#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 2.80 -0.15 -0.32 0.08 -1.26 0.87 117.98 120.00 1u37 s PHE 18 Ca 0.00 1.55 -0.04 0.00 0.12 0.00 0.00 56.93 58.56 1u37 s PHE 18 Cb 0.00 -3.30 0.08 0.00 -0.57 0.00 0.00 43.02 39.23 1u37 s PHE 18 CO 0.00 -1.44 0.26 0.15 -0.10 0.00 0.00 175.22 174.09 1u37 s LYS 19 N -3.03 0.17 -1.24 0.44 1.02 0.16 -4.90 119.74 112.36 1u37 s LYS 19 Ca 0.68 0.59 -0.19 0.00 0.02 0.00 0.00 55.97 57.07 1u37 s LYS 19 Cb -0.25 -0.36 -0.00 0.00 -0.52 0.00 0.00 37.83 36.70 1u37 s LYS 19 CO 0.29 -0.40 1.87 -0.40 -0.92 0.00 0.00 175.35 175.79 1u37 n ASP 20 N 5.34 4.02 -4.69 2.83 5.68 -1.26 -1.24 116.55 127.24 1u37 n ASP 20 Ca -0.06 -2.82 -0.42 0.00 -0.50 0.00 0.00 54.79 50.99 1u37 n ASP 20 Cb 0.50 -1.69 -0.03 0.00 -1.14 0.00 0.00 41.12 38.76 1u37 n ASP 20 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1u37 s VAL 21 N 6.42 3.52 -0.35 2.12 1.01 -0.37 -4.88 120.40 127.87 1u37 s VAL 21 Ca 0.58 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1u37 s VAL 21 Cb 0.04 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.91 1u37 s VAL 21 CO 0.08 0.00 0.08 0.12 0.00 0.00 0.00 175.10 175.39 1u37 s PHE 22 N 2.33 3.55 -0.50 5.22 2.19 -1.23 -0.86 117.98 128.68 1u37 s PHE 22 Ca 0.66 -2.47 -0.17 0.00 0.33 0.00 0.00 56.93 55.28 1u37 s PHE 22 Cb -0.34 -2.77 0.08 0.00 -1.31 0.00 0.00 43.02 38.69 1u37 s PHE 22 CO 0.28 -0.92 0.48 0.42 1.83 0.00 0.00 175.22 177.31 1u37 s ILE 23 N 1.09 5.13 -0.21 3.12 -1.09 -0.27 -4.71 121.20 124.27 1u37 s ILE 23 Ca 0.05 -1.05 -0.11 0.00 -2.23 0.00 0.00 60.65 57.31 1u37 s ILE 23 Cb -0.21 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 1u37 s ILE 23 CO -0.05 -0.73 0.17 -0.70 -1.23 0.00 0.00 174.94 172.40 1u37 s GLU 24 N 1.89 4.17 0.19 2.79 2.12 -1.26 0.02 118.70 128.61 1u37 s GLU 24 Ca 0.06 -0.18 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 1u37 s GLU 24 Cb -0.25 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.70 1u37 s GLU 24 CO 0.07 0.22 0.30 0.36 -0.54 0.00 0.00 175.26 175.66 1u37 n LYS 25 N 3.77 0.42 -2.40 4.30 -0.00 -0.84 -4.86 118.16 118.55 1u37 n LYS 25 Ca -0.15 -1.35 -0.28 0.00 -0.00 0.00 0.00 58.31 56.53 1u37 n LYS 25 Cb 0.52 1.40 0.01 0.00 -0.00 0.00 0.00 35.03 36.95 1u37 n LYS 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1u37 s GLN 26 N -2.30 3.45 0.01 -1.58 1.11 -1.26 -4.11 119.66 114.96 1u37 s GLN 26 Ca 0.13 0.31 -0.30 0.00 0.01 0.00 0.00 55.36 55.51 1u37 s GLN 26 Cb -0.01 -2.28 -0.07 0.00 -1.01 0.00 0.00 33.01 29.64 1u37 s GLN 26 CO 0.09 -0.39 1.59 0.21 0.01 0.00 0.00 175.29 176.80 1u37 s LYS 27 N -4.90 4.21 0.00 2.91 2.47 -1.26 -2.24 119.74 120.93 1u37 s LYS 27 Ca 0.50 2.18 0.00 0.00 -1.56 0.00 0.00 55.97 57.10 1u37 s LYS 27 Cb -0.11 -3.73 0.00 0.00 -1.46 0.00 0.00 37.83 32.53 1u37 s LYS 27 CO 0.47 -0.73 0.00 0.41 0.16 0.00 0.00 175.35 175.66 1u37 n GLY 28 N 3.95 1.03 3.30 5.54 0.00 0.39 -4.91 105.19 114.49 1u37 n GLY 28 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.12 3.06 0.31 1.61 0.41 0.44 -4.88 118.70 119.53 1u37 s GLU 29 Ca 0.00 -0.80 -0.12 0.00 -0.41 0.00 0.00 54.97 53.64 1u37 s GLU 29 Cb 0.00 -2.40 -0.08 0.00 -1.78 0.00 0.00 34.13 29.87 1u37 s GLU 29 CO 0.00 0.25 0.68 0.96 -0.49 0.00 0.00 175.26 176.66 1u37 s ILE 30 N 0.19 4.79 0.28 -1.63 -4.36 -1.26 -4.35 121.20 114.86 1u37 s ILE 30 Ca -0.12 0.69 0.02 0.00 -0.26 0.00 0.00 60.65 60.98 1u37 s ILE 30 Cb -0.16 -3.64 0.28 0.00 1.25 0.00 0.00 42.46 40.19 1u37 s ILE 30 CO 0.06 -0.22 1.69 0.25 0.24 0.00 0.00 174.94 176.96 1u37 h LEU 31 N 2.11 0.26 0.00 0.37 5.85 -1.83 -3.39 115.31 118.68 1u37 h LEU 31 Ca -0.47 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1u37 h LEU 31 Cb 1.18 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1u37 h LEU 31 CO 0.66 -0.01 0.00 0.61 -0.34 0.00 0.00 178.44 179.36 1u37 n GLY 32 N -1.34 0.40 3.67 3.75 0.00 -1.26 0.11 105.19 110.51 1u37 n GLY 32 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.13 5.22 -0.63 1.61 -7.23 -1.26 0.53 120.40 116.52 1u37 s VAL 33 Ca 0.00 0.62 -0.18 0.00 -1.81 0.00 0.00 61.98 60.61 1u37 s VAL 33 Cb 0.00 -3.69 0.12 0.00 0.56 0.00 0.00 36.38 33.37 1u37 s VAL 33 CO 0.00 0.26 0.72 -0.69 -0.31 0.00 0.00 175.10 175.08 1u37 s VAL 34 N 1.29 4.91 0.09 1.32 1.01 0.30 -4.96 120.40 124.36 1u37 s VAL 34 Ca 0.17 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 1u37 s VAL 34 Cb -0.15 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 1u37 s VAL 34 CO 0.07 -1.12 0.36 0.27 0.00 0.00 0.00 175.10 174.68 1u37 s ILE 35 N 2.39 5.18 0.10 2.22 -5.25 -1.25 -0.04 121.20 124.55 1u37 s ILE 35 Ca 0.13 0.18 0.04 0.00 -0.99 0.00 0.00 60.65 60.01 1u37 s ILE 35 Cb -0.22 -3.62 -0.04 0.00 2.95 0.00 0.00 42.46 41.53 1u37 s ILE 35 CO 0.04 0.19 -0.11 0.68 -1.79 0.00 0.00 174.94 173.94 1u37 s VAL 36 N -1.50 1.04 -0.20 8.37 -7.23 0.59 -4.72 120.40 116.75 1u37 s VAL 36 Ca 0.36 -1.67 -0.37 0.00 -1.81 0.00 0.00 61.98 58.49 1u37 s VAL 36 Cb -0.13 -1.41 -0.13 0.00 0.56 0.00 0.00 36.38 35.26 1u37 s VAL 36 CO 0.21 -0.53 1.87 -1.84 -0.31 0.00 0.00 175.10 174.49 1u37 n GLU 37 N 0.53 1.63 -1.98 4.82 0.28 -1.26 0.14 120.64 124.80 1u37 n GLU 37 Ca -0.16 0.59 -0.40 0.00 -0.16 0.00 0.00 57.16 57.03 1u37 n GLU 37 Cb 0.58 -2.41 -0.03 0.00 1.43 0.00 0.00 31.44 31.01 1u37 n GLU 37 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1u37 s SER 38 N 4.27 5.41 -0.01 -1.84 1.04 -1.26 -4.80 113.70 116.51 1u37 s SER 38 Ca 0.97 0.73 0.15 0.00 0.48 0.00 0.00 55.95 58.29 1u37 s SER 38 Cb -0.87 -2.53 0.45 0.00 0.10 0.00 0.00 66.02 63.17 1u37 s SER 38 CO 0.57 -2.19 1.37 0.61 0.98 0.00 0.00 173.24 174.58 1u37 n GLY 39 N 5.63 2.70 3.71 7.32 0.00 -1.26 -4.16 105.19 119.13 1u37 n GLY 39 Ca 0.23 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 1u37 n GLY 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u37 s TRP 40 N -1.06 0.78 -0.96 1.61 -2.14 -1.26 -4.94 118.94 110.97 1u37 s TRP 40 Ca 0.34 0.40 -0.03 0.00 2.66 0.00 0.00 56.10 59.47 1u37 s TRP 40 Cb 0.18 -3.72 0.23 0.00 -3.10 0.00 0.00 33.47 27.06 1u37 s TRP 40 CO 0.22 -3.50 2.20 0.41 -2.66 0.00 0.00 176.95 173.62 1u37 n GLY 41 N -1.97 5.43 3.45 3.67 0.00 -1.26 -4.91 105.19 109.60 1u37 n GLY 41 Ca 0.14 -2.29 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 1u37 n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u37 s SER 42 N -0.52 -0.54 0.25 1.61 0.15 -1.26 -5.14 113.70 108.25 1u37 s SER 42 Ca 0.50 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1u37 s SER 42 Cb 0.28 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 1u37 s SER 42 CO -0.20 -0.49 0.00 -0.38 1.20 0.00 0.00 173.24 173.36 1u37 n ILE 43 N 1.36 0.00 -3.54 6.45 -0.00 -1.26 -4.67 119.36 117.70 1u37 n ILE 43 Ca -0.19 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.20 1u37 n ILE 43 Cb 0.57 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.15 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 4.40 -0.04 1.39 2.34 -1.26 -5.04 118.68 120.47 1u37 s LEU 44 Ca 0.00 0.87 -0.30 0.00 0.06 0.00 0.00 54.13 54.76 1u37 s LEU 44 Cb 0.00 -2.81 -0.06 0.00 -0.56 0.00 0.00 46.19 42.76 1u37 s LEU 44 CO 0.00 0.24 1.62 -2.16 -1.06 0.00 0.00 176.35 174.99 1u37 s PRO 45 N -1.55 4.19 0.00 1.48 0.04 -1.26 -4.79 135.00 133.11 1u37 s PRO 45 Ca 0.29 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1u37 s PRO 45 Cb -0.15 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1u37 s PRO 45 CO 0.16 -0.81 0.00 0.25 0.04 0.00 0.00 177.00 176.64 1u37 n THR 46 N 5.33 0.00 -3.61 1.26 -2.24 -1.26 -3.97 114.28 109.78 1u37 n THR 46 Ca 0.17 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.80 1u37 n THR 46 Cb 0.43 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.57 0.00 -0.14 2.28 -7.23 -1.25 -4.11 120.40 109.38 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 0.12 1.30 -0.40 -0.62 1.01 0.38 -1.98 121.20 121.01 1u37 s ILE 48 Ca -0.02 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 59.83 1u37 s ILE 48 Cb -0.04 -1.29 -0.30 0.00 0.01 0.00 0.00 42.46 40.83 1u37 s ILE 48 CO 0.03 0.36 1.77 -0.38 0.00 0.00 0.00 174.94 176.72 1u37 n ILE 49 N 4.85 0.39 0.11 2.92 5.41 -0.99 -0.30 119.36 131.75 1u37 n ILE 49 Ca -0.14 -0.36 0.20 0.00 1.00 0.00 0.00 62.75 63.44 1u37 n ILE 49 Cb 0.49 -2.06 0.76 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 9.99 2.08 -2.46 -1.39 0.00 -0.80 -0.49 119.26 126.19 1u37 h ALA 50 Ca 0.23 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1u37 h ALA 50 Cb 0.77 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1u37 h ALA 50 CO 1.78 -0.59 0.43 1.21 0.00 0.00 0.00 179.25 182.09 1u37 s ASN 51 N -5.42 -0.26 0.23 0.00 2.47 -1.05 -4.81 114.94 106.10 1u37 s ASN 51 Ca -0.04 -0.30 -0.04 0.00 0.42 0.00 0.00 52.86 52.90 1u37 s ASN 51 Cb 0.16 0.50 -0.03 0.00 -1.45 0.00 0.00 41.25 40.43 1u37 s ASN 51 CO 0.56 -0.89 0.25 0.00 -3.72 0.00 0.00 177.10 173.29 1u37 s MET 52 N -3.36 1.37 -0.39 0.43 0.23 -1.26 0.11 119.30 116.42 1u37 s MET 52 Ca 0.09 -1.57 -0.23 0.00 -1.03 0.00 0.00 55.69 52.96 1u37 s MET 52 Cb -0.02 0.33 0.01 0.00 -1.53 0.00 0.00 34.83 33.63 1u37 s MET 52 CO -0.01 -0.49 0.79 1.41 -2.03 0.00 0.00 175.02 174.68 1u37 s MET 53 N -4.01 3.64 -0.80 3.16 1.75 0.19 -4.92 119.30 118.31 1u37 s MET 53 Ca 0.34 0.18 -0.24 0.00 -1.25 0.00 0.00 55.69 54.73 1u37 s MET 53 Cb 0.04 -3.85 -0.16 0.00 2.84 0.00 0.00 34.83 33.70 1u37 s MET 53 CO 0.13 -0.94 2.39 1.58 -0.65 0.00 0.00 175.02 177.52 1u37 n HIS 54 N 6.53 1.01 0.00 4.11 -0.00 -1.26 -0.03 115.22 125.59 1u37 n HIS 54 Ca 0.03 -0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1u37 n HIS 54 Cb 0.48 -2.32 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 1u37 n HIS 54 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1u37 n GLY 55 N 6.57 1.40 4.01 1.57 0.00 -1.26 -5.12 105.19 112.35 1u37 n GLY 55 Ca 0.50 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.30 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 1.86 0.23 -0.02 0.00 0.96 -4.84 107.32 103.52 1u37 s GLY 56 Ca 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 44.72 42.69 1u37 s GLY 56 CO 0.00 -1.76 1.71 -2.55 0.00 0.00 0.00 173.10 170.51 1u37 h PRO 57 N 0.27 0.34 -0.13 2.90 0.11 -1.73 0.91 132.00 134.67 1u37 h PRO 57 Ca -0.31 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.80 1u37 h PRO 57 Cb 1.29 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1u37 h PRO 57 CO 0.44 0.23 0.02 0.00 -0.21 0.00 0.00 178.00 178.48 1u37 h ALA 58 N 1.54 0.12 -0.07 -0.75 0.00 0.44 -1.15 119.26 119.39 1u37 h ALA 58 Ca 0.38 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 1u37 h ALA 58 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1u37 h ALA 58 CO -0.42 -0.43 -0.56 1.49 0.00 0.00 0.00 179.25 179.32 1u37 h GLU 59 N 0.07 0.20 -0.19 0.00 4.81 -1.57 -3.18 114.58 114.72 1u37 h GLU 59 Ca 0.06 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 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 -0.08 0.71 0.08 0.87 -0.73 0.00 0.00 179.01 179.86 1u37 h LYS 60 N 0.15 0.17 -0.81 1.92 1.57 0.13 -2.58 116.57 117.13 1u37 h LYS 60 Ca -0.00 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.94 1u37 h LYS 60 Cb 1.04 -0.04 -0.11 0.00 0.08 0.00 0.00 32.23 33.21 1u37 h LYS 60 CO 0.09 0.11 0.32 0.77 -0.57 0.00 0.00 179.45 180.17 1u37 h SER 61 N 0.17 0.28 0.00 0.86 0.02 -1.20 -3.45 113.55 110.22 1u37 h SER 61 Ca 0.08 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1u37 h SER 61 Cb 0.04 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1u37 h SER 61 CO -0.07 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.29 1u37 n GLY 62 N -1.34 0.77 0.12 -3.77 0.00 -0.97 -4.90 105.19 95.09 1u37 n GLY 62 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.31 0.56 -2.42 1.61 4.01 -1.26 -4.92 118.16 113.43 1u37 n LYS 63 Ca 0.00 0.31 -0.42 0.00 -0.51 0.00 0.00 58.31 57.69 1u37 n LYS 63 Cb 0.00 -1.53 -0.03 0.00 -0.51 0.00 0.00 35.03 32.97 1u37 n LYS 63 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1u37 s LEU 64 N -7.71 4.28 -0.03 -0.35 1.43 -1.26 -5.02 118.68 110.02 1u37 s LEU 64 Ca -0.33 1.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1u37 s LEU 64 Cb 0.10 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 1u37 s LEU 64 CO 0.47 -0.61 -0.14 0.54 0.23 0.00 0.00 176.35 176.84 1u37 s ASN 65 N 1.55 1.81 -0.56 2.29 2.20 -1.26 -4.67 114.94 116.30 1u37 s ASN 65 Ca 0.57 -0.29 -0.36 0.00 -0.94 0.00 0.00 52.86 51.84 1u37 s ASN 65 Cb -0.26 -0.43 -0.18 0.00 -2.00 0.00 0.00 41.25 38.39 1u37 s ASN 65 CO 0.23 0.14 2.04 -0.38 -2.94 0.00 0.00 177.10 176.18 1u37 n ILE 66 N 3.08 0.00 0.00 0.54 5.41 -1.26 -0.07 119.36 127.07 1u37 n ILE 66 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1u37 n ILE 66 Cb 0.54 -0.45 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 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 6.47 1.22 3.68 7.39 0.00 -0.19 -4.98 105.19 118.79 1u37 n GLY 67 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.25 6.87 -0.75 1.61 1.01 0.91 -4.70 116.67 120.36 1u37 s ASP 68 Ca 0.00 2.06 -0.22 0.00 0.71 0.00 0.00 52.55 55.09 1u37 s ASP 68 Cb 0.00 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.45 1u37 s ASP 68 CO 0.00 -0.72 1.07 -1.58 0.21 0.00 0.00 175.17 174.14 1u37 s GLN 69 N 2.59 3.26 0.38 8.23 0.74 -0.74 -2.34 119.66 131.77 1u37 s GLN 69 Ca 0.63 -0.99 -0.27 0.00 0.05 0.00 0.00 55.36 54.78 1u37 s GLN 69 Cb -0.30 -4.45 -0.09 0.00 1.10 0.00 0.00 33.01 29.27 1u37 s GLN 69 CO 0.25 -1.87 1.24 0.42 -0.55 0.00 0.00 175.29 174.79 1u37 s ILE 70 N 4.01 2.88 -0.09 -2.34 1.01 -0.84 0.14 121.20 125.98 1u37 s ILE 70 Ca 0.27 0.80 0.06 0.00 0.00 0.00 0.00 60.65 61.78 1u37 s ILE 70 Cb -0.12 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 1u37 s ILE 70 CO 0.05 0.13 -0.01 0.23 0.00 0.00 0.00 174.94 175.34 1u37 n MET 71 N 0.36 1.93 -3.48 2.79 2.81 -0.64 -3.79 117.12 117.09 1u37 n MET 71 Ca 0.03 0.02 -0.15 0.00 -1.81 0.00 0.00 57.70 55.78 1u37 n MET 71 Cb 0.44 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 31.69 1u37 n MET 71 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1u37 s SER 72 N -4.33 -0.60 -0.11 7.83 0.15 -0.93 0.12 113.70 115.83 1u37 s SER 72 Ca -0.07 0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.96 1u37 s SER 72 Cb 0.03 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.92 1u37 s SER 72 CO 0.32 -0.77 -0.13 -0.63 1.20 0.00 0.00 173.24 173.23 1u37 s ILE 73 N -2.37 1.33 -0.53 6.45 1.01 -0.07 -1.00 121.20 126.01 1u37 s ILE 73 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1u37 s ILE 73 Cb -0.00 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1u37 s ILE 73 CO -0.01 0.41 0.00 0.59 0.00 0.00 0.00 174.94 175.93 1u37 n ASN 74 N 4.44 -2.44 0.00 3.58 3.02 0.25 0.11 115.26 124.23 1u37 n ASN 74 Ca -0.18 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1u37 n ASN 74 Cb 0.51 -2.16 0.00 0.00 -0.61 0.00 0.00 39.78 37.52 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 -0.64 0.96 3.07 7.41 0.00 -1.24 -4.93 105.19 109.82 1u37 n GLY 75 Ca -0.07 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 3.02 0.23 2.61 2.01 0.30 -5.08 115.64 116.73 1u37 s THR 76 Ca 0.00 -2.42 -0.31 0.00 0.31 0.00 0.00 61.69 59.27 1u37 s THR 76 Cb 0.00 -3.09 -0.14 0.00 0.01 0.00 0.00 72.50 69.28 1u37 s THR 76 CO 0.00 -0.71 1.33 -1.20 -0.69 0.00 0.00 174.62 173.35 1u37 n SER 77 N 4.16 2.34 -0.72 3.53 7.64 -1.26 -0.90 113.62 128.41 1u37 n SER 77 Ca 0.02 1.14 0.06 0.00 1.01 0.00 0.00 58.87 61.11 1u37 n SER 77 Cb 0.40 -1.37 0.17 0.00 -1.01 0.00 0.00 64.21 62.40 1u37 n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1u37 n LEU 78 N 2.05 3.02 -4.60 -3.43 4.77 0.32 -4.86 117.00 114.27 1u37 n LEU 78 Ca 0.12 -1.97 -0.42 0.00 -0.03 0.00 0.00 56.01 53.71 1u37 n LEU 78 Cb 0.30 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1u37 n LEU 78 CO 0.62 0.75 0.64 -0.69 -1.33 0.00 0.00 177.39 177.38 1u37 s VAL 79 N -1.00 4.70 0.00 4.08 1.01 -1.25 -3.92 120.40 124.02 1u37 s VAL 79 Ca 0.26 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1u37 s VAL 79 Cb 0.14 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1u37 s VAL 79 CO 0.18 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1u37 n GLY 80 N 4.42 2.75 3.70 4.51 0.00 -1.26 -5.05 105.19 114.26 1u37 n GLY 80 Ca 0.04 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 4.32 1.16 0.99 2.34 -1.25 -5.02 118.68 121.22 1u37 s LEU 81 Ca 0.00 1.80 -0.17 0.00 0.06 0.00 0.00 54.13 55.82 1u37 s LEU 81 Cb 0.00 -3.57 0.18 0.00 -0.56 0.00 0.00 46.19 42.25 1u37 s LEU 81 CO 0.00 -0.46 0.35 -2.65 -1.06 0.00 0.00 176.35 172.53 1u37 n PRO 82 N 4.53 -2.09 -0.01 1.48 -0.02 -1.26 -4.66 135.00 132.97 1u37 n PRO 82 Ca 0.09 -0.59 0.05 0.00 -2.02 0.00 0.00 63.50 61.03 1u37 n PRO 82 Cb 0.48 -1.84 0.43 0.00 -0.02 0.00 0.00 33.50 32.55 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 -2.37 0.46 -0.25 2.45 5.85 -1.95 -2.47 115.31 117.01 1u37 h LEU 83 Ca -0.56 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.21 1u37 h LEU 83 Cb 1.34 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1u37 h LEU 83 CO 0.41 0.32 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.43 1u37 h SER 84 N 0.54 -0.42 -0.52 1.25 0.87 -1.98 0.24 113.55 113.51 1u37 h SER 84 Ca 0.17 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1u37 h SER 84 Cb 0.01 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1u37 h SER 84 CO -0.04 -0.16 0.19 0.74 -0.53 0.00 0.00 176.83 177.03 1u37 h THR 85 N -0.09 1.22 -0.10 2.23 2.02 -1.78 -2.23 112.91 114.17 1u37 h THR 85 Ca 0.14 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.63 1u37 h THR 85 Cb 0.30 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1u37 h THR 85 CO -0.32 0.27 -0.06 0.00 0.37 0.00 0.00 175.52 175.78 1u37 h GLN 87 N -0.07 0.96 -0.18 0.00 1.08 -0.44 -0.47 115.11 115.98 1u37 h GLN 87 Ca 0.06 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 1u37 h GLN 87 Cb 0.16 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1u37 h GLN 87 CO -0.14 0.63 -0.35 1.03 -0.95 0.00 0.00 178.83 179.05 1u37 h SER 88 N 0.98 0.39 -0.60 1.46 0.87 -0.68 0.18 113.55 116.15 1u37 h SER 88 Ca 0.40 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 1u37 h SER 88 Cb 0.27 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1u37 h SER 88 CO -0.16 0.72 0.10 0.40 -0.53 0.00 0.00 176.83 177.36 1u37 h ILE 89 N 0.32 1.26 0.06 2.23 2.04 0.79 0.31 117.51 124.52 1u37 h ILE 89 Ca 0.04 -1.00 -0.21 0.00 1.00 0.00 0.00 64.86 64.69 1u37 h ILE 89 Cb 0.77 0.66 0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1u37 h ILE 89 CO 0.06 0.37 -0.85 0.40 0.00 0.00 0.00 178.15 178.14 1u37 h ILE 90 N 0.96 1.40 -0.55 -0.67 2.04 -1.13 -3.10 117.51 116.46 1u37 h ILE 90 Ca 0.19 -2.28 -0.00 0.00 1.00 0.00 0.00 64.86 63.77 1u37 h ILE 90 Cb 0.41 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 39.19 1u37 h ILE 90 CO 0.01 0.67 0.33 0.11 0.00 0.00 0.00 178.15 179.27 1u37 h LYS 91 N -0.02 0.75 0.00 2.37 6.56 -0.50 -1.25 116.57 124.48 1u37 h LYS 91 Ca -0.12 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 1u37 h LYS 91 Cb 1.57 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 33.07 1u37 h LYS 91 CO 0.16 0.55 0.00 0.41 -2.06 0.00 0.00 179.45 178.51 1u37 n GLY 92 N -1.12 -1.10 2.03 3.86 0.00 0.11 -2.54 105.19 106.42 1u37 n GLY 92 Ca 0.03 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.22 6.68 0.09 0.99 4.77 -0.47 -4.36 117.00 122.49 1u37 n LEU 93 Ca 0.01 -3.55 -0.14 0.00 -0.03 0.00 0.00 56.01 52.30 1u37 n LEU 93 Cb 0.15 -0.96 -0.11 0.00 -2.33 0.00 0.00 43.42 40.16 1u37 n LEU 93 CO 0.15 1.23 0.02 0.11 -1.33 0.00 0.00 177.39 177.58 1u37 h LYS 94 N 1.47 0.26 -2.24 3.23 1.57 -1.62 -3.37 116.57 115.86 1u37 h LYS 94 Ca 0.43 -0.41 -0.59 0.00 -1.87 0.00 0.00 60.65 58.21 1u37 h LYS 94 Cb 1.18 0.14 -0.42 0.00 0.08 0.00 0.00 32.23 33.21 1u37 h LYS 94 CO 1.03 1.17 -0.63 0.27 -0.57 0.00 0.00 179.45 180.72 1u37 n ASN 95 N -3.56 4.14 -0.00 0.86 0.23 -1.26 0.17 115.26 115.83 1u37 n ASN 95 Ca -0.07 -3.58 -0.01 0.00 -0.53 0.00 0.00 54.58 50.40 1u37 n ASN 95 Cb 0.97 -0.61 -0.01 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.22 2.06 -0.88 -3.83 1.13 -1.26 -4.82 117.38 110.00 1u37 n GLN 96 Ca 0.30 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 1u37 n GLN 96 Cb 0.40 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.73 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 -2.27 -0.59 -3.60 1.08 2.88 -1.26 -4.93 113.62 104.93 1u37 n SER 97 Ca -0.02 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.41 1u37 n SER 97 Cb 0.52 -0.83 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 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 -0.34 0.67 -0.24 -1.46 0.52 -1.22 -2.00 118.95 114.88 1u37 s ARG 98 Ca 0.00 0.44 -0.04 0.00 -0.52 0.00 0.00 55.73 55.61 1u37 s ARG 98 Cb 0.00 0.32 0.08 0.00 0.52 0.00 0.00 34.95 35.88 1u37 s ARG 98 CO 0.00 -0.15 0.11 0.08 0.02 0.00 0.00 175.30 175.36 1u37 s VAL 99 N -0.45 -0.06 -1.20 3.52 1.01 0.10 -4.89 120.40 118.43 1u37 s VAL 99 Ca -0.01 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1u37 s VAL 99 Cb -0.03 -0.83 0.19 0.00 0.00 0.00 0.00 36.38 35.71 1u37 s VAL 99 CO 0.00 -0.56 1.46 0.29 0.00 0.00 0.00 175.10 176.29 1u37 n LYS 100 N 5.26 3.46 -3.78 2.72 5.02 -1.25 -1.11 118.16 128.48 1u37 n LYS 100 Ca -0.06 -3.91 -0.36 0.00 -2.02 0.00 0.00 58.31 51.95 1u37 n LYS 100 Cb 0.45 -2.94 -0.13 0.00 -0.02 0.00 0.00 35.03 32.39 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 0.80 3.41 -0.42 -0.35 2.34 -0.04 0.88 118.68 125.30 1u37 s LEU 101 Ca 0.40 -0.34 -0.24 0.00 0.06 0.00 0.00 54.13 54.01 1u37 s LEU 101 Cb -0.02 -1.88 0.02 0.00 -0.56 0.00 0.00 46.19 43.75 1u37 s LEU 101 CO -0.01 -0.06 0.83 0.20 -1.06 0.00 0.00 176.35 176.25 1u37 s ASN 102 N 1.57 6.49 0.48 1.48 -0.87 -0.17 -1.24 114.94 122.68 1u37 s ASN 102 Ca 0.06 0.12 0.07 0.00 -1.57 0.00 0.00 52.86 51.54 1u37 s ASN 102 Cb -0.15 -2.41 0.01 0.00 -0.02 0.00 0.00 41.25 38.68 1u37 s ASN 102 CO 0.02 -0.90 0.42 0.27 -2.57 0.00 0.00 177.10 174.34 1u37 s ILE 103 N 3.38 2.21 0.05 0.60 -4.36 -0.37 -1.62 121.20 121.08 1u37 s ILE 103 Ca 0.33 -1.38 0.06 0.00 -0.26 0.00 0.00 60.65 59.40 1u37 s ILE 103 Cb -0.12 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 1u37 s ILE 103 CO 0.22 0.00 -0.18 0.68 0.24 0.00 0.00 174.94 175.90 1u37 s VAL 104 N -2.61 1.41 -1.73 8.37 -7.23 0.12 0.35 120.40 119.08 1u37 s VAL 104 Ca 0.44 -1.15 0.14 0.00 -1.81 0.00 0.00 61.98 59.60 1u37 s VAL 104 Cb -0.03 -1.26 0.11 0.00 0.56 0.00 0.00 36.38 35.77 1u37 s VAL 104 CO 0.26 0.08 0.94 0.54 -0.31 0.00 0.00 175.10 176.61