 h PHE 89 Cb 0.38 0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1q53 h PHE 89 CO -0.23 0.10 0.28 0.00 -1.61 0.00 0.00 178.31 176.85 1q53 h ALA 90 N 0.83 2.01 -0.40 2.45 0.00 -0.60 0.36 119.26 123.91 1q53 h ALA 90 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1q53 h ALA 90 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1q53 h ALA 90 CO 0.00 -0.09 -0.24 1.15 0.00 0.00 0.00 179.25 180.08 1q53 h THR 91 N 0.30 1.28 -0.15 0.00 2.02 0.31 0.27 112.91 116.93 1q53 h THR 91 Ca 0.19 -1.39 -0.16 0.00 0.77 0.00 0.00 66.41 65.82 1q53 h THR 91 Cb 0.36 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1q53 h THR 91 CO -0.04 0.47 -0.56 0.40 0.37 0.00 0.00 175.52 176.16 1q53 h ILE 92 N 0.69 1.34 -0.15 3.11 2.04 0.31 -2.97 117.51 121.87 1q53 h ILE 92 Ca 0.09 -1.83 -0.12 0.00 1.00 0.00 0.00 64.86 63.99 1q53 h ILE 92 Cb 0.80 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1q53 h ILE 92 CO 0.07 0.56 -0.43 0.15 0.00 0.00 0.00 178.15 178.50 1q53 h PHE 93 N 0.36 0.42 -0.07 1.37 3.04 -0.21 -2.53 116.94 119.32 1q53 h PHE 93 Ca 0.00 -0.12 0.02 0.00 3.98 0.00 0.00 57.97 61.85 1q53 h PHE 93 Cb 1.09 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.50 1q53 h PHE 93 CO 0.04 0.73 0.06 -0.07 -2.02 0.00 0.00 178.31 177.04 1q53 h LEU 94 N 0.29 0.00 -2.02 0.59 3.38 -0.78 0.70 115.31 117.47 1q53 h LEU 94 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1q53 h LEU 94 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1q53 h LEU 94 CO 0.07 0.00 -0.00 1.23 0.09 0.00 0.00 178.44 179.83 1q53 h GLY 95 N 0.00 0.00 -5.25 0.83 0.00 -1.45 -3.33 103.07 93.86 1q53 h GLY 95 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.10 1q53 h GLY 95 CO -0.00 0.00 -0.60 1.44 0.00 0.00 0.00 176.54 177.38 1q53 n SER 96 N -4.50 -2.61 -4.29 0.19 7.64 0.14 -5.12 113.62 105.06 1q53 n SER 96 Ca -0.03 -2.96 -0.32 0.00 1.01 0.00 0.00 58.87 56.56 1q53 n SER 96 Cb 0.09 1.30 -0.16 0.00 -1.01 0.00 0.00 64.21 64.43 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 0.08 2.41 -0.10 -3.43 0.05 -0.60 -4.40 118.68 112.69 1q53 s LEU 97 Ca 0.31 -0.44 -0.02 0.00 0.05 0.00 0.00 54.13 54.03 1q53 s LEU 97 Cb 0.10 -1.51 -0.01 0.00 -2.05 0.00 0.00 46.19 42.72 1q53 s LEU 97 CO -0.14 0.16 -0.03 -0.78 -0.55 0.00 0.00 176.35 175.01 1q53 h ASP 98 N 6.74 0.00 -4.64 1.48 3.58 -1.52 -3.44 116.42 118.61 1q53 h ASP 98 Ca -0.23 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 1q53 h ASP 98 Cb 1.22 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.07 1q53 h ASP 98 CO 0.52 0.50 -0.05 -1.59 -2.88 0.00 0.00 179.24 175.74 1q53 s LYS 99 N -1.63 0.79 -0.22 0.28 -2.85 -1.21 -4.97 119.74 109.93 1q53 s LYS 99 Ca -0.03 0.28 -0.05 0.00 -1.00 0.00 0.00 55.97 55.18 1q53 s LYS 99 Cb 0.00 0.37 0.11 0.00 -2.06 0.00 0.00 37.83 36.26 1q53 s LYS 99 CO 0.04 -0.20 0.41 0.14 0.10 0.00 0.00 175.35 175.84 1q53 s VAL 100 N -0.74 -0.66 -0.07 1.79 -7.23 -1.26 -1.56 120.40 110.69 1q53 s VAL 100 Ca -0.08 0.06 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 1q53 s VAL 100 Cb -0.03 -0.75 0.01 0.00 0.56 0.00 0.00 36.38 36.17 1q53 s VAL 100 CO 0.05 -0.01 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.93 1q53 s LEU 101 N 2.60 1.71 -0.26 1.32 2.01 -1.05 -5.02 118.68 119.99 1q53 s LEU 101 Ca 0.05 -0.32 -0.11 0.00 0.01 0.00 0.00 54.13 53.77 1q53 s LEU 101 Cb -0.14 -0.88 -0.05 0.00 0.01 0.00 0.00 46.19 45.14 1q53 s LEU 101 CO -0.14 0.05 0.17 0.54 1.01 0.00 0.00 176.35 177.98 1q53 s VAL 102 N 0.58 5.26 0.00 -1.59 0.11 -1.26 -2.71 120.40 120.79 1q53 s VAL 102 Ca -0.14 0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1q53 s VAL 102 Cb -0.15 -3.48 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1q53 s VAL 102 CO 0.04 0.29 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.39 1q53 s ILE 103 N 1.47 0.63 -0.16 7.04 -1.09 0.12 -5.03 121.20 124.19 1q53 s ILE 103 Ca 0.07 -0.48 -0.09 0.00 -2.23 0.00 0.00 60.65 57.91 1q53 s ILE 103 Cb -0.15 -0.56 -0.05 0.00 -1.58 0.00 0.00 42.46 40.12 1q53 s ILE 103 CO 0.08 0.08 0.16 -0.62 -1.23 0.00 0.00 174.94 173.41 1q53 s ASP 104 N -0.45 6.32 -0.19 3.58 2.15 -1.26 0.18 116.67 127.01 1q53 s ASP 104 Ca 0.01 0.37 -0.00 0.00 0.43 0.00 0.00 52.55 53.36 1q53 s ASP 104 Cb -0.04 -2.10 0.01 0.00 -0.30 0.00 0.00 42.92 40.49 1q53 s ASP 104 CO -0.00 0.26 -0.16 -0.47 -0.17 0.00 0.00 175.17 174.63 1q53 s TYR 105 N -0.20 2.82 -0.04 -5.34 5.04 0.51 -4.85 117.35 115.29 1q53 s TYR 105 Ca 0.12 -1.40 0.05 0.00 -2.44 0.00 0.00 57.07 53.40 1q53 s TYR 105 Cb -0.12 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.21 1q53 s TYR 105 CO 0.01 -0.70 -0.20 0.15 -1.34 0.00 0.00 175.55 173.47 1q53 s LYS 106 N 1.27 2.40 -0.76 4.97 -0.14 -1.26 -3.00 119.74 123.23 1q53 s LYS 106 Ca 0.04 -0.81 -0.26 0.00 -1.36 0.00 0.00 55.97 53.58 1q53 s LYS 106 Cb -0.14 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 1q53 s LYS 106 CO -0.09 0.55 1.60 -1.25 -0.76 0.00 0.00 175.35 175.40 1q53 s PRO 107 N -0.56 2.96 -0.71 -1.68 0.04 -1.26 -4.89 135.00 128.90 1q53 s PRO 107 Ca 0.08 -0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.10 1q53 s PRO 107 Cb -0.11 -4.54 0.20 0.00 0.04 0.00 0.00 34.50 30.09 1q53 s PRO 107 CO 0.01 -2.53 0.62 2.41 0.04 0.00 0.00 177.00 177.54 1q53 n THR 108 N 6.95 2.06 -2.91 1.26 -1.04 -1.26 -5.08 114.28 114.26 1q53 n THR 108 Ca 0.18 -5.03 -0.28 0.00 -2.04 0.00 0.00 64.05 56.88 1q53 n THR 108 Cb 0.50 -2.18 -0.02 0.00 -1.82 0.00 0.00 70.33 66.82 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 -1.70 6.39 0.01 8.00 1.04 -1.26 -5.08 113.70 121.11 1q53 s SER 109 Ca 0.30 0.92 -0.10 0.00 0.48 0.00 0.00 55.95 57.55 1q53 s SER 109 Cb 0.02 -2.23 -0.05 0.00 0.10 0.00 0.00 66.02 63.85 1q53 s SER 109 CO -0.11 -0.42 0.32 -0.69 0.98 0.00 0.00 173.24 173.33 1q53 s VAL 110 N -2.45 5.20 0.20 5.02 1.01 -1.26 -5.06 120.40 123.06 1q53 s VAL 110 Ca 0.47 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 1q53 s VAL 110 Cb -0.10 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 1q53 s VAL 110 CO 0.36 0.43 1.23 -0.94 0.00 0.00 0.00 175.10 176.18 1q53 s SER 111 N -1.49 7.03 0.00 3.32 1.04 -1.26 -5.34 113.70 117.00 1q53 s SER 111 Ca 0.27 2.30 0.27 0.00 0.48 0.00 0.00 55.95 59.27 1q53 s SER 111 Cb -0.14 -2.61 1.62 0.00 0.10 0.00 0.00 66.02 64.99 1q53 s SER 111 CO 0.14 -0.41 1.96 0.18 0.98 0.00 0.00 173.24 176.09