#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u37 s PHE 18 N 0.00 3.70 0.00 -0.32 5.36 -1.26 -0.61 117.98 124.85 1u37 s PHE 18 Ca 0.00 0.99 -0.09 0.00 -0.96 0.00 0.00 56.93 56.87 1u37 s PHE 18 Cb 0.00 -2.34 0.01 0.00 -0.34 0.00 0.00 43.02 40.34 1u37 s PHE 18 CO 0.00 0.56 0.18 -1.59 -1.46 0.00 0.00 175.22 172.90 1u37 s LYS 19 N -0.79 0.54 -1.13 10.12 0.00 -0.83 -4.98 119.74 122.67 1u37 s LYS 19 Ca 0.24 -0.38 -0.07 0.00 0.00 0.00 0.00 55.97 55.76 1u37 s LYS 19 Cb -0.17 0.23 0.27 0.00 0.00 0.00 0.00 37.83 38.16 1u37 s LYS 19 CO 0.13 -0.14 1.45 -0.25 0.00 0.00 0.00 175.35 176.55 1u37 n ASP 20 N 1.35 5.93 -4.69 0.03 8.00 -1.26 -1.95 116.55 123.96 1u37 n ASP 20 Ca -0.22 -3.25 -0.43 0.00 0.71 0.00 0.00 54.79 51.60 1u37 n ASP 20 Cb 0.56 -1.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.28 1u37 n ASP 20 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1u37 n VAL 21 N 2.17 0.32 -3.89 2.53 0.31 -0.19 -4.81 118.33 114.76 1u37 n VAL 21 Ca 0.28 -0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 64.21 1u37 n VAL 21 Cb 0.36 -2.07 -0.13 0.00 -0.91 0.00 0.00 33.84 31.09 1u37 n VAL 21 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1u37 s PHE 22 N 2.53 3.51 -0.50 3.52 2.19 -1.22 -0.73 117.98 127.28 1u37 s PHE 22 Ca 0.82 -2.38 -0.16 0.00 0.33 0.00 0.00 56.93 55.53 1u37 s PHE 22 Cb -0.50 -2.73 0.09 0.00 -1.31 0.00 0.00 43.02 38.57 1u37 s PHE 22 CO 0.37 -0.91 0.46 0.42 1.83 0.00 0.00 175.22 177.40 1u37 s ILE 23 N 1.12 5.17 -0.25 3.12 -1.09 -0.12 -4.65 121.20 124.49 1u37 s ILE 23 Ca 0.04 -1.13 -0.15 0.00 -2.23 0.00 0.00 60.65 57.17 1u37 s ILE 23 Cb -0.21 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 1u37 s ILE 23 CO -0.04 -0.71 0.39 -0.70 -1.23 0.00 0.00 174.94 172.65 1u37 s GLU 24 N 1.78 4.06 0.07 2.79 -6.30 -1.26 0.19 118.70 120.03 1u37 s GLU 24 Ca 0.05 0.11 0.01 0.00 -2.50 0.00 0.00 54.97 52.65 1u37 s GLU 24 Cb -0.25 -3.63 -0.01 0.00 0.00 0.00 0.00 34.13 30.24 1u37 s GLU 24 CO 0.06 -0.23 0.05 0.36 0.02 0.00 0.00 175.26 175.52 1u37 n LYS 25 N 5.17 0.19 -3.97 4.30 2.85 -0.80 -4.86 118.16 121.04 1u37 n LYS 25 Ca -0.08 -0.67 -0.36 0.00 -1.05 0.00 0.00 58.31 56.15 1u37 n LYS 25 Cb 0.51 0.53 -0.07 0.00 -0.65 0.00 0.00 35.03 35.34 1u37 n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1u37 s GLN 26 N -2.28 3.46 -0.01 -1.58 1.11 -1.26 -4.14 119.66 114.95 1u37 s GLN 26 Ca 0.08 -0.20 -0.38 0.00 0.01 0.00 0.00 55.36 54.86 1u37 s GLN 26 Cb 0.00 -3.14 -0.16 0.00 -1.01 0.00 0.00 33.01 28.70 1u37 s GLN 26 CO 0.05 0.69 1.46 1.63 0.01 0.00 0.00 175.29 179.13 1u37 n LYS 27 N 2.26 1.18 -0.01 2.91 5.02 -1.26 -1.51 118.16 126.75 1u37 n LYS 27 Ca -0.19 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1u37 n LYS 27 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 1u37 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u37 n GLY 28 N 3.01 1.00 3.03 0.72 0.00 0.27 -4.93 105.19 108.28 1u37 n GLY 28 Ca 0.21 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1u37 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u37 s GLU 29 N -0.68 1.73 0.52 1.61 0.41 0.52 -4.90 118.70 117.91 1u37 s GLU 29 Ca 0.00 -0.43 -0.17 0.00 -0.41 0.00 0.00 54.97 53.96 1u37 s GLU 29 Cb 0.00 -1.43 -0.07 0.00 -1.78 0.00 0.00 34.13 30.85 1u37 s GLU 29 CO 0.00 0.04 1.00 0.96 -0.49 0.00 0.00 175.26 176.77 1u37 s ILE 30 N 0.62 4.38 0.19 -1.63 -4.36 -1.26 -4.28 121.20 114.86 1u37 s ILE 30 Ca -0.14 1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 61.24 1u37 s ILE 30 Cb -0.16 -3.65 0.15 0.00 1.25 0.00 0.00 42.46 40.05 1u37 s ILE 30 CO 0.04 -0.62 1.61 0.25 0.24 0.00 0.00 174.94 176.46 1u37 h LEU 31 N 0.94 -0.83 0.00 0.37 6.46 -1.78 -3.40 115.31 117.06 1u37 h LEU 31 Ca -0.47 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1u37 h LEU 31 Cb 1.19 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 1u37 h LEU 31 CO 0.61 -0.26 0.00 0.61 -0.62 0.00 0.00 178.44 178.78 1u37 n GLY 32 N -1.42 0.77 3.89 3.75 0.00 -1.26 -0.95 105.19 109.97 1u37 n GLY 32 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1u37 n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u37 s VAL 33 N -2.00 5.11 -0.34 1.61 -7.23 -1.26 0.10 120.40 116.39 1u37 s VAL 33 Ca 0.00 0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.40 1u37 s VAL 33 Cb 0.00 -3.63 0.10 0.00 0.56 0.00 0.00 36.38 33.42 1u37 s VAL 33 CO 0.00 0.09 0.10 -0.69 -0.31 0.00 0.00 175.10 174.29 1u37 s VAL 34 N -1.61 1.49 0.15 1.32 1.01 0.40 -4.97 120.40 118.19 1u37 s VAL 34 Ca 0.40 -1.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.40 1u37 s VAL 34 Cb -0.12 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 1u37 s VAL 34 CO 0.22 -0.67 0.43 0.27 0.00 0.00 0.00 175.10 175.35 1u37 s ILE 35 N 1.19 5.09 0.28 2.22 -5.25 -1.25 0.18 121.20 123.66 1u37 s ILE 35 Ca 0.11 0.22 0.09 0.00 -0.99 0.00 0.00 60.65 60.09 1u37 s ILE 35 Cb -0.19 -3.63 -0.05 0.00 2.95 0.00 0.00 42.46 41.54 1u37 s ILE 35 CO -0.16 0.06 -0.13 0.68 -1.79 0.00 0.00 174.94 173.59 1u37 s VAL 36 N -1.65 2.09 -0.80 8.37 -7.23 0.13 -4.72 120.40 116.59 1u37 s VAL 36 Ca 0.41 -2.26 -0.22 0.00 -1.81 0.00 0.00 61.98 58.10 1u37 s VAL 36 Cb -0.12 -2.36 -0.18 0.00 0.56 0.00 0.00 36.38 34.27 1u37 s VAL 36 CO 0.23 -0.37 2.39 1.21 -0.31 0.00 0.00 175.10 178.24 1u37 n GLU 37 N -0.61 0.46 -1.65 4.82 0.00 -1.26 -0.54 120.64 121.87 1u37 n GLU 37 Ca -0.06 -0.39 -0.16 0.00 0.00 0.00 0.00 57.16 56.55 1u37 n GLU 37 Cb 0.62 -2.78 -0.10 0.00 0.00 0.00 0.00 31.44 29.18 1u37 n GLU 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1u37 s SER 38 N 8.41 3.74 -0.72 4.31 0.15 -1.25 -4.77 113.70 123.57 1u37 s SER 38 Ca 1.08 -0.73 0.03 0.00 0.70 0.00 0.00 55.95 57.03 1u37 s SER 38 Cb -0.43 -2.58 0.32 0.00 -1.71 0.00 0.00 66.02 61.62 1u37 s SER 38 CO 0.28 -4.32 1.14 0.61 1.20 0.00 0.00 173.24 172.15 1u37 n GLY 39 N 6.34 5.58 0.09 9.45 0.00 -1.26 -3.33 105.19 122.05 1u37 n GLY 39 Ca 0.43 -2.73 -0.01 0.00 0.00 0.00 0.00 46.02 43.71 1u37 n GLY 39 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1u37 n TRP 40 N 0.07 -0.82 -2.85 1.61 2.14 -1.26 -5.05 117.44 111.28 1u37 n TRP 40 Ca 0.34 -0.06 -0.42 0.00 2.07 0.00 0.00 57.50 59.43 1u37 n TRP 40 Cb 0.36 -0.01 0.01 0.00 -0.81 0.00 0.00 31.31 30.87 1u37 n TRP 40 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1u37 n GLY 41 N 4.85 5.58 3.64 -1.67 0.00 -1.26 -4.91 105.19 111.43 1u37 n GLY 41 Ca -0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 46.02 43.35 1u37 n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u37 s SER 42 N -1.61 -0.12 0.21 1.61 0.15 -1.26 -5.16 113.70 107.51 1u37 s SER 42 Ca 0.34 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1u37 s SER 42 Cb 0.11 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1u37 s SER 42 CO 0.01 -0.05 0.00 -0.38 1.20 0.00 0.00 173.24 174.02 1u37 n ILE 43 N 1.46 0.00 -2.52 6.45 -0.00 -1.26 -4.52 119.36 118.98 1u37 n ILE 43 Ca -0.09 0.04 -0.43 0.00 -0.00 0.00 0.00 62.75 62.27 1u37 n ILE 43 Cb 0.57 -0.32 -0.02 0.00 -0.00 0.00 0.00 39.64 39.87 1u37 n ILE 43 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1u37 s LEU 44 N -4.68 3.97 -0.13 1.39 2.34 -1.26 -4.96 118.68 115.34 1u37 s LEU 44 Ca 0.00 1.25 -0.33 0.00 0.06 0.00 0.00 54.13 55.10 1u37 s LEU 44 Cb 0.00 -3.54 -0.11 0.00 -0.56 0.00 0.00 46.19 41.98 1u37 s LEU 44 CO 0.00 -0.92 1.98 -2.65 -1.06 0.00 0.00 176.35 173.70 1u37 n PRO 45 N 6.96 2.06 0.05 1.48 -0.02 -1.26 -4.75 135.00 139.52 1u37 n PRO 45 Ca 0.13 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1u37 n PRO 45 Cb 0.46 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1u37 n PRO 45 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1u37 n THR 46 N 5.83 0.00 -3.65 3.45 5.66 -1.21 -4.09 114.28 120.27 1u37 n THR 46 Ca 0.26 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.17 1u37 n THR 46 Cb 0.32 -0.15 -0.02 0.00 -1.55 0.00 0.00 70.33 68.92 1u37 n THR 46 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1u37 s VAL 47 N -1.33 0.00 -0.12 1.08 -7.23 -1.26 -3.78 120.40 107.76 1u37 s VAL 47 Ca 0.00 -0.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.62 1u37 s VAL 47 Cb 0.00 -1.52 0.06 0.00 0.56 0.00 0.00 36.38 35.48 1u37 s VAL 47 CO 0.00 0.00 0.18 -0.63 -0.31 0.00 0.00 175.10 174.34 1u37 s ILE 48 N -3.81 -0.28 -0.42 -0.62 1.01 0.30 -3.77 121.20 113.61 1u37 s ILE 48 Ca 0.06 0.20 -0.28 0.00 0.00 0.00 0.00 60.65 60.63 1u37 s ILE 48 Cb -0.03 -0.42 -0.29 0.00 0.01 0.00 0.00 42.46 41.72 1u37 s ILE 48 CO -0.03 0.03 1.77 -0.38 0.00 0.00 0.00 174.94 176.34 1u37 n ILE 49 N 5.32 0.46 0.02 2.92 5.41 -0.81 0.18 119.36 132.86 1u37 n ILE 49 Ca -0.05 -0.43 0.22 0.00 1.00 0.00 0.00 62.75 63.50 1u37 n ILE 49 Cb 0.50 -2.07 0.71 0.00 -0.71 0.00 0.00 39.64 38.06 1u37 n ILE 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u37 h ALA 50 N 9.91 2.31 -2.50 -1.39 0.00 -0.59 0.56 119.26 127.55 1u37 h ALA 50 Ca 0.24 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1u37 h ALA 50 Cb 0.77 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1u37 h ALA 50 CO 1.78 -0.86 0.42 0.54 0.00 0.00 0.00 179.25 181.13 1u37 s ASN 51 N -5.05 -0.25 -0.15 0.00 4.22 -1.07 -4.71 114.94 107.93 1u37 s ASN 51 Ca -0.04 -0.35 -0.19 0.00 -2.14 0.00 0.00 52.86 50.14 1u37 s ASN 51 Cb 0.16 0.52 0.05 0.00 1.28 0.00 0.00 41.25 43.26 1u37 s ASN 51 CO 0.56 -0.94 0.50 -0.32 -2.04 0.00 0.00 177.10 174.86 1u37 s MET 52 N -3.41 0.66 0.30 3.55 1.75 -1.26 -0.45 119.30 120.44 1u37 s MET 52 Ca 0.10 0.54 -0.28 0.00 -1.25 0.00 0.00 55.69 54.80 1u37 s MET 52 Cb -0.02 0.32 -0.13 0.00 2.84 0.00 0.00 34.83 37.83 1u37 s MET 52 CO 0.00 -0.11 1.18 -0.12 -0.65 0.00 0.00 175.02 175.32 1u37 n MET 53 N 2.39 1.77 -2.36 4.11 1.56 0.12 -4.85 117.12 119.86 1u37 n MET 53 Ca -0.15 0.62 -0.43 0.00 -0.27 0.00 0.00 57.70 57.47 1u37 n MET 53 Cb 0.56 -2.12 0.00 0.00 2.15 0.00 0.00 33.22 33.82 1u37 n MET 53 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1u37 n HIS 54 N 0.47 4.29 0.00 1.12 -0.00 -1.26 -3.48 115.22 116.37 1u37 n HIS 54 Ca 0.08 -2.92 0.00 0.00 0.46 0.00 0.00 57.72 55.33 1u37 n HIS 54 Cb 0.34 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.66 1u37 n HIS 54 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1u37 n GLY 55 N 4.79 1.85 2.96 1.57 0.00 -1.26 -5.08 105.19 110.01 1u37 n GLY 55 Ca 0.48 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 1u37 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u37 n GLY 56 N 0.00 -3.48 0.29 -0.02 0.00 -1.23 -4.01 105.19 96.75 1u37 n GLY 56 Ca 0.00 -1.13 0.10 0.00 0.00 0.00 0.00 46.02 44.99 1u37 n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u37 h PRO 57 N 0.00 0.22 -0.31 1.61 0.11 -1.69 0.49 132.00 132.43 1u37 h PRO 57 Ca -0.33 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1u37 h PRO 57 Cb 1.11 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1u37 h PRO 57 CO 0.20 0.15 0.14 0.00 -0.21 0.00 0.00 178.00 178.27 1u37 h ALA 58 N 1.72 0.37 -0.04 -0.75 0.00 -1.37 -0.33 119.26 118.86 1u37 h ALA 58 Ca 0.49 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.30 1u37 h ALA 58 Cb 0.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1u37 h ALA 58 CO -0.61 -0.25 -0.53 1.49 0.00 0.00 0.00 179.25 179.35 1u37 h GLU 59 N 0.30 0.10 -0.14 0.00 4.81 -1.25 -3.16 114.58 115.23 1u37 h GLU 59 Ca 0.13 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1u37 h GLU 59 Cb 0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1u37 h GLU 59 CO -0.10 0.61 0.07 0.87 -0.73 0.00 0.00 179.01 179.72 1u37 h LYS 60 N 0.08 0.21 -0.66 1.92 1.57 0.67 -2.51 116.57 117.84 1u37 h LYS 60 Ca -0.00 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 1u37 h LYS 60 Cb 0.96 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 1u37 h LYS 60 CO 0.07 0.26 0.47 1.03 -0.57 0.00 0.00 179.45 180.71 1u37 h SER 61 N 0.10 0.10 -0.63 0.86 0.87 -1.05 -3.45 113.55 110.36 1u37 h SER 61 Ca 0.05 0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.36 1u37 h SER 61 Cb 0.12 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 61.97 1u37 h SER 61 CO -0.01 0.05 -0.24 0.61 -0.53 0.00 0.00 176.83 176.72 1u37 n GLY 62 N -1.62 1.32 0.67 5.77 0.00 -0.95 -4.85 105.19 105.53 1u37 n GLY 62 Ca 0.13 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1u37 n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u37 n LYS 63 N -2.62 0.19 -2.79 1.61 4.76 -1.26 -4.98 118.16 113.06 1u37 n LYS 63 Ca -0.13 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 54.97 1u37 n LYS 63 Cb 0.42 -0.84 -0.03 0.00 -1.84 0.00 0.00 35.03 32.73 1u37 n LYS 63 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1u37 s LEU 64 N -6.40 4.08 -0.03 -0.35 1.43 -1.26 -5.04 118.68 111.11 1u37 s LEU 64 Ca -0.12 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.20 1u37 s LEU 64 Cb 0.05 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1u37 s LEU 64 CO 0.16 -0.60 -0.25 0.54 0.23 0.00 0.00 176.35 176.42 1u37 s ASN 65 N 1.32 3.07 0.02 2.29 2.20 -1.26 -4.62 114.94 117.96 1u37 s ASN 65 Ca 0.39 -0.48 -0.33 0.00 -0.94 0.00 0.00 52.86 51.50 1u37 s ASN 65 Cb -0.15 -0.52 -0.17 0.00 -2.00 0.00 0.00 41.25 38.41 1u37 s ASN 65 CO 0.07 0.29 0.87 -0.38 -2.94 0.00 0.00 177.10 175.01 1u37 n ILE 66 N 2.62 0.18 -0.18 0.54 5.41 -1.26 -1.36 119.36 125.30 1u37 n ILE 66 Ca -0.17 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1u37 n ILE 66 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 1u37 n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u37 n GLY 67 N 1.33 0.73 3.67 7.39 0.00 0.19 -4.99 105.19 113.51 1u37 n GLY 67 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1u37 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u37 s ASP 68 N -2.55 7.04 -1.26 1.61 1.01 -0.46 -4.69 116.67 117.37 1u37 s ASP 68 Ca 0.00 1.59 -0.19 0.00 0.71 0.00 0.00 52.55 54.66 1u37 s ASP 68 Cb 0.00 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.44 1u37 s ASP 68 CO 0.00 -0.68 1.73 -1.58 0.21 0.00 0.00 175.17 174.85 1u37 s GLN 69 N 3.07 3.82 0.46 8.23 0.74 -0.40 -1.93 119.66 133.65 1u37 s GLN 69 Ca 0.51 -1.83 -0.24 0.00 0.05 0.00 0.00 55.36 53.84 1u37 s GLN 69 Cb -0.20 -5.49 -0.08 0.00 1.10 0.00 0.00 33.01 28.34 1u37 s GLN 69 CO 0.13 -2.40 1.29 -0.89 -0.55 0.00 0.00 175.29 172.87 1u37 n ILE 70 N 6.57 2.89 -0.08 -2.34 5.41 -1.25 0.12 119.36 130.69 1u37 n ILE 70 Ca 0.47 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.60 1u37 n ILE 70 Cb 0.47 -1.59 -0.07 0.00 -0.71 0.00 0.00 39.64 37.73 1u37 n ILE 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1u37 n MET 71 N -0.25 0.37 -3.57 0.38 2.81 0.18 -4.03 117.12 113.02 1u37 n MET 71 Ca 0.08 0.10 -0.14 0.00 -1.81 0.00 0.00 57.70 55.93 1u37 n MET 71 Cb 0.41 -1.26 -0.05 0.00 -0.71 0.00 0.00 33.22 31.61 1u37 n MET 71 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1u37 s SER 72 N -5.67 -0.44 -0.16 7.83 1.04 -0.27 0.11 113.70 116.15 1u37 s SER 72 Ca -0.21 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.39 1u37 s SER 72 Cb 0.06 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.69 1u37 s SER 72 CO 0.34 -0.74 -0.21 -0.63 0.98 0.00 0.00 173.24 172.98 1u37 s ILE 73 N -2.56 2.04 -0.78 -1.02 1.01 -0.13 -0.30 121.20 119.46 1u37 s ILE 73 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1u37 s ILE 73 Cb -0.01 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1u37 s ILE 73 CO -0.03 0.54 0.00 0.59 0.00 0.00 0.00 174.94 176.05 1u37 n ASN 74 N 4.34 -2.93 0.00 3.58 3.02 0.17 0.55 115.26 123.99 1u37 n ASN 74 Ca -0.20 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1u37 n ASN 74 Cb 0.51 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.09 1u37 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u37 n GLY 75 N -0.62 1.06 3.06 7.41 0.00 -1.21 -4.90 105.19 109.98 1u37 n GLY 75 Ca -0.10 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1u37 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u37 s THR 76 N -2.00 2.99 0.23 2.61 2.01 0.19 -5.08 115.64 116.58 1u37 s THR 76 Ca 0.00 -2.55 -0.31 0.00 0.31 0.00 0.00 61.69 59.13 1u37 s THR 76 Cb 0.00 -3.06 -0.14 0.00 0.01 0.00 0.00 72.50 69.31 1u37 s THR 76 CO 0.00 -0.73 1.29 -1.20 -0.69 0.00 0.00 174.62 173.29 1u37 n SER 77 N 4.00 2.16 -0.67 3.53 7.64 -1.26 -0.96 113.62 128.06 1u37 n SER 77 Ca 0.03 1.15 0.07 0.00 1.01 0.00 0.00 58.87 61.13 1u37 n SER 77 Cb 0.39 -1.35 0.11 0.00 -1.01 0.00 0.00 64.21 62.36 1u37 n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1u37 n LEU 78 N 1.96 2.59 -4.66 -3.43 4.77 0.31 -4.87 117.00 113.66 1u37 n LEU 78 Ca 0.12 -1.39 -0.41 0.00 -0.03 0.00 0.00 56.01 54.30 1u37 n LEU 78 Cb 0.29 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1u37 n LEU 78 CO 0.62 0.56 0.60 -0.69 -1.33 0.00 0.00 177.39 177.15 1u37 s VAL 79 N -1.12 4.88 0.00 4.08 1.01 -1.25 -3.65 120.40 124.35 1u37 s VAL 79 Ca 0.22 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1u37 s VAL 79 Cb 0.13 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1u37 s VAL 79 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1u37 n GLY 80 N 3.58 3.32 3.70 4.51 0.00 -1.26 -5.05 105.19 113.99 1u37 n GLY 80 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1u37 n GLY 80 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1u37 s LEU 81 N 0.00 4.21 0.00 0.99 2.34 -1.24 -5.08 118.68 119.90 1u37 s LEU 81 Ca 0.00 0.57 -0.10 0.00 0.06 0.00 0.00 54.13 54.67 1u37 s LEU 81 Cb 0.00 -2.51 0.15 0.00 -0.56 0.00 0.00 46.19 43.28 1u37 s LEU 81 CO 0.00 -0.00 0.34 -2.65 -1.06 0.00 0.00 176.35 172.98 1u37 n PRO 82 N 4.01 -1.63 0.02 1.48 -0.02 -1.26 -4.68 135.00 132.91 1u37 n PRO 82 Ca -0.09 -0.58 -0.07 0.00 -2.02 0.00 0.00 63.50 60.74 1u37 n PRO 82 Cb 0.51 -1.00 0.12 0.00 -0.02 0.00 0.00 33.50 33.11 1u37 n PRO 82 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1u37 h LEU 83 N 0.00 0.52 -0.63 2.45 5.85 -1.95 -3.00 115.31 118.55 1u37 h LEU 83 Ca -0.16 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.42 1u37 h LEU 83 Cb 0.53 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1u37 h LEU 83 CO 0.09 0.90 0.23 0.28 -0.34 0.00 0.00 178.44 179.60 1u37 h SER 84 N 0.39 0.21 -0.13 1.25 0.02 -1.98 0.23 113.55 113.55 1u37 h SER 84 Ca 0.03 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1u37 h SER 84 Cb 0.94 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 1u37 h SER 84 CO 0.08 0.12 0.02 0.74 -1.14 0.00 0.00 176.83 176.65 1u37 h THR 85 N 0.40 1.21 -0.10 -2.27 2.02 -1.86 -2.32 112.91 109.99 1u37 h THR 85 Ca 0.32 -0.68 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1u37 h THR 85 Cb 0.42 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1u37 h THR 85 CO -0.33 0.20 -0.06 0.00 0.37 0.00 0.00 175.52 175.70 1u37 h GLN 87 N -0.06 0.57 -0.09 0.00 1.08 -0.54 0.18 115.11 116.24 1u37 h GLN 87 Ca 0.06 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1u37 h GLN 87 Cb 0.16 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1u37 h GLN 87 CO -0.14 0.38 -0.18 1.03 -0.95 0.00 0.00 178.83 178.97 1u37 h SER 88 N 0.59 0.14 -0.11 1.46 0.87 -0.78 0.22 113.55 115.93 1u37 h SER 88 Ca 0.41 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.80 1u37 h SER 88 Cb 0.53 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1u37 h SER 88 CO -0.33 0.33 -0.40 0.40 -0.53 0.00 0.00 176.83 176.30 1u37 h ILE 89 N 0.14 1.29 0.07 2.23 2.04 0.75 0.18 117.51 124.22 1u37 h ILE 89 Ca 0.03 -1.57 -0.26 0.00 1.00 0.00 0.00 64.86 64.06 1u37 h ILE 89 Cb 0.40 1.51 0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1u37 h ILE 89 CO 0.03 0.50 -1.05 0.40 0.00 0.00 0.00 178.15 178.02 1u37 h ILE 90 N 0.53 1.32 -0.58 -0.67 2.04 -0.70 -3.13 117.51 116.33 1u37 h ILE 90 Ca 0.05 -2.35 -0.09 0.00 1.00 0.00 0.00 64.86 63.46 1u37 h ILE 90 Cb 0.92 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.63 1u37 h ILE 90 CO 0.08 0.71 -0.01 0.11 0.00 0.00 0.00 178.15 179.04 1u37 h LYS 91 N 0.18 1.01 0.00 2.37 6.56 -0.53 -2.32 116.57 123.85 1u37 h LYS 91 Ca -0.15 -0.32 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 1u37 h LYS 91 Cb 1.74 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 33.31 1u37 h LYS 91 CO 0.20 1.00 0.00 0.41 -2.06 0.00 0.00 179.45 179.00 1u37 n GLY 92 N -0.46 -1.05 2.02 3.86 0.00 0.64 -2.95 105.19 107.25 1u37 n GLY 92 Ca 0.03 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1u37 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u37 n LEU 93 N -1.62 6.65 0.07 0.99 4.77 -0.87 -4.34 117.00 122.65 1u37 n LEU 93 Ca 0.03 -3.53 -0.09 0.00 -0.03 0.00 0.00 56.01 52.39 1u37 n LEU 93 Cb 0.18 -0.95 -0.12 0.00 -2.33 0.00 0.00 43.42 40.19 1u37 n LEU 93 CO 0.15 1.22 0.07 0.50 -1.33 0.00 0.00 177.39 177.99 1u37 h LYS 94 N 1.45 0.06 -2.13 3.23 3.64 -1.71 -3.36 116.57 117.74 1u37 h LYS 94 Ca 0.43 -0.10 -0.57 0.00 -1.27 0.00 0.00 60.65 59.14 1u37 h LYS 94 Cb 1.23 0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 32.68 1u37 h LYS 94 CO 1.03 1.02 -0.81 0.09 -2.27 0.00 0.00 179.45 178.51 1u37 n ASN 95 N -3.37 2.55 0.00 4.20 3.02 -1.26 0.20 115.26 120.59 1u37 n ASN 95 Ca -0.03 -3.23 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1u37 n ASN 95 Cb 0.96 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1u37 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u37 n GLN 96 N 0.75 0.71 -0.91 3.52 1.13 -1.26 -4.84 117.38 116.49 1u37 n GLN 96 Ca 0.27 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 1u37 n GLN 96 Cb 0.47 -0.97 0.00 0.00 0.11 0.00 0.00 30.24 29.85 1u37 n GLN 96 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1u37 n SER 97 N -2.34 -1.13 -3.59 1.08 2.88 -1.26 -4.93 113.62 104.33 1u37 n SER 97 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1u37 n SER 97 Cb 0.47 -0.84 -0.06 0.00 -0.75 0.00 0.00 64.21 63.03 1u37 n SER 97 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1u37 s ARG 98 N -0.34 0.66 -0.25 -1.46 0.52 -1.21 -1.90 118.95 114.98 1u37 s ARG 98 Ca 0.00 0.41 -0.04 0.00 -0.52 0.00 0.00 55.73 55.58 1u37 s ARG 98 Cb 0.00 0.32 0.09 0.00 0.52 0.00 0.00 34.95 35.87 1u37 s ARG 98 CO 0.00 -0.16 0.12 0.08 0.02 0.00 0.00 175.30 175.37 1u37 s VAL 99 N -0.50 -0.09 -1.21 3.52 1.01 0.13 -4.87 120.40 118.40 1u37 s VAL 99 Ca -0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1u37 s VAL 99 Cb -0.02 -0.84 0.20 0.00 0.00 0.00 0.00 36.38 35.71 1u37 s VAL 99 CO 0.00 -0.57 1.50 0.29 0.00 0.00 0.00 175.10 176.32 1u37 n LYS 100 N 5.26 3.54 -4.03 2.72 5.02 -1.24 -0.95 118.16 128.48 1u37 n LYS 100 Ca -0.06 -3.92 -0.35 0.00 -2.02 0.00 0.00 58.31 51.96 1u37 n LYS 100 Cb 0.44 -2.90 -0.11 0.00 -0.02 0.00 0.00 35.03 32.44 1u37 n LYS 100 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1u37 s LEU 101 N 0.41 3.53 -0.19 -0.35 2.34 0.09 0.43 118.68 124.93 1u37 s LEU 101 Ca 0.39 -0.08 -0.21 0.00 0.06 0.00 0.00 54.13 54.30 1u37 s LEU 101 Cb -0.00 -1.90 -0.02 0.00 -0.56 0.00 0.00 46.19 43.70 1u37 s LEU 101 CO -0.00 0.10 0.64 0.20 -1.06 0.00 0.00 176.35 176.23 1u37 s ASN 102 N 0.80 6.70 0.33 1.48 -0.87 0.59 -1.03 114.94 122.95 1u37 s ASN 102 Ca 0.02 0.86 0.08 0.00 -1.57 0.00 0.00 52.86 52.25 1u37 s ASN 102 Cb -0.14 -2.35 -0.06 0.00 -0.02 0.00 0.00 41.25 38.67 1u37 s ASN 102 CO 0.02 -0.27 -0.06 0.27 -2.57 0.00 0.00 177.10 174.49 1u37 s ILE 103 N 1.88 1.96 0.08 0.60 -4.36 -0.82 0.52 121.20 121.05 1u37 s ILE 103 Ca 0.29 -2.14 0.09 0.00 -0.26 0.00 0.00 60.65 58.63 1u37 s ILE 103 Cb -0.16 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 1u37 s ILE 103 CO 0.11 -0.19 -0.23 -0.69 0.24 0.00 0.00 174.94 174.17 1u37 s VAL 104 N -2.79 1.92 0.00 8.37 1.01 0.12 -1.97 120.40 127.06 1u37 s VAL 104 Ca 0.32 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1u37 s VAL 104 Cb 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1u37 s VAL 104 CO 0.15 0.14 0.20 0.54 0.00 0.00 0.00 175.10 176.13