#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 3.42 -0.14 4.31 0.40 -1.26 -1.41 117.98 123.30 1u37 s PHE 18 Ca 0.00 1.53 -0.01 0.00 -0.60 0.00 0.00 56.93 57.86 1u37 s PHE 18 Cb 0.00 -3.42 0.04 0.00 0.51 0.00 0.00 43.02 40.15 1u37 s PHE 18 CO 0.00 -1.06 -0.05 0.21 0.70 0.00 0.00 175.22 175.02 1u37 s LYS 19 N -1.00 1.37 -1.15 0.44 2.20 -0.11 -4.94 119.74 116.55 1u37 s LYS 19 Ca 0.49 -0.39 -0.18 0.00 -0.36 0.00 0.00 55.97 55.53 1u37 s LYS 19 Cb -0.34 -1.81 -0.05 0.00 -1.51 0.00 0.00 37.83 34.13 1u37 s LYS 19 CO 0.41 -0.38 2.04 -0.25 -0.36 0.00 0.00 175.35 176.81 1u37 n ASP 20 N 4.92 3.37 -4.69 1.43 8.00 -1.26 -1.72 116.55 126.61 1u37 n ASP 20 Ca -0.12 -2.77 -0.43 0.00 0.71 0.00 0.00 54.79 52.18 1u37 n ASP 20 Cb 0.49 -1.46 -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 5.79 0.38 -3.84 2.53 0.31 -0.05 -4.80 118.33 118.66 1u37 n VAL 21 Ca 0.50 -0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 64.41 1u37 n VAL 21 Cb 0.41 -2.07 -0.13 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 2.83 3.49 -0.51 3.52 2.19 -1.22 -0.79 117.98 127.49 1u37 s PHE 22 Ca 0.83 -2.26 -0.16 0.00 0.33 0.00 0.00 56.93 55.67 1u37 s PHE 22 Cb -0.51 -2.82 0.10 0.00 -1.31 0.00 0.00 43.02 38.48 1u37 s PHE 22 CO 0.39 -0.91 0.47 0.42 1.83 0.00 0.00 175.22 177.42 1u37 s ILE 23 N 1.17 5.18 -0.35 3.12 -1.09 -0.06 -4.66 121.20 124.51 1u37 s ILE 23 Ca 0.04 -1.19 -0.13 0.00 -2.23 0.00 0.00 60.65 57.14 1u37 s ILE 23 Cb -0.21 -4.24 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1u37 s ILE 23 CO -0.03 -0.73 0.25 -1.61 -1.23 0.00 0.00 174.94 171.58 1u37 s GLU 24 N 1.75 3.34 0.00 2.79 2.02 -1.26 0.34 118.70 127.68 1u37 s GLU 24 Ca 0.05 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1u37 s GLU 24 Cb -0.26 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.14 1u37 s GLU 24 CO 0.06 -0.52 0.00 0.36 0.02 0.00 0.00 175.26 175.18 1u37 n LYS 25 N 5.11 1.05 -4.00 1.61 2.85 -0.50 -4.91 118.16 119.37 1u37 n LYS 25 Ca -0.12 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.79 1u37 n LYS 25 Cb 0.49 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.78 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 -1.89 3.80 -0.36 -1.58 1.11 -1.26 -4.07 119.66 115.41 1u37 s GLN 26 Ca 0.00 -0.30 -0.42 0.00 0.01 0.00 0.00 55.36 54.65 1u37 s GLN 26 Cb 0.00 -3.18 -0.17 0.00 -1.01 0.00 0.00 33.01 28.65 1u37 s GLN 26 CO 0.00 0.41 1.79 1.63 0.01 0.00 0.00 175.29 179.13 1u37 n LYS 27 N 3.12 0.77 0.00 2.91 5.02 -1.26 -1.33 118.16 127.39 1u37 n LYS 27 Ca -0.17 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1u37 n LYS 27 Cb 0.53 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 4.68 1.34 2.96 0.72 0.00 0.15 -4.92 105.19 110.13 1u37 n GLY 28 Ca 0.32 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.34 1.42 0.59 1.61 0.41 0.48 -4.91 118.70 117.96 1u37 s GLU 29 Ca 0.00 -0.29 -0.17 0.00 -0.41 0.00 0.00 54.97 54.10 1u37 s GLU 29 Cb 0.00 -1.28 -0.04 0.00 -1.78 0.00 0.00 34.13 31.04 1u37 s GLU 29 CO 0.00 -0.06 1.08 0.96 -0.49 0.00 0.00 175.26 176.76 1u37 s ILE 30 N 0.93 3.52 0.17 -1.63 -4.36 -1.26 -4.02 121.20 114.55 1u37 s ILE 30 Ca -0.10 0.78 -0.19 0.00 -0.26 0.00 0.00 60.65 60.88 1u37 s ILE 30 Cb -0.15 -3.29 0.11 0.00 1.25 0.00 0.00 42.46 40.38 1u37 s ILE 30 CO 0.01 -0.36 1.63 0.25 0.24 0.00 0.00 174.94 176.70 1u37 h LEU 31 N 0.60 -0.74 0.00 0.37 6.46 -1.78 -3.40 115.31 116.82 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 1.24 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1u37 h LEU 31 CO 0.56 -0.25 0.00 0.61 -0.62 0.00 0.00 178.44 178.75 1u37 n GLY 32 N -1.39 1.34 3.32 3.75 0.00 -1.26 0.26 105.19 111.21 1u37 n GLY 32 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 2.94 -0.57 1.61 -7.23 -1.26 0.14 120.40 114.03 1u37 s VAL 33 Ca 0.00 -0.68 -0.13 0.00 -1.81 0.00 0.00 61.98 59.36 1u37 s VAL 33 Cb 0.00 -2.25 0.14 0.00 0.56 0.00 0.00 36.38 34.83 1u37 s VAL 33 CO 0.00 0.51 0.49 -0.69 -0.31 0.00 0.00 175.10 175.09 1u37 s VAL 34 N 0.66 4.84 -0.02 1.32 1.01 0.30 -4.97 120.40 123.54 1u37 s VAL 34 Ca -0.07 -1.84 -0.03 0.00 0.00 0.00 0.00 61.98 60.05 1u37 s VAL 34 Cb -0.15 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1u37 s VAL 34 CO 0.02 -0.86 0.16 0.27 0.00 0.00 0.00 175.10 174.69 1u37 s ILE 35 N 1.19 5.29 0.21 2.22 -5.25 -1.25 0.16 121.20 123.77 1u37 s ILE 35 Ca 0.07 -0.18 0.08 0.00 -0.99 0.00 0.00 60.65 59.64 1u37 s ILE 35 Cb -0.25 -3.45 -0.05 0.00 2.95 0.00 0.00 42.46 41.67 1u37 s ILE 35 CO -0.01 0.36 -0.15 0.68 -1.79 0.00 0.00 174.94 174.04 1u37 s VAL 36 N -1.27 1.80 -0.05 8.37 -7.23 0.50 -4.69 120.40 117.83 1u37 s VAL 36 Ca 0.25 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 1u37 s VAL 36 Cb -0.12 -2.08 -0.07 0.00 0.56 0.00 0.00 36.38 34.66 1u37 s VAL 36 CO 0.16 -0.57 1.98 -1.61 -0.31 0.00 0.00 175.10 174.76 1u37 s GLU 37 N -3.64 3.87 -0.59 4.82 0.41 -1.26 0.12 118.70 122.44 1u37 s GLU 37 Ca 0.23 2.38 -0.26 0.00 -0.41 0.00 0.00 54.97 56.91 1u37 s GLU 37 Cb -0.01 -4.19 -0.08 0.00 -1.78 0.00 0.00 34.13 28.07 1u37 s GLU 37 CO 0.08 -1.25 2.33 -1.54 -0.49 0.00 0.00 175.26 174.39 1u37 s SER 38 N 5.29 4.42 0.00 -0.19 1.04 -1.26 -4.77 113.70 118.22 1u37 s SER 38 Ca 0.89 0.70 0.19 0.00 0.48 0.00 0.00 55.95 58.20 1u37 s SER 38 Cb -0.38 -2.52 0.95 0.00 0.10 0.00 0.00 66.02 64.17 1u37 s SER 38 CO 0.38 -3.06 1.64 0.61 0.98 0.00 0.00 173.24 173.79 1u37 n GLY 39 N 6.19 -0.57 2.29 7.32 0.00 -1.26 -4.46 105.19 114.70 1u37 n GLY 39 Ca 0.37 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.41 -3.64 -1.98 1.61 2.14 -1.26 -5.04 117.44 108.87 1u37 n TRP 40 Ca 0.14 -0.84 -0.01 0.00 2.07 0.00 0.00 57.50 58.87 1u37 n TRP 40 Cb 0.15 -0.54 0.12 0.00 -0.81 0.00 0.00 31.31 30.23 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 0.10 4.21 0.14 -1.67 0.00 -1.26 -4.75 105.19 101.95 1u37 n GLY 41 Ca 0.10 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 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 1.36 0.53 -5.64 1.61 0.02 -1.96 -3.49 113.55 105.97 1u37 h SER 42 Ca 0.01 -0.93 -0.31 0.00 -0.84 0.00 0.00 61.79 59.72 1u37 h SER 42 Cb 1.32 -0.17 -0.12 0.00 0.14 0.00 0.00 62.40 63.58 1u37 h SER 42 CO 0.18 1.81 -0.40 -0.63 -1.14 0.00 0.00 176.83 176.66 1u37 s ILE 43 N -2.57 0.00 -0.23 3.27 1.09 -1.26 -5.10 121.20 116.40 1u37 s ILE 43 Ca -0.19 -1.82 -0.29 0.00 -1.10 0.00 0.00 60.65 57.25 1u37 s ILE 43 Cb 0.06 -2.51 -0.06 0.00 -1.06 0.00 0.00 42.46 38.88 1u37 s ILE 43 CO 0.82 0.00 2.21 0.00 -0.10 0.00 0.00 174.94 177.86 1u37 n LEU 44 N -0.49 3.12 -4.60 2.97 -0.00 -1.26 -4.87 117.00 111.87 1u37 n LEU 44 Ca 0.03 0.27 -0.52 0.00 -0.00 0.00 0.00 56.01 55.79 1u37 n LEU 44 Cb 0.63 -1.51 -0.06 0.00 -0.00 0.00 0.00 43.42 42.48 1u37 n LEU 44 CO 0.31 -0.66 0.94 -2.65 -0.00 0.00 0.00 177.39 175.33 1u37 n PRO 45 N 8.60 1.23 0.09 1.47 -0.02 -1.26 -4.77 135.00 140.34 1u37 n PRO 45 Ca 0.31 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1u37 n PRO 45 Cb 0.41 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1u37 n PRO 45 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1u37 n THR 46 N 2.65 0.00 -3.51 3.45 5.66 -1.26 -4.29 114.28 116.98 1u37 n THR 46 Ca 0.18 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 61.02 1u37 n THR 46 Cb 0.20 -0.03 -0.05 0.00 -1.55 0.00 0.00 70.33 68.89 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 -1.38 0.00 -0.11 1.08 -7.23 -1.25 -4.29 120.40 107.22 1u37 s VAL 47 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.14 1u37 s VAL 47 Cb 0.00 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.98 1u37 s VAL 47 CO 0.00 0.00 0.06 -0.63 -0.31 0.00 0.00 175.10 174.22 1u37 s ILE 48 N -1.60 0.05 -0.17 -0.62 1.01 0.32 -3.57 121.20 116.62 1u37 s ILE 48 Ca -0.09 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 1u37 s ILE 48 Cb -0.00 -0.46 -0.35 0.00 0.01 0.00 0.00 42.46 41.66 1u37 s ILE 48 CO 0.06 -0.01 1.67 -0.38 0.00 0.00 0.00 174.94 176.28 1u37 n ILE 49 N 5.24 0.10 0.05 2.92 5.41 -1.03 -0.37 119.36 131.67 1u37 n ILE 49 Ca -0.06 -0.09 0.21 0.00 1.00 0.00 0.00 62.75 63.82 1u37 n ILE 49 Cb 0.49 -2.02 0.73 0.00 -0.71 0.00 0.00 39.64 38.14 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 10.10 2.23 -1.13 -1.39 0.00 -0.62 0.22 119.26 128.68 1u37 h ALA 50 Ca 0.24 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.33 1u37 h ALA 50 Cb 0.74 0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.27 1u37 h ALA 50 CO 1.92 -0.74 0.87 0.54 0.00 0.00 0.00 179.25 181.84 1u37 s ASN 51 N -5.28 -0.09 0.03 0.00 4.22 -1.02 -4.73 114.94 108.07 1u37 s ASN 51 Ca -0.04 0.14 0.00 0.00 -2.14 0.00 0.00 52.86 50.82 1u37 s ASN 51 Cb 0.16 0.13 0.00 0.00 1.28 0.00 0.00 41.25 42.82 1u37 s ASN 51 CO 0.57 -0.05 0.01 1.15 -2.04 0.00 0.00 177.10 176.73 1u37 n MET 52 N 1.10 1.76 -3.39 3.55 0.00 -1.26 0.11 117.12 118.99 1u37 n MET 52 Ca -0.06 -0.20 -0.38 0.00 0.00 0.00 0.00 57.70 57.06 1u37 n MET 52 Cb 0.58 0.04 -0.08 0.00 0.00 0.00 0.00 33.22 33.77 1u37 n MET 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1u37 s MET 53 N -2.11 4.17 -1.09 3.17 1.75 0.37 -4.88 119.30 120.68 1u37 s MET 53 Ca 0.01 0.19 -0.25 0.00 -1.25 0.00 0.00 55.69 54.39 1u37 s MET 53 Cb -0.00 -3.54 -0.17 0.00 2.84 0.00 0.00 34.83 33.96 1u37 s MET 53 CO 0.00 -0.04 2.07 -1.58 -0.65 0.00 0.00 175.02 174.82 1u37 s HIS 54 N 1.31 1.48 0.00 4.11 2.46 -1.26 -1.20 115.29 122.19 1u37 s HIS 54 Ca 0.19 1.62 0.00 0.00 0.47 0.00 0.00 55.06 57.34 1u37 s HIS 54 Cb -0.15 -3.58 0.00 0.00 -0.13 0.00 0.00 32.58 28.72 1u37 s HIS 54 CO 0.08 -0.94 0.00 0.41 -2.47 0.00 0.00 174.74 171.82 1u37 n GLY 55 N 6.10 1.59 4.02 1.59 0.00 -1.26 -5.13 105.19 112.10 1u37 n GLY 55 Ca 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.00 1.80 0.25 -0.02 0.00 -0.34 -4.81 107.32 102.20 1u37 s GLY 56 Ca 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 44.72 42.73 1u37 s GLY 56 CO 0.00 -1.58 1.66 -2.55 0.00 0.00 0.00 173.10 170.63 1u37 h PRO 57 N 0.29 0.19 -0.24 2.90 0.11 -1.60 0.90 132.00 134.55 1u37 h PRO 57 Ca -0.34 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.78 1u37 h PRO 57 Cb 1.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1u37 h PRO 57 CO 0.42 0.13 0.10 0.00 -0.21 0.00 0.00 178.00 178.44 1u37 h ALA 58 N 1.68 0.28 -0.15 -0.75 0.00 -0.48 -0.60 119.26 119.24 1u37 h ALA 58 Ca 0.44 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 1u37 h ALA 58 Cb 0.80 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1u37 h ALA 58 CO -0.59 -0.31 -0.49 1.49 0.00 0.00 0.00 179.25 179.35 1u37 h GLU 59 N 0.22 0.40 -0.19 0.00 4.81 -1.35 -3.18 114.58 115.30 1u37 h GLU 59 Ca 0.10 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1u37 h GLU 59 Cb 0.05 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1u37 h GLU 59 CO -0.09 0.81 0.07 0.87 -0.73 0.00 0.00 179.01 179.93 1u37 h LYS 60 N 0.32 0.16 -1.00 1.92 1.79 0.14 -2.32 116.57 117.57 1u37 h LYS 60 Ca 0.01 -0.01 0.21 0.00 -2.18 0.00 0.00 60.65 58.68 1u37 h LYS 60 Cb 0.98 -0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 31.49 1u37 h LYS 60 CO 0.09 0.10 0.61 0.66 -1.08 0.00 0.00 179.45 179.83 1u37 h SER 61 N 0.16 0.75 0.00 0.86 4.64 -1.10 -3.45 113.55 115.41 1u37 h SER 61 Ca 0.08 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1u37 h SER 61 Cb 0.05 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1u37 h SER 61 CO -0.08 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1u37 n GLY 62 N -1.33 0.79 0.12 -0.77 0.00 -0.87 -4.84 105.19 98.29 1u37 n GLY 62 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.14 0.68 -3.12 1.61 4.76 -1.26 -4.85 118.16 113.84 1u37 n LYS 63 Ca 0.00 0.16 -0.43 0.00 -2.87 0.00 0.00 58.31 55.17 1u37 n LYS 63 Cb 0.01 -1.59 -0.07 0.00 -1.84 0.00 0.00 35.03 31.55 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 -6.39 4.42 -0.05 -0.35 1.43 -1.26 -5.02 118.68 111.45 1u37 s LEU 64 Ca -0.24 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1u37 s LEU 64 Cb 0.08 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1u37 s LEU 64 CO 0.70 -0.71 -0.06 0.54 0.23 0.00 0.00 176.35 177.05 1u37 s ASN 65 N 1.93 4.70 -0.34 2.29 2.20 -1.26 -4.64 114.94 119.82 1u37 s ASN 65 Ca 0.23 -0.03 -0.44 0.00 -0.94 0.00 0.00 52.86 51.68 1u37 s ASN 65 Cb -0.14 -1.18 -0.19 0.00 -2.00 0.00 0.00 41.25 37.74 1u37 s ASN 65 CO 0.17 0.35 1.56 -0.38 -2.94 0.00 0.00 177.10 175.86 1u37 n ILE 66 N 2.05 0.08 0.00 0.54 5.41 -1.26 -0.74 119.36 125.44 1u37 n ILE 66 Ca -0.17 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1u37 n ILE 66 Cb 0.53 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 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 3.65 0.71 3.72 7.39 0.00 0.78 -4.99 105.19 116.44 1u37 n GLY 67 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.25 6.95 -1.26 1.61 1.01 0.08 -4.73 116.67 118.08 1u37 s ASP 68 Ca 0.00 2.20 -0.14 0.00 0.71 0.00 0.00 52.55 55.31 1u37 s ASP 68 Cb 0.00 -2.59 0.14 0.00 1.01 0.00 0.00 42.92 41.48 1u37 s ASP 68 CO 0.00 -0.55 1.61 1.67 0.21 0.00 0.00 175.17 178.12 1u37 n GLN 69 N 3.73 3.33 -1.66 8.23 0.00 -0.84 -2.45 117.38 127.71 1u37 n GLN 69 Ca 0.09 -3.59 -0.40 0.00 -0.00 0.00 0.00 57.00 53.10 1u37 n GLN 69 Cb 0.44 -3.16 0.02 0.00 0.00 0.00 0.00 30.24 27.54 1u37 n GLN 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1u37 n ILE 70 N 4.94 2.89 -0.06 1.69 5.41 -1.23 0.07 119.36 133.07 1u37 n ILE 70 Ca 0.41 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.57 1u37 n ILE 70 Cb 0.43 -1.38 -0.05 0.00 -0.71 0.00 0.00 39.64 37.93 1u37 n ILE 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1u37 n MET 71 N -0.26 0.28 -3.44 0.38 2.81 -0.02 -4.29 117.12 112.58 1u37 n MET 71 Ca 0.09 0.07 -0.11 0.00 -1.81 0.00 0.00 57.70 55.94 1u37 n MET 71 Cb 0.41 -1.18 -0.02 0.00 -0.71 0.00 0.00 33.22 31.72 1u37 n MET 71 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1u37 s SER 72 N -5.29 -0.54 -0.21 7.83 1.04 -0.82 0.49 113.70 116.20 1u37 s SER 72 Ca -0.16 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.26 1u37 s SER 72 Cb 0.04 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.79 1u37 s SER 72 CO 0.26 -0.96 -0.16 -0.63 0.98 0.00 0.00 173.24 172.74 1u37 s ILE 73 N -3.71 2.06 -0.77 -1.02 1.01 0.26 -1.25 121.20 117.78 1u37 s ILE 73 Ca 0.02 -1.22 -0.07 0.00 0.00 0.00 0.00 60.65 59.38 1u37 s ILE 73 Cb -0.01 -2.01 0.06 0.00 0.01 0.00 0.00 42.46 40.51 1u37 s ILE 73 CO -0.12 0.28 0.22 -0.46 0.00 0.00 0.00 174.94 174.86 1u37 n ASN 74 N 4.55 -2.09 0.00 3.58 0.23 0.16 0.61 115.26 122.30 1u37 n ASN 74 Ca -0.18 -0.06 0.00 0.00 -0.53 0.00 0.00 54.58 53.81 1u37 n ASN 74 Cb 0.47 -1.84 0.00 0.00 -2.08 0.00 0.00 39.78 36.32 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 -0.79 1.12 3.18 4.83 0.00 -1.26 -4.95 105.19 107.32 1u37 n GLY 75 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 4.11 0.21 2.61 2.01 0.20 -5.06 115.64 117.72 1u37 s THR 76 Ca 0.00 -2.29 -0.32 0.00 0.31 0.00 0.00 61.69 59.38 1u37 s THR 76 Cb 0.00 -3.68 -0.13 0.00 0.01 0.00 0.00 72.50 68.70 1u37 s THR 76 CO 0.00 -0.83 1.66 -0.24 -0.69 0.00 0.00 174.62 174.52 1u37 n SER 77 N 4.28 3.72 -1.22 3.53 2.88 -1.26 -0.58 113.62 124.98 1u37 n SER 77 Ca 0.01 1.08 0.12 0.00 -1.33 0.00 0.00 58.87 58.75 1u37 n SER 77 Cb 0.41 -1.54 0.25 0.00 -0.75 0.00 0.00 64.21 62.58 1u37 n SER 77 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1u37 n LEU 78 N 3.58 3.60 -4.71 2.46 4.77 0.18 -4.83 117.00 122.05 1u37 n LEU 78 Ca 0.15 -1.62 -0.38 0.00 -0.03 0.00 0.00 56.01 54.13 1u37 n LEU 78 Cb 0.33 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1u37 n LEU 78 CO 0.64 0.81 0.18 -0.69 -1.33 0.00 0.00 177.39 177.00 1u37 s VAL 79 N -1.37 5.17 0.00 4.08 1.01 -1.25 -3.96 120.40 124.08 1u37 s VAL 79 Ca 0.42 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1u37 s VAL 79 Cb 0.24 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1u37 s VAL 79 CO 0.32 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1u37 n GLY 80 N 3.38 3.23 3.86 4.51 0.00 -1.26 -5.04 105.19 113.87 1u37 n GLY 80 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 4.38 1.28 0.99 2.34 -1.25 -5.09 118.68 121.32 1u37 s LEU 81 Ca 0.00 0.80 -0.21 0.00 0.06 0.00 0.00 54.13 54.78 1u37 s LEU 81 Cb 0.00 -2.85 0.32 0.00 -0.56 0.00 0.00 46.19 43.10 1u37 s LEU 81 CO 0.00 0.22 1.06 -2.16 -1.06 0.00 0.00 176.35 174.41 1u37 s PRO 82 N -1.70 -1.86 0.28 1.48 0.04 -1.26 -4.82 135.00 127.15 1u37 s PRO 82 Ca 0.30 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.30 1u37 s PRO 82 Cb -0.14 -1.52 0.40 0.00 0.04 0.00 0.00 34.50 33.28 1u37 s PRO 82 CO 0.16 -4.14 1.73 1.25 0.04 0.00 0.00 177.00 176.05 1u37 h LEU 83 N -2.89 0.53 -0.97 -3.56 5.85 -1.97 -2.85 115.31 109.47 1u37 h LEU 83 Ca -0.44 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.25 1u37 h LEU 83 Cb 1.30 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 1u37 h LEU 83 CO 0.30 0.75 0.59 0.28 -0.34 0.00 0.00 178.44 180.02 1u37 h SER 84 N 0.48 0.83 -0.03 1.25 0.02 -1.99 0.21 113.55 114.32 1u37 h SER 84 Ca 0.08 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1u37 h SER 84 Cb 0.63 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1u37 h SER 84 CO 0.04 0.41 -0.07 0.74 -1.14 0.00 0.00 176.83 176.81 1u37 h THR 85 N 0.89 1.45 -0.25 -2.27 2.02 -1.86 -2.24 112.91 110.65 1u37 h THR 85 Ca 0.50 -1.44 0.04 0.00 0.77 0.00 0.00 66.41 66.27 1u37 h THR 85 Cb 0.56 2.33 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 1u37 h THR 85 CO -0.30 0.39 0.04 0.00 0.37 0.00 0.00 175.52 176.02 1u37 h GLN 87 N 0.13 0.41 -0.60 0.00 1.08 -0.67 -1.70 115.11 113.75 1u37 h GLN 87 Ca 0.11 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1u37 h GLN 87 Cb 0.12 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1u37 h GLN 87 CO -0.16 0.27 0.40 1.03 -0.95 0.00 0.00 178.83 179.41 1u37 h SER 88 N 0.42 0.61 -0.40 1.46 0.87 -0.85 -1.01 113.55 114.66 1u37 h SER 88 Ca 0.15 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1u37 h SER 88 Cb 0.03 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1u37 h SER 88 CO -0.09 0.43 0.18 0.40 -0.53 0.00 0.00 176.83 177.22 1u37 h ILE 89 N 0.71 1.18 -0.52 2.23 2.04 -0.08 -0.75 117.51 122.33 1u37 h ILE 89 Ca 0.24 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1u37 h ILE 89 Cb 0.06 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1u37 h ILE 89 CO -0.06 0.20 0.29 0.40 0.00 0.00 0.00 178.15 178.97 1u37 h ILE 90 N 0.50 1.16 -0.06 -0.67 2.04 -0.64 -1.42 117.51 118.42 1u37 h ILE 90 Ca 0.14 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1u37 h ILE 90 Cb 0.14 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1u37 h ILE 90 CO -0.02 0.17 0.03 0.11 0.00 0.00 0.00 178.15 178.44 1u37 h LYS 91 N 0.72 0.09 0.00 2.37 6.56 -0.41 -1.88 116.57 124.01 1u37 h LYS 91 Ca 0.19 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1u37 h LYS 91 Cb 0.01 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 1u37 h LYS 91 CO -0.03 0.20 0.00 0.41 -2.06 0.00 0.00 179.45 177.97 1u37 n GLY 92 N -0.72 -0.98 0.87 3.86 0.00 -0.37 -2.19 105.19 105.67 1u37 n GLY 92 Ca -0.06 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.66 2.35 0.07 0.99 4.77 -0.58 -3.91 117.00 119.03 1u37 n LEU 93 Ca 0.03 -1.19 -0.14 0.00 -0.03 0.00 0.00 56.01 54.68 1u37 n LEU 93 Cb 0.15 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1u37 n LEU 93 CO 0.13 0.37 -0.16 0.50 -1.33 0.00 0.00 177.39 176.90 1u37 h LYS 94 N 1.35 0.18 -2.27 3.23 3.64 -1.53 -3.32 116.57 117.84 1u37 h LYS 94 Ca 0.00 -0.30 -0.59 0.00 -1.27 0.00 0.00 60.65 58.49 1u37 h LYS 94 Cb 0.87 0.11 -0.42 0.00 -0.41 0.00 0.00 32.23 32.39 1u37 h LYS 94 CO 0.13 1.06 -0.61 0.09 -2.27 0.00 0.00 179.45 177.85 1u37 n ASN 95 N -3.41 4.35 0.00 4.20 3.02 -1.25 0.18 115.26 122.34 1u37 n ASN 95 Ca -0.10 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1u37 n ASN 95 Cb 1.01 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 0.02 0.00 -0.78 3.52 1.13 -1.26 -4.82 117.38 115.18 1u37 n GLN 96 Ca 0.31 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 1u37 n GLN 96 Cb 0.39 -0.88 0.00 0.00 0.11 0.00 0.00 30.24 29.86 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 -2.30 0.00 -3.61 1.08 7.64 -1.26 -4.88 113.62 110.29 1u37 n SER 97 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1u37 n SER 97 Cb 0.39 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.02 0.83 -0.25 1.43 0.52 -1.19 -1.41 118.95 118.87 1u37 s ARG 98 Ca 0.00 0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 55.97 1u37 s ARG 98 Cb 0.00 0.40 0.09 0.00 0.52 0.00 0.00 34.95 35.96 1u37 s ARG 98 CO 0.00 -0.14 0.14 0.08 0.02 0.00 0.00 175.30 175.40 1u37 s VAL 99 N 0.05 -0.12 -1.21 3.52 1.01 0.15 -4.87 120.40 118.93 1u37 s VAL 99 Ca -0.02 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1u37 s VAL 99 Cb -0.04 -0.84 0.21 0.00 0.00 0.00 0.00 36.38 35.71 1u37 s VAL 99 CO 0.02 -0.54 1.61 0.29 0.00 0.00 0.00 175.10 176.48 1u37 n LYS 100 N 5.27 3.70 -3.76 2.72 5.02 -1.24 -0.88 118.16 128.99 1u37 n LYS 100 Ca -0.06 -3.90 -0.36 0.00 -2.02 0.00 0.00 58.31 51.97 1u37 n LYS 100 Cb 0.45 -2.84 -0.11 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 -0.26 3.82 -0.20 -0.35 2.34 0.03 0.37 118.68 124.42 1u37 s LEU 101 Ca 0.38 -0.02 -0.22 0.00 0.06 0.00 0.00 54.13 54.34 1u37 s LEU 101 Cb 0.03 -2.02 -0.02 0.00 -0.56 0.00 0.00 46.19 43.62 1u37 s LEU 101 CO 0.01 0.04 0.67 0.20 -1.06 0.00 0.00 176.35 176.21 1u37 s ASN 102 N 1.21 6.72 0.31 1.48 0.02 -0.38 -0.87 114.94 123.43 1u37 s ASN 102 Ca 0.06 0.88 0.10 0.00 -1.02 0.00 0.00 52.86 52.88 1u37 s ASN 102 Cb -0.14 -2.37 -0.05 0.00 0.02 0.00 0.00 41.25 38.71 1u37 s ASN 102 CO 0.05 -0.32 -0.07 0.27 0.02 0.00 0.00 177.10 177.05 1u37 s ILE 103 N 2.07 2.64 -0.15 0.60 -4.36 -0.70 -0.84 121.20 120.47 1u37 s ILE 103 Ca 0.30 -2.12 -0.04 0.00 -0.26 0.00 0.00 60.65 58.53 1u37 s ILE 103 Cb -0.16 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 1u37 s ILE 103 CO 0.10 -0.28 -0.01 -0.69 0.24 0.00 0.00 174.94 174.31 1u37 s VAL 104 N -2.50 4.19 0.00 8.37 1.01 0.11 -0.94 120.40 130.64 1u37 s VAL 104 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1u37 s VAL 104 Cb -0.02 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1u37 s VAL 104 CO 0.18 0.51 0.00 -1.14 0.00 0.00 0.00 175.10 174.65