#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 0.00 -6.85 -1.46 2.07 -1.98 -3.48 114.93 103.24 2x4k h MET 1 Ca 0.00 0.00 -0.24 0.00 -2.07 0.00 0.00 59.70 57.39 2x4k h MET 1 Cb 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 2x4k h MET 1 CO 0.00 0.46 -0.44 -0.12 1.07 0.00 0.00 176.91 177.88 2x4k n MET 2 N -3.94 -0.68 -2.06 1.72 0.00 -1.26 -4.86 117.12 106.04 2x4k n MET 2 Ca -0.02 -0.13 -0.41 0.00 -0.00 0.00 0.00 57.70 57.15 2x4k n MET 2 Cb 0.49 -0.58 -0.02 0.00 0.00 0.00 0.00 33.22 33.10 2x4k n MET 2 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2x4k s PRO 3 N -5.30 4.30 -0.19 2.12 0.02 -1.06 -4.92 135.00 129.97 2x4k s PRO 3 Ca 0.15 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.44 2x4k s PRO 3 Cb -0.09 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.37 2x4k s PRO 3 CO 0.40 -0.34 -0.13 0.42 -0.33 0.00 0.00 177.00 177.02 2x4k s ILE 4 N -0.34 1.73 -0.13 2.83 1.01 -1.26 -1.14 121.20 123.90 2x4k s ILE 4 Ca 0.56 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2x4k s ILE 4 Cb -0.41 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 2x4k s ILE 4 CO 0.46 0.29 -0.05 -0.69 0.00 0.00 0.00 174.94 174.94 2x4k s VAL 5 N 1.38 3.78 -0.13 2.92 1.01 0.46 -4.99 120.40 124.82 2x4k s VAL 5 Ca 0.01 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2x4k s VAL 5 Cb -0.15 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2x4k s VAL 5 CO -0.09 0.52 -0.20 0.21 0.00 0.00 0.00 175.10 175.53 2x4k s ASN 6 N 0.08 3.27 -0.24 3.32 3.84 -1.26 -0.57 114.94 123.39 2x4k s ASN 6 Ca -0.01 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 52.51 2x4k s ASN 6 Cb -0.14 -1.47 0.04 0.00 -0.55 0.00 0.00 41.25 39.13 2x4k s ASN 6 CO 0.03 0.10 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.65 2x4k s VAL 7 N 0.69 2.48 -0.19 -5.21 1.01 0.33 -4.98 120.40 114.53 2x4k s VAL 7 Ca -0.10 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 2x4k s VAL 7 Cb -0.16 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2x4k s VAL 7 CO 0.01 0.17 0.25 -0.54 0.00 0.00 0.00 175.10 175.00 2x4k s LYS 8 N 1.24 4.19 0.23 2.72 1.02 -1.26 -0.39 119.74 127.50 2x4k s LYS 8 Ca -0.02 -0.02 -0.17 0.00 0.02 0.00 0.00 55.97 55.77 2x4k s LYS 8 Cb -0.17 -3.47 0.02 0.00 -0.52 0.00 0.00 37.83 33.69 2x4k s LYS 8 CO -0.06 0.16 0.56 -0.48 -0.92 0.00 0.00 175.35 174.61 2x4k s LEU 9 N 0.72 0.04 0.29 3.17 2.34 -0.78 -4.98 118.68 119.48 2x4k s LEU 9 Ca 0.13 -0.61 -0.30 0.00 0.06 0.00 0.00 54.13 53.41 2x4k s LEU 9 Cb -0.13 2.21 -0.12 0.00 -0.56 0.00 0.00 46.19 47.58 2x4k s LEU 9 CO 0.04 -1.15 1.46 -0.11 -1.06 0.00 0.00 176.35 175.53 2x4k n LEU 10 N -0.38 3.77 -4.63 1.48 7.94 -1.26 -0.32 117.00 123.60 2x4k n LEU 10 Ca -0.07 1.16 -0.30 0.00 -1.11 0.00 0.00 56.01 55.70 2x4k n LEU 10 Cb 0.61 -1.51 0.18 0.00 0.53 0.00 0.00 43.42 43.23 2x4k n LEU 10 CO 0.18 -0.20 0.63 -1.83 -1.11 0.00 0.00 177.39 175.05 2x4k s GLU 11 N -0.82 0.56 0.00 1.96 -1.05 0.07 -4.36 118.70 115.06 2x4k s GLU 11 Ca 0.63 1.12 0.00 0.00 -0.15 0.00 0.00 54.97 56.58 2x4k s GLU 11 Cb -0.57 -1.70 0.00 0.00 -0.44 0.00 0.00 34.13 31.42 2x4k s GLU 11 CO 0.52 -2.81 0.00 0.41 0.95 0.00 0.00 175.26 174.33 2x4k n GLY 12 N -0.04 0.95 3.77 -3.83 0.00 -1.26 -4.97 105.19 99.80 2x4k n GLY 12 Ca 0.08 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.70 3.73 0.71 1.61 3.00 -1.26 -5.01 118.95 121.03 2x4k s ARG 13 Ca 0.00 1.76 -0.12 0.00 0.00 0.00 0.00 55.73 57.37 2x4k s ARG 13 Cb 0.00 -2.38 0.02 0.00 0.00 0.00 0.00 34.95 32.59 2x4k s ARG 13 CO 0.00 -0.57 1.08 -1.54 0.00 0.00 0.00 175.30 174.27 2x4k s SER 14 N -1.39 5.03 0.32 0.23 1.04 -1.26 -4.89 113.70 112.79 2x4k s SER 14 Ca 0.64 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.85 2x4k s SER 14 Cb -0.28 -2.52 0.54 0.00 0.10 0.00 0.00 66.02 63.87 2x4k s SER 14 CO 0.34 -1.68 1.97 -0.78 0.98 0.00 0.00 173.24 174.07 2x4k h ASP 15 N -0.65 0.79 -0.41 7.02 3.58 -1.99 -1.83 116.42 122.93 2x4k h ASP 15 Ca -0.44 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 56.83 2x4k h ASP 15 Cb 1.22 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2x4k h ASP 15 CO 0.54 0.61 -0.28 -0.08 -2.88 0.00 0.00 179.24 177.15 2x4k h GLU 16 N 0.92 0.91 -0.74 0.28 4.57 -1.99 -0.05 114.58 118.49 2x4k h GLU 16 Ca 0.24 -0.44 0.03 0.00 -1.18 0.00 0.00 59.36 58.02 2x4k h GLU 16 Cb -0.04 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 2x4k h GLU 16 CO -0.05 1.09 0.47 1.96 -1.18 0.00 0.00 179.01 181.30 2x4k h GLN 17 N 0.74 0.89 -0.03 1.92 4.20 -1.82 -0.13 115.11 120.86 2x4k h GLN 17 Ca 0.08 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 2x4k h GLN 17 Cb 0.87 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2x4k h GLN 17 CO 0.08 0.59 -0.74 -0.07 -0.67 0.00 0.00 178.83 178.01 2x4k h LEU 18 N 0.91 0.27 -0.13 1.46 3.38 -1.18 0.60 115.31 120.61 2x4k h LEU 18 Ca 0.30 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2x4k h LEU 18 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2x4k h LEU 18 CO -0.11 0.91 0.09 0.50 0.09 0.00 0.00 178.44 179.92 2x4k h LYS 19 N 0.14 0.18 -0.51 1.13 3.64 -0.70 -1.90 116.57 118.55 2x4k h LYS 19 Ca -0.03 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 2x4k h LYS 19 Cb 1.31 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2x4k h LYS 19 CO 0.11 0.12 -0.16 -0.91 -2.27 0.00 0.00 179.45 176.35 2x4k h ASN 20 N 0.18 1.02 -0.33 4.20 2.35 -0.90 -2.26 115.58 119.84 2x4k h ASN 20 Ca 0.05 -0.36 0.04 0.00 -0.55 0.00 0.00 56.30 55.48 2x4k h ASN 20 Cb -0.02 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.04 2x4k h ASN 20 CO -0.01 1.15 0.11 0.25 -1.65 0.00 0.00 177.43 177.28 2x4k h LEU 21 N 0.88 0.11 -0.52 1.61 5.85 -0.79 0.11 115.31 122.57 2x4k h LEU 21 Ca 0.13 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2x4k h LEU 21 Cb 0.73 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2x4k h LEU 21 CO 0.06 0.10 0.31 0.58 -0.34 0.00 0.00 178.44 179.14 2x4k h VAL 22 N 0.25 1.16 -0.17 1.05 2.07 -1.17 -0.29 116.25 119.15 2x4k h VAL 22 Ca 0.15 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2x4k h VAL 22 Cb 0.13 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2x4k h VAL 22 CO -0.16 0.17 -0.05 -1.28 0.02 0.00 0.00 177.57 176.27 2x4k h SER 23 N 0.70 0.33 -0.02 0.57 0.87 -1.07 -2.44 113.55 112.49 2x4k h SER 23 Ca 0.19 -0.38 -0.18 0.00 -1.23 0.00 0.00 61.79 60.18 2x4k h SER 23 Cb 0.00 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2x4k h SER 23 CO -0.03 0.64 -0.64 -0.33 -0.53 0.00 0.00 176.83 175.94 2x4k h GLU 24 N 0.03 0.63 -0.53 2.24 4.39 -0.72 -0.96 114.58 119.66 2x4k h GLU 24 Ca 0.04 -0.45 -0.07 0.00 0.34 0.00 0.00 59.36 59.22 2x4k h GLU 24 Cb 0.50 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2x4k h GLU 24 CO 0.02 1.07 0.04 -0.24 -1.16 0.00 0.00 179.01 178.73 2x4k h VAL 25 N 0.46 1.25 -0.43 3.13 3.04 -1.12 -1.04 116.25 121.54 2x4k h VAL 25 Ca -0.01 -1.00 -0.01 0.00 -1.01 0.00 0.00 66.70 64.66 2x4k h VAL 25 Cb 1.22 0.80 -0.02 0.00 -2.01 0.00 0.00 31.29 31.28 2x4k h VAL 25 CO 0.12 0.36 0.22 0.74 -1.01 0.00 0.00 177.57 178.00 2x4k h THR 26 N 0.82 1.17 -0.52 3.17 2.02 -1.18 -1.25 112.91 117.14 2x4k h THR 26 Ca 0.16 -0.48 0.07 0.00 0.77 0.00 0.00 66.41 66.93 2x4k h THR 26 Cb 0.44 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 2x4k h THR 26 CO 0.02 0.19 0.19 0.44 0.37 0.00 0.00 175.52 176.73 2x4k h ASP 27 N 0.56 0.20 -0.34 4.18 3.32 -0.88 -0.52 116.42 122.94 2x4k h ASP 27 Ca 0.15 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2x4k h ASP 27 Cb 0.10 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2x4k h ASP 27 CO -0.02 0.14 0.20 0.00 -1.72 0.00 0.00 179.24 177.84 2x4k h ALA 28 N 1.35 0.44 -0.27 3.45 0.00 -0.81 -0.96 119.26 122.46 2x4k h ALA 28 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2x4k h ALA 28 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2x4k h ALA 28 CO -0.25 -0.05 0.10 0.28 0.00 0.00 0.00 179.25 179.33 2x4k h VAL 29 N 0.44 1.19 -0.11 0.00 2.07 -0.95 -2.65 116.25 116.24 2x4k h VAL 29 Ca 0.12 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2x4k h VAL 29 Cb 0.03 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2x4k h VAL 29 CO -0.02 0.20 0.04 -0.08 0.02 0.00 0.00 177.57 177.72 2x4k h GLU 30 N 0.28 0.09 0.00 1.57 4.81 -0.91 -2.01 114.58 118.41 2x4k h GLU 30 Ca 0.09 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 2x4k h GLU 30 Cb 0.21 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2x4k h GLU 30 CO -0.00 0.06 -0.60 1.57 -0.73 0.00 0.00 179.01 179.31 2x4k h LYS 31 N 0.09 0.00 0.00 1.92 2.10 -1.17 -0.92 116.57 118.59 2x4k h LYS 31 Ca 0.04 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.60 2x4k h LYS 31 Cb 0.02 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 2x4k h LYS 31 CO -0.04 0.60 -1.23 1.79 -2.00 0.00 0.00 179.45 178.57 2x4k h THR 32 N 0.00 0.28 0.00 0.07 1.35 -1.37 -3.38 112.91 109.86 2x4k h THR 32 Ca -0.01 -1.56 -0.02 0.00 -0.55 0.00 0.00 66.41 64.27 2x4k h THR 32 Cb 1.12 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 69.34 2x4k h THR 32 CO 0.08 0.16 -1.51 0.35 -0.25 0.00 0.00 175.52 174.35 2x4k n THR 33 N -2.80 0.07 -1.00 6.82 -2.24 -0.77 -5.01 114.28 109.35 2x4k n THR 33 Ca -0.05 -0.26 -0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2x4k n THR 33 Cb 0.71 0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.95 0.47 3.77 3.38 0.00 -0.35 -5.02 105.19 109.39 2x4k n GLY 34 Ca -0.03 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.95 3.21 0.24 4.61 0.00 -1.25 -4.95 121.76 121.67 2x4k s ALA 35 Ca 0.00 1.37 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 2x4k s ALA 35 Cb 0.00 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 2x4k s ALA 35 CO 0.00 -1.07 1.66 -0.80 0.00 0.00 0.00 175.76 175.55 2x4k s ASN 36 N -0.63 6.40 0.36 0.00 0.01 -1.26 -4.69 114.94 115.12 2x4k s ASN 36 Ca 0.60 2.87 0.04 0.00 -0.71 0.00 0.00 52.86 55.67 2x4k s ASN 36 Cb -0.41 -2.61 0.70 0.00 0.41 0.00 0.00 41.25 39.34 2x4k s ASN 36 CO 0.53 -0.93 1.98 -0.09 -1.51 0.00 0.00 177.10 177.08 2x4k h ARG 37 N 6.07 0.77 0.00 -0.60 2.43 -1.96 -1.23 114.38 119.85 2x4k h ARG 37 Ca -0.44 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2x4k h ARG 37 Cb 1.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2x4k h ARG 37 CO 0.89 0.51 0.00 0.00 -1.51 0.00 0.00 179.97 179.86 2x4k n GLN 38 N -4.46 0.13 -0.17 0.20 0.00 -1.26 -1.91 117.38 109.91 2x4k n GLN 38 Ca 0.09 0.43 0.12 0.00 0.00 0.00 0.00 57.00 57.64 2x4k n GLN 38 Cb 0.15 -1.78 0.21 0.00 0.00 0.00 0.00 30.24 28.81 2x4k n GLN 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2x4k n ALA 39 N -1.70 2.43 -2.75 2.61 0.00 -0.47 -4.92 120.51 115.72 2x4k n ALA 39 Ca 0.02 -0.96 -0.37 0.00 0.00 0.00 0.00 53.44 52.13 2x4k n ALA 39 Cb 0.16 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.55 5.02 -0.03 0.00 1.01 -0.80 -2.55 121.20 122.30 2x4k s ILE 40 Ca 0.38 0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.16 2x4k s ILE 40 Cb 0.23 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 2x4k s ILE 40 CO 0.32 0.32 -0.23 -1.00 0.00 0.00 0.00 174.94 174.35 2x4k s HIS 41 N 1.37 2.43 -0.05 3.97 3.76 -0.29 -5.01 115.29 121.48 2x4k s HIS 41 Ca 0.06 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.59 2x4k s HIS 41 Cb -0.15 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.01 2x4k s HIS 41 CO 0.06 -0.01 -0.11 0.08 -0.85 0.00 0.00 174.74 173.92 2x4k s VAL 42 N -0.58 0.98 -0.06 -0.90 1.01 -1.26 -0.41 120.40 119.18 2x4k s VAL 42 Ca 0.09 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2x4k s VAL 42 Cb -0.11 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2x4k s VAL 42 CO -0.00 0.31 -0.21 -0.69 0.00 0.00 0.00 175.10 174.51 2x4k s VAL 43 N 0.52 1.74 -0.18 2.92 1.01 0.27 -4.97 120.40 121.71 2x4k s VAL 43 Ca -0.10 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2x4k s VAL 43 Cb -0.13 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2x4k s VAL 43 CO 0.02 0.49 -0.01 -0.63 0.00 0.00 0.00 175.10 174.97 2x4k s ILE 44 N 0.06 4.03 -0.23 2.22 -1.09 -1.26 -0.52 121.20 124.41 2x4k s ILE 44 Ca -0.07 -0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 2x4k s ILE 44 Cb -0.14 -2.79 0.04 0.00 -1.58 0.00 0.00 42.46 37.99 2x4k s ILE 44 CO 0.04 0.46 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.49 2x4k s GLU 45 N 0.60 2.67 0.17 2.79 2.02 0.48 -4.95 118.70 122.48 2x4k s GLU 45 Ca -0.01 -1.06 -0.21 0.00 0.02 0.00 0.00 54.97 53.70 2x4k s GLU 45 Cb -0.14 -2.84 -0.08 0.00 0.10 0.00 0.00 34.13 31.17 2x4k s GLU 45 CO 0.02 -0.41 0.69 -1.21 0.02 0.00 0.00 175.26 174.38 2x4k s GLU 46 N 1.24 4.32 -0.03 1.61 2.02 -1.26 -1.87 118.70 124.74 2x4k s GLU 46 Ca -0.02 0.91 0.07 0.00 0.02 0.00 0.00 54.97 55.95 2x4k s GLU 46 Cb -0.17 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 2x4k s GLU 46 CO -0.07 0.51 -0.24 -1.64 0.02 0.00 0.00 175.26 173.84 2x4k s MET 47 N -1.51 2.06 0.42 1.61 -1.94 0.57 -4.81 119.30 115.71 2x4k s MET 47 Ca 0.37 -0.86 -0.23 0.00 -1.71 0.00 0.00 55.69 53.25 2x4k s MET 47 Cb -0.19 -1.93 -0.08 0.00 2.01 0.00 0.00 34.83 34.63 2x4k s MET 47 CO 0.22 0.48 1.08 0.15 -0.01 0.00 0.00 175.02 176.95 2x4k s LYS 48 N -0.47 4.02 0.61 2.03 1.02 -1.26 -0.75 119.74 124.94 2x4k s LYS 48 Ca 0.06 1.58 0.39 0.00 0.02 0.00 0.00 55.97 58.02 2x4k s LYS 48 Cb -0.10 -2.47 1.91 0.00 -0.52 0.00 0.00 37.83 36.65 2x4k s LYS 48 CO 0.00 -0.28 2.19 -1.00 -0.92 0.00 0.00 175.35 175.33 2x4k h PRO 49 N 2.29 0.00 -0.12 -1.68 0.13 -1.96 -0.31 132.00 130.35 2x4k h PRO 49 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2x4k h PRO 49 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2x4k h PRO 49 CO 0.61 0.01 0.00 0.27 -0.23 0.00 0.00 178.00 178.66 2x4k n ASN 50 N -3.13 0.88 -0.29 1.44 6.94 -1.26 -1.65 115.26 118.19 2x4k n ASN 50 Ca -0.01 -1.75 0.03 0.00 -0.02 0.00 0.00 54.58 52.83 2x4k n ASN 50 Cb 0.18 -0.08 0.06 0.00 -2.36 0.00 0.00 39.78 37.59 2x4k n ASN 50 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2x4k n HIS 51 N -0.13 0.17 -3.59 -2.53 8.25 -0.13 -4.98 115.22 112.29 2x4k n HIS 51 Ca 0.11 -0.38 -0.11 0.00 -0.26 0.00 0.00 57.72 57.09 2x4k n HIS 51 Cb 0.18 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.87 -0.29 0.21 4.41 -0.85 -1.25 -4.96 117.35 113.76 2x4k s TYR 52 Ca 0.10 0.02 -0.22 0.00 -0.52 0.00 0.00 57.07 56.45 2x4k s TYR 52 Cb 0.06 0.32 0.07 0.00 0.38 0.00 0.00 41.96 42.78 2x4k s TYR 52 CO 0.08 -0.72 0.97 0.20 -1.52 0.00 0.00 175.55 174.56 2x4k s GLY 53 N -2.70 0.04 0.03 5.49 0.00 -1.26 -1.69 107.32 107.22 2x4k s GLY 53 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.50 2x4k s GLY 53 CO -0.11 1.22 -0.05 0.54 0.00 0.00 0.00 173.10 174.69 2x4k s VAL 54 N -2.57 0.31 -1.79 1.40 0.11 -0.97 -4.82 120.40 112.06 2x4k s VAL 54 Ca 0.18 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 2x4k s VAL 54 Cb -0.03 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 2x4k s VAL 54 CO 0.05 -0.37 0.00 0.00 -3.33 0.00 0.00 175.10 171.45 2x4k n ALA 55 N 1.73 -0.46 -0.73 1.54 0.00 -1.26 -2.05 120.51 119.28 2x4k n ALA 55 Ca -0.22 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2x4k n ALA 55 Cb 0.55 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.63 0.79 3.24 0.00 0.00 -1.26 -5.03 105.19 102.30 2x4k n GLY 56 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2x4k n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x4k s VAL 57 N -3.01 2.34 0.48 1.61 1.01 -0.87 -5.07 120.40 116.88 2x4k s VAL 57 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 2x4k s VAL 57 Cb 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 2x4k s VAL 57 CO 0.00 0.54 1.01 -0.13 0.00 0.00 0.00 175.10 176.53 2x4k s ARG 58 N 0.56 3.88 0.44 2.72 0.52 -1.26 -2.30 118.95 123.51 2x4k s ARG 58 Ca -0.12 1.27 0.10 0.00 -0.52 0.00 0.00 55.73 56.45 2x4k s ARG 58 Cb -0.16 -2.11 0.97 0.00 0.52 0.00 0.00 34.95 34.16 2x4k s ARG 58 CO 0.04 -0.35 2.08 0.87 0.02 0.00 0.00 175.30 177.96 2x4k h LYS 59 N 1.53 0.38 0.00 3.54 1.79 -1.17 -1.65 116.57 120.99 2x4k h LYS 59 Ca -0.49 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2x4k h LYS 59 Cb 1.21 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2x4k h LYS 59 CO 0.60 0.26 -0.01 0.66 -1.08 0.00 0.00 179.45 179.87 2x4k h SER 60 N 0.39 0.00 -0.03 0.86 4.64 -1.58 -3.48 113.55 114.35 2x4k h SER 60 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2x4k h SER 60 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2x4k h SER 60 CO -0.02 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.42