#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 3.30 -0.12 -0.32 0.08 -1.26 -0.63 117.98 119.03 1u37 s PHE 18 Ca 0.00 1.64 -0.05 0.00 0.12 0.00 0.00 56.93 58.64 1u37 s PHE 18 Cb 0.00 -2.94 0.06 0.00 -0.57 0.00 0.00 43.02 39.57 1u37 s PHE 18 CO 0.00 -0.27 0.25 0.15 -0.10 0.00 0.00 175.22 175.25 1u37 s LYS 19 N -2.92 0.15 -1.32 0.44 1.02 -0.42 -4.97 119.74 111.72 1u37 s LYS 19 Ca 0.61 0.71 -0.17 0.00 0.02 0.00 0.00 55.97 57.13 1u37 s LYS 19 Cb -0.14 -0.06 0.05 0.00 -0.52 0.00 0.00 37.83 37.16 1u37 s LYS 19 CO 0.18 -0.27 1.88 -0.25 -0.92 0.00 0.00 175.35 175.97 1u37 n ASP 20 N 5.18 4.52 -4.67 2.83 8.00 -1.26 -1.70 116.55 129.45 1u37 n ASP 20 Ca -0.09 -2.88 -0.42 0.00 0.71 0.00 0.00 54.79 52.11 1u37 n ASP 20 Cb 0.50 -1.71 -0.03 0.00 -0.02 0.00 0.00 41.12 39.86 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 4.37 3.63 -0.35 2.53 1.01 -0.38 -4.89 120.40 126.32 1u37 s VAL 21 Ca 0.53 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 1u37 s VAL 21 Cb 0.06 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.99 1u37 s VAL 21 CO 0.04 -0.06 0.09 0.12 0.00 0.00 0.00 175.10 175.30 1u37 s PHE 22 N 3.62 3.51 -0.49 5.22 2.19 -1.22 -0.85 117.98 129.95 1u37 s PHE 22 Ca 0.70 -2.35 -0.16 0.00 0.33 0.00 0.00 56.93 55.45 1u37 s PHE 22 Cb -0.32 -2.75 0.09 0.00 -1.31 0.00 0.00 43.02 38.72 1u37 s PHE 22 CO 0.28 -0.91 0.43 0.42 1.83 0.00 0.00 175.22 177.26 1u37 s ILE 23 N 1.13 5.23 -0.31 3.12 -1.09 -0.25 -4.73 121.20 124.30 1u37 s ILE 23 Ca 0.04 -1.19 -0.15 0.00 -2.23 0.00 0.00 60.65 57.11 1u37 s ILE 23 Cb -0.21 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.46 1u37 s ILE 23 CO -0.04 -0.66 0.39 -0.70 -1.23 0.00 0.00 174.94 172.70 1u37 s GLU 24 N 1.63 3.78 0.08 2.79 2.12 -1.26 0.06 118.70 127.91 1u37 s GLU 24 Ca 0.04 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.22 1u37 s GLU 24 Cb -0.26 -3.74 -0.00 0.00 0.26 0.00 0.00 34.13 30.39 1u37 s GLU 24 CO 0.06 -0.43 0.04 0.36 -0.54 0.00 0.00 175.26 174.75 1u37 n LYS 25 N 5.42 0.53 -3.85 4.30 2.85 -0.69 -4.90 118.16 121.81 1u37 n LYS 25 Ca -0.08 -0.75 -0.36 0.00 -1.05 0.00 0.00 58.31 56.07 1u37 n LYS 25 Cb 0.50 0.49 -0.07 0.00 -0.65 0.00 0.00 35.03 35.30 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 -2.32 3.67 -0.16 -1.58 1.11 -1.26 -4.13 119.66 114.98 1u37 s GLN 26 Ca 0.06 -0.17 -0.39 0.00 0.01 0.00 0.00 55.36 54.87 1u37 s GLN 26 Cb 0.00 -3.25 -0.16 0.00 -1.01 0.00 0.00 33.01 28.59 1u37 s GLN 26 CO 0.04 0.62 1.59 1.63 0.01 0.00 0.00 175.29 179.18 1u37 n LYS 27 N 2.50 1.07 0.00 2.91 5.02 -1.26 -1.45 118.16 126.96 1u37 n LYS 27 Ca -0.19 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1u37 n LYS 27 Cb 0.54 -2.05 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 3.58 1.15 3.09 0.72 0.00 0.31 -4.93 105.19 109.12 1u37 n GLY 28 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.55 1.72 0.43 1.61 0.41 0.59 -4.90 118.70 118.01 1u37 s GLU 29 Ca 0.00 -0.53 -0.12 0.00 -0.41 0.00 0.00 54.97 53.90 1u37 s GLU 29 Cb 0.00 -1.47 -0.07 0.00 -1.78 0.00 0.00 34.13 30.81 1u37 s GLU 29 CO 0.00 0.17 0.83 0.96 -0.49 0.00 0.00 175.26 176.73 1u37 s ILE 30 N 0.23 4.71 0.18 -1.63 -4.36 -1.26 -4.12 121.20 114.95 1u37 s ILE 30 Ca -0.07 0.81 -0.18 0.00 -0.26 0.00 0.00 60.65 60.94 1u37 s ILE 30 Cb -0.13 -3.72 0.14 0.00 1.25 0.00 0.00 42.46 40.00 1u37 s ILE 30 CO 0.03 -0.55 1.62 0.25 0.24 0.00 0.00 174.94 176.53 1u37 h LEU 31 N 1.23 -0.81 0.00 0.37 6.46 -1.76 -3.40 115.31 117.40 1u37 h LEU 31 Ca -0.47 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1u37 h LEU 31 Cb 1.19 0.44 0.00 0.00 -0.73 0.00 0.00 40.66 41.55 1u37 h LEU 31 CO 0.63 -0.25 0.00 0.61 -0.62 0.00 0.00 178.44 178.81 1u37 n GLY 32 N -1.41 0.65 3.70 3.75 0.00 -1.26 -1.10 105.19 109.52 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 5.25 -0.59 1.61 -7.23 -1.26 0.10 120.40 116.28 1u37 s VAL 33 Ca 0.00 0.68 -0.15 0.00 -1.81 0.00 0.00 61.98 60.70 1u37 s VAL 33 Cb 0.00 -3.70 0.14 0.00 0.56 0.00 0.00 36.38 33.38 1u37 s VAL 33 CO 0.00 0.32 0.54 -0.69 -0.31 0.00 0.00 175.10 174.96 1u37 s VAL 34 N 0.82 5.23 0.28 1.32 1.01 -0.28 -4.94 120.40 123.85 1u37 s VAL 34 Ca 0.19 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.51 1u37 s VAL 34 Cb -0.14 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1u37 s VAL 34 CO 0.07 -0.89 0.45 0.27 0.00 0.00 0.00 175.10 174.99 1u37 s ILE 35 N 1.34 5.18 0.04 2.22 -5.25 -1.25 0.49 121.20 123.97 1u37 s ILE 35 Ca 0.06 -0.63 -0.01 0.00 -0.99 0.00 0.00 60.65 59.07 1u37 s ILE 35 Cb -0.26 -3.83 -0.03 0.00 2.95 0.00 0.00 42.46 41.28 1u37 s ILE 35 CO 0.01 -0.39 -0.02 0.68 -1.79 0.00 0.00 174.94 173.43 1u37 s VAL 36 N -2.10 0.19 0.03 8.37 -7.23 0.71 -4.78 120.40 115.60 1u37 s VAL 36 Ca 0.37 -1.58 -0.31 0.00 -1.81 0.00 0.00 61.98 58.65 1u37 s VAL 36 Cb -0.10 -1.24 -0.10 0.00 0.56 0.00 0.00 36.38 35.50 1u37 s VAL 36 CO 0.32 -0.87 1.93 1.21 -0.31 0.00 0.00 175.10 177.37 1u37 n GLU 37 N 0.43 2.71 -1.69 4.82 2.13 -1.26 0.13 120.64 127.90 1u37 n GLU 37 Ca -0.16 0.99 -0.38 0.00 0.66 0.00 0.00 57.16 58.27 1u37 n GLU 37 Cb 0.60 -2.91 0.06 0.00 0.27 0.00 0.00 31.44 29.45 1u37 n GLU 37 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1u37 n SER 38 N 6.94 1.67 -0.01 4.31 3.41 -1.26 -4.83 113.62 123.85 1u37 n SER 38 Ca 0.20 0.85 0.01 0.00 -0.26 0.00 0.00 58.87 59.66 1u37 n SER 38 Cb 0.38 -1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 62.81 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 1.04 -0.14 2.61 5.00 0.00 -1.26 -4.83 105.19 107.61 1u37 n GLY 39 Ca 0.14 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.76 -3.68 -2.10 1.61 2.14 -1.26 -5.02 117.44 107.36 1u37 n TRP 40 Ca -0.02 -0.74 0.03 0.00 2.07 0.00 0.00 57.50 58.84 1u37 n TRP 40 Cb 0.24 -0.84 0.04 0.00 -0.81 0.00 0.00 31.31 29.94 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 -2.83 1.61 0.13 -1.67 0.00 -1.26 -4.81 105.19 96.36 1u37 n GLY 41 Ca 0.11 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.56 0.00 -5.50 1.61 0.87 -2.04 -3.47 113.55 105.58 1u37 h SER 42 Ca -0.10 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.19 1u37 h SER 42 Cb 1.55 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.44 1u37 h SER 42 CO 0.05 0.63 -0.16 -0.63 -0.53 0.00 0.00 176.83 176.19 1u37 s ILE 43 N -3.21 0.00 -0.03 2.23 1.09 -1.26 -5.11 121.20 114.91 1u37 s ILE 43 Ca 0.01 -1.56 -0.30 0.00 -1.10 0.00 0.00 60.65 57.70 1u37 s ILE 43 Cb 0.10 -2.67 -0.08 0.00 -1.06 0.00 0.00 42.46 38.76 1u37 s ILE 43 CO 0.75 0.00 1.99 -1.48 -0.10 0.00 0.00 174.94 176.10 1u37 s LEU 44 N -3.23 4.22 0.31 2.97 2.34 -1.26 -4.93 118.68 119.09 1u37 s LEU 44 Ca 0.30 2.46 -0.29 0.00 0.06 0.00 0.00 54.13 56.66 1u37 s LEU 44 Cb -0.01 -3.53 -0.10 0.00 -0.56 0.00 0.00 46.19 41.99 1u37 s LEU 44 CO 0.20 -1.24 1.39 -2.16 -1.06 0.00 0.00 176.35 173.48 1u37 s PRO 45 N 4.82 4.27 0.11 1.48 0.04 -1.26 -4.85 135.00 139.62 1u37 s PRO 45 Ca 0.90 2.32 0.00 0.00 0.04 0.00 0.00 61.00 64.26 1u37 s PRO 45 Cb -0.40 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1u37 s PRO 45 CO 0.39 -0.34 0.00 -2.37 0.04 0.00 0.00 177.00 174.73 1u37 n THR 46 N 1.23 0.00 -3.54 1.26 5.66 -1.26 -4.11 114.28 113.52 1u37 n THR 46 Ca 0.02 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.85 1u37 n THR 46 Cb 0.41 -0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 69.10 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 -1.25 0.00 -0.16 1.08 -7.23 -1.25 -4.30 120.40 107.30 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 0.03 0.00 0.56 0.00 0.00 36.38 35.97 1u37 s VAL 47 CO 0.00 0.00 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.05 1u37 s ILE 48 N -0.89 1.45 -0.56 -0.62 1.01 0.34 -2.52 121.20 119.40 1u37 s ILE 48 Ca -0.09 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 1u37 s ILE 48 Cb -0.01 -1.46 -0.28 0.00 0.01 0.00 0.00 42.46 40.72 1u37 s ILE 48 CO 0.08 0.31 1.84 -0.38 0.00 0.00 0.00 174.94 176.79 1u37 n ILE 49 N 4.78 0.34 0.19 2.92 5.41 -1.10 -0.21 119.36 131.70 1u37 n ILE 49 Ca -0.15 -0.33 0.15 0.00 1.00 0.00 0.00 62.75 63.42 1u37 n ILE 49 Cb 0.49 -2.05 0.75 0.00 -0.71 0.00 0.00 39.64 38.12 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 10.36 1.98 -2.91 -1.39 0.00 -0.28 0.44 119.26 127.47 1u37 h ALA 50 Ca 0.18 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 1u37 h ALA 50 Cb 0.82 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1u37 h ALA 50 CO 1.60 -0.25 -0.20 -0.80 0.00 0.00 0.00 179.25 179.61 1u37 s ASN 51 N -6.32 0.81 -0.29 0.00 0.02 -0.21 -4.76 114.94 104.19 1u37 s ASN 51 Ca -0.05 -1.44 -0.16 0.00 -1.02 0.00 0.00 52.86 50.19 1u37 s ASN 51 Cb 0.17 0.65 0.16 0.00 0.02 0.00 0.00 41.25 42.25 1u37 s ASN 51 CO 0.62 -1.27 1.04 -0.32 0.02 0.00 0.00 177.10 177.20 1u37 s MET 52 N -3.17 0.29 0.27 -0.60 1.75 -1.26 -1.12 119.30 115.46 1u37 s MET 52 Ca 0.30 0.53 -0.30 0.00 -1.25 0.00 0.00 55.69 54.97 1u37 s MET 52 Cb -0.00 0.09 -0.13 0.00 2.84 0.00 0.00 34.83 37.63 1u37 s MET 52 CO 0.19 -0.07 1.29 -0.12 -0.65 0.00 0.00 175.02 175.66 1u37 n MET 53 N 3.70 1.86 -2.44 4.11 1.56 0.11 -4.86 117.12 121.17 1u37 n MET 53 Ca -0.17 0.66 -0.39 0.00 -0.27 0.00 0.00 57.70 57.53 1u37 n MET 53 Cb 0.57 -2.23 -0.03 0.00 2.15 0.00 0.00 33.22 33.67 1u37 n MET 53 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 1u37 s HIS 54 N -0.50 2.28 0.00 1.12 2.46 -1.26 -2.98 115.29 116.40 1u37 s HIS 54 Ca 0.64 -0.26 0.00 0.00 0.47 0.00 0.00 55.06 55.90 1u37 s HIS 54 Cb -0.66 -4.53 0.00 0.00 -0.13 0.00 0.00 32.58 27.26 1u37 s HIS 54 CO 0.55 -1.98 0.00 0.41 -2.47 0.00 0.00 174.74 171.25 1u37 n GLY 55 N 6.36 2.24 3.24 1.59 0.00 -1.26 -5.09 105.19 112.27 1u37 n GLY 55 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.96 -3.78 0.23 -0.02 0.00 -1.16 -4.18 105.19 95.32 1u37 n GLY 56 Ca 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.58 -0.01 -0.16 1.61 0.11 -1.73 0.86 132.00 129.10 1u37 h PRO 57 Ca -0.42 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.71 1u37 h PRO 57 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 1u37 h PRO 57 CO 0.26 -0.01 0.03 0.00 -0.21 0.00 0.00 178.00 178.07 1u37 h ALA 58 N 1.52 0.16 0.00 -0.75 0.00 -1.43 -1.40 119.26 117.36 1u37 h ALA 58 Ca 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1u37 h ALA 58 Cb 0.42 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1u37 h ALA 58 CO -0.58 -0.41 -0.14 1.49 0.00 0.00 0.00 179.25 179.61 1u37 h GLU 59 N 0.10 0.00 -0.10 0.00 4.81 -1.54 -3.12 114.58 114.72 1u37 h GLU 59 Ca 0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1u37 h GLU 59 Cb 0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1u37 h GLU 59 CO -0.10 0.14 0.00 0.87 -0.73 0.00 0.00 179.01 179.19 1u37 h LYS 60 N 0.00 0.18 -0.79 1.92 1.57 0.18 -3.06 116.57 116.56 1u37 h LYS 60 Ca -0.00 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1u37 h LYS 60 Cb 0.69 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 1u37 h LYS 60 CO 0.02 0.42 0.42 0.66 -0.57 0.00 0.00 179.45 180.39 1u37 h SER 61 N -0.09 0.55 0.00 0.86 4.64 -1.28 -3.46 113.55 114.78 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 0.34 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 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 -1.31 1.35 0.06 -0.77 0.00 -1.16 -4.91 105.19 98.44 1u37 n GLY 62 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 3.14 0.00 -6.54 1.61 6.56 -1.88 -3.45 116.57 116.00 1u37 h LYS 63 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 1u37 h LYS 63 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.68 1u37 h LYS 63 CO 0.00 0.13 0.75 -0.51 -2.06 0.00 0.00 179.45 177.76 1u37 s LEU 64 N -8.45 4.37 -0.02 2.94 1.43 -1.26 -5.02 118.68 112.66 1u37 s LEU 64 Ca -0.05 2.34 0.02 0.00 -1.03 0.00 0.00 54.13 55.41 1u37 s LEU 64 Cb 0.00 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.64 1u37 s LEU 64 CO 0.12 -0.68 -0.06 0.20 0.23 0.00 0.00 176.35 176.16 1u37 s ASN 65 N 1.19 0.91 -0.44 2.29 0.01 -1.26 -4.68 114.94 112.96 1u37 s ASN 65 Ca 0.65 -0.13 -0.35 0.00 -0.71 0.00 0.00 52.86 52.32 1u37 s ASN 65 Cb -0.37 -0.27 -0.16 0.00 0.41 0.00 0.00 41.25 40.86 1u37 s ASN 65 CO 0.30 0.02 1.79 -0.38 -1.51 0.00 0.00 177.10 177.32 1u37 n ILE 66 N 3.44 0.00 0.00 0.60 5.41 -1.26 -0.38 119.36 127.17 1u37 n ILE 66 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1u37 n ILE 66 Cb 0.54 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.06 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 6.08 0.95 3.65 7.39 0.00 0.15 -4.96 105.19 118.46 1u37 n GLY 67 Ca 0.46 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.44 6.88 -1.12 1.61 1.01 0.49 -4.71 116.67 120.39 1u37 s ASP 68 Ca 0.00 1.59 -0.22 0.00 0.71 0.00 0.00 52.55 54.63 1u37 s ASP 68 Cb 0.00 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1u37 s ASP 68 CO 0.00 -0.83 1.79 -1.58 0.21 0.00 0.00 175.17 174.76 1u37 s GLN 69 N 3.66 3.10 0.47 8.23 0.74 -0.11 -2.73 119.66 133.02 1u37 s GLN 69 Ca 0.55 -1.16 -0.24 0.00 0.05 0.00 0.00 55.36 54.56 1u37 s GLN 69 Cb -0.21 -5.30 -0.07 0.00 1.10 0.00 0.00 33.01 28.53 1u37 s GLN 69 CO 0.16 -3.06 1.36 0.42 -0.55 0.00 0.00 175.29 173.63 1u37 s ILE 70 N 7.89 2.27 -0.13 -2.34 1.01 -1.05 0.56 121.20 129.41 1u37 s ILE 70 Ca 0.61 0.23 -0.00 0.00 0.00 0.00 0.00 60.65 61.48 1u37 s ILE 70 Cb -0.01 -3.13 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 1u37 s ILE 70 CO 0.04 0.02 -0.13 0.23 0.00 0.00 0.00 174.94 175.10 1u37 n MET 71 N -0.39 0.32 -3.50 2.79 2.81 -0.63 -3.78 117.12 114.73 1u37 n MET 71 Ca 0.06 0.08 -0.13 0.00 -1.81 0.00 0.00 57.70 55.91 1u37 n MET 71 Cb 0.44 -1.21 -0.04 0.00 -0.71 0.00 0.00 33.22 31.70 1u37 n MET 71 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1u37 s SER 72 N -5.43 -0.49 -0.20 7.83 0.01 -1.08 0.59 113.70 114.93 1u37 s SER 72 Ca -0.18 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1u37 s SER 72 Cb 0.05 0.55 0.02 0.00 0.21 0.00 0.00 66.02 66.85 1u37 s SER 72 CO 0.29 -0.85 -0.17 -0.63 0.41 0.00 0.00 173.24 172.29 1u37 s ILE 73 N -3.19 2.22 -0.44 1.44 1.01 0.12 -1.38 121.20 120.98 1u37 s ILE 73 Ca -0.01 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 1u37 s ILE 73 Cb -0.00 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.49 1u37 s ILE 73 CO -0.08 0.43 0.09 -0.46 0.00 0.00 0.00 174.94 174.93 1u37 n ASN 74 N 4.61 -1.70 0.00 3.58 0.23 0.28 0.99 115.26 123.25 1u37 n ASN 74 Ca -0.20 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1u37 n ASN 74 Cb 0.49 -1.54 0.00 0.00 -2.08 0.00 0.00 39.78 36.64 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 -0.65 1.14 3.13 4.83 0.00 -1.25 -4.93 105.19 107.46 1u37 n GLY 75 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 3.66 0.13 2.61 2.01 0.28 -5.07 115.64 117.26 1u37 s THR 76 Ca 0.00 -2.42 -0.32 0.00 0.31 0.00 0.00 61.69 59.25 1u37 s THR 76 Cb 0.00 -3.43 -0.12 0.00 0.01 0.00 0.00 72.50 68.96 1u37 s THR 76 CO 0.00 -0.79 1.76 -1.54 -0.69 0.00 0.00 174.62 173.36 1u37 n SER 77 N 4.14 3.79 -1.04 3.53 3.41 -1.26 -0.70 113.62 125.48 1u37 n SER 77 Ca 0.02 1.02 0.11 0.00 -0.26 0.00 0.00 58.87 59.76 1u37 n SER 77 Cb 0.40 -1.51 0.25 0.00 -0.26 0.00 0.00 64.21 63.09 1u37 n SER 77 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u37 n LEU 78 N 4.89 3.11 -4.72 1.04 4.77 0.20 -4.83 117.00 121.47 1u37 n LEU 78 Ca 0.18 -1.36 -0.39 0.00 -0.03 0.00 0.00 56.01 54.41 1u37 n LEU 78 Cb 0.34 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1u37 n LEU 78 CO 0.66 0.68 0.31 -0.69 -1.33 0.00 0.00 177.39 177.02 1u37 s VAL 79 N -1.52 5.10 0.00 4.08 1.01 -1.25 -3.87 120.40 123.96 1u37 s VAL 79 Ca 0.38 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1u37 s VAL 79 Cb 0.22 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1u37 s VAL 79 CO 0.30 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1u37 n GLY 80 N 3.21 3.26 3.87 4.51 0.00 -1.26 -5.04 105.19 113.73 1u37 n GLY 80 Ca -0.03 0.00 -0.35 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 4.37 1.23 0.99 2.34 -1.25 -5.09 118.68 121.27 1u37 s LEU 81 Ca 0.00 0.74 -0.18 0.00 0.06 0.00 0.00 54.13 54.75 1u37 s LEU 81 Cb 0.00 -2.81 0.29 0.00 -0.56 0.00 0.00 46.19 43.11 1u37 s LEU 81 CO 0.00 0.22 1.04 -2.16 -1.06 0.00 0.00 176.35 174.40 1u37 s PRO 82 N -1.73 -1.40 0.32 1.48 0.04 -1.26 -4.84 135.00 127.61 1u37 s PRO 82 Ca 0.30 0.21 0.06 0.00 0.04 0.00 0.00 61.00 61.61 1u37 s PRO 82 Cb -0.14 -1.55 0.55 0.00 0.04 0.00 0.00 34.50 33.40 1u37 s PRO 82 CO 0.16 -3.89 1.79 1.25 0.04 0.00 0.00 177.00 176.35 1u37 h LEU 83 N -2.72 0.34 -0.44 -3.56 5.85 -1.97 -2.92 115.31 109.89 1u37 h LEU 83 Ca -0.49 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.20 1u37 h LEU 83 Cb 1.32 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 1u37 h LEU 83 CO 0.39 0.59 0.07 -1.28 -0.34 0.00 0.00 178.44 177.86 1u37 h SER 84 N 0.32 -0.04 -0.18 1.25 0.87 -1.99 0.20 113.55 113.98 1u37 h SER 84 Ca 0.05 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1u37 h SER 84 Cb 0.58 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1u37 h SER 84 CO 0.04 0.01 0.04 0.74 -0.53 0.00 0.00 176.83 177.14 1u37 h THR 85 N 0.19 1.20 -0.02 2.23 2.02 -1.88 -1.99 112.91 114.66 1u37 h THR 85 Ca 0.22 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.77 1u37 h THR 85 Cb 0.29 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1u37 h THR 85 CO -0.31 0.20 -0.11 0.00 0.37 0.00 0.00 175.52 175.67 1u37 h GLN 87 N -0.18 0.85 -0.24 0.00 1.08 -0.59 -0.49 115.11 115.54 1u37 h GLN 87 Ca 0.05 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 1u37 h GLN 87 Cb 0.24 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1u37 h GLN 87 CO -0.13 0.56 -0.33 0.77 -0.95 0.00 0.00 178.83 178.75 1u37 h SER 88 N 0.88 0.52 -0.27 1.46 0.02 -0.54 -2.04 113.55 113.56 1u37 h SER 88 Ca 0.38 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1u37 h SER 88 Cb 0.33 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1u37 h SER 88 CO -0.15 0.82 0.08 0.40 -1.14 0.00 0.00 176.83 176.84 1u37 h ILE 89 N 0.43 1.20 -0.67 3.27 2.04 0.68 0.38 117.51 124.84 1u37 h ILE 89 Ca 0.05 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1u37 h ILE 89 Cb 0.78 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1u37 h ILE 89 CO 0.06 0.21 0.32 0.40 0.00 0.00 0.00 178.15 179.14 1u37 h ILE 90 N 0.28 1.22 -0.10 -0.67 2.04 -1.23 -1.55 117.51 117.50 1u37 h ILE 90 Ca 0.09 -0.62 -0.16 0.00 1.00 0.00 0.00 64.86 65.16 1u37 h ILE 90 Cb 0.24 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1u37 h ILE 90 CO -0.00 0.26 -0.64 0.11 0.00 0.00 0.00 178.15 177.87 1u37 h LYS 91 N 0.95 0.37 0.00 2.37 6.56 -1.02 -2.76 116.57 123.03 1u37 h LYS 91 Ca 0.23 -0.27 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1u37 h LYS 91 Cb 0.11 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1u37 h LYS 91 CO -0.03 0.89 0.00 0.41 -2.06 0.00 0.00 179.45 178.66 1u37 n GLY 92 N 0.38 -1.25 1.93 3.86 0.00 0.13 -2.87 105.19 107.36 1u37 n GLY 92 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.90 6.08 0.08 0.99 4.77 -0.66 -4.32 117.00 122.04 1u37 n LEU 93 Ca 0.04 -3.22 -0.07 0.00 -0.03 0.00 0.00 56.01 52.73 1u37 n LEU 93 Cb 0.24 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.43 1u37 n LEU 93 CO 0.20 1.04 0.20 0.50 -1.33 0.00 0.00 177.39 178.00 1u37 h LYS 94 N 1.05 0.03 -2.18 3.23 3.64 -1.68 -3.38 116.57 117.28 1u37 h LYS 94 Ca 0.43 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 59.19 1u37 h LYS 94 Cb 1.77 0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 33.19 1u37 h LYS 94 CO 0.88 0.94 -0.73 0.09 -2.27 0.00 0.00 179.45 178.36 1u37 n ASN 95 N -3.46 3.29 0.00 4.20 3.02 -1.26 0.22 115.26 121.26 1u37 n ASN 95 Ca -0.01 -3.40 0.00 0.00 -0.03 0.00 0.00 54.58 51.15 1u37 n ASN 95 Cb 0.88 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.47 0.25 -0.90 3.52 1.13 -1.26 -4.84 117.38 115.75 1u37 n GLN 96 Ca 0.29 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1u37 n GLN 96 Cb 0.44 -0.95 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 0.43 -1.44 0.00 0.00 177.06 176.05 1u37 n SER 97 N -2.36 -0.71 -3.61 1.08 7.64 -1.26 -4.92 113.62 109.48 1u37 n SER 97 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1u37 n SER 97 Cb 0.45 -0.72 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.29 0.68 -0.25 1.43 0.52 -1.20 -1.71 118.95 118.13 1u37 s ARG 98 Ca 0.00 0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 55.78 1u37 s ARG 98 Cb 0.00 0.33 0.09 0.00 0.52 0.00 0.00 34.95 35.88 1u37 s ARG 98 CO 0.00 -0.12 0.10 0.08 0.02 0.00 0.00 175.30 175.38 1u37 s VAL 99 N -0.10 0.20 -1.21 3.52 1.01 0.11 -4.87 120.40 119.05 1u37 s VAL 99 Ca -0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 1u37 s VAL 99 Cb -0.04 -1.03 0.20 0.00 0.00 0.00 0.00 36.38 35.51 1u37 s VAL 99 CO -0.01 -0.55 1.61 0.29 0.00 0.00 0.00 175.10 176.45 1u37 n LYS 100 N 5.15 3.70 -3.82 2.72 5.02 -1.24 -1.09 118.16 128.60 1u37 n LYS 100 Ca -0.06 -3.89 -0.36 0.00 -2.02 0.00 0.00 58.31 51.98 1u37 n LYS 100 Cb 0.44 -2.85 -0.12 0.00 -0.02 0.00 0.00 35.03 32.49 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 -0.26 3.63 -0.45 -0.35 2.34 -0.03 0.98 118.68 124.54 1u37 s LEU 101 Ca 0.38 -0.10 -0.22 0.00 0.06 0.00 0.00 54.13 54.25 1u37 s LEU 101 Cb 0.03 -1.96 0.03 0.00 -0.56 0.00 0.00 46.19 43.73 1u37 s LEU 101 CO 0.01 0.02 0.73 0.20 -1.06 0.00 0.00 176.35 176.26 1u37 s ASN 102 N 1.27 6.37 0.47 1.48 0.02 -0.48 -1.24 114.94 122.83 1u37 s ASN 102 Ca 0.05 -0.24 0.08 0.00 -1.02 0.00 0.00 52.86 51.73 1u37 s ASN 102 Cb -0.15 -2.36 0.02 0.00 0.02 0.00 0.00 41.25 38.79 1u37 s ASN 102 CO 0.04 -0.87 0.55 0.27 0.02 0.00 0.00 177.10 177.10 1u37 s ILE 103 N 3.11 2.50 0.04 0.60 -4.36 -0.69 -1.61 121.20 120.80 1u37 s ILE 103 Ca 0.27 -1.17 0.03 0.00 -0.26 0.00 0.00 60.65 59.52 1u37 s ILE 103 Cb -0.13 -2.67 -0.02 0.00 1.25 0.00 0.00 42.46 40.88 1u37 s ILE 103 CO 0.21 0.00 -0.10 -0.69 0.24 0.00 0.00 174.94 174.60 1u37 s VAL 104 N -2.52 0.74 0.00 8.37 1.01 0.19 -1.30 120.40 126.88 1u37 s VAL 104 Ca 0.52 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1u37 s VAL 104 Cb -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1u37 s VAL 104 CO 0.31 -0.25 0.39 0.54 0.00 0.00 0.00 175.10 176.09