#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 3.07 -0.19 4.31 0.08 -1.26 -0.78 117.98 123.21 1u37 s PHE 18 Ca 0.00 1.60 -0.04 0.00 0.12 0.00 0.00 56.93 58.61 1u37 s PHE 18 Cb 0.00 -3.12 0.09 0.00 -0.57 0.00 0.00 43.02 39.42 1u37 s PHE 18 CO 0.00 -0.85 0.28 0.15 -0.10 0.00 0.00 175.22 174.70 1u37 s LYS 19 N -2.93 0.22 -1.21 0.44 1.02 -0.63 -4.95 119.74 111.70 1u37 s LYS 19 Ca 0.64 0.50 -0.18 0.00 0.02 0.00 0.00 55.97 56.95 1u37 s LYS 19 Cb -0.20 -0.58 -0.02 0.00 -0.52 0.00 0.00 37.83 36.51 1u37 s LYS 19 CO 0.24 -0.51 1.99 -0.25 -0.92 0.00 0.00 175.35 175.90 1u37 n ASP 20 N 5.34 3.66 -4.70 2.83 8.00 -1.26 -1.59 116.55 128.84 1u37 n ASP 20 Ca -0.05 -2.80 -0.42 0.00 0.71 0.00 0.00 54.79 52.23 1u37 n ASP 20 Cb 0.50 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.01 1u37 n ASP 20 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u37 s VAL 21 N 5.03 2.62 -0.33 2.53 1.01 -0.29 -4.82 120.40 126.15 1u37 s VAL 21 Ca 0.54 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1u37 s VAL 21 Cb 0.10 -3.13 0.09 0.00 0.00 0.00 0.00 36.38 33.44 1u37 s VAL 21 CO 0.04 0.00 0.03 0.12 0.00 0.00 0.00 175.10 175.29 1u37 s PHE 22 N 2.41 3.55 -0.49 5.22 2.19 -1.22 -0.72 117.98 128.91 1u37 s PHE 22 Ca 0.77 -2.58 -0.16 0.00 0.33 0.00 0.00 56.93 55.30 1u37 s PHE 22 Cb -0.45 -2.63 0.09 0.00 -1.31 0.00 0.00 43.02 38.73 1u37 s PHE 22 CO 0.34 -0.92 0.43 0.42 1.83 0.00 0.00 175.22 177.33 1u37 s ILE 23 N 1.04 5.22 -0.43 3.12 -1.09 -0.41 -4.68 121.20 123.98 1u37 s ILE 23 Ca 0.03 -1.21 -0.18 0.00 -2.23 0.00 0.00 60.65 57.06 1u37 s ILE 23 Cb -0.20 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.51 1u37 s ILE 23 CO -0.06 -0.68 0.49 -0.70 -1.23 0.00 0.00 174.94 172.77 1u37 s GLU 24 N 1.63 3.14 0.01 2.79 -6.30 -1.26 -0.31 118.70 118.39 1u37 s GLU 24 Ca 0.04 -0.67 0.00 0.00 -2.50 0.00 0.00 54.97 51.84 1u37 s GLU 24 Cb -0.26 -3.97 -0.00 0.00 0.00 0.00 0.00 34.13 29.90 1u37 s GLU 24 CO 0.05 -0.90 0.00 0.36 0.02 0.00 0.00 175.26 174.80 1u37 n LYS 25 N 5.77 1.20 -4.11 4.30 2.85 -0.53 -4.92 118.16 122.72 1u37 n LYS 25 Ca -0.06 -0.10 -0.36 0.00 -1.05 0.00 0.00 58.31 56.74 1u37 n LYS 25 Cb 0.47 0.05 -0.08 0.00 -0.65 0.00 0.00 35.03 34.82 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 -2.05 3.33 -0.13 -1.58 1.11 -1.26 -4.11 119.66 114.98 1u37 s GLN 26 Ca 0.00 -0.29 -0.39 0.00 0.01 0.00 0.00 55.36 54.70 1u37 s GLN 26 Cb 0.00 -3.02 -0.16 0.00 -1.01 0.00 0.00 33.01 28.81 1u37 s GLN 26 CO 0.00 0.66 1.56 1.63 0.01 0.00 0.00 175.29 179.15 1u37 n LYS 27 N 2.31 1.09 0.00 2.91 4.01 -1.26 -1.54 118.16 125.68 1u37 n LYS 27 Ca -0.19 0.40 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 1u37 n LYS 27 Cb 0.54 -2.06 0.00 0.00 -0.51 0.00 0.00 35.03 33.00 1u37 n LYS 27 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u37 n GLY 28 N 3.44 1.12 2.98 0.72 0.00 0.30 -4.90 105.19 108.84 1u37 n GLY 28 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.57 1.61 0.50 1.61 0.41 0.48 -4.90 118.70 117.83 1u37 s GLU 29 Ca 0.00 -0.35 -0.17 0.00 -0.41 0.00 0.00 54.97 54.04 1u37 s GLU 29 Cb 0.00 -1.44 -0.08 0.00 -1.78 0.00 0.00 34.13 30.82 1u37 s GLU 29 CO 0.00 -0.08 0.98 0.96 -0.49 0.00 0.00 175.26 176.63 1u37 s ILE 30 N 1.02 4.51 0.19 -1.63 -4.36 -1.26 -4.27 121.20 115.40 1u37 s ILE 30 Ca -0.08 1.26 -0.18 0.00 -0.26 0.00 0.00 60.65 61.39 1u37 s ILE 30 Cb -0.15 -3.70 0.15 0.00 1.25 0.00 0.00 42.46 40.01 1u37 s ILE 30 CO -0.01 -0.62 1.61 0.25 0.24 0.00 0.00 174.94 176.41 1u37 h LEU 31 N 1.09 -0.84 0.00 0.37 6.46 -1.77 -3.42 115.31 117.20 1u37 h LEU 31 Ca -0.47 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1u37 h LEU 31 Cb 1.18 0.46 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 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 0.68 3.65 3.75 0.00 -1.26 -1.90 105.19 108.69 1u37 n GLY 32 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 5.19 -0.54 1.61 -7.23 -1.26 0.03 120.40 116.20 1u37 s VAL 33 Ca 0.00 0.69 -0.16 0.00 -1.81 0.00 0.00 61.98 60.70 1u37 s VAL 33 Cb 0.00 -3.73 0.13 0.00 0.56 0.00 0.00 36.38 33.34 1u37 s VAL 33 CO 0.00 0.22 0.51 -0.69 -0.31 0.00 0.00 175.10 174.83 1u37 s VAL 34 N 1.54 5.20 0.01 1.32 1.01 0.38 -4.99 120.40 124.87 1u37 s VAL 34 Ca 0.18 -1.49 -0.10 0.00 0.00 0.00 0.00 61.98 60.57 1u37 s VAL 34 Cb -0.15 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 1u37 s VAL 34 CO 0.08 -0.88 0.33 0.27 0.00 0.00 0.00 175.10 174.91 1u37 s ILE 35 N 1.63 5.19 0.38 2.22 -5.25 -1.25 0.08 121.20 124.21 1u37 s ILE 35 Ca 0.03 0.47 0.08 0.00 -0.99 0.00 0.00 60.65 60.24 1u37 s ILE 35 Cb -0.30 -3.61 -0.07 0.00 2.95 0.00 0.00 42.46 41.44 1u37 s ILE 35 CO 0.03 0.45 0.01 0.68 -1.79 0.00 0.00 174.94 174.33 1u37 s VAL 36 N -1.21 2.23 -0.46 8.37 -7.23 0.12 -4.66 120.40 117.56 1u37 s VAL 36 Ca 0.26 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.16 1u37 s VAL 36 Cb -0.14 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 1u37 s VAL 36 CO 0.14 -0.08 1.84 -1.61 -0.31 0.00 0.00 175.10 175.07 1u37 s GLU 37 N -3.72 2.99 0.04 4.82 2.02 -1.26 0.69 118.70 124.28 1u37 s GLU 37 Ca 0.35 1.06 -0.30 0.00 0.02 0.00 0.00 54.97 56.10 1u37 s GLU 37 Cb 0.05 -4.29 -0.08 0.00 0.10 0.00 0.00 34.13 29.92 1u37 s GLU 37 CO 0.19 -2.28 1.68 -1.54 0.02 0.00 0.00 175.26 173.33 1u37 s SER 38 N 7.12 6.61 0.00 -0.19 1.04 -1.26 -4.88 113.70 122.14 1u37 s SER 38 Ca 0.74 2.44 0.01 0.00 0.48 0.00 0.00 55.95 59.62 1u37 s SER 38 Cb -0.18 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.40 1u37 s SER 38 CO 0.28 -0.91 0.74 0.61 0.98 0.00 0.00 173.24 174.94 1u37 n GLY 39 N 4.07 0.48 1.95 7.32 0.00 -1.26 -4.36 105.19 113.39 1u37 n GLY 39 Ca 0.16 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.16 -3.66 -2.72 1.61 2.14 -1.26 -5.02 117.44 108.38 1u37 n TRP 40 Ca 0.01 -0.57 -0.23 0.00 2.07 0.00 0.00 57.50 58.78 1u37 n TRP 40 Cb 0.12 -0.59 -0.01 0.00 -0.81 0.00 0.00 31.31 30.02 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 -0.81 4.90 0.04 -1.67 0.00 -1.26 -4.75 105.19 101.64 1u37 n GLY 41 Ca 0.08 -2.42 -0.04 0.00 0.00 0.00 0.00 46.02 43.65 1u37 n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u37 n SER 42 N -0.26 3.27 -3.04 1.61 7.64 -1.26 -5.09 113.62 116.49 1u37 n SER 42 Ca 0.30 -0.02 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 1u37 n SER 42 Cb 0.61 0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 64.20 1u37 n SER 42 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1u37 s ILE 43 N -2.17 0.00 0.29 0.44 1.09 -1.26 -5.14 121.20 114.45 1u37 s ILE 43 Ca -0.06 -1.44 -0.30 0.00 -1.10 0.00 0.00 60.65 57.75 1u37 s ILE 43 Cb 0.02 -2.77 -0.11 0.00 -1.06 0.00 0.00 42.46 38.55 1u37 s ILE 43 CO 0.26 0.00 1.56 -1.48 -0.10 0.00 0.00 174.94 175.19 1u37 s LEU 44 N -3.22 4.35 0.43 2.97 0.05 -1.26 -4.96 118.68 117.04 1u37 s LEU 44 Ca 0.27 2.91 -0.24 0.00 0.05 0.00 0.00 54.13 57.12 1u37 s LEU 44 Cb -0.02 -3.63 -0.08 0.00 -2.05 0.00 0.00 46.19 40.41 1u37 s LEU 44 CO 0.19 -0.88 1.13 -2.16 -0.55 0.00 0.00 176.35 174.09 1u37 s PRO 45 N -0.56 3.95 0.06 1.48 0.04 -1.26 -4.83 135.00 133.89 1u37 s PRO 45 Ca 0.62 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1u37 s PRO 45 Cb -0.47 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1u37 s PRO 45 CO 0.48 -0.37 0.00 -2.37 0.04 0.00 0.00 177.00 174.78 1u37 n THR 46 N -0.22 0.00 -3.48 1.26 5.66 -1.26 -4.32 114.28 111.92 1u37 n THR 46 Ca 0.06 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.95 1u37 n THR 46 Cb 0.48 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.24 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 -1.51 0.00 -0.13 1.08 -7.23 -1.25 -4.38 120.40 106.97 1u37 s VAL 47 Ca 0.00 -0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.02 1u37 s VAL 47 Cb 0.00 -1.12 0.06 0.00 0.56 0.00 0.00 36.38 35.88 1u37 s VAL 47 CO 0.00 0.00 0.14 -0.63 -0.31 0.00 0.00 175.10 174.30 1u37 s ILE 48 N -3.69 -0.21 -0.32 -0.62 1.01 0.22 -3.74 121.20 113.85 1u37 s ILE 48 Ca 0.03 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 1u37 s ILE 48 Cb -0.02 -0.44 -0.33 0.00 0.01 0.00 0.00 42.46 41.69 1u37 s ILE 48 CO -0.10 -0.05 1.74 -0.38 0.00 0.00 0.00 174.94 176.14 1u37 n ILE 49 N 5.31 0.20 -0.07 2.92 5.41 -1.05 0.16 119.36 132.23 1u37 n ILE 49 Ca -0.05 -0.18 0.21 0.00 1.00 0.00 0.00 62.75 63.73 1u37 n ILE 49 Cb 0.50 -2.03 0.67 0.00 -0.71 0.00 0.00 39.64 38.06 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 10.17 2.51 -2.84 -1.39 0.00 -0.69 0.61 119.26 127.64 1u37 h ALA 50 Ca 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1u37 h ALA 50 Cb 0.77 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1u37 h ALA 50 CO 1.80 -0.70 -0.05 1.21 0.00 0.00 0.00 179.25 181.51 1u37 s ASN 51 N -6.04 -0.15 -0.22 0.00 2.47 -1.03 -4.71 114.94 105.26 1u37 s ASN 51 Ca -0.05 -0.74 -0.12 0.00 0.42 0.00 0.00 52.86 52.37 1u37 s ASN 51 Cb 0.20 0.58 0.07 0.00 -1.45 0.00 0.00 41.25 40.66 1u37 s ASN 51 CO 0.75 -1.11 0.52 -0.32 -3.72 0.00 0.00 177.10 173.22 1u37 s MET 52 N -3.95 0.51 -0.67 0.43 -2.45 -1.26 -0.47 119.30 111.44 1u37 s MET 52 Ca 0.16 0.98 -0.27 0.00 -1.25 0.00 0.00 55.69 55.32 1u37 s MET 52 Cb -0.01 0.08 -0.13 0.00 1.25 0.00 0.00 34.83 36.02 1u37 s MET 52 CO 0.04 -0.16 2.48 -0.12 1.05 0.00 0.00 175.02 178.31 1u37 n MET 53 N 4.38 0.68 -1.68 4.11 1.56 0.11 -4.84 117.12 121.44 1u37 n MET 53 Ca -0.21 -0.08 -0.51 0.00 -0.27 0.00 0.00 57.70 56.62 1u37 n MET 53 Cb 0.56 -2.87 -0.06 0.00 2.15 0.00 0.00 33.22 33.00 1u37 n MET 53 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1u37 n HIS 54 N 14.42 2.13 -1.01 1.12 8.25 -1.26 -0.60 115.22 138.26 1u37 n HIS 54 Ca 0.47 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 1u37 n HIS 54 Cb 0.39 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 28.96 1u37 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u37 n GLY 55 N 3.91 0.48 0.12 -1.41 0.00 -1.26 -5.06 105.19 101.98 1u37 n GLY 55 Ca 0.22 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.56 3.05 0.20 -0.02 0.00 0.23 -4.85 105.19 101.24 1u37 n GLY 56 Ca 0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 46.02 43.82 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 0.21 -0.12 1.61 0.11 -1.80 1.08 132.00 133.08 1u37 h PRO 57 Ca -0.01 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1u37 h PRO 57 Cb 0.04 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1u37 h PRO 57 CO 0.02 0.14 0.03 0.00 -0.21 0.00 0.00 178.00 177.97 1u37 h ALA 58 N 1.40 0.13 -0.01 -0.75 0.00 -1.69 -2.16 119.26 116.17 1u37 h ALA 58 Ca 0.25 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1u37 h ALA 58 Cb 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1u37 h ALA 58 CO -0.34 -0.42 -0.65 0.93 0.00 0.00 0.00 179.25 178.76 1u37 h GLU 59 N 0.08 0.03 -0.32 0.00 4.39 -1.69 -3.22 114.58 113.85 1u37 h GLU 59 Ca 0.05 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.78 1u37 h GLU 59 Cb 0.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1u37 h GLU 59 CO -0.07 0.67 0.05 0.87 -1.16 0.00 0.00 179.01 179.37 1u37 h LYS 60 N 0.02 0.15 -0.97 2.33 1.57 0.17 -1.81 116.57 118.03 1u37 h LYS 60 Ca -0.01 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1u37 h LYS 60 Cb 1.16 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.37 1u37 h LYS 60 CO 0.09 0.10 0.62 0.66 -0.57 0.00 0.00 179.45 180.35 1u37 h SER 61 N 0.15 0.94 0.00 0.86 4.64 -1.41 -3.46 113.55 115.27 1u37 h SER 61 Ca 0.15 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1u37 h SER 61 Cb 0.18 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1u37 h SER 61 CO -0.22 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 1u37 n GLY 62 N -1.37 0.52 0.58 -0.77 0.00 -0.68 -4.94 105.19 98.52 1u37 n GLY 62 Ca 0.16 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.80 0.28 -2.32 1.61 4.76 -1.26 -4.99 118.16 113.43 1u37 n LYS 63 Ca 0.00 0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 55.14 1u37 n LYS 63 Cb 0.00 -0.97 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 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 -7.04 4.34 -0.07 -0.35 1.43 -1.26 -5.02 118.68 110.71 1u37 s LEU 64 Ca -0.17 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.01 1u37 s LEU 64 Cb 0.05 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.72 1u37 s LEU 64 CO 0.23 -0.60 -0.09 0.20 0.23 0.00 0.00 176.35 176.33 1u37 s ASN 65 N 1.37 1.68 -0.27 2.29 0.01 -1.26 -4.62 114.94 114.15 1u37 s ASN 65 Ca 0.61 -0.25 -0.24 0.00 -0.71 0.00 0.00 52.86 52.27 1u37 s ASN 65 Cb -0.31 -0.72 -0.10 0.00 0.41 0.00 0.00 41.25 40.53 1u37 s ASN 65 CO 0.27 -0.04 1.05 -0.38 -1.51 0.00 0.00 177.10 176.49 1u37 n ILE 66 N 4.24 0.00 0.00 0.60 5.41 -1.26 -1.32 119.36 127.03 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 0.51 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 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 3.41 1.11 3.66 7.39 0.00 0.21 -4.96 105.19 116.02 1u37 n GLY 67 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 7.10 -1.24 1.61 1.01 -0.43 -4.72 116.67 118.49 1u37 s ASP 68 Ca 0.00 1.45 -0.20 0.00 0.71 0.00 0.00 52.55 54.51 1u37 s ASP 68 Cb 0.00 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.41 1u37 s ASP 68 CO 0.00 -0.65 1.79 -1.58 0.21 0.00 0.00 175.17 174.93 1u37 s GLN 69 N 3.06 3.48 0.44 8.23 -0.44 -0.31 -2.54 119.66 131.59 1u37 s GLN 69 Ca 0.46 -1.66 -0.24 0.00 -2.50 0.00 0.00 55.36 51.42 1u37 s GLN 69 Cb -0.17 -5.43 -0.09 0.00 -1.64 0.00 0.00 33.01 25.68 1u37 s GLN 69 CO 0.09 -2.80 1.19 -0.89 0.50 0.00 0.00 175.29 173.38 1u37 n ILE 70 N 6.89 2.68 -0.06 -2.34 5.41 -1.25 0.53 119.36 131.22 1u37 n ILE 70 Ca 0.47 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.62 1u37 n ILE 70 Cb 0.46 -1.44 -0.05 0.00 -0.71 0.00 0.00 39.64 37.90 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 -0.06 0.30 -3.50 0.38 1.56 -0.56 -4.22 117.12 111.01 1u37 n MET 71 Ca 0.08 0.08 -0.13 0.00 -0.27 0.00 0.00 57.70 57.45 1u37 n MET 71 Cb 0.40 -1.20 -0.04 0.00 2.15 0.00 0.00 33.22 34.53 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 -5.32 -0.51 -0.15 6.12 1.04 -0.97 0.22 113.70 114.13 1u37 s SER 72 Ca -0.17 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.41 1u37 s SER 72 Cb 0.05 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1u37 s SER 72 CO 0.27 -0.83 -0.17 -0.63 0.98 0.00 0.00 173.24 172.87 1u37 s ILE 73 N -2.97 1.76 -0.74 -1.02 1.01 0.68 -1.29 121.20 118.63 1u37 s ILE 73 Ca -0.03 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 1u37 s ILE 73 Cb -0.00 -1.60 0.09 0.00 0.01 0.00 0.00 42.46 40.95 1u37 s ILE 73 CO -0.06 0.49 0.23 -0.46 0.00 0.00 0.00 174.94 175.15 1u37 n ASN 74 N 4.49 -1.40 0.00 3.58 0.23 0.27 0.11 115.26 122.54 1u37 n ASN 74 Ca -0.19 -0.18 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 1u37 n ASN 74 Cb 0.51 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 36.91 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 1.16 2.91 4.83 0.00 -1.25 -4.95 105.19 107.15 1u37 n GLY 75 Ca 0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 2.05 0.18 2.61 2.01 0.30 -5.09 115.64 115.69 1u37 s THR 76 Ca 0.00 -2.54 -0.32 0.00 0.31 0.00 0.00 61.69 59.15 1u37 s THR 76 Cb 0.00 -2.48 -0.10 0.00 0.01 0.00 0.00 72.50 69.93 1u37 s THR 76 CO 0.00 -0.71 1.60 -0.55 -0.69 0.00 0.00 174.62 174.26 1u37 s SER 77 N 0.57 6.54 -0.05 3.53 0.15 -1.26 -0.23 113.70 122.95 1u37 s SER 77 Ca 0.14 2.67 0.17 0.00 0.70 0.00 0.00 55.95 59.63 1u37 s SER 77 Cb -0.22 -2.60 0.57 0.00 -1.71 0.00 0.00 66.02 62.07 1u37 s SER 77 CO -0.07 -0.85 1.47 0.18 1.20 0.00 0.00 173.24 175.17 1u37 n LEU 78 N 3.90 3.67 -4.66 3.45 4.77 0.13 -4.83 117.00 123.44 1u37 n LEU 78 Ca 0.14 -1.85 -0.40 0.00 -0.03 0.00 0.00 56.01 53.87 1u37 n LEU 78 Cb 0.38 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1u37 n LEU 78 CO 0.62 0.75 0.36 -0.69 -1.33 0.00 0.00 177.39 177.10 1u37 s VAL 79 N -1.51 5.03 0.00 4.08 1.01 -1.26 -3.91 120.40 123.84 1u37 s VAL 79 Ca 0.42 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1u37 s VAL 79 Cb 0.24 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1u37 s VAL 79 CO 0.24 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1u37 n GLY 80 N 3.78 3.20 3.76 4.51 0.00 -1.26 -5.04 105.19 114.13 1u37 n GLY 80 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 4.37 0.00 0.99 2.34 -1.25 -5.07 118.68 120.06 1u37 s LEU 81 Ca 0.00 0.95 -0.09 0.00 0.06 0.00 0.00 54.13 55.05 1u37 s LEU 81 Cb 0.00 -2.73 0.14 0.00 -0.56 0.00 0.00 46.19 43.05 1u37 s LEU 81 CO 0.00 0.12 0.32 -2.65 -1.06 0.00 0.00 176.35 173.08 1u37 n PRO 82 N 2.88 -1.49 0.05 1.48 -0.02 -1.26 -4.74 135.00 131.89 1u37 n PRO 82 Ca -0.09 -0.54 -0.16 0.00 -2.02 0.00 0.00 63.50 60.69 1u37 n PRO 82 Cb 0.52 -0.94 -0.07 0.00 -0.02 0.00 0.00 33.50 32.99 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 0.00 0.71 -1.32 2.45 6.46 -1.97 -3.14 115.31 118.50 1u37 h LEU 83 Ca -0.15 -0.55 0.16 0.00 -0.12 0.00 0.00 57.88 57.22 1u37 h LEU 83 Cb 0.49 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 40.13 1u37 h LEU 83 CO 0.09 1.35 0.58 0.28 -0.62 0.00 0.00 178.44 180.12 1u37 h SER 84 N 0.32 0.61 0.05 1.25 0.02 -1.99 0.12 113.55 113.94 1u37 h SER 84 Ca -0.09 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1u37 h SER 84 Cb 1.59 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1u37 h SER 84 CO 0.18 0.29 -0.02 0.74 -1.14 0.00 0.00 176.83 176.87 1u37 h THR 85 N 0.63 1.24 -0.27 -2.27 2.02 -1.88 -2.38 112.91 110.00 1u37 h THR 85 Ca 0.46 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.70 1u37 h THR 85 Cb 0.83 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 69.09 1u37 h THR 85 CO -0.21 0.25 0.05 0.00 0.37 0.00 0.00 175.52 175.97 1u37 h GLN 87 N 0.15 0.18 -0.35 0.00 1.08 -0.83 -0.81 115.11 114.53 1u37 h GLN 87 Ca 0.13 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1u37 h GLN 87 Cb 0.13 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1u37 h GLN 87 CO -0.17 0.12 0.15 1.03 -0.95 0.00 0.00 178.83 179.01 1u37 h SER 88 N 0.18 0.43 -0.26 1.46 0.87 -0.89 -0.04 113.55 115.31 1u37 h SER 88 Ca 0.21 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1u37 h SER 88 Cb 0.28 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1u37 h SER 88 CO -0.30 0.39 0.06 0.40 -0.53 0.00 0.00 176.83 176.85 1u37 h ILE 89 N 0.49 1.21 -0.62 2.23 2.04 0.18 0.40 117.51 123.44 1u37 h ILE 89 Ca 0.12 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1u37 h ILE 89 Cb 0.08 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1u37 h ILE 89 CO -0.01 0.23 0.07 0.40 0.00 0.00 0.00 178.15 178.83 1u37 h ILE 90 N 0.24 1.26 -0.10 -0.67 2.04 -0.88 -2.42 117.51 116.99 1u37 h ILE 90 Ca 0.08 -1.04 -0.11 0.00 1.00 0.00 0.00 64.86 64.79 1u37 h ILE 90 Cb 0.28 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1u37 h ILE 90 CO 0.00 0.38 -0.44 0.11 0.00 0.00 0.00 178.15 178.21 1u37 h LYS 91 N 0.95 0.23 0.00 2.37 1.57 -0.76 -2.56 116.57 118.38 1u37 h LYS 91 Ca 0.19 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1u37 h LYS 91 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1u37 h LYS 91 CO 0.02 0.63 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 1u37 n GLY 92 N -0.13 -1.39 2.04 3.86 0.00 0.14 -3.44 105.19 106.27 1u37 n GLY 92 Ca -0.02 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 6.89 0.12 0.99 4.77 -0.95 -4.38 117.00 122.69 1u37 n LEU 93 Ca 0.05 -3.64 -0.20 0.00 -0.03 0.00 0.00 56.01 52.19 1u37 n LEU 93 Cb 0.30 -1.03 -0.15 0.00 -2.33 0.00 0.00 43.42 40.22 1u37 n LEU 93 CO 0.23 1.31 -0.20 0.50 -1.33 0.00 0.00 177.39 177.90 1u37 h LYS 94 N 1.64 0.40 -2.24 3.23 3.64 -1.74 -3.37 116.57 118.13 1u37 h LYS 94 Ca 0.40 -0.68 -0.59 0.00 -1.27 0.00 0.00 60.65 58.51 1u37 h LYS 94 Cb 0.89 0.25 -0.42 0.00 -0.41 0.00 0.00 32.23 32.55 1u37 h LYS 94 CO 1.05 1.32 -0.64 0.27 -2.27 0.00 0.00 179.45 179.17 1u37 n ASN 95 N -3.61 4.10 -0.02 4.20 0.23 -1.26 0.18 115.26 119.09 1u37 n ASN 95 Ca -0.14 -3.58 -0.02 0.00 -0.53 0.00 0.00 54.58 50.31 1u37 n ASN 95 Cb 1.07 -0.60 -0.02 0.00 -2.08 0.00 0.00 39.78 38.15 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 0.17 0.25 -0.72 -3.83 1.13 -1.26 -4.83 117.38 108.29 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 0.41 -1.07 0.00 0.00 0.11 0.00 0.00 30.24 29.68 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 -3.63 1.08 2.88 -1.26 -4.92 113.62 105.18 1u37 n SER 97 Ca -0.06 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.36 1u37 n SER 97 Cb 0.57 -0.38 -0.07 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.13 0.72 -0.25 -1.46 0.52 -1.19 -1.45 118.95 115.72 1u37 s ARG 98 Ca 0.00 0.88 -0.03 0.00 -0.52 0.00 0.00 55.73 56.06 1u37 s ARG 98 Cb 0.00 0.34 0.08 0.00 0.52 0.00 0.00 34.95 35.90 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 0.40 0.34 -1.18 3.52 1.01 0.58 -4.88 120.40 120.19 1u37 s VAL 99 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1u37 s VAL 99 Cb -0.05 -1.10 0.21 0.00 0.00 0.00 0.00 36.38 35.43 1u37 s VAL 99 CO -0.02 -0.49 1.33 -0.54 0.00 0.00 0.00 175.10 175.38 1u37 s LYS 100 N 1.91 4.14 -0.23 2.72 1.02 -1.24 -1.28 119.74 126.78 1u37 s LYS 100 Ca 0.05 -2.80 -0.05 0.00 0.02 0.00 0.00 55.97 53.19 1u37 s LYS 100 Cb -0.17 -4.90 -0.02 0.00 -0.52 0.00 0.00 37.83 32.23 1u37 s LYS 100 CO -0.21 -1.60 -0.01 -0.48 -0.92 0.00 0.00 175.35 172.14 1u37 s LEU 101 N 0.64 3.07 -0.49 3.17 2.34 0.10 0.94 118.68 128.45 1u37 s LEU 101 Ca 0.39 -0.33 -0.24 0.00 0.06 0.00 0.00 54.13 54.01 1u37 s LEU 101 Cb -0.05 -1.80 0.03 0.00 -0.56 0.00 0.00 46.19 43.81 1u37 s LEU 101 CO -0.02 -0.02 0.90 0.20 -1.06 0.00 0.00 176.35 176.34 1u37 s ASN 102 N 1.52 6.42 0.37 1.48 -0.87 -0.41 -1.14 114.94 122.31 1u37 s ASN 102 Ca 0.06 -0.12 0.07 0.00 -1.57 0.00 0.00 52.86 51.31 1u37 s ASN 102 Cb -0.14 -2.43 -0.00 0.00 -0.02 0.00 0.00 41.25 38.65 1u37 s ASN 102 CO -0.01 -1.08 0.48 0.27 -2.57 0.00 0.00 177.10 174.19 1u37 s ILE 103 N 3.70 3.51 -0.06 0.60 -4.36 -0.62 -1.50 121.20 122.47 1u37 s ILE 103 Ca 0.33 -1.06 0.04 0.00 -0.26 0.00 0.00 60.65 59.70 1u37 s ILE 103 Cb -0.11 -3.20 -0.02 0.00 1.25 0.00 0.00 42.46 40.37 1u37 s ILE 103 CO 0.23 -0.09 -0.18 -0.69 0.24 0.00 0.00 174.94 174.45 1u37 s VAL 104 N -2.28 2.71 -0.27 8.37 1.01 0.19 -1.60 120.40 128.53 1u37 s VAL 104 Ca 0.49 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1u37 s VAL 104 Cb -0.09 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.26 1u37 s VAL 104 CO 0.31 0.57 0.57 -1.14 0.00 0.00 0.00 175.10 175.41