#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 -0.34 0.62 1.61 0.01 -1.26 -5.15 113.70 109.19 1q53 s SER 2 Ca 0.00 -0.34 -0.15 0.00 1.31 0.00 0.00 55.95 56.77 1q53 s SER 2 Cb 0.00 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.78 1q53 s SER 2 CO 0.00 -1.02 1.06 -1.38 0.41 0.00 0.00 173.24 172.31 1q53 s HIS 3 N -3.83 2.96 -0.18 2.43 0.00 -1.26 -5.02 115.29 110.38 1q53 s HIS 3 Ca 0.06 1.50 -0.13 0.00 -3.00 0.00 0.00 55.06 53.49 1q53 s HIS 3 Cb -0.01 -3.01 -0.05 0.00 -4.00 0.00 0.00 32.58 25.52 1q53 s HIS 3 CO -0.06 -1.20 0.27 -1.64 -1.00 0.00 0.00 174.74 171.11 1q53 s MET 4 N -4.22 4.22 0.74 -0.38 1.00 -1.26 -5.07 119.30 114.33 1q53 s MET 4 Ca 0.63 0.03 -0.15 0.00 0.00 0.00 0.00 55.69 56.21 1q53 s MET 4 Cb -0.16 -3.46 0.04 0.00 0.00 0.00 0.00 34.83 31.26 1q53 s MET 4 CO 0.40 0.18 1.20 -2.00 0.00 0.00 0.00 175.02 174.80 1q53 s GLU 5 N 0.66 2.11 -0.32 2.03 2.12 -1.26 -4.98 118.70 119.06 1q53 s GLU 5 Ca 0.15 1.73 -0.14 0.00 0.36 0.00 0.00 54.97 57.07 1q53 s GLU 5 Cb -0.13 -1.83 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 1q53 s GLU 5 CO 0.04 -1.85 0.30 -1.21 -0.54 0.00 0.00 175.26 171.99 1q53 s GLU 6 N -3.96 3.71 -0.20 4.30 8.01 -1.26 -5.04 118.70 124.26 1q53 s GLU 6 Ca 0.74 -0.38 -0.15 0.00 0.01 0.00 0.00 54.97 55.19 1q53 s GLU 6 Cb -0.28 -3.75 0.06 0.00 -4.31 0.00 0.00 34.13 25.84 1q53 s GLU 6 CO 0.46 -0.39 0.51 0.00 0.01 0.00 0.00 175.26 175.85 1q53 s ALA 7 N 1.90 -1.30 -0.36 5.21 0.00 -1.26 -5.05 121.76 120.90 1q53 s ALA 7 Ca 0.10 1.61 0.07 0.00 0.00 0.00 0.00 51.96 53.73 1q53 s ALA 7 Cb -0.17 -0.95 0.44 0.00 0.00 0.00 0.00 23.12 22.45 1q53 s ALA 7 CO 0.11 -0.27 1.15 1.63 0.00 0.00 0.00 175.76 178.38 1q53 n LYS 8 N 3.40 3.45 0.00 0.00 5.02 -1.26 -5.05 118.16 123.71 1q53 n LYS 8 Ca -0.17 -4.31 0.00 0.00 -2.02 0.00 0.00 58.31 51.81 1q53 n LYS 8 Cb 0.56 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q53 n GLY 9 N -0.58 1.65 3.77 0.72 0.00 -1.26 -4.74 105.19 104.74 1q53 n GLY 9 Ca 0.40 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.31 4.37 -0.03 1.61 0.04 -1.26 -5.12 135.00 133.31 1q53 s PRO 10 Ca 0.00 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 1q53 s PRO 10 Cb 0.00 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 1q53 s PRO 10 CO 0.00 0.02 0.36 0.08 0.04 0.00 0.00 177.00 177.50 1q53 s VAL 11 N -1.45 5.12 -0.38 -0.36 1.01 -1.26 -4.85 120.40 118.23 1q53 s VAL 11 Ca 0.52 0.73 -0.06 0.00 0.00 0.00 0.00 61.98 63.17 1q53 s VAL 11 Cb -0.26 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.53 1q53 s VAL 11 CO 0.33 0.57 0.18 -0.54 0.00 0.00 0.00 175.10 175.64 1q53 s LYS 12 N -0.97 2.48 0.02 2.72 3.01 -1.15 -4.37 119.74 121.48 1q53 s LYS 12 Ca 0.22 -1.43 -0.21 0.00 -1.01 0.00 0.00 55.97 53.54 1q53 s LYS 12 Cb -0.16 -3.59 -0.06 0.00 -1.01 0.00 0.00 37.83 33.01 1q53 s LYS 12 CO 0.11 -0.86 0.61 -1.58 0.51 0.00 0.00 175.35 174.14 1q53 s HIS 13 N 1.35 3.72 -0.06 3.18 5.65 -1.26 -1.12 115.29 126.74 1q53 s HIS 13 Ca 0.02 1.25 0.03 0.00 0.25 0.00 0.00 55.06 56.62 1q53 s HIS 13 Cb -0.22 -2.61 0.00 0.00 -1.18 0.00 0.00 32.58 28.58 1q53 s HIS 13 CO 0.01 0.40 -0.16 0.08 -0.65 0.00 0.00 174.74 174.41 1q53 s VAL 14 N -0.39 1.39 -0.02 0.89 1.01 0.85 -3.26 120.40 120.88 1q53 s VAL 14 Ca 0.31 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1q53 s VAL 14 Cb -0.19 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1q53 s VAL 14 CO 0.18 0.41 -0.08 -0.22 0.00 0.00 0.00 175.10 175.39 1q53 s LEU 15 N 0.36 1.80 -0.05 3.92 0.20 0.34 -0.80 118.68 124.45 1q53 s LEU 15 Ca -0.11 -0.16 0.06 0.00 0.69 0.00 0.00 54.13 54.61 1q53 s LEU 15 Cb -0.14 -0.48 -0.01 0.00 -0.43 0.00 0.00 46.19 45.12 1q53 s LEU 15 CO 0.04 0.06 -0.25 -0.76 -0.29 0.00 0.00 176.35 175.15 1q53 s LEU 16 N 0.16 2.09 0.05 -0.68 1.02 -1.06 0.13 118.68 120.40 1q53 s LEU 16 Ca -0.02 -0.49 -0.18 0.00 0.02 0.00 0.00 54.13 53.46 1q53 s LEU 16 Cb -0.07 -1.37 0.04 0.00 0.02 0.00 0.00 46.19 44.80 1q53 s LEU 16 CO 0.00 0.27 0.41 0.00 0.02 0.00 0.00 176.35 177.04 1q53 s ALA 17 N -0.29 -0.98 0.03 4.21 0.00 -1.26 -1.48 121.76 121.98 1q53 s ALA 17 Ca 0.00 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.27 1q53 s ALA 17 Cb -0.13 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1q53 s ALA 17 CO 0.02 -0.48 -0.18 0.45 0.00 0.00 0.00 175.76 175.58 1q53 s SER 18 N -2.12 2.09 -0.36 0.00 0.15 -0.74 -4.45 113.70 108.27 1q53 s SER 18 Ca -0.04 -0.44 -0.21 0.00 0.70 0.00 0.00 55.95 55.96 1q53 s SER 18 Cb -0.00 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1q53 s SER 18 CO -0.04 0.14 0.69 -0.36 1.20 0.00 0.00 173.24 174.88 1q53 s PHE 19 N -0.69 3.13 0.00 3.44 0.40 -1.26 0.15 117.98 123.15 1q53 s PHE 19 Ca 0.05 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 1q53 s PHE 19 Cb -0.08 -3.26 0.00 0.00 0.51 0.00 0.00 43.02 40.19 1q53 s PHE 19 CO 0.01 -0.69 0.00 1.17 0.70 0.00 0.00 175.22 176.41 1q53 n LYS 20 N 6.21 3.05 -1.40 0.44 4.81 -1.22 -4.77 118.16 125.27 1q53 n LYS 20 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.62 1q53 n LYS 20 Cb 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.47 1q53 n LYS 20 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1q53 n ASP 21 N 0.00 -8.39 -1.40 3.14 9.92 -1.26 -3.99 116.55 114.56 1q53 n ASP 21 Ca 0.00 0.97 -0.07 0.00 -0.53 0.00 0.00 54.79 55.15 1q53 n ASP 21 Cb 0.00 -4.50 0.05 0.00 -0.64 0.00 0.00 41.12 36.03 1q53 n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q53 n GLY 22 N -4.25 2.81 3.66 0.44 0.00 -1.26 -4.88 105.19 101.71 1q53 n GLY 22 Ca -0.03 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 4.25 0.93 1.61 0.11 -1.26 -4.97 120.40 120.06 1q53 s VAL 23 Ca 0.17 1.51 -0.17 0.00 -2.93 0.00 0.00 61.98 60.56 1q53 s VAL 23 Cb 0.14 -3.99 -0.13 0.00 -1.53 0.00 0.00 36.38 30.87 1q53 s VAL 23 CO 0.03 -0.15 -0.56 -1.20 -3.33 0.00 0.00 175.10 169.88 1q53 n SER 24 N 6.70 -5.21 0.05 3.54 7.64 -1.26 -4.87 113.62 120.21 1q53 n SER 24 Ca 0.14 0.26 -0.13 0.00 1.01 0.00 0.00 58.87 60.15 1q53 n SER 24 Cb 0.45 -0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 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 -0.92 0.46 -0.24 1.43 0.13 -1.99 -3.08 132.00 127.79 1q53 h PRO 25 Ca -0.44 -0.45 0.07 0.00 -0.87 0.00 0.00 66.00 64.31 1q53 h PRO 25 Cb 1.32 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 1q53 h PRO 25 CO 0.27 1.09 0.21 1.49 -0.23 0.00 0.00 178.00 180.84 1q53 h GLU 26 N 0.28 0.00 -0.02 0.86 4.81 -2.00 0.38 114.58 118.90 1q53 h GLU 26 Ca -0.07 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1q53 h GLU 26 Cb 1.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 1q53 h GLU 26 CO 0.15 0.00 -0.37 -0.22 -0.73 0.00 0.00 179.01 177.85 1q53 h LYS 27 N 0.00 0.03 0.10 1.92 3.64 -1.87 0.83 116.57 121.22 1q53 h LYS 27 Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1q53 h LYS 27 Cb 0.54 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1q53 h LYS 27 CO -0.00 0.39 -0.05 0.82 -2.27 0.00 0.00 179.45 178.34 1q53 h ILE 28 N 0.03 1.05 0.00 2.00 2.04 -0.35 -0.33 117.51 121.95 1q53 h ILE 28 Ca 0.00 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 1q53 h ILE 28 Cb 0.66 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1q53 h ILE 28 CO 0.05 0.15 -0.31 1.05 0.00 0.00 0.00 178.15 179.09 1q53 h GLU 29 N -0.43 0.00 -0.20 2.37 -0.00 -1.37 -1.42 114.58 113.53 1q53 h GLU 29 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.21 1q53 h GLU 29 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.09 1q53 h GLU 29 CO 0.02 0.31 -0.43 0.93 -0.00 0.00 0.00 179.01 179.84 1q53 h GLU 30 N 0.00 0.48 -0.09 1.06 5.08 -0.59 -0.82 114.58 119.69 1q53 h GLU 30 Ca -0.00 -0.25 -0.18 0.00 -1.00 0.00 0.00 59.36 57.93 1q53 h GLU 30 Cb 0.61 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.87 1q53 h GLU 30 CO 0.04 0.82 -0.65 -0.07 -1.00 0.00 0.00 179.01 178.15 1q53 h LEU 31 N 0.39 0.73 -0.33 1.33 4.07 -0.54 -2.82 115.31 118.14 1q53 h LEU 31 Ca 0.03 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1q53 h LEU 31 Cb 0.92 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 1q53 h LEU 31 CO 0.08 1.28 0.22 0.40 -1.08 0.00 0.00 178.44 179.34 1q53 h ILE 32 N 0.23 1.08 -0.75 1.22 2.04 -1.18 0.23 117.51 120.38 1q53 h ILE 32 Ca -0.06 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.77 1q53 h ILE 32 Cb 1.30 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1q53 h ILE 32 CO 0.13 0.08 0.50 0.07 0.00 0.00 0.00 178.15 178.93 1q53 h LYS 33 N 0.44 0.53 0.06 2.37 2.10 -1.17 -1.98 116.57 118.93 1q53 h LYS 33 Ca 0.12 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1q53 h LYS 33 Cb -0.05 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.16 1q53 h LYS 33 CO -0.03 0.35 -0.03 0.78 -2.00 0.00 0.00 179.45 178.52 1q53 h GLY 34 N 0.55 -0.09 -0.73 0.07 0.00 -0.95 -3.24 103.07 98.69 1q53 h GLY 34 Ca 0.36 0.03 0.34 0.00 0.00 0.00 0.00 47.33 48.06 1q53 h GLY 34 CO -0.13 -0.03 0.47 -1.82 0.00 0.00 0.00 176.54 175.03 1q53 h TYR 35 N -0.74 0.74 -0.84 5.60 5.03 0.13 1.71 116.97 128.59 1q53 h TYR 35 Ca -0.01 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.36 1q53 h TYR 35 Cb 0.60 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.68 1q53 h TYR 35 CO 0.13 -0.31 0.55 0.00 -1.32 0.00 0.00 178.16 177.21 1q53 h ALA 36 N 1.91 1.07 0.00 1.82 0.00 -1.46 0.94 119.26 123.53 1q53 h ALA 36 Ca 0.74 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.44 1q53 h ALA 36 Cb 1.78 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1q53 h ALA 36 CO -0.70 0.45 -0.75 -0.91 0.00 0.00 0.00 179.25 177.34 1q53 h ASN 37 N 1.12 0.00 -0.05 0.00 4.21 0.21 0.92 115.58 122.00 1q53 h ASN 37 Ca 0.31 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.80 1q53 h ASN 37 Cb -0.11 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.09 1q53 h ASN 37 CO -0.07 0.75 -0.06 0.25 -1.29 0.00 0.00 177.43 177.00 1q53 h LEU 38 N 0.00 0.14 -0.92 1.61 5.85 0.16 -2.31 115.31 119.84 1q53 h LEU 38 Ca -0.01 -0.52 -0.11 0.00 0.84 0.00 0.00 57.88 58.08 1q53 h LEU 38 Cb 1.34 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1q53 h LEU 38 CO 0.10 0.63 -0.47 -0.37 -0.34 0.00 0.00 178.44 177.98 1q53 h VAL 39 N -0.35 1.34 0.00 1.05 -1.51 0.84 -1.28 116.25 116.33 1q53 h VAL 39 Ca 0.01 -1.66 -0.03 0.00 -1.23 0.00 0.00 66.70 63.78 1q53 h VAL 39 Cb 0.60 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1q53 h VAL 39 CO 0.01 0.49 -0.13 -1.13 -1.23 0.00 0.00 177.57 175.58 1q53 h ASN 40 N 0.12 0.00 0.00 4.19 -1.24 -0.74 -2.93 115.58 114.99 1q53 h ASN 40 Ca 0.01 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.95 1q53 h ASN 40 Cb 0.89 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.93 1q53 h ASN 40 CO 0.07 0.13 -0.43 -0.07 -1.29 0.00 0.00 177.43 175.84 1q53 h LEU 41 N 0.00 0.00 -8.09 0.34 3.38 -0.81 -3.44 115.31 106.69 1q53 h LEU 41 Ca -0.00 -0.59 -0.52 0.00 0.09 0.00 0.00 57.88 56.86 1q53 h LEU 41 Cb 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1q53 h LEU 41 CO 0.02 1.04 1.70 -0.38 0.09 0.00 0.00 178.44 180.91 1q53 n ILE 42 N -4.59 -0.01 -0.34 1.22 5.41 -0.54 -4.74 119.36 115.78 1q53 n ILE 42 Ca -0.15 -0.11 -0.00 0.00 1.00 0.00 0.00 62.75 63.49 1q53 n ILE 42 Cb 0.44 -0.81 0.06 0.00 -0.71 0.00 0.00 39.64 38.61 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1q53 h GLU 43 N 12.73 -0.03 -5.70 0.38 4.81 -1.86 -3.04 114.58 121.88 1q53 h GLU 43 Ca -0.08 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.65 1q53 h GLU 43 Cb 1.31 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.64 1q53 h GLU 43 CO 1.33 -0.02 1.58 -1.25 -0.73 0.00 0.00 179.01 179.92 1q53 s PRO 44 N -6.04 3.23 -0.30 0.92 0.04 -1.26 -4.80 135.00 126.78 1q53 s PRO 44 Ca -0.14 -1.47 -0.09 0.00 0.04 0.00 0.00 61.00 59.33 1q53 s PRO 44 Cb 0.21 -5.37 0.14 0.00 0.04 0.00 0.00 34.50 29.52 1q53 s PRO 44 CO 0.73 -3.07 0.70 1.41 0.04 0.00 0.00 177.00 176.80 1q53 s MET 45 N 5.42 0.53 -0.03 4.56 1.75 -1.15 -4.82 119.30 125.57 1q53 s MET 45 Ca 0.61 1.27 -0.06 0.00 -1.25 0.00 0.00 55.69 56.25 1q53 s MET 45 Cb 0.01 0.76 -0.04 0.00 2.84 0.00 0.00 34.83 38.40 1q53 s MET 45 CO 0.08 -0.25 0.41 -0.22 -0.65 0.00 0.00 175.02 174.40 1q53 h LYS 46 N 7.93 -0.22 -2.24 4.11 1.63 -1.87 -3.49 116.57 122.41 1q53 h LYS 46 Ca -0.18 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1q53 h LYS 46 Cb 1.11 0.05 -0.17 0.00 -0.60 0.00 0.00 32.23 32.62 1q53 h LYS 46 CO 0.12 -0.15 0.33 0.00 -3.45 0.00 0.00 179.45 176.30 1q53 s ALA 47 N -3.34 -1.77 -0.26 5.00 0.00 -1.26 -5.08 121.76 115.05 1q53 s ALA 47 Ca -0.03 1.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.91 1q53 s ALA 47 Cb 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1q53 s ALA 47 CO 0.10 -0.53 0.16 0.12 0.00 0.00 0.00 175.76 175.61 1q53 s PHE 48 N -2.27 3.24 0.04 0.00 5.36 -1.26 -3.30 117.98 119.78 1q53 s PHE 48 Ca -0.03 0.10 0.09 0.00 -0.96 0.00 0.00 56.93 56.13 1q53 s PHE 48 Cb -0.01 -2.31 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1q53 s PHE 48 CO -0.02 -0.09 -0.26 -1.01 -1.46 0.00 0.00 175.22 172.38 1q53 s HIS 49 N 1.43 2.32 0.00 10.12 3.76 -1.13 -5.07 115.29 126.73 1q53 s HIS 49 Ca 0.07 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 54.56 1q53 s HIS 49 Cb -0.15 -1.41 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 1q53 s HIS 49 CO 0.07 0.10 0.01 1.67 -0.85 0.00 0.00 174.74 175.75 1q53 s TRP 50 N -0.78 0.07 -0.15 1.40 1.48 -1.26 -2.58 118.94 117.11 1q53 s TRP 50 Ca 0.12 -0.14 -0.04 0.00 -1.06 0.00 0.00 56.10 54.98 1q53 s TRP 50 Cb -0.10 -0.06 0.07 0.00 -1.16 0.00 0.00 33.47 32.22 1q53 s TRP 50 CO 0.02 -0.07 0.19 0.20 -4.06 0.00 0.00 176.95 173.22 1q53 s GLY 51 N -0.49 0.04 0.16 3.67 0.00 -1.25 -5.03 107.32 104.42 1q53 s GLY 51 Ca -0.05 0.38 0.06 0.00 0.00 0.00 0.00 44.72 45.11 1q53 s GLY 51 CO -0.00 1.92 0.03 -1.59 0.00 0.00 0.00 173.10 173.46 1q53 s LYS 52 N 2.31 2.54 0.35 2.90 -2.85 -1.26 -3.00 119.74 120.72 1q53 s LYS 52 Ca 0.04 -1.02 -0.24 0.00 -1.00 0.00 0.00 55.97 53.75 1q53 s LYS 52 Cb -0.14 -2.45 -0.14 0.00 -2.06 0.00 0.00 37.83 33.04 1q53 s LYS 52 CO -0.09 0.47 0.57 -0.40 0.10 0.00 0.00 175.35 176.00 1q53 n ASP 53 N -0.10 -0.81 -4.30 0.03 5.68 -1.26 -4.93 116.55 110.86 1q53 n ASP 53 Ca -0.09 0.99 -0.36 0.00 -0.50 0.00 0.00 54.79 54.83 1q53 n ASP 53 Cb 0.55 -1.08 -0.14 0.00 -1.14 0.00 0.00 41.12 39.31 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 -1.33 3.46 -1.17 2.12 -7.23 -1.26 -4.70 120.40 110.29 1q53 s VAL 54 Ca 0.62 -0.67 -0.32 0.00 -1.81 0.00 0.00 61.98 59.81 1q53 s VAL 54 Cb -0.69 -2.68 0.04 0.00 0.56 0.00 0.00 36.38 33.61 1q53 s VAL 54 CO 0.59 0.27 0.67 -1.20 -0.31 0.00 0.00 175.10 175.11 1q53 n SER 55 N 4.79 -4.17 -0.40 4.85 7.64 -1.26 -4.82 113.62 120.25 1q53 n SER 55 Ca -0.17 -1.28 0.11 0.00 1.01 0.00 0.00 58.87 58.55 1q53 n SER 55 Cb 0.49 -1.58 0.07 0.00 -1.01 0.00 0.00 64.21 62.18 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 -4.83 0.00 0.00 0.44 0.13 -1.26 -4.97 119.36 108.87 1q53 n ILE 56 Ca -0.14 -0.21 0.00 0.00 -1.10 0.00 0.00 62.75 61.31 1q53 n ILE 56 Cb 0.58 1.04 0.00 0.00 -0.84 0.00 0.00 39.64 40.42 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 -0.29 0.00 -2.94 9.51 1.02 -1.26 -3.38 120.64 123.30 1q53 n GLU 57 Ca 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1q53 n GLU 57 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1q53 n GLU 57 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1q53 s ASN 58 N -4.00 -1.12 -0.44 1.62 0.01 -1.26 -5.09 114.94 104.67 1q53 s ASN 58 Ca 0.00 -0.86 0.07 0.00 -0.71 0.00 0.00 52.86 51.37 1q53 s ASN 58 Cb 0.00 1.44 0.18 0.00 0.41 0.00 0.00 41.25 43.28 1q53 s ASN 58 CO 0.00 -0.09 0.63 -0.76 -1.51 0.00 0.00 177.10 175.37 1q53 s LEU 59 N 1.51 -1.31 -0.10 0.60 1.43 -1.22 -5.14 118.68 114.45 1q53 s LEU 59 Ca 0.20 -1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 51.81 1q53 s LEU 59 Cb 0.01 1.77 0.10 0.00 0.03 0.00 0.00 46.19 48.10 1q53 s LEU 59 CO -0.08 -0.14 0.87 -1.38 0.23 0.00 0.00 176.35 175.84 1q53 s HIS 60 N 1.47 -0.47 -0.02 0.29 -3.43 -1.26 -5.02 115.29 106.85 1q53 s HIS 60 Ca 0.21 0.75 0.31 0.00 -0.80 0.00 0.00 55.06 55.53 1q53 s HIS 60 Cb -0.04 0.45 1.16 0.00 -1.43 0.00 0.00 32.58 32.72 1q53 s HIS 60 CO -0.06 -0.47 1.91 1.96 -2.00 0.00 0.00 174.74 176.07 1q53 h GLN 61 N 2.64 0.00 0.00 -0.38 7.50 -2.04 -3.45 115.11 119.37 1q53 h GLN 61 Ca -0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.93 1q53 h GLN 61 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 1q53 h GLN 61 CO 0.34 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.08 1q53 n GLY 62 N 0.25 0.48 0.08 3.46 0.00 -1.26 -5.05 105.19 103.15 1q53 n GLY 62 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.87 -3.38 116.97 113.39 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 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1q53 h TYR 63 CO 0.00 0.90 0.00 0.25 -1.05 0.00 0.00 178.16 178.26 1q53 n THR 64 N -3.11 0.00 -4.15 -2.88 -2.24 -1.26 -4.32 114.28 96.31 1q53 n THR 64 Ca -0.10 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 1q53 n THR 64 Cb 0.96 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.31 0.11 4.78 3.76 -1.26 -4.44 115.29 119.55 1q53 s HIS 65 Ca 0.00 -1.43 0.06 0.00 -0.15 0.00 0.00 55.06 53.53 1q53 s HIS 65 Cb 0.00 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.36 1q53 s HIS 65 CO 0.00 -1.06 -0.14 0.42 -0.85 0.00 0.00 174.74 173.11 1q53 s ILE 66 N -3.13 1.30 -0.13 0.60 1.01 -1.16 -4.22 121.20 115.46 1q53 s ILE 66 Ca 0.34 -1.65 0.01 0.00 0.00 0.00 0.00 60.65 59.35 1q53 s ILE 66 Cb 0.00 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 41.03 1q53 s ILE 66 CO 0.23 -0.38 -0.14 -0.36 0.00 0.00 0.00 174.94 174.29 1q53 s PHE 67 N -2.00 1.99 -0.05 3.97 0.40 0.35 -3.84 117.98 118.80 1q53 s PHE 67 Ca 0.07 -1.03 0.03 0.00 -0.60 0.00 0.00 56.93 55.41 1q53 s PHE 67 Cb -0.06 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 42.01 1q53 s PHE 67 CO 0.03 -0.56 -0.15 -1.21 0.70 0.00 0.00 175.22 174.02 1q53 s GLU 68 N 1.30 1.78 -0.11 0.44 8.01 -1.07 0.13 118.70 129.18 1q53 s GLU 68 Ca -0.00 -0.53 0.01 0.00 0.01 0.00 0.00 54.97 54.46 1q53 s GLU 68 Cb -0.14 -1.50 0.02 0.00 -4.31 0.00 0.00 34.13 28.20 1q53 s GLU 68 CO -0.06 0.15 -0.14 -1.12 0.01 0.00 0.00 175.26 174.10 1q53 s SER 69 N 0.31 2.32 -0.08 -0.19 0.01 -1.20 -2.84 113.70 112.02 1q53 s SER 69 Ca -0.09 -0.39 -0.27 0.00 1.31 0.00 0.00 55.95 56.50 1q53 s SER 69 Cb -0.13 -1.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.05 1q53 s SER 69 CO 0.03 -0.01 0.88 -0.89 0.41 0.00 0.00 173.24 173.67 1q53 s THR 70 N 1.07 4.89 0.33 1.44 2.01 -1.21 -4.05 115.64 120.12 1q53 s THR 70 Ca -0.05 1.80 0.05 0.00 0.31 0.00 0.00 61.69 63.80 1q53 s THR 70 Cb -0.15 -4.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.09 1q53 s THR 70 CO -0.02 0.11 0.02 -0.36 -0.69 0.00 0.00 174.62 173.68 1q53 s PHE 71 N 1.48 2.07 -0.06 4.92 0.08 -1.26 -3.61 117.98 121.60 1q53 s PHE 71 Ca 0.44 -0.84 -0.15 0.00 0.12 0.00 0.00 56.93 56.50 1q53 s PHE 71 Cb -0.18 -1.34 -0.30 0.00 -0.57 0.00 0.00 43.02 40.62 1q53 s PHE 71 CO 0.19 0.15 0.71 1.49 -0.10 0.00 0.00 175.22 177.67 1q53 h GLU 72 N 2.09 0.35 -1.94 0.44 4.81 -1.94 -3.41 114.58 114.98 1q53 h GLU 72 Ca -0.41 -0.61 0.20 0.00 -0.13 0.00 0.00 59.36 58.41 1q53 h GLU 72 Cb 1.24 0.23 -0.14 0.00 0.63 0.00 0.00 28.75 30.71 1q53 h GLU 72 CO 0.71 1.29 0.63 0.45 -0.73 0.00 0.00 179.01 181.36 1q53 s SER 73 N -7.21 -0.21 0.24 1.04 0.15 -1.26 -4.88 113.70 101.58 1q53 s SER 73 Ca -0.16 -0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.30 1q53 s SER 73 Cb 0.04 0.31 0.44 0.00 -1.71 0.00 0.00 66.02 65.10 1q53 s SER 73 CO 0.84 -0.54 1.65 0.07 1.20 0.00 0.00 173.24 176.46 1q53 h LYS 74 N 2.00 0.15 -0.89 5.44 2.10 -1.95 0.86 116.57 124.28 1q53 h LYS 74 Ca -0.21 -0.01 0.13 0.00 -2.00 0.00 0.00 60.65 58.56 1q53 h LYS 74 Cb 1.21 -0.03 -0.07 0.00 -0.90 0.00 0.00 32.23 32.44 1q53 h LYS 74 CO 0.27 0.10 0.57 0.93 -2.00 0.00 0.00 179.45 179.33 1q53 h GLU 75 N 0.16 0.75 -0.15 0.07 5.08 -2.01 0.90 114.58 119.38 1q53 h GLU 75 Ca 0.41 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.53 1q53 h GLU 75 Cb 0.72 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1q53 h GLU 75 CO -0.60 0.49 -0.68 0.00 -1.00 0.00 0.00 179.01 177.22 1q53 h ALA 76 N 1.58 0.51 -0.53 3.43 0.00 0.17 -2.87 119.26 121.56 1q53 h ALA 76 Ca 0.44 -0.57 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1q53 h ALA 76 Cb 0.60 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1q53 h ALA 76 CO -0.20 0.71 0.37 0.28 0.00 0.00 0.00 179.25 180.41 1q53 h VAL 77 N 0.44 0.82 -0.70 0.00 2.07 0.19 0.22 116.25 119.30 1q53 h VAL 77 Ca -0.02 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1q53 h VAL 77 Cb 1.27 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1q53 h VAL 77 CO 0.13 0.03 0.15 0.00 0.02 0.00 0.00 177.57 177.90 1q53 h ALA 78 N 1.74 0.94 -0.10 1.67 0.00 -1.11 -1.63 119.26 120.77 1q53 h ALA 78 Ca 0.25 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1q53 h ALA 78 Cb 0.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1q53 h ALA 78 CO -0.04 0.67 0.03 0.93 0.00 0.00 0.00 179.25 180.83 1q53 h GLU 79 N 1.07 0.07 0.02 0.00 3.07 -0.59 0.37 114.58 118.58 1q53 h GLU 79 Ca 0.22 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.09 1q53 h GLU 79 Cb 0.40 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1q53 h GLU 79 CO 0.01 0.05 -0.10 -0.92 -1.40 0.00 0.00 179.01 176.64 1q53 h TYR 80 N 0.07 -0.25 0.00 4.33 3.20 -1.24 -0.04 116.97 123.04 1q53 h TYR 80 Ca 0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1q53 h TYR 80 Cb 0.03 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1q53 h TYR 80 CO -0.10 -0.15 0.00 0.82 -1.64 0.00 0.00 178.16 177.08 1q53 h ILE 81 N -0.18 0.00 -0.58 1.81 2.04 -1.09 -0.51 117.51 119.00 1q53 h ILE 81 Ca 0.03 -0.23 -0.19 0.00 1.00 0.00 0.00 64.86 65.46 1q53 h ILE 81 Cb 0.22 1.09 -0.12 0.00 -0.74 0.00 0.00 36.82 37.27 1q53 h ILE 81 CO -0.08 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.31 1q53 n ALA 82 N -1.97 4.17 -2.71 1.87 0.00 0.13 -4.82 120.51 117.18 1q53 n ALA 82 Ca -0.00 -1.77 -0.35 0.00 0.00 0.00 0.00 53.44 51.32 1q53 n ALA 82 Cb 0.18 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.36 3.21 0.16 0.00 5.04 -0.20 -4.96 115.29 116.18 1q53 s HIS 83 Ca 0.41 0.22 -0.01 0.00 -1.54 0.00 0.00 55.06 54.14 1q53 s HIS 83 Cb 0.33 -1.79 -0.01 0.00 0.04 0.00 0.00 32.58 31.14 1q53 s HIS 83 CO 0.10 0.50 1.37 -1.00 -2.34 0.00 0.00 174.74 173.37 1q53 h PRO 84 N 5.01 0.35 -0.61 2.88 0.13 -1.90 -0.99 132.00 136.87 1q53 h PRO 84 Ca -0.51 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1q53 h PRO 84 Cb 1.19 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1q53 h PRO 84 CO 0.55 1.01 0.39 0.00 -0.23 0.00 0.00 178.00 179.73 1q53 h ALA 85 N 0.87 0.77 -0.11 -0.56 0.00 -1.95 0.72 119.26 119.01 1q53 h ALA 85 Ca -0.05 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1q53 h ALA 85 Cb 1.45 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1q53 h ALA 85 CO 0.14 0.22 -0.77 1.25 0.00 0.00 0.00 179.25 180.09 1q53 h HIS 86 N 0.83 0.81 -0.77 0.00 -0.00 -1.85 -2.33 115.15 111.84 1q53 h HIS 86 Ca 0.22 -0.36 -0.06 0.00 -0.00 0.00 0.00 60.37 60.17 1q53 h HIS 86 Cb -0.07 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 1q53 h HIS 86 CO -0.03 1.16 0.26 0.28 -0.00 0.00 0.00 177.93 179.60 1q53 h VAL 87 N 0.40 1.26 -0.31 5.26 2.07 -0.61 0.31 116.25 124.64 1q53 h VAL 87 Ca -0.05 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1q53 h VAL 87 Cb 1.38 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1q53 h VAL 87 CO 0.15 0.35 0.10 -0.08 0.02 0.00 0.00 177.57 178.11 1q53 h GLU 88 N 1.13 0.48 -0.05 1.57 4.81 0.51 -1.03 114.58 122.00 1q53 h GLU 88 Ca 0.25 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1q53 h GLU 88 Cb 0.28 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1q53 h GLU 88 CO -0.01 0.52 0.00 0.35 -0.73 0.00 0.00 179.01 179.14 1q53 h PHE 89 N 0.34 0.09 -0.55 0.92 3.04 -1.11 -0.97 116.94 118.71 1q53 h PHE 89 Ca 0.10 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.16 1q53 h PHE 89 Cb 0.24 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 1q53 h PHE 89 CO 0.00 0.34 0.38 0.00 -2.02 0.00 0.00 178.31 177.01 1q53 h ALA 90 N 0.74 2.28 -0.08 2.41 0.00 -0.32 0.55 119.26 124.83 1q53 h ALA 90 Ca 0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1q53 h ALA 90 Cb 0.30 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1q53 h ALA 90 CO 0.00 -0.42 -0.85 1.15 0.00 0.00 0.00 179.25 179.13 1q53 h THR 91 N 0.17 1.32 -0.12 0.00 2.02 -0.78 -1.44 112.91 114.08 1q53 h THR 91 Ca 0.26 -2.14 -0.15 0.00 0.77 0.00 0.00 66.41 65.15 1q53 h THR 91 Cb 0.79 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 1q53 h THR 91 CO -0.04 0.66 -0.57 0.40 0.37 0.00 0.00 175.52 176.34 1q53 h ILE 92 N 0.40 1.35 0.18 3.11 2.04 0.61 -2.63 117.51 122.57 1q53 h ILE 92 Ca -0.07 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 63.91 1q53 h ILE 92 Cb 1.47 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1q53 h ILE 92 CO 0.16 0.56 -0.09 0.15 0.00 0.00 0.00 178.15 178.94 1q53 h PHE 93 N 0.27 -0.23 -0.28 1.37 3.57 -0.01 -2.86 116.94 118.77 1q53 h PHE 93 Ca 0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1q53 h PHE 93 Cb 1.08 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1q53 h PHE 93 CO 0.03 0.15 0.30 1.37 -2.23 0.00 0.00 178.31 177.93 1q53 h LEU 94 N -0.68 0.00 -0.65 0.59 8.10 -1.29 0.47 115.31 121.86 1q53 h LEU 94 Ca -0.03 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.98 1q53 h LEU 94 Cb 0.48 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.67 1q53 h LEU 94 CO 0.04 0.00 0.41 1.23 -4.11 0.00 0.00 178.44 176.02 1q53 h GLY 95 N 0.00 0.92 -4.84 0.17 0.00 -1.23 -3.23 103.07 94.86 1q53 h GLY 95 Ca 0.14 -0.32 -0.41 0.00 0.00 0.00 0.00 47.33 46.73 1q53 h GLY 95 CO -0.00 0.29 -1.04 1.44 0.00 0.00 0.00 176.54 177.23 1q53 n SER 96 N -4.67 2.59 -4.35 0.19 7.64 0.09 -5.05 113.62 110.05 1q53 n SER 96 Ca 0.06 -2.94 -0.32 0.00 1.01 0.00 0.00 58.87 56.68 1q53 n SER 96 Cb 0.05 -0.49 -0.15 0.00 -1.01 0.00 0.00 64.21 62.62 1q53 n SER 96 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1q53 s LEU 97 N -3.39 2.33 0.00 -3.43 0.20 0.14 -3.40 118.68 111.13 1q53 s LEU 97 Ca 0.34 -0.39 0.00 0.00 0.69 0.00 0.00 54.13 54.78 1q53 s LEU 97 Cb 0.42 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 44.73 1q53 s LEU 97 CO -0.03 0.29 0.10 -0.67 -0.29 0.00 0.00 176.35 175.74 1q53 n ASP 98 N 2.68 0.00 -4.29 3.68 2.03 0.12 -4.69 116.55 116.09 1q53 n ASP 98 Ca -0.17 0.10 -0.18 0.00 0.52 0.00 0.00 54.79 55.06 1q53 n ASP 98 Cb 0.52 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.81 1q53 n ASP 98 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1q53 s LYS 99 N -0.20 1.16 -0.19 -0.67 0.00 -1.24 -4.97 119.74 113.63 1q53 s LYS 99 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 55.97 54.44 1q53 s LYS 99 Cb 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 37.83 36.93 1q53 s LYS 99 CO 0.00 0.17 0.46 0.54 0.00 0.00 0.00 175.35 176.52 1q53 s VAL 100 N -2.66 -0.02 0.01 1.79 0.11 -1.26 -1.79 120.40 116.58 1q53 s VAL 100 Ca 0.16 0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 1q53 s VAL 100 Cb -0.02 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1q53 s VAL 100 CO 0.04 0.03 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.51 1q53 s LEU 101 N 1.30 2.09 -0.20 2.54 1.98 -0.55 -5.02 118.68 120.82 1q53 s LEU 101 Ca -0.08 -0.30 -0.09 0.00 -2.89 0.00 0.00 54.13 50.77 1q53 s LEU 101 Cb -0.07 -0.50 -0.05 0.00 0.66 0.00 0.00 46.19 46.23 1q53 s LEU 101 CO -0.12 0.06 0.11 0.54 -1.89 0.00 0.00 176.35 175.05 1q53 s VAL 102 N -0.53 5.18 0.02 1.68 0.11 -1.26 -2.56 120.40 123.03 1q53 s VAL 102 Ca 0.02 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.18 1q53 s VAL 102 Cb -0.06 -3.37 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 1q53 s VAL 102 CO 0.00 0.43 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.53 1q53 s ILE 103 N 0.52 0.23 -0.06 7.04 -1.09 0.02 -5.03 121.20 122.83 1q53 s ILE 103 Ca 0.06 -0.59 0.04 0.00 -2.23 0.00 0.00 60.65 57.93 1q53 s ILE 103 Cb -0.12 -0.29 0.00 0.00 -1.58 0.00 0.00 42.46 40.47 1q53 s ILE 103 CO -0.00 -0.23 -0.17 -0.62 -1.23 0.00 0.00 174.94 172.69 1q53 s ASP 104 N -0.87 2.21 -0.22 3.58 2.15 -1.26 -0.11 116.67 122.16 1q53 s ASP 104 Ca -0.07 -0.37 0.02 0.00 0.43 0.00 0.00 52.55 52.55 1q53 s ASP 104 Cb -0.06 -0.78 0.04 0.00 -0.30 0.00 0.00 42.92 41.82 1q53 s ASP 104 CO -0.00 0.12 -0.15 -0.47 -0.17 0.00 0.00 175.17 174.50 1q53 s TYR 105 N 0.24 3.00 0.14 -5.34 5.04 -0.28 -4.94 117.35 115.22 1q53 s TYR 105 Ca -0.09 -1.91 0.08 0.00 -2.44 0.00 0.00 57.07 52.72 1q53 s TYR 105 Cb -0.14 -1.94 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 1q53 s TYR 105 CO 0.04 -0.83 -0.11 -1.59 -1.34 0.00 0.00 175.55 171.72 1q53 s LYS 106 N 1.22 2.03 -0.46 4.97 -2.85 -1.26 -2.95 119.74 120.44 1q53 s LYS 106 Ca -0.01 -1.17 -0.28 0.00 -1.00 0.00 0.00 55.97 53.51 1q53 s LYS 106 Cb -0.16 -2.20 0.01 0.00 -2.06 0.00 0.00 37.83 33.42 1q53 s LYS 106 CO -0.09 0.47 1.44 -1.25 0.10 0.00 0.00 175.35 176.02 1q53 s PRO 107 N -2.50 3.45 -0.40 1.78 0.04 -1.26 -4.90 135.00 131.21 1q53 s PRO 107 Ca 0.22 0.79 0.07 0.00 0.04 0.00 0.00 61.00 62.13 1q53 s PRO 107 Cb -0.10 -4.08 0.24 0.00 0.04 0.00 0.00 34.50 30.60 1q53 s PRO 107 CO 0.14 -1.74 0.50 2.41 0.04 0.00 0.00 177.00 178.36 1q53 n THR 108 N 7.04 -0.76 -3.30 1.26 -1.04 -1.26 -5.12 114.28 111.10 1q53 n THR 108 Ca 0.16 -3.84 -0.24 0.00 -2.04 0.00 0.00 64.05 58.08 1q53 n THR 108 Cb 0.48 -1.81 -0.01 0.00 -1.82 0.00 0.00 70.33 67.17 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 -1.00 6.29 0.02 8.00 1.04 -1.26 -5.08 113.70 121.70 1q53 s SER 109 Ca 0.35 0.49 -0.14 0.00 0.48 0.00 0.00 55.95 57.13 1q53 s SER 109 Cb 0.15 -2.05 -0.06 0.00 0.10 0.00 0.00 66.02 64.17 1q53 s SER 109 CO -0.13 -0.33 0.42 -0.69 0.98 0.00 0.00 173.24 173.50 1q53 s VAL 110 N -2.36 5.01 0.02 5.02 1.01 -1.26 -5.04 120.40 122.80 1q53 s VAL 110 Ca 0.41 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1q53 s VAL 110 Cb -0.10 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1q53 s VAL 110 CO 0.37 0.53 1.36 -0.94 0.00 0.00 0.00 175.10 176.42 1q53 s SER 111 N -1.19 6.89 0.00 3.32 1.04 -1.26 -5.19 113.70 117.31 1q53 s SER 111 Ca 0.26 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.79 1q53 s SER 111 Cb -0.16 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1q53 s SER 111 CO 0.15 -0.67 0.46 0.18 0.98 0.00 0.00 173.24 174.33