#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 -0.08 0.06 1.61 0.01 -1.26 -5.17 113.70 108.87 1q53 s SER 2 Ca 0.00 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 56.86 1q53 s SER 2 Cb 0.00 0.29 0.09 0.00 0.21 0.00 0.00 66.02 66.61 1q53 s SER 2 CO 0.00 -0.49 0.92 -1.38 0.41 0.00 0.00 173.24 172.70 1q53 s HIS 3 N -1.85 -0.26 0.05 2.43 0.00 -1.26 -5.18 115.29 109.22 1q53 s HIS 3 Ca -0.10 0.05 0.01 0.00 -3.00 0.00 0.00 55.06 52.02 1q53 s HIS 3 Cb -0.04 0.58 -0.03 0.00 -4.00 0.00 0.00 32.58 29.09 1q53 s HIS 3 CO 0.00 -0.65 -0.05 -1.64 -1.00 0.00 0.00 174.74 171.40 1q53 s MET 4 N -3.18 0.57 -0.04 -0.38 1.00 -1.26 -5.16 119.30 110.85 1q53 s MET 4 Ca 0.08 -0.96 0.05 0.00 0.00 0.00 0.00 55.69 54.86 1q53 s MET 4 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 34.83 34.75 1q53 s MET 4 CO -0.04 -0.02 -0.18 -2.00 0.00 0.00 0.00 175.02 172.77 1q53 s GLU 5 N -2.59 1.75 -0.31 2.03 2.12 -1.26 -5.11 118.70 115.33 1q53 s GLU 5 Ca -0.03 -0.63 -0.23 0.00 0.36 0.00 0.00 54.97 54.44 1q53 s GLU 5 Cb -0.02 -1.55 -0.00 0.00 0.26 0.00 0.00 34.13 32.81 1q53 s GLU 5 CO -0.03 0.28 0.77 -1.21 -0.54 0.00 0.00 175.26 174.53 1q53 s GLU 6 N -0.07 3.95 0.62 4.30 2.02 -1.26 -4.87 118.70 123.38 1q53 s GLU 6 Ca -0.01 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.51 1q53 s GLU 6 Cb -0.11 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.39 1q53 s GLU 6 CO 0.02 -0.67 0.00 0.00 0.02 0.00 0.00 175.26 174.62 1q53 n ALA 7 N 6.17 -3.85 -0.98 5.21 0.00 -1.26 -5.03 120.51 120.76 1q53 n ALA 7 Ca 0.03 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.40 1q53 n ALA 7 Cb 0.48 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -4.38 0.00 0.00 0.00 4.01 -1.26 -5.01 118.16 111.52 1q53 n LYS 8 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 1q53 n LYS 8 Cb 0.69 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.21 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 1.75 -1.95 3.71 0.72 0.00 -1.25 -4.86 105.19 103.33 1q53 n GLY 9 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1q53 n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q53 s PRO 10 N -2.14 4.45 -0.01 1.61 0.04 -1.26 -5.09 135.00 132.61 1q53 s PRO 10 Ca 0.00 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1q53 s PRO 10 Cb 0.00 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.19 1q53 s PRO 10 CO 0.00 -0.22 -0.02 0.08 0.04 0.00 0.00 177.00 176.88 1q53 s VAL 11 N 1.02 0.21 -0.19 -0.36 1.01 -1.26 -4.47 120.40 116.36 1q53 s VAL 11 Ca 0.58 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.49 1q53 s VAL 11 Cb -0.28 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 35.92 1q53 s VAL 11 CO 0.29 0.09 -0.04 -0.54 0.00 0.00 0.00 175.10 174.90 1q53 s LYS 12 N 0.27 1.43 -0.01 2.72 -0.14 -0.59 -4.38 119.74 119.04 1q53 s LYS 12 Ca -0.02 -0.66 -0.18 0.00 -1.36 0.00 0.00 55.97 53.75 1q53 s LYS 12 Cb -0.05 -2.21 -0.06 0.00 -1.68 0.00 0.00 37.83 33.83 1q53 s LYS 12 CO -0.01 -0.50 0.50 -1.58 -0.76 0.00 0.00 175.35 173.00 1q53 s HIS 13 N 1.58 3.69 -0.19 3.18 5.65 -1.15 -0.50 115.29 127.55 1q53 s HIS 13 Ca -0.01 1.08 0.01 0.00 0.25 0.00 0.00 55.06 56.39 1q53 s HIS 13 Cb -0.17 -2.47 0.03 0.00 -1.18 0.00 0.00 32.58 28.80 1q53 s HIS 13 CO -0.07 0.46 -0.14 0.08 -0.65 0.00 0.00 174.74 174.42 1q53 s VAL 14 N -0.52 1.82 -0.14 0.89 1.01 0.15 -3.18 120.40 120.44 1q53 s VAL 14 Ca 0.27 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1q53 s VAL 14 Cb -0.17 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.46 1q53 s VAL 14 CO 0.15 0.32 -0.08 -0.22 0.00 0.00 0.00 175.10 175.27 1q53 s LEU 15 N 1.35 1.44 0.07 3.92 0.20 0.14 -1.38 118.68 124.42 1q53 s LEU 15 Ca 0.01 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.40 1q53 s LEU 15 Cb -0.15 -0.94 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 1q53 s LEU 15 CO -0.10 -0.13 0.01 -1.48 -0.29 0.00 0.00 176.35 174.36 1q53 s LEU 16 N 1.64 3.51 0.03 -0.68 -0.00 -1.16 0.20 118.68 122.22 1q53 s LEU 16 Ca 0.03 -0.12 -0.12 0.00 -0.00 0.00 0.00 54.13 53.92 1q53 s LEU 16 Cb -0.14 -2.19 0.01 0.00 -0.00 0.00 0.00 46.19 43.88 1q53 s LEU 16 CO -0.08 0.20 0.26 0.00 -0.00 0.00 0.00 176.35 176.72 1q53 s ALA 17 N -1.27 -0.58 -0.05 1.48 0.00 -1.19 -2.74 121.76 117.42 1q53 s ALA 17 Ca 0.25 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.24 1q53 s ALA 17 Cb -0.12 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1q53 s ALA 17 CO 0.17 -0.34 -0.22 -1.12 0.00 0.00 0.00 175.76 174.24 1q53 s SER 18 N -1.85 3.34 -0.30 0.00 0.01 -0.77 -4.12 113.70 110.02 1q53 s SER 18 Ca -0.08 -0.42 -0.17 0.00 1.31 0.00 0.00 55.95 56.59 1q53 s SER 18 Cb -0.02 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.42 1q53 s SER 18 CO -0.01 0.28 0.49 -0.36 0.41 0.00 0.00 173.24 174.05 1q53 s PHE 19 N -0.37 3.23 1.11 2.43 0.08 -1.26 0.19 117.98 123.39 1q53 s PHE 19 Ca 0.03 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.34 1q53 s PHE 19 Cb -0.12 -2.78 0.24 0.00 -0.57 0.00 0.00 43.02 39.79 1q53 s PHE 19 CO 0.02 -0.37 0.53 1.17 -0.10 0.00 0.00 175.22 176.47 1q53 n LYS 20 N 5.59 -3.03 -4.01 0.44 4.81 -1.26 -4.79 118.16 115.90 1q53 n LYS 20 Ca -0.05 -0.90 -0.35 0.00 -0.87 0.00 0.00 58.31 56.14 1q53 n LYS 20 Cb 0.50 -1.57 -0.13 0.00 0.02 0.00 0.00 35.03 33.84 1q53 n LYS 20 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1q53 s ASP 21 N -2.29 4.49 0.00 3.14 2.15 -1.26 -4.47 116.67 118.43 1q53 s ASP 21 Ca 0.42 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.08 1q53 s ASP 21 Cb -0.07 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.78 1q53 s ASP 21 CO 0.35 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.98 1q53 n GLY 22 N 4.55 1.29 3.67 2.66 0.00 -1.26 -5.10 105.19 111.00 1q53 n GLY 22 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.46 4.71 0.59 1.61 1.01 -1.26 -4.99 120.40 121.61 1q53 s VAL 23 Ca 0.00 2.01 -0.18 0.00 0.00 0.00 0.00 61.98 63.81 1q53 s VAL 23 Cb 0.00 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 1q53 s VAL 23 CO 0.00 -0.08 0.32 -1.20 0.00 0.00 0.00 175.10 174.15 1q53 n SER 24 N 5.61 -1.86 0.06 3.32 7.64 -1.26 -4.88 113.62 122.25 1q53 n SER 24 Ca 0.10 0.68 -0.13 0.00 1.01 0.00 0.00 58.87 60.53 1q53 n SER 24 Cb 0.47 -1.09 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 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 0.04 0.44 0.00 1.43 0.13 -2.00 -3.04 132.00 128.99 1q53 h PRO 25 Ca -0.44 -0.42 -0.04 0.00 -0.87 0.00 0.00 66.00 64.22 1q53 h PRO 25 Cb 1.40 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.63 1q53 h PRO 25 CO 0.44 1.08 -0.18 0.93 -0.23 0.00 0.00 178.00 180.03 1q53 h GLU 26 N 0.27 0.00 -0.10 0.86 5.08 -2.00 -1.48 114.58 117.20 1q53 h GLU 26 Ca -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1q53 h GLU 26 Cb 1.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1q53 h GLU 26 CO 0.15 0.18 -0.63 -0.22 -1.00 0.00 0.00 179.01 177.49 1q53 h LYS 27 N 0.00 0.38 -0.50 2.33 3.11 -1.90 -1.01 116.57 118.98 1q53 h LYS 27 Ca -0.00 -0.27 -0.01 0.00 -2.81 0.00 0.00 60.65 57.56 1q53 h LYS 27 Cb 0.33 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 1q53 h LYS 27 CO 0.02 0.89 0.29 0.82 -2.81 0.00 0.00 179.45 178.66 1q53 h ILE 28 N 0.28 1.17 -0.19 2.00 2.04 -1.17 0.75 117.51 122.37 1q53 h ILE 28 Ca -0.01 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1q53 h ILE 28 Cb 1.17 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1q53 h ILE 28 CO 0.11 0.17 -0.11 -0.08 0.00 0.00 0.00 178.15 178.24 1q53 h GLU 29 N 0.67 0.41 -0.94 2.37 4.22 -1.37 -0.79 114.58 119.15 1q53 h GLU 29 Ca 0.18 -0.19 0.10 0.00 0.08 0.00 0.00 59.36 59.53 1q53 h GLU 29 Cb 0.03 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1q53 h GLU 29 CO -0.03 0.72 0.60 0.93 -2.18 0.00 0.00 179.01 179.05 1q53 h GLU 30 N 0.09 0.93 0.05 1.92 4.39 -0.93 1.31 114.58 122.34 1q53 h GLU 30 Ca 0.04 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1q53 h GLU 30 Cb 0.61 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1q53 h GLU 30 CO 0.03 0.61 -0.02 1.25 -1.16 0.00 0.00 179.01 179.72 1q53 h LEU 31 N 0.96 -0.06 -1.25 1.33 6.46 -0.71 0.25 115.31 122.29 1q53 h LEU 31 Ca 0.44 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1q53 h LEU 31 Cb 0.40 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1q53 h LEU 31 CO -0.20 0.42 0.46 0.40 -0.62 0.00 0.00 178.44 178.90 1q53 h ILE 32 N -0.55 1.19 -0.20 4.05 2.04 -0.38 0.69 117.51 124.36 1q53 h ILE 32 Ca -0.01 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 1q53 h ILE 32 Cb 0.49 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1q53 h ILE 32 CO 0.01 0.19 -0.31 0.11 0.00 0.00 0.00 178.15 178.16 1q53 h LYS 33 N 0.99 0.39 0.07 2.37 1.79 0.18 -2.30 116.57 120.06 1q53 h LYS 33 Ca 0.26 -0.16 -0.26 0.00 -2.18 0.00 0.00 60.65 58.32 1q53 h LYS 33 Cb -0.08 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1q53 h LYS 33 CO -0.05 0.66 -1.11 0.78 -1.08 0.00 0.00 179.45 178.65 1q53 h GLY 34 N 1.06 0.45 0.97 3.86 0.00 0.75 -3.17 103.07 107.00 1q53 h GLY 34 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1q53 h GLY 34 CO 0.05 0.82 0.08 -1.82 0.00 0.00 0.00 176.54 175.67 1q53 h TYR 35 N 0.18 0.14 -0.65 5.60 5.03 0.54 0.49 116.97 128.31 1q53 h TYR 35 Ca -0.12 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.27 1q53 h TYR 35 Cb 1.78 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 39.97 1q53 h TYR 35 CO 0.07 0.09 0.43 0.00 -1.32 0.00 0.00 178.16 177.43 1q53 h ALA 36 N 1.06 1.83 0.00 1.82 0.00 -1.51 0.19 119.26 122.66 1q53 h ALA 36 Ca 0.05 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1q53 h ALA 36 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1q53 h ALA 36 CO -0.02 0.05 -0.85 -0.97 0.00 0.00 0.00 179.25 177.45 1q53 h ASN 37 N 0.59 0.20 0.02 0.00 -1.24 -1.29 -2.00 115.58 111.86 1q53 h ASN 37 Ca 0.29 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 1q53 h ASN 37 Cb 0.35 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1q53 h ASN 37 CO -0.09 0.96 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.93 1q53 h LEU 38 N 0.08 -0.02 -1.40 0.34 -0.00 0.27 -1.35 115.31 113.23 1q53 h LEU 38 Ca -0.03 -0.24 -0.04 0.00 -0.00 0.00 0.00 57.88 57.57 1q53 h LEU 38 Cb 1.48 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 42.13 1q53 h LEU 38 CO 0.13 0.22 -0.01 -0.37 -0.00 0.00 0.00 178.44 178.41 1q53 h VAL 39 N -0.27 1.16 -0.75 1.22 -1.51 -0.83 -0.60 116.25 114.67 1q53 h VAL 39 Ca -0.00 -0.65 -0.01 0.00 -1.23 0.00 0.00 66.70 64.81 1q53 h VAL 39 Cb 0.26 0.99 -0.04 0.00 -2.13 0.00 0.00 31.29 30.37 1q53 h VAL 39 CO 0.00 0.22 0.42 -1.13 -1.23 0.00 0.00 177.57 175.85 1q53 h ASN 40 N 0.37 0.94 -0.34 4.19 -1.24 -1.00 -2.24 115.58 116.25 1q53 h ASN 40 Ca 0.08 -0.09 -0.15 0.00 0.71 0.00 0.00 56.30 56.85 1q53 h ASN 40 Cb 0.27 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1q53 h ASN 40 CO 0.01 0.76 -0.37 0.25 -1.29 0.00 0.00 177.43 176.78 1q53 h LEU 41 N 1.04 0.95 -8.64 0.34 5.85 -0.40 -3.42 115.31 111.03 1q53 h LEU 41 Ca 0.27 -0.42 -0.55 0.00 0.84 0.00 0.00 57.88 58.01 1q53 h LEU 41 Cb 0.02 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1q53 h LEU 41 CO -0.04 1.21 1.56 -0.38 -0.34 0.00 0.00 178.44 180.44 1q53 n ILE 42 N -4.06 0.11 -0.39 4.05 2.08 -0.31 -4.81 119.36 116.03 1q53 n ILE 42 Ca -0.02 -0.50 -0.04 0.00 0.56 0.00 0.00 62.75 62.75 1q53 n ILE 42 Cb 0.53 -2.25 -0.00 0.00 -0.75 0.00 0.00 39.64 37.17 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1q53 n GLU 43 N 8.70 -0.30 -2.31 0.38 -0.58 -1.26 -3.65 120.64 121.63 1q53 n GLU 43 Ca 0.39 1.51 -0.40 0.00 -0.42 0.00 0.00 57.16 58.23 1q53 n GLU 43 Cb 0.40 -2.23 -0.03 0.00 -0.57 0.00 0.00 31.44 29.00 1q53 n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1q53 s PRO 44 N -5.79 3.03 -0.30 3.49 0.04 -1.26 -4.88 135.00 129.33 1q53 s PRO 44 Ca -0.13 0.31 -0.08 0.00 0.04 0.00 0.00 61.00 61.13 1q53 s PRO 44 Cb 0.17 -4.24 0.18 0.00 0.04 0.00 0.00 34.50 30.66 1q53 s PRO 44 CO 0.68 -2.28 0.90 1.41 0.04 0.00 0.00 177.00 177.75 1q53 s MET 45 N 6.11 0.31 -0.03 4.56 1.75 -1.24 -4.99 119.30 125.77 1q53 s MET 45 Ca 0.52 0.49 -0.11 0.00 -1.25 0.00 0.00 55.69 55.35 1q53 s MET 45 Cb -0.11 0.27 -0.06 0.00 2.84 0.00 0.00 34.83 37.77 1q53 s MET 45 CO 0.20 -0.38 0.52 -0.22 -0.65 0.00 0.00 175.02 174.49 1q53 h LYS 46 N 7.90 -0.37 -2.47 4.11 1.63 -1.90 -3.48 116.57 121.99 1q53 h LYS 46 Ca -0.14 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.61 1q53 h LYS 46 Cb 1.17 0.08 -0.18 0.00 -0.60 0.00 0.00 32.23 32.71 1q53 h LYS 46 CO 0.01 -0.25 0.05 0.00 -3.45 0.00 0.00 179.45 175.82 1q53 s ALA 47 N -3.62 -1.44 -0.29 5.00 0.00 -1.26 -5.09 121.76 115.07 1q53 s ALA 47 Ca -0.06 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 1q53 s ALA 47 Cb 0.01 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1q53 s ALA 47 CO 0.17 -0.40 0.04 0.12 0.00 0.00 0.00 175.76 175.69 1q53 s PHE 48 N -1.70 3.14 0.05 0.00 5.36 -1.26 -3.88 117.98 119.70 1q53 s PHE 48 Ca -0.09 -1.21 0.05 0.00 -0.96 0.00 0.00 56.93 54.72 1q53 s PHE 48 Cb -0.01 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 1q53 s PHE 48 CO 0.04 -0.64 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.10 1q53 s HIS 49 N 1.43 2.87 0.06 10.12 3.76 -1.20 -5.10 115.29 127.24 1q53 s HIS 49 Ca 0.01 -0.07 -0.09 0.00 -0.15 0.00 0.00 55.06 54.77 1q53 s HIS 49 Cb -0.17 -1.54 -0.00 0.00 1.11 0.00 0.00 32.58 31.97 1q53 s HIS 49 CO 0.01 0.41 0.18 1.67 -0.85 0.00 0.00 174.74 176.16 1q53 s TRP 50 N -1.13 0.11 0.00 1.40 1.48 -1.26 -3.18 118.94 116.36 1q53 s TRP 50 Ca 0.20 -0.42 -0.21 0.00 -1.06 0.00 0.00 56.10 54.61 1q53 s TRP 50 Cb -0.11 -0.06 0.04 0.00 -1.16 0.00 0.00 33.47 32.18 1q53 s TRP 50 CO 0.12 -0.46 0.47 0.20 -4.06 0.00 0.00 176.95 173.21 1q53 s GLY 51 N -2.37 -0.34 0.17 3.67 0.00 -1.19 -5.04 107.32 102.22 1q53 s GLY 51 Ca -0.01 0.62 0.07 0.00 0.00 0.00 0.00 44.72 45.40 1q53 s GLY 51 CO -0.06 0.35 -0.01 -1.59 0.00 0.00 0.00 173.10 171.78 1q53 s LYS 52 N -1.76 2.37 0.63 2.90 -2.85 -1.26 -2.48 119.74 117.29 1q53 s LYS 52 Ca -0.09 -1.10 -0.18 0.00 -1.00 0.00 0.00 55.97 53.60 1q53 s LYS 52 Cb -0.02 -2.35 -0.03 0.00 -2.06 0.00 0.00 37.83 33.37 1q53 s LYS 52 CO 0.03 0.46 1.12 -0.40 0.10 0.00 0.00 175.35 176.66 1q53 n ASP 53 N -0.03 1.37 -4.51 0.03 5.75 -0.24 -4.94 116.55 113.98 1q53 n ASP 53 Ca -0.10 0.81 -0.39 0.00 -0.01 0.00 0.00 54.79 55.10 1q53 n ASP 53 Cb 0.55 -1.47 -0.11 0.00 -1.03 0.00 0.00 41.12 39.06 1q53 n ASP 53 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1q53 s VAL 54 N -1.46 4.99 -0.61 2.12 0.11 -1.26 -5.03 120.40 119.25 1q53 s VAL 54 Ca 0.80 -0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 59.69 1q53 s VAL 54 Cb -0.39 -3.47 0.16 0.00 -1.53 0.00 0.00 36.38 31.14 1q53 s VAL 54 CO 0.43 0.14 0.42 -0.44 -3.33 0.00 0.00 175.10 172.32 1q53 s SER 55 N 1.69 5.15 -0.01 3.54 0.01 -1.26 -4.62 113.70 118.21 1q53 s SER 55 Ca 0.06 -2.86 0.09 0.00 1.31 0.00 0.00 55.95 54.54 1q53 s SER 55 Cb -0.17 -1.83 -0.11 0.00 0.21 0.00 0.00 66.02 64.12 1q53 s SER 55 CO 0.09 -0.36 0.27 0.00 0.41 0.00 0.00 173.24 173.65 1q53 n ILE 56 N 3.46 0.00 -2.08 1.44 0.00 -1.26 -4.79 119.36 116.13 1q53 n ILE 56 Ca 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 62.75 62.57 1q53 n ILE 56 Cb 0.37 0.64 0.01 0.00 0.00 0.00 0.00 39.64 40.67 1q53 n ILE 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1q53 n GLU 57 N -1.51 0.16 -2.97 9.51 2.13 -1.26 -5.06 120.64 121.65 1q53 n GLU 57 Ca -0.00 -0.27 -0.00 0.00 0.66 0.00 0.00 57.16 57.55 1q53 n GLU 57 Cb 0.18 0.30 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1q53 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1q53 n ASN 58 N -0.19 -7.28 -2.75 4.31 2.85 -1.26 -4.96 115.26 105.98 1q53 n ASN 58 Ca -0.06 0.90 -0.04 0.00 -0.11 0.00 0.00 54.58 55.27 1q53 n ASN 58 Cb 0.47 -3.41 0.04 0.00 1.24 0.00 0.00 39.78 38.13 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 0.99 1.70 -4.02 1.20 4.77 -1.26 -5.08 117.00 115.30 1q53 n LEU 59 Ca 0.00 -3.33 -0.08 0.00 -0.03 0.00 0.00 56.01 52.57 1q53 n LEU 59 Cb 0.26 0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.67 1q53 n LEU 59 CO 0.22 1.25 -0.33 -1.38 -1.33 0.00 0.00 177.39 175.83 1q53 s HIS 60 N -3.59 0.38 -0.11 -1.77 -3.43 -1.26 -5.05 115.29 100.46 1q53 s HIS 60 Ca 0.28 -0.81 0.20 0.00 -0.80 0.00 0.00 55.06 53.93 1q53 s HIS 60 Cb 0.37 -0.28 -0.24 0.00 -1.43 0.00 0.00 32.58 30.99 1q53 s HIS 60 CO -0.02 -0.33 0.49 0.94 -2.00 0.00 0.00 174.74 173.83 1q53 n GLN 61 N 0.63 0.65 0.00 -0.38 -0.06 -1.26 -4.93 117.38 112.03 1q53 n GLN 61 Ca -0.18 -0.03 0.00 0.00 -2.00 0.00 0.00 57.00 54.79 1q53 n GLN 61 Cb 0.59 -1.61 0.00 0.00 -4.06 0.00 0.00 30.24 25.16 1q53 n GLN 61 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1q53 n GLY 62 N 1.41 -0.26 0.14 1.69 0.00 -1.26 -5.07 105.19 101.84 1q53 n GLY 62 Ca -0.12 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 0.82 0.00 1.61 0.05 -1.91 -3.43 116.97 114.10 1q53 h TYR 63 Ca 0.00 -0.60 0.00 0.00 0.05 0.00 0.00 58.73 58.18 1q53 h TYR 63 Cb 0.00 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1q53 h TYR 63 CO 0.00 1.56 0.00 2.41 -1.05 0.00 0.00 178.16 181.08 1q53 n THR 64 N -3.77 0.00 -3.52 -2.88 -1.04 -1.26 -4.30 114.28 97.51 1q53 n THR 64 Ca -0.19 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.72 1q53 n THR 64 Cb 1.04 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.53 1q53 n THR 64 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1q53 s HIS 65 N 0.00 -0.41 -0.03 -1.42 3.76 -1.26 -1.08 115.29 114.85 1q53 s HIS 65 Ca 0.00 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.10 1q53 s HIS 65 Cb 0.00 0.58 0.02 0.00 1.11 0.00 0.00 32.58 34.29 1q53 s HIS 65 CO 0.00 -0.81 -0.01 0.96 -0.85 0.00 0.00 174.74 174.03 1q53 s ILE 66 N -3.55 0.28 -0.17 0.60 -5.25 -1.04 -3.14 121.20 108.92 1q53 s ILE 66 Ca 0.04 0.02 -0.08 0.00 -0.99 0.00 0.00 60.65 59.64 1q53 s ILE 66 Cb -0.02 -0.35 -0.04 0.00 2.95 0.00 0.00 42.46 45.00 1q53 s ILE 66 CO -0.08 0.16 0.10 -0.36 -1.79 0.00 0.00 174.94 172.97 1q53 s PHE 67 N 0.95 3.38 -0.11 1.37 0.08 0.54 -3.15 117.98 121.04 1q53 s PHE 67 Ca -0.10 0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.24 1q53 s PHE 67 Cb -0.14 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1q53 s PHE 67 CO -0.01 0.35 -0.16 -1.21 -0.10 0.00 0.00 175.22 174.09 1q53 s GLU 68 N 0.01 2.27 0.04 0.44 2.02 -1.19 0.28 118.70 122.57 1q53 s GLU 68 Ca 0.08 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.52 1q53 s GLU 68 Cb -0.12 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 1q53 s GLU 68 CO 0.00 -0.05 -0.02 0.45 0.02 0.00 0.00 175.26 175.66 1q53 s SER 69 N 0.94 4.92 -0.13 -0.19 0.15 -1.19 -3.25 113.70 114.94 1q53 s SER 69 Ca -0.07 -0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.41 1q53 s SER 69 Cb -0.15 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.93 1q53 s SER 69 CO -0.01 0.24 0.04 -0.89 1.20 0.00 0.00 173.24 173.82 1q53 s THR 70 N -1.15 4.65 0.20 6.45 2.01 -1.25 -2.94 115.64 123.62 1q53 s THR 70 Ca 0.21 -0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.20 1q53 s THR 70 Cb -0.11 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1q53 s THR 70 CO 0.12 0.55 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.15 1q53 s PHE 71 N -0.38 2.62 -0.30 4.92 0.08 -1.26 -4.09 117.98 119.57 1q53 s PHE 71 Ca 0.09 -0.23 0.20 0.00 0.12 0.00 0.00 56.93 57.10 1q53 s PHE 71 Cb -0.12 -1.26 0.48 0.00 -0.57 0.00 0.00 43.02 41.55 1q53 s PHE 71 CO 0.02 0.54 1.01 -0.85 -0.10 0.00 0.00 175.22 175.84 1q53 n GLU 72 N -0.11 1.38 0.00 0.44 0.28 -1.26 -3.76 120.64 117.61 1q53 n GLU 72 Ca -0.10 -3.36 0.00 0.00 -0.16 0.00 0.00 57.16 53.54 1q53 n GLU 72 Cb 0.56 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 32.04 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 -0.27 0.00 0.00 -1.84 2.88 -1.26 -4.97 113.62 108.16 1q53 n SER 73 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1q53 n SER 73 Cb 0.81 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 1q53 n SER 73 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1q53 n LYS 74 N 0.00 0.00 0.20 -1.46 4.81 -1.26 -4.03 118.16 116.42 1q53 n LYS 74 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1q53 n LYS 74 Cb 0.00 0.00 0.42 0.00 0.02 0.00 0.00 35.03 35.47 1q53 n LYS 74 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1q53 h GLU 75 N 0.00 0.02 -0.17 1.64 5.08 -2.02 -2.21 114.58 116.92 1q53 h GLU 75 Ca 0.00 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1q53 h GLU 75 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1q53 h GLU 75 CO 0.00 0.30 -0.60 0.00 -1.00 0.00 0.00 179.01 177.70 1q53 h ALA 76 N 1.71 0.63 -0.52 3.43 0.00 -1.94 -2.73 119.26 119.84 1q53 h ALA 76 Ca 0.00 -0.54 0.15 0.00 0.00 0.00 0.00 54.91 54.52 1q53 h ALA 76 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1q53 h ALA 76 CO 0.04 0.70 0.56 -0.24 0.00 0.00 0.00 179.25 180.31 1q53 h VAL 77 N 0.43 0.32 -0.04 0.00 3.04 -1.72 1.18 116.25 119.45 1q53 h VAL 77 Ca -0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1q53 h VAL 77 Cb 1.17 0.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1q53 h VAL 77 CO 0.11 0.00 -0.01 0.00 -1.01 0.00 0.00 177.57 176.67 1q53 h ALA 78 N 1.36 1.91 -0.32 3.17 0.00 -1.52 -1.30 119.26 122.56 1q53 h ALA 78 Ca 0.25 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1q53 h ALA 78 Cb 1.37 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1q53 h ALA 78 CO -0.00 0.07 -0.36 0.93 0.00 0.00 0.00 179.25 179.89 1q53 h GLU 79 N 0.06 0.81 -0.56 0.00 5.08 0.13 -1.93 114.58 118.17 1q53 h GLU 79 Ca 0.02 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1q53 h GLU 79 Cb 0.06 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1q53 h GLU 79 CO 0.00 1.08 0.36 -0.92 -1.00 0.00 0.00 179.01 178.53 1q53 h TYR 80 N 0.59 0.72 0.00 4.33 3.20 -1.25 -0.44 116.97 124.12 1q53 h TYR 80 Ca 0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1q53 h TYR 80 Cb 0.95 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1q53 h TYR 80 CO 0.07 0.47 0.00 0.82 -1.64 0.00 0.00 178.16 177.88 1q53 h ILE 81 N 0.76 0.00 -0.56 1.81 2.04 -1.35 -1.94 117.51 118.26 1q53 h ILE 81 Ca 0.20 -0.43 -0.16 0.00 1.00 0.00 0.00 64.86 65.47 1q53 h ILE 81 Cb -0.06 1.34 -0.10 0.00 -0.74 0.00 0.00 36.82 37.27 1q53 h ILE 81 CO -0.04 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.31 1q53 n ALA 82 N -1.97 4.08 -2.74 1.87 0.00 -0.20 -4.87 120.51 116.69 1q53 n ALA 82 Ca 0.01 -1.75 -0.36 0.00 0.00 0.00 0.00 53.44 51.34 1q53 n ALA 82 Cb 0.29 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.39 3.25 0.20 0.00 5.04 -0.73 -4.97 115.29 115.68 1q53 s HIS 83 Ca 0.42 0.07 0.05 0.00 -1.54 0.00 0.00 55.06 54.06 1q53 s HIS 83 Cb 0.33 -2.25 0.09 0.00 0.04 0.00 0.00 32.58 30.80 1q53 s HIS 83 CO 0.10 -0.03 1.45 -1.00 -2.34 0.00 0.00 174.74 172.92 1q53 h PRO 84 N 7.64 0.14 -0.10 2.88 0.13 -1.89 0.36 132.00 141.16 1q53 h PRO 84 Ca -0.37 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1q53 h PRO 84 Cb 1.17 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1q53 h PRO 84 CO 0.63 0.85 0.05 0.00 -0.23 0.00 0.00 178.00 179.31 1q53 h ALA 85 N 1.10 0.13 -0.19 -0.56 0.00 -1.96 0.51 119.26 118.29 1q53 h ALA 85 Ca -0.02 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1q53 h ALA 85 Cb 1.38 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1q53 h ALA 85 CO 0.11 -0.32 -0.63 1.25 0.00 0.00 0.00 179.25 179.67 1q53 h HIS 86 N 0.05 1.00 -0.51 0.00 -0.00 -1.90 -2.91 115.15 110.88 1q53 h HIS 86 Ca 0.04 -0.41 0.04 0.00 -0.00 0.00 0.00 60.37 60.04 1q53 h HIS 86 Cb 0.10 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 1q53 h HIS 86 CO -0.04 1.23 0.27 0.28 -0.00 0.00 0.00 177.93 179.67 1q53 h VAL 87 N 0.49 0.98 -0.58 5.26 2.07 -0.74 0.82 116.25 124.55 1q53 h VAL 87 Ca -0.02 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.39 1q53 h VAL 87 Cb 1.25 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1q53 h VAL 87 CO 0.13 0.10 0.24 -0.08 0.02 0.00 0.00 177.57 177.98 1q53 h GLU 88 N 0.53 0.44 -0.10 1.57 4.81 0.05 1.47 114.58 123.35 1q53 h GLU 88 Ca 0.22 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 1q53 h GLU 88 Cb 0.10 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1q53 h GLU 88 CO -0.14 0.29 -0.66 0.35 -0.73 0.00 0.00 179.01 178.12 1q53 h PHE 89 N 0.45 0.51 -0.27 0.92 3.57 -1.13 -2.49 116.94 118.50 1q53 h PHE 89 Ca 0.28 -0.21 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1q53 h PHE 89 Cb 0.29 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1q53 h PHE 89 CO -0.14 0.94 -0.34 0.00 -2.23 0.00 0.00 178.31 176.54 1q53 h ALA 90 N 1.01 0.40 -0.51 2.41 0.00 0.17 -1.25 119.26 121.51 1q53 h ALA 90 Ca -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1q53 h ALA 90 Cb 1.21 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1q53 h ALA 90 CO 0.11 0.46 0.29 1.15 0.00 0.00 0.00 179.25 181.26 1q53 h THR 91 N 0.44 1.04 -0.43 0.00 2.02 0.20 1.20 112.91 117.38 1q53 h THR 91 Ca 0.03 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 1q53 h THR 91 Cb 0.92 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1q53 h THR 91 CO 0.08 0.11 -0.05 0.40 0.37 0.00 0.00 175.52 176.43 1q53 h ILE 92 N 0.58 1.24 -0.04 3.11 2.04 -1.39 0.18 117.51 123.24 1q53 h ILE 92 Ca 0.21 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 1q53 h ILE 92 Cb 0.04 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1q53 h ILE 92 CO -0.10 0.36 -0.07 0.15 0.00 0.00 0.00 178.15 178.48 1q53 h PHE 93 N 0.68 0.15 0.00 1.37 3.57 -0.17 -2.80 116.94 119.73 1q53 h PHE 93 Ca 0.13 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1q53 h PHE 93 Cb 0.49 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1q53 h PHE 93 CO 0.02 0.65 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.63 1q53 h LEU 94 N -0.40 0.00 -0.54 0.59 3.38 0.15 0.15 115.31 118.65 1q53 h LEU 94 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q53 h LEU 94 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1q53 h LEU 94 CO 0.02 0.06 0.00 1.23 0.09 0.00 0.00 178.44 179.84 1q53 h GLY 95 N 0.30 0.00 -1.00 0.83 0.00 -0.82 -2.92 103.07 99.45 1q53 h GLY 95 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1q53 h GLY 95 CO 0.01 0.00 -0.09 1.44 0.00 0.00 0.00 176.54 177.90 1q53 n SER 96 N -2.72 2.72 -4.39 0.19 7.64 0.44 -4.98 113.62 112.52 1q53 n SER 96 Ca 0.03 -3.33 -0.33 0.00 1.01 0.00 0.00 58.87 56.26 1q53 n SER 96 Cb 0.38 -0.52 -0.14 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.99 2.65 0.02 -3.43 1.02 -0.68 -4.44 118.68 110.83 1q53 s LEU 97 Ca 0.38 -0.31 -0.23 0.00 0.02 0.00 0.00 54.13 54.00 1q53 s LEU 97 Cb 0.34 -1.57 -0.13 0.00 0.02 0.00 0.00 46.19 44.85 1q53 s LEU 97 CO 0.03 0.23 1.16 -0.78 0.02 0.00 0.00 176.35 177.00 1q53 h ASP 98 N 6.24 -0.69 -4.11 2.29 3.58 0.18 -3.45 116.42 120.45 1q53 h ASP 98 Ca -0.32 0.02 -0.60 0.00 0.42 0.00 0.00 57.03 56.55 1q53 h ASP 98 Cb 1.19 0.18 -0.22 0.00 1.72 0.00 0.00 39.33 42.20 1q53 h ASP 98 CO 0.53 -0.43 -0.84 -0.54 -2.88 0.00 0.00 179.24 175.08 1q53 s LYS 99 N -4.49 1.24 -0.17 0.28 1.02 -1.12 -4.93 119.74 111.57 1q53 s LYS 99 Ca -0.12 -1.20 -0.04 0.00 0.02 0.00 0.00 55.97 54.63 1q53 s LYS 99 Cb 0.01 -1.56 0.08 0.00 -0.52 0.00 0.00 37.83 35.84 1q53 s LYS 99 CO 0.36 0.37 0.19 0.14 -0.92 0.00 0.00 175.35 175.49 1q53 s VAL 100 N -1.10 -0.28 -0.07 3.17 -7.23 -1.26 -1.85 120.40 111.78 1q53 s VAL 100 Ca 0.09 -0.02 0.01 0.00 -1.81 0.00 0.00 61.98 60.25 1q53 s VAL 100 Cb -0.10 -0.58 0.02 0.00 0.56 0.00 0.00 36.38 36.29 1q53 s VAL 100 CO 0.05 -0.14 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.40 1q53 s LEU 101 N 2.29 1.32 -0.19 1.32 1.98 -1.11 -5.07 118.68 119.22 1q53 s LEU 101 Ca 0.05 -0.23 -0.11 0.00 -2.89 0.00 0.00 54.13 50.95 1q53 s LEU 101 Cb -0.15 -0.68 -0.05 0.00 0.66 0.00 0.00 46.19 45.97 1q53 s LEU 101 CO -0.10 -0.06 0.19 0.54 -1.89 0.00 0.00 176.35 175.03 1q53 s VAL 102 N 1.16 5.37 0.01 1.68 0.11 -1.26 -2.97 120.40 124.49 1q53 s VAL 102 Ca -0.06 0.32 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1q53 s VAL 102 Cb -0.14 -3.53 -0.01 0.00 -1.53 0.00 0.00 36.38 31.17 1q53 s VAL 102 CO -0.02 0.41 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.51 1q53 s ILE 103 N 0.48 0.18 -0.06 7.04 -1.09 -0.48 -5.04 121.20 122.23 1q53 s ILE 103 Ca 0.11 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.10 1q53 s ILE 103 Cb -0.12 -0.23 -0.02 0.00 -1.58 0.00 0.00 42.46 40.51 1q53 s ILE 103 CO 0.01 -0.19 -0.17 -0.62 -1.23 0.00 0.00 174.94 172.74 1q53 s ASP 104 N -0.69 3.75 -0.10 3.58 -1.08 -1.26 -0.67 116.67 120.20 1q53 s ASP 104 Ca -0.06 -0.30 0.03 0.00 -0.52 0.00 0.00 52.55 51.69 1q53 s ASP 104 Cb -0.05 -0.93 0.01 0.00 -1.46 0.00 0.00 42.92 40.49 1q53 s ASP 104 CO -0.00 0.29 -0.18 -0.47 0.52 0.00 0.00 175.17 175.33 1q53 s TYR 105 N -0.42 2.07 0.04 -5.34 6.14 0.35 -4.87 117.35 115.31 1q53 s TYR 105 Ca 0.05 -0.90 0.09 0.00 0.64 0.00 0.00 57.07 56.95 1q53 s TYR 105 Cb -0.12 -1.45 -0.03 0.00 0.42 0.00 0.00 41.96 40.78 1q53 s TYR 105 CO 0.02 -0.42 -0.24 0.15 0.64 0.00 0.00 175.55 175.69 1q53 s LYS 106 N 0.70 1.90 -0.82 4.97 1.02 -1.26 -1.54 119.74 124.71 1q53 s LYS 106 Ca -0.12 -1.06 -0.25 0.00 0.02 0.00 0.00 55.97 54.55 1q53 s LYS 106 Cb -0.16 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1q53 s LYS 106 CO 0.03 0.52 1.63 -1.25 -0.92 0.00 0.00 175.35 175.36 1q53 s PRO 107 N -1.21 3.00 -0.52 -1.68 0.04 -1.26 -4.85 135.00 128.52 1q53 s PRO 107 Ca 0.12 -0.25 0.07 0.00 0.04 0.00 0.00 61.00 60.98 1q53 s PRO 107 Cb -0.10 -4.73 0.27 0.00 0.04 0.00 0.00 34.50 29.98 1q53 s PRO 107 CO 0.02 -2.60 0.69 2.41 0.04 0.00 0.00 177.00 177.56 1q53 n THR 108 N 7.07 1.16 -2.00 1.26 -1.04 -1.26 -5.09 114.28 114.38 1q53 n THR 108 Ca 0.24 -4.79 -0.31 0.00 -2.04 0.00 0.00 64.05 57.15 1q53 n THR 108 Cb 0.50 -1.80 0.01 0.00 -1.82 0.00 0.00 70.33 67.22 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 -2.15 6.26 -0.05 8.00 1.04 -1.26 -5.05 113.70 120.49 1q53 s SER 109 Ca 0.39 1.37 -0.13 0.00 0.48 0.00 0.00 55.95 58.05 1q53 s SER 109 Cb 0.19 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 1q53 s SER 109 CO -0.07 -0.82 0.35 -0.69 0.98 0.00 0.00 173.24 173.00 1q53 s VAL 110 N -3.09 5.16 -0.03 5.02 1.01 -1.26 -5.05 120.40 122.17 1q53 s VAL 110 Ca 0.54 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 1q53 s VAL 110 Cb -0.11 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1q53 s VAL 110 CO 0.52 0.55 1.19 -0.94 0.00 0.00 0.00 175.10 176.42 1q53 s SER 111 N -0.79 7.07 0.00 3.32 1.04 -1.26 -5.35 113.70 117.73 1q53 s SER 111 Ca 0.21 1.86 0.04 0.00 0.48 0.00 0.00 55.95 58.54 1q53 s SER 111 Cb -0.15 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.44 1q53 s SER 111 CO 0.10 -0.55 0.63 0.00 0.98 0.00 0.00 173.24 174.41