#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4k h MET 1 N 0.00 0.02 -7.00 -1.46 2.86 -1.98 -3.47 114.93 103.90 2x4k h MET 1 Ca 0.00 -0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.05 2x4k h MET 1 Cb 0.00 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2x4k h MET 1 CO 0.00 0.01 -0.98 -0.12 1.06 0.00 0.00 176.91 176.88 2x4k n MET 2 N -5.12 -0.22 -2.07 1.72 1.56 -1.26 -4.89 117.12 106.84 2x4k n MET 2 Ca -0.05 0.03 -0.41 0.00 -0.27 0.00 0.00 57.70 57.00 2x4k n MET 2 Cb 0.06 -2.33 -0.02 0.00 2.15 0.00 0.00 33.22 33.08 2x4k n MET 2 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2x4k s PRO 3 N -7.44 4.31 -0.18 2.12 0.02 -1.10 -4.92 135.00 127.80 2x4k s PRO 3 Ca 0.47 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.75 2x4k s PRO 3 Cb -0.27 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.19 2x4k s PRO 3 CO 0.95 -0.32 -0.14 0.42 -0.33 0.00 0.00 177.00 177.58 2x4k s ILE 4 N -0.47 1.76 -0.19 2.83 1.01 -1.26 -0.99 121.20 123.90 2x4k s ILE 4 Ca 0.55 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 2x4k s ILE 4 Cb -0.41 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 2x4k s ILE 4 CO 0.47 0.32 -0.03 -0.69 0.00 0.00 0.00 174.94 175.01 2x4k s VAL 5 N 1.37 3.69 -0.16 2.92 1.01 0.40 -4.99 120.40 124.63 2x4k s VAL 5 Ca 0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 2x4k s VAL 5 Cb -0.15 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2x4k s VAL 5 CO -0.10 0.45 0.00 0.21 0.00 0.00 0.00 175.10 175.67 2x4k s ASN 6 N 0.89 5.14 -0.22 3.32 2.47 -1.26 -0.46 114.94 124.81 2x4k s ASN 6 Ca -0.00 -0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.26 2x4k s ASN 6 Cb -0.15 -1.84 0.04 0.00 -1.45 0.00 0.00 41.25 37.86 2x4k s ASN 6 CO 0.01 0.18 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.76 2x4k s VAL 7 N 0.31 1.94 -0.19 -5.21 1.01 0.27 -4.96 120.40 113.57 2x4k s VAL 7 Ca -0.01 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.56 2x4k s VAL 7 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2x4k s VAL 7 CO 0.02 0.17 0.44 -0.54 0.00 0.00 0.00 175.10 175.19 2x4k s LYS 8 N 1.26 4.21 0.08 2.72 1.02 -1.26 -0.42 119.74 127.34 2x4k s LYS 8 Ca -0.03 0.30 -0.18 0.00 0.02 0.00 0.00 55.97 56.08 2x4k s LYS 8 Cb -0.17 -3.52 0.04 0.00 -0.52 0.00 0.00 37.83 33.65 2x4k s LYS 8 CO -0.08 -0.03 0.43 -0.48 -0.92 0.00 0.00 175.35 174.27 2x4k s LEU 9 N 1.27 0.29 0.18 3.17 2.34 -0.66 -4.95 118.68 120.31 2x4k s LEU 9 Ca 0.21 -0.10 -0.33 0.00 0.06 0.00 0.00 54.13 53.97 2x4k s LEU 9 Cb -0.15 1.88 -0.14 0.00 -0.56 0.00 0.00 46.19 47.22 2x4k s LEU 9 CO 0.09 -0.76 1.46 -0.11 -1.06 0.00 0.00 176.35 175.97 2x4k n LEU 10 N 0.16 2.81 -4.67 1.48 7.94 -1.26 -0.47 117.00 122.99 2x4k n LEU 10 Ca -0.17 1.11 -0.41 0.00 -1.11 0.00 0.00 56.01 55.43 2x4k n LEU 10 Cb 0.62 -1.38 0.02 0.00 0.53 0.00 0.00 43.42 43.20 2x4k n LEU 10 CO 0.19 -0.52 0.79 1.21 -1.11 0.00 0.00 177.39 177.95 2x4k n GLU 11 N 2.73 1.68 0.00 1.96 2.13 0.04 -4.35 120.64 124.84 2x4k n GLU 11 Ca 0.15 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.58 2x4k n GLU 11 Cb 0.28 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.70 2x4k n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x4k n GLY 12 N 0.94 0.45 3.82 8.31 0.00 -1.26 -4.95 105.19 112.50 2x4k n GLY 12 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2x4k n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x4k s ARG 13 N 0.00 3.95 0.73 1.61 1.81 -1.26 -5.05 118.95 120.73 2x4k s ARG 13 Ca 0.00 1.16 -0.11 0.00 -1.72 0.00 0.00 55.73 55.06 2x4k s ARG 13 Cb 0.00 -2.13 0.03 0.00 -0.45 0.00 0.00 34.95 32.40 2x4k s ARG 13 CO 0.00 -0.28 1.07 -1.54 -0.68 0.00 0.00 175.30 173.87 2x4k s SER 14 N -2.40 5.03 0.45 0.23 1.04 -1.26 -4.88 113.70 111.92 2x4k s SER 14 Ca 0.63 1.61 0.14 0.00 0.48 0.00 0.00 55.95 58.81 2x4k s SER 14 Cb -0.12 -2.43 1.07 0.00 0.10 0.00 0.00 66.02 64.64 2x4k s SER 14 CO 0.22 -1.66 2.03 0.44 0.98 0.00 0.00 173.24 175.24 2x4k h ASP 15 N -0.87 0.29 -0.39 7.02 5.19 -1.98 -0.96 116.42 124.72 2x4k h ASP 15 Ca -0.44 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.88 2x4k h ASP 15 Cb 1.22 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 2x4k h ASP 15 CO 0.56 0.19 -0.10 -0.33 -3.12 0.00 0.00 179.24 176.44 2x4k h GLU 16 N 0.33 0.75 -0.80 3.56 3.07 -1.99 0.74 114.58 120.24 2x4k h GLU 16 Ca 0.20 -0.29 -0.04 0.00 -0.50 0.00 0.00 59.36 58.73 2x4k h GLU 16 Cb 0.35 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 2x4k h GLU 16 CO -0.04 0.89 0.34 1.96 -1.40 0.00 0.00 179.01 180.76 2x4k h GLN 17 N 0.56 1.18 -0.20 2.33 4.20 -1.75 -1.55 115.11 119.89 2x4k h GLN 17 Ca 0.10 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.47 2x4k h GLN 17 Cb 0.62 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2x4k h GLN 17 CO 0.04 0.94 -0.45 -0.07 -0.67 0.00 0.00 178.83 178.62 2x4k h LEU 18 N 1.16 0.53 -0.36 1.46 3.38 -0.91 0.70 115.31 121.26 2x4k h LEU 18 Ca 0.27 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2x4k h LEU 18 Cb 0.18 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2x4k h LEU 18 CO -0.03 0.90 0.13 0.50 0.09 0.00 0.00 178.44 180.04 2x4k h LYS 19 N 0.40 0.28 -0.71 1.13 3.64 -0.59 -0.87 116.57 119.85 2x4k h LYS 19 Ca 0.03 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2x4k h LYS 19 Cb 0.95 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2x4k h LYS 19 CO 0.08 0.18 0.20 -0.91 -2.27 0.00 0.00 179.45 176.74 2x4k h ASN 20 N 0.29 1.06 -0.44 4.20 2.35 -0.98 -1.78 115.58 120.27 2x4k h ASN 20 Ca 0.16 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2x4k h ASN 20 Cb 0.14 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 2x4k h ASN 20 CO -0.16 1.00 0.24 0.25 -1.65 0.00 0.00 177.43 177.10 2x4k h LEU 21 N 1.06 0.36 -0.25 1.61 5.85 -0.42 0.80 115.31 124.32 2x4k h LEU 21 Ca 0.23 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.97 2x4k h LEU 21 Cb 0.34 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2x4k h LEU 21 CO -0.00 0.26 0.14 0.58 -0.34 0.00 0.00 178.44 179.08 2x4k h VAL 22 N 0.48 1.02 -0.40 1.05 2.07 -0.94 -0.21 116.25 119.32 2x4k h VAL 22 Ca 0.18 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2x4k h VAL 22 Cb 0.06 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2x4k h VAL 22 CO -0.11 0.05 0.23 0.28 0.02 0.00 0.00 177.57 178.04 2x4k h SER 23 N 0.30 0.49 0.37 0.57 0.02 -0.93 -1.82 113.55 112.55 2x4k h SER 23 Ca 0.10 -0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 60.75 2x4k h SER 23 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2x4k h SER 23 CO -0.05 0.42 -0.98 -0.33 -1.14 0.00 0.00 176.83 174.75 2x4k h GLU 24 N 0.52 0.39 -0.78 3.45 4.39 -0.68 -0.43 114.58 121.44 2x4k h GLU 24 Ca 0.14 -0.45 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 2x4k h GLU 24 Cb 0.03 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2x4k h GLU 24 CO -0.02 1.12 0.30 0.28 -1.16 0.00 0.00 179.01 179.52 2x4k h VAL 25 N 0.21 1.26 -0.34 3.13 2.07 -1.04 -0.82 116.25 120.73 2x4k h VAL 25 Ca -0.09 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 2x4k h VAL 25 Cb 1.62 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2x4k h VAL 25 CO 0.17 0.34 0.18 0.74 0.02 0.00 0.00 177.57 179.02 2x4k h THR 26 N 1.14 1.14 -0.64 2.57 2.02 -1.12 -1.13 112.91 116.89 2x4k h THR 26 Ca 0.26 -0.38 0.07 0.00 0.77 0.00 0.00 66.41 67.13 2x4k h THR 26 Cb 0.24 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 2x4k h THR 26 CO -0.02 0.15 0.31 0.44 0.37 0.00 0.00 175.52 176.77 2x4k h ASP 27 N 0.42 0.42 -0.44 4.18 3.32 -0.81 -0.54 116.42 122.96 2x4k h ASP 27 Ca 0.12 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2x4k h ASP 27 Cb 0.07 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2x4k h ASP 27 CO -0.02 0.26 0.15 0.00 -1.72 0.00 0.00 179.24 177.92 2x4k h ALA 28 N 1.37 0.58 -0.33 3.45 0.00 -0.70 -0.86 119.26 122.78 2x4k h ALA 28 Ca 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2x4k h ALA 28 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2x4k h ALA 28 CO -0.23 0.21 0.07 0.28 0.00 0.00 0.00 179.25 179.58 2x4k h VAL 29 N 0.58 1.23 -0.42 0.00 2.07 -0.91 -2.31 116.25 116.48 2x4k h VAL 29 Ca 0.15 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2x4k h VAL 29 Cb 0.24 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2x4k h VAL 29 CO -0.01 0.26 0.27 -0.08 0.02 0.00 0.00 177.57 178.03 2x4k h GLU 30 N 0.37 0.55 -0.23 1.57 4.81 -0.94 -2.07 114.58 118.65 2x4k h GLU 30 Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2x4k h GLU 30 Cb 0.32 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2x4k h GLU 30 CO 0.00 0.38 0.11 -0.22 -0.73 0.00 0.00 179.01 178.55 2x4k h LYS 31 N 0.56 0.33 0.00 1.92 3.64 -1.11 -1.91 116.57 120.00 2x4k h LYS 31 Ca 0.15 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2x4k h LYS 31 Cb -0.05 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2x4k h LYS 31 CO -0.03 0.35 -0.97 1.79 -2.27 0.00 0.00 179.45 178.32 2x4k h THR 32 N 0.24 0.20 0.00 1.00 1.35 -1.33 -3.37 112.91 111.00 2x4k h THR 32 Ca 0.08 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2x4k h THR 32 Cb 0.13 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2x4k h THR 32 CO -0.01 0.11 -1.23 0.35 -0.25 0.00 0.00 175.52 174.49 2x4k n THR 33 N -2.82 0.00 -0.97 6.82 -2.24 -0.79 -5.02 114.28 109.27 2x4k n THR 33 Ca -0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2x4k n THR 33 Cb 0.64 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 2x4k n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x4k n GLY 34 N 2.11 0.60 3.77 3.38 0.00 -0.72 -5.02 105.19 109.30 2x4k n GLY 34 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2x4k n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x4k s ALA 35 N -2.33 3.45 0.21 4.61 0.00 -1.26 -4.93 121.76 121.52 2x4k s ALA 35 Ca 0.00 1.53 -0.32 0.00 0.00 0.00 0.00 51.96 53.17 2x4k s ALA 35 Cb 0.00 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.40 2x4k s ALA 35 CO 0.00 -1.10 1.70 -1.71 0.00 0.00 0.00 175.76 174.65 2x4k n ASN 36 N 0.22 3.91 -0.30 0.00 2.85 -1.26 -4.64 115.26 116.04 2x4k n ASN 36 Ca 0.02 1.07 0.08 0.00 -0.11 0.00 0.00 54.58 55.64 2x4k n ASN 36 Cb 0.40 -1.56 0.29 0.00 1.24 0.00 0.00 39.78 40.15 2x4k n ASN 36 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2x4k h ARG 37 N 6.59 0.87 0.00 1.20 2.43 -1.97 -1.13 114.38 122.37 2x4k h ARG 37 Ca -0.43 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2x4k h ARG 37 Cb 1.21 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2x4k h ARG 37 CO 0.94 0.57 0.00 1.96 -1.51 0.00 0.00 179.97 181.94 2x4k h GLN 38 N 0.89 0.00 -0.36 0.20 1.08 -2.03 -2.17 115.11 112.72 2x4k h GLN 38 Ca 0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 2x4k h GLN 38 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2x4k h GLN 38 CO -0.20 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.68 2x4k n ALA 39 N -1.85 2.40 -2.64 3.87 0.00 -0.43 -4.94 120.51 116.92 2x4k n ALA 39 Ca 0.00 -0.98 -0.37 0.00 0.00 0.00 0.00 53.44 52.09 2x4k n ALA 39 Cb 0.15 -0.78 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 2x4k n ALA 39 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x4k s ILE 40 N -1.37 5.33 -0.03 0.00 1.01 -0.82 -2.73 121.20 122.60 2x4k s ILE 40 Ca 0.35 0.22 0.07 0.00 0.00 0.00 0.00 60.65 61.28 2x4k s ILE 40 Cb 0.20 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 2x4k s ILE 40 CO 0.28 0.31 -0.22 -1.00 0.00 0.00 0.00 174.94 174.31 2x4k s HIS 41 N 1.25 2.44 -0.06 3.97 3.76 -0.16 -5.01 115.29 121.49 2x4k s HIS 41 Ca 0.08 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 2x4k s HIS 41 Cb -0.14 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.02 2x4k s HIS 41 CO 0.06 0.02 -0.10 0.08 -0.85 0.00 0.00 174.74 173.95 2x4k s VAL 42 N -0.63 0.97 -0.09 -0.90 1.01 -1.26 -0.46 120.40 119.04 2x4k s VAL 42 Ca 0.10 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2x4k s VAL 42 Cb -0.10 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.38 2x4k s VAL 42 CO -0.00 0.32 -0.18 -0.69 0.00 0.00 0.00 175.10 174.54 2x4k s VAL 43 N 0.67 1.64 -0.22 2.92 1.01 0.39 -4.97 120.40 121.84 2x4k s VAL 43 Ca -0.13 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 2x4k s VAL 43 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2x4k s VAL 43 CO 0.03 0.47 0.05 -0.63 0.00 0.00 0.00 175.10 175.01 2x4k s ILE 44 N 0.56 4.32 -0.19 2.22 1.01 -1.26 -0.57 121.20 127.28 2x4k s ILE 44 Ca -0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2x4k s ILE 44 Cb -0.17 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 2x4k s ILE 44 CO 0.05 0.39 -0.06 -1.61 0.00 0.00 0.00 174.94 173.71 2x4k s GLU 45 N 1.19 3.42 -0.20 2.79 2.02 0.44 -4.96 118.70 123.40 2x4k s GLU 45 Ca 0.04 -0.62 -0.19 0.00 0.02 0.00 0.00 54.97 54.23 2x4k s GLU 45 Cb -0.14 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 2x4k s GLU 45 CO 0.03 -0.06 0.53 -1.21 0.02 0.00 0.00 175.26 174.56 2x4k s GLU 46 N 1.12 4.18 0.25 1.61 2.02 -1.26 -1.66 118.70 124.97 2x4k s GLU 46 Ca 0.01 0.42 -0.24 0.00 0.02 0.00 0.00 54.97 55.19 2x4k s GLU 46 Cb -0.15 -3.57 -0.09 0.00 0.10 0.00 0.00 34.13 30.43 2x4k s GLU 46 CO -0.01 -0.17 0.84 -1.64 0.02 0.00 0.00 175.26 174.30 2x4k s MET 47 N 1.71 4.48 0.26 1.61 -1.94 0.38 -4.76 119.30 121.04 2x4k s MET 47 Ca 0.24 1.15 -0.14 0.00 -1.71 0.00 0.00 55.69 55.23 2x4k s MET 47 Cb -0.15 -2.94 -0.08 0.00 2.01 0.00 0.00 34.83 33.66 2x4k s MET 47 CO 0.10 0.39 0.65 0.15 -0.01 0.00 0.00 175.02 176.30 2x4k s LYS 48 N -1.81 3.97 0.36 2.03 1.02 -1.26 -0.78 119.74 123.26 2x4k s LYS 48 Ca 0.44 0.55 -0.26 0.00 0.02 0.00 0.00 55.97 56.72 2x4k s LYS 48 Cb -0.19 -2.62 -0.12 0.00 -0.52 0.00 0.00 37.83 34.38 2x4k s LYS 48 CO 0.24 0.28 1.03 -2.30 -0.92 0.00 0.00 175.35 173.68 2x4k n PRO 49 N -0.01 1.43 -0.97 -1.68 -0.02 -1.26 -1.85 135.00 130.64 2x4k n PRO 49 Ca 0.01 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2x4k n PRO 49 Cb 0.52 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2x4k n PRO 49 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2x4k n ASN 50 N 0.85 -3.36 -0.86 2.55 3.02 -1.26 -4.86 115.26 111.34 2x4k n ASN 50 Ca 0.09 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.71 2x4k n ASN 50 Cb 0.36 -1.49 0.23 0.00 -0.61 0.00 0.00 39.78 38.26 2x4k n ASN 50 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2x4k n HIS 51 N -2.51 0.81 -3.76 3.10 8.25 -0.77 -5.01 115.22 115.32 2x4k n HIS 51 Ca 0.00 -0.69 -0.09 0.00 -0.26 0.00 0.00 57.72 56.68 2x4k n HIS 51 Cb 0.15 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 2x4k n HIS 51 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 2x4k s TYR 52 N -1.96 -0.19 0.10 4.41 -0.85 -1.26 -4.90 117.35 112.71 2x4k s TYR 52 Ca 0.35 -0.19 -0.26 0.00 -0.52 0.00 0.00 57.07 56.45 2x4k s TYR 52 Cb 0.25 0.56 0.09 0.00 0.38 0.00 0.00 41.96 43.23 2x4k s TYR 52 CO 0.13 -1.07 1.10 0.20 -1.52 0.00 0.00 175.55 174.39 2x4k s GLY 53 N -2.89 -0.21 0.02 5.49 0.00 -1.26 -4.29 107.32 104.18 2x4k s GLY 53 Ca 0.10 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.02 2x4k s GLY 53 CO 0.01 0.90 -0.05 0.54 0.00 0.00 0.00 173.10 174.50 2x4k s VAL 54 N -2.72 0.36 -1.71 1.40 0.11 -0.80 -4.82 120.40 112.22 2x4k s VAL 54 Ca 0.16 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2x4k s VAL 54 Cb 0.00 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 2x4k s VAL 54 CO 0.01 -0.15 0.00 0.00 -3.33 0.00 0.00 175.10 171.63 2x4k n ALA 55 N 2.28 -0.35 -1.00 1.54 0.00 -1.26 -2.47 120.51 119.25 2x4k n ALA 55 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2x4k n ALA 55 Cb 0.57 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2x4k n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x4k n GLY 56 N -0.91 0.77 3.34 0.00 0.00 -1.26 -5.02 105.19 102.11 2x4k n GLY 56 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2x4k n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x4k s VAL 57 N -3.06 1.98 -1.41 1.61 -7.23 -1.03 -5.05 120.40 106.21 2x4k s VAL 57 Ca 0.00 -1.77 -0.14 0.00 -1.81 0.00 0.00 61.98 58.26 2x4k s VAL 57 Cb 0.00 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2x4k s VAL 57 CO 0.00 -0.09 2.27 0.54 -0.31 0.00 0.00 175.10 177.50 2x4k n ARG 58 N 0.72 2.80 -4.00 4.82 1.74 -1.26 -1.90 116.66 119.58 2x4k n ARG 58 Ca -0.16 -2.49 -0.09 0.00 -0.77 0.00 0.00 57.85 54.34 2x4k n ARG 58 Cb 0.55 -3.21 -0.08 0.00 -1.02 0.00 0.00 32.46 28.70 2x4k n ARG 58 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2x4k s LYS 59 N 3.27 1.03 0.86 5.56 1.02 -1.26 -4.94 119.74 125.28 2x4k s LYS 59 Ca 0.50 -1.21 -0.09 0.00 0.02 0.00 0.00 55.97 55.19 2x4k s LYS 59 Cb 0.14 0.33 0.18 0.00 -0.52 0.00 0.00 37.83 37.96 2x4k s LYS 59 CO -0.07 -0.34 1.18 0.45 -0.92 0.00 0.00 175.35 175.65 2x4k s SER 60 N -2.97 3.56 0.00 2.83 0.15 -1.26 -2.42 113.70 113.60 2x4k s SER 60 Ca 0.17 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.74 2x4k s SER 60 Cb 0.05 -0.02 0.29 0.00 -1.71 0.00 0.00 66.02 64.63 2x4k s SER 60 CO -0.02 -2.41 0.77 0.47 1.20 0.00 0.00 173.24 173.25