#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 7.15 0.44 1.61 0.15 -1.26 -5.05 113.70 116.74 1q53 s SER 2 Ca 0.00 2.28 0.03 0.00 0.70 0.00 0.00 55.95 58.96 1q53 s SER 2 Cb 0.00 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1q53 s SER 2 CO 0.00 -0.23 0.05 -1.00 1.20 0.00 0.00 173.24 173.26 1q53 s HIS 3 N -1.22 1.98 0.82 3.44 0.09 -1.26 -5.15 115.29 113.99 1q53 s HIS 3 Ca 0.47 -0.99 -0.12 0.00 -0.00 0.00 0.00 55.06 54.41 1q53 s HIS 3 Cb -0.31 -1.47 0.09 0.00 -0.00 0.00 0.00 32.58 30.88 1q53 s HIS 3 CO 0.40 0.10 1.19 -1.64 -0.00 0.00 0.00 174.74 174.79 1q53 s MET 4 N -3.80 1.83 1.17 1.40 1.00 -1.26 -5.04 119.30 114.60 1q53 s MET 4 Ca 0.20 0.07 -0.17 0.00 0.00 0.00 0.00 55.69 55.80 1q53 s MET 4 Cb 0.04 -1.94 0.20 0.00 0.00 0.00 0.00 34.83 33.13 1q53 s MET 4 CO 0.11 -1.68 0.42 -1.91 0.00 0.00 0.00 175.02 171.96 1q53 n GLU 5 N -3.37 -2.20 -3.57 2.03 4.07 -1.26 -4.95 120.64 111.39 1q53 n GLU 5 Ca 0.09 -0.62 -0.37 0.00 -0.06 0.00 0.00 57.16 56.19 1q53 n GLU 5 Cb 0.61 -1.87 -0.10 0.00 -0.06 0.00 0.00 31.44 30.02 1q53 n GLU 5 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1q53 s GLU 6 N -3.86 4.04 0.04 5.31 2.02 -1.26 -5.03 118.70 119.96 1q53 s GLU 6 Ca 0.61 -0.19 -0.27 0.00 0.02 0.00 0.00 54.97 55.14 1q53 s GLU 6 Cb -0.17 -3.59 0.10 0.00 0.10 0.00 0.00 34.13 30.57 1q53 s GLU 6 CO 0.65 -0.07 1.21 0.00 0.02 0.00 0.00 175.26 177.06 1q53 s ALA 7 N 1.44 -2.14 -0.03 5.21 0.00 -1.26 -5.06 121.76 119.92 1q53 s ALA 7 Ca 0.10 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 1q53 s ALA 7 Cb -0.15 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1q53 s ALA 7 CO 0.08 -1.09 -0.06 1.63 0.00 0.00 0.00 175.76 176.31 1q53 n LYS 8 N -0.70 0.09 -0.91 0.00 4.01 -1.26 -5.09 118.16 114.31 1q53 n LYS 8 Ca -0.02 0.05 0.12 0.00 -0.51 0.00 0.00 58.31 57.95 1q53 n LYS 8 Cb 0.60 -0.68 -0.03 0.00 -0.51 0.00 0.00 35.03 34.42 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1q53 n GLY 9 N 1.50 -1.18 3.82 0.72 0.00 -1.25 -4.97 105.19 103.83 1q53 n GLY 9 Ca -0.02 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.75 2.70 -0.09 1.61 0.04 -1.26 -5.09 135.00 131.16 1q53 s PRO 10 Ca 0.00 0.86 -0.05 0.00 0.04 0.00 0.00 61.00 61.85 1q53 s PRO 10 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1q53 s PRO 10 CO 0.00 -1.24 0.14 0.54 0.04 0.00 0.00 177.00 176.48 1q53 s VAL 11 N -3.08 5.37 -0.17 -0.36 0.11 -0.29 -4.93 120.40 117.06 1q53 s VAL 11 Ca 0.59 0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 59.62 1q53 s VAL 11 Cb -0.14 -3.38 -0.05 0.00 -1.53 0.00 0.00 36.38 31.29 1q53 s VAL 11 CO 0.55 0.54 0.13 -0.54 -3.33 0.00 0.00 175.10 172.45 1q53 s LYS 12 N -1.25 3.86 -0.08 1.54 1.02 -1.20 -2.57 119.74 121.05 1q53 s LYS 12 Ca 0.18 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.02 1q53 s LYS 12 Cb -0.12 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1q53 s LYS 12 CO 0.08 0.50 -0.21 -1.58 -0.92 0.00 0.00 175.35 173.22 1q53 s HIS 13 N -0.23 2.21 -0.26 3.18 5.65 -1.25 0.14 115.29 124.73 1q53 s HIS 13 Ca 0.11 -0.85 -0.07 0.00 0.25 0.00 0.00 55.06 54.50 1q53 s HIS 13 Cb -0.11 -1.50 -0.02 0.00 -1.18 0.00 0.00 32.58 29.77 1q53 s HIS 13 CO 0.01 -0.35 0.07 0.08 -0.65 0.00 0.00 174.74 173.90 1q53 s VAL 14 N 0.35 4.20 0.05 0.89 1.01 0.34 -3.46 120.40 123.78 1q53 s VAL 14 Ca -0.15 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1q53 s VAL 14 Cb -0.17 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1q53 s VAL 14 CO 0.07 0.26 -0.12 -0.22 0.00 0.00 0.00 175.10 175.09 1q53 s LEU 15 N 1.58 2.21 0.08 3.92 2.96 -0.37 -0.08 118.68 128.98 1q53 s LEU 15 Ca 0.05 -0.50 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1q53 s LEU 15 Cb -0.16 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.03 1q53 s LEU 15 CO 0.03 -0.04 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.63 1q53 s LEU 16 N -1.33 2.27 -0.17 -0.68 2.96 -0.92 0.13 118.68 120.94 1q53 s LEU 16 Ca -0.02 -0.63 -0.19 0.00 -0.22 0.00 0.00 54.13 53.08 1q53 s LEU 16 Cb -0.08 -0.71 0.05 0.00 0.50 0.00 0.00 46.19 45.95 1q53 s LEU 16 CO 0.01 0.00 0.51 0.00 -1.32 0.00 0.00 176.35 175.56 1q53 s ALA 17 N -1.17 -1.27 0.02 5.97 0.00 -1.19 -2.52 121.76 121.61 1q53 s ALA 17 Ca 0.02 1.35 0.06 0.00 0.00 0.00 0.00 51.96 53.39 1q53 s ALA 17 Cb -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1q53 s ALA 17 CO 0.03 -0.25 -0.17 -1.12 0.00 0.00 0.00 175.76 174.24 1q53 s SER 18 N 0.03 2.05 -0.35 0.00 0.01 -0.98 -4.16 113.70 110.30 1q53 s SER 18 Ca -0.02 -0.42 -0.21 0.00 1.31 0.00 0.00 55.95 56.61 1q53 s SER 18 Cb -0.03 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1q53 s SER 18 CO 0.02 0.14 0.66 -0.36 0.41 0.00 0.00 173.24 174.11 1q53 s PHE 19 N -0.65 3.15 1.16 2.43 0.08 -1.26 0.35 117.98 123.24 1q53 s PHE 19 Ca 0.05 0.40 -0.17 0.00 0.12 0.00 0.00 56.93 57.34 1q53 s PHE 19 Cb -0.08 -3.16 0.22 0.00 -0.57 0.00 0.00 43.02 39.43 1q53 s PHE 19 CO 0.01 -0.63 0.44 0.36 -0.10 0.00 0.00 175.22 175.30 1q53 n LYS 20 N 6.09 -2.82 -3.22 0.44 2.85 -1.26 -4.79 118.16 115.44 1q53 n LYS 20 Ca -0.01 -0.83 -0.39 0.00 -1.05 0.00 0.00 58.31 56.03 1q53 n LYS 20 Cb 0.49 -1.68 -0.07 0.00 -0.65 0.00 0.00 35.03 33.12 1q53 n LYS 20 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1q53 s ASP 21 N -2.25 6.55 0.00 -5.58 -1.08 -1.26 -4.06 116.67 109.00 1q53 s ASP 21 Ca 0.50 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 1q53 s ASP 21 Cb -0.10 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1q53 s ASP 21 CO 0.48 -0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.56 1q53 n GLY 22 N 3.98 1.86 3.85 2.66 0.00 -1.26 -5.12 105.19 111.17 1q53 n GLY 22 Ca -0.04 0.00 -0.37 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 5.42 0.62 1.61 1.01 -1.26 -5.09 120.40 120.72 1q53 s VAL 23 Ca 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 1q53 s VAL 23 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1q53 s VAL 23 CO 0.00 0.59 1.05 -0.44 0.00 0.00 0.00 175.10 176.30 1q53 s SER 24 N -0.83 5.73 0.11 3.32 0.01 -1.26 -4.98 113.70 115.80 1q53 s SER 24 Ca 0.16 1.73 -0.10 0.00 1.31 0.00 0.00 55.95 59.05 1q53 s SER 24 Cb -0.13 -2.52 -0.14 0.00 0.21 0.00 0.00 66.02 63.44 1q53 s SER 24 CO 0.05 -1.20 1.28 1.55 0.41 0.00 0.00 173.24 175.32 1q53 h PRO 25 N 0.11 0.61 -0.29 12.44 0.13 -1.99 -2.98 132.00 140.04 1q53 h PRO 25 Ca -0.46 -0.60 -0.10 0.00 -0.87 0.00 0.00 66.00 63.98 1q53 h PRO 25 Cb 1.21 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1q53 h PRO 25 CO 0.58 1.21 -0.22 1.05 -0.23 0.00 0.00 178.00 180.39 1q53 h GLU 26 N 0.37 0.55 -0.54 0.86 4.11 -1.98 0.82 114.58 118.78 1q53 h GLU 26 Ca -0.09 -0.20 -0.05 0.00 0.07 0.00 0.00 59.36 59.09 1q53 h GLU 26 Cb 1.55 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 1q53 h GLU 26 CO 0.17 0.74 0.14 -0.22 0.07 0.00 0.00 179.01 179.91 1q53 h LYS 27 N 0.49 0.82 0.01 1.06 3.64 -1.95 0.12 116.57 120.76 1q53 h LYS 27 Ca 0.07 -0.16 -0.20 0.00 -1.27 0.00 0.00 60.65 59.10 1q53 h LYS 27 Cb 0.65 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1q53 h LYS 27 CO 0.05 0.73 -0.93 0.82 -2.27 0.00 0.00 179.45 177.85 1q53 h ILE 28 N 0.79 1.60 -0.16 2.00 2.04 -1.29 -2.07 117.51 120.43 1q53 h ILE 28 Ca 0.18 -2.99 -0.03 0.00 1.00 0.00 0.00 64.86 63.02 1q53 h ILE 28 Cb 0.27 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1q53 h ILE 28 CO -0.00 0.86 -0.01 -0.08 0.00 0.00 0.00 178.15 178.91 1q53 h GLU 29 N 0.03 0.29 0.00 2.37 4.81 -0.06 -2.22 114.58 119.80 1q53 h GLU 29 Ca -0.03 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1q53 h GLU 29 Cb 1.61 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.96 1q53 h GLU 29 CO 0.13 0.53 -0.36 1.05 -0.73 0.00 0.00 179.01 179.63 1q53 h GLU 30 N 0.01 0.00 0.04 1.92 4.11 -0.85 0.23 114.58 120.05 1q53 h GLU 30 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 1q53 h GLU 30 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1q53 h GLU 30 CO 0.01 0.36 -0.02 1.25 0.07 0.00 0.00 179.01 180.68 1q53 h LEU 31 N 0.00 -0.04 0.07 3.06 6.46 -1.12 1.13 115.31 124.87 1q53 h LEU 31 Ca -0.00 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1q53 h LEU 31 Cb 0.79 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1q53 h LEU 31 CO 0.05 0.11 -0.04 0.40 -0.62 0.00 0.00 178.44 178.34 1q53 h ILE 32 N -0.20 1.17 -0.72 4.05 2.04 -1.28 0.15 117.51 122.72 1q53 h ILE 32 Ca -0.01 -1.45 0.13 0.00 1.00 0.00 0.00 64.86 64.53 1q53 h ILE 32 Cb 0.18 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 1q53 h ILE 32 CO 0.01 0.33 0.48 0.50 0.00 0.00 0.00 178.15 179.46 1q53 h LYS 33 N -0.82 0.43 0.00 2.37 3.64 -0.58 -1.88 116.57 119.73 1q53 h LYS 33 Ca -0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1q53 h LYS 33 Cb 0.61 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1q53 h LYS 33 CO 0.02 0.28 -0.00 0.78 -2.27 0.00 0.00 179.45 178.26 1q53 h GLY 34 N 0.44 -0.00 -0.95 5.01 0.00 0.14 -3.10 103.07 104.61 1q53 h GLY 34 Ca 0.34 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.92 1q53 h GLY 34 CO -0.11 -0.00 -0.04 -1.72 0.00 0.00 0.00 176.54 174.67 1q53 n TYR 35 N -4.71 0.54 -0.08 5.60 4.01 0.53 0.18 117.16 123.23 1q53 n TYR 35 Ca -0.09 1.14 -0.11 0.00 -0.16 0.00 0.00 57.90 58.68 1q53 n TYR 35 Cb 0.39 -1.17 -0.04 0.00 -0.31 0.00 0.00 39.34 38.21 1q53 n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1q53 h ALA 36 N 1.89 0.33 -0.81 -0.72 0.00 -1.57 0.37 119.26 118.75 1q53 h ALA 36 Ca 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1q53 h ALA 36 Cb 1.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1q53 h ALA 36 CO -0.91 0.01 0.52 -0.97 0.00 0.00 0.00 179.25 177.89 1q53 h ASN 37 N 0.23 0.95 -0.25 0.00 -1.24 0.16 0.20 115.58 115.63 1q53 h ASN 37 Ca 0.08 -0.04 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 1q53 h ASN 37 Cb 0.31 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1q53 h ASN 37 CO 0.00 0.71 -0.20 0.25 -1.29 0.00 0.00 177.43 176.91 1q53 h LEU 38 N 1.11 0.70 -0.90 0.34 5.85 0.22 -2.26 115.31 120.36 1q53 h LEU 38 Ca 0.30 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1q53 h LEU 38 Cb -0.09 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1q53 h LEU 38 CO -0.06 0.89 -0.09 0.58 -0.34 0.00 0.00 178.44 179.43 1q53 h VAL 39 N 0.62 1.25 0.00 1.05 2.07 0.80 0.24 116.25 122.28 1q53 h VAL 39 Ca 0.09 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 1q53 h VAL 39 Cb 0.67 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1q53 h VAL 39 CO 0.05 0.37 -0.26 -1.13 0.02 0.00 0.00 177.57 176.62 1q53 h ASN 40 N 0.66 0.00 0.00 0.57 -1.24 -0.19 -3.26 115.58 112.11 1q53 h ASN 40 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1q53 h ASN 40 Cb 0.53 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1q53 h ASN 40 CO 0.03 0.26 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.35 1q53 h LEU 41 N 0.00 0.00 -8.03 0.34 -0.00 -0.77 -3.44 115.31 103.41 1q53 h LEU 41 Ca -0.00 0.00 -0.70 0.00 -0.00 0.00 0.00 57.88 57.18 1q53 h LEU 41 Cb 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.09 1q53 h LEU 41 CO 0.03 0.15 1.43 -0.38 -0.00 0.00 0.00 178.44 179.68 1q53 n ILE 42 N -2.82 0.01 0.23 1.22 5.41 0.76 -4.79 119.36 119.38 1q53 n ILE 42 Ca -0.00 -0.02 -0.15 0.00 1.00 0.00 0.00 62.75 63.58 1q53 n ILE 42 Cb 0.01 -0.57 -0.08 0.00 -0.71 0.00 0.00 39.64 38.29 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1q53 h GLU 43 N 9.94 -0.55 -5.78 0.38 5.08 -1.86 -3.33 114.58 118.45 1q53 h GLU 43 Ca -0.10 0.04 -0.48 0.00 -1.00 0.00 0.00 59.36 57.82 1q53 h GLU 43 Cb 1.39 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.70 1q53 h GLU 43 CO 1.16 -0.37 1.42 -1.25 -1.00 0.00 0.00 179.01 178.97 1q53 s PRO 44 N -6.10 3.18 -0.33 2.33 0.04 -1.26 -4.70 135.00 128.16 1q53 s PRO 44 Ca -0.16 -1.21 -0.06 0.00 0.04 0.00 0.00 61.00 59.62 1q53 s PRO 44 Cb 0.05 -5.32 0.19 0.00 0.04 0.00 0.00 34.50 29.46 1q53 s PRO 44 CO 0.64 -2.96 0.94 -1.64 0.04 0.00 0.00 177.00 174.02 1q53 s MET 45 N 5.60 0.31 0.14 4.56 -1.94 -1.25 -4.64 119.30 122.07 1q53 s MET 45 Ca 0.59 -0.02 -0.28 0.00 -1.71 0.00 0.00 55.69 54.27 1q53 s MET 45 Cb -0.00 0.06 -0.07 0.00 2.01 0.00 0.00 34.83 36.82 1q53 s MET 45 CO 0.03 -0.47 1.48 0.87 -0.01 0.00 0.00 175.02 176.92 1q53 h LYS 46 N 6.23 -0.10 -1.61 2.03 6.56 -1.83 -3.45 116.57 124.40 1q53 h LYS 46 Ca -0.03 0.01 0.16 0.00 -1.06 0.00 0.00 60.65 59.73 1q53 h LYS 46 Cb 1.21 0.02 -0.21 0.00 -0.57 0.00 0.00 32.23 32.69 1q53 h LYS 46 CO -0.03 -0.07 0.67 0.00 -2.06 0.00 0.00 179.45 177.96 1q53 s ALA 47 N -5.37 -1.98 -0.27 3.86 0.00 -1.24 -5.06 121.76 111.70 1q53 s ALA 47 Ca -0.11 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 1q53 s ALA 47 Cb 0.09 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1q53 s ALA 47 CO 0.55 -0.46 0.18 0.12 0.00 0.00 0.00 175.76 176.15 1q53 s PHE 48 N -1.91 3.23 0.05 0.00 5.36 -1.26 -2.84 117.98 120.61 1q53 s PHE 48 Ca 0.05 0.11 0.06 0.00 -0.96 0.00 0.00 56.93 56.19 1q53 s PHE 48 Cb -0.01 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.29 1q53 s PHE 48 CO -0.04 -0.13 -0.13 -1.01 -1.46 0.00 0.00 175.22 172.45 1q53 s HIS 49 N 1.62 2.68 0.20 10.12 3.76 -0.32 -5.03 115.29 128.32 1q53 s HIS 49 Ca 0.07 -0.18 -0.08 0.00 -0.15 0.00 0.00 55.06 54.72 1q53 s HIS 49 Cb -0.15 -1.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.03 1q53 s HIS 49 CO 0.09 0.33 0.31 1.67 -0.85 0.00 0.00 174.74 176.29 1q53 s TRP 50 N -1.02 0.57 -0.30 1.40 1.48 -1.26 -1.28 118.94 118.53 1q53 s TRP 50 Ca 0.17 -0.90 -0.19 0.00 -1.06 0.00 0.00 56.10 54.12 1q53 s TRP 50 Cb -0.11 -0.10 0.20 0.00 -1.16 0.00 0.00 33.47 32.30 1q53 s TRP 50 CO 0.08 -0.79 1.31 0.20 -4.06 0.00 0.00 176.95 173.69 1q53 s GLY 51 N -3.03 0.50 0.12 3.67 0.00 -1.01 -4.94 107.32 102.62 1q53 s GLY 51 Ca 0.24 3.69 0.07 0.00 0.00 0.00 0.00 44.72 48.71 1q53 s GLY 51 CO 0.06 2.46 -0.07 -1.59 0.00 0.00 0.00 173.10 173.96 1q53 s LYS 52 N 0.68 2.24 0.29 2.90 -2.85 -1.26 -1.76 119.74 119.98 1q53 s LYS 52 Ca -0.02 -1.03 -0.25 0.00 -1.00 0.00 0.00 55.97 53.67 1q53 s LYS 52 Cb -0.03 -2.34 -0.16 0.00 -2.06 0.00 0.00 37.83 33.23 1q53 s LYS 52 CO -0.12 0.50 0.38 -0.40 0.10 0.00 0.00 175.35 175.81 1q53 n ASP 53 N 0.48 -1.71 -4.28 0.03 5.68 -1.26 -4.92 116.55 110.57 1q53 n ASP 53 Ca -0.12 1.00 -0.35 0.00 -0.50 0.00 0.00 54.79 54.81 1q53 n ASP 53 Cb 0.53 -0.95 -0.14 0.00 -1.14 0.00 0.00 41.12 39.42 1q53 n ASP 53 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1q53 s VAL 54 N -1.28 3.38 -0.64 2.12 -7.23 -1.26 -4.77 120.40 110.72 1q53 s VAL 54 Ca 0.62 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.91 1q53 s VAL 54 Cb -0.79 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 33.51 1q53 s VAL 54 CO 0.59 0.25 0.60 -1.54 -0.31 0.00 0.00 175.10 174.68 1q53 n SER 55 N 4.77 -4.80 0.00 4.85 3.41 -1.26 -4.85 113.62 115.74 1q53 n SER 55 Ca -0.17 -0.62 0.10 0.00 -0.26 0.00 0.00 58.87 57.92 1q53 n SER 55 Cb 0.49 -1.51 -0.09 0.00 -0.26 0.00 0.00 64.21 62.84 1q53 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q53 n ILE 56 N -1.58 0.02 0.00 -1.33 0.13 -1.26 -4.99 119.36 110.34 1q53 n ILE 56 Ca -0.22 -0.11 0.00 0.00 -1.10 0.00 0.00 62.75 61.32 1q53 n ILE 56 Cb 0.66 0.70 0.00 0.00 -0.84 0.00 0.00 39.64 40.16 1q53 n ILE 56 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1q53 n GLU 57 N -1.68 0.00 -2.70 9.51 -0.58 -1.26 -3.02 120.64 120.91 1q53 n GLU 57 Ca 0.03 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.71 1q53 n GLU 57 Cb 0.38 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.34 1q53 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1q53 n ASN 58 N 2.88 -1.86 0.00 1.62 2.85 -1.26 -5.00 115.26 114.49 1q53 n ASN 58 Ca 0.00 -2.54 0.00 0.00 -0.11 0.00 0.00 54.58 51.93 1q53 n ASN 58 Cb 0.00 1.34 0.00 0.00 1.24 0.00 0.00 39.78 42.36 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 1.03 1.81 -4.32 1.20 4.77 -1.17 -5.06 117.00 115.27 1q53 n LEU 59 Ca 0.02 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.61 1q53 n LEU 59 Cb 0.70 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.81 1q53 n LEU 59 CO -0.05 0.29 -0.40 0.00 -1.33 0.00 0.00 177.39 175.90 1q53 n HIS 60 N -2.65 -2.11 0.95 -1.77 1.44 -1.26 -4.86 115.22 104.97 1q53 n HIS 60 Ca 0.00 0.49 0.11 0.00 -2.01 0.00 0.00 57.72 56.32 1q53 n HIS 60 Cb 0.48 -1.78 0.13 0.00 0.12 0.00 0.00 29.99 28.94 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 1.07 0.03 0.00 -1.40 3.00 -1.26 -4.87 117.38 113.95 1q53 n GLN 61 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1q53 n GLN 61 Cb 0.45 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.18 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 1.48 0.49 0.14 1.08 0.00 -1.26 -5.06 105.19 102.06 1q53 n GLY 62 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.99 -1.93 -3.45 116.97 112.11 1q53 h TYR 63 Ca 0.00 -0.66 0.00 0.00 2.00 0.00 0.00 58.73 60.07 1q53 h TYR 63 Cb 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.69 1q53 h TYR 63 CO 0.00 1.55 0.00 2.41 -0.00 0.00 0.00 178.16 182.12 1q53 n THR 64 N -3.76 0.00 0.00 -2.88 -1.04 -1.26 -4.34 114.28 101.00 1q53 n THR 64 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1q53 n THR 64 Cb 1.07 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.58 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 -5.08 -1.42 1.44 -1.26 -4.17 115.22 104.73 1q53 n HIS 65 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1q53 n HIS 65 Cb 0.00 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 29.96 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 1.98 -0.12 0.61 -5.25 -0.72 -3.14 121.20 112.55 1q53 s ILE 66 Ca 0.00 -1.17 0.00 0.00 -0.99 0.00 0.00 60.65 58.49 1q53 s ILE 66 Cb 0.00 -1.66 -0.01 0.00 2.95 0.00 0.00 42.46 43.73 1q53 s ILE 66 CO 0.00 0.46 -0.14 -0.36 -1.79 0.00 0.00 174.94 173.12 1q53 s PHE 67 N -0.67 2.79 -0.05 1.37 0.08 0.35 -2.42 117.98 119.44 1q53 s PHE 67 Ca 0.10 -0.63 0.06 0.00 0.12 0.00 0.00 56.93 56.58 1q53 s PHE 67 Cb -0.10 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 1q53 s PHE 67 CO 0.00 -0.20 -0.24 -2.00 -0.10 0.00 0.00 175.22 172.68 1q53 s GLU 68 N 0.28 2.49 -0.22 0.44 2.12 -0.40 -1.24 118.70 122.17 1q53 s GLU 68 Ca -0.10 -0.89 -0.00 0.00 0.36 0.00 0.00 54.97 54.34 1q53 s GLU 68 Cb -0.16 -2.17 0.02 0.00 0.26 0.00 0.00 34.13 32.09 1q53 s GLU 68 CO 0.06 0.43 -0.12 0.45 -0.54 0.00 0.00 175.26 175.53 1q53 s SER 69 N -0.27 3.87 -0.12 -1.70 0.15 -1.23 -1.17 113.70 113.24 1q53 s SER 69 Ca -0.00 -0.79 -0.30 0.00 0.70 0.00 0.00 55.95 55.56 1q53 s SER 69 Cb -0.13 -1.59 -0.01 0.00 -1.71 0.00 0.00 66.02 62.58 1q53 s SER 69 CO 0.03 -0.07 1.03 0.42 1.20 0.00 0.00 173.24 175.84 1q53 s THR 70 N 1.30 4.73 0.41 6.45 -4.23 -1.13 -3.87 115.64 119.31 1q53 s THR 70 Ca 0.02 2.01 0.05 0.00 -1.18 0.00 0.00 61.69 62.59 1q53 s THR 70 Cb -0.15 -4.29 -0.06 0.00 1.34 0.00 0.00 72.50 69.33 1q53 s THR 70 CO -0.08 -0.02 0.03 -0.36 -0.54 0.00 0.00 174.62 173.65 1q53 s PHE 71 N 2.16 2.23 -0.13 3.99 0.08 -1.06 -3.22 117.98 122.03 1q53 s PHE 71 Ca 0.48 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.75 1q53 s PHE 71 Cb -0.18 -1.61 -0.24 0.00 -0.57 0.00 0.00 43.02 40.42 1q53 s PHE 71 CO 0.17 0.27 0.32 -1.91 -0.10 0.00 0.00 175.22 173.97 1q53 n GLU 72 N -0.97 0.69 -3.83 0.44 2.13 -1.26 -1.14 120.64 116.71 1q53 n GLU 72 Ca -0.07 0.22 -0.06 0.00 0.66 0.00 0.00 57.16 57.90 1q53 n GLU 72 Cb 0.67 -1.68 0.01 0.00 0.27 0.00 0.00 31.44 30.71 1q53 n GLU 72 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1q53 s SER 73 N -6.44 -0.09 0.19 4.31 0.15 -1.26 -3.89 113.70 106.66 1q53 s SER 73 Ca -0.17 -0.80 0.12 0.00 0.70 0.00 0.00 55.95 55.80 1q53 s SER 73 Cb 0.07 0.70 -0.06 0.00 -1.71 0.00 0.00 66.02 65.02 1q53 s SER 73 CO 0.77 -1.35 1.31 0.07 1.20 0.00 0.00 173.24 175.24 1q53 h LYS 74 N 2.00 0.00 -0.13 5.44 2.10 -1.97 -2.33 116.57 121.69 1q53 h LYS 74 Ca -0.27 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.22 1q53 h LYS 74 Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 1q53 h LYS 74 CO 0.33 0.67 -0.60 0.93 -2.00 0.00 0.00 179.45 178.77 1q53 h GLU 75 N 0.00 0.43 0.07 0.07 5.08 -1.97 -2.74 114.58 115.53 1q53 h GLU 75 Ca -0.03 -0.30 -0.28 0.00 -1.00 0.00 0.00 59.36 57.76 1q53 h GLU 75 Cb 1.56 0.04 0.02 0.00 0.50 0.00 0.00 28.75 30.88 1q53 h GLU 75 CO 0.09 0.91 -1.15 0.00 -1.00 0.00 0.00 179.01 177.86 1q53 h ALA 76 N 1.02 0.09 -0.19 3.43 0.00 -1.96 -3.09 119.26 118.56 1q53 h ALA 76 Ca -0.01 -0.75 0.06 0.00 0.00 0.00 0.00 54.91 54.21 1q53 h ALA 76 Cb 1.14 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1q53 h ALA 76 CO 0.11 0.72 0.16 -0.24 0.00 0.00 0.00 179.25 180.00 1q53 h VAL 77 N 0.30 0.69 -0.50 0.00 3.04 -1.36 0.22 116.25 118.64 1q53 h VAL 77 Ca -0.16 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1q53 h VAL 77 Cb 1.81 0.88 -0.02 0.00 -2.01 0.00 0.00 31.29 31.95 1q53 h VAL 77 CO 0.22 0.00 0.30 0.00 -1.01 0.00 0.00 177.57 177.07 1q53 h ALA 78 N 1.85 1.58 -0.08 3.17 0.00 -1.40 0.31 119.26 124.70 1q53 h ALA 78 Ca 0.09 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1q53 h ALA 78 Cb 0.42 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1q53 h ALA 78 CO -0.00 0.36 -0.77 1.49 0.00 0.00 0.00 179.25 180.34 1q53 h GLU 79 N 0.69 0.48 -0.35 0.00 4.57 -0.69 -1.30 114.58 117.98 1q53 h GLU 79 Ca 0.18 -0.41 -0.04 0.00 -1.18 0.00 0.00 59.36 57.91 1q53 h GLU 79 Cb -0.02 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1q53 h GLU 79 CO -0.03 1.04 0.04 -0.92 -1.18 0.00 0.00 179.01 177.96 1q53 h TYR 80 N 0.32 0.62 0.00 0.92 3.20 -0.94 -2.41 116.97 118.69 1q53 h TYR 80 Ca -0.04 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 1q53 h TYR 80 Cb 1.36 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 1q53 h TYR 80 CO 0.05 0.66 -0.04 0.82 -1.64 0.00 0.00 178.16 178.01 1q53 h ILE 81 N 0.41 0.09 -0.66 1.81 2.04 -1.00 -2.93 117.51 117.26 1q53 h ILE 81 Ca 0.10 -0.79 -0.42 0.00 1.00 0.00 0.00 64.86 64.75 1q53 h ILE 81 Cb 0.38 1.73 -0.19 0.00 -0.74 0.00 0.00 36.82 37.99 1q53 h ILE 81 CO 0.01 0.04 0.54 0.00 0.00 0.00 0.00 178.15 178.74 1q53 n ALA 82 N -2.11 5.29 -2.56 1.87 0.00 -0.49 -4.86 120.51 117.65 1q53 n ALA 82 Ca 0.02 -2.20 -0.33 0.00 0.00 0.00 0.00 53.44 50.93 1q53 n ALA 82 Cb 0.41 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.44 2.78 0.14 0.00 5.04 -1.11 -4.94 115.29 114.77 1q53 s HIS 83 Ca 0.42 -0.14 -0.05 0.00 -1.54 0.00 0.00 55.06 53.75 1q53 s HIS 83 Cb 0.33 -1.67 -0.07 0.00 0.04 0.00 0.00 32.58 31.21 1q53 s HIS 83 CO 0.01 0.20 1.33 -1.00 -2.34 0.00 0.00 174.74 172.94 1q53 h PRO 84 N 5.43 0.46 -0.74 2.88 0.13 -1.90 -1.82 132.00 136.45 1q53 h PRO 84 Ca -0.45 -0.45 0.05 0.00 -0.87 0.00 0.00 66.00 64.27 1q53 h PRO 84 Cb 1.16 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1q53 h PRO 84 CO 0.51 1.10 0.45 0.00 -0.23 0.00 0.00 178.00 179.83 1q53 h ALA 85 N 0.75 1.00 -0.21 -0.56 0.00 -1.96 0.32 119.26 118.61 1q53 h ALA 85 Ca -0.07 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1q53 h ALA 85 Cb 1.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1q53 h ALA 85 CO 0.16 0.18 -0.52 1.25 0.00 0.00 0.00 179.25 180.31 1q53 h HIS 86 N 0.83 0.93 -0.67 0.00 -0.00 -1.88 -2.45 115.15 111.91 1q53 h HIS 86 Ca 0.32 -0.36 0.06 0.00 -0.00 0.00 0.00 60.37 60.40 1q53 h HIS 86 Cb 0.13 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 27.32 1q53 h HIS 86 CO -0.05 1.15 0.37 0.28 -0.00 0.00 0.00 177.93 179.68 1q53 h VAL 87 N 0.43 0.95 -0.73 5.26 2.07 -0.51 1.46 116.25 125.18 1q53 h VAL 87 Ca -0.01 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1q53 h VAL 87 Cb 1.14 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1q53 h VAL 87 CO 0.11 0.12 0.31 -0.08 0.02 0.00 0.00 177.57 178.06 1q53 h GLU 88 N 0.67 1.08 0.09 1.57 4.81 -0.32 0.38 114.58 122.85 1q53 h GLU 88 Ca 0.31 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1q53 h GLU 88 Cb 0.21 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1q53 h GLU 88 CO -0.20 0.86 -0.04 0.35 -0.73 0.00 0.00 179.01 179.26 1q53 h PHE 89 N 1.06 -0.11 -0.51 0.92 3.57 -0.64 -1.32 116.94 119.91 1q53 h PHE 89 Ca 0.25 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1q53 h PHE 89 Cb 0.18 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 1q53 h PHE 89 CO 0.02 0.43 0.22 0.00 -2.23 0.00 0.00 178.31 176.75 1q53 h ALA 90 N -0.14 0.64 -0.63 2.41 0.00 0.20 0.63 119.26 122.38 1q53 h ALA 90 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1q53 h ALA 90 Cb 0.59 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1q53 h ALA 90 CO 0.02 -0.16 0.35 1.15 0.00 0.00 0.00 179.25 180.61 1q53 h THR 91 N 0.42 1.20 0.01 0.00 2.02 -0.32 0.70 112.91 116.93 1q53 h THR 91 Ca 0.24 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1q53 h THR 91 Cb 0.21 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1q53 h THR 91 CO -0.21 0.21 -0.00 0.40 0.37 0.00 0.00 175.52 176.29 1q53 h ILE 92 N 0.85 1.13 -0.79 3.11 2.04 -0.15 -2.65 117.51 121.06 1q53 h ILE 92 Ca 0.22 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.75 1q53 h ILE 92 Cb 0.02 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 1q53 h ILE 92 CO -0.04 0.11 0.45 0.15 0.00 0.00 0.00 178.15 178.82 1q53 h PHE 93 N -0.19 0.81 -0.16 1.37 3.57 0.49 0.24 116.94 123.06 1q53 h PHE 93 Ca -0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1q53 h PHE 93 Cb 0.19 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1q53 h PHE 93 CO -0.01 0.34 0.14 -0.07 -2.23 0.00 0.00 178.31 176.48 1q53 h LEU 94 N 0.76 0.00 -0.83 0.59 3.38 -0.63 -0.21 115.31 118.37 1q53 h LEU 94 Ca 0.37 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.36 1q53 h LEU 94 Cb 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1q53 h LEU 94 CO -0.23 0.00 0.55 1.23 0.09 0.00 0.00 178.44 180.07 1q53 h GLY 95 N 0.00 1.17 -4.85 0.83 0.00 -0.17 -3.12 103.07 96.93 1q53 h GLY 95 Ca 0.07 -0.43 -0.54 0.00 0.00 0.00 0.00 47.33 46.43 1q53 h GLY 95 CO -0.00 0.42 -0.83 -1.14 0.00 0.00 0.00 176.54 174.99 1q53 n SER 96 N -4.51 3.83 -4.43 0.19 3.41 -0.20 -5.05 113.62 106.87 1q53 n SER 96 Ca 0.09 -3.49 -0.31 0.00 -0.26 0.00 0.00 58.87 54.91 1q53 n SER 96 Cb 0.02 -0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 63.34 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 -3.38 2.48 -0.12 1.04 0.20 -0.55 -4.25 118.68 114.11 1q53 s LEU 97 Ca 0.44 -0.47 -0.08 0.00 0.69 0.00 0.00 54.13 54.71 1q53 s LEU 97 Cb 0.38 -1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 44.67 1q53 s LEU 97 CO -0.13 0.26 -0.15 -0.67 -0.29 0.00 0.00 176.35 175.36 1q53 n ASP 98 N 1.62 1.53 -4.09 3.68 2.03 0.16 -4.64 116.55 116.83 1q53 n ASP 98 Ca -0.16 0.58 -0.11 0.00 0.52 0.00 0.00 54.79 55.61 1q53 n ASP 98 Cb 0.52 -0.82 -0.11 0.00 -0.72 0.00 0.00 41.12 40.00 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 -2.05 0.62 -0.19 -0.67 1.02 -1.23 -4.95 119.74 112.29 1q53 s LYS 99 Ca -0.13 -1.00 -0.07 0.00 0.02 0.00 0.00 55.97 54.79 1q53 s LYS 99 Cb 0.02 -0.16 0.08 0.00 -0.52 0.00 0.00 37.83 37.25 1q53 s LYS 99 CO 0.19 -0.00 0.41 0.54 -0.92 0.00 0.00 175.35 175.56 1q53 s VAL 100 N -2.48 -0.50 -0.07 3.17 0.11 -1.26 -2.32 120.40 117.05 1q53 s VAL 100 Ca -0.01 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1q53 s VAL 100 Cb -0.02 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1q53 s VAL 100 CO -0.03 0.07 -0.05 -0.76 -3.33 0.00 0.00 175.10 170.99 1q53 s LEU 101 N 2.34 1.14 -0.22 2.54 2.01 -1.05 -5.01 118.68 120.43 1q53 s LEU 101 Ca -0.03 -0.19 -0.12 0.00 0.01 0.00 0.00 54.13 53.79 1q53 s LEU 101 Cb -0.11 -0.62 -0.05 0.00 0.01 0.00 0.00 46.19 45.42 1q53 s LEU 101 CO -0.13 -0.10 0.23 -0.69 1.01 0.00 0.00 176.35 176.67 1q53 s VAL 102 N 1.38 5.32 -0.01 -1.59 1.01 -1.26 -2.16 120.40 123.09 1q53 s VAL 102 Ca -0.03 0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1q53 s VAL 102 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1q53 s VAL 102 CO -0.03 0.34 0.11 -0.63 0.00 0.00 0.00 175.10 174.89 1q53 s ILE 103 N 0.97 0.07 0.12 2.22 -1.09 0.89 -5.02 121.20 119.36 1q53 s ILE 103 Ca 0.11 -0.56 0.03 0.00 -2.23 0.00 0.00 60.65 58.01 1q53 s ILE 103 Cb -0.13 -0.35 -0.04 0.00 -1.58 0.00 0.00 42.46 40.35 1q53 s ILE 103 CO 0.04 -0.31 0.13 -0.62 -1.23 0.00 0.00 174.94 172.96 1q53 s ASP 104 N -1.05 5.68 -0.27 3.58 2.15 -1.26 0.13 116.67 125.62 1q53 s ASP 104 Ca -0.11 -0.01 -0.00 0.00 0.43 0.00 0.00 52.55 52.85 1q53 s ASP 104 Cb -0.06 -1.55 0.05 0.00 -0.30 0.00 0.00 42.92 41.05 1q53 s ASP 104 CO 0.01 0.12 -0.05 -0.47 -0.17 0.00 0.00 175.17 174.61 1q53 s TYR 105 N -1.57 3.21 -0.14 -5.34 6.14 0.38 -4.61 117.35 115.44 1q53 s TYR 105 Ca 0.31 -1.96 0.00 0.00 0.64 0.00 0.00 57.07 56.06 1q53 s TYR 105 Cb -0.11 -2.03 0.03 0.00 0.42 0.00 0.00 41.96 40.26 1q53 s TYR 105 CO 0.24 -0.82 -0.11 0.15 0.64 0.00 0.00 175.55 175.65 1q53 s LYS 106 N 1.22 1.94 -0.87 4.97 1.02 -1.26 -3.26 119.74 123.50 1q53 s LYS 106 Ca -0.05 -0.46 -0.25 0.00 0.02 0.00 0.00 55.97 55.23 1q53 s LYS 106 Cb -0.19 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1q53 s LYS 106 CO -0.03 -0.27 1.65 -1.25 -0.92 0.00 0.00 175.35 174.52 1q53 s PRO 107 N 1.57 3.03 -1.06 -1.68 0.04 -1.26 -4.90 135.00 130.74 1q53 s PRO 107 Ca 0.04 -0.41 -0.07 0.00 0.04 0.00 0.00 61.00 60.60 1q53 s PRO 107 Cb -0.13 -4.90 0.26 0.00 0.04 0.00 0.00 34.50 29.78 1q53 s PRO 107 CO -0.09 -2.66 1.03 0.99 0.04 0.00 0.00 177.00 176.30 1q53 s THR 108 N 7.43 5.58 0.56 1.26 2.01 -1.26 -5.04 115.64 126.18 1q53 s THR 108 Ca 0.55 -3.55 -0.12 0.00 0.31 0.00 0.00 61.69 58.89 1q53 s THR 108 Cb -0.06 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 1q53 s THR 108 CO 0.02 -1.16 0.98 -0.44 -0.69 0.00 0.00 174.62 173.33 1q53 s SER 109 N 0.93 6.36 0.05 3.53 0.01 -1.26 -5.06 113.70 118.26 1q53 s SER 109 Ca 0.30 1.39 -0.10 0.00 1.31 0.00 0.00 55.95 58.84 1q53 s SER 109 Cb -0.09 -2.45 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 1q53 s SER 109 CO -0.09 -0.73 0.38 -0.69 0.41 0.00 0.00 173.24 172.51 1q53 s VAL 110 N -2.93 5.12 -0.09 3.43 1.01 -1.26 -5.04 120.40 120.64 1q53 s VAL 110 Ca 0.55 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.73 1q53 s VAL 110 Cb -0.11 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1q53 s VAL 110 CO 0.45 0.37 1.40 -0.94 0.00 0.00 0.00 175.10 176.38 1q53 s SER 111 N -1.58 6.86 0.00 3.32 1.04 -1.26 -5.34 113.70 116.73 1q53 s SER 111 Ca 0.30 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.66 1q53 s SER 111 Cb -0.14 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1q53 s SER 111 CO 0.16 -0.79 0.05 0.00 0.98 0.00 0.00 173.24 173.65