#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 2.70 -0.23 4.31 0.08 -1.26 -1.50 117.98 122.07 1u37 s PHE 18 Ca 0.00 1.52 -0.26 0.00 0.12 0.00 0.00 56.93 58.31 1u37 s PHE 18 Cb 0.00 -3.40 0.08 0.00 -0.57 0.00 0.00 43.02 39.12 1u37 s PHE 18 CO 0.00 -1.74 0.75 -1.59 -0.10 0.00 0.00 175.22 172.54 1u37 s LYS 19 N -2.98 0.84 -1.28 0.44 0.00 -0.57 -4.96 119.74 111.23 1u37 s LYS 19 Ca 0.69 0.83 -0.11 0.00 0.00 0.00 0.00 55.97 57.38 1u37 s LYS 19 Cb -0.28 0.41 0.15 0.00 0.00 0.00 0.00 37.83 38.11 1u37 s LYS 19 CO 0.33 -0.13 1.80 -0.25 0.00 0.00 0.00 175.35 177.09 1u37 n ASP 20 N 2.32 5.02 -4.68 0.03 8.00 -1.26 -1.88 116.55 124.09 1u37 n ASP 20 Ca -0.15 -3.05 -0.44 0.00 0.71 0.00 0.00 54.79 51.87 1u37 n ASP 20 Cb 0.55 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.10 1u37 n ASP 20 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1u37 n VAL 21 N 3.87 0.40 -3.83 2.53 0.31 -0.30 -4.80 118.33 116.51 1u37 n VAL 21 Ca 0.40 -0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 64.31 1u37 n VAL 21 Cb 0.38 -2.05 -0.12 0.00 -0.91 0.00 0.00 33.84 31.14 1u37 n VAL 21 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1u37 s PHE 22 N 2.89 3.50 -0.52 3.52 2.19 -1.22 -0.79 117.98 127.56 1u37 s PHE 22 Ca 0.84 -2.27 -0.17 0.00 0.33 0.00 0.00 56.93 55.67 1u37 s PHE 22 Cb -0.53 -2.84 0.09 0.00 -1.31 0.00 0.00 43.02 38.43 1u37 s PHE 22 CO 0.40 -0.91 0.51 0.42 1.83 0.00 0.00 175.22 177.47 1u37 s ILE 23 N 1.16 5.11 -0.31 3.12 -1.09 0.05 -4.72 121.20 124.52 1u37 s ILE 23 Ca 0.04 -1.09 -0.13 0.00 -2.23 0.00 0.00 60.65 57.24 1u37 s ILE 23 Cb -0.21 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.36 1u37 s ILE 23 CO -0.03 -0.78 0.26 -1.61 -1.23 0.00 0.00 174.94 171.55 1u37 s GLU 24 N 1.94 3.72 0.00 2.79 2.02 -1.26 0.29 118.70 128.20 1u37 s GLU 24 Ca 0.07 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1u37 s GLU 24 Cb -0.25 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.24 1u37 s GLU 24 CO 0.06 -0.36 0.00 0.36 0.02 0.00 0.00 175.26 175.35 1u37 n LYS 25 N 5.17 0.39 -3.85 1.61 2.85 -0.61 -4.91 118.16 118.82 1u37 n LYS 25 Ca -0.12 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.85 1u37 n LYS 25 Cb 0.50 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.85 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 -1.50 3.48 0.26 -1.58 1.11 -1.26 -4.13 119.66 116.03 1u37 s GLN 26 Ca 0.00 -0.42 -0.31 0.00 0.01 0.00 0.00 55.36 54.64 1u37 s GLN 26 Cb 0.00 -2.96 -0.12 0.00 -1.01 0.00 0.00 33.01 28.93 1u37 s GLN 26 CO 0.00 0.53 1.64 1.63 0.01 0.00 0.00 175.29 179.10 1u37 n LYS 27 N -0.14 2.70 -0.33 2.91 5.02 -1.26 -2.07 118.16 124.99 1u37 n LYS 27 Ca -0.05 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 1u37 n LYS 27 Cb 0.52 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 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 2.90 0.82 3.21 0.72 0.00 0.11 -4.92 105.19 108.04 1u37 n GLY 28 Ca 0.12 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.67 2.11 0.47 1.61 0.41 0.31 -4.92 118.70 118.01 1u37 s GLU 29 Ca 0.00 -0.77 -0.03 0.00 -0.41 0.00 0.00 54.97 53.75 1u37 s GLU 29 Cb 0.00 -1.85 -0.02 0.00 -1.78 0.00 0.00 34.13 30.48 1u37 s GLU 29 CO 0.00 0.35 0.74 0.96 -0.49 0.00 0.00 175.26 176.82 1u37 s ILE 30 N -0.16 4.64 0.15 -1.63 -4.36 -1.26 -4.33 121.20 114.26 1u37 s ILE 30 Ca -0.01 -0.06 -0.21 0.00 -0.26 0.00 0.00 60.65 60.11 1u37 s ILE 30 Cb -0.12 -3.75 0.04 0.00 1.25 0.00 0.00 42.46 39.88 1u37 s ILE 30 CO 0.02 -0.67 1.64 -0.07 0.24 0.00 0.00 174.94 176.11 1u37 h LEU 31 N 0.29 -0.63 0.00 0.37 4.07 -1.85 -3.39 115.31 114.17 1u37 h LEU 31 Ca -0.47 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1u37 h LEU 31 Cb 1.22 0.32 0.00 0.00 1.08 0.00 0.00 40.66 43.28 1u37 h LEU 31 CO 0.61 -0.23 0.00 0.61 -1.08 0.00 0.00 178.44 178.35 1u37 n GLY 32 N -1.35 0.85 3.69 0.83 0.00 -1.26 0.34 105.19 108.30 1u37 n GLY 32 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.05 5.25 -0.60 1.61 -7.23 -1.26 0.55 120.40 116.66 1u37 s VAL 33 Ca 0.00 0.63 -0.19 0.00 -1.81 0.00 0.00 61.98 60.60 1u37 s VAL 33 Cb 0.00 -3.68 0.10 0.00 0.56 0.00 0.00 36.38 33.36 1u37 s VAL 33 CO 0.00 0.31 0.73 -0.69 -0.31 0.00 0.00 175.10 175.15 1u37 s VAL 34 N 0.93 4.76 0.02 1.32 1.01 -0.95 -4.94 120.40 122.55 1u37 s VAL 34 Ca 0.18 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1u37 s VAL 34 Cb -0.14 -4.51 -0.06 0.00 0.00 0.00 0.00 36.38 31.67 1u37 s VAL 34 CO 0.06 -1.16 0.53 0.27 0.00 0.00 0.00 175.10 174.80 1u37 s ILE 35 N 2.84 4.89 0.30 2.22 -5.25 -1.25 -0.37 121.20 124.59 1u37 s ILE 35 Ca 0.13 1.12 0.11 0.00 -0.99 0.00 0.00 60.65 61.02 1u37 s ILE 35 Cb -0.23 -3.86 -0.05 0.00 2.95 0.00 0.00 42.46 41.26 1u37 s ILE 35 CO 0.07 0.50 -0.17 0.68 -1.79 0.00 0.00 174.94 174.22 1u37 s VAL 36 N -0.65 2.42 -0.06 8.37 -7.23 0.15 -4.65 120.40 118.75 1u37 s VAL 36 Ca 0.28 -2.35 -0.30 0.00 -1.81 0.00 0.00 61.98 57.81 1u37 s VAL 36 Cb -0.18 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 1u37 s VAL 36 CO 0.16 -0.34 1.88 -0.70 -0.31 0.00 0.00 175.10 175.79 1u37 s GLU 37 N -3.54 3.97 0.45 4.82 2.12 -1.26 0.14 118.70 125.40 1u37 s GLU 37 Ca 0.31 2.30 -0.25 0.00 0.36 0.00 0.00 54.97 57.69 1u37 s GLU 37 Cb -0.03 -4.13 -0.09 0.00 0.26 0.00 0.00 34.13 30.14 1u37 s GLU 37 CO 0.15 -1.13 1.31 -1.13 -0.54 0.00 0.00 175.26 173.92 1u37 n SER 38 N 8.12 2.70 -0.00 -1.70 3.41 -1.26 -4.86 113.62 120.03 1u37 n SER 38 Ca 0.20 1.09 0.01 0.00 -0.26 0.00 0.00 58.87 59.92 1u37 n SER 38 Cb 0.43 -1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 62.83 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 0.76 0.05 2.76 5.00 0.00 -1.26 -4.78 105.19 107.73 1u37 n GLY 39 Ca 0.07 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.49 -3.97 -1.75 1.61 2.14 -1.26 -5.03 117.44 107.68 1u37 n TRP 40 Ca -0.00 -0.84 0.05 0.00 2.07 0.00 0.00 57.50 58.78 1u37 n TRP 40 Cb 0.06 -0.75 0.08 0.00 -0.81 0.00 0.00 31.31 29.89 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 -1.38 2.69 0.18 -1.67 0.00 -1.26 -4.78 105.19 98.97 1u37 n GLY 41 Ca 0.12 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 1u37 n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1u37 h SER 42 N 0.37 0.26 -2.04 1.61 0.02 -2.04 -3.47 113.55 108.27 1u37 h SER 42 Ca -0.05 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1u37 h SER 42 Cb 1.31 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1u37 h SER 42 CO 0.02 0.76 -0.03 -0.38 -1.14 0.00 0.00 176.83 176.06 1u37 n ILE 43 N -3.92 0.00 -2.25 3.27 -0.00 -1.26 -5.12 119.36 110.08 1u37 n ILE 43 Ca -0.02 -0.20 -0.43 0.00 -0.00 0.00 0.00 62.75 62.10 1u37 n ILE 43 Cb 0.58 0.11 -0.02 0.00 -0.00 0.00 0.00 39.64 40.30 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 4.16 0.46 1.39 2.34 -1.26 -4.98 118.68 120.79 1u37 s LEU 44 Ca 0.03 1.81 -0.25 0.00 0.06 0.00 0.00 54.13 55.79 1u37 s LEU 44 Cb 0.00 -3.54 -0.08 0.00 -0.56 0.00 0.00 46.19 42.02 1u37 s LEU 44 CO 0.02 -0.90 1.38 -2.16 -1.06 0.00 0.00 176.35 173.63 1u37 s PRO 45 N 3.88 3.63 0.13 1.48 0.04 -1.26 -4.81 135.00 138.09 1u37 s PRO 45 Ca 0.63 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.98 1u37 s PRO 45 Cb -0.25 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1u37 s PRO 45 CO 0.22 -0.82 0.00 -2.37 0.04 0.00 0.00 177.00 174.07 1u37 n THR 46 N -0.31 0.00 -3.59 1.26 5.66 -1.26 -3.95 114.28 112.08 1u37 n THR 46 Ca 0.06 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.91 1u37 n THR 46 Cb 0.43 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.14 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 -1.53 0.00 -0.16 1.08 -7.23 -1.25 -4.37 120.40 106.93 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 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.06 1u37 s ILE 48 N -0.17 1.40 -0.25 -0.62 1.01 0.38 -2.55 121.20 120.40 1u37 s ILE 48 Ca -0.03 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 1u37 s ILE 48 Cb -0.03 -1.43 -0.32 0.00 0.01 0.00 0.00 42.46 40.69 1u37 s ILE 48 CO 0.03 0.30 1.70 -0.38 0.00 0.00 0.00 174.94 176.59 1u37 n ILE 49 N 4.80 0.45 -0.32 2.92 5.41 -1.18 0.30 119.36 131.73 1u37 n ILE 49 Ca -0.14 -0.40 0.09 0.00 1.00 0.00 0.00 62.75 63.30 1u37 n ILE 49 Cb 0.49 -2.08 0.26 0.00 -0.71 0.00 0.00 39.64 37.60 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 9.59 1.43 -3.07 -1.39 0.00 -1.05 0.07 119.26 124.85 1u37 h ALA 50 Ca 0.28 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1u37 h ALA 50 Cb 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1u37 h ALA 50 CO 1.97 -0.05 0.00 0.09 0.00 0.00 0.00 179.25 181.26 1u37 n ASN 51 N -4.81 0.13 -3.57 0.00 3.02 -1.15 -4.71 115.26 104.17 1u37 n ASN 51 Ca 0.19 -1.00 -0.06 0.00 -0.03 0.00 0.00 54.58 53.68 1u37 n ASN 51 Cb 0.47 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 1u37 n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u37 s MET 52 N -1.99 0.82 -0.31 3.52 0.23 -1.26 -2.23 119.30 118.09 1u37 s MET 52 Ca 0.00 -0.35 -0.22 0.00 -1.03 0.00 0.00 55.69 54.09 1u37 s MET 52 Cb 0.00 0.35 -0.00 0.00 -1.53 0.00 0.00 34.83 33.64 1u37 s MET 52 CO 0.00 -0.36 0.71 1.41 -2.03 0.00 0.00 175.02 174.74 1u37 s MET 53 N -3.05 3.92 -0.50 3.16 1.75 0.19 -4.90 119.30 119.87 1u37 s MET 53 Ca 0.07 0.42 -0.29 0.00 -1.25 0.00 0.00 55.69 54.65 1u37 s MET 53 Cb -0.01 -3.73 -0.10 0.00 2.84 0.00 0.00 34.83 33.83 1u37 s MET 53 CO -0.06 -0.63 2.39 0.72 -0.65 0.00 0.00 175.02 176.79 1u37 n HIS 54 N 6.05 1.42 -0.20 4.11 8.25 -1.26 0.43 115.22 134.01 1u37 n HIS 54 Ca 0.01 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1u37 n HIS 54 Cb 0.48 -2.60 0.00 0.00 1.12 0.00 0.00 29.99 29.00 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 6.14 0.91 3.62 -1.41 0.00 -1.26 -5.06 105.19 108.13 1u37 n GLY 55 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 1u37 n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u37 s GLY 56 N -1.67 1.56 0.25 -0.02 0.00 0.17 -4.44 107.32 103.16 1u37 s GLY 56 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 44.72 44.18 1u37 s GLY 56 CO 0.00 0.20 1.69 -2.55 0.00 0.00 0.00 173.10 172.44 1u37 h PRO 57 N -2.20 0.29 -0.12 2.90 0.11 -1.68 1.05 132.00 132.36 1u37 h PRO 57 Ca -0.53 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.58 1u37 h PRO 57 Cb 1.33 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1u37 h PRO 57 CO 0.51 0.19 -0.02 0.00 -0.21 0.00 0.00 178.00 178.47 1u37 h ALA 58 N 1.63 0.08 -0.00 -0.75 0.00 -0.41 -2.27 119.26 117.55 1u37 h ALA 58 Ca 0.44 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.22 1u37 h ALA 58 Cb 0.77 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1u37 h ALA 58 CO -0.51 -0.48 -0.80 1.49 0.00 0.00 0.00 179.25 178.95 1u37 h GLU 59 N 0.01 0.05 -0.42 0.00 4.57 -1.54 -3.26 114.58 113.98 1u37 h GLU 59 Ca 0.06 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1u37 h GLU 59 Cb 0.08 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.62 1u37 h GLU 59 CO -0.11 0.82 0.01 0.87 -1.18 0.00 0.00 179.01 179.42 1u37 h LYS 60 N 0.03 0.12 -0.71 1.92 1.57 0.15 -1.25 116.57 118.40 1u37 h LYS 60 Ca -0.02 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1u37 h LYS 60 Cb 1.41 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.63 1u37 h LYS 60 CO 0.11 0.08 0.38 1.03 -0.57 0.00 0.00 179.45 180.48 1u37 h SER 61 N 0.12 0.53 0.00 0.86 0.87 -1.47 -3.46 113.55 111.01 1u37 h SER 61 Ca 0.21 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1u37 h SER 61 Cb 0.30 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1u37 h SER 61 CO -0.34 0.32 0.00 0.61 -0.53 0.00 0.00 176.83 176.90 1u37 n GLY 62 N -1.30 1.32 0.11 5.77 0.00 -0.47 -4.88 105.19 105.75 1u37 n GLY 62 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 3.27 0.17 -5.52 1.61 6.56 -1.85 -3.44 116.57 117.37 1u37 h LYS 63 Ca 0.00 -0.29 -0.64 0.00 -1.06 0.00 0.00 60.65 58.66 1u37 h LYS 63 Cb 0.00 0.11 -0.14 0.00 -0.57 0.00 0.00 32.23 31.63 1u37 h LYS 63 CO 0.00 0.94 0.19 -0.51 -2.06 0.00 0.00 179.45 178.01 1u37 s LEU 64 N -6.71 4.37 -0.01 2.94 1.43 -1.26 -5.04 118.68 114.41 1u37 s LEU 64 Ca -0.11 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1u37 s LEU 64 Cb 0.07 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 1u37 s LEU 64 CO 0.82 -0.76 -0.26 0.54 0.23 0.00 0.00 176.35 176.93 1u37 s ASN 65 N 1.97 3.01 -0.17 2.29 2.20 -1.26 -4.53 114.94 118.45 1u37 s ASN 65 Ca 0.25 -0.49 -0.38 0.00 -0.94 0.00 0.00 52.86 51.30 1u37 s ASN 65 Cb -0.14 -0.32 -0.18 0.00 -2.00 0.00 0.00 41.25 38.61 1u37 s ASN 65 CO 0.19 0.30 1.15 -0.38 -2.94 0.00 0.00 177.10 175.41 1u37 n ILE 66 N 2.32 0.00 0.00 0.54 5.41 -1.26 -0.62 119.36 125.75 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 0.51 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 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 2.21 0.31 3.60 7.39 0.00 0.01 -4.97 105.19 113.74 1u37 n GLY 67 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.13 5.93 -1.06 1.61 1.01 0.21 -4.70 116.67 117.55 1u37 s ASP 68 Ca 0.00 1.16 -0.23 0.00 0.71 0.00 0.00 52.55 54.19 1u37 s ASP 68 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1u37 s ASP 68 CO 0.00 -1.70 1.89 -1.58 0.21 0.00 0.00 175.17 173.98 1u37 s GLN 69 N 5.62 2.72 0.35 8.23 2.00 -0.18 -3.13 119.66 135.27 1u37 s GLN 69 Ca 0.76 -0.85 -0.28 0.00 -2.00 0.00 0.00 55.36 52.99 1u37 s GLN 69 Cb -0.20 -5.20 -0.11 0.00 0.80 0.00 0.00 33.01 28.30 1u37 s GLN 69 CO 0.33 -3.45 1.47 -0.89 -0.50 0.00 0.00 175.29 172.25 1u37 n ILE 70 N 7.66 1.78 -0.09 -2.34 5.41 -1.06 -1.84 119.36 128.88 1u37 n ILE 70 Ca 0.42 -0.44 -0.12 0.00 1.00 0.00 0.00 62.75 63.61 1u37 n ILE 70 Cb 0.47 -1.89 -0.09 0.00 -0.71 0.00 0.00 39.64 37.42 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 0.84 0.67 -3.46 0.38 1.56 -0.08 -4.00 117.12 113.02 1u37 n MET 71 Ca 0.04 0.09 -0.13 0.00 -0.27 0.00 0.00 57.70 57.42 1u37 n MET 71 Cb 0.38 -1.38 -0.03 0.00 2.15 0.00 0.00 33.22 34.34 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 -5.64 -0.56 -0.12 6.12 1.04 -0.81 0.59 113.70 114.32 1u37 s SER 72 Ca -0.22 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.37 1u37 s SER 72 Cb 0.06 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1u37 s SER 72 CO 0.46 -0.88 -0.20 -0.63 0.98 0.00 0.00 173.24 172.98 1u37 s ILE 73 N -3.16 1.83 -0.74 -1.02 1.01 -0.01 -1.02 121.20 118.10 1u37 s ILE 73 Ca -0.02 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 1u37 s ILE 73 Cb -0.01 -1.62 0.09 0.00 0.01 0.00 0.00 42.46 40.93 1u37 s ILE 73 CO -0.08 0.51 0.23 -0.46 0.00 0.00 0.00 174.94 175.15 1u37 n ASN 74 N 3.95 -1.15 0.00 3.58 0.23 0.31 0.15 115.26 122.33 1u37 n ASN 74 Ca -0.20 -0.27 0.00 0.00 -0.53 0.00 0.00 54.58 53.58 1u37 n ASN 74 Cb 0.52 -1.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.16 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 -0.67 1.48 2.89 4.83 0.00 -1.23 -4.90 105.19 107.59 1u37 n GLY 75 Ca 0.05 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 1.96 0.05 2.61 2.01 0.38 -5.09 115.64 115.57 1u37 s THR 76 Ca 0.00 -2.50 -0.30 0.00 0.31 0.00 0.00 61.69 59.20 1u37 s THR 76 Cb 0.00 -2.41 -0.09 0.00 0.01 0.00 0.00 72.50 70.01 1u37 s THR 76 CO 0.00 -0.72 1.93 -0.44 -0.69 0.00 0.00 174.62 174.70 1u37 s SER 77 N 0.59 6.46 0.02 3.53 0.01 -1.26 -0.83 113.70 122.22 1u37 s SER 77 Ca 0.14 2.66 0.24 0.00 1.31 0.00 0.00 55.95 60.30 1u37 s SER 77 Cb -0.22 -2.54 0.37 0.00 0.21 0.00 0.00 66.02 63.85 1u37 s SER 77 CO -0.07 -1.04 1.32 0.18 0.41 0.00 0.00 173.24 174.03 1u37 n LEU 78 N 7.24 0.58 -4.53 2.44 4.77 0.20 -4.73 117.00 122.96 1u37 n LEU 78 Ca 0.19 -0.01 -0.44 0.00 -0.03 0.00 0.00 56.01 55.72 1u37 n LEU 78 Cb 0.41 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1u37 n LEU 78 CO 0.67 0.10 1.90 0.52 -1.33 0.00 0.00 177.39 179.26 1u37 n VAL 79 N -1.63 0.17 0.00 4.08 0.31 -1.22 -0.57 118.33 119.48 1u37 n VAL 79 Ca 0.05 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1u37 n VAL 79 Cb 0.36 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 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 6.12 3.05 3.70 2.92 0.00 -1.25 -5.05 105.19 114.68 1u37 n GLY 80 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 4.35 1.04 0.99 1.43 0.27 -4.98 118.68 121.77 1u37 s LEU 81 Ca 0.00 2.32 -0.15 0.00 -1.03 0.00 0.00 54.13 55.27 1u37 s LEU 81 Cb 0.00 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.74 1u37 s LEU 81 CO 0.00 -0.74 0.37 -2.65 0.23 0.00 0.00 176.35 173.56 1u37 n PRO 82 N 4.73 -1.02 -0.18 1.29 -0.02 -1.26 -4.69 135.00 133.85 1u37 n PRO 82 Ca 0.13 -0.26 -0.07 0.00 -2.02 0.00 0.00 63.50 61.28 1u37 n PRO 82 Cb 0.42 -1.87 0.02 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.89 0.62 -1.66 2.45 6.46 -1.94 -1.88 115.31 117.47 1u37 h LEU 83 Ca -0.49 -0.03 0.17 0.00 -0.12 0.00 0.00 57.88 57.42 1u37 h LEU 83 Cb 1.32 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 41.04 1u37 h LEU 83 CO 0.38 0.46 0.52 0.28 -0.62 0.00 0.00 178.44 179.46 1u37 h SER 84 N 0.72 0.30 -0.05 1.25 0.02 -1.98 -0.66 113.55 113.15 1u37 h SER 84 Ca 0.19 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1u37 h SER 84 Cb -0.07 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1u37 h SER 84 CO -0.04 0.15 -0.20 0.74 -1.14 0.00 0.00 176.83 176.33 1u37 h THR 85 N 0.32 1.45 -0.16 -2.27 2.02 -1.68 -2.38 112.91 110.20 1u37 h THR 85 Ca 0.38 -1.62 0.03 0.00 0.77 0.00 0.00 66.41 65.97 1u37 h THR 85 Cb 1.03 2.36 -0.03 0.00 -1.74 0.00 0.00 68.15 69.77 1u37 h THR 85 CO -0.11 0.45 -0.04 0.00 0.37 0.00 0.00 175.52 176.20 1u37 h GLN 87 N -0.00 -0.36 -1.00 0.00 1.08 -1.26 -1.92 115.11 111.65 1u37 h GLN 87 Ca 0.08 0.02 0.18 0.00 -1.45 0.00 0.00 58.65 57.49 1u37 h GLN 87 Cb 0.12 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 27.53 1u37 h GLN 87 CO -0.16 -0.24 0.62 0.66 -0.95 0.00 0.00 178.83 178.75 1u37 h SER 88 N -0.37 0.79 -0.76 1.46 4.64 -1.07 0.15 113.55 118.38 1u37 h SER 88 Ca 0.02 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1u37 h SER 88 Cb 0.37 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 1u37 h SER 88 CO -0.08 0.29 0.43 0.40 -0.87 0.00 0.00 176.83 177.01 1u37 h ILE 89 N 0.77 1.23 -0.55 0.95 2.04 -0.21 0.21 117.51 121.94 1u37 h ILE 89 Ca 0.57 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1u37 h ILE 89 Cb 0.87 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1u37 h ILE 89 CO -0.36 0.25 0.34 0.40 0.00 0.00 0.00 178.15 178.78 1u37 h ILE 90 N 1.05 1.15 0.01 -0.67 2.04 -0.03 -1.70 117.51 119.37 1u37 h ILE 90 Ca 0.27 -0.32 -0.22 0.00 1.00 0.00 0.00 64.86 65.59 1u37 h ILE 90 Cb 0.01 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1u37 h ILE 90 CO -0.05 0.16 -0.94 0.11 0.00 0.00 0.00 178.15 177.43 1u37 h LYS 91 N 0.76 0.33 -0.00 2.37 6.56 -0.51 -3.21 116.57 122.86 1u37 h LYS 91 Ca 0.20 -0.37 -0.04 0.00 -1.06 0.00 0.00 60.65 59.38 1u37 h LYS 91 Cb -0.05 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 1u37 h LYS 91 CO -0.04 1.06 -0.18 0.78 -2.06 0.00 0.00 179.45 179.01 1u37 h GLY 92 N 1.47 0.01 -3.98 3.86 0.00 0.25 -2.54 103.07 102.14 1u37 h GLY 92 Ca -0.07 -0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.61 1u37 h GLY 92 CO 0.16 0.00 0.84 1.47 0.00 0.00 0.00 176.54 179.01 1u37 n LEU 93 N -4.32 7.56 0.15 3.11 -0.00 -0.83 -4.46 117.00 118.21 1u37 n LEU 93 Ca -0.02 -4.18 0.03 0.00 -0.00 0.00 0.00 56.01 51.84 1u37 n LEU 93 Cb 0.25 -0.97 0.12 0.00 -0.00 0.00 0.00 43.42 42.82 1u37 n LEU 93 CO 0.36 1.41 0.53 0.50 -0.00 0.00 0.00 177.39 180.20 1u37 h LYS 94 N 1.87 0.00 -1.86 1.47 3.64 -1.56 -3.34 116.57 116.79 1u37 h LYS 94 Ca 0.60 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 59.44 1u37 h LYS 94 Cb 1.03 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.44 1u37 h LYS 94 CO 1.51 0.48 -0.84 0.09 -2.27 0.00 0.00 179.45 178.43 1u37 n ASN 95 N -3.32 3.52 -0.04 4.20 4.13 -1.26 0.11 115.26 122.60 1u37 n ASN 95 Ca 0.01 -3.45 -0.04 0.00 1.68 0.00 0.00 54.58 52.78 1u37 n ASN 95 Cb 0.67 -0.54 -0.06 0.00 -1.54 0.00 0.00 39.78 38.31 1u37 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u37 n GLN 96 N -0.20 2.63 -0.89 3.52 1.13 -1.25 -4.80 117.38 117.52 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 0.57 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.72 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 -2.31 -0.53 -3.56 1.08 2.88 -1.26 -4.94 113.62 104.97 1u37 n SER 97 Ca -0.13 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.26 1u37 n SER 97 Cb 0.75 -0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.29 0.89 -0.22 -1.46 0.52 -1.21 -1.57 118.95 115.61 1u37 s ARG 98 Ca 0.00 0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 55.60 1u37 s ARG 98 Cb 0.00 0.42 0.08 0.00 0.52 0.00 0.00 34.95 35.97 1u37 s ARG 98 CO 0.00 -0.23 0.11 0.08 0.02 0.00 0.00 175.30 175.28 1u37 s VAL 99 N -0.70 -0.09 -1.17 3.52 1.01 0.14 -4.87 120.40 118.25 1u37 s VAL 99 Ca -0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1u37 s VAL 99 Cb -0.02 -0.75 0.22 0.00 0.00 0.00 0.00 36.38 35.84 1u37 s VAL 99 CO 0.05 -0.47 1.31 0.29 0.00 0.00 0.00 175.10 176.28 1u37 n LYS 100 N 5.27 3.47 -4.04 2.72 5.02 -1.24 -0.77 118.16 128.59 1u37 n LYS 100 Ca -0.07 -4.13 -0.35 0.00 -2.02 0.00 0.00 58.31 51.75 1u37 n LYS 100 Cb 0.46 -2.81 -0.12 0.00 -0.02 0.00 0.00 35.03 32.54 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 0.18 3.39 -0.47 -0.35 2.34 0.03 0.11 118.68 123.91 1u37 s LEU 101 Ca 0.37 -0.15 -0.24 0.00 0.06 0.00 0.00 54.13 54.18 1u37 s LEU 101 Cb -0.06 -1.86 0.03 0.00 -0.56 0.00 0.00 46.19 43.74 1u37 s LEU 101 CO -0.03 0.08 0.84 0.20 -1.06 0.00 0.00 176.35 176.37 1u37 s ASN 102 N 0.94 6.41 0.47 1.48 0.02 -0.19 -1.14 114.94 122.93 1u37 s ASN 102 Ca 0.02 -0.13 0.05 0.00 -1.02 0.00 0.00 52.86 51.79 1u37 s ASN 102 Cb -0.14 -2.41 -0.02 0.00 0.02 0.00 0.00 41.25 38.70 1u37 s ASN 102 CO 0.02 -1.00 0.18 0.27 0.02 0.00 0.00 177.10 176.59 1u37 s ILE 103 N 3.49 1.83 -0.02 0.60 -4.36 -0.79 -0.91 121.20 121.05 1u37 s ILE 103 Ca 0.31 -1.74 0.02 0.00 -0.26 0.00 0.00 60.65 58.98 1u37 s ILE 103 Cb -0.12 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.02 1u37 s ILE 103 CO 0.23 0.00 -0.07 0.68 0.24 0.00 0.00 174.94 176.02 1u37 s VAL 104 N -2.72 0.58 -2.71 8.37 -7.23 -0.77 -1.51 120.40 114.41 1u37 s VAL 104 Ca 0.30 -0.27 0.26 0.00 -1.81 0.00 0.00 61.98 60.47 1u37 s VAL 104 Cb 0.02 -0.52 0.40 0.00 0.56 0.00 0.00 36.38 36.84 1u37 s VAL 104 CO 0.17 0.19 1.54 -1.14 -0.31 0.00 0.00 175.10 175.55