#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 2.34 -0.10 -0.32 0.08 -1.26 -1.13 117.98 117.59 1u37 s PHE 18 Ca 0.00 1.47 -0.04 0.00 0.12 0.00 0.00 56.93 58.48 1u37 s PHE 18 Cb 0.00 -3.61 0.05 0.00 -0.57 0.00 0.00 43.02 38.89 1u37 s PHE 18 CO 0.00 -2.50 0.17 0.21 -0.10 0.00 0.00 175.22 173.00 1u37 s LYS 19 N -3.15 0.05 -1.27 0.44 2.20 0.15 -4.91 119.74 113.26 1u37 s LYS 19 Ca 0.75 0.53 -0.18 0.00 -0.36 0.00 0.00 55.97 56.71 1u37 s LYS 19 Cb -0.35 -0.38 0.01 0.00 -1.51 0.00 0.00 37.83 35.60 1u37 s LYS 19 CO 0.39 -0.35 1.91 -0.25 -0.36 0.00 0.00 175.35 176.69 1u37 n ASP 20 N 5.33 4.12 -4.71 1.43 9.92 -1.26 -1.35 116.55 130.02 1u37 n ASP 20 Ca -0.05 -2.84 -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 5.27 3.11 -0.33 2.53 1.01 -0.28 -4.87 120.40 126.84 1u37 s VAL 21 Ca 0.55 0.74 0.02 0.00 0.00 0.00 0.00 61.98 63.29 1u37 s VAL 21 Cb 0.07 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 33.06 1u37 s VAL 21 CO 0.05 0.04 0.03 0.12 0.00 0.00 0.00 175.10 175.35 1u37 s PHE 22 N 1.47 3.56 -0.50 5.22 2.19 -1.22 -0.72 117.98 127.97 1u37 s PHE 22 Ca 0.67 -2.61 -0.16 0.00 0.33 0.00 0.00 56.93 55.17 1u37 s PHE 22 Cb -0.39 -2.64 0.10 0.00 -1.31 0.00 0.00 43.02 38.78 1u37 s PHE 22 CO 0.30 -0.92 0.44 0.42 1.83 0.00 0.00 175.22 177.30 1u37 s ILE 23 N 1.03 5.22 -0.34 3.12 -1.09 -0.12 -4.66 121.20 124.36 1u37 s ILE 23 Ca 0.04 -1.25 -0.12 0.00 -2.23 0.00 0.00 60.65 57.09 1u37 s ILE 23 Cb -0.20 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.45 1u37 s ILE 23 CO -0.06 -0.71 0.23 -1.61 -1.23 0.00 0.00 174.94 171.56 1u37 s GLU 24 N 1.64 3.39 0.00 2.79 2.02 -1.26 0.45 118.70 127.72 1u37 s GLU 24 Ca 0.04 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1u37 s GLU 24 Cb -0.27 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.18 1u37 s GLU 24 CO 0.05 -0.48 0.00 0.36 0.02 0.00 0.00 175.26 175.21 1u37 n LYS 25 N 5.08 0.97 -3.85 1.61 2.85 -0.46 -4.91 118.16 119.45 1u37 n LYS 25 Ca -0.13 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.77 1u37 n LYS 25 Cb 0.49 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.80 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 -1.61 3.64 -0.04 -1.58 1.11 -1.26 -4.09 119.66 115.83 1u37 s GLN 26 Ca 0.00 -0.16 -0.37 0.00 0.01 0.00 0.00 55.36 54.84 1u37 s GLN 26 Cb 0.00 -3.25 -0.15 0.00 -1.01 0.00 0.00 33.01 28.60 1u37 s GLN 26 CO 0.00 0.64 1.58 1.63 0.01 0.00 0.00 175.29 179.15 1u37 n LYS 27 N 2.42 1.45 0.00 2.91 5.02 -1.26 -1.52 118.16 127.18 1u37 n LYS 27 Ca -0.19 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1u37 n LYS 27 Cb 0.54 -2.23 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 3.46 1.08 3.13 0.72 0.00 0.20 -4.91 105.19 108.88 1u37 n GLY 28 Ca 0.21 0.00 -0.26 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 -0.63 1.74 0.43 1.61 0.41 0.42 -4.90 118.70 117.79 1u37 s GLU 29 Ca 0.00 -0.59 -0.21 0.00 -0.41 0.00 0.00 54.97 53.76 1u37 s GLU 29 Cb 0.00 -1.52 -0.11 0.00 -1.78 0.00 0.00 34.13 30.72 1u37 s GLU 29 CO 0.00 0.23 0.95 0.96 -0.49 0.00 0.00 175.26 176.91 1u37 s ILE 30 N 0.06 4.40 0.19 -1.63 -4.36 -1.26 -3.94 121.20 114.65 1u37 s ILE 30 Ca -0.04 1.48 -0.18 0.00 -0.26 0.00 0.00 60.65 61.65 1u37 s ILE 30 Cb -0.11 -3.60 0.14 0.00 1.25 0.00 0.00 42.46 40.14 1u37 s ILE 30 CO 0.02 -0.32 1.61 0.25 0.24 0.00 0.00 174.94 176.74 1u37 h LEU 31 N 1.90 -0.82 0.00 0.37 6.46 -1.79 -3.40 115.31 118.02 1u37 h LEU 31 Ca -0.49 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1u37 h LEU 31 Cb 1.18 0.44 0.00 0.00 -0.73 0.00 0.00 40.66 41.55 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 1.29 3.41 3.75 0.00 -1.26 -0.21 105.19 110.75 1u37 n GLY 32 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 3.35 -0.49 1.61 -7.23 -1.26 0.67 120.40 115.05 1u37 s VAL 33 Ca 0.00 -0.55 -0.07 0.00 -1.81 0.00 0.00 61.98 59.55 1u37 s VAL 33 Cb 0.00 -2.44 0.13 0.00 0.56 0.00 0.00 36.38 34.63 1u37 s VAL 33 CO 0.00 0.51 0.34 -0.69 -0.31 0.00 0.00 175.10 174.95 1u37 s VAL 34 N 0.40 4.00 0.22 1.32 1.01 0.22 -4.99 120.40 122.57 1u37 s VAL 34 Ca -0.08 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 59.91 1u37 s VAL 34 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1u37 s VAL 34 CO 0.04 -0.78 0.38 0.27 0.00 0.00 0.00 175.10 175.02 1u37 s ILE 35 N 1.11 5.23 0.04 2.22 -5.25 -1.25 0.20 121.20 123.49 1u37 s ILE 35 Ca 0.08 -0.57 -0.03 0.00 -0.99 0.00 0.00 60.65 59.15 1u37 s ILE 35 Cb -0.24 -3.78 -0.02 0.00 2.95 0.00 0.00 42.46 41.37 1u37 s ILE 35 CO -0.02 -0.24 0.02 0.68 -1.79 0.00 0.00 174.94 173.59 1u37 s VAL 36 N -1.92 0.15 -0.13 8.37 -7.23 0.38 -4.77 120.40 115.26 1u37 s VAL 36 Ca 0.37 -1.27 -0.35 0.00 -1.81 0.00 0.00 61.98 58.92 1u37 s VAL 36 Cb -0.10 -0.92 -0.12 0.00 0.56 0.00 0.00 36.38 35.80 1u37 s VAL 36 CO 0.30 -0.70 1.89 -1.84 -0.31 0.00 0.00 175.10 174.44 1u37 n GLU 37 N 0.78 2.02 -1.71 4.82 0.28 -1.26 0.51 120.64 126.08 1u37 n GLU 37 Ca -0.19 0.73 -0.43 0.00 -0.16 0.00 0.00 57.16 57.12 1u37 n GLU 37 Cb 0.58 -2.59 -0.02 0.00 1.43 0.00 0.00 31.44 30.84 1u37 n GLU 37 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1u37 n SER 38 N 6.74 3.35 -0.39 -1.84 3.41 -1.26 -4.84 113.62 118.79 1u37 n SER 38 Ca 0.24 1.15 0.09 0.00 -0.26 0.00 0.00 58.87 60.09 1u37 n SER 38 Cb 0.28 -1.52 -0.01 0.00 -0.26 0.00 0.00 64.21 62.69 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 2.05 -0.06 3.05 5.00 0.00 -1.26 -4.84 105.19 109.13 1u37 n GLY 39 Ca 0.09 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.19 -3.13 -2.09 1.61 2.14 -1.26 -5.05 117.44 109.47 1u37 n TRP 40 Ca 0.08 -1.34 0.04 0.00 2.07 0.00 0.00 57.50 58.34 1u37 n TRP 40 Cb 0.39 -0.60 0.05 0.00 -0.81 0.00 0.00 31.31 30.35 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 -1.11 1.84 0.11 -1.67 0.00 -1.26 -4.80 105.19 98.30 1u37 n GLY 41 Ca 0.13 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 1u37 n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1u37 h SER 42 N 0.62 0.08 -5.53 1.61 0.87 -2.02 -3.47 113.55 105.71 1u37 h SER 42 Ca -0.11 -0.07 -0.25 0.00 -1.23 0.00 0.00 61.79 60.14 1u37 h SER 42 Cb 1.54 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 63.36 1u37 h SER 42 CO 0.05 0.87 -0.33 -0.63 -0.53 0.00 0.00 176.83 176.26 1u37 s ILE 43 N -3.19 0.00 -0.28 2.23 1.09 -1.26 -5.10 121.20 114.69 1u37 s ILE 43 Ca -0.01 -1.72 -0.30 0.00 -1.10 0.00 0.00 60.65 57.52 1u37 s ILE 43 Cb 0.11 -2.49 -0.07 0.00 -1.06 0.00 0.00 42.46 38.95 1u37 s ILE 43 CO 0.80 0.00 2.24 0.00 -0.10 0.00 0.00 174.94 177.88 1u37 n LEU 44 N -0.46 2.87 -4.66 2.97 -0.00 -1.26 -4.88 117.00 111.58 1u37 n LEU 44 Ca 0.02 0.19 -0.47 0.00 -0.00 0.00 0.00 56.01 55.75 1u37 n LEU 44 Cb 0.63 -1.48 -0.04 0.00 -0.00 0.00 0.00 43.42 42.53 1u37 n LEU 44 CO 0.29 -0.77 1.16 -2.65 -0.00 0.00 0.00 177.39 175.42 1u37 n PRO 45 N 8.64 1.99 0.00 1.47 -0.02 -1.26 -4.84 135.00 140.99 1u37 n PRO 45 Ca 0.34 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1u37 n PRO 45 Cb 0.40 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1u37 n PRO 45 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1u37 n THR 46 N 3.33 0.00 -3.63 3.45 -2.24 -1.26 -4.08 114.28 109.84 1u37 n THR 46 Ca 0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.83 1u37 n THR 46 Cb 0.27 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.50 0.00 -0.21 2.28 -7.23 -1.24 -4.34 120.40 109.16 1u37 s VAL 47 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 1u37 s VAL 47 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1u37 s VAL 47 CO 0.00 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.07 1u37 s ILE 48 N 0.71 2.98 -0.57 -0.62 1.01 0.18 -1.77 121.20 123.11 1u37 s ILE 48 Ca -0.03 -0.67 -0.27 0.00 0.00 0.00 0.00 60.65 59.69 1u37 s ILE 48 Cb -0.05 -2.35 -0.25 0.00 0.01 0.00 0.00 42.46 39.82 1u37 s ILE 48 CO -0.05 0.43 1.83 -0.38 0.00 0.00 0.00 174.94 176.77 1u37 n ILE 49 N 4.74 0.76 0.04 2.92 5.41 -0.74 -0.47 119.36 132.02 1u37 n ILE 49 Ca -0.19 -0.70 0.22 0.00 1.00 0.00 0.00 62.75 63.08 1u37 n ILE 49 Cb 0.50 -2.11 0.71 0.00 -0.71 0.00 0.00 39.64 38.04 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 9.71 2.24 -1.33 -1.39 0.00 -0.57 0.21 119.26 128.13 1u37 h ALA 50 Ca 0.25 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.30 1u37 h ALA 50 Cb 0.78 0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.36 1u37 h ALA 50 CO 1.72 -0.80 0.74 0.54 0.00 0.00 0.00 179.25 181.45 1u37 s ASN 51 N -5.08 -0.21 0.28 0.00 4.22 -1.03 -4.77 114.94 108.34 1u37 s ASN 51 Ca -0.04 0.22 0.04 0.00 -2.14 0.00 0.00 52.86 50.94 1u37 s ASN 51 Cb 0.16 0.17 -0.06 0.00 1.28 0.00 0.00 41.25 42.80 1u37 s ASN 51 CO 0.55 -0.20 0.02 -0.32 -2.04 0.00 0.00 177.10 175.11 1u37 s MET 52 N -1.10 1.50 -0.06 3.55 -2.45 -1.26 0.71 119.30 120.17 1u37 s MET 52 Ca 0.03 -1.79 -0.27 0.00 -1.25 0.00 0.00 55.69 52.41 1u37 s MET 52 Cb -0.01 -0.75 -0.03 0.00 1.25 0.00 0.00 34.83 35.29 1u37 s MET 52 CO -0.03 -0.13 0.86 1.41 1.05 0.00 0.00 175.02 178.18 1u37 s MET 53 N -3.87 4.46 -0.42 4.11 1.75 0.21 -4.97 119.30 120.56 1u37 s MET 53 Ca 0.33 1.16 -0.27 0.00 -1.25 0.00 0.00 55.69 55.66 1u37 s MET 53 Cb 0.07 -3.48 -0.04 0.00 2.84 0.00 0.00 34.83 34.22 1u37 s MET 53 CO 0.12 -0.09 2.02 -1.58 -0.65 0.00 0.00 175.02 174.85 1u37 s HIS 54 N 1.23 1.50 0.00 4.11 2.46 -1.26 -1.76 115.29 121.57 1u37 s HIS 54 Ca 0.44 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.84 1u37 s HIS 54 Cb -0.19 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 1u37 s HIS 54 CO 0.21 -2.87 0.00 0.41 -2.47 0.00 0.00 174.74 170.02 1u37 n GLY 55 N 5.68 3.39 3.25 1.59 0.00 -1.26 -5.06 105.19 112.78 1u37 n GLY 55 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.77 -2.87 0.28 -0.02 0.00 -0.72 -3.98 105.19 96.11 1u37 n GLY 56 Ca 0.00 -1.20 0.07 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.90 0.25 -0.34 1.61 0.11 -1.67 0.97 132.00 130.03 1u37 h PRO 57 Ca -0.46 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1u37 h PRO 57 Cb 1.22 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1u37 h PRO 57 CO 0.32 0.16 0.17 0.00 -0.21 0.00 0.00 178.00 178.45 1u37 h ALA 58 N 1.65 0.42 -0.00 -0.75 0.00 -0.89 -0.82 119.26 118.87 1u37 h ALA 58 Ca 0.45 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.21 1u37 h ALA 58 Cb 0.80 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1u37 h ALA 58 CO -0.55 -0.19 -0.76 1.49 0.00 0.00 0.00 179.25 179.24 1u37 h GLU 59 N 0.36 0.01 -0.17 0.00 4.57 -1.35 -3.25 114.58 114.76 1u37 h GLU 59 Ca 0.14 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1u37 h GLU 59 Cb 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1u37 h GLU 59 CO -0.09 0.77 0.10 0.87 -1.18 0.00 0.00 179.01 179.47 1u37 h LYS 60 N 0.01 0.24 -0.99 1.92 1.57 0.15 -2.62 116.57 116.84 1u37 h LYS 60 Ca -0.01 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.90 1u37 h LYS 60 Cb 1.34 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.51 1u37 h LYS 60 CO 0.10 0.21 0.62 0.66 -0.57 0.00 0.00 179.45 180.47 1u37 h SER 61 N 0.19 0.82 -0.16 0.86 4.64 -1.20 -3.46 113.55 115.24 1u37 h SER 61 Ca 0.06 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1u37 h SER 61 Cb 0.04 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1u37 h SER 61 CO -0.01 0.37 -0.05 0.61 -0.87 0.00 0.00 176.83 176.88 1u37 n GLY 62 N -1.36 0.53 0.06 -0.77 0.00 -0.99 -4.90 105.19 97.77 1u37 n GLY 62 Ca 0.21 -0.93 -0.03 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 -2.66 0.09 -3.00 1.61 4.76 -1.26 -4.97 118.16 112.74 1u37 n LYS 63 Ca -0.03 0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1u37 n LYS 63 Cb 0.16 -1.05 -0.06 0.00 -1.84 0.00 0.00 35.03 32.24 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 -5.26 4.26 0.02 -0.35 1.43 -1.26 -5.03 118.68 112.50 1u37 s LEU 64 Ca -0.05 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1u37 s LEU 64 Cb 0.01 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 1u37 s LEU 64 CO 0.08 -0.83 -0.14 0.54 0.23 0.00 0.00 176.35 176.23 1u37 s ASN 65 N 2.03 4.11 -0.16 2.29 2.20 -1.26 -4.58 114.94 119.57 1u37 s ASN 65 Ca 0.29 -0.31 -0.40 0.00 -0.94 0.00 0.00 52.86 51.49 1u37 s ASN 65 Cb -0.13 -0.79 -0.18 0.00 -2.00 0.00 0.00 41.25 38.15 1u37 s ASN 65 CO 0.20 0.27 1.46 -0.38 -2.94 0.00 0.00 177.10 175.71 1u37 n ILE 66 N 1.58 0.09 0.00 0.54 5.41 -1.26 -1.10 119.36 124.62 1u37 n ILE 66 Ca -0.16 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1u37 n ILE 66 Cb 0.52 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 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 3.11 0.59 3.69 7.39 0.00 0.06 -5.00 105.19 115.04 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 -2.07 6.96 -1.25 1.61 1.01 -0.26 -4.69 116.67 117.98 1u37 s ASP 68 Ca 0.00 1.98 -0.15 0.00 0.71 0.00 0.00 52.55 55.08 1u37 s ASP 68 Cb 0.00 -2.56 0.13 0.00 1.01 0.00 0.00 42.92 41.50 1u37 s ASP 68 CO 0.00 -0.63 1.58 1.67 0.21 0.00 0.00 175.17 177.99 1u37 n GLN 69 N 5.10 3.30 -1.64 8.23 7.27 -0.76 -1.79 117.38 137.09 1u37 n GLN 69 Ca 0.12 -3.60 -0.42 0.00 0.07 0.00 0.00 57.00 53.16 1u37 n GLN 69 Cb 0.45 -3.23 -0.00 0.00 2.41 0.00 0.00 30.24 29.87 1u37 n GLN 69 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1u37 n ILE 70 N 5.33 2.21 -0.03 1.69 5.41 -0.73 -1.94 119.36 131.31 1u37 n ILE 70 Ca 0.42 -0.50 -0.04 0.00 1.00 0.00 0.00 62.75 63.64 1u37 n ILE 70 Cb 0.44 -1.27 -0.04 0.00 -0.71 0.00 0.00 39.64 38.06 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 0.40 1.98 -3.46 0.38 2.81 -0.69 -3.67 117.12 114.88 1u37 n MET 71 Ca 0.08 0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.84 1u37 n MET 71 Cb 0.36 -1.14 -0.03 0.00 -0.71 0.00 0.00 33.22 31.70 1u37 n MET 71 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1u37 s SER 72 N -4.06 -0.60 -0.16 7.83 0.15 -0.78 0.71 113.70 116.80 1u37 s SER 72 Ca -0.05 0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.84 1u37 s SER 72 Cb 0.02 0.58 0.04 0.00 -1.71 0.00 0.00 66.02 64.94 1u37 s SER 72 CO 0.20 -0.84 -0.05 -0.63 1.20 0.00 0.00 173.24 173.11 1u37 s ILE 73 N -2.85 1.09 -1.34 6.45 1.01 0.07 -0.86 121.20 124.77 1u37 s ILE 73 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1u37 s ILE 73 Cb -0.01 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1u37 s ILE 73 CO -0.05 0.17 0.00 0.59 0.00 0.00 0.00 174.94 175.65 1u37 n ASN 74 N 4.89 -3.85 0.00 3.58 3.02 0.12 -0.26 115.26 122.76 1u37 n ASN 74 Ca -0.12 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1u37 n ASN 74 Cb 0.48 -3.44 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 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 -0.48 1.02 3.21 7.41 0.00 -1.26 -4.96 105.19 110.12 1u37 n GLY 75 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 4.42 0.09 2.61 2.01 0.65 -5.06 115.64 118.35 1u37 s THR 76 Ca 0.00 -2.27 -0.31 0.00 0.31 0.00 0.00 61.69 59.42 1u37 s THR 76 Cb 0.00 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 1u37 s THR 76 CO 0.00 -0.87 1.41 -0.94 -0.69 0.00 0.00 174.62 173.54 1u37 s SER 77 N 2.02 6.81 -0.06 3.53 1.04 -1.26 -0.75 113.70 125.04 1u37 s SER 77 Ca 0.12 2.30 0.14 0.00 0.48 0.00 0.00 55.95 58.99 1u37 s SER 77 Cb -0.21 -2.58 0.52 0.00 0.10 0.00 0.00 66.02 63.85 1u37 s SER 77 CO -0.03 -0.68 1.40 0.18 0.98 0.00 0.00 173.24 175.08 1u37 n LEU 78 N 4.34 3.40 -4.58 2.42 4.32 0.22 -4.83 117.00 122.29 1u37 n LEU 78 Ca 0.12 -1.71 -0.42 0.00 -0.02 0.00 0.00 56.01 53.98 1u37 n LEU 78 Cb 0.42 -0.45 -0.03 0.00 -1.62 0.00 0.00 43.42 41.75 1u37 n LEU 78 CO 0.59 0.66 1.29 -0.69 -1.22 0.00 0.00 177.39 178.02 1u37 s VAL 79 N -1.61 3.77 0.00 4.08 1.01 -1.25 -3.08 120.40 123.31 1u37 s VAL 79 Ca 0.37 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1u37 s VAL 79 Cb 0.23 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1u37 s VAL 79 CO 0.20 -0.98 0.00 0.61 0.00 0.00 0.00 175.10 174.93 1u37 n GLY 80 N 5.25 1.90 3.76 4.51 0.00 -1.26 -5.07 105.19 114.28 1u37 n GLY 80 Ca 0.15 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 4.58 1.36 0.99 2.34 -1.18 -5.06 118.68 121.73 1u37 s LEU 81 Ca 0.00 1.72 -0.22 0.00 0.06 0.00 0.00 54.13 55.69 1u37 s LEU 81 Cb 0.00 -3.40 0.35 0.00 -0.56 0.00 0.00 46.19 42.57 1u37 s LEU 81 CO 0.00 0.15 1.00 -2.16 -1.06 0.00 0.00 176.35 174.27 1u37 s PRO 82 N -0.91 -2.49 0.38 1.48 0.04 -1.26 -4.76 135.00 127.46 1u37 s PRO 82 Ca 0.39 -0.02 0.10 0.00 0.04 0.00 0.00 61.00 61.50 1u37 s PRO 82 Cb -0.24 -1.44 0.74 0.00 0.04 0.00 0.00 34.50 33.60 1u37 s PRO 82 CO 0.28 -4.56 1.88 1.25 0.04 0.00 0.00 177.00 175.89 1u37 h LEU 83 N -3.19 0.20 -0.43 -3.56 5.85 -1.95 -2.65 115.31 109.58 1u37 h LEU 83 Ca -0.42 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1u37 h LEU 83 Cb 1.32 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 1u37 h LEU 83 CO 0.27 0.41 0.05 0.28 -0.34 0.00 0.00 178.44 179.11 1u37 h SER 84 N 0.19 -0.07 -0.21 1.25 0.02 -1.98 0.33 113.55 113.09 1u37 h SER 84 Ca 0.03 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1u37 h SER 84 Cb 0.46 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1u37 h SER 84 CO 0.03 -0.00 -0.09 0.74 -1.14 0.00 0.00 176.83 176.37 1u37 h THR 85 N 0.17 1.30 -0.65 -2.27 2.02 -1.85 -2.52 112.91 109.11 1u37 h THR 85 Ca 0.21 -1.13 0.06 0.00 0.77 0.00 0.00 66.41 66.32 1u37 h THR 85 Cb 0.29 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 1u37 h THR 85 CO -0.31 0.34 0.36 0.00 0.37 0.00 0.00 175.52 176.28 1u37 h GLN 87 N 0.66 -0.29 -0.47 0.00 1.08 -0.31 -1.88 115.11 113.90 1u37 h GLN 87 Ca 0.29 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.60 1u37 h GLN 87 Cb 0.18 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1u37 h GLN 87 CO -0.18 -0.19 0.32 1.03 -0.95 0.00 0.00 178.83 178.86 1u37 h SER 88 N -0.30 0.22 -0.30 1.46 0.87 -0.98 -0.33 113.55 114.19 1u37 h SER 88 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1u37 h SER 88 Cb 0.27 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1u37 h SER 88 CO -0.02 0.14 0.14 0.40 -0.53 0.00 0.00 176.83 176.95 1u37 h ILE 89 N 0.25 1.17 -0.49 2.23 2.04 -0.36 -0.40 117.51 121.94 1u37 h ILE 89 Ca 0.22 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1u37 h ILE 89 Cb 0.54 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1u37 h ILE 89 CO -0.04 0.17 0.23 0.40 0.00 0.00 0.00 178.15 178.91 1u37 h ILE 90 N 0.35 1.16 -0.12 -0.67 2.04 -0.57 -2.24 117.51 117.46 1u37 h ILE 90 Ca 0.10 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1u37 h ILE 90 Cb 0.15 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1u37 h ILE 90 CO -0.01 0.19 0.06 0.11 0.00 0.00 0.00 178.15 178.50 1u37 h LYS 91 N 0.68 0.16 0.00 2.37 1.79 -0.33 -1.56 116.57 119.69 1u37 h LYS 91 Ca 0.17 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1u37 h LYS 91 Cb 0.07 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1u37 h LYS 91 CO -0.02 0.20 0.00 0.41 -1.08 0.00 0.00 179.45 178.95 1u37 n GLY 92 N -0.89 -0.93 1.48 3.86 0.00 -0.24 -2.34 105.19 106.13 1u37 n GLY 92 Ca -0.05 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.75 4.40 0.08 0.99 4.77 -0.59 -4.14 117.00 120.78 1u37 n LEU 93 Ca 0.02 -2.29 -0.23 0.00 -0.03 0.00 0.00 56.01 53.47 1u37 n LEU 93 Cb 0.13 -0.64 -0.15 0.00 -2.33 0.00 0.00 43.42 40.43 1u37 n LEU 93 CO 0.11 0.68 -0.50 0.50 -1.33 0.00 0.00 177.39 176.86 1u37 h LYS 94 N 0.78 0.42 -2.26 3.23 3.64 -1.58 -3.32 116.57 117.46 1u37 h LYS 94 Ca 0.23 -0.71 -0.59 0.00 -1.27 0.00 0.00 60.65 58.30 1u37 h LYS 94 Cb 1.72 0.27 -0.42 0.00 -0.41 0.00 0.00 32.23 33.39 1u37 h LYS 94 CO 0.45 1.34 -0.61 0.27 -2.27 0.00 0.00 179.45 178.63 1u37 n ASN 95 N -3.62 4.33 -0.00 4.20 0.23 -1.26 0.16 115.26 119.30 1u37 n ASN 95 Ca -0.24 -3.63 -0.01 0.00 -0.53 0.00 0.00 54.58 50.18 1u37 n ASN 95 Cb 1.08 -0.60 -0.00 0.00 -2.08 0.00 0.00 39.78 38.18 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 0.05 0.02 -0.67 -3.83 1.13 -1.26 -4.82 117.38 108.00 1u37 n GLN 96 Ca 0.31 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 1u37 n GLN 96 Cb 0.39 -0.97 0.00 0.00 0.11 0.00 0.00 30.24 29.77 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 -2.58 0.00 -3.60 1.08 2.88 -1.26 -4.91 113.62 105.23 1u37 n SER 97 Ca -0.02 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.37 1u37 n SER 97 Cb 0.52 -0.05 -0.07 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.02 0.90 -0.25 -1.46 0.52 -1.20 -1.36 118.95 116.08 1u37 s ARG 98 Ca 0.00 0.79 -0.04 0.00 -0.52 0.00 0.00 55.73 55.96 1u37 s ARG 98 Cb 0.00 0.44 0.09 0.00 0.52 0.00 0.00 34.95 35.99 1u37 s ARG 98 CO 0.00 -0.16 0.12 0.08 0.02 0.00 0.00 175.30 175.36 1u37 s VAL 99 N -0.06 -0.09 -1.24 3.52 1.01 0.17 -4.87 120.40 118.84 1u37 s VAL 99 Ca -0.03 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1u37 s VAL 99 Cb -0.04 -0.85 0.18 0.00 0.00 0.00 0.00 36.38 35.68 1u37 s VAL 99 CO 0.04 -0.58 1.67 0.29 0.00 0.00 0.00 175.10 176.52 1u37 n LYS 100 N 5.26 3.58 -3.69 2.72 5.02 -1.25 -0.95 118.16 128.86 1u37 n LYS 100 Ca -0.06 -3.74 -0.37 0.00 -2.02 0.00 0.00 58.31 52.12 1u37 n LYS 100 Cb 0.44 -2.93 -0.11 0.00 -0.02 0.00 0.00 35.03 32.41 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 0.27 3.78 -0.36 -0.35 2.34 0.10 0.11 118.68 124.56 1u37 s LEU 101 Ca 0.40 -0.08 -0.23 0.00 0.06 0.00 0.00 54.13 54.28 1u37 s LEU 101 Cb 0.04 -2.03 0.01 0.00 -0.56 0.00 0.00 46.19 43.65 1u37 s LEU 101 CO 0.01 -0.02 0.76 0.20 -1.06 0.00 0.00 176.35 176.23 1u37 s ASN 102 N 1.57 6.53 0.44 1.48 -0.87 -0.04 -1.13 114.94 122.93 1u37 s ASN 102 Ca 0.07 0.32 0.07 0.00 -1.57 0.00 0.00 52.86 51.75 1u37 s ASN 102 Cb -0.15 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.25 38.66 1u37 s ASN 102 CO 0.07 -0.71 0.26 0.27 -2.57 0.00 0.00 177.10 174.42 1u37 s ILE 103 N 3.04 2.23 0.05 0.60 -4.36 -0.46 -1.70 121.20 120.60 1u37 s ILE 103 Ca 0.30 -1.59 0.07 0.00 -0.26 0.00 0.00 60.65 59.17 1u37 s ILE 103 Cb -0.13 -2.82 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 1u37 s ILE 103 CO 0.16 0.00 -0.19 0.68 0.24 0.00 0.00 174.94 175.83 1u37 s VAL 104 N -2.61 1.56 -1.48 8.37 -7.23 -0.82 0.34 120.40 118.53 1u37 s VAL 104 Ca 0.40 -1.21 0.12 0.00 -1.81 0.00 0.00 61.98 59.48 1u37 s VAL 104 Cb 0.01 -1.37 0.09 0.00 0.56 0.00 0.00 36.38 35.67 1u37 s VAL 104 CO 0.23 0.12 0.88 0.54 -0.31 0.00 0.00 175.10 176.56