#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wq2 s GLU 2 N 0.00 2.43 0.30 0.00 -1.05 -1.26 -4.75 118.70 114.36 1wq2 s GLU 2 Ca 0.00 1.51 0.05 0.00 -0.15 0.00 0.00 54.97 56.39 1wq2 s GLU 2 Cb 0.00 -1.89 0.77 0.00 -0.44 0.00 0.00 34.13 32.56 1wq2 s GLU 2 CO 0.00 -1.56 1.71 1.49 0.95 0.00 0.00 175.26 177.85 1wq2 h GLU 3 N -0.27 0.47 -0.58 -4.83 4.57 -2.06 -1.87 114.58 110.01 1wq2 h GLU 3 Ca -0.47 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 57.62 1wq2 h GLU 3 Cb 1.26 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1wq2 h GLU 3 CO 0.52 0.31 0.09 0.00 -1.18 0.00 0.00 179.01 178.75 1wq2 h ALA 4 N 1.70 1.07 0.01 2.92 0.00 -2.00 -1.87 119.26 121.10 1wq2 h ALA 4 Ca 0.58 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 1wq2 h ALA 4 Cb 1.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1wq2 h ALA 4 CO -0.50 0.60 -0.98 0.87 0.00 0.00 0.00 179.25 179.25 1wq2 h LYS 5 N 0.88 0.05 -0.02 0.00 1.57 -1.75 -3.23 116.57 114.07 1wq2 h LYS 5 Ca 0.18 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1wq2 h LYS 5 Cb 0.39 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1wq2 h LYS 5 CO 0.01 0.98 -0.62 0.37 -0.57 0.00 0.00 179.45 179.62 1wq2 h GLN 6 N 0.02 0.06 -0.34 3.15 5.75 -1.24 -2.59 115.11 119.91 1wq2 h GLN 6 Ca -0.03 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1wq2 h GLN 6 Cb 1.70 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 30.24 1wq2 h GLN 6 CO 0.13 0.66 0.17 -0.22 -2.65 0.00 0.00 178.83 176.93 1wq2 h LYS 7 N 0.04 0.49 -0.52 1.69 1.63 -1.36 -0.89 116.57 117.65 1wq2 h LYS 7 Ca -0.01 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1wq2 h LYS 7 Cb 1.11 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.63 1wq2 h LYS 7 CO 0.08 0.43 0.30 0.28 -3.45 0.00 0.00 179.45 177.10 1wq2 h VAL 8 N 0.42 1.17 -0.57 2.00 2.07 -1.56 -2.73 116.25 117.05 1wq2 h VAL 8 Ca 0.12 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1wq2 h VAL 8 Cb 0.10 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1wq2 h VAL 8 CO -0.02 0.17 0.00 0.58 0.02 0.00 0.00 177.57 178.33 1wq2 h VAL 9 N 0.69 1.26 -0.57 2.57 2.07 -1.12 -2.88 116.25 118.27 1wq2 h VAL 9 Ca 0.18 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 1wq2 h VAL 9 Cb 0.02 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1wq2 h VAL 9 CO -0.03 0.40 0.06 0.44 0.02 0.00 0.00 177.57 178.46 1wq2 h ASP 10 N 0.90 0.90 -0.45 0.57 3.32 -1.02 -1.65 116.42 118.99 1wq2 h ASP 10 Ca 0.16 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1wq2 h ASP 10 Cb 0.52 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1wq2 h ASP 10 CO 0.03 0.92 -0.04 0.15 -1.72 0.00 0.00 179.24 178.58 1wq2 h PHE 11 N 0.88 0.89 0.00 4.55 3.57 -1.33 -3.18 116.94 122.32 1wq2 h PHE 11 Ca 0.18 -0.17 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 1wq2 h PHE 11 Cb 0.43 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1wq2 h PHE 11 CO 0.03 0.88 -0.87 -0.07 -2.23 0.00 0.00 178.31 176.04 1wq2 h LEU 12 N 0.65 0.01 -5.43 0.59 3.38 -1.45 -3.34 115.31 109.72 1wq2 h LEU 12 Ca 0.12 -0.01 -0.70 0.00 0.09 0.00 0.00 57.88 57.38 1wq2 h LEU 12 Cb 0.55 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1wq2 h LEU 12 CO 0.03 0.88 3.23 -3.20 0.09 0.00 0.00 178.44 179.47 1wq2 n ASN 13 N -3.51 7.59 -4.10 -0.43 5.15 -0.63 -4.85 115.26 114.48 1wq2 n ASN 13 Ca -0.01 -2.81 -0.20 0.00 -0.60 0.00 0.00 54.58 50.97 1wq2 n ASN 13 Cb 0.83 -1.51 -0.09 0.00 -0.53 0.00 0.00 39.78 38.47 1wq2 n ASN 13 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1wq2 s SER 14 N 1.73 1.83 -0.69 1.20 0.01 -1.26 -4.93 113.70 111.59 1wq2 s SER 14 Ca 0.60 -1.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.30 1wq2 s SER 14 Cb 0.17 0.33 0.25 0.00 0.21 0.00 0.00 66.02 66.98 1wq2 s SER 14 CO -0.07 -0.84 2.28 0.29 0.41 0.00 0.00 173.24 175.31 1wq2 n LYS 15 N -0.64 2.60 -0.33 12.44 4.01 -1.26 -5.00 118.16 129.98 1wq2 n LYS 15 Ca -0.01 -3.04 0.00 0.00 -0.51 0.00 0.00 58.31 54.75 1wq2 n LYS 15 Cb 0.65 -2.21 0.00 0.00 -0.51 0.00 0.00 35.03 32.97 1wq2 n LYS 15 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1wq2 n SER 18 N -0.06 -0.56 -4.94 4.39 2.88 -1.26 -5.12 113.62 108.95 1wq2 n SER 18 Ca 0.52 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.85 1wq2 n SER 18 Cb 0.38 -0.28 0.07 0.00 -0.75 0.00 0.00 64.21 63.63 1wq2 n SER 18 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1wq2 s LYS 19 N -0.97 2.14 0.18 -1.46 -2.85 -1.26 -5.05 119.74 110.47 1wq2 s LYS 19 Ca 0.00 -1.52 -0.12 0.00 -1.00 0.00 0.00 55.97 53.33 1wq2 s LYS 19 Cb 0.00 -2.57 0.08 0.00 -2.06 0.00 0.00 37.83 33.28 1wq2 s LYS 19 CO 0.00 -1.01 1.77 0.66 0.10 0.00 0.00 175.35 176.87 1wq2 h SER 20 N -0.00 0.77 -4.55 0.03 4.64 -1.96 -3.45 113.55 109.02 1wq2 h SER 20 Ca -0.31 -0.12 -0.32 0.00 -0.47 0.00 0.00 61.79 60.57 1wq2 h SER 20 Cb 1.28 -0.20 -0.23 0.00 -0.31 0.00 0.00 62.40 62.95 1wq2 h SER 20 CO 0.40 0.67 -0.75 -1.59 -0.87 0.00 0.00 176.83 174.70 1wq2 s LYS 21 N -5.76 0.60 0.17 4.77 -2.85 -1.26 -3.98 119.74 111.43 1wq2 s LYS 21 Ca -0.13 -0.70 0.06 0.00 -1.00 0.00 0.00 55.97 54.20 1wq2 s LYS 21 Cb 0.13 -0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 35.40 1wq2 s LYS 21 CO 0.78 0.10 -0.13 -0.06 0.10 0.00 0.00 175.35 176.14 1wq2 s PHE 22 N -1.12 1.52 0.55 1.78 0.40 -0.28 -4.91 117.98 115.92 1wq2 s PHE 22 Ca -0.06 -0.62 -0.17 0.00 -0.60 0.00 0.00 56.93 55.48 1wq2 s PHE 22 Cb -0.09 -0.74 -0.06 0.00 0.51 0.00 0.00 43.02 42.64 1wq2 s PHE 22 CO 0.01 0.23 1.03 0.71 0.70 0.00 0.00 175.22 177.90 1wq2 s TYR 23 N -2.87 3.13 0.38 0.36 1.51 -1.26 -0.77 117.35 117.83 1wq2 s TYR 23 Ca 0.18 1.51 0.14 0.00 -1.01 0.00 0.00 57.07 57.89 1wq2 s TYR 23 Cb -0.01 -2.95 0.98 0.00 -0.11 0.00 0.00 41.96 39.86 1wq2 s TYR 23 CO 0.04 -0.83 1.83 0.35 -1.11 0.00 0.00 175.55 175.83 1wq2 h PHE 24 N 0.80 0.70 0.00 2.71 3.57 -1.81 -0.03 116.94 122.88 1wq2 h PHE 24 Ca -0.47 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1wq2 h PHE 24 Cb 1.21 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1wq2 h PHE 24 CO 0.60 0.18 0.00 -0.91 -2.23 0.00 0.00 178.31 175.95 1wq2 h ASN 25 N 0.52 0.00 0.64 0.41 4.21 -1.92 -2.62 115.58 116.83 1wq2 h ASN 25 Ca 0.50 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.91 1wq2 h ASN 25 Cb 1.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 1wq2 h ASN 25 CO -0.23 0.00 -0.46 0.44 -1.29 0.00 0.00 177.43 175.89 1wq2 h ASP 26 N 0.00 0.00 0.23 5.81 3.32 -1.36 -2.31 116.42 122.11 1wq2 h ASP 26 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1wq2 h ASP 26 Cb 0.60 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.18 1wq2 h ASP 26 CO 0.00 0.46 -1.57 -0.26 -1.72 0.00 0.00 179.24 176.15 1wq2 h PHE 27 N 0.00 0.87 0.00 4.55 -1.00 -1.48 -3.11 116.94 116.77 1wq2 h PHE 27 Ca -0.00 -0.64 -0.03 0.00 2.81 0.00 0.00 57.97 60.11 1wq2 h PHE 27 Cb 0.90 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.42 1wq2 h PHE 27 CO 0.00 1.60 -0.14 1.79 -1.61 0.00 0.00 178.31 179.96 1wq2 h THR 28 N 0.11 0.49 -0.33 -1.55 1.35 -1.48 -1.09 112.91 110.41 1wq2 h THR 28 Ca -0.29 -0.68 -0.10 0.00 -0.55 0.00 0.00 66.41 64.79 1wq2 h THR 28 Cb 2.13 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 70.00 1wq2 h THR 28 CO 0.23 0.13 -0.21 0.44 -0.25 0.00 0.00 175.52 175.86 1wq2 h ASP 29 N 0.00 0.64 1.28 5.36 3.32 -1.45 -3.07 116.42 122.50 1wq2 h ASP 29 Ca -0.00 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.72 1wq2 h ASP 29 Cb 0.45 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1wq2 h ASP 29 CO 0.02 0.85 -0.53 -0.07 -1.72 0.00 0.00 179.24 177.79 1wq2 h LEU 30 N 0.57 0.00 -6.56 1.55 3.38 -1.16 -3.36 115.31 109.73 1wq2 h LEU 30 Ca 0.08 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.45 1wq2 h LEU 30 Cb 0.68 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.01 1wq2 h LEU 30 CO 0.05 0.53 -0.58 0.49 0.09 0.00 0.00 178.44 179.02 1wq2 n PHE 31 N -3.31 3.50 0.24 1.13 3.01 -0.72 -4.90 117.46 116.41 1wq2 n PHE 31 Ca 0.01 -4.22 0.10 0.00 1.01 0.00 0.00 57.45 54.35 1wq2 n PHE 31 Cb 0.71 -0.59 0.63 0.00 -0.01 0.00 0.00 39.48 40.22 1wq2 n PHE 31 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1wq2 h PRO 32 N 4.67 0.00 -0.02 -1.08 0.13 -1.72 -2.84 132.00 131.13 1wq2 h PRO 32 Ca 0.18 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.06 1wq2 h PRO 32 Cb 0.70 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.84 1wq2 h PRO 32 CO 0.79 0.17 -0.97 0.38 -0.23 0.00 0.00 178.00 178.14 1wq2 h ASP 33 N 0.00 0.79 -4.13 1.44 2.03 -1.90 -3.46 116.42 111.20 1wq2 h ASP 33 Ca -0.00 -0.61 -0.50 0.00 -0.73 0.00 0.00 57.03 55.18 1wq2 h ASP 33 Cb 0.43 -0.24 0.07 0.00 -0.83 0.00 0.00 39.33 38.77 1wq2 h ASP 33 CO 0.02 1.41 0.41 -0.04 -1.03 0.00 0.00 179.24 180.01 1wq2 s MET 34 N -3.37 3.25 0.49 4.15 1.00 -1.07 -5.03 119.30 118.72 1wq2 s MET 34 Ca -0.09 1.49 -0.19 0.00 0.00 0.00 0.00 55.69 56.90 1wq2 s MET 34 Cb 0.08 -2.00 -0.08 0.00 0.00 0.00 0.00 34.83 32.82 1wq2 s MET 34 CO 0.90 -0.90 1.01 0.15 0.00 0.00 0.00 175.02 176.18 1wq2 s LYS 35 N -3.57 3.84 0.31 2.03 -0.14 -1.26 -4.91 119.74 116.04 1wq2 s LYS 35 Ca 0.70 1.22 -0.01 0.00 -1.36 0.00 0.00 55.97 56.52 1wq2 s LYS 35 Cb -0.21 -2.11 0.50 0.00 -1.68 0.00 0.00 37.83 34.33 1wq2 s LYS 35 CO 0.31 -0.38 1.97 1.96 -0.76 0.00 0.00 175.35 178.45 1wq2 h GLN 36 N 1.37 1.02 -0.64 1.68 4.20 -1.95 -1.06 115.11 119.72 1wq2 h GLN 36 Ca -0.49 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.10 1wq2 h GLN 36 Cb 1.21 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.73 1wq2 h GLN 36 CO 0.60 0.67 0.14 0.00 -0.67 0.00 0.00 178.83 179.57 1wq2 h ARG 37 N 1.05 1.02 -0.04 1.46 3.08 -1.99 -1.57 114.38 117.39 1wq2 h ARG 37 Ca 0.30 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 1wq2 h ARG 37 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1wq2 h ARG 37 CO -0.07 0.91 -0.65 1.49 -1.07 0.00 0.00 179.97 180.58 1wq2 h GLU 38 N 0.97 0.16 -0.16 0.04 4.57 -1.74 -0.95 114.58 117.47 1wq2 h GLU 38 Ca 0.20 -0.12 -0.19 0.00 -1.18 0.00 0.00 59.36 58.07 1wq2 h GLU 38 Cb 0.36 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1wq2 h GLU 38 CO 0.00 0.75 -0.67 0.28 -1.18 0.00 0.00 179.01 178.20 1wq2 h VAL 39 N 0.12 1.32 -0.37 0.32 2.07 -1.05 -2.19 116.25 116.46 1wq2 h VAL 39 Ca -0.01 -1.93 -0.10 0.00 0.82 0.00 0.00 66.70 65.47 1wq2 h VAL 39 Cb 1.16 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1wq2 h VAL 39 CO 0.10 0.60 -0.19 0.50 0.02 0.00 0.00 177.57 178.60 1wq2 h LYS 40 N 0.46 0.70 -0.07 1.57 1.63 -1.19 -2.42 116.57 117.25 1wq2 h LYS 40 Ca -0.02 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1wq2 h LYS 40 Cb 1.26 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1wq2 h LYS 40 CO 0.13 0.84 0.04 -0.22 -3.45 0.00 0.00 179.45 176.79 1wq2 h LYS 41 N 0.62 0.09 -0.26 1.90 1.63 -0.98 -1.12 116.57 118.45 1wq2 h LYS 41 Ca 0.09 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.75 1wq2 h LYS 41 Cb 0.66 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1wq2 h LYS 41 CO 0.05 0.10 -0.41 -0.84 -3.45 0.00 0.00 179.45 174.90 1wq2 h ILE 42 N 0.06 1.30 -0.30 2.00 3.07 -1.33 -1.97 117.51 120.34 1wq2 h ILE 42 Ca 0.02 -1.58 -0.11 0.00 1.55 0.00 0.00 64.86 64.74 1wq2 h ILE 42 Cb 0.03 1.54 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 1wq2 h ILE 42 CO -0.00 0.50 -0.28 -0.07 -1.05 0.00 0.00 178.15 177.24 1wq2 h LEU 43 N 0.51 0.62 -0.52 0.16 3.38 -1.38 -0.30 115.31 117.77 1wq2 h LEU 43 Ca 0.04 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 1wq2 h LEU 43 Cb 0.93 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1wq2 h LEU 43 CO 0.08 0.87 -0.54 0.74 0.09 0.00 0.00 178.44 179.69 1wq2 h THR 44 N 0.52 1.32 -0.50 0.22 2.02 -1.08 -1.99 112.91 113.43 1wq2 h THR 44 Ca 0.07 -1.78 -0.10 0.00 0.77 0.00 0.00 66.41 65.37 1wq2 h THR 44 Cb 0.76 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1wq2 h THR 44 CO 0.06 0.55 -0.08 0.00 0.37 0.00 0.00 175.52 176.42 1wq2 h ALA 45 N 0.97 0.68 -0.00 6.16 0.00 -1.06 -0.71 119.26 125.31 1wq2 h ALA 45 Ca 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1wq2 h ALA 45 Cb 1.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1wq2 h ALA 45 CO 0.10 0.56 -0.28 -0.07 0.00 0.00 0.00 179.25 179.56 1wq2 h LEU 46 N 0.79 0.00 -0.29 0.00 3.38 -0.92 -1.16 115.31 117.12 1wq2 h LEU 46 Ca 0.13 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1wq2 h LEU 46 Cb 0.63 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1wq2 h LEU 46 CO 0.04 0.29 -0.81 0.58 0.09 0.00 0.00 178.44 178.63 1wq2 h VAL 47 N 0.00 1.37 -0.28 1.22 2.07 -1.02 -1.16 116.25 118.45 1wq2 h VAL 47 Ca -0.00 -2.22 -0.09 0.00 0.82 0.00 0.00 66.70 65.20 1wq2 h VAL 47 Cb 0.50 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1wq2 h VAL 47 CO 0.04 0.67 -0.20 0.78 0.02 0.00 0.00 177.57 178.87 1wq2 h ASN 48 N 0.30 0.51 -0.15 0.57 2.35 -0.35 -2.30 115.58 116.50 1wq2 h ASN 48 Ca -0.05 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1wq2 h ASN 48 Cb 1.41 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1wq2 h ASN 48 CO 0.14 0.72 0.00 0.47 -1.65 0.00 0.00 177.43 177.11 1wq2 n ASP 49 N -4.15 1.41 -1.31 5.81 10.43 -0.51 -4.92 116.55 123.32 1wq2 n ASP 49 Ca 0.00 -1.69 -0.15 0.00 2.57 0.00 0.00 54.79 55.52 1wq2 n ASP 49 Cb 0.38 -0.10 -0.05 0.00 1.84 0.00 0.00 41.12 43.19 1wq2 n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1wq2 n GLU 50 N 0.16 -1.10 0.10 -1.24 1.02 -0.86 -4.89 120.64 113.83 1wq2 n GLU 50 Ca 0.15 0.96 -0.21 0.00 -0.02 0.00 0.00 57.16 58.05 1wq2 n GLU 50 Cb 0.28 -5.16 -0.12 0.00 -0.02 0.00 0.00 31.44 26.42 1wq2 n GLU 50 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wq2 h VAL 51 N 0.00 1.32 -3.13 2.62 2.07 -1.46 -3.43 116.25 114.23 1wq2 h VAL 51 Ca -0.32 -2.55 -0.64 0.00 0.82 0.00 0.00 66.70 64.00 1wq2 h VAL 51 Cb 1.06 2.72 -0.16 0.00 -1.52 0.00 0.00 31.29 33.39 1wq2 h VAL 51 CO 0.45 0.77 -0.77 -0.76 0.02 0.00 0.00 177.57 177.27 1wq2 s LEU 52 N -7.75 2.70 -0.04 2.57 1.43 -1.05 -1.73 118.68 114.82 1wq2 s LEU 52 Ca -0.08 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1wq2 s LEU 52 Cb 0.06 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1wq2 s LEU 52 CO 0.92 0.12 0.06 -1.83 0.23 0.00 0.00 176.35 175.85 1wq2 s GLU 53 N -2.71 3.07 -0.12 1.70 -1.05 1.00 -4.38 118.70 116.21 1wq2 s GLU 53 Ca 0.23 -0.42 -0.02 0.00 -0.15 0.00 0.00 54.97 54.60 1wq2 s GLU 53 Cb -0.08 -2.87 -0.03 0.00 -0.44 0.00 0.00 34.13 30.71 1wq2 s GLU 53 CO 0.12 0.68 -0.04 -0.47 0.95 0.00 0.00 175.26 176.50 1wq2 s TYR 54 N -1.08 3.01 -0.03 4.83 6.14 -1.26 -2.50 117.35 126.47 1wq2 s TYR 54 Ca 0.19 -0.13 0.03 0.00 0.64 0.00 0.00 57.07 57.80 1wq2 s TYR 54 Cb -0.12 -1.85 0.00 0.00 0.42 0.00 0.00 41.96 40.42 1wq2 s TYR 54 CO 0.09 0.16 -0.12 -1.58 0.64 0.00 0.00 175.55 174.74 1wq2 s TRP 55 N -0.22 1.18 -0.22 4.97 0.52 0.49 -4.99 118.94 120.67 1wq2 s TRP 55 Ca 0.04 -0.30 -0.18 0.00 0.02 0.00 0.00 56.10 55.67 1wq2 s TRP 55 Cb -0.13 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.35 1wq2 s TRP 55 CO 0.02 -0.11 0.52 0.45 0.02 0.00 0.00 176.95 177.86 1wq2 s SER 56 N 0.10 6.53 -0.15 2.95 0.15 -1.26 0.12 113.70 122.14 1wq2 s SER 56 Ca -0.02 0.64 -0.03 0.00 0.70 0.00 0.00 55.95 57.24 1wq2 s SER 56 Cb -0.09 -2.29 0.05 0.00 -1.71 0.00 0.00 66.02 61.98 1wq2 s SER 56 CO 0.01 -0.22 0.03 -0.55 1.20 0.00 0.00 173.24 173.71 1wq2 s SER 57 N 1.28 2.38 1.81 5.45 0.15 0.35 -4.90 113.70 120.22 1wq2 s SER 57 Ca 0.23 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1wq2 s SER 57 Cb -0.15 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1wq2 s SER 57 CO 0.09 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1wq2 n GLY 58 N 5.12 3.32 0.62 9.45 0.00 -1.26 -1.08 105.19 121.35 1wq2 n GLY 58 Ca -0.08 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1wq2 n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wq2 n SER 59 N 6.52 1.94 -0.03 1.61 3.41 -1.26 -4.97 113.62 120.84 1wq2 n SER 59 Ca 0.00 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 1wq2 n SER 59 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1wq2 n SER 59 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1wq2 n THR 60 N 0.51 0.00 -4.36 6.66 5.66 -0.24 -5.18 114.28 117.33 1wq2 n THR 60 Ca 0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.98 1wq2 n THR 60 Cb 0.42 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.10 1wq2 n THR 60 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wq2 s THR 61 N 0.10 1.85 0.01 1.09 -4.23 -1.26 -0.50 115.64 112.70 1wq2 s THR 61 Ca 0.00 -2.18 0.05 0.00 -1.18 0.00 0.00 61.69 58.38 1wq2 s THR 61 Cb 0.00 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 1wq2 s THR 61 CO 0.00 -0.52 -0.14 -0.32 -0.54 0.00 0.00 174.62 173.10 1wq2 s MET 62 N -3.47 1.06 0.03 3.99 1.75 0.33 -2.16 119.30 120.83 1wq2 s MET 62 Ca 0.22 -0.63 0.03 0.00 -1.25 0.00 0.00 55.69 54.07 1wq2 s MET 62 Cb -0.02 -1.05 -0.02 0.00 2.84 0.00 0.00 34.83 36.58 1wq2 s MET 62 CO 0.08 0.28 -0.09 0.71 -0.65 0.00 0.00 175.02 175.34 1wq2 s TYR 63 N -0.56 0.83 0.12 4.11 1.51 0.05 -0.38 117.35 123.02 1wq2 s TYR 63 Ca 0.04 -0.33 -0.24 0.00 -1.01 0.00 0.00 57.07 55.52 1wq2 s TYR 63 Cb -0.07 -0.50 0.08 0.00 -0.11 0.00 0.00 41.96 41.36 1wq2 s TYR 63 CO 0.00 -0.02 0.69 0.20 -1.11 0.00 0.00 175.55 175.32 1wq2 s GLY 64 N -1.00 -0.54 0.19 0.71 0.00 -1.04 -1.12 107.32 104.52 1wq2 s GLY 64 Ca -0.02 0.58 -0.33 0.00 0.00 0.00 0.00 44.72 44.95 1wq2 s GLY 64 CO 0.01 0.19 1.48 1.04 0.00 0.00 0.00 173.10 175.82 1wq2 n LEU 65 N -0.35 3.00 -4.67 0.66 4.77 -1.26 -0.00 117.00 119.15 1wq2 n LEU 65 Ca -0.14 1.11 -0.50 0.00 -0.03 0.00 0.00 56.01 56.45 1wq2 n LEU 65 Cb 0.64 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.26 1wq2 n LEU 65 CO 0.12 -0.44 1.32 1.17 -1.33 0.00 0.00 177.39 178.23 1wq2 n LYS 66 N 2.71 1.82 0.00 3.23 3.00 -0.70 -0.48 118.16 127.74 1wq2 n LYS 66 Ca 0.15 0.67 0.00 0.00 -0.00 0.00 0.00 58.31 59.12 1wq2 n LYS 66 Cb 0.29 -2.43 0.00 0.00 0.00 0.00 0.00 35.03 32.89 1wq2 n LYS 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wq2 n GLY 67 N 3.92 2.78 0.00 3.14 0.00 -1.26 -4.99 105.19 108.78 1wq2 n GLY 67 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1wq2 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32