#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 2.14 -0.15 -0.32 0.40 -1.26 -1.47 117.98 117.32 1u37 s PHE 18 Ca 0.00 1.44 -0.04 0.00 -0.60 0.00 0.00 56.93 57.73 1u37 s PHE 18 Cb 0.00 -3.75 0.07 0.00 0.51 0.00 0.00 43.02 39.85 1u37 s PHE 18 CO 0.00 -2.96 0.20 0.21 0.70 0.00 0.00 175.22 173.36 1u37 s LYS 19 N -3.20 0.12 -1.21 0.44 2.20 0.53 -4.91 119.74 113.71 1u37 s LYS 19 Ca 0.79 0.40 -0.19 0.00 -0.36 0.00 0.00 55.97 56.61 1u37 s LYS 19 Cb -0.39 -0.74 -0.02 0.00 -1.51 0.00 0.00 37.83 35.18 1u37 s LYS 19 CO 0.43 -0.48 1.94 -0.25 -0.36 0.00 0.00 175.35 176.64 1u37 n ASP 20 N 5.32 3.78 -4.66 1.43 9.92 -1.26 -1.59 116.55 129.48 1u37 n ASP 20 Ca -0.05 -2.80 -0.42 0.00 -0.53 0.00 0.00 54.79 50.98 1u37 n ASP 20 Cb 0.50 -1.60 -0.03 0.00 -0.64 0.00 0.00 41.12 39.35 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 5.69 3.48 -0.35 2.53 1.01 -0.43 -4.88 120.40 127.45 1u37 s VAL 21 Ca 0.56 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 63.18 1u37 s VAL 21 Cb 0.07 -3.42 0.09 0.00 0.00 0.00 0.00 36.38 33.12 1u37 s VAL 21 CO 0.06 -0.05 0.09 0.12 0.00 0.00 0.00 175.10 175.32 1u37 s PHE 22 N 3.84 3.51 -0.50 5.22 2.19 -1.22 -0.96 117.98 130.06 1u37 s PHE 22 Ca 0.74 -2.37 -0.16 0.00 0.33 0.00 0.00 56.93 55.47 1u37 s PHE 22 Cb -0.35 -2.75 0.09 0.00 -1.31 0.00 0.00 43.02 38.70 1u37 s PHE 22 CO 0.31 -0.91 0.46 0.42 1.83 0.00 0.00 175.22 177.33 1u37 s ILE 23 N 1.12 5.17 -0.40 3.12 -1.09 -0.33 -4.73 121.20 124.07 1u37 s ILE 23 Ca 0.04 -1.12 -0.18 0.00 -2.23 0.00 0.00 60.65 57.16 1u37 s ILE 23 Cb -0.21 -4.22 0.01 0.00 -1.58 0.00 0.00 42.46 36.47 1u37 s ILE 23 CO -0.04 -0.71 0.47 -0.70 -1.23 0.00 0.00 174.94 172.74 1u37 s GLU 24 N 1.78 3.27 0.03 2.79 2.12 -1.26 -0.17 118.70 127.26 1u37 s GLU 24 Ca 0.05 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1u37 s GLU 24 Cb -0.25 -3.92 -0.00 0.00 0.26 0.00 0.00 34.13 30.22 1u37 s GLU 24 CO 0.06 -0.80 0.01 0.36 -0.54 0.00 0.00 175.26 174.35 1u37 n LYS 25 N 5.70 0.89 -4.02 4.30 2.85 -0.62 -4.93 118.16 122.33 1u37 n LYS 25 Ca -0.06 -0.26 -0.34 0.00 -1.05 0.00 0.00 58.31 56.59 1u37 n LYS 25 Cb 0.48 0.14 -0.06 0.00 -0.65 0.00 0.00 35.03 34.94 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 -2.12 3.26 0.08 -1.58 1.11 -1.26 -4.12 119.66 115.02 1u37 s GLN 26 Ca 0.02 -0.33 -0.36 0.00 0.01 0.00 0.00 55.36 54.70 1u37 s GLN 26 Cb 0.00 -3.01 -0.15 0.00 -1.01 0.00 0.00 33.01 28.84 1u37 s GLN 26 CO 0.01 0.70 1.50 1.63 0.01 0.00 0.00 175.29 179.14 1u37 n LYS 27 N 1.47 1.61 -0.03 2.91 5.02 -1.26 -1.64 118.16 126.24 1u37 n LYS 27 Ca -0.15 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1u37 n LYS 27 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 3.12 0.99 3.12 0.72 0.00 0.28 -4.92 105.19 108.50 1u37 n GLY 28 Ca 0.19 -0.00 -0.29 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 -0.82 2.41 0.36 1.61 0.41 0.28 -4.92 118.70 118.04 1u37 s GLU 29 Ca 0.00 -0.66 -0.18 0.00 -0.41 0.00 0.00 54.97 53.73 1u37 s GLU 29 Cb 0.00 -1.90 -0.10 0.00 -1.78 0.00 0.00 34.13 30.35 1u37 s GLU 29 CO 0.00 0.08 0.83 0.96 -0.49 0.00 0.00 175.26 176.64 1u37 s ILE 30 N 0.57 4.55 0.25 -1.63 -4.36 -1.26 -4.45 121.20 114.87 1u37 s ILE 30 Ca -0.15 1.19 -0.04 0.00 -0.26 0.00 0.00 60.65 61.39 1u37 s ILE 30 Cb -0.17 -3.62 0.26 0.00 1.25 0.00 0.00 42.46 40.19 1u37 s ILE 30 CO 0.05 -0.23 1.66 0.25 0.24 0.00 0.00 174.94 176.92 1u37 h LEU 31 N 2.15 -0.09 0.00 0.37 6.46 -1.77 -3.41 115.31 119.02 1u37 h LEU 31 Ca -0.48 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 1u37 h LEU 31 Cb 1.18 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 1u37 h LEU 31 CO 0.64 -0.10 0.00 0.61 -0.62 0.00 0.00 178.44 178.97 1u37 n GLY 32 N -1.38 0.84 3.68 3.75 0.00 -1.26 -1.72 105.19 109.10 1u37 n GLY 32 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.08 5.25 -0.55 1.61 -7.23 -1.26 -0.16 120.40 115.98 1u37 s VAL 33 Ca 0.00 0.56 -0.13 0.00 -1.81 0.00 0.00 61.98 60.60 1u37 s VAL 33 Cb 0.00 -3.66 0.14 0.00 0.56 0.00 0.00 36.38 33.42 1u37 s VAL 33 CO 0.00 0.30 0.48 -0.69 -0.31 0.00 0.00 175.10 174.88 1u37 s VAL 34 N 1.10 4.91 0.09 1.32 1.01 0.17 -4.96 120.40 124.04 1u37 s VAL 34 Ca 0.16 -1.74 0.02 0.00 0.00 0.00 0.00 61.98 60.42 1u37 s VAL 34 Cb -0.14 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1u37 s VAL 34 CO 0.06 -0.86 0.18 0.27 0.00 0.00 0.00 175.10 174.75 1u37 s ILE 35 N 1.32 5.07 0.13 2.22 -5.25 -1.25 0.55 121.20 123.98 1u37 s ILE 35 Ca 0.06 -0.59 0.04 0.00 -0.99 0.00 0.00 60.65 59.17 1u37 s ILE 35 Cb -0.26 -3.49 -0.04 0.00 2.95 0.00 0.00 42.46 41.61 1u37 s ILE 35 CO 0.00 0.08 -0.10 0.68 -1.79 0.00 0.00 174.94 173.82 1u37 s VAL 36 N -1.53 1.08 -0.09 8.37 -7.23 0.22 -4.75 120.40 116.47 1u37 s VAL 36 Ca 0.33 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.21 1u37 s VAL 36 Cb -0.12 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 1u37 s VAL 36 CO 0.26 -0.73 2.02 -0.62 -0.31 0.00 0.00 175.10 175.72 1u37 n GLU 37 N -0.06 2.32 -1.82 4.82 -0.58 -1.26 0.11 120.64 124.17 1u37 n GLU 37 Ca -0.11 0.80 -0.41 0.00 -0.42 0.00 0.00 57.16 57.02 1u37 n GLU 37 Cb 0.60 -2.91 -0.03 0.00 -0.57 0.00 0.00 31.44 28.53 1u37 n GLU 37 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1u37 s SER 38 N 5.43 5.39 0.00 1.62 1.04 -1.26 -4.82 113.70 121.11 1u37 s SER 38 Ca 0.94 1.24 0.26 0.00 0.48 0.00 0.00 55.95 58.87 1u37 s SER 38 Cb -0.52 -2.52 0.56 0.00 0.10 0.00 0.00 66.02 63.64 1u37 s SER 38 CO 0.44 -2.12 1.46 0.61 0.98 0.00 0.00 173.24 174.61 1u37 n GLY 39 N 5.67 0.30 1.54 7.32 0.00 -1.26 -4.45 105.19 114.30 1u37 n GLY 39 Ca 0.27 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 0.48 -3.77 -2.03 1.61 2.14 -1.26 -5.02 117.44 109.59 1u37 n TRP 40 Ca 0.15 -0.46 -0.01 0.00 2.07 0.00 0.00 57.50 59.26 1u37 n TRP 40 Cb 0.46 -0.44 0.11 0.00 -0.81 0.00 0.00 31.31 30.63 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 0.73 4.01 0.13 -1.67 0.00 -1.26 -4.76 105.19 102.37 1u37 n GLY 41 Ca 0.07 -1.43 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 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 1.39 0.39 -2.12 1.61 0.87 -1.98 -3.49 113.55 110.21 1u37 h SER 42 Ca -0.00 -0.75 -0.05 0.00 -1.23 0.00 0.00 61.79 59.76 1u37 h SER 42 Cb 1.35 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1u37 h SER 42 CO 0.19 1.66 -0.04 -0.38 -0.53 0.00 0.00 176.83 177.73 1u37 n ILE 43 N -3.44 0.00 -2.15 2.23 -0.00 -1.26 -5.13 119.36 109.61 1u37 n ILE 43 Ca -0.26 -0.27 -0.42 0.00 -0.00 0.00 0.00 62.75 61.80 1u37 n ILE 43 Cb 1.05 0.15 -0.03 0.00 -0.00 0.00 0.00 39.64 40.82 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 4.38 -0.17 1.39 2.34 -1.26 -4.93 118.68 120.43 1u37 s LEU 44 Ca 0.04 2.37 -0.29 0.00 0.06 0.00 0.00 54.13 56.31 1u37 s LEU 44 Cb 0.00 -3.59 -0.05 0.00 -0.56 0.00 0.00 46.19 41.99 1u37 s LEU 44 CO 0.03 -0.65 2.01 -2.16 -1.06 0.00 0.00 176.35 174.52 1u37 s PRO 45 N 0.93 3.50 0.00 1.48 0.04 -1.26 -4.72 135.00 134.96 1u37 s PRO 45 Ca 0.64 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1u37 s PRO 45 Cb -0.37 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 29.92 1u37 s PRO 45 CO 0.32 -1.68 0.00 0.25 0.04 0.00 0.00 177.00 175.92 1u37 n THR 46 N 6.99 0.00 -3.54 1.26 -2.24 -1.26 -4.02 114.28 111.47 1u37 n THR 46 Ca 0.25 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.86 1u37 n THR 46 Cb 0.44 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.76 0.00 -0.18 2.28 -7.23 -1.25 -4.17 120.40 109.09 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 0.05 0.00 0.56 0.00 0.00 36.38 35.99 1u37 s VAL 47 CO 0.00 0.00 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.12 1u37 s ILE 48 N -0.89 1.10 -0.34 -0.62 1.01 0.30 -2.70 121.20 119.06 1u37 s ILE 48 Ca -0.09 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 1u37 s ILE 48 Cb -0.01 -1.32 -0.32 0.00 0.01 0.00 0.00 42.46 40.82 1u37 s ILE 48 CO 0.08 0.06 1.75 -0.38 0.00 0.00 0.00 174.94 176.45 1u37 n ILE 49 N 4.87 0.18 0.10 2.92 5.41 -0.46 -0.61 119.36 131.77 1u37 n ILE 49 Ca -0.12 -0.16 0.17 0.00 1.00 0.00 0.00 62.75 63.65 1u37 n ILE 49 Cb 0.47 -2.03 0.72 0.00 -0.71 0.00 0.00 39.64 38.09 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 10.25 2.21 -2.69 -1.39 0.00 -0.23 0.84 119.26 128.25 1u37 h ALA 50 Ca 0.21 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1u37 h ALA 50 Cb 0.78 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 1u37 h ALA 50 CO 1.77 -0.45 -0.39 -0.80 0.00 0.00 0.00 179.25 179.39 1u37 s ASN 51 N -6.20 0.04 -0.30 0.00 0.02 -0.40 -4.70 114.94 103.40 1u37 s ASN 51 Ca -0.05 -1.15 -0.12 0.00 -1.02 0.00 0.00 52.86 50.52 1u37 s ASN 51 Cb 0.18 0.47 0.16 0.00 0.02 0.00 0.00 41.25 42.08 1u37 s ASN 51 CO 0.66 -0.97 0.87 -0.32 0.02 0.00 0.00 177.10 177.36 1u37 s MET 52 N -4.08 0.38 -0.19 -0.60 1.75 -1.26 -0.66 119.30 114.64 1u37 s MET 52 Ca 0.30 0.90 -0.41 0.00 -1.25 0.00 0.00 55.69 55.24 1u37 s MET 52 Cb 0.03 0.54 -0.17 0.00 2.84 0.00 0.00 34.83 38.07 1u37 s MET 52 CO 0.10 -0.19 1.52 -0.12 -0.65 0.00 0.00 175.02 175.67 1u37 n MET 53 N 5.20 0.77 -1.99 4.11 1.56 0.77 -4.81 117.12 122.73 1u37 n MET 53 Ca -0.09 0.28 -0.41 0.00 -0.27 0.00 0.00 57.70 57.22 1u37 n MET 53 Cb 0.52 -1.89 -0.03 0.00 2.15 0.00 0.00 33.22 33.96 1u37 n MET 53 CO 0.00 0.00 0.00 -3.38 -0.73 0.00 0.00 175.97 171.86 1u37 s HIS 54 N 2.16 1.72 0.00 1.12 -3.43 -1.26 -1.88 115.29 113.71 1u37 s HIS 54 Ca 0.95 0.74 0.00 0.00 -0.80 0.00 0.00 55.06 55.95 1u37 s HIS 54 Cb -1.15 -4.08 0.00 0.00 -1.43 0.00 0.00 32.58 25.92 1u37 s HIS 54 CO 0.63 -2.69 0.00 0.41 -2.00 0.00 0.00 174.74 171.09 1u37 n GLY 55 N 5.55 2.53 2.66 -1.38 0.00 -1.26 -5.07 105.19 108.22 1u37 n GLY 55 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.96 -3.78 0.23 -0.02 0.00 -0.79 -4.11 105.19 94.76 1u37 n GLY 56 Ca 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 0.19 -0.16 1.61 0.11 -1.77 0.85 132.00 132.82 1u37 h PRO 57 Ca -0.32 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.80 1u37 h PRO 57 Cb 1.07 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1u37 h PRO 57 CO 0.19 0.13 0.04 0.00 -0.21 0.00 0.00 178.00 178.15 1u37 h ALA 58 N 1.50 0.17 0.00 -0.75 0.00 -1.65 -1.49 119.26 117.04 1u37 h ALA 58 Ca 0.31 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1u37 h ALA 58 Cb 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1u37 h ALA 58 CO -0.44 -0.40 -0.39 1.49 0.00 0.00 0.00 179.25 179.51 1u37 h GLU 59 N 0.12 0.00 -0.08 0.00 4.81 -1.55 -3.18 114.58 114.68 1u37 h GLU 59 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1u37 h GLU 59 Cb 0.05 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1u37 h GLU 59 CO -0.09 0.39 0.03 0.87 -0.73 0.00 0.00 179.01 179.48 1u37 h LYS 60 N 0.00 0.12 -0.95 1.92 1.79 0.15 -2.78 116.57 116.82 1u37 h LYS 60 Ca -0.00 -0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.61 1u37 h LYS 60 Cb 0.88 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.43 1u37 h LYS 60 CO 0.05 0.25 0.60 0.66 -1.08 0.00 0.00 179.45 179.93 1u37 h SER 61 N -0.03 0.68 0.00 0.86 4.64 -1.28 -3.46 113.55 114.97 1u37 h SER 61 Ca 0.03 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u37 h SER 61 Cb 0.17 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1u37 h SER 61 CO -0.00 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 1u37 n GLY 62 N -1.41 0.57 0.93 -0.77 0.00 -1.05 -4.96 105.19 98.50 1u37 n GLY 62 Ca 0.20 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.73 0.05 -2.03 1.61 4.76 -1.26 -5.03 118.16 114.54 1u37 n LYS 63 Ca 0.00 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 1u37 n LYS 63 Cb 0.25 -0.52 -0.03 0.00 -1.84 0.00 0.00 35.03 32.90 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 -6.76 4.37 -0.07 -0.35 1.43 -1.26 -5.01 118.68 111.03 1u37 s LEU 64 Ca -0.03 2.54 -0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1u37 s LEU 64 Cb 0.00 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.65 1u37 s LEU 64 CO 0.04 -0.74 -0.03 0.20 0.23 0.00 0.00 176.35 176.05 1u37 s ASN 65 N 0.96 1.43 -0.21 2.29 0.01 -1.26 -4.63 114.94 113.53 1u37 s ASN 65 Ca 0.66 -0.13 -0.19 0.00 -0.71 0.00 0.00 52.86 52.49 1u37 s ASN 65 Cb -0.41 -0.50 -0.08 0.00 0.41 0.00 0.00 41.25 40.66 1u37 s ASN 65 CO 0.33 -0.13 0.78 -0.38 -1.51 0.00 0.00 177.10 176.20 1u37 n ILE 66 N 4.69 0.00 0.00 0.60 5.41 -1.26 -1.18 119.36 127.62 1u37 n ILE 66 Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1u37 n ILE 66 Cb 0.50 -0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 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 2.41 1.02 3.74 7.39 0.00 0.29 -4.96 105.19 115.09 1u37 n GLY 67 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.50 6.84 -1.14 1.61 1.01 -0.32 -4.64 116.67 118.53 1u37 s ASP 68 Ca 0.00 2.49 -0.13 0.00 0.71 0.00 0.00 52.55 55.62 1u37 s ASP 68 Cb 0.00 -2.62 0.20 0.00 1.01 0.00 0.00 42.92 41.51 1u37 s ASP 68 CO 0.00 -0.55 1.30 -1.58 0.21 0.00 0.00 175.17 174.55 1u37 s GLN 69 N -0.48 4.05 0.37 8.23 -0.44 -0.96 -1.35 119.66 129.09 1u37 s GLN 69 Ca 0.56 -2.66 -0.27 0.00 -2.50 0.00 0.00 55.36 50.49 1u37 s GLN 69 Cb -0.38 -4.90 -0.11 0.00 -1.64 0.00 0.00 33.01 25.98 1u37 s GLN 69 CO 0.42 -1.62 1.21 -0.89 0.50 0.00 0.00 175.29 174.91 1u37 n ILE 70 N 4.20 2.23 -0.05 -2.34 5.41 -1.10 -1.60 119.36 126.10 1u37 n ILE 70 Ca 0.31 -0.50 -0.06 0.00 1.00 0.00 0.00 62.75 63.51 1u37 n ILE 70 Cb 0.43 -1.44 -0.06 0.00 -0.71 0.00 0.00 39.64 37.85 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 0.36 1.60 -3.56 0.38 1.56 -0.58 -3.87 117.12 113.01 1u37 n MET 71 Ca 0.06 0.03 -0.14 0.00 -0.27 0.00 0.00 57.70 57.38 1u37 n MET 71 Cb 0.37 -1.23 -0.05 0.00 2.15 0.00 0.00 33.22 34.46 1u37 n MET 71 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1u37 s SER 72 N -4.52 -0.46 -0.12 6.12 1.04 -0.94 0.96 113.70 115.77 1u37 s SER 72 Ca -0.09 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1u37 s SER 72 Cb 0.03 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1u37 s SER 72 CO 0.32 -0.74 -0.12 -0.63 0.98 0.00 0.00 173.24 173.05 1u37 s ILE 73 N -2.53 1.34 -0.64 -1.02 1.01 0.79 -1.15 121.20 118.99 1u37 s ILE 73 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1u37 s ILE 73 Cb -0.01 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.19 1u37 s ILE 73 CO -0.02 0.42 0.00 0.59 0.00 0.00 0.00 174.94 175.92 1u37 n ASN 74 N 4.69 -2.65 0.00 3.58 3.02 0.11 0.64 115.26 124.64 1u37 n ASN 74 Ca -0.16 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1u37 n ASN 74 Cb 0.50 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 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 -0.63 0.97 3.00 7.41 0.00 -1.22 -4.89 105.19 109.83 1u37 n GLY 75 Ca -0.09 -0.04 -0.31 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 2.50 0.20 2.61 2.01 0.21 -5.09 115.64 116.08 1u37 s THR 76 Ca 0.00 -2.75 -0.31 0.00 0.31 0.00 0.00 61.69 58.93 1u37 s THR 76 Cb 0.00 -2.79 -0.10 0.00 0.01 0.00 0.00 72.50 69.62 1u37 s THR 76 CO 0.00 -0.69 1.57 -0.44 -0.69 0.00 0.00 174.62 174.37 1u37 s SER 77 N 0.45 6.55 -0.26 3.53 0.01 -1.26 -0.15 113.70 122.56 1u37 s SER 77 Ca 0.14 2.69 0.10 0.00 1.31 0.00 0.00 55.95 60.19 1u37 s SER 77 Cb -0.22 -2.60 0.71 0.00 0.21 0.00 0.00 66.02 64.12 1u37 s SER 77 CO -0.04 -0.83 1.69 0.18 0.41 0.00 0.00 173.24 174.64 1u37 n LEU 78 N 3.56 5.59 -4.51 2.44 4.77 0.27 -4.83 117.00 124.30 1u37 n LEU 78 Ca 0.13 -2.88 -0.43 0.00 -0.03 0.00 0.00 56.01 52.80 1u37 n LEU 78 Cb 0.38 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 1u37 n LEU 78 CO 0.62 0.69 0.65 -0.69 -1.33 0.00 0.00 177.39 177.33 1u37 s VAL 79 N -2.70 4.51 0.00 4.08 1.01 -1.25 -3.90 120.40 122.14 1u37 s VAL 79 Ca 0.50 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1u37 s VAL 79 Cb 0.39 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1u37 s VAL 79 CO 0.13 -1.03 0.00 0.61 0.00 0.00 0.00 175.10 174.81 1u37 n GLY 80 N 5.12 1.77 3.78 4.51 0.00 -1.26 -5.08 105.19 114.04 1u37 n GLY 80 Ca -0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 4.41 1.07 0.99 2.34 -1.25 -5.05 118.68 121.19 1u37 s LEU 81 Ca 0.00 1.82 -0.13 0.00 0.06 0.00 0.00 54.13 55.89 1u37 s LEU 81 Cb 0.00 -3.89 0.23 0.00 -0.56 0.00 0.00 46.19 41.98 1u37 s LEU 81 CO 0.00 -0.01 1.07 -2.16 -1.06 0.00 0.00 176.35 174.19 1u37 s PRO 82 N -1.85 -0.17 0.34 1.48 0.04 -1.26 -4.79 135.00 128.78 1u37 s PRO 82 Ca 0.47 0.59 0.03 0.00 0.04 0.00 0.00 61.00 62.13 1u37 s PRO 82 Cb -0.20 -1.66 0.63 0.00 0.04 0.00 0.00 34.50 33.31 1u37 s PRO 82 CO 0.25 -3.16 1.96 1.25 0.04 0.00 0.00 177.00 177.35 1u37 h LEU 83 N -2.20 0.77 -0.42 -3.56 5.85 -1.97 -2.30 115.31 111.49 1u37 h LEU 83 Ca -0.58 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.21 1u37 h LEU 83 Cb 1.34 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 1u37 h LEU 83 CO 0.55 0.52 0.02 0.28 -0.34 0.00 0.00 178.44 179.47 1u37 h SER 84 N 0.89 -0.14 -0.47 1.25 0.02 -1.99 0.45 113.55 113.57 1u37 h SER 84 Ca 0.31 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1u37 h SER 84 Cb 0.11 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1u37 h SER 84 CO -0.10 -0.03 0.12 0.74 -1.14 0.00 0.00 176.83 176.42 1u37 h THR 85 N 0.13 1.23 0.25 -2.27 2.02 -1.78 -2.56 112.91 109.93 1u37 h THR 85 Ca 0.21 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1u37 h THR 85 Cb 0.29 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1u37 h THR 85 CO -0.33 0.29 -0.27 0.00 0.37 0.00 0.00 175.52 175.58 1u37 h GLN 87 N -0.56 -0.23 -0.76 0.00 7.50 -0.91 0.17 115.11 120.32 1u37 h GLN 87 Ca -0.00 0.02 0.19 0.00 0.50 0.00 0.00 58.65 59.35 1u37 h GLN 87 Cb 0.53 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.07 1u37 h GLN 87 CO -0.07 -0.16 0.52 0.77 -1.50 0.00 0.00 178.83 178.39 1u37 h SER 88 N -0.24 0.19 -0.11 1.46 0.02 -1.14 0.40 113.55 114.13 1u37 h SER 88 Ca 0.16 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.98 1u37 h SER 88 Cb 0.50 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1u37 h SER 88 CO -0.46 0.09 -0.44 0.40 -1.14 0.00 0.00 176.83 175.28 1u37 h ILE 89 N 0.20 1.30 0.06 3.27 2.04 0.50 0.43 117.51 125.31 1u37 h ILE 89 Ca 0.37 -1.63 -0.25 0.00 1.00 0.00 0.00 64.86 64.36 1u37 h ILE 89 Cb 1.17 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1u37 h ILE 89 CO -0.07 0.52 -1.08 0.40 0.00 0.00 0.00 178.15 177.92 1u37 h ILE 90 N 0.53 1.44 -0.09 -0.67 2.04 0.09 -3.26 117.51 117.58 1u37 h ILE 90 Ca 0.04 -2.70 -0.17 0.00 1.00 0.00 0.00 64.86 63.02 1u37 h ILE 90 Cb 0.98 2.65 0.01 0.00 -0.74 0.00 0.00 36.82 39.71 1u37 h ILE 90 CO 0.09 0.80 -0.60 0.11 0.00 0.00 0.00 178.15 178.54 1u37 h LYS 91 N 0.16 0.58 -0.01 2.37 1.57 -0.27 -3.12 116.57 117.86 1u37 h LYS 91 Ca -0.11 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1u37 h LYS 91 Cb 1.75 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 34.17 1u37 h LYS 91 CO 0.18 1.12 0.12 0.78 -0.57 0.00 0.00 179.45 181.08 1u37 h GLY 92 N 0.20 0.00 -4.09 3.86 0.00 -0.22 -2.61 103.07 100.20 1u37 h GLY 92 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.90 1u37 h GLY 92 CO 0.12 0.00 0.25 1.04 0.00 0.00 0.00 176.54 177.96 1u37 n LEU 93 N -3.06 6.22 0.07 3.11 4.77 -1.18 -4.37 117.00 122.56 1u37 n LEU 93 Ca -0.02 -3.64 -0.09 0.00 -0.03 0.00 0.00 56.01 52.23 1u37 n LEU 93 Cb 0.18 -1.21 -0.11 0.00 -2.33 0.00 0.00 43.42 39.95 1u37 n LEU 93 CO 0.18 1.56 0.12 0.50 -1.33 0.00 0.00 177.39 178.42 1u37 h LYS 94 N 2.50 0.06 -2.05 3.23 3.64 -1.68 -3.39 116.57 118.87 1u37 h LYS 94 Ca 0.31 -0.09 -0.56 0.00 -1.27 0.00 0.00 60.65 59.04 1u37 h LYS 94 Cb 0.91 0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.37 1u37 h LYS 94 CO 0.70 1.03 -0.99 0.09 -2.27 0.00 0.00 179.45 178.01 1u37 n ASN 95 N -3.41 1.10 -0.01 4.20 3.02 -1.26 0.10 115.26 119.01 1u37 n ASN 95 Ca -0.02 -2.90 -0.01 0.00 -0.03 0.00 0.00 54.58 51.63 1u37 n ASN 95 Cb 0.94 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 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 1.18 1.51 -0.92 3.52 1.13 -1.26 -4.82 117.38 117.71 1u37 n GLN 96 Ca 0.23 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1u37 n GLN 96 Cb 0.51 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.84 1u37 n GLN 96 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1u37 n SER 97 N -2.34 -0.58 -3.60 1.08 3.41 -1.26 -4.93 113.62 105.40 1u37 n SER 97 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.46 1u37 n SER 97 Cb 0.52 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 1u37 n SER 97 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u37 s ARG 98 N -0.21 0.79 -0.26 4.33 0.52 -1.20 -1.59 118.95 121.33 1u37 s ARG 98 Ca 0.00 0.65 -0.03 0.00 -0.52 0.00 0.00 55.73 55.83 1u37 s ARG 98 Cb 0.00 0.38 0.09 0.00 0.52 0.00 0.00 34.95 35.93 1u37 s ARG 98 CO 0.00 -0.15 0.10 0.08 0.02 0.00 0.00 175.30 175.35 1u37 s VAL 99 N -0.16 0.20 -1.20 3.52 1.01 0.76 -4.88 120.40 119.65 1u37 s VAL 99 Ca -0.02 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1u37 s VAL 99 Cb -0.03 -1.04 0.21 0.00 0.00 0.00 0.00 36.38 35.52 1u37 s VAL 99 CO 0.01 -0.55 1.56 0.29 0.00 0.00 0.00 175.10 176.42 1u37 n LYS 100 N 5.15 3.70 -3.70 2.72 5.02 -1.24 -1.18 118.16 128.62 1u37 n LYS 100 Ca -0.06 -3.96 -0.37 0.00 -2.02 0.00 0.00 58.31 51.90 1u37 n LYS 100 Cb 0.44 -2.83 -0.12 0.00 -0.02 0.00 0.00 35.03 32.51 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 -0.30 3.68 -0.50 -0.35 2.34 -0.13 0.04 118.68 123.45 1u37 s LEU 101 Ca 0.38 -0.19 -0.23 0.00 0.06 0.00 0.00 54.13 54.15 1u37 s LEU 101 Cb 0.02 -1.99 0.04 0.00 -0.56 0.00 0.00 46.19 43.70 1u37 s LEU 101 CO 0.01 -0.06 0.81 0.20 -1.06 0.00 0.00 176.35 176.25 1u37 s ASN 102 N 1.66 6.34 0.48 1.48 -0.87 -0.30 -1.32 114.94 122.40 1u37 s ASN 102 Ca 0.06 -0.39 0.08 0.00 -1.57 0.00 0.00 52.86 51.04 1u37 s ASN 102 Cb -0.16 -2.38 0.03 0.00 -0.02 0.00 0.00 41.25 38.72 1u37 s ASN 102 CO 0.06 -1.03 0.56 0.27 -2.57 0.00 0.00 177.10 174.39 1u37 s ILE 103 N 3.40 2.49 -0.01 0.60 -4.36 -0.62 -1.53 121.20 121.16 1u37 s ILE 103 Ca 0.27 -1.15 0.04 0.00 -0.26 0.00 0.00 60.65 59.55 1u37 s ILE 103 Cb -0.14 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.92 1u37 s ILE 103 CO 0.19 0.00 -0.15 0.68 0.24 0.00 0.00 174.94 175.90 1u37 s VAL 104 N -2.53 1.17 0.00 8.37 -7.23 -0.63 -0.34 120.40 119.21 1u37 s VAL 104 Ca 0.52 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 60.07 1u37 s VAL 104 Cb -0.06 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1u37 s VAL 104 CO 0.32 0.33 0.40 -1.14 -0.31 0.00 0.00 175.10 174.70