#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 2.49 -0.14 -0.32 0.40 -1.26 -1.31 117.98 117.84 1u37 s PHE 18 Ca 0.00 1.49 -0.04 0.00 -0.60 0.00 0.00 56.93 57.78 1u37 s PHE 18 Cb 0.00 -3.53 0.06 0.00 0.51 0.00 0.00 43.02 40.06 1u37 s PHE 18 CO 0.00 -2.20 0.16 0.21 0.70 0.00 0.00 175.22 174.09 1u37 s LYS 19 N -3.07 0.08 -1.23 0.44 2.20 -0.69 -4.92 119.74 112.56 1u37 s LYS 19 Ca 0.73 0.31 -0.20 0.00 -0.36 0.00 0.00 55.97 56.45 1u37 s LYS 19 Cb -0.32 -0.90 -0.01 0.00 -1.51 0.00 0.00 37.83 35.08 1u37 s LYS 19 CO 0.37 -0.49 1.88 -0.25 -0.36 0.00 0.00 175.35 176.49 1u37 n ASP 20 N 5.31 3.93 -4.68 1.43 9.92 -1.26 -1.50 116.55 129.70 1u37 n ASP 20 Ca -0.05 -2.81 -0.42 0.00 -0.53 0.00 0.00 54.79 50.98 1u37 n ASP 20 Cb 0.50 -1.68 -0.03 0.00 -0.64 0.00 0.00 41.12 39.27 1u37 n ASP 20 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1u37 s VAL 21 N 6.77 3.53 -0.36 2.53 1.01 -0.32 -4.87 120.40 128.68 1u37 s VAL 21 Ca 0.59 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 63.40 1u37 s VAL 21 Cb 0.04 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.97 1u37 s VAL 21 CO 0.09 -0.03 0.11 0.12 0.00 0.00 0.00 175.10 175.39 1u37 s PHE 22 N 3.04 3.53 -0.49 5.22 2.19 -1.23 -0.71 117.98 129.54 1u37 s PHE 22 Ca 0.69 -2.39 -0.15 0.00 0.33 0.00 0.00 56.93 55.41 1u37 s PHE 22 Cb -0.34 -2.85 0.09 0.00 -1.31 0.00 0.00 43.02 38.62 1u37 s PHE 22 CO 0.28 -0.92 0.41 0.42 1.83 0.00 0.00 175.22 177.24 1u37 s ILE 23 N 1.12 5.07 -0.09 3.12 -1.09 -0.52 -4.72 121.20 124.10 1u37 s ILE 23 Ca 0.05 -1.28 -0.17 0.00 -2.23 0.00 0.00 60.65 57.02 1u37 s ILE 23 Cb -0.21 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.50 1u37 s ILE 23 CO -0.04 -0.68 0.43 -1.61 -1.23 0.00 0.00 174.94 171.81 1u37 s GLU 24 N 1.59 4.22 0.35 2.79 2.02 -1.26 -0.06 118.70 128.35 1u37 s GLU 24 Ca 0.04 0.39 -0.03 0.00 0.02 0.00 0.00 54.97 55.38 1u37 s GLU 24 Cb -0.26 -3.38 0.01 0.00 0.10 0.00 0.00 34.13 30.61 1u37 s GLU 24 CO 0.05 0.32 0.52 0.36 0.02 0.00 0.00 175.26 176.52 1u37 n LYS 25 N 3.14 0.75 -3.26 1.61 2.85 -0.03 -4.84 118.16 118.38 1u37 n LYS 25 Ca -0.10 -2.71 -0.39 0.00 -1.05 0.00 0.00 58.31 54.07 1u37 n LYS 25 Cb 0.52 2.68 -0.06 0.00 -0.65 0.00 0.00 35.03 37.52 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 -2.71 4.22 -0.03 -1.58 1.11 -1.26 -4.17 119.66 115.24 1u37 s GLN 26 Ca 0.27 0.74 -0.37 0.00 0.01 0.00 0.00 55.36 56.01 1u37 s GLN 26 Cb -0.01 -3.25 -0.15 0.00 -1.01 0.00 0.00 33.01 28.58 1u37 s GLN 26 CO 0.20 0.61 1.55 1.63 0.01 0.00 0.00 175.29 179.29 1u37 n LYS 27 N 1.81 1.40 -0.00 2.91 5.02 -1.26 -1.41 118.16 126.62 1u37 n LYS 27 Ca -0.10 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1u37 n LYS 27 Cb 0.51 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 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 3.33 1.00 3.06 0.72 0.00 0.15 -4.90 105.19 108.55 1u37 n GLY 28 Ca 0.21 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.53 1.82 0.44 1.61 0.41 0.46 -4.88 118.70 118.04 1u37 s GLU 29 Ca 0.00 -0.49 -0.18 0.00 -0.41 0.00 0.00 54.97 53.89 1u37 s GLU 29 Cb 0.00 -1.50 -0.10 0.00 -1.78 0.00 0.00 34.13 30.75 1u37 s GLU 29 CO 0.00 0.09 0.92 0.96 -0.49 0.00 0.00 175.26 176.74 1u37 s ILE 30 N 0.50 4.49 0.19 -1.63 -4.36 -1.26 -3.89 121.20 115.24 1u37 s ILE 30 Ca -0.13 1.29 -0.18 0.00 -0.26 0.00 0.00 60.65 61.37 1u37 s ILE 30 Cb -0.15 -3.65 0.15 0.00 1.25 0.00 0.00 42.46 40.06 1u37 s ILE 30 CO 0.04 -0.43 1.61 0.25 0.24 0.00 0.00 174.94 176.65 1u37 h LEU 31 N 1.60 -0.82 0.00 0.37 6.46 -1.76 -3.43 115.31 117.74 1u37 h LEU 31 Ca -0.48 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1u37 h LEU 31 Cb 1.18 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1u37 h LEU 31 CO 0.62 -0.26 0.00 0.61 -0.62 0.00 0.00 178.44 178.79 1u37 n GLY 32 N -1.42 1.20 3.61 3.75 0.00 -1.26 -2.23 105.19 108.85 1u37 n GLY 32 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 3.95 -0.38 1.61 -7.23 -1.26 -0.14 120.40 114.94 1u37 s VAL 33 Ca 0.00 -0.38 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 1u37 s VAL 33 Cb 0.00 -2.64 0.11 0.00 0.56 0.00 0.00 36.38 34.41 1u37 s VAL 33 CO 0.00 0.59 0.12 -0.69 -0.31 0.00 0.00 175.10 174.82 1u37 s VAL 34 N -0.76 2.61 0.08 1.32 1.01 0.20 -4.96 120.40 119.89 1u37 s VAL 34 Ca 0.12 -2.40 -0.07 0.00 0.00 0.00 0.00 61.98 59.63 1u37 s VAL 34 Cb -0.11 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1u37 s VAL 34 CO 0.02 -0.65 0.36 0.27 0.00 0.00 0.00 175.10 175.09 1u37 s ILE 35 N 0.81 5.17 0.22 2.22 -5.25 -1.25 0.24 121.20 123.36 1u37 s ILE 35 Ca 0.11 0.24 0.10 0.00 -0.99 0.00 0.00 60.65 60.10 1u37 s ILE 35 Cb -0.21 -3.62 -0.05 0.00 2.95 0.00 0.00 42.46 41.54 1u37 s ILE 35 CO -0.06 0.23 -0.18 0.68 -1.79 0.00 0.00 174.94 173.82 1u37 s VAL 36 N -1.46 2.05 -0.69 8.37 -7.23 0.97 -4.71 120.40 117.70 1u37 s VAL 36 Ca 0.34 -2.19 -0.25 0.00 -1.81 0.00 0.00 61.98 58.07 1u37 s VAL 36 Cb -0.13 -2.09 -0.13 0.00 0.56 0.00 0.00 36.38 34.59 1u37 s VAL 36 CO 0.20 -0.43 2.43 1.21 -0.31 0.00 0.00 175.10 178.20 1u37 n GLU 37 N -0.25 0.67 -1.68 4.82 2.13 -1.26 0.31 120.64 125.38 1u37 n GLU 37 Ca -0.09 -0.29 -0.42 0.00 0.66 0.00 0.00 57.16 57.02 1u37 n GLU 37 Cb 0.59 -3.11 -0.03 0.00 0.27 0.00 0.00 31.44 29.17 1u37 n GLU 37 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1u37 n SER 38 N 15.41 4.12 -0.05 4.31 3.41 -1.26 -4.85 113.62 134.72 1u37 n SER 38 Ca 0.46 0.94 0.01 0.00 -0.26 0.00 0.00 58.87 60.02 1u37 n SER 38 Cb 0.41 -1.54 0.01 0.00 -0.26 0.00 0.00 64.21 62.84 1u37 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u37 n GLY 39 N 4.40 0.10 3.36 5.00 0.00 -1.26 -3.75 105.19 113.05 1u37 n GLY 39 Ca 0.19 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.29 -3.86 -2.87 1.61 2.14 -1.26 -4.93 117.44 107.98 1u37 n TRP 40 Ca 0.01 -0.93 -0.43 0.00 2.07 0.00 0.00 57.50 58.22 1u37 n TRP 40 Cb 0.44 -1.17 0.01 0.00 -0.81 0.00 0.00 31.31 29.78 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 -5.07 4.90 3.61 -1.67 0.00 -1.26 -4.92 105.19 100.78 1u37 n GLY 41 Ca 0.15 -2.49 -0.06 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.61 -0.18 0.28 1.61 0.15 -1.26 -5.16 113.70 108.53 1u37 s SER 42 Ca 0.34 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1u37 s SER 42 Cb 0.04 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1u37 s SER 42 CO 0.06 -0.18 0.00 -0.38 1.20 0.00 0.00 173.24 173.94 1u37 n ILE 43 N 0.50 0.00 -3.22 6.45 -0.00 -1.26 -4.47 119.36 117.35 1u37 n ILE 43 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.31 1u37 n ILE 43 Cb 0.58 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.15 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 0.00 4.18 0.14 1.39 2.34 -1.26 -5.03 118.68 120.45 1u37 s LEU 44 Ca 0.00 0.27 -0.34 0.00 0.06 0.00 0.00 54.13 54.11 1u37 s LEU 44 Cb 0.00 -2.65 -0.16 0.00 -0.56 0.00 0.00 46.19 42.83 1u37 s LEU 44 CO 0.00 -0.40 1.32 -2.65 -1.06 0.00 0.00 176.35 173.56 1u37 n PRO 45 N 5.68 1.39 0.18 1.48 -0.02 -1.26 -4.76 135.00 137.69 1u37 n PRO 45 Ca -0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1u37 n PRO 45 Cb 0.49 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.23 0.00 -3.46 3.45 5.66 -1.25 -4.42 114.28 116.50 1u37 n THR 46 Ca 0.16 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.03 1u37 n THR 46 Cb 0.24 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.98 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 -1.82 0.00 -0.09 1.08 -7.23 -1.26 -4.03 120.40 107.06 1u37 s VAL 47 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.14 1u37 s VAL 47 Cb 0.00 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.98 1u37 s VAL 47 CO 0.00 0.00 0.07 -0.63 -0.31 0.00 0.00 175.10 174.23 1u37 s ILE 48 N -2.85 -0.08 -0.26 -0.62 1.01 0.15 -3.56 121.20 114.99 1u37 s ILE 48 Ca -0.03 0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.55 1u37 s ILE 48 Cb -0.01 -0.31 -0.33 0.00 0.01 0.00 0.00 42.46 41.82 1u37 s ILE 48 CO -0.05 0.03 1.71 -0.38 0.00 0.00 0.00 174.94 176.24 1u37 n ILE 49 N 5.29 0.25 -0.32 2.92 5.41 -0.33 -0.02 119.36 132.56 1u37 n ILE 49 Ca -0.04 -0.23 0.08 0.00 1.00 0.00 0.00 62.75 63.55 1u37 n ILE 49 Cb 0.50 -2.04 0.28 0.00 -0.71 0.00 0.00 39.64 37.66 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 9.97 1.60 -2.29 -1.39 0.00 -0.54 0.59 119.26 127.21 1u37 h ALA 50 Ca 0.24 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.86 1u37 h ALA 50 Cb 0.74 -0.20 -0.15 0.00 0.00 0.00 0.00 17.79 18.18 1u37 h ALA 50 CO 1.89 0.18 -0.65 -0.80 0.00 0.00 0.00 179.25 179.86 1u37 s ASN 51 N -5.82 1.24 -0.29 0.00 0.02 -0.70 -4.66 114.94 104.73 1u37 s ASN 51 Ca -0.11 -1.21 -0.15 0.00 -1.02 0.00 0.00 52.86 50.36 1u37 s ASN 51 Cb 0.21 0.12 0.14 0.00 0.02 0.00 0.00 41.25 41.75 1u37 s ASN 51 CO 0.80 -0.59 0.91 -0.32 0.02 0.00 0.00 177.10 177.92 1u37 s MET 52 N -3.93 0.42 -0.31 -0.60 -2.45 -1.26 -0.63 119.30 110.54 1u37 s MET 52 Ca 0.27 0.83 -0.41 0.00 -1.25 0.00 0.00 55.69 55.12 1u37 s MET 52 Cb 0.06 0.26 -0.16 0.00 1.25 0.00 0.00 34.83 36.24 1u37 s MET 52 CO 0.06 -0.11 1.74 -0.12 1.05 0.00 0.00 175.02 177.65 1u37 n MET 53 N 4.29 1.04 -1.46 4.11 1.56 0.80 -4.76 117.12 122.70 1u37 n MET 53 Ca -0.16 0.38 -0.33 0.00 -0.27 0.00 0.00 57.70 57.32 1u37 n MET 53 Cb 0.56 -2.05 -0.08 0.00 2.15 0.00 0.00 33.22 33.80 1u37 n MET 53 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1u37 n HIS 54 N 5.32 1.75 0.00 1.12 8.25 -1.26 -1.78 115.22 128.62 1u37 n HIS 54 Ca 0.27 -1.21 0.00 0.00 -0.26 0.00 0.00 57.72 56.52 1u37 n HIS 54 Cb 0.11 -2.05 0.00 0.00 1.12 0.00 0.00 29.99 29.17 1u37 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u37 n GLY 55 N 5.33 1.32 0.76 -1.41 0.00 -1.26 -5.08 105.19 104.85 1u37 n GLY 55 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.99 0.27 -0.02 0.00 -0.73 -4.13 105.19 97.58 1u37 n GLY 56 Ca 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 46.02 44.69 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 0.11 -0.10 1.61 0.11 -1.78 0.86 132.00 132.81 1u37 h PRO 57 Ca -0.09 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.03 1u37 h PRO 57 Cb 0.29 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1u37 h PRO 57 CO 0.06 0.07 -0.00 0.00 -0.21 0.00 0.00 178.00 177.92 1u37 h ALA 58 N 1.68 0.08 0.00 -0.75 0.00 -1.76 -1.99 119.26 116.52 1u37 h ALA 58 Ca 0.40 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1u37 h ALA 58 Cb 0.69 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1u37 h ALA 58 CO -0.64 -0.46 -0.34 1.49 0.00 0.00 0.00 179.25 179.30 1u37 h GLU 59 N 0.03 0.00 -0.14 0.00 4.81 -1.43 -3.17 114.58 114.67 1u37 h GLU 59 Ca 0.05 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1u37 h GLU 59 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1u37 h GLU 59 CO -0.08 0.34 0.09 0.87 -0.73 0.00 0.00 179.01 179.50 1u37 h LYS 60 N 0.00 0.19 -0.23 1.92 1.79 0.14 -2.09 116.57 118.29 1u37 h LYS 60 Ca -0.00 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.51 1u37 h LYS 60 Cb 0.87 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1u37 h LYS 60 CO 0.04 0.17 0.16 1.03 -1.08 0.00 0.00 179.45 179.78 1u37 h SER 61 N 0.16 0.01 -0.61 0.86 0.87 -1.38 -3.46 113.55 110.01 1u37 h SER 61 Ca 0.05 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 1u37 h SER 61 Cb 0.03 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1u37 h SER 61 CO -0.01 0.01 -0.13 0.61 -0.53 0.00 0.00 176.83 176.77 1u37 n GLY 62 N -1.58 0.43 0.90 5.77 0.00 -0.79 -4.91 105.19 105.01 1u37 n GLY 62 Ca 0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.10 0.08 -2.47 1.61 5.02 -1.26 -5.01 118.16 114.02 1u37 n LYS 63 Ca -0.07 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 1u37 n LYS 63 Cb 0.40 -0.63 -0.03 0.00 -0.02 0.00 0.00 35.03 34.75 1u37 n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u37 s LEU 64 N -6.62 4.27 -0.18 -0.35 1.43 -1.26 -5.01 118.68 110.97 1u37 s LEU 64 Ca -0.05 1.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.83 1u37 s LEU 64 Cb 0.01 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1u37 s LEU 64 CO 0.06 -0.58 0.00 0.54 0.23 0.00 0.00 176.35 176.60 1u37 s ASN 65 N 1.47 2.82 0.00 2.29 2.20 -1.26 -4.51 114.94 117.95 1u37 s ASN 65 Ca 0.55 -0.73 0.00 0.00 -0.94 0.00 0.00 52.86 51.74 1u37 s ASN 65 Cb -0.24 -0.71 0.00 0.00 -2.00 0.00 0.00 41.25 38.30 1u37 s ASN 65 CO 0.22 -0.26 0.00 -0.38 -2.94 0.00 0.00 177.10 173.74 1u37 n ILE 66 N 4.98 0.00 0.00 0.54 5.41 -1.26 -2.76 119.36 126.27 1u37 n ILE 66 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1u37 n ILE 66 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.40 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 0.00 1.03 3.73 7.39 0.00 0.21 -4.96 105.19 112.58 1u37 n GLY 67 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.98 7.18 -1.18 1.61 1.01 -1.11 -4.67 116.67 118.53 1u37 s ASP 68 Ca 0.00 2.07 -0.15 0.00 0.71 0.00 0.00 52.55 55.18 1u37 s ASP 68 Cb 0.00 -2.59 0.16 0.00 1.01 0.00 0.00 42.92 41.50 1u37 s ASP 68 CO 0.00 -0.32 1.42 -1.58 0.21 0.00 0.00 175.17 174.90 1u37 s GLN 69 N 0.17 4.03 0.47 8.23 0.74 -0.84 -1.19 119.66 131.28 1u37 s GLN 69 Ca 0.53 -2.46 -0.23 0.00 0.05 0.00 0.00 55.36 53.25 1u37 s GLN 69 Cb -0.29 -5.08 -0.09 0.00 1.10 0.00 0.00 33.01 28.65 1u37 s GLN 69 CO 0.33 -1.80 1.01 -0.89 -0.55 0.00 0.00 175.29 173.39 1u37 n ILE 70 N 4.81 2.73 -0.06 -2.34 5.41 -1.23 0.37 119.36 129.04 1u37 n ILE 70 Ca 0.36 -0.50 -0.10 0.00 1.00 0.00 0.00 62.75 63.51 1u37 n ILE 70 Cb 0.44 -1.18 -0.06 0.00 -0.71 0.00 0.00 39.64 38.13 1u37 n ILE 70 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1u37 n MET 71 N -0.14 0.31 -3.44 0.38 1.56 -0.05 -4.14 117.12 111.61 1u37 n MET 71 Ca 0.10 0.08 -0.13 0.00 -0.27 0.00 0.00 57.70 57.49 1u37 n MET 71 Cb 0.41 -1.21 -0.03 0.00 2.15 0.00 0.00 33.22 34.55 1u37 n MET 71 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1u37 s SER 72 N -5.39 -0.57 -0.13 6.12 0.01 -0.79 0.61 113.70 113.55 1u37 s SER 72 Ca -0.17 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.17 1u37 s SER 72 Cb 0.05 0.59 0.02 0.00 0.21 0.00 0.00 66.02 66.89 1u37 s SER 72 CO 0.29 -0.92 -0.14 -0.63 0.41 0.00 0.00 173.24 172.25 1u37 s ILE 73 N -3.44 1.47 -0.90 1.44 1.01 -0.39 -0.88 121.20 119.50 1u37 s ILE 73 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1u37 s ILE 73 Cb -0.01 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1u37 s ILE 73 CO -0.10 0.44 0.00 0.59 0.00 0.00 0.00 174.94 175.87 1u37 n ASN 74 N 4.61 -3.10 0.00 3.58 3.02 0.25 0.29 115.26 123.90 1u37 n ASN 74 Ca -0.17 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1u37 n ASN 74 Cb 0.50 -2.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 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 -0.57 0.94 3.10 7.41 0.00 -1.25 -4.97 105.19 109.85 1u37 n GLY 75 Ca -0.11 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 3.43 0.07 2.61 2.01 0.14 -5.07 115.64 116.84 1u37 s THR 76 Ca 0.00 -2.47 -0.33 0.00 0.31 0.00 0.00 61.69 59.20 1u37 s THR 76 Cb 0.00 -3.31 -0.12 0.00 0.01 0.00 0.00 72.50 69.08 1u37 s THR 76 CO 0.00 -0.77 1.75 -1.54 -0.69 0.00 0.00 174.62 173.37 1u37 n SER 77 N 4.09 3.49 -0.34 3.53 3.41 -1.26 -1.27 113.62 125.27 1u37 n SER 77 Ca 0.02 1.02 0.13 0.00 -0.26 0.00 0.00 58.87 59.78 1u37 n SER 77 Cb 0.40 -1.44 0.39 0.00 -0.26 0.00 0.00 64.21 63.29 1u37 n SER 77 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u37 n LEU 78 N 5.13 1.27 -4.70 1.04 4.77 0.20 -4.79 117.00 119.92 1u37 n LEU 78 Ca 0.19 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 1u37 n LEU 78 Cb 0.32 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1u37 n LEU 78 CO 0.67 0.23 0.69 -0.69 -1.33 0.00 0.00 177.39 176.96 1u37 s VAL 79 N -2.35 4.86 0.00 4.08 1.01 -1.25 -3.41 120.40 123.34 1u37 s VAL 79 Ca 0.28 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.26 1u37 s VAL 79 Cb 0.20 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1u37 s VAL 79 CO 0.47 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1u37 n GLY 80 N 2.98 3.37 3.89 4.51 0.00 -1.26 -5.04 105.19 113.63 1u37 n GLY 80 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 4.39 0.00 0.99 2.34 -1.22 -5.10 118.68 120.07 1u37 s LEU 81 Ca 0.00 0.45 -0.15 0.00 0.06 0.00 0.00 54.13 54.49 1u37 s LEU 81 Cb 0.00 -2.23 0.23 0.00 -0.56 0.00 0.00 46.19 43.63 1u37 s LEU 81 CO 0.00 0.37 0.62 -0.81 -1.06 0.00 0.00 176.35 175.47 1u37 n PRO 82 N 1.70 -3.31 0.08 1.48 -0.04 -1.26 -4.82 135.00 128.83 1u37 n PRO 82 Ca -0.17 -1.02 -0.04 0.00 -0.04 0.00 0.00 63.50 62.22 1u37 n PRO 82 Cb 0.54 -1.16 0.15 0.00 -0.04 0.00 0.00 33.50 32.99 1u37 n PRO 82 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1u37 h LEU 83 N 0.00 0.29 -0.87 1.53 5.85 -1.96 -3.08 115.31 117.08 1u37 h LEU 83 Ca -0.26 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.41 1u37 h LEU 83 Cb 0.84 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 1u37 h LEU 83 CO 0.16 0.77 0.52 0.77 -0.34 0.00 0.00 178.44 180.31 1u37 h SER 84 N 0.21 0.76 0.04 1.25 4.64 -1.98 0.24 113.55 118.70 1u37 h SER 84 Ca 0.00 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1u37 h SER 84 Cb 1.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1u37 h SER 84 CO 0.08 0.44 -0.02 0.74 -0.87 0.00 0.00 176.83 177.20 1u37 h THR 85 N 0.87 1.25 -0.25 2.95 2.02 -1.89 -2.31 112.91 115.56 1u37 h THR 85 Ca 0.41 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1u37 h THR 85 Cb 0.35 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 1u37 h THR 85 CO -0.24 0.23 0.05 0.00 0.37 0.00 0.00 175.52 175.93 1u37 h GLN 87 N 0.14 0.23 -0.31 0.00 1.08 -0.56 0.15 115.11 115.83 1u37 h GLN 87 Ca 0.11 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1u37 h GLN 87 Cb 0.11 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1u37 h GLN 87 CO -0.15 0.15 0.21 0.77 -0.95 0.00 0.00 178.83 178.86 1u37 h SER 88 N 0.24 0.28 -0.20 1.46 0.02 -0.89 0.17 113.55 114.62 1u37 h SER 88 Ca 0.23 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1u37 h SER 88 Cb 0.29 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1u37 h SER 88 CO -0.29 0.19 -0.08 0.40 -1.14 0.00 0.00 176.83 175.92 1u37 h ILE 89 N 0.32 1.30 -0.69 3.27 2.04 -0.04 0.23 117.51 123.95 1u37 h ILE 89 Ca 0.12 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 1u37 h ILE 89 Cb 0.10 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1u37 h ILE 89 CO -0.03 0.34 0.21 0.40 0.00 0.00 0.00 178.15 179.07 1u37 h ILE 90 N 0.12 1.26 -0.33 -0.67 2.04 -0.32 -1.97 117.51 117.63 1u37 h ILE 90 Ca 0.05 -0.89 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 1u37 h ILE 90 Cb 0.55 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1u37 h ILE 90 CO 0.03 0.34 -0.29 0.11 0.00 0.00 0.00 178.15 178.34 1u37 h LYS 91 N 1.01 0.69 0.00 2.37 1.57 -0.59 -2.37 116.57 119.25 1u37 h LYS 91 Ca 0.22 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1u37 h LYS 91 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1u37 h LYS 91 CO -0.01 0.90 0.00 0.41 -0.57 0.00 0.00 179.45 180.18 1u37 n GLY 92 N -0.17 -1.01 1.96 3.86 0.00 0.80 -3.40 105.19 107.22 1u37 n GLY 92 Ca -0.01 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.22 6.38 -0.00 0.99 4.77 -0.77 -4.35 117.00 122.79 1u37 n LEU 93 Ca 0.13 -3.37 -0.21 0.00 -0.03 0.00 0.00 56.01 52.53 1u37 n LEU 93 Cb 0.17 -0.92 -0.14 0.00 -2.33 0.00 0.00 43.42 40.20 1u37 n LEU 93 CO 0.17 1.15 -0.36 0.50 -1.33 0.00 0.00 177.39 177.52 1u37 h LYS 94 N 1.29 0.22 -2.29 3.23 3.64 -1.67 -3.30 116.57 117.69 1u37 h LYS 94 Ca 0.41 -0.37 -0.63 0.00 -1.27 0.00 0.00 60.65 58.79 1u37 h LYS 94 Cb 1.38 0.14 -0.40 0.00 -0.41 0.00 0.00 32.23 32.94 1u37 h LYS 94 CO 0.93 1.18 -0.37 0.27 -2.27 0.00 0.00 179.45 179.19 1u37 n ASN 95 N -4.00 4.85 -0.04 4.20 0.23 -1.26 0.17 115.26 119.41 1u37 n ASN 95 Ca -0.24 -3.66 -0.04 0.00 -0.53 0.00 0.00 54.58 50.11 1u37 n ASN 95 Cb 0.86 -0.67 -0.04 0.00 -2.08 0.00 0.00 39.78 37.84 1u37 n ASN 95 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u37 n GLN 96 N -0.06 1.48 0.00 -3.83 1.13 -1.26 -4.83 117.38 110.01 1u37 n GLN 96 Ca 0.33 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 1u37 n GLN 96 Cb 0.37 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.56 1u37 n GLN 96 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1u37 n SER 97 N -2.50 0.00 -3.56 1.08 7.64 -1.26 -4.95 113.62 110.07 1u37 n SER 97 Ca -0.12 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.64 1u37 n SER 97 Cb 0.68 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.83 1u37 n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u37 s ARG 98 N -0.51 0.69 -0.22 1.43 1.70 -1.24 -0.85 118.95 119.95 1u37 s ARG 98 Ca 0.00 0.10 -0.00 0.00 -0.47 0.00 0.00 55.73 55.35 1u37 s ARG 98 Cb 0.00 0.33 0.06 0.00 -0.57 0.00 0.00 34.95 34.77 1u37 s ARG 98 CO 0.00 -0.23 -0.03 0.08 -1.08 0.00 0.00 175.30 174.04 1u37 s VAL 99 N -1.42 1.20 -1.23 4.99 1.01 0.91 -4.88 120.40 120.99 1u37 s VAL 99 Ca -0.02 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1u37 s VAL 99 Cb -0.00 -1.54 0.19 0.00 0.00 0.00 0.00 36.38 35.02 1u37 s VAL 99 CO 0.01 -0.13 1.59 0.29 0.00 0.00 0.00 175.10 176.87 1u37 n LYS 100 N 4.80 3.55 -3.78 2.72 5.02 -1.25 -1.44 118.16 127.78 1u37 n LYS 100 Ca -0.11 -3.81 -0.36 0.00 -2.02 0.00 0.00 58.31 52.01 1u37 n LYS 100 Cb 0.45 -2.93 -0.13 0.00 -0.02 0.00 0.00 35.03 32.40 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 0.45 3.40 -0.42 -0.35 2.34 0.11 0.85 118.68 125.05 1u37 s LEU 101 Ca 0.40 -0.33 -0.24 0.00 0.06 0.00 0.00 54.13 54.02 1u37 s LEU 101 Cb 0.02 -1.88 0.02 0.00 -0.56 0.00 0.00 46.19 43.79 1u37 s LEU 101 CO 0.00 -0.06 0.85 0.20 -1.06 0.00 0.00 176.35 176.29 1u37 s ASN 102 N 1.57 6.51 0.50 1.48 0.02 -0.06 -1.18 114.94 123.77 1u37 s ASN 102 Ca 0.06 0.16 0.09 0.00 -1.02 0.00 0.00 52.86 52.14 1u37 s ASN 102 Cb -0.15 -2.42 0.05 0.00 0.02 0.00 0.00 41.25 38.75 1u37 s ASN 102 CO 0.02 -0.91 0.68 0.27 0.02 0.00 0.00 177.10 177.18 1u37 s ILE 103 N 3.43 2.57 -0.12 0.60 -4.36 -0.56 -0.87 121.20 121.89 1u37 s ILE 103 Ca 0.34 -0.99 0.02 0.00 -0.26 0.00 0.00 60.65 59.76 1u37 s ILE 103 Cb -0.12 -2.58 -0.00 0.00 1.25 0.00 0.00 42.46 41.01 1u37 s ILE 103 CO 0.22 0.00 -0.20 -0.69 0.24 0.00 0.00 174.94 174.51 1u37 s VAL 104 N -2.51 2.37 -0.79 8.37 1.01 0.16 -1.71 120.40 127.29 1u37 s VAL 104 Ca 0.58 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1u37 s VAL 104 Cb -0.08 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.40 1u37 s VAL 104 CO 0.36 0.54 0.70 0.54 0.00 0.00 0.00 175.10 177.24