#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 3.08 -0.15 -0.32 0.08 -1.26 -1.02 117.98 118.39 1u37 s PHE 18 Ca 0.00 1.60 -0.04 0.00 0.12 0.00 0.00 56.93 58.60 1u37 s PHE 18 Cb 0.00 -3.12 0.07 0.00 -0.57 0.00 0.00 43.02 39.40 1u37 s PHE 18 CO 0.00 -0.83 0.26 0.15 -0.10 0.00 0.00 175.22 174.70 1u37 s LYS 19 N -2.90 0.17 -1.18 0.44 1.02 -0.64 -4.96 119.74 111.69 1u37 s LYS 19 Ca 0.63 0.63 -0.18 0.00 0.02 0.00 0.00 55.97 57.07 1u37 s LYS 19 Cb -0.20 -0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 36.80 1u37 s LYS 19 CO 0.24 -0.38 2.00 -0.25 -0.92 0.00 0.00 175.35 176.05 1u37 n ASP 20 N 5.35 3.53 -4.70 2.83 9.92 -1.26 -1.84 116.55 130.38 1u37 n ASP 20 Ca -0.06 -2.78 -0.42 0.00 -0.53 0.00 0.00 54.79 51.00 1u37 n ASP 20 Cb 0.50 -1.51 -0.03 0.00 -0.64 0.00 0.00 41.12 39.43 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 5.04 2.67 -0.35 2.53 1.01 -0.07 -4.84 120.40 126.40 1u37 s VAL 21 Ca 0.55 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 1u37 s VAL 21 Cb 0.10 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.41 1u37 s VAL 21 CO 0.04 0.00 0.08 0.12 0.00 0.00 0.00 175.10 175.34 1u37 s PHE 22 N 2.34 3.52 -0.49 5.22 2.19 -1.23 -0.65 117.98 128.89 1u37 s PHE 22 Ca 0.76 -2.41 -0.15 0.00 0.33 0.00 0.00 56.93 55.47 1u37 s PHE 22 Cb -0.44 -2.74 0.09 0.00 -1.31 0.00 0.00 43.02 38.63 1u37 s PHE 22 CO 0.34 -0.91 0.41 0.42 1.83 0.00 0.00 175.22 177.31 1u37 s ILE 23 N 1.11 5.08 -0.30 3.12 -1.09 -0.16 -4.69 121.20 124.26 1u37 s ILE 23 Ca 0.04 -1.27 -0.11 0.00 -2.23 0.00 0.00 60.65 57.08 1u37 s ILE 23 Cb -0.21 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1u37 s ILE 23 CO -0.04 -0.67 0.20 -1.61 -1.23 0.00 0.00 174.94 171.58 1u37 s GLU 24 N 1.59 3.80 0.00 2.79 2.02 -1.26 0.33 118.70 127.97 1u37 s GLU 24 Ca 0.04 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1u37 s GLU 24 Cb -0.26 -3.69 -0.00 0.00 0.10 0.00 0.00 34.13 30.28 1u37 s GLU 24 CO 0.05 -0.26 0.00 0.36 0.02 0.00 0.00 175.26 175.42 1u37 n LYS 25 N 5.07 0.66 -3.84 1.61 2.85 -0.55 -4.88 118.16 119.08 1u37 n LYS 25 Ca -0.14 -0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.76 1u37 n LYS 25 Cb 0.51 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.83 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 -2.00 3.73 -0.26 -1.58 1.11 -1.26 -4.12 119.66 115.28 1u37 s GLN 26 Ca 0.00 -0.18 -0.40 0.00 0.01 0.00 0.00 55.36 54.79 1u37 s GLN 26 Cb 0.00 -3.27 -0.16 0.00 -1.01 0.00 0.00 33.01 28.57 1u37 s GLN 26 CO 0.00 0.58 1.71 1.63 0.01 0.00 0.00 175.29 179.22 1u37 n LYS 27 N 2.62 1.10 0.00 2.91 5.02 -1.26 -1.46 118.16 127.08 1u37 n LYS 27 Ca -0.18 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1u37 n LYS 27 Cb 0.54 -2.07 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 4.07 1.26 3.15 0.72 0.00 0.22 -4.91 105.19 109.70 1u37 n GLY 28 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 1.19 0.39 1.61 0.41 0.53 -4.89 118.70 117.47 1u37 s GLU 29 Ca 0.00 -0.66 -0.00 0.00 -0.41 0.00 0.00 54.97 53.90 1u37 s GLU 29 Cb 0.00 -1.18 -0.02 0.00 -1.78 0.00 0.00 34.13 31.14 1u37 s GLU 29 CO 0.00 0.31 0.61 0.96 -0.49 0.00 0.00 175.26 176.65 1u37 s ILE 30 N -0.54 4.74 0.19 -1.63 -4.36 -1.26 -3.97 121.20 114.37 1u37 s ILE 30 Ca 0.05 -0.41 -0.18 0.00 -0.26 0.00 0.00 60.65 59.86 1u37 s ILE 30 Cb -0.07 -3.74 0.15 0.00 1.25 0.00 0.00 42.46 40.05 1u37 s ILE 30 CO 0.00 -0.52 1.61 0.25 0.24 0.00 0.00 174.94 176.53 1u37 h LEU 31 N 0.59 -0.81 0.00 0.37 5.85 -1.80 -3.40 115.31 116.11 1u37 h LEU 31 Ca -0.48 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1u37 h LEU 31 Cb 1.23 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1u37 h LEU 31 CO 0.60 -0.25 0.00 0.61 -0.34 0.00 0.00 178.44 179.06 1u37 n GLY 32 N -1.42 0.52 3.69 3.75 0.00 -1.26 0.11 105.19 110.58 1u37 n GLY 32 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 5.24 -0.61 1.61 -7.23 -1.26 0.59 120.40 116.73 1u37 s VAL 33 Ca 0.00 0.67 -0.18 0.00 -1.81 0.00 0.00 61.98 60.66 1u37 s VAL 33 Cb 0.00 -3.70 0.12 0.00 0.56 0.00 0.00 36.38 33.36 1u37 s VAL 33 CO 0.00 0.31 0.70 -0.69 -0.31 0.00 0.00 175.10 175.10 1u37 s VAL 34 N 0.96 4.93 0.11 1.32 1.01 -0.39 -4.92 120.40 123.43 1u37 s VAL 34 Ca 0.19 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1u37 s VAL 34 Cb -0.14 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 1u37 s VAL 34 CO 0.07 -1.10 0.30 0.27 0.00 0.00 0.00 175.10 174.64 1u37 s ILE 35 N 2.35 5.27 0.15 2.22 -5.25 -1.25 0.28 121.20 124.97 1u37 s ILE 35 Ca 0.11 -0.23 0.03 0.00 -0.99 0.00 0.00 60.65 59.58 1u37 s ILE 35 Cb -0.23 -3.64 -0.04 0.00 2.95 0.00 0.00 42.46 41.49 1u37 s ILE 35 CO 0.04 0.05 -0.06 0.68 -1.79 0.00 0.00 174.94 173.86 1u37 s VAL 36 N -1.62 0.92 -0.09 8.37 -7.23 0.28 -4.75 120.40 116.28 1u37 s VAL 36 Ca 0.38 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.25 1u37 s VAL 36 Cb -0.12 -1.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.85 1u37 s VAL 36 CO 0.27 -0.69 1.98 -1.61 -0.31 0.00 0.00 175.10 174.74 1u37 s GLU 37 N -3.82 3.77 0.41 4.82 0.41 -1.26 0.11 118.70 123.15 1u37 s GLU 37 Ca 0.18 2.27 -0.27 0.00 -0.41 0.00 0.00 54.97 56.74 1u37 s GLU 37 Cb 0.04 -4.20 -0.10 0.00 -1.78 0.00 0.00 34.13 28.09 1u37 s GLU 37 CO 0.00 -1.36 1.42 -1.13 -0.49 0.00 0.00 175.26 173.70 1u37 n SER 38 N 8.96 3.35 0.00 -0.19 3.41 -1.26 -4.86 113.62 123.03 1u37 n SER 38 Ca 0.23 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 60.01 1u37 n SER 38 Cb 0.43 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 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 0.58 0.36 1.55 5.00 0.00 -1.26 -4.72 105.19 106.70 1u37 n GLY 39 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.66 -3.59 -2.59 1.61 2.14 -1.26 -5.03 117.44 108.06 1u37 n TRP 40 Ca 0.00 -0.45 -0.15 0.00 2.07 0.00 0.00 57.50 58.97 1u37 n TRP 40 Cb 0.01 -0.47 0.02 0.00 -0.81 0.00 0.00 31.31 30.06 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 0.04 3.20 0.07 -1.67 0.00 -1.26 -4.80 105.19 100.77 1u37 n GLY 41 Ca 0.07 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 1u37 n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u37 n SER 42 N -0.26 1.72 -3.94 1.61 2.88 -1.26 -5.06 113.62 109.31 1u37 n SER 42 Ca 0.20 -0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.63 1u37 n SER 42 Cb 0.77 0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 64.89 1u37 n SER 42 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1u37 s ILE 43 N -2.33 0.00 -0.25 2.46 1.09 -1.26 -5.10 121.20 115.80 1u37 s ILE 43 Ca -0.09 -1.49 -0.30 0.00 -1.10 0.00 0.00 60.65 57.67 1u37 s ILE 43 Cb 0.04 -2.29 -0.07 0.00 -1.06 0.00 0.00 42.46 39.09 1u37 s ILE 43 CO 0.55 0.00 2.22 0.00 -0.10 0.00 0.00 174.94 177.60 1u37 n LEU 44 N -0.39 2.97 -4.62 2.97 -0.00 -1.26 -4.86 117.00 111.80 1u37 n LEU 44 Ca -0.01 0.25 -0.51 0.00 -0.00 0.00 0.00 56.01 55.74 1u37 n LEU 44 Cb 0.62 -1.48 -0.06 0.00 -0.00 0.00 0.00 43.42 42.51 1u37 n LEU 44 CO 0.24 -0.70 1.04 -2.65 -0.00 0.00 0.00 177.39 175.31 1u37 n PRO 45 N 8.62 1.41 0.00 1.47 -0.02 -1.26 -4.83 135.00 140.39 1u37 n PRO 45 Ca 0.33 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1u37 n PRO 45 Cb 0.39 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 3.05 0.00 -3.60 3.45 -2.24 -1.26 -4.11 114.28 109.57 1u37 n THR 46 Ca 0.19 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.82 1u37 n THR 46 Cb 0.21 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.78 0.00 -0.20 2.28 -7.23 -1.24 -4.25 120.40 108.98 1u37 s VAL 47 Ca 0.00 -0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.15 1u37 s VAL 47 Cb 0.00 -0.94 0.04 0.00 0.56 0.00 0.00 36.38 36.04 1u37 s VAL 47 CO 0.00 -0.02 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.04 1u37 s ILE 48 N -0.38 1.63 -0.47 -0.62 1.01 0.31 -2.21 121.20 120.47 1u37 s ILE 48 Ca -0.05 -1.00 -0.28 0.00 0.00 0.00 0.00 60.65 59.31 1u37 s ILE 48 Cb -0.03 -1.71 -0.30 0.00 0.01 0.00 0.00 42.46 40.43 1u37 s ILE 48 CO 0.05 0.17 1.80 -0.38 0.00 0.00 0.00 174.94 176.58 1u37 n ILE 49 N 4.69 0.28 0.18 2.92 5.41 -1.06 -0.56 119.36 131.21 1u37 n ILE 49 Ca -0.15 -0.26 0.13 0.00 1.00 0.00 0.00 62.75 63.48 1u37 n ILE 49 Cb 0.47 -2.04 0.69 0.00 -0.71 0.00 0.00 39.64 38.05 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 10.30 2.11 -3.75 -1.39 0.00 -0.50 0.51 119.26 126.55 1u37 h ALA 50 Ca 0.19 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 1u37 h ALA 50 Cb 0.80 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1u37 h ALA 50 CO 1.68 -0.23 -0.14 0.09 0.00 0.00 0.00 179.25 180.64 1u37 n ASN 51 N -4.37 -0.94 -3.63 0.00 5.03 -0.66 -4.76 115.26 105.93 1u37 n ASN 51 Ca 0.01 -2.42 -0.06 0.00 0.87 0.00 0.00 54.58 52.98 1u37 n ASN 51 Cb 0.27 1.79 -0.06 0.00 -1.02 0.00 0.00 39.78 40.77 1u37 n ASN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u37 s MET 52 N -2.64 0.32 0.04 3.52 0.23 -1.26 -1.26 119.30 118.26 1u37 s MET 52 Ca 0.22 0.23 -0.30 0.00 -1.03 0.00 0.00 55.69 54.81 1u37 s MET 52 Cb -0.00 0.15 -0.07 0.00 -1.53 0.00 0.00 34.83 33.38 1u37 s MET 52 CO 0.16 -0.07 1.62 1.41 -2.03 0.00 0.00 175.02 176.11 1u37 s MET 53 N -0.39 4.21 -0.87 3.16 1.75 0.20 -4.86 119.30 122.50 1u37 s MET 53 Ca 0.04 2.26 -0.26 0.00 -1.25 0.00 0.00 55.69 56.49 1u37 s MET 53 Cb -0.03 -3.66 -0.15 0.00 2.84 0.00 0.00 34.83 33.83 1u37 s MET 53 CO -0.07 -0.73 2.31 -3.38 -0.65 0.00 0.00 175.02 172.50 1u37 s HIS 54 N 2.84 1.20 0.00 4.11 -3.43 -1.26 -0.85 115.29 117.90 1u37 s HIS 54 Ca 0.73 1.97 0.00 0.00 -0.80 0.00 0.00 55.06 56.95 1u37 s HIS 54 Cb -0.38 -3.45 0.00 0.00 -1.43 0.00 0.00 32.58 27.32 1u37 s HIS 54 CO 0.31 -1.38 0.00 0.41 -2.00 0.00 0.00 174.74 172.09 1u37 n GLY 55 N 6.67 1.65 3.24 -1.38 0.00 -1.26 -5.09 105.19 109.01 1u37 n GLY 55 Ca 0.45 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.99 -3.01 0.24 -0.02 0.00 -0.03 -4.09 105.19 97.29 1u37 n GLY 56 Ca 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.04 0.17 -0.15 1.61 0.11 -1.69 0.99 132.00 130.01 1u37 h PRO 57 Ca -0.44 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1u37 h PRO 57 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1u37 h PRO 57 CO 0.30 0.11 0.01 0.00 -0.21 0.00 0.00 178.00 178.22 1u37 h ALA 58 N 1.55 0.14 0.00 -0.75 0.00 -0.63 -2.09 119.26 117.47 1u37 h ALA 58 Ca 0.34 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1u37 h ALA 58 Cb 0.54 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1u37 h ALA 58 CO -0.49 -0.43 -0.53 1.49 0.00 0.00 0.00 179.25 179.28 1u37 h GLU 59 N 0.07 0.00 -0.21 0.00 4.81 -1.58 -3.22 114.58 114.45 1u37 h GLU 59 Ca 0.07 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1u37 h GLU 59 Cb 0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1u37 h GLU 59 CO -0.10 0.53 0.04 0.87 -0.73 0.00 0.00 179.01 179.63 1u37 h LYS 60 N 0.00 0.12 -0.59 1.92 1.79 0.16 -2.40 116.57 117.57 1u37 h LYS 60 Ca -0.01 -0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.57 1u37 h LYS 60 Cb 1.11 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.65 1u37 h LYS 60 CO 0.07 0.08 0.12 0.66 -1.08 0.00 0.00 179.45 179.30 1u37 h SER 61 N 0.13 -0.01 0.00 0.86 4.64 -1.41 -3.46 113.55 114.31 1u37 h SER 61 Ca 0.09 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1u37 h SER 61 Cb 0.08 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1u37 h SER 61 CO -0.12 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.46 1u37 n GLY 62 N -1.32 3.19 0.17 -0.77 0.00 -0.91 -4.89 105.19 100.68 1u37 n GLY 62 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1u37 n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u37 h LYS 63 N 1.50 -0.34 -6.50 1.61 6.56 -1.86 -3.43 116.57 114.12 1u37 h LYS 63 Ca 0.00 0.02 -0.53 0.00 -1.06 0.00 0.00 60.65 59.08 1u37 h LYS 63 Cb 0.00 0.08 0.01 0.00 -0.57 0.00 0.00 32.23 31.74 1u37 h LYS 63 CO 0.00 -0.01 0.61 -0.51 -2.06 0.00 0.00 179.45 177.48 1u37 s LEU 64 N -9.49 4.37 -0.01 2.94 1.43 -1.26 -5.03 118.68 111.63 1u37 s LEU 64 Ca -0.14 2.10 0.02 0.00 -1.03 0.00 0.00 54.13 55.08 1u37 s LEU 64 Cb 0.02 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1u37 s LEU 64 CO 0.56 -0.52 -0.06 0.54 0.23 0.00 0.00 176.35 177.09 1u37 s ASN 65 N 1.08 0.84 -0.57 2.29 4.22 -1.26 -4.66 114.94 116.87 1u37 s ASN 65 Ca 0.60 -0.13 -0.41 0.00 -2.14 0.00 0.00 52.86 50.79 1u37 s ASN 65 Cb -0.31 -0.17 -0.19 0.00 1.28 0.00 0.00 41.25 41.86 1u37 s ASN 65 CO 0.29 0.05 2.18 -0.38 -2.04 0.00 0.00 177.10 177.20 1u37 n ILE 66 N 3.16 0.00 0.00 0.54 5.41 -1.26 -0.22 119.36 126.99 1u37 n ILE 66 Ca -0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.59 1u37 n ILE 66 Cb 0.56 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 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 7.12 1.22 3.66 7.39 0.00 0.18 -4.95 105.19 119.81 1u37 n GLY 67 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.11 6.72 -1.26 1.61 1.01 0.69 -4.65 116.67 119.67 1u37 s ASP 68 Ca 0.00 2.00 -0.19 0.00 0.71 0.00 0.00 52.55 55.06 1u37 s ASP 68 Cb 0.00 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.41 1u37 s ASP 68 CO 0.00 -0.91 1.80 -1.58 0.21 0.00 0.00 175.17 174.69 1u37 s GLN 69 N 3.94 3.51 0.50 8.23 -0.44 -0.11 -2.58 119.66 132.71 1u37 s GLN 69 Ca 0.67 -1.74 -0.22 0.00 -2.50 0.00 0.00 55.36 51.58 1u37 s GLN 69 Cb -0.29 -5.45 -0.08 0.00 -1.64 0.00 0.00 33.01 25.56 1u37 s GLN 69 CO 0.25 -2.82 1.07 -0.89 0.50 0.00 0.00 175.29 173.40 1u37 n ILE 70 N 6.85 3.03 -0.03 -2.34 5.41 -0.94 0.56 119.36 131.92 1u37 n ILE 70 Ca 0.48 -0.50 -0.04 0.00 1.00 0.00 0.00 62.75 63.69 1u37 n ILE 70 Cb 0.46 -1.28 -0.03 0.00 -0.71 0.00 0.00 39.64 38.08 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 -0.40 0.52 -3.78 0.38 1.56 -0.68 -3.64 117.12 111.09 1u37 n MET 71 Ca 0.10 0.03 -0.10 0.00 -0.27 0.00 0.00 57.70 57.47 1u37 n MET 71 Cb 0.43 -1.11 -0.05 0.00 2.15 0.00 0.00 33.22 34.64 1u37 n MET 71 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1u37 s SER 72 N -4.43 -0.19 -0.19 6.12 0.15 -0.87 0.11 113.70 114.41 1u37 s SER 72 Ca -0.07 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 56.01 1u37 s SER 72 Cb 0.02 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 64.92 1u37 s SER 72 CO 0.14 -1.00 -0.03 -0.63 1.20 0.00 0.00 173.24 172.92 1u37 s ILE 73 N -3.89 1.02 -0.65 6.45 1.01 0.13 -1.97 121.20 123.29 1u37 s ILE 73 Ca 0.11 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1u37 s ILE 73 Cb 0.00 -1.30 0.05 0.00 0.01 0.00 0.00 42.46 41.22 1u37 s ILE 73 CO -0.03 -0.01 0.17 -0.46 0.00 0.00 0.00 174.94 174.62 1u37 n ASN 74 N 4.89 -1.87 0.00 3.58 0.23 0.13 0.63 115.26 122.85 1u37 n ASN 74 Ca -0.11 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 1u37 n ASN 74 Cb 0.47 -1.67 0.00 0.00 -2.08 0.00 0.00 39.78 36.50 1u37 n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u37 n GLY 75 N -0.73 0.86 3.28 4.83 0.00 -1.26 -4.92 105.19 107.25 1u37 n GLY 75 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 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 5.04 -0.14 2.61 2.01 0.21 -5.03 115.64 118.34 1u37 s THR 76 Ca 0.00 -2.02 -0.29 0.00 0.31 0.00 0.00 61.69 59.69 1u37 s THR 76 Cb 0.00 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 1u37 s THR 76 CO 0.00 -0.91 2.08 -0.44 -0.69 0.00 0.00 174.62 174.66 1u37 s SER 77 N 2.67 5.86 0.08 3.53 0.01 -1.26 -0.69 113.70 123.90 1u37 s SER 77 Ca 0.10 2.12 0.27 0.00 1.31 0.00 0.00 55.95 59.75 1u37 s SER 77 Cb -0.21 -2.52 0.88 0.00 0.21 0.00 0.00 66.02 64.38 1u37 s SER 77 CO -0.02 -1.60 1.73 0.18 0.41 0.00 0.00 173.24 173.93 1u37 n LEU 78 N 10.03 0.42 -4.56 2.44 4.77 0.30 -4.65 117.00 125.75 1u37 n LEU 78 Ca 0.25 0.42 -0.39 0.00 -0.03 0.00 0.00 56.01 56.26 1u37 n LEU 78 Cb 0.44 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1u37 n LEU 78 CO 0.67 -0.05 1.98 0.52 -1.33 0.00 0.00 177.39 179.18 1u37 n VAL 79 N -1.82 0.05 0.00 4.08 0.31 -1.16 -1.10 118.33 118.68 1u37 n VAL 79 Ca 0.06 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1u37 n VAL 79 Cb 0.38 -2.59 0.00 0.00 -0.91 0.00 0.00 33.84 30.72 1u37 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u37 n GLY 80 N 5.99 2.05 3.65 2.92 0.00 -1.26 -5.05 105.19 113.49 1u37 n GLY 80 Ca 0.36 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1u37 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u37 s LEU 81 N 0.00 4.21 1.07 0.99 1.43 -0.26 -4.97 118.68 121.15 1u37 s LEU 81 Ca 0.00 2.15 -0.15 0.00 -1.03 0.00 0.00 54.13 55.09 1u37 s LEU 81 Cb 0.00 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.82 1u37 s LEU 81 CO 0.00 -1.04 0.41 -2.65 0.23 0.00 0.00 176.35 173.29 1u37 n PRO 82 N 7.34 -1.34 -0.30 1.29 -0.02 -1.26 -4.54 135.00 136.17 1u37 n PRO 82 Ca 0.18 -0.36 0.04 0.00 -2.02 0.00 0.00 63.50 61.35 1u37 n PRO 82 Cb 0.43 -1.89 0.19 0.00 -0.02 0.00 0.00 33.50 32.21 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 -2.05 0.66 -0.74 2.45 5.85 -1.93 -1.14 115.31 118.40 1u37 h LEU 83 Ca -0.52 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.37 1u37 h LEU 83 Cb 1.33 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 1u37 h LEU 83 CO 0.40 0.35 0.36 -1.28 -0.34 0.00 0.00 178.44 177.93 1u37 h SER 84 N 0.76 0.46 -0.25 1.25 0.87 -1.99 0.44 113.55 115.09 1u37 h SER 84 Ca 0.42 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.98 1u37 h SER 84 Cb 0.45 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1u37 h SER 84 CO -0.28 0.24 -0.13 0.74 -0.53 0.00 0.00 176.83 176.87 1u37 h THR 85 N 0.59 1.30 0.45 2.23 2.02 -1.56 -2.40 112.91 115.54 1u37 h THR 85 Ca 0.38 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1u37 h THR 85 Cb 0.44 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1u37 h THR 85 CO -0.30 0.38 -0.36 0.00 0.37 0.00 0.00 175.52 175.61 1u37 h GLN 87 N -0.81 -0.26 -0.93 0.00 7.50 -1.00 -0.06 115.11 119.55 1u37 h GLN 87 Ca -0.04 0.02 0.18 0.00 0.50 0.00 0.00 58.65 59.30 1u37 h GLN 87 Cb 0.70 0.06 -0.10 0.00 0.05 0.00 0.00 27.48 28.18 1u37 h GLN 87 CO -0.01 -0.18 0.51 0.66 -1.50 0.00 0.00 178.83 178.32 1u37 h SER 88 N -0.27 0.62 -0.50 1.46 4.64 -1.18 0.80 113.55 119.12 1u37 h SER 88 Ca 0.15 0.10 0.01 0.00 -0.47 0.00 0.00 61.79 61.58 1u37 h SER 88 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1u37 h SER 88 CO -0.46 0.21 0.32 0.40 -0.87 0.00 0.00 176.83 176.43 1u37 h ILE 89 N 0.66 1.11 -0.87 0.95 2.04 0.70 -0.64 117.51 121.47 1u37 h ILE 89 Ca 0.53 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 66.18 1u37 h ILE 89 Cb 0.83 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1u37 h ILE 89 CO -0.40 0.12 0.57 0.40 0.00 0.00 0.00 178.15 178.85 1u37 h ILE 90 N 0.65 1.22 -0.19 -0.67 2.04 0.01 -2.32 117.51 118.25 1u37 h ILE 90 Ca 0.19 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1u37 h ILE 90 Cb -0.06 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 35.96 1u37 h ILE 90 CO -0.05 0.21 0.06 0.11 0.00 0.00 0.00 178.15 178.48 1u37 h LYS 91 N 1.17 0.29 0.00 2.37 6.56 -0.33 -2.23 116.57 124.40 1u37 h LYS 91 Ca 0.32 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 1u37 h LYS 91 Cb -0.13 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.49 1u37 h LYS 91 CO -0.07 0.40 0.00 0.78 -2.06 0.00 0.00 179.45 178.50 1u37 h GLY 92 N 0.13 0.00 -3.20 3.86 0.00 -0.68 -2.19 103.07 100.99 1u37 h GLY 92 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.08 1u37 h GLY 92 CO -0.00 0.00 0.39 1.04 0.00 0.00 0.00 176.54 177.97 1u37 n LEU 93 N -2.31 5.39 0.12 3.11 4.77 -0.84 -4.24 117.00 123.00 1u37 n LEU 93 Ca -0.01 -2.83 -0.20 0.00 -0.03 0.00 0.00 56.01 52.94 1u37 n LEU 93 Cb 0.08 -0.76 -0.15 0.00 -2.33 0.00 0.00 43.42 40.27 1u37 n LEU 93 CO 0.13 0.89 -0.21 0.50 -1.33 0.00 0.00 177.39 177.37 1u37 h LYS 94 N 0.74 0.39 -2.27 3.23 3.64 -1.52 -3.39 116.57 117.40 1u37 h LYS 94 Ca 0.36 -0.67 -0.61 0.00 -1.27 0.00 0.00 60.65 58.46 1u37 h LYS 94 Cb 1.85 0.25 -0.41 0.00 -0.41 0.00 0.00 32.23 33.51 1u37 h LYS 94 CO 0.67 1.31 -0.53 0.27 -2.27 0.00 0.00 179.45 178.91 1u37 n ASN 95 N -3.60 4.49 -0.01 4.20 0.23 -1.26 0.20 115.26 119.50 1u37 n ASN 95 Ca -0.14 -3.63 -0.02 0.00 -0.53 0.00 0.00 54.58 50.26 1u37 n ASN 95 Cb 1.07 -0.63 -0.01 0.00 -2.08 0.00 0.00 39.78 38.13 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 0.07 -0.72 -3.83 1.13 -1.26 -4.82 117.38 107.99 1u37 n GLN 96 Ca 0.31 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 1u37 n GLN 96 Cb 0.39 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 29.74 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 -2.65 0.00 -3.63 1.08 2.88 -1.26 -4.91 113.62 105.13 1u37 n SER 97 Ca -0.05 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.36 1u37 n SER 97 Cb 0.55 -0.12 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.04 0.74 -0.25 -1.46 0.52 -1.22 -1.48 118.95 115.76 1u37 s ARG 98 Ca 0.00 0.86 -0.03 0.00 -0.52 0.00 0.00 55.73 56.04 1u37 s ARG 98 Cb 0.00 0.36 0.08 0.00 0.52 0.00 0.00 34.95 35.91 1u37 s ARG 98 CO 0.00 -0.09 0.09 0.08 0.02 0.00 0.00 175.30 175.40 1u37 s VAL 99 N 0.30 0.27 -1.23 3.52 1.01 0.15 -4.88 120.40 119.54 1u37 s VAL 99 Ca 0.01 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 1u37 s VAL 99 Cb -0.05 -1.07 0.19 0.00 0.00 0.00 0.00 36.38 35.44 1u37 s VAL 99 CO -0.01 -0.52 1.69 0.29 0.00 0.00 0.00 175.10 176.55 1u37 n LYS 100 N 5.12 3.65 -3.72 2.72 5.02 -1.24 -0.99 118.16 128.71 1u37 n LYS 100 Ca -0.06 -3.76 -0.36 0.00 -2.02 0.00 0.00 58.31 52.10 1u37 n LYS 100 Cb 0.44 -2.89 -0.10 0.00 -0.02 0.00 0.00 35.03 32.46 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 -0.05 3.91 -0.46 -0.35 2.34 0.18 0.21 118.68 124.47 1u37 s LEU 101 Ca 0.39 0.02 -0.22 0.00 0.06 0.00 0.00 54.13 54.38 1u37 s LEU 101 Cb 0.05 -2.05 0.03 0.00 -0.56 0.00 0.00 46.19 43.66 1u37 s LEU 101 CO 0.01 0.04 0.73 0.20 -1.06 0.00 0.00 176.35 176.28 1u37 s ASN 102 N 1.20 6.36 0.35 1.48 -0.87 -0.83 -0.89 114.94 121.73 1u37 s ASN 102 Ca 0.06 -0.28 0.07 0.00 -1.57 0.00 0.00 52.86 51.14 1u37 s ASN 102 Cb -0.14 -2.36 -0.01 0.00 -0.02 0.00 0.00 41.25 38.72 1u37 s ASN 102 CO 0.05 -0.89 0.49 0.27 -2.57 0.00 0.00 177.10 174.45 1u37 s ILE 103 N 3.13 3.92 -0.05 0.60 -4.36 -0.77 -1.68 121.20 121.99 1u37 s ILE 103 Ca 0.26 -0.99 0.06 0.00 -0.26 0.00 0.00 60.65 59.73 1u37 s ILE 103 Cb -0.13 -3.35 -0.01 0.00 1.25 0.00 0.00 42.46 40.21 1u37 s ILE 103 CO 0.20 -0.14 -0.24 -0.69 0.24 0.00 0.00 174.94 174.31 1u37 s VAL 104 N -2.20 2.15 -0.45 8.37 1.01 0.19 -1.63 120.40 127.84 1u37 s VAL 104 Ca 0.46 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1u37 s VAL 104 Cb -0.10 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1u37 s VAL 104 CO 0.31 0.57 0.61 0.54 0.00 0.00 0.00 175.10 177.14