#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 0.00 -5.00 1.61 3.41 -1.26 -5.18 113.62 107.20 1q53 n SER 2 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1q53 n SER 2 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1q53 n SER 2 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1q53 s HIS 3 N -0.27 2.01 -0.23 7.33 0.00 -1.26 -5.13 115.29 117.74 1q53 s HIS 3 Ca 0.00 -0.61 -0.07 0.00 -3.00 0.00 0.00 55.06 51.37 1q53 s HIS 3 Cb 0.00 -2.23 0.11 0.00 -4.00 0.00 0.00 32.58 26.46 1q53 s HIS 3 CO 0.00 -0.74 0.49 -1.64 -1.00 0.00 0.00 174.74 171.85 1q53 s MET 4 N -4.47 0.41 -0.03 -0.38 1.00 -1.26 -4.97 119.30 109.60 1q53 s MET 4 Ca 0.55 1.14 0.02 0.00 0.00 0.00 0.00 55.69 57.40 1q53 s MET 4 Cb -0.06 0.47 -0.03 0.00 0.00 0.00 0.00 34.83 35.20 1q53 s MET 4 CO 0.34 -0.27 -0.04 -1.21 0.00 0.00 0.00 175.02 173.84 1q53 s GLU 5 N 2.71 2.71 -0.32 2.03 8.01 -1.26 -5.09 118.70 127.48 1q53 s GLU 5 Ca -0.02 -0.61 -0.21 0.00 0.01 0.00 0.00 54.97 54.15 1q53 s GLU 5 Cb -0.12 -2.60 -0.00 0.00 -4.31 0.00 0.00 34.13 27.10 1q53 s GLU 5 CO -0.15 0.64 0.64 -1.21 0.01 0.00 0.00 175.26 175.19 1q53 s GLU 6 N -1.21 3.82 -1.65 1.61 2.02 -1.26 -4.24 118.70 117.80 1q53 s GLU 6 Ca 0.16 0.23 -0.07 0.00 0.02 0.00 0.00 54.97 55.30 1q53 s GLU 6 Cb -0.11 -3.76 0.07 0.00 0.10 0.00 0.00 34.13 30.43 1q53 s GLU 6 CO 0.06 -0.64 0.19 0.00 0.02 0.00 0.00 175.26 174.89 1q53 n ALA 7 N 5.97 -1.77 -1.79 5.21 0.00 -1.26 -4.79 120.51 122.08 1q53 n ALA 7 Ca -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.06 1q53 n ALA 7 Cb 0.49 -1.33 0.15 0.00 0.00 0.00 0.00 19.45 18.75 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 -4.43 2.01 -0.21 0.00 4.76 -1.26 -5.04 118.16 113.99 1q53 n LYS 8 Ca -0.19 -3.45 0.03 0.00 -2.87 0.00 0.00 58.31 51.82 1q53 n LYS 8 Cb 0.62 -1.69 -0.01 0.00 -1.84 0.00 0.00 35.03 32.12 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q53 n GLY 9 N -0.91 -1.91 0.14 0.72 0.00 -1.26 -4.98 105.19 96.99 1q53 n GLY 9 Ca 0.24 -1.34 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 1q53 n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q53 h PRO 10 N 0.00 -0.24 -3.88 1.61 0.13 -1.89 -3.47 132.00 124.26 1q53 h PRO 10 Ca 0.00 0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 64.84 1q53 h PRO 10 Cb 0.19 0.05 -0.31 0.00 0.13 0.00 0.00 31.00 31.07 1q53 h PRO 10 CO 0.00 0.04 -0.74 0.08 -0.23 0.00 0.00 178.00 177.15 1q53 s VAL 11 N -2.81 0.19 -0.17 1.56 1.01 -1.26 -4.63 120.40 114.30 1q53 s VAL 11 Ca -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1q53 s VAL 11 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 1q53 s VAL 11 CO 0.29 0.10 -0.14 -1.59 0.00 0.00 0.00 175.10 173.76 1q53 s LYS 12 N 0.44 3.22 -0.10 2.72 -2.85 -1.08 -3.67 119.74 118.42 1q53 s LYS 12 Ca -0.04 -0.74 -0.23 0.00 -1.00 0.00 0.00 55.97 53.96 1q53 s LYS 12 Cb -0.07 -2.68 -0.03 0.00 -2.06 0.00 0.00 37.83 32.98 1q53 s LYS 12 CO -0.01 -0.04 0.68 -1.58 0.10 0.00 0.00 175.35 174.50 1q53 s HIS 13 N 0.97 3.53 -0.26 1.78 5.65 -1.16 -2.21 115.29 123.59 1q53 s HIS 13 Ca -0.02 1.17 -0.08 0.00 0.25 0.00 0.00 55.06 56.39 1q53 s HIS 13 Cb -0.15 -2.80 -0.02 0.00 -1.18 0.00 0.00 32.58 28.42 1q53 s HIS 13 CO -0.02 0.03 0.08 0.08 -0.65 0.00 0.00 174.74 174.25 1q53 s VAL 14 N 1.07 4.33 -0.10 0.89 1.01 0.11 -2.53 120.40 125.18 1q53 s VAL 14 Ca 0.35 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1q53 s VAL 14 Cb -0.17 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1q53 s VAL 14 CO 0.16 0.30 -0.19 -0.22 0.00 0.00 0.00 175.10 175.14 1q53 s LEU 15 N 1.61 1.92 -0.03 3.92 0.20 -0.89 -1.71 118.68 123.70 1q53 s LEU 15 Ca 0.06 -0.49 0.07 0.00 0.69 0.00 0.00 54.13 54.47 1q53 s LEU 15 Cb -0.15 -1.23 -0.02 0.00 -0.43 0.00 0.00 46.19 44.36 1q53 s LEU 15 CO 0.04 0.09 -0.25 -1.48 -0.29 0.00 0.00 176.35 174.46 1q53 s LEU 16 N 0.65 2.05 -0.21 -0.68 2.34 -1.18 0.18 118.68 121.83 1q53 s LEU 16 Ca -0.13 -0.47 -0.26 0.00 0.06 0.00 0.00 54.13 53.33 1q53 s LEU 16 Cb -0.16 -1.31 0.07 0.00 -0.56 0.00 0.00 46.19 44.23 1q53 s LEU 16 CO 0.03 0.29 0.70 0.00 -1.06 0.00 0.00 176.35 176.31 1q53 s ALA 17 N -0.45 -1.75 -0.01 1.48 0.00 -0.98 -2.81 121.76 117.25 1q53 s ALA 17 Ca 0.06 1.81 0.05 0.00 0.00 0.00 0.00 51.96 53.87 1q53 s ALA 17 Cb -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1q53 s ALA 17 CO 0.00 -0.34 -0.16 0.45 0.00 0.00 0.00 175.76 175.71 1q53 s SER 18 N -0.05 3.95 -0.31 0.00 0.15 -1.22 -4.38 113.70 111.84 1q53 s SER 18 Ca -0.03 -0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.11 1q53 s SER 18 Cb -0.04 -0.75 -0.01 0.00 -1.71 0.00 0.00 66.02 63.52 1q53 s SER 18 CO 0.03 0.30 0.66 -0.36 1.20 0.00 0.00 173.24 175.07 1q53 s PHE 19 N -0.83 3.21 0.99 3.44 0.08 -1.26 0.18 117.98 123.78 1q53 s PHE 19 Ca 0.13 0.60 -0.11 0.00 0.12 0.00 0.00 56.93 57.68 1q53 s PHE 19 Cb -0.11 -3.04 0.18 0.00 -0.57 0.00 0.00 43.02 39.48 1q53 s PHE 19 CO 0.03 -0.50 1.06 0.36 -0.10 0.00 0.00 175.22 176.08 1q53 n LYS 20 N 5.94 -0.96 -2.57 0.44 2.85 -1.23 -4.82 118.16 117.82 1q53 n LYS 20 Ca -0.00 -0.22 -0.43 0.00 -1.05 0.00 0.00 58.31 56.61 1q53 n LYS 20 Cb 0.49 -2.29 -0.02 0.00 -0.65 0.00 0.00 35.03 32.55 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 -2.54 7.12 0.00 -5.58 2.15 -1.26 -3.60 116.67 112.95 1q53 s ASP 21 Ca 0.67 1.63 0.00 0.00 0.43 0.00 0.00 52.55 55.27 1q53 s ASP 21 Cb -0.23 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 1q53 s ASP 21 CO 0.60 -0.57 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 1q53 n GLY 22 N 3.29 0.56 3.75 2.66 0.00 -1.26 -5.12 105.19 109.07 1q53 n GLY 22 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.56 5.03 0.92 1.61 1.01 -1.24 -5.06 120.40 122.12 1q53 s VAL 23 Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 1q53 s VAL 23 Cb 0.00 -3.88 0.15 0.00 0.00 0.00 0.00 36.38 32.65 1q53 s VAL 23 CO 0.00 0.39 1.11 -0.44 0.00 0.00 0.00 175.10 176.15 1q53 s SER 24 N 0.09 3.02 0.12 3.32 0.01 -1.26 -4.95 113.70 114.05 1q53 s SER 24 Ca 0.29 1.88 -0.08 0.00 1.31 0.00 0.00 55.95 59.35 1q53 s SER 24 Cb -0.17 -2.44 -0.12 0.00 0.21 0.00 0.00 66.02 63.50 1q53 s SER 24 CO 0.14 -2.98 1.29 1.55 0.41 0.00 0.00 173.24 173.66 1q53 h PRO 25 N -1.79 0.57 -0.08 12.44 0.13 -2.01 -3.15 132.00 138.12 1q53 h PRO 25 Ca -0.47 -0.56 -0.08 0.00 -0.87 0.00 0.00 66.00 64.02 1q53 h PRO 25 Cb 1.27 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.54 1q53 h PRO 25 CO 0.47 1.18 -0.29 1.05 -0.23 0.00 0.00 178.00 180.18 1q53 h GLU 26 N 0.35 0.15 -0.13 0.86 4.11 -1.99 -1.96 114.58 115.97 1q53 h GLU 26 Ca -0.08 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 1q53 h GLU 26 Cb 1.53 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1q53 h GLU 26 CO 0.17 0.44 0.06 -0.22 0.07 0.00 0.00 179.01 179.52 1q53 h LYS 27 N 0.14 0.18 0.02 1.06 3.64 -1.92 0.27 116.57 119.96 1q53 h LYS 27 Ca 0.02 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 1q53 h LYS 27 Cb 0.59 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1q53 h LYS 27 CO 0.04 0.15 -0.95 0.82 -2.27 0.00 0.00 179.45 177.25 1q53 h ILE 28 N 0.18 1.57 -0.05 2.00 2.04 -1.41 -2.16 117.51 119.69 1q53 h ILE 28 Ca 0.05 -2.93 -0.03 0.00 1.00 0.00 0.00 64.86 62.95 1q53 h ILE 28 Cb 0.04 2.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1q53 h ILE 28 CO -0.01 0.85 -0.08 -0.33 0.00 0.00 0.00 178.15 178.58 1q53 h GLU 29 N 0.05 0.14 0.00 2.37 5.08 -0.68 -2.32 114.58 119.22 1q53 h GLU 29 Ca -0.04 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1q53 h GLU 29 Cb 1.63 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1q53 h GLU 29 CO 0.14 0.64 -0.21 1.05 -1.00 0.00 0.00 179.01 179.63 1q53 h GLU 30 N -0.35 0.00 -0.05 2.33 4.11 -0.62 0.98 114.58 120.97 1q53 h GLU 30 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1q53 h GLU 30 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1q53 h GLU 30 CO 0.02 0.21 -0.01 -0.07 0.07 0.00 0.00 179.01 179.22 1q53 h LEU 31 N 0.00 0.10 0.05 3.06 3.38 -1.29 0.50 115.31 121.12 1q53 h LEU 31 Ca -0.00 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1q53 h LEU 31 Cb 0.44 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1q53 h LEU 31 CO 0.03 0.43 -0.03 0.40 0.09 0.00 0.00 178.44 179.37 1q53 h ILE 32 N -0.23 1.22 -0.72 1.22 2.04 -1.07 -0.87 117.51 119.10 1q53 h ILE 32 Ca 0.01 -1.59 0.13 0.00 1.00 0.00 0.00 64.86 64.42 1q53 h ILE 32 Cb 0.39 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 1q53 h ILE 32 CO 0.00 0.36 0.48 0.50 0.00 0.00 0.00 178.15 179.50 1q53 h LYS 33 N -0.86 0.43 -0.03 2.37 3.64 0.91 -1.41 116.57 121.63 1q53 h LYS 33 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1q53 h LYS 33 Cb 0.65 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1q53 h LYS 33 CO 0.01 0.29 -0.08 0.78 -2.27 0.00 0.00 179.45 178.18 1q53 h GLY 34 N 0.45 0.11 -0.37 5.01 0.00 -0.00 -3.19 103.07 105.07 1q53 h GLY 34 Ca 0.35 -0.14 0.30 0.00 0.00 0.00 0.00 47.33 47.83 1q53 h GLY 34 CO -0.11 0.13 0.67 -1.82 0.00 0.00 0.00 176.54 175.41 1q53 h TYR 35 N -0.48 0.75 -0.86 5.60 5.03 -0.07 1.11 116.97 128.05 1q53 h TYR 35 Ca -0.00 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 1q53 h TYR 35 Cb 0.71 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.74 1q53 h TYR 35 CO 0.14 -0.03 0.52 0.00 -1.32 0.00 0.00 178.16 177.47 1q53 h ALA 36 N 1.68 1.30 -0.13 1.82 0.00 -1.42 0.81 119.26 123.32 1q53 h ALA 36 Ca 0.67 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 55.28 1q53 h ALA 36 Cb 1.67 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1q53 h ALA 36 CO -0.41 0.60 -0.74 -0.97 0.00 0.00 0.00 179.25 177.74 1q53 h ASN 37 N 1.18 0.76 -0.31 0.00 -1.24 0.11 -2.07 115.58 114.00 1q53 h ASN 37 Ca 0.31 -0.49 -0.05 0.00 0.71 0.00 0.00 56.30 56.78 1q53 h ASN 37 Cb -0.06 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.76 1q53 h ASN 37 CO -0.06 1.27 -0.00 0.25 -1.29 0.00 0.00 177.43 177.60 1q53 h LEU 38 N 0.45 0.55 -2.02 0.34 5.85 0.08 0.45 115.31 121.01 1q53 h LEU 38 Ca -0.04 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1q53 h LEU 38 Cb 1.35 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1q53 h LEU 38 CO 0.14 0.72 -0.09 1.62 -0.34 0.00 0.00 178.44 180.49 1q53 h VAL 39 N 0.35 0.68 0.00 1.05 3.04 0.62 0.14 116.25 122.14 1q53 h VAL 39 Ca 0.09 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1q53 h VAL 39 Cb 0.44 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1q53 h VAL 39 CO 0.02 0.09 -0.80 -3.20 -1.01 0.00 0.00 177.57 172.67 1q53 n ASN 40 N -3.86 0.69 -0.06 3.17 5.15 -0.78 -4.12 115.26 115.44 1q53 n ASN 40 Ca -0.02 0.06 -0.10 0.00 -0.60 0.00 0.00 54.58 53.92 1q53 n ASN 40 Cb 0.19 0.39 -0.09 0.00 -0.53 0.00 0.00 39.78 39.73 1q53 n ASN 40 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1q53 h LEU 41 N 0.00 0.00 -8.81 1.20 6.46 0.25 -3.43 115.31 110.98 1q53 h LEU 41 Ca 0.00 -0.69 -0.54 0.00 -0.12 0.00 0.00 57.88 56.53 1q53 h LEU 41 Cb 0.78 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.70 1q53 h LEU 41 CO 0.00 0.86 1.50 -0.63 -0.62 0.00 0.00 178.44 179.55 1q53 s ILE 42 N -2.02 3.09 0.20 4.05 1.01 -0.07 -4.84 121.20 122.63 1q53 s ILE 42 Ca -0.14 0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 1q53 s ILE 42 Cb -0.02 -3.16 0.15 0.00 0.01 0.00 0.00 42.46 39.45 1q53 s ILE 42 CO 0.48 -0.12 1.50 -0.62 0.00 0.00 0.00 174.94 176.18 1q53 n GLU 43 N 8.84 -0.28 -2.44 2.79 1.02 -1.26 -4.14 120.64 125.17 1q53 n GLU 43 Ca 0.31 1.48 -0.42 0.00 -0.02 0.00 0.00 57.16 58.51 1q53 n GLU 43 Cb 0.49 -2.20 -0.03 0.00 -0.02 0.00 0.00 31.44 29.69 1q53 n GLU 43 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1q53 s PRO 44 N -5.80 4.36 -0.12 3.49 0.04 -1.26 -4.98 135.00 130.73 1q53 s PRO 44 Ca -0.13 1.71 -0.33 0.00 0.04 0.00 0.00 61.00 62.29 1q53 s PRO 44 Cb 0.17 -3.52 0.13 0.00 0.04 0.00 0.00 34.50 31.32 1q53 s PRO 44 CO 0.67 -0.42 1.16 1.41 0.04 0.00 0.00 177.00 179.86 1q53 s MET 45 N 2.01 0.43 0.01 4.56 1.75 -1.26 -5.07 119.30 121.75 1q53 s MET 45 Ca 0.57 -0.18 0.00 0.00 -1.25 0.00 0.00 55.69 54.83 1q53 s MET 45 Cb -0.26 0.19 0.00 0.00 2.84 0.00 0.00 34.83 37.60 1q53 s MET 45 CO 0.24 -0.19 0.00 1.63 -0.65 0.00 0.00 175.02 176.04 1q53 n LYS 46 N -0.19 0.00 -3.63 4.11 4.76 -1.26 -5.00 118.16 116.95 1q53 n LYS 46 Ca -0.03 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.34 1q53 n LYS 46 Cb 0.59 -0.07 -0.07 0.00 -1.84 0.00 0.00 35.03 33.65 1q53 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q53 s ALA 47 N -2.00 -2.02 -0.24 7.82 0.00 -1.26 -4.95 121.76 119.11 1q53 s ALA 47 Ca 0.00 1.79 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 1q53 s ALA 47 Cb 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 1q53 s ALA 47 CO 0.00 -0.22 0.20 0.12 0.00 0.00 0.00 175.76 175.85 1q53 s PHE 48 N -0.11 3.31 -0.17 0.00 5.36 -1.26 -2.46 117.98 122.64 1q53 s PHE 48 Ca 0.03 0.26 -0.06 0.00 -0.96 0.00 0.00 56.93 56.20 1q53 s PHE 48 Cb -0.04 -2.32 -0.04 0.00 -0.34 0.00 0.00 43.02 40.28 1q53 s PHE 48 CO -0.07 0.02 0.03 -1.01 -1.46 0.00 0.00 175.22 172.73 1q53 s HIS 49 N 1.21 3.17 0.01 10.12 3.76 0.50 -5.01 115.29 129.05 1q53 s HIS 49 Ca 0.09 -0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.94 1q53 s HIS 49 Cb -0.14 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.51 1q53 s HIS 49 CO 0.06 0.11 0.00 1.67 -0.85 0.00 0.00 174.74 175.73 1q53 s TRP 50 N 0.30 0.17 -0.07 1.40 1.48 -1.26 -0.87 118.94 120.09 1q53 s TRP 50 Ca 0.01 -0.35 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 1q53 s TRP 50 Cb -0.13 -0.13 0.10 0.00 -1.16 0.00 0.00 33.47 32.16 1q53 s TRP 50 CO 0.01 -0.16 0.87 0.20 -4.06 0.00 0.00 176.95 173.82 1q53 s GLY 51 N -1.10 -0.41 0.16 3.67 0.00 -1.26 -5.03 107.32 103.35 1q53 s GLY 51 Ca -0.12 1.47 0.10 0.00 0.00 0.00 0.00 44.72 46.18 1q53 s GLY 51 CO -0.00 0.74 -0.20 -1.59 0.00 0.00 0.00 173.10 172.05 1q53 s LYS 52 N -1.92 1.68 0.28 2.90 -2.85 -1.26 -4.24 119.74 114.34 1q53 s LYS 52 Ca -0.01 -1.36 -0.02 0.00 -1.00 0.00 0.00 55.97 53.58 1q53 s LYS 52 Cb -0.01 -1.99 0.06 0.00 -2.06 0.00 0.00 37.83 33.84 1q53 s LYS 52 CO -0.01 0.43 0.38 -0.40 0.10 0.00 0.00 175.35 175.86 1q53 n ASP 53 N 0.44 0.33 -4.80 0.03 5.75 -1.22 -5.09 116.55 111.99 1q53 n ASP 53 Ca -0.14 -1.32 -0.24 0.00 -0.01 0.00 0.00 54.79 53.08 1q53 n ASP 53 Cb 0.55 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 40.32 1q53 n ASP 53 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1q53 s VAL 54 N -1.27 2.33 -0.59 2.12 -7.23 -1.26 -5.01 120.40 109.49 1q53 s VAL 54 Ca 0.24 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1q53 s VAL 54 Cb -0.01 -2.90 -0.12 0.00 0.56 0.00 0.00 36.38 33.91 1q53 s VAL 54 CO 0.16 0.00 2.43 -1.54 -0.31 0.00 0.00 175.10 175.85 1q53 n SER 55 N -1.39 1.73 -0.00 4.85 3.41 -1.26 -4.67 113.62 116.30 1q53 n SER 55 Ca -0.00 -0.07 0.04 0.00 -0.26 0.00 0.00 58.87 58.59 1q53 n SER 55 Cb 0.64 -1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 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 7.66 0.00 -4.40 -1.33 0.13 -1.26 -5.11 119.36 115.04 1q53 n ILE 56 Ca 0.46 -0.27 0.00 0.00 -1.10 0.00 0.00 62.75 61.84 1q53 n ILE 56 Cb 0.32 0.77 0.00 0.00 -0.84 0.00 0.00 39.64 39.89 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 -1.39 0.00 -2.09 9.51 1.02 -1.26 -4.27 120.64 122.15 1q53 n GLU 57 Ca 0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1q53 n GLU 57 Cb 0.16 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.52 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 5.13 -0.34 1.62 -0.87 -1.26 -4.25 114.94 110.97 1q53 s ASN 58 Ca 0.00 -1.56 0.08 0.00 -1.57 0.00 0.00 52.86 49.81 1q53 s ASN 58 Cb 0.00 -2.58 0.31 0.00 -0.02 0.00 0.00 41.25 38.95 1q53 s ASN 58 CO 0.00 -2.95 1.29 0.18 -2.57 0.00 0.00 177.10 173.05 1q53 n LEU 59 N 14.06 -1.53 -3.82 0.60 4.77 -1.26 -5.13 117.00 124.69 1q53 n LEU 59 Ca 0.44 -2.93 -0.12 0.00 -0.03 0.00 0.00 56.01 53.37 1q53 n LEU 59 Cb 0.47 0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.69 1q53 n LEU 59 CO 0.67 1.66 -0.16 -1.38 -1.33 0.00 0.00 177.39 176.85 1q53 s HIS 60 N 0.14 -0.16 -1.04 -1.77 -3.43 -1.26 -5.02 115.29 102.74 1q53 s HIS 60 Ca 0.14 0.39 0.15 0.00 -0.80 0.00 0.00 55.06 54.94 1q53 s HIS 60 Cb 0.32 0.05 0.65 0.00 -1.43 0.00 0.00 32.58 32.17 1q53 s HIS 60 CO -0.08 -0.13 1.53 1.04 -2.00 0.00 0.00 174.74 175.10 1q53 n GLN 61 N 2.70 3.58 0.00 -0.38 3.00 -1.26 -4.78 117.38 120.24 1q53 n GLN 61 Ca -0.14 -2.54 0.00 0.00 -0.01 0.00 0.00 57.00 54.31 1q53 n GLN 61 Cb 0.58 -1.88 0.00 0.00 0.00 0.00 0.00 30.24 28.94 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 0.95 1.98 0.09 1.08 0.00 -1.26 -4.78 105.19 103.25 1q53 n GLY 62 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.30 1q53 n GLY 62 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1q53 n TYR 63 N -0.32 0.81 -0.28 1.61 4.01 -1.26 -2.32 117.16 119.42 1q53 n TYR 63 Ca 0.00 0.25 0.32 0.00 -0.16 0.00 0.00 57.90 58.32 1q53 n TYR 63 Cb 0.00 -0.96 0.56 0.00 -0.31 0.00 0.00 39.34 38.63 1q53 n TYR 63 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1q53 h THR 64 N 0.00 0.06 -3.35 -0.72 1.35 -1.95 -3.32 112.91 104.99 1q53 h THR 64 Ca -0.10 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.42 1q53 h THR 64 Cb 1.30 0.10 -0.37 0.00 -1.73 0.00 0.00 68.15 67.45 1q53 h THR 64 CO 0.02 0.00 -0.72 -1.00 -0.25 0.00 0.00 175.52 173.57 1q53 s HIS 65 N -4.56 0.02 -0.01 4.73 3.76 -1.26 -3.36 115.29 114.61 1q53 s HIS 65 Ca -0.03 0.26 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 1q53 s HIS 65 Cb 0.17 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.48 1q53 s HIS 65 CO 0.57 -0.17 -0.03 0.96 -0.85 0.00 0.00 174.74 175.23 1q53 s ILE 66 N 1.85 0.25 -0.40 0.60 -4.36 -1.25 -2.31 121.20 115.58 1q53 s ILE 66 Ca 0.01 -0.10 -0.13 0.00 -0.26 0.00 0.00 60.65 60.16 1q53 s ILE 66 Cb -0.12 -0.24 0.03 0.00 1.25 0.00 0.00 42.46 43.38 1q53 s ILE 66 CO -0.03 0.09 0.27 -0.36 0.24 0.00 0.00 174.94 175.14 1q53 s PHE 67 N 0.13 3.25 -0.39 1.37 0.08 0.48 -4.23 117.98 118.66 1q53 s PHE 67 Ca -0.01 -0.86 -0.15 0.00 0.12 0.00 0.00 56.93 56.03 1q53 s PHE 67 Cb -0.04 -2.62 0.01 0.00 -0.57 0.00 0.00 43.02 39.80 1q53 s PHE 67 CO -0.00 -0.66 0.30 -1.21 -0.10 0.00 0.00 175.22 173.55 1q53 s GLU 68 N 1.60 3.14 -0.21 0.44 2.02 -0.05 -2.09 118.70 123.54 1q53 s GLU 68 Ca 0.03 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1q53 s GLU 68 Cb -0.20 -3.93 0.03 0.00 0.10 0.00 0.00 34.13 30.13 1q53 s GLU 68 CO 0.08 -0.67 -0.14 0.45 0.02 0.00 0.00 175.26 174.99 1q53 s SER 69 N 1.71 3.75 0.08 -0.19 0.15 -1.05 0.19 113.70 118.33 1q53 s SER 69 Ca 0.06 -0.82 -0.26 0.00 0.70 0.00 0.00 55.95 55.64 1q53 s SER 69 Cb -0.18 -1.56 -0.06 0.00 -1.71 0.00 0.00 66.02 62.51 1q53 s SER 69 CO 0.11 -0.07 0.79 0.28 1.20 0.00 0.00 173.24 175.55 1q53 s THR 70 N 1.28 4.62 0.12 6.45 -1.32 -1.03 -3.01 115.64 122.75 1q53 s THR 70 Ca 0.01 1.69 0.07 0.00 -1.21 0.00 0.00 61.69 62.26 1q53 s THR 70 Cb -0.15 -4.14 -0.04 0.00 -1.51 0.00 0.00 72.50 66.66 1q53 s THR 70 CO -0.09 0.40 -0.18 -0.36 -2.21 0.00 0.00 174.62 172.18 1q53 s PHE 71 N -0.31 1.63 0.13 9.09 0.08 -1.24 -3.98 117.98 123.39 1q53 s PHE 71 Ca 0.39 -0.47 -0.29 0.00 0.12 0.00 0.00 56.93 56.68 1q53 s PHE 71 Cb -0.21 -0.87 -0.05 0.00 -0.57 0.00 0.00 43.02 41.32 1q53 s PHE 71 CO 0.24 0.20 1.59 1.49 -0.10 0.00 0.00 175.22 178.65 1q53 h GLU 72 N 3.77 -0.47 0.00 0.44 4.81 -1.94 -3.40 114.58 117.78 1q53 h GLU 72 Ca -0.43 0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 58.67 1q53 h GLU 72 Cb 1.19 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 1q53 h GLU 72 CO 0.45 -0.31 0.04 0.43 -0.73 0.00 0.00 179.01 178.89 1q53 n SER 73 N -5.43 -1.75 -0.00 1.04 7.64 -1.26 -4.76 113.62 109.09 1q53 n SER 73 Ca -0.04 -2.72 -0.00 0.00 1.01 0.00 0.00 58.87 57.12 1q53 n SER 73 Cb 0.36 3.06 0.29 0.00 -1.01 0.00 0.00 64.21 66.90 1q53 n SER 73 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1q53 h LYS 74 N 0.00 0.53 -0.96 1.43 3.64 -2.00 -2.22 116.57 116.99 1q53 h LYS 74 Ca -0.29 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.05 1q53 h LYS 74 Cb 1.18 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 1q53 h LYS 74 CO 0.39 0.57 0.60 0.93 -2.27 0.00 0.00 179.45 179.66 1q53 h GLU 75 N 0.50 1.01 -0.42 1.90 5.08 -2.00 0.70 114.58 121.35 1q53 h GLU 75 Ca 0.11 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1q53 h GLU 75 Cb 0.35 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1q53 h GLU 75 CO 0.01 0.67 0.06 0.00 -1.00 0.00 0.00 179.01 178.75 1q53 h ALA 76 N 1.47 1.31 -0.53 3.43 0.00 -1.80 -1.38 119.26 121.76 1q53 h ALA 76 Ca 0.44 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1q53 h ALA 76 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1q53 h ALA 76 CO -0.21 0.48 0.35 -0.24 0.00 0.00 0.00 179.25 179.63 1q53 h VAL 77 N 0.63 1.00 -0.06 0.00 3.04 -0.72 0.59 116.25 120.72 1q53 h VAL 77 Ca 0.14 -0.18 -0.16 0.00 -1.01 0.00 0.00 66.70 65.49 1q53 h VAL 77 Cb 0.31 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.03 1q53 h VAL 77 CO 0.00 0.09 -0.66 0.00 -1.01 0.00 0.00 177.57 176.00 1q53 h ALA 78 N 1.71 0.77 -0.10 3.17 0.00 -0.88 0.35 119.26 124.28 1q53 h ALA 78 Ca 0.22 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1q53 h ALA 78 Cb 0.23 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1q53 h ALA 78 CO -0.06 0.76 -0.70 0.93 0.00 0.00 0.00 179.25 180.18 1q53 h GLU 79 N 0.18 0.64 -0.05 0.00 5.08 -0.34 -0.02 114.58 120.08 1q53 h GLU 79 Ca -0.01 -0.56 -0.21 0.00 -1.00 0.00 0.00 59.36 57.58 1q53 h GLU 79 Cb 1.19 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1q53 h GLU 79 CO 0.10 1.18 -0.83 1.88 -1.00 0.00 0.00 179.01 180.34 1q53 h TYR 80 N 0.30 0.64 -0.19 4.33 0.05 0.08 -1.33 116.97 120.84 1q53 h TYR 80 Ca -0.06 -0.31 -0.17 0.00 0.05 0.00 0.00 58.73 58.24 1q53 h TYR 80 Cb 1.35 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 39.00 1q53 h TYR 80 CO 0.11 1.11 -0.59 0.82 -1.05 0.00 0.00 178.16 178.56 1q53 h ILE 81 N 0.29 1.32 0.00 -2.88 1.08 -0.34 -2.68 117.51 114.29 1q53 h ILE 81 Ca -0.06 -1.84 -0.03 0.00 -0.39 0.00 0.00 64.86 62.55 1q53 h ILE 81 Cb 1.44 1.80 -0.00 0.00 -3.07 0.00 0.00 36.82 36.99 1q53 h ILE 81 CO 0.15 0.57 -0.14 0.00 -0.69 0.00 0.00 178.15 178.04 1q53 h ALA 82 N 0.89 0.97 -2.73 1.87 0.00 -0.96 -3.43 119.26 115.87 1q53 h ALA 82 Ca 0.00 -0.13 -0.54 0.00 0.00 0.00 0.00 54.91 54.24 1q53 h ALA 82 Cb 1.15 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 19.01 1q53 h ALA 82 CO 0.11 0.18 0.83 1.58 0.00 0.00 0.00 179.25 181.94 1q53 n HIS 83 N -3.22 2.77 0.00 0.00 -0.00 -0.51 -4.91 115.22 109.36 1q53 n HIS 83 Ca 0.01 0.31 -0.18 0.00 -0.00 0.00 0.00 57.72 57.86 1q53 n HIS 83 Cb 0.45 -2.57 -0.10 0.00 -0.00 0.00 0.00 29.99 27.78 1q53 n HIS 83 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1q53 h PRO 84 N 4.44 0.55 -0.95 1.57 0.13 -1.86 -1.32 132.00 134.55 1q53 h PRO 84 Ca -0.47 -0.53 0.09 0.00 -0.87 0.00 0.00 66.00 64.22 1q53 h PRO 84 Cb 1.23 0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.43 1q53 h PRO 84 CO 0.77 1.16 0.59 0.00 -0.23 0.00 0.00 178.00 180.29 1q53 h ALA 85 N 0.40 1.37 -0.19 -0.56 0.00 -1.93 1.09 119.26 119.43 1q53 h ALA 85 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1q53 h ALA 85 Cb 1.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1q53 h ALA 85 CO 0.14 0.28 -0.55 1.25 0.00 0.00 0.00 179.25 180.37 1q53 h HIS 86 N 1.01 0.92 -0.22 0.00 -0.00 -1.81 -2.45 115.15 112.61 1q53 h HIS 86 Ca 0.44 -0.37 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1q53 h HIS 86 Cb 0.32 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1q53 h HIS 86 CO -0.02 1.17 0.11 0.28 -0.00 0.00 0.00 177.93 179.47 1q53 h VAL 87 N 0.42 1.14 -0.57 5.26 2.07 0.00 0.21 116.25 124.78 1q53 h VAL 87 Ca -0.01 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.20 1q53 h VAL 87 Cb 1.17 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 1q53 h VAL 87 CO 0.12 0.13 0.21 -0.08 0.02 0.00 0.00 177.57 177.97 1q53 h GLU 88 N 0.23 0.38 -0.55 1.57 4.57 0.12 0.40 114.58 121.30 1q53 h GLU 88 Ca 0.08 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 1q53 h GLU 88 Cb 0.11 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1q53 h GLU 88 CO -0.01 0.25 -0.10 0.35 -1.18 0.00 0.00 179.01 178.32 1q53 h PHE 89 N 0.39 1.14 -0.48 0.92 3.57 -1.10 -2.31 116.94 119.07 1q53 h PHE 89 Ca 0.29 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1q53 h PHE 89 Cb 0.34 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1q53 h PHE 89 CO -0.17 1.05 0.09 0.00 -2.23 0.00 0.00 178.31 177.05 1q53 h ALA 90 N 0.96 1.25 -0.60 2.41 0.00 0.58 0.34 119.26 124.20 1q53 h ALA 90 Ca 0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1q53 h ALA 90 Cb 0.66 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1q53 h ALA 90 CO 0.05 0.51 0.11 1.15 0.00 0.00 0.00 179.25 181.07 1q53 h THR 91 N 0.72 1.25 0.00 0.00 2.02 0.08 -2.15 112.91 114.83 1q53 h THR 91 Ca 0.16 -0.94 -0.24 0.00 0.77 0.00 0.00 66.41 66.16 1q53 h THR 91 Cb 0.31 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1q53 h THR 91 CO 0.00 0.35 -0.97 0.40 0.37 0.00 0.00 175.52 175.67 1q53 h ILE 92 N 0.91 1.37 -0.27 3.11 2.04 -0.85 -3.00 117.51 120.83 1q53 h ILE 92 Ca 0.19 -2.40 0.06 0.00 1.00 0.00 0.00 64.86 63.71 1q53 h ILE 92 Cb 0.38 2.41 -0.06 0.00 -0.74 0.00 0.00 36.82 38.81 1q53 h ILE 92 CO 0.01 0.72 -0.11 0.15 0.00 0.00 0.00 178.15 178.92 1q53 h PHE 93 N 0.27 -0.25 0.00 1.37 3.57 0.00 0.18 116.94 122.09 1q53 h PHE 93 Ca -0.09 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1q53 h PHE 93 Cb 1.61 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.50 1q53 h PHE 93 CO 0.07 -0.17 -0.15 1.37 -2.23 0.00 0.00 178.31 177.20 1q53 h LEU 94 N -0.06 0.00 -0.50 0.59 8.10 -1.45 1.44 115.31 123.43 1q53 h LEU 94 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.13 1q53 h LEU 94 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1q53 h LEU 94 CO -0.31 0.15 0.00 1.23 -4.11 0.00 0.00 178.44 175.40 1q53 h GLY 95 N 0.67 0.00 0.00 0.17 0.00 -0.61 -3.29 103.07 100.01 1q53 h GLY 95 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 1q53 h GLY 95 CO 0.02 0.00 -2.02 1.44 0.00 0.00 0.00 176.54 175.98 1q53 n SER 96 N -2.68 2.41 -4.72 0.19 7.64 -0.00 -4.95 113.62 111.51 1q53 n SER 96 Ca 0.03 -0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.49 1q53 n SER 96 Cb 0.38 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 1q53 n SER 96 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q53 s LEU 97 N -6.20 4.28 0.00 -3.43 1.43 0.48 -3.51 118.68 111.73 1q53 s LEU 97 Ca -0.24 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1q53 s LEU 97 Cb 0.07 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1q53 s LEU 97 CO 0.40 -0.02 0.58 -0.67 0.23 0.00 0.00 176.35 176.86 1q53 n ASP 98 N 3.69 0.00 -4.77 2.29 2.03 0.49 -4.49 116.55 115.79 1q53 n ASP 98 Ca -0.06 0.58 -0.30 0.00 0.52 0.00 0.00 54.79 55.53 1q53 n ASP 98 Cb 0.52 -0.08 -0.06 0.00 -0.72 0.00 0.00 41.12 40.77 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 -1.31 2.87 -0.04 -0.67 -2.85 -1.26 -4.96 119.74 111.53 1q53 s LYS 99 Ca 0.00 -0.70 -0.02 0.00 -1.00 0.00 0.00 55.97 54.25 1q53 s LYS 99 Cb 0.00 -2.72 0.03 0.00 -2.06 0.00 0.00 37.83 33.08 1q53 s LYS 99 CO 0.00 0.56 0.05 0.14 0.10 0.00 0.00 175.35 176.21 1q53 s VAL 100 N -1.39 -0.06 -0.07 1.79 -7.23 -1.26 -3.37 120.40 108.81 1q53 s VAL 100 Ca 0.29 0.39 0.02 0.00 -1.81 0.00 0.00 61.98 60.87 1q53 s VAL 100 Cb -0.12 -0.19 0.01 0.00 0.56 0.00 0.00 36.38 36.64 1q53 s VAL 100 CO 0.22 0.19 -0.12 -0.76 -0.31 0.00 0.00 175.10 174.31 1q53 s LEU 101 N 2.12 1.63 -0.27 1.32 2.01 -1.12 -5.08 118.68 119.29 1q53 s LEU 101 Ca 0.05 -0.30 -0.10 0.00 0.01 0.00 0.00 54.13 53.79 1q53 s LEU 101 Cb -0.12 -0.83 -0.04 0.00 0.01 0.00 0.00 46.19 45.21 1q53 s LEU 101 CO -0.03 0.03 0.15 0.68 1.01 0.00 0.00 176.35 178.19 1q53 s VAL 102 N 0.70 4.96 0.03 -1.59 -7.23 -1.26 -3.11 120.40 112.90 1q53 s VAL 102 Ca -0.14 0.05 0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1q53 s VAL 102 Cb -0.16 -3.35 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 1q53 s VAL 102 CO 0.03 0.28 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.33 1q53 s ILE 103 N 1.71 1.13 -0.13 -0.62 -1.09 -0.69 -5.06 121.20 116.45 1q53 s ILE 103 Ca 0.07 -0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 57.55 1q53 s ILE 103 Cb -0.16 -1.00 -0.03 0.00 -1.58 0.00 0.00 42.46 39.69 1q53 s ILE 103 CO 0.08 0.08 -0.04 -1.81 -1.23 0.00 0.00 174.94 172.03 1q53 s ASP 104 N -0.95 4.80 -0.08 3.58 1.11 -1.26 -0.72 116.67 123.15 1q53 s ASP 104 Ca 0.03 -0.08 0.02 0.00 0.18 0.00 0.00 52.55 52.69 1q53 s ASP 104 Cb -0.07 -1.62 0.02 0.00 1.07 0.00 0.00 42.92 42.31 1q53 s ASP 104 CO 0.01 0.23 -0.11 -0.47 1.18 0.00 0.00 175.17 176.01 1q53 s TYR 105 N -0.03 1.50 0.15 4.23 6.14 -0.94 -4.89 117.35 123.51 1q53 s TYR 105 Ca 0.01 -0.61 0.08 0.00 0.64 0.00 0.00 57.07 57.19 1q53 s TYR 105 Cb -0.13 -1.13 -0.04 0.00 0.42 0.00 0.00 41.96 41.07 1q53 s TYR 105 CO 0.03 -0.35 -0.19 -1.59 0.64 0.00 0.00 175.55 174.09 1q53 s LYS 106 N 0.92 1.24 -0.58 4.97 -2.85 -1.26 -2.64 119.74 119.54 1q53 s LYS 106 Ca -0.10 -1.35 -0.27 0.00 -1.00 0.00 0.00 55.97 53.25 1q53 s LYS 106 Cb -0.15 -1.36 0.01 0.00 -2.06 0.00 0.00 37.83 34.27 1q53 s LYS 106 CO 0.01 0.29 1.51 -1.25 0.10 0.00 0.00 175.35 176.00 1q53 s PRO 107 N -2.56 3.16 -0.41 1.78 0.04 -1.26 -4.88 135.00 130.87 1q53 s PRO 107 Ca 0.13 0.46 0.08 0.00 0.04 0.00 0.00 61.00 61.70 1q53 s PRO 107 Cb -0.07 -4.19 0.24 0.00 0.04 0.00 0.00 34.50 30.53 1q53 s PRO 107 CO 0.06 -2.11 0.52 2.41 0.04 0.00 0.00 177.00 177.91 1q53 n THR 108 N 6.90 -0.54 -3.02 1.26 -1.04 -1.26 -5.09 114.28 111.49 1q53 n THR 108 Ca 0.13 -4.04 -0.32 0.00 -2.04 0.00 0.00 64.05 57.79 1q53 n THR 108 Cb 0.50 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 67.01 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 -1.16 6.71 0.04 8.00 0.01 -1.26 -5.06 113.70 120.99 1q53 s SER 109 Ca 0.35 1.28 -0.13 0.00 1.31 0.00 0.00 55.95 58.76 1q53 s SER 109 Cb 0.16 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 1q53 s SER 109 CO -0.11 -0.28 0.42 -0.69 0.41 0.00 0.00 173.24 172.99 1q53 s VAL 110 N -2.12 5.03 0.04 3.43 1.01 -1.26 -5.04 120.40 121.48 1q53 s VAL 110 Ca 0.54 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1q53 s VAL 110 Cb -0.10 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1q53 s VAL 110 CO 0.21 0.45 1.21 -0.94 0.00 0.00 0.00 175.10 176.03 1q53 s SER 111 N -1.37 7.06 0.00 3.32 1.04 -1.26 -5.35 113.70 117.14 1q53 s SER 111 Ca 0.28 2.00 0.07 0.00 0.48 0.00 0.00 55.95 58.78 1q53 s SER 111 Cb -0.16 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.44 1q53 s SER 111 CO 0.16 -0.51 0.72 0.00 0.98 0.00 0.00 173.24 174.59