#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 3.24 -0.13 -0.32 0.40 -1.26 -0.55 117.98 119.36 1u37 s PHE 18 Ca 0.00 1.63 -0.05 0.00 -0.60 0.00 0.00 56.93 57.91 1u37 s PHE 18 Cb 0.00 -3.00 0.06 0.00 0.51 0.00 0.00 43.02 40.59 1u37 s PHE 18 CO 0.00 -0.44 0.25 0.15 0.70 0.00 0.00 175.22 175.89 1u37 s LYS 19 N -2.88 0.14 -1.30 0.44 1.02 -0.68 -4.96 119.74 111.52 1u37 s LYS 19 Ca 0.61 0.73 -0.18 0.00 0.02 0.00 0.00 55.97 57.15 1u37 s LYS 19 Cb -0.16 -0.05 0.07 0.00 -0.52 0.00 0.00 37.83 37.17 1u37 s LYS 19 CO 0.20 -0.28 1.75 -0.25 -0.92 0.00 0.00 175.35 175.84 1u37 n ASP 20 N 5.32 4.92 -4.67 2.83 9.92 -1.26 -1.71 116.55 131.90 1u37 n ASP 20 Ca -0.06 -2.92 -0.42 0.00 -0.53 0.00 0.00 54.79 50.85 1u37 n ASP 20 Cb 0.50 -1.75 -0.03 0.00 -0.64 0.00 0.00 41.12 39.20 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 4.26 3.68 -0.36 2.53 1.01 -0.43 -4.89 120.40 126.19 1u37 s VAL 21 Ca 0.54 0.95 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 1u37 s VAL 21 Cb 0.04 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.90 1u37 s VAL 21 CO 0.08 -0.05 0.11 0.12 0.00 0.00 0.00 175.10 175.36 1u37 s PHE 22 N 3.24 3.52 -0.53 5.22 2.19 -1.22 -0.81 117.98 129.58 1u37 s PHE 22 Ca 0.67 -2.35 -0.17 0.00 0.33 0.00 0.00 56.93 55.40 1u37 s PHE 22 Cb -0.31 -2.81 0.09 0.00 -1.31 0.00 0.00 43.02 38.68 1u37 s PHE 22 CO 0.26 -0.92 0.56 0.42 1.83 0.00 0.00 175.22 177.38 1u37 s ILE 23 N 1.13 5.03 -0.43 3.12 -1.09 -0.34 -4.68 121.20 123.94 1u37 s ILE 23 Ca 0.04 -1.04 -0.18 0.00 -2.23 0.00 0.00 60.65 57.24 1u37 s ILE 23 Cb -0.21 -4.33 0.02 0.00 -1.58 0.00 0.00 42.46 36.37 1u37 s ILE 23 CO -0.04 -0.86 0.51 -1.61 -1.23 0.00 0.00 174.94 171.71 1u37 s GLU 24 N 2.14 3.15 0.00 2.79 2.02 -1.26 -0.17 118.70 127.38 1u37 s GLU 24 Ca 0.08 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1u37 s GLU 24 Cb -0.25 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 30.02 1u37 s GLU 24 CO 0.07 -0.92 0.00 0.36 0.02 0.00 0.00 175.26 174.79 1u37 n LYS 25 N 5.83 1.01 -4.18 1.61 2.85 -0.56 -4.92 118.16 119.80 1u37 n LYS 25 Ca -0.05 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.85 1u37 n LYS 25 Cb 0.47 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.77 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 -1.97 3.35 -0.13 -1.58 1.11 -1.26 -4.09 119.66 115.10 1u37 s GLN 26 Ca 0.00 -0.34 -0.39 0.00 0.01 0.00 0.00 55.36 54.64 1u37 s GLN 26 Cb 0.00 -2.99 -0.16 0.00 -1.01 0.00 0.00 33.01 28.85 1u37 s GLN 26 CO 0.00 0.60 1.55 1.63 0.01 0.00 0.00 175.29 179.07 1u37 n LYS 27 N 2.50 1.07 0.00 2.91 5.02 -1.26 -1.58 118.16 126.81 1u37 n LYS 27 Ca -0.18 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1u37 n LYS 27 Cb 0.54 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 3.40 1.14 2.99 0.72 0.00 0.30 -4.92 105.19 108.83 1u37 n GLY 28 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.45 1.40 0.43 1.61 0.41 0.55 -4.91 118.70 117.74 1u37 s GLU 29 Ca 0.00 -0.33 -0.19 0.00 -0.41 0.00 0.00 54.97 54.05 1u37 s GLU 29 Cb 0.00 -1.21 -0.10 0.00 -1.78 0.00 0.00 34.13 31.04 1u37 s GLU 29 CO 0.00 0.02 0.91 0.96 -0.49 0.00 0.00 175.26 176.66 1u37 s ILE 30 N 0.65 4.49 0.29 -1.63 -4.36 -1.26 -3.96 121.20 115.43 1u37 s ILE 30 Ca -0.12 1.30 0.04 0.00 -0.26 0.00 0.00 60.65 61.61 1u37 s ILE 30 Cb -0.15 -3.63 0.29 0.00 1.25 0.00 0.00 42.46 40.22 1u37 s ILE 30 CO 0.02 -0.39 1.70 0.25 0.24 0.00 0.00 174.94 176.76 1u37 h LEU 31 N 1.71 0.36 0.00 0.37 6.46 -1.75 -3.42 115.31 119.04 1u37 h LEU 31 Ca -0.48 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1u37 h LEU 31 Cb 1.18 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1u37 h LEU 31 CO 0.62 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 179.05 1u37 n GLY 32 N -1.33 0.80 3.87 3.75 0.00 -1.26 -1.47 105.19 109.55 1u37 n GLY 32 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.13 5.19 -0.37 1.61 -7.23 -1.26 0.06 120.40 116.28 1u37 s VAL 33 Ca 0.00 0.40 0.04 0.00 -1.81 0.00 0.00 61.98 60.60 1u37 s VAL 33 Cb 0.00 -3.61 0.10 0.00 0.56 0.00 0.00 36.38 33.44 1u37 s VAL 33 CO 0.00 0.40 0.08 -0.69 -0.31 0.00 0.00 175.10 174.58 1u37 s VAL 34 N -1.27 2.36 0.22 1.32 1.01 -0.32 -4.94 120.40 118.78 1u37 s VAL 34 Ca 0.28 -2.47 -0.03 0.00 0.00 0.00 0.00 61.98 59.76 1u37 s VAL 34 Cb -0.14 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1u37 s VAL 34 CO 0.15 -0.63 0.44 0.27 0.00 0.00 0.00 175.10 175.33 1u37 s ILE 35 N 0.75 5.14 0.14 2.22 -5.25 -1.25 0.50 121.20 123.44 1u37 s ILE 35 Ca 0.12 -0.16 0.05 0.00 -0.99 0.00 0.00 60.65 59.67 1u37 s ILE 35 Cb -0.20 -3.71 -0.04 0.00 2.95 0.00 0.00 42.46 41.46 1u37 s ILE 35 CO -0.07 -0.18 -0.12 0.68 -1.79 0.00 0.00 174.94 173.46 1u37 s VAL 36 N -1.89 1.28 -0.76 8.37 -7.23 0.12 -4.77 120.40 115.51 1u37 s VAL 36 Ca 0.41 -1.86 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 1u37 s VAL 36 Cb -0.11 -1.66 -0.16 0.00 0.56 0.00 0.00 36.38 35.01 1u37 s VAL 36 CO 0.28 -0.55 2.40 -0.62 -0.31 0.00 0.00 175.10 176.30 1u37 n GLU 37 N 0.22 0.54 -1.74 4.82 1.02 -1.26 0.58 120.64 124.82 1u37 n GLU 37 Ca -0.13 -0.41 -0.39 0.00 -0.02 0.00 0.00 57.16 56.21 1u37 n GLU 37 Cb 0.59 -2.98 -0.03 0.00 -0.02 0.00 0.00 31.44 28.99 1u37 n GLU 37 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1u37 s SER 38 N 9.32 5.09 -0.09 1.62 1.04 -1.25 -4.77 113.70 124.66 1u37 s SER 38 Ca 1.05 1.16 0.13 0.00 0.48 0.00 0.00 55.95 58.77 1u37 s SER 38 Cb -0.37 -2.51 0.19 0.00 0.10 0.00 0.00 66.02 63.43 1u37 s SER 38 CO 0.25 -2.36 1.09 0.61 0.98 0.00 0.00 173.24 173.81 1u37 n GLY 39 N 5.79 3.99 3.59 7.32 0.00 -1.26 -3.36 105.19 121.26 1u37 n GLY 39 Ca 0.29 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1u37 n GLY 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u37 s TRP 40 N -2.18 0.67 -1.13 1.61 -2.14 -1.26 -4.90 118.94 109.61 1u37 s TRP 40 Ca 0.21 0.57 -0.06 0.00 2.66 0.00 0.00 56.10 59.48 1u37 s TRP 40 Cb 0.19 -3.41 0.06 0.00 -3.10 0.00 0.00 33.47 27.21 1u37 s TRP 40 CO 0.02 -3.79 2.60 0.41 -2.66 0.00 0.00 176.95 173.53 1u37 n GLY 41 N -0.88 4.81 3.56 3.67 0.00 -1.26 -4.86 105.19 110.23 1u37 n GLY 41 Ca 0.12 -1.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 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 0.69 -0.68 0.27 1.61 0.15 -1.26 -5.14 113.70 109.33 1u37 s SER 42 Ca 0.58 1.02 0.00 0.00 0.70 0.00 0.00 55.95 58.25 1u37 s SER 42 Cb 0.23 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1u37 s SER 42 CO -0.11 -0.45 0.00 -0.38 1.20 0.00 0.00 173.24 173.50 1u37 n ILE 43 N 1.71 0.00 -3.13 6.45 -0.00 -1.26 -4.55 119.36 118.57 1u37 n ILE 43 Ca -0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.19 1u37 n ILE 43 Cb 0.56 -0.02 -0.05 0.00 -0.00 0.00 0.00 39.64 40.13 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 4.27 -0.03 1.39 2.34 -1.26 -5.00 118.68 120.38 1u37 s LEU 44 Ca 0.00 1.01 -0.30 0.00 0.06 0.00 0.00 54.13 54.90 1u37 s LEU 44 Cb 0.00 -2.94 -0.09 0.00 -0.56 0.00 0.00 46.19 42.61 1u37 s LEU 44 CO 0.00 -0.12 2.01 -0.81 -1.06 0.00 0.00 176.35 176.37 1u37 n PRO 45 N 4.02 2.59 0.00 1.48 -0.04 -1.26 -4.76 135.00 137.02 1u37 n PRO 45 Ca -0.03 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1u37 n PRO 45 Cb 0.51 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1u37 n PRO 45 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1u37 n THR 46 N 5.90 0.00 -3.62 0.52 -2.24 -1.21 -4.07 114.28 109.56 1u37 n THR 46 Ca 0.23 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.86 1u37 n THR 46 Cb 0.39 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 1u37 n THR 46 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1u37 s VAL 47 N -0.62 0.00 -0.20 2.28 -7.23 -1.24 -3.89 120.40 109.49 1u37 s VAL 47 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1u37 s VAL 47 Cb 0.00 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.96 1u37 s VAL 47 CO 0.00 0.00 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.01 1u37 s ILE 48 N 0.21 2.34 -0.43 -0.62 1.01 0.20 -2.10 121.20 121.81 1u37 s ILE 48 Ca -0.01 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.39 1u37 s ILE 48 Cb -0.04 -2.07 -0.29 0.00 0.01 0.00 0.00 42.46 40.07 1u37 s ILE 48 CO 0.02 0.42 1.77 -0.38 0.00 0.00 0.00 174.94 176.77 1u37 n ILE 49 N 4.63 0.51 0.13 2.92 5.41 -0.81 0.11 119.36 132.26 1u37 n ILE 49 Ca -0.19 -0.46 0.17 0.00 1.00 0.00 0.00 62.75 63.26 1u37 n ILE 49 Cb 0.49 -2.08 0.73 0.00 -0.71 0.00 0.00 39.64 38.07 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 9.84 2.14 -2.80 -1.39 0.00 -0.27 0.53 119.26 127.31 1u37 h ALA 50 Ca 0.25 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 1u37 h ALA 50 Cb 0.76 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 1u37 h ALA 50 CO 1.79 -0.40 -0.33 -0.80 0.00 0.00 0.00 179.25 179.52 1u37 s ASN 51 N -6.19 0.48 -0.29 0.00 0.02 -0.51 -4.72 114.94 103.72 1u37 s ASN 51 Ca -0.05 -1.32 -0.18 0.00 -1.02 0.00 0.00 52.86 50.29 1u37 s ASN 51 Cb 0.17 0.55 0.16 0.00 0.02 0.00 0.00 41.25 42.15 1u37 s ASN 51 CO 0.65 -1.09 1.07 -0.32 0.02 0.00 0.00 177.10 177.42 1u37 s MET 52 N -3.70 0.30 0.02 -0.60 1.75 -1.26 -1.17 119.30 114.64 1u37 s MET 52 Ca 0.32 0.49 -0.33 0.00 -1.25 0.00 0.00 55.69 54.91 1u37 s MET 52 Cb 0.02 0.08 -0.12 0.00 2.84 0.00 0.00 34.83 37.65 1u37 s MET 52 CO 0.15 -0.06 1.80 -0.12 -0.65 0.00 0.00 175.02 176.15 1u37 n MET 53 N 3.27 2.32 -2.49 4.11 1.56 0.11 -4.87 117.12 121.13 1u37 n MET 53 Ca -0.17 0.85 -0.39 0.00 -0.27 0.00 0.00 57.70 57.72 1u37 n MET 53 Cb 0.57 -2.69 -0.03 0.00 2.15 0.00 0.00 33.22 33.22 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 3.07 2.44 0.00 1.12 3.76 -1.26 -2.80 115.29 121.61 1u37 s HIS 54 Ca 0.87 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1u37 s HIS 54 Cb -0.64 -4.61 0.00 0.00 1.11 0.00 0.00 32.58 28.45 1u37 s HIS 54 CO 0.45 -1.90 0.00 0.41 -0.85 0.00 0.00 174.74 172.85 1u37 n GLY 55 N 6.81 1.61 0.00 -2.22 0.00 -1.26 -5.10 105.19 105.03 1u37 n GLY 55 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.23 2.62 0.16 -0.02 0.00 -1.12 -4.79 105.19 101.81 1u37 n GLY 56 Ca 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.14 -0.15 1.61 0.11 -1.80 1.12 132.00 132.76 1u37 h PRO 57 Ca 0.00 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.14 1u37 h PRO 57 Cb 0.00 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1u37 h PRO 57 CO 0.00 -0.09 0.03 0.00 -0.21 0.00 0.00 178.00 177.73 1u37 h ALA 58 N 0.92 0.14 0.00 -0.75 0.00 -1.57 -0.23 119.26 117.77 1u37 h ALA 58 Ca 0.07 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1u37 h ALA 58 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1u37 h ALA 58 CO -0.18 -0.42 -0.40 1.49 0.00 0.00 0.00 179.25 179.73 1u37 h GLU 59 N 0.09 0.00 -0.13 0.00 4.81 -1.66 -3.10 114.58 114.59 1u37 h GLU 59 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1u37 h GLU 59 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1u37 h GLU 59 CO -0.09 0.40 0.03 0.87 -0.73 0.00 0.00 179.01 179.50 1u37 h LYS 60 N 0.00 0.20 -1.00 1.92 1.57 0.22 -2.91 116.57 116.56 1u37 h LYS 60 Ca -0.00 -0.05 0.19 0.00 -1.87 0.00 0.00 60.65 58.92 1u37 h LYS 60 Cb 0.80 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.98 1u37 h LYS 60 CO 0.05 0.36 0.61 0.66 -0.57 0.00 0.00 179.45 180.56 1u37 h SER 61 N 0.00 0.77 0.00 0.86 4.64 -0.99 -3.46 113.55 115.38 1u37 h SER 61 Ca 0.04 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1u37 h SER 61 Cb 0.25 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1u37 h SER 61 CO 0.00 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 1u37 n GLY 62 N -1.33 0.41 1.07 -0.77 0.00 -1.10 -4.92 105.19 98.55 1u37 n GLY 62 Ca 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.22 0.00 -2.55 1.61 4.76 -1.26 -5.01 118.16 113.49 1u37 n LYS 63 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1u37 n LYS 63 Cb 0.18 -0.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.88 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 -6.23 4.13 -0.05 -0.35 1.43 -1.26 -5.02 118.68 111.32 1u37 s LEU 64 Ca 0.00 1.50 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 1u37 s LEU 64 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1u37 s LEU 64 CO 0.00 -0.73 -0.15 0.54 0.23 0.00 0.00 176.35 176.25 1u37 s ASN 65 N 1.59 1.94 -0.31 2.29 2.20 -1.26 -4.53 114.94 116.85 1u37 s ASN 65 Ca 0.49 -0.32 -0.29 0.00 -0.94 0.00 0.00 52.86 51.80 1u37 s ASN 65 Cb -0.18 -0.68 -0.12 0.00 -2.00 0.00 0.00 41.25 38.27 1u37 s ASN 65 CO 0.10 0.10 1.09 -0.38 -2.94 0.00 0.00 177.10 175.07 1u37 n ILE 66 N 3.41 0.00 0.00 0.54 5.41 -1.26 -1.33 119.36 126.13 1u37 n ILE 66 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1u37 n ILE 66 Cb 0.53 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 39.15 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 3.12 0.99 3.70 7.39 0.00 0.18 -4.98 105.19 115.60 1u37 n GLY 67 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.73 7.29 -1.18 1.61 1.01 -0.44 -4.74 116.67 118.49 1u37 s ASP 68 Ca 0.00 1.57 -0.18 0.00 0.71 0.00 0.00 52.55 54.65 1u37 s ASP 68 Cb 0.00 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.47 1u37 s ASP 68 CO 0.00 -0.34 1.55 -1.58 0.21 0.00 0.00 175.17 175.01 1u37 s GLN 69 N 1.48 3.88 0.47 8.23 -0.44 -0.55 -1.92 119.66 130.82 1u37 s GLN 69 Ca 0.50 -1.89 -0.24 0.00 -2.50 0.00 0.00 55.36 51.22 1u37 s GLN 69 Cb -0.20 -5.34 -0.07 0.00 -1.64 0.00 0.00 33.01 25.76 1u37 s GLN 69 CO 0.23 -2.10 1.37 0.42 0.50 0.00 0.00 175.29 175.70 1u37 s ILE 70 N 3.71 2.24 -0.09 -2.34 1.01 -0.89 0.63 121.20 125.47 1u37 s ILE 70 Ca 0.48 0.20 0.03 0.00 0.00 0.00 0.00 60.65 61.36 1u37 s ILE 70 Cb 0.01 -3.11 -0.07 0.00 0.01 0.00 0.00 42.46 39.29 1u37 s ILE 70 CO 0.00 0.02 -0.04 0.23 0.00 0.00 0.00 174.94 175.15 1u37 n MET 71 N -0.40 1.17 -3.43 2.79 2.81 -0.57 -3.72 117.12 115.77 1u37 n MET 71 Ca 0.07 0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.87 1u37 n MET 71 Cb 0.43 -1.19 -0.02 0.00 -0.71 0.00 0.00 33.22 31.74 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 -4.54 -0.56 -0.11 7.83 1.04 -0.91 0.13 113.70 116.59 1u37 s SER 72 Ca -0.09 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.34 1u37 s SER 72 Cb 0.03 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1u37 s SER 72 CO 0.24 -0.96 -0.12 -0.63 0.98 0.00 0.00 173.24 172.76 1u37 s ILE 73 N -3.73 1.25 -0.58 -1.02 1.01 -0.05 -1.46 121.20 116.63 1u37 s ILE 73 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1u37 s ILE 73 Cb -0.01 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1u37 s ILE 73 CO -0.13 0.40 0.00 0.59 0.00 0.00 0.00 174.94 175.80 1u37 n ASN 74 N 4.45 -2.50 0.00 3.58 3.02 0.65 0.10 115.26 124.57 1u37 n ASN 74 Ca -0.17 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1u37 n ASN 74 Cb 0.51 -2.22 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 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 0.93 3.13 7.41 0.00 -1.24 -4.92 105.19 109.88 1u37 n GLY 75 Ca -0.08 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 3.69 0.06 2.61 2.01 0.28 -5.06 115.64 117.23 1u37 s THR 76 Ca 0.00 -2.39 -0.33 0.00 0.31 0.00 0.00 61.69 59.28 1u37 s THR 76 Cb 0.00 -3.45 -0.12 0.00 0.01 0.00 0.00 72.50 68.94 1u37 s THR 76 CO 0.00 -0.79 1.81 -1.20 -0.69 0.00 0.00 174.62 173.74 1u37 n SER 77 N 4.18 3.66 -1.76 3.53 7.64 -1.26 -0.87 113.62 128.72 1u37 n SER 77 Ca 0.02 1.00 0.03 0.00 1.01 0.00 0.00 58.87 60.92 1u37 n SER 77 Cb 0.40 -1.46 0.33 0.00 -1.01 0.00 0.00 64.21 62.47 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 5.64 5.29 -4.55 -3.43 4.77 0.34 -4.83 117.00 120.23 1u37 n LEU 78 Ca 0.19 -2.70 -0.42 0.00 -0.03 0.00 0.00 56.01 53.05 1u37 n LEU 78 Cb 0.33 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1u37 n LEU 78 CO 0.68 0.63 0.27 -0.69 -1.33 0.00 0.00 177.39 176.95 1u37 s VAL 79 N -2.58 4.97 0.00 4.08 1.01 -1.25 -4.09 120.40 122.54 1u37 s VAL 79 Ca 0.48 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1u37 s VAL 79 Cb 0.37 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1u37 s VAL 79 CO 0.13 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1u37 n GLY 80 N 4.83 2.94 3.79 4.51 0.00 -1.26 -5.06 105.19 114.94 1u37 n GLY 80 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 4.48 0.00 0.99 2.34 -1.26 -5.06 118.68 120.17 1u37 s LEU 81 Ca 0.00 1.62 -0.21 0.00 0.06 0.00 0.00 54.13 55.60 1u37 s LEU 81 Cb 0.00 -3.51 0.31 0.00 -0.56 0.00 0.00 46.19 42.43 1u37 s LEU 81 CO 0.00 0.11 1.03 -0.81 -1.06 0.00 0.00 176.35 175.62 1u37 n PRO 82 N 1.16 -3.37 0.13 1.48 -0.04 -1.26 -4.80 135.00 128.30 1u37 n PRO 82 Ca -0.03 -1.66 0.01 0.00 -0.04 0.00 0.00 63.50 61.78 1u37 n PRO 82 Cb 0.50 -1.64 0.35 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.17 -0.52 1.53 5.85 -1.97 -2.78 115.31 117.59 1u37 h LEU 83 Ca -0.40 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.33 1u37 h LEU 83 Cb 1.24 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1u37 h LEU 83 CO 0.26 0.43 0.24 -1.28 -0.34 0.00 0.00 178.44 177.75 1u37 h SER 84 N 0.16 0.31 -0.10 1.25 0.87 -1.99 0.23 113.55 114.28 1u37 h SER 84 Ca 0.02 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1u37 h SER 84 Cb 0.55 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1u37 h SER 84 CO 0.04 0.21 -0.04 0.74 -0.53 0.00 0.00 176.83 177.26 1u37 h THR 85 N 0.46 1.31 0.14 2.23 2.02 -1.86 -2.03 112.91 115.17 1u37 h THR 85 Ca 0.24 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.41 1u37 h THR 85 Cb 0.19 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1u37 h THR 85 CO -0.19 0.29 -0.18 0.00 0.37 0.00 0.00 175.52 175.81 1u37 h GLN 87 N -0.36 1.02 0.00 0.00 1.08 -0.59 0.74 115.11 117.00 1u37 h GLN 87 Ca 0.01 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1u37 h GLN 87 Cb 0.36 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1u37 h GLN 87 CO -0.07 0.67 -0.31 0.66 -0.95 0.00 0.00 178.83 178.83 1u37 h SER 88 N 1.05 0.00 -0.15 1.46 4.64 -0.70 -1.36 113.55 118.48 1u37 h SER 88 Ca 0.47 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.73 1u37 h SER 88 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1u37 h SER 88 CO -0.23 0.31 -0.15 0.40 -0.87 0.00 0.00 176.83 176.29 1u37 h ILE 89 N 0.00 1.34 -0.78 0.95 2.04 0.11 0.12 117.51 121.29 1u37 h ILE 89 Ca -0.00 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 1u37 h ILE 89 Cb 0.57 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 1u37 h ILE 89 CO 0.04 0.39 0.37 0.40 0.00 0.00 0.00 178.15 179.35 1u37 h ILE 90 N 0.01 1.24 -0.35 -0.67 2.04 -1.05 -1.64 117.51 117.09 1u37 h ILE 90 Ca 0.03 -0.69 -0.13 0.00 1.00 0.00 0.00 64.86 65.07 1u37 h ILE 90 Cb 0.68 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1u37 h ILE 90 CO 0.04 0.29 -0.30 0.11 0.00 0.00 0.00 178.15 178.29 1u37 h LYS 91 N 1.11 0.76 0.00 2.37 1.57 -1.16 -2.37 116.57 118.84 1u37 h LYS 91 Ca 0.27 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1u37 h LYS 91 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1u37 h LYS 91 CO -0.03 0.96 0.00 0.41 -0.57 0.00 0.00 179.45 180.22 1u37 n GLY 92 N -0.10 -1.10 1.72 3.86 0.00 0.02 -2.76 105.19 106.82 1u37 n GLY 92 Ca -0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.48 5.16 0.08 0.99 4.77 -0.67 -4.24 117.00 121.61 1u37 n LEU 93 Ca 0.05 -2.70 -0.14 0.00 -0.03 0.00 0.00 56.01 53.19 1u37 n LEU 93 Cb 0.21 -0.70 -0.14 0.00 -2.33 0.00 0.00 43.42 40.46 1u37 n LEU 93 CO 0.17 0.77 -0.06 0.50 -1.33 0.00 0.00 177.39 177.43 1u37 h LYS 94 N 1.21 0.20 -2.25 3.23 3.64 -1.64 -3.36 116.57 117.59 1u37 h LYS 94 Ca 0.31 -0.34 -0.59 0.00 -1.27 0.00 0.00 60.65 58.76 1u37 h LYS 94 Cb 2.05 0.13 -0.42 0.00 -0.41 0.00 0.00 32.23 33.58 1u37 h LYS 94 CO 0.63 1.13 -0.64 0.09 -2.27 0.00 0.00 179.45 178.40 1u37 n ASN 95 N -3.46 4.15 0.00 4.20 3.02 -1.26 0.21 115.26 122.11 1u37 n ASN 95 Ca -0.08 -3.59 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 1u37 n ASN 95 Cb 1.01 -0.60 0.00 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 0.15 0.00 -0.96 3.52 1.13 -1.26 -4.83 117.38 115.12 1u37 n GLN 96 Ca 0.30 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1u37 n GLN 96 Cb 0.40 -0.80 0.00 0.00 0.11 0.00 0.00 30.24 29.96 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 -2.38 -0.67 -3.64 1.08 7.64 -1.26 -4.88 113.62 109.52 1u37 n SER 97 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1u37 n SER 97 Cb 0.38 -0.37 -0.07 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.12 0.66 -0.26 1.43 0.52 -1.18 -1.50 118.95 118.50 1u37 s ARG 98 Ca 0.00 0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 56.00 1u37 s ARG 98 Cb 0.00 0.30 0.09 0.00 0.52 0.00 0.00 34.95 35.85 1u37 s ARG 98 CO 0.00 -0.08 0.09 0.08 0.02 0.00 0.00 175.30 175.40 1u37 s VAL 99 N 0.46 0.40 -1.25 3.52 1.01 0.77 -4.87 120.40 120.43 1u37 s VAL 99 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 1u37 s VAL 99 Cb -0.05 -1.18 0.18 0.00 0.00 0.00 0.00 36.38 35.33 1u37 s VAL 99 CO -0.05 -0.53 1.73 0.29 0.00 0.00 0.00 175.10 176.55 1u37 n LYS 100 N 5.07 3.59 -3.69 2.72 5.02 -1.25 -1.20 118.16 128.43 1u37 n LYS 100 Ca -0.06 -3.67 -0.37 0.00 -2.02 0.00 0.00 58.31 52.19 1u37 n LYS 100 Cb 0.44 -2.93 -0.12 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 0.20 3.73 -0.39 -0.35 2.34 0.01 -0.25 118.68 123.96 1u37 s LEU 101 Ca 0.40 -0.10 -0.22 0.00 0.06 0.00 0.00 54.13 54.26 1u37 s LEU 101 Cb 0.06 -2.02 0.01 0.00 -0.56 0.00 0.00 46.19 43.68 1u37 s LEU 101 CO 0.01 -0.03 0.75 0.20 -1.06 0.00 0.00 176.35 176.21 1u37 s ASN 102 N 1.63 6.47 0.48 1.48 -0.87 -0.53 -1.32 114.94 122.28 1u37 s ASN 102 Ca 0.07 0.13 0.07 0.00 -1.57 0.00 0.00 52.86 51.56 1u37 s ASN 102 Cb -0.15 -2.37 0.02 0.00 -0.02 0.00 0.00 41.25 38.72 1u37 s ASN 102 CO 0.07 -0.77 0.47 0.27 -2.57 0.00 0.00 177.10 174.57 1u37 s ILE 103 N 3.07 2.27 0.06 0.60 -4.36 -0.70 -1.51 121.20 120.63 1u37 s ILE 103 Ca 0.29 -1.32 0.05 0.00 -0.26 0.00 0.00 60.65 59.41 1u37 s ILE 103 Cb -0.13 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 40.97 1u37 s ILE 103 CO 0.18 0.00 -0.14 -0.69 0.24 0.00 0.00 174.94 174.53 1u37 s VAL 104 N -2.60 1.10 0.00 8.37 1.01 0.21 -1.68 120.40 126.81 1u37 s VAL 104 Ca 0.46 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1u37 s VAL 104 Cb -0.04 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1u37 s VAL 104 CO 0.28 -0.15 0.27 0.54 0.00 0.00 0.00 175.10 176.04