#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 2.79 -0.18 4.31 0.40 -1.26 -0.98 117.98 123.05 1u37 s PHE 18 Ca 0.00 1.55 -0.04 0.00 -0.60 0.00 0.00 56.93 57.83 1u37 s PHE 18 Cb 0.00 -3.30 0.09 0.00 0.51 0.00 0.00 43.02 40.32 1u37 s PHE 18 CO 0.00 -1.46 0.30 0.15 0.70 0.00 0.00 175.22 174.91 1u37 s LYS 19 N -3.05 0.23 -1.24 0.44 1.02 -0.50 -4.94 119.74 111.70 1u37 s LYS 19 Ca 0.69 0.63 -0.19 0.00 0.02 0.00 0.00 55.97 57.11 1u37 s LYS 19 Cb -0.25 -0.33 -0.00 0.00 -0.52 0.00 0.00 37.83 36.73 1u37 s LYS 19 CO 0.29 -0.44 1.88 -0.25 -0.92 0.00 0.00 175.35 175.91 1u37 n ASP 20 N 5.35 4.02 -4.65 2.83 9.92 -1.26 -1.90 116.55 130.87 1u37 n ASP 20 Ca -0.06 -2.82 -0.42 0.00 -0.53 0.00 0.00 54.79 50.95 1u37 n ASP 20 Cb 0.50 -1.67 -0.03 0.00 -0.64 0.00 0.00 41.12 39.28 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 6.07 3.57 -0.38 2.53 1.01 -0.46 -4.88 120.40 127.85 1u37 s VAL 21 Ca 0.57 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.19 1u37 s VAL 21 Cb 0.05 -3.49 0.09 0.00 0.00 0.00 0.00 36.38 33.03 1u37 s VAL 21 CO 0.07 -0.13 0.15 0.12 0.00 0.00 0.00 175.10 175.31 1u37 s PHE 22 N 4.64 3.48 -0.51 5.22 2.19 -1.23 -0.87 117.98 130.91 1u37 s PHE 22 Ca 0.75 -2.18 -0.16 0.00 0.33 0.00 0.00 56.93 55.66 1u37 s PHE 22 Cb -0.31 -2.87 0.09 0.00 -1.31 0.00 0.00 43.02 38.62 1u37 s PHE 22 CO 0.30 -0.91 0.48 0.42 1.83 0.00 0.00 175.22 177.34 1u37 s ILE 23 N 1.20 5.15 -0.42 3.12 -1.09 -0.34 -4.72 121.20 124.09 1u37 s ILE 23 Ca 0.04 -1.13 -0.18 0.00 -2.23 0.00 0.00 60.65 57.16 1u37 s ILE 23 Cb -0.22 -4.24 0.02 0.00 -1.58 0.00 0.00 42.46 36.44 1u37 s ILE 23 CO -0.03 -0.74 0.45 -0.70 -1.23 0.00 0.00 174.94 172.70 1u37 s GLU 24 N 1.82 3.11 0.02 2.79 2.12 -1.26 -0.09 118.70 127.22 1u37 s GLU 24 Ca 0.06 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1u37 s GLU 24 Cb -0.25 -3.97 -0.00 0.00 0.26 0.00 0.00 34.13 30.17 1u37 s GLU 24 CO 0.06 -0.87 0.01 0.36 -0.54 0.00 0.00 175.26 174.28 1u37 n LYS 25 N 5.66 1.13 -3.94 4.30 2.85 -0.51 -4.93 118.16 122.72 1u37 n LYS 25 Ca -0.07 -0.20 -0.37 0.00 -1.05 0.00 0.00 58.31 56.62 1u37 n LYS 25 Cb 0.47 0.10 -0.06 0.00 -0.65 0.00 0.00 35.03 34.89 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 -2.09 3.41 -0.04 -1.58 1.11 -1.26 -4.16 119.66 115.05 1u37 s GLN 26 Ca 0.01 -0.17 -0.37 0.00 0.01 0.00 0.00 55.36 54.84 1u37 s GLN 26 Cb 0.00 -3.15 -0.15 0.00 -1.01 0.00 0.00 33.01 28.70 1u37 s GLN 26 CO 0.01 0.76 1.57 1.63 0.01 0.00 0.00 175.29 179.27 1u37 n LYS 27 N 2.05 1.44 0.00 2.91 5.02 -1.26 -1.50 118.16 126.81 1u37 n LYS 27 Ca -0.20 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1u37 n LYS 27 Cb 0.55 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 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 3.42 1.02 3.27 0.72 0.00 0.32 -4.91 105.19 109.03 1u37 n GLY 28 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.47 2.34 0.25 1.61 0.41 0.44 -4.91 118.70 118.37 1u37 s GLU 29 Ca 0.00 -0.89 -0.16 0.00 -0.41 0.00 0.00 54.97 53.52 1u37 s GLU 29 Cb 0.00 -2.07 -0.08 0.00 -1.78 0.00 0.00 34.13 30.20 1u37 s GLU 29 CO 0.00 0.43 0.68 0.96 -0.49 0.00 0.00 175.26 176.84 1u37 s ILE 30 N -0.29 4.70 0.24 -1.63 -4.36 -1.26 -4.01 121.20 114.59 1u37 s ILE 30 Ca 0.01 0.97 -0.05 0.00 -0.26 0.00 0.00 60.65 61.32 1u37 s ILE 30 Cb -0.12 -3.71 0.22 0.00 1.25 0.00 0.00 42.46 40.10 1u37 s ILE 30 CO 0.02 0.02 1.69 0.25 0.24 0.00 0.00 174.94 177.17 1u37 h LEU 31 N 2.87 0.05 0.00 0.37 5.85 -1.76 -3.39 115.31 119.30 1u37 h LEU 31 Ca -0.48 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1u37 h LEU 31 Cb 1.18 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1u37 h LEU 31 CO 0.66 -0.01 0.00 0.61 -0.34 0.00 0.00 178.44 179.36 1u37 n GLY 32 N -1.34 0.61 3.67 3.75 0.00 -1.26 -1.04 105.19 109.57 1u37 n GLY 32 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.42 5.20 -0.56 1.61 -7.23 -1.26 0.02 120.40 115.76 1u37 s VAL 33 Ca 0.00 0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 60.71 1u37 s VAL 33 Cb 0.00 -3.72 0.14 0.00 0.56 0.00 0.00 36.38 33.36 1u37 s VAL 33 CO 0.00 0.25 0.51 -0.69 -0.31 0.00 0.00 175.10 174.86 1u37 s VAL 34 N 1.30 5.08 0.17 1.32 1.01 -0.65 -4.96 120.40 123.67 1u37 s VAL 34 Ca 0.19 -1.68 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 1u37 s VAL 34 Cb -0.15 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 1u37 s VAL 34 CO 0.08 -0.87 0.41 0.27 0.00 0.00 0.00 175.10 174.98 1u37 s ILE 35 N 1.37 5.14 0.13 2.22 -5.25 -1.25 0.10 121.20 123.65 1u37 s ILE 35 Ca 0.05 0.04 0.04 0.00 -0.99 0.00 0.00 60.65 59.79 1u37 s ILE 35 Cb -0.27 -3.64 -0.04 0.00 2.95 0.00 0.00 42.46 41.46 1u37 s ILE 35 CO 0.01 -0.02 -0.10 0.68 -1.79 0.00 0.00 174.94 173.72 1u37 s VAL 36 N -1.73 1.03 -0.04 8.37 -7.23 0.11 -4.74 120.40 116.17 1u37 s VAL 36 Ca 0.42 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 1u37 s VAL 36 Cb -0.12 -1.71 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 1u37 s VAL 36 CO 0.25 -0.73 1.98 -1.61 -0.31 0.00 0.00 175.10 174.68 1u37 s GLU 37 N -3.55 3.91 0.37 4.82 2.02 -1.26 0.12 118.70 125.13 1u37 s GLU 37 Ca 0.13 2.40 -0.28 0.00 0.02 0.00 0.00 54.97 57.24 1u37 s GLU 37 Cb 0.02 -4.19 -0.11 0.00 0.10 0.00 0.00 34.13 29.95 1u37 s GLU 37 CO -0.01 -1.22 1.49 -1.54 0.02 0.00 0.00 175.26 174.01 1u37 s SER 38 N 5.18 6.35 -0.11 -0.19 1.04 -1.26 -4.86 113.70 119.85 1u37 s SER 38 Ca 0.89 3.04 0.24 0.00 0.48 0.00 0.00 55.95 60.59 1u37 s SER 38 Cb -0.39 -2.67 0.46 0.00 0.10 0.00 0.00 66.02 63.53 1u37 s SER 38 CO 0.38 -0.87 1.15 0.61 0.98 0.00 0.00 173.24 175.50 1u37 n GLY 39 N 0.57 1.62 0.28 7.32 0.00 -1.26 -4.71 105.19 109.02 1u37 n GLY 39 Ca 0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.00 -1.14 -3.02 1.61 2.14 -1.26 -5.07 117.44 110.70 1u37 n TRP 40 Ca 0.08 -0.18 -0.35 0.00 2.07 0.00 0.00 57.50 59.12 1u37 n TRP 40 Cb 1.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 31.31 31.44 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 4.51 5.40 3.54 -1.67 0.00 -1.26 -4.99 105.19 110.73 1u37 n GLY 41 Ca -0.00 -2.70 -0.14 0.00 0.00 0.00 0.00 46.02 43.18 1u37 n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u37 s SER 42 N -2.23 -0.50 0.29 1.61 0.01 -1.26 -5.15 113.70 106.47 1u37 s SER 42 Ca 0.39 0.49 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1u37 s SER 42 Cb 0.16 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1u37 s SER 42 CO -0.03 -0.50 0.00 -0.38 0.41 0.00 0.00 173.24 172.74 1u37 n ILE 43 N 0.70 0.00 -3.10 1.44 -0.00 -1.26 -4.47 119.36 112.67 1u37 n ILE 43 Ca -0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.19 1u37 n ILE 43 Cb 0.58 -0.08 -0.07 0.00 -0.00 0.00 0.00 39.64 40.08 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 4.30 0.13 1.39 2.34 -1.26 -5.02 118.68 120.56 1u37 s LEU 44 Ca 0.00 0.04 -0.35 0.00 0.06 0.00 0.00 54.13 53.88 1u37 s LEU 44 Cb 0.00 -2.79 -0.16 0.00 -0.56 0.00 0.00 46.19 42.68 1u37 s LEU 44 CO 0.00 -0.65 1.31 -2.65 -1.06 0.00 0.00 176.35 173.30 1u37 n PRO 45 N 6.13 1.27 0.19 1.48 -0.02 -1.26 -4.74 135.00 138.05 1u37 n PRO 45 Ca -0.01 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1u37 n PRO 45 Cb 0.48 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.25 0.00 -3.50 3.45 5.66 -1.26 -4.39 114.28 116.48 1u37 n THR 46 Ca 0.17 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 61.00 1u37 n THR 46 Cb 0.22 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.95 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 -1.95 0.00 -0.09 1.08 -7.23 -1.26 -4.32 120.40 106.63 1u37 s VAL 47 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1u37 s VAL 47 Cb 0.00 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.97 1u37 s VAL 47 CO 0.00 0.00 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.16 1u37 s ILE 48 N -1.74 0.48 -0.60 -0.62 1.01 0.33 -3.32 121.20 116.74 1u37 s ILE 48 Ca -0.08 -0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 1u37 s ILE 48 Cb -0.00 -0.66 -0.26 0.00 0.01 0.00 0.00 42.46 41.54 1u37 s ILE 48 CO 0.05 0.22 1.84 -0.38 0.00 0.00 0.00 174.94 176.67 1u37 n ILE 49 N 5.11 0.59 -0.12 2.92 5.41 -1.11 0.06 119.36 132.23 1u37 n ILE 49 Ca -0.08 -0.56 0.11 0.00 1.00 0.00 0.00 62.75 63.22 1u37 n ILE 49 Cb 0.50 -2.08 0.47 0.00 -0.71 0.00 0.00 39.64 37.81 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 10.03 1.96 -2.85 -1.39 0.00 -0.66 0.83 119.26 127.17 1u37 h ALA 50 Ca 0.21 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.70 1u37 h ALA 50 Cb 0.81 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.36 1u37 h ALA 50 CO 1.64 -0.10 -0.48 -0.80 0.00 0.00 0.00 179.25 179.52 1u37 s ASN 51 N -6.19 1.33 -0.30 0.00 0.01 -0.78 -4.68 114.94 104.33 1u37 s ASN 51 Ca -0.08 -1.66 -0.16 0.00 -0.71 0.00 0.00 52.86 50.25 1u37 s ASN 51 Cb 0.20 0.54 0.16 0.00 0.41 0.00 0.00 41.25 42.56 1u37 s ASN 51 CO 0.76 -1.05 1.02 -0.32 -1.51 0.00 0.00 177.10 176.00 1u37 s MET 52 N -3.53 0.28 0.11 -0.60 -2.45 -1.26 -1.64 119.30 110.21 1u37 s MET 52 Ca 0.39 0.64 -0.35 0.00 -1.25 0.00 0.00 55.69 55.12 1u37 s MET 52 Cb 0.03 0.31 -0.17 0.00 1.25 0.00 0.00 34.83 36.25 1u37 s MET 52 CO 0.24 -0.09 1.19 -0.12 1.05 0.00 0.00 175.02 177.30 1u37 n MET 53 N 4.57 0.91 -2.45 4.11 1.56 0.10 -4.81 117.12 121.11 1u37 n MET 53 Ca -0.11 0.33 -0.39 0.00 -0.27 0.00 0.00 57.70 57.25 1u37 n MET 53 Cb 0.54 -1.86 -0.02 0.00 2.15 0.00 0.00 33.22 34.03 1u37 n MET 53 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 1u37 s HIS 54 N 0.10 2.55 0.00 1.12 3.76 -1.26 -2.78 115.29 118.77 1u37 s HIS 54 Ca 0.81 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1u37 s HIS 54 Cb -0.97 -4.57 0.00 0.00 1.11 0.00 0.00 32.58 28.15 1u37 s HIS 54 CO 0.51 -1.69 0.00 0.41 -0.85 0.00 0.00 174.74 173.11 1u37 n GLY 55 N 5.69 1.01 2.75 -2.22 0.00 -1.26 -5.11 105.19 106.05 1u37 n GLY 55 Ca 0.46 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.67 0.22 -0.02 0.00 -1.12 -4.67 105.19 98.93 1u37 n GLY 56 Ca 0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.21 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 0.17 -0.69 1.61 0.11 -1.73 0.76 132.00 132.23 1u37 h PRO 57 Ca -0.28 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.85 1u37 h PRO 57 Cb 0.85 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.88 1u37 h PRO 57 CO 0.23 0.11 0.43 0.00 -0.21 0.00 0.00 178.00 178.56 1u37 h ALA 58 N 1.47 0.91 0.00 -0.75 0.00 -1.40 -0.95 119.26 118.55 1u37 h ALA 58 Ca 0.29 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1u37 h ALA 58 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1u37 h ALA 58 CO -0.42 0.19 -0.67 1.49 0.00 0.00 0.00 179.25 179.84 1u37 h GLU 59 N 0.83 0.00 -0.08 0.00 4.81 -1.45 -3.25 114.58 115.44 1u37 h GLU 59 Ca 0.28 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1u37 h GLU 59 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1u37 h GLU 59 CO -0.12 0.67 0.03 0.87 -0.73 0.00 0.00 179.01 179.73 1u37 h LYS 60 N 0.00 0.13 -1.00 1.92 1.57 0.15 -2.96 116.57 116.38 1u37 h LYS 60 Ca -0.01 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.90 1u37 h LYS 60 Cb 1.20 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.40 1u37 h LYS 60 CO 0.09 0.29 0.62 0.66 -0.57 0.00 0.00 179.45 180.54 1u37 h SER 61 N -0.06 0.85 0.00 0.86 4.64 -1.25 -3.46 113.55 115.13 1u37 h SER 61 Ca 0.03 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u37 h SER 61 Cb 0.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1u37 h SER 61 CO -0.00 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 1u37 n GLY 62 N -1.35 0.47 0.55 -0.77 0.00 -1.12 -4.92 105.19 98.05 1u37 n GLY 62 Ca 0.21 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.91 0.30 -2.47 1.61 4.76 -1.26 -4.97 118.16 113.22 1u37 n LYS 63 Ca 0.00 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.14 1u37 n LYS 63 Cb 0.00 -1.01 -0.02 0.00 -1.84 0.00 0.00 35.03 32.16 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 -6.99 4.18 -0.04 -0.35 1.43 -1.26 -5.02 118.68 110.64 1u37 s LEU 64 Ca -0.19 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1u37 s LEU 64 Cb 0.06 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 1u37 s LEU 64 CO 0.25 -0.73 -0.19 0.20 0.23 0.00 0.00 176.35 176.11 1u37 s ASN 65 N 1.80 2.34 -0.43 2.29 0.01 -1.26 -4.63 114.94 115.06 1u37 s ASN 65 Ca 0.53 -0.38 -0.38 0.00 -0.71 0.00 0.00 52.86 51.92 1u37 s ASN 65 Cb -0.21 -0.55 -0.16 0.00 0.41 0.00 0.00 41.25 40.74 1u37 s ASN 65 CO 0.14 0.19 1.81 -0.38 -1.51 0.00 0.00 177.10 177.36 1u37 n ILE 66 N 2.97 0.00 0.00 0.60 5.41 -1.26 -0.47 119.36 126.61 1u37 n ILE 66 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1u37 n ILE 66 Cb 0.53 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 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 6.29 1.03 3.66 7.39 0.00 0.29 -4.95 105.19 118.90 1u37 n GLY 67 Ca 0.46 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.20 7.02 -1.06 1.61 1.01 0.38 -4.73 116.67 119.70 1u37 s ASP 68 Ca 0.00 1.46 -0.23 0.00 0.71 0.00 0.00 52.55 54.50 1u37 s ASP 68 Cb 0.00 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 1u37 s ASP 68 CO 0.00 -0.73 1.74 -1.58 0.21 0.00 0.00 175.17 174.81 1u37 s GLN 69 N 3.38 3.15 0.47 8.23 -0.44 -0.29 -2.76 119.66 131.40 1u37 s GLN 69 Ca 0.48 -1.02 -0.24 0.00 -2.50 0.00 0.00 55.36 52.09 1u37 s GLN 69 Cb -0.17 -5.28 -0.07 0.00 -1.64 0.00 0.00 33.01 25.85 1u37 s GLN 69 CO 0.10 -2.88 1.29 0.42 0.50 0.00 0.00 175.29 174.72 1u37 s ILE 70 N 7.47 2.52 -0.12 -2.34 1.01 -1.21 0.55 121.20 129.08 1u37 s ILE 70 Ca 0.59 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.67 1u37 s ILE 70 Cb -0.02 -3.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 1u37 s ILE 70 CO -0.00 0.02 -0.10 0.23 0.00 0.00 0.00 174.94 175.09 1u37 n MET 71 N -0.44 0.33 -3.45 2.79 2.81 -0.59 -4.19 117.12 114.38 1u37 n MET 71 Ca 0.07 0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 1u37 n MET 71 Cb 0.45 -1.24 -0.03 0.00 -0.71 0.00 0.00 33.22 31.69 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 -5.14 -0.58 -0.13 7.83 1.04 -1.09 -0.38 113.70 115.23 1u37 s SER 72 Ca -0.16 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.48 1u37 s SER 72 Cb 0.04 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.75 1u37 s SER 72 CO 0.28 -0.86 -0.19 -0.63 0.98 0.00 0.00 173.24 172.82 1u37 s ILE 73 N -3.03 1.83 -0.60 -1.02 1.01 -0.15 -1.43 121.20 117.82 1u37 s ILE 73 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1u37 s ILE 73 Cb -0.01 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1u37 s ILE 73 CO -0.07 0.51 0.00 0.59 0.00 0.00 0.00 174.94 175.97 1u37 n ASN 74 N 4.18 -2.50 0.00 3.58 3.02 0.28 0.91 115.26 124.73 1u37 n ASN 74 Ca -0.19 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1u37 n ASN 74 Cb 0.51 -2.23 0.00 0.00 -0.61 0.00 0.00 39.78 37.45 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 -0.60 1.01 3.06 7.41 0.00 -1.24 -4.94 105.19 109.89 1u37 n GLY 75 Ca -0.08 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 3.02 0.07 2.61 2.01 0.26 -5.07 115.64 116.55 1u37 s THR 76 Ca 0.00 -2.58 -0.30 0.00 0.31 0.00 0.00 61.69 59.11 1u37 s THR 76 Cb 0.00 -3.08 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 1u37 s THR 76 CO 0.00 -0.74 1.93 -0.44 -0.69 0.00 0.00 174.62 174.68 1u37 s SER 77 N 0.94 6.43 -0.03 3.53 0.01 -1.26 -0.98 113.70 122.34 1u37 s SER 77 Ca 0.13 2.72 0.12 0.00 1.31 0.00 0.00 55.95 60.23 1u37 s SER 77 Cb -0.22 -2.54 0.40 0.00 0.21 0.00 0.00 66.02 63.86 1u37 s SER 77 CO -0.04 -1.04 1.29 0.18 0.41 0.00 0.00 173.24 174.04 1u37 n LEU 78 N 6.82 2.59 -4.69 2.44 4.77 0.48 -4.84 117.00 124.58 1u37 n LEU 78 Ca 0.19 -1.30 -0.40 0.00 -0.03 0.00 0.00 56.01 54.47 1u37 n LEU 78 Cb 0.40 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1u37 n LEU 78 CO 0.67 0.55 0.43 -0.69 -1.33 0.00 0.00 177.39 177.01 1u37 s VAL 79 N -1.56 5.01 0.00 4.08 1.01 -1.26 -3.77 120.40 123.92 1u37 s VAL 79 Ca 0.29 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1u37 s VAL 79 Cb 0.17 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1u37 s VAL 79 CO 0.17 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1u37 n GLY 80 N 3.43 3.26 3.85 4.51 0.00 -1.26 -5.05 105.19 113.93 1u37 n GLY 80 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.40 1.08 0.99 2.34 -1.25 -5.09 118.68 121.16 1u37 s LEU 81 Ca 0.00 0.88 -0.14 0.00 0.06 0.00 0.00 54.13 54.93 1u37 s LEU 81 Cb 0.00 -2.83 0.23 0.00 -0.56 0.00 0.00 46.19 43.03 1u37 s LEU 81 CO 0.00 0.23 1.08 -2.16 -1.06 0.00 0.00 176.35 174.44 1u37 s PRO 82 N -1.57 -0.24 0.52 1.48 0.04 -1.26 -4.81 135.00 129.15 1u37 s PRO 82 Ca 0.29 0.40 0.16 0.00 0.04 0.00 0.00 61.00 61.90 1u37 s PRO 82 Cb -0.15 -1.67 1.25 0.00 0.04 0.00 0.00 34.50 33.97 1u37 s PRO 82 CO 0.16 -3.16 2.14 1.25 0.04 0.00 0.00 177.00 177.44 1u37 h LEU 83 N -2.20 0.01 -0.30 -3.56 5.85 -1.97 -2.40 115.31 110.75 1u37 h LEU 83 Ca -0.54 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.24 1u37 h LEU 83 Cb 1.33 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1u37 h LEU 83 CO 0.52 0.01 -0.04 0.77 -0.34 0.00 0.00 178.44 179.36 1u37 h SER 84 N 0.01 -0.20 -0.39 1.25 4.64 -1.98 0.21 113.55 117.08 1u37 h SER 84 Ca 0.00 0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1u37 h SER 84 Cb 0.01 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1u37 h SER 84 CO 0.00 -0.07 -0.16 0.74 -0.87 0.00 0.00 176.83 176.47 1u37 h THR 85 N 0.04 1.28 0.07 2.95 2.02 -1.79 -2.16 112.91 115.31 1u37 h THR 85 Ca 0.14 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.05 1u37 h THR 85 Cb 0.21 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1u37 h THR 85 CO -0.28 0.43 -0.14 0.00 0.37 0.00 0.00 175.52 175.90 1u37 h GLN 87 N -0.26 1.13 -0.00 0.00 1.08 -0.60 -0.57 115.11 115.89 1u37 h GLN 87 Ca 0.03 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1u37 h GLN 87 Cb 0.29 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1u37 h GLN 87 CO -0.09 0.75 -0.25 0.77 -0.95 0.00 0.00 178.83 179.07 1u37 h SER 88 N 1.17 0.00 -0.17 1.46 0.02 -0.75 0.24 113.55 115.53 1u37 h SER 88 Ca 0.38 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.28 1u37 h SER 88 Cb 0.04 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1u37 h SER 88 CO -0.13 0.25 -0.12 0.40 -1.14 0.00 0.00 176.83 176.09 1u37 h ILE 89 N 0.00 1.33 -0.55 3.27 2.04 0.72 0.15 117.51 124.47 1u37 h ILE 89 Ca -0.00 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.54 1u37 h ILE 89 Cb 0.44 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1u37 h ILE 89 CO 0.03 0.37 -0.01 0.40 0.00 0.00 0.00 178.15 178.94 1u37 h ILE 90 N 0.03 1.26 -0.12 -0.67 2.04 -0.99 -1.95 117.51 117.11 1u37 h ILE 90 Ca 0.03 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 64.66 1u37 h ILE 90 Cb 0.63 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1u37 h ILE 90 CO 0.03 0.40 -0.48 0.11 0.00 0.00 0.00 178.15 178.21 1u37 h LYS 91 N 0.88 0.29 0.00 2.37 6.56 -0.88 -2.56 116.57 123.23 1u37 h LYS 91 Ca 0.16 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1u37 h LYS 91 Cb 0.52 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 1u37 h LYS 91 CO 0.03 0.71 0.00 0.41 -2.06 0.00 0.00 179.45 178.54 1u37 n GLY 92 N 0.00 -1.45 1.95 3.86 0.00 0.53 -3.24 105.19 106.85 1u37 n GLY 92 Ca -0.02 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.15 6.50 0.09 0.99 4.77 -0.77 -4.33 117.00 122.10 1u37 n LEU 93 Ca 0.04 -3.40 -0.16 0.00 -0.03 0.00 0.00 56.01 52.46 1u37 n LEU 93 Cb 0.31 -0.98 -0.14 0.00 -2.33 0.00 0.00 43.42 40.28 1u37 n LEU 93 CO 0.24 1.21 -0.13 0.11 -1.33 0.00 0.00 177.39 177.48 1u37 h LYS 94 N 1.42 0.26 -2.23 3.23 1.57 -1.68 -3.39 116.57 115.75 1u37 h LYS 94 Ca 0.37 -0.44 -0.59 0.00 -1.87 0.00 0.00 60.65 58.12 1u37 h LYS 94 Cb 1.10 0.16 -0.42 0.00 0.08 0.00 0.00 32.23 33.16 1u37 h LYS 94 CO 0.90 1.18 -0.67 0.09 -0.57 0.00 0.00 179.45 180.38 1u37 n ASN 95 N -3.50 3.89 -0.02 0.86 3.02 -1.26 0.17 115.26 118.42 1u37 n ASN 95 Ca -0.11 -3.53 -0.02 0.00 -0.03 0.00 0.00 54.58 50.89 1u37 n ASN 95 Cb 1.03 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.20 0.21 -0.55 3.52 1.13 -1.26 -4.83 117.38 115.80 1u37 n GLN 96 Ca 0.30 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 1u37 n GLN 96 Cb 0.42 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.71 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 -2.57 0.00 -3.63 1.08 7.64 -1.26 -4.93 113.62 109.94 1u37 n SER 97 Ca -0.05 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.70 1u37 n SER 97 Cb 0.56 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 1u37 n SER 97 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1u37 s ARG 98 N -0.07 0.78 -0.26 1.43 0.52 -1.21 -1.43 118.95 118.71 1u37 s ARG 98 Ca 0.00 0.99 -0.02 0.00 -0.52 0.00 0.00 55.73 56.18 1u37 s ARG 98 Cb 0.00 0.35 0.08 0.00 0.52 0.00 0.00 34.95 35.91 1u37 s ARG 98 CO 0.00 -0.10 0.07 0.08 0.02 0.00 0.00 175.30 175.37 1u37 s VAL 99 N 0.55 0.65 -1.19 3.52 1.01 0.88 -4.88 120.40 120.94 1u37 s VAL 99 Ca -0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 1u37 s VAL 99 Cb -0.05 -1.36 0.20 0.00 0.00 0.00 0.00 36.38 35.17 1u37 s VAL 99 CO -0.03 -0.50 1.38 0.29 0.00 0.00 0.00 175.10 176.24 1u37 n LYS 100 N 4.97 3.42 -3.90 2.72 5.02 -1.25 -1.20 118.16 127.94 1u37 n LYS 100 Ca -0.05 -3.99 -0.35 0.00 -2.02 0.00 0.00 58.31 51.90 1u37 n LYS 100 Cb 0.44 -2.92 -0.14 0.00 -0.02 0.00 0.00 35.03 32.39 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 0.84 3.04 -0.48 -0.35 2.34 -0.05 0.99 118.68 125.00 1u37 s LEU 101 Ca 0.40 -0.34 -0.23 0.00 0.06 0.00 0.00 54.13 54.02 1u37 s LEU 101 Cb -0.04 -1.78 0.03 0.00 -0.56 0.00 0.00 46.19 43.84 1u37 s LEU 101 CO -0.02 -0.01 0.82 0.20 -1.06 0.00 0.00 176.35 176.28 1u37 s ASN 102 N 1.46 6.39 0.49 1.48 -0.87 -0.51 -1.36 114.94 122.01 1u37 s ASN 102 Ca 0.05 -0.20 0.08 0.00 -1.57 0.00 0.00 52.86 51.22 1u37 s ASN 102 Cb -0.14 -2.40 0.03 0.00 -0.02 0.00 0.00 41.25 38.71 1u37 s ASN 102 CO -0.01 -1.00 0.53 0.27 -2.57 0.00 0.00 177.10 174.31 1u37 s ILE 103 N 3.45 2.36 0.02 0.60 -4.36 -0.80 -1.54 121.20 120.93 1u37 s ILE 103 Ca 0.30 -1.22 0.03 0.00 -0.26 0.00 0.00 60.65 59.50 1u37 s ILE 103 Cb -0.12 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 1u37 s ILE 103 CO 0.21 0.00 -0.10 -0.69 0.24 0.00 0.00 174.94 174.60 1u37 s VAL 104 N -2.57 0.81 0.00 8.37 1.01 0.19 -1.40 120.40 126.80 1u37 s VAL 104 Ca 0.50 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1u37 s VAL 104 Cb -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1u37 s VAL 104 CO 0.30 -0.01 0.49 -1.14 0.00 0.00 0.00 175.10 174.74