#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x40 s SER 2 N 0.00 0.49 0.20 1.61 0.01 -1.26 -5.15 113.70 109.60 1x40 s SER 2 Ca 0.00 0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.29 1x40 s SER 2 Cb 0.00 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 1x40 s SER 2 CO 0.00 -0.19 0.34 -0.94 0.41 0.00 0.00 173.24 172.87 1x40 s SER 3 N 1.62 -0.01 0.00 2.44 1.04 -1.26 -5.12 113.70 112.42 1x40 s SER 3 Ca -0.03 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1x40 s SER 3 Cb -0.12 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1x40 s SER 3 CO -0.04 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1x40 n GLY 4 N -0.28 -0.13 3.53 7.32 0.00 -1.26 -5.11 105.19 109.26 1x40 n GLY 4 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1x40 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x40 s SER 5 N -2.38 -0.40 0.04 1.61 0.01 -1.26 -5.19 113.70 106.13 1x40 s SER 5 Ca 0.00 -0.09 -0.02 0.00 1.31 0.00 0.00 55.95 57.15 1x40 s SER 5 Cb 0.00 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.69 1x40 s SER 5 CO 0.00 -0.81 -0.00 -0.44 0.41 0.00 0.00 173.24 172.39 1x40 s SER 6 N -2.65 0.32 0.00 2.44 0.01 -1.26 -5.08 113.70 107.48 1x40 s SER 6 Ca 0.05 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1x40 s SER 6 Cb -0.01 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1x40 s SER 6 CO -0.08 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.72 1x40 n GLY 7 N 0.86 0.79 0.04 3.44 0.00 -1.26 -5.09 105.19 103.97 1x40 n GLY 7 Ca -0.19 -0.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.93 1x40 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x40 n MET 8 N 1.40 0.25 -4.02 1.61 2.00 -1.26 -5.08 117.12 112.02 1x40 n MET 8 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 57.70 57.95 1x40 n MET 8 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 33.22 31.95 1x40 n MET 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1x40 s SER 9 N -4.73 0.38 -0.20 7.83 1.04 -1.26 -5.15 113.70 111.61 1x40 s SER 9 Ca -0.09 -1.22 -0.13 0.00 0.48 0.00 0.00 55.95 54.99 1x40 s SER 9 Cb 0.01 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1x40 s SER 9 CO 0.13 -1.27 0.28 -0.55 0.98 0.00 0.00 173.24 172.80 1x40 s SER 10 N -3.13 6.32 0.24 7.02 0.15 -1.26 -5.04 113.70 118.01 1x40 s SER 10 Ca 0.26 0.37 -0.31 0.00 0.70 0.00 0.00 55.95 56.97 1x40 s SER 10 Cb -0.01 -2.17 -0.14 0.00 -1.71 0.00 0.00 66.02 61.99 1x40 s SER 10 CO 0.14 0.03 1.33 1.33 1.20 0.00 0.00 173.24 177.28 1x40 n VAL 11 N 4.06 1.11 0.03 4.45 0.24 -1.26 -4.92 118.33 122.04 1x40 n VAL 11 Ca -0.12 -0.28 -0.19 0.00 -2.04 0.00 0.00 64.34 61.71 1x40 n VAL 11 Cb 0.52 -1.36 -0.14 0.00 -1.47 0.00 0.00 33.84 31.38 1x40 n VAL 11 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1x40 h SER 12 N 3.78 0.39 -5.63 -1.34 0.02 -1.96 -3.47 113.55 105.33 1x40 h SER 12 Ca -0.44 -0.95 -0.32 0.00 -0.84 0.00 0.00 61.79 59.24 1x40 h SER 12 Cb 1.29 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.72 1x40 h SER 12 CO 0.73 1.35 -0.04 -1.84 -1.14 0.00 0.00 176.83 175.89 1x40 n GLU 13 N -4.18 0.70 0.16 3.45 0.28 -1.26 -5.01 120.64 114.78 1x40 n GLU 13 Ca -0.14 -2.03 0.02 0.00 -0.16 0.00 0.00 57.16 54.85 1x40 n GLU 13 Cb 0.78 -0.18 0.26 0.00 1.43 0.00 0.00 31.44 33.73 1x40 n GLU 13 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 1x40 h VAL 14 N 0.02 1.16 -1.70 3.84 3.04 -1.98 -3.45 116.25 117.18 1x40 h VAL 14 Ca -0.18 -1.78 -0.64 0.00 -1.01 0.00 0.00 66.70 63.10 1x40 h VAL 14 Cb 0.82 2.01 0.12 0.00 -2.01 0.00 0.00 31.29 32.23 1x40 h VAL 14 CO 0.25 0.48 -0.43 -3.20 -1.01 0.00 0.00 177.57 173.66 1x40 n ASN 15 N -3.69 -0.87 -4.40 3.17 2.85 -1.26 -4.97 115.26 106.08 1x40 n ASN 15 Ca -0.01 1.05 -0.31 0.00 -0.11 0.00 0.00 54.58 55.20 1x40 n ASN 15 Cb 0.55 -1.05 -0.14 0.00 1.24 0.00 0.00 39.78 40.38 1x40 n ASN 15 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1x40 s VAL 16 N -1.22 2.51 0.09 3.44 1.01 -1.26 -4.93 120.40 120.04 1x40 s VAL 16 Ca 0.62 -1.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 1x40 s VAL 16 Cb -0.77 -2.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 1x40 s VAL 16 CO 0.58 0.42 1.68 -0.62 0.00 0.00 0.00 175.10 177.16 1x40 s ASP 17 N -1.15 6.57 0.43 3.32 2.15 -1.26 -2.06 116.67 124.67 1x40 s ASP 17 Ca 0.13 2.54 0.32 0.00 0.43 0.00 0.00 52.55 55.97 1x40 s ASP 17 Cb -0.10 -2.57 1.43 0.00 -0.30 0.00 0.00 42.92 41.38 1x40 s ASP 17 CO 0.03 -0.90 1.46 0.00 -0.17 0.00 0.00 175.17 175.58 1x40 n ILE 18 N 4.67 -0.21 -0.13 4.11 0.13 0.14 0.15 119.36 128.22 1x40 n ILE 18 Ca 0.16 1.65 -0.06 0.00 -1.10 0.00 0.00 62.75 63.40 1x40 n ILE 18 Cb 0.40 -2.71 0.02 0.00 -0.84 0.00 0.00 39.64 36.50 1x40 n ILE 18 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1x40 h LYS 19 N 0.00 0.41 -0.06 9.51 3.64 -1.88 -1.45 116.57 126.74 1x40 h LYS 19 Ca 0.83 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 60.01 1x40 h LYS 19 Cb 2.77 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 34.49 1x40 h LYS 19 CO -0.39 0.27 -0.73 0.22 -2.27 0.00 0.00 179.45 176.56 1x40 h ASP 20 N 0.42 0.39 0.12 4.20 3.58 0.10 -1.56 116.42 123.68 1x40 h ASP 20 Ca 0.17 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 1x40 h ASP 20 Cb 0.07 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 1x40 h ASP 20 CO -0.11 0.99 -0.10 0.15 -2.88 0.00 0.00 179.24 177.28 1x40 h PHE 21 N 0.22 0.00 0.01 0.28 3.57 -0.79 -0.76 116.94 119.47 1x40 h PHE 21 Ca -0.03 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.25 1x40 h PHE 21 Cb 1.29 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 1x40 h PHE 21 CO 0.04 0.10 -1.22 -0.07 -2.23 0.00 0.00 178.31 174.92 1x40 h LEU 22 N 0.00 0.03 -1.73 0.59 3.38 -1.18 -3.37 115.31 113.04 1x40 h LEU 22 Ca -0.00 -0.57 0.12 0.00 0.09 0.00 0.00 57.88 57.52 1x40 h LEU 22 Cb 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1x40 h LEU 22 CO 0.01 1.48 0.41 0.24 0.09 0.00 0.00 178.44 180.68 1x40 h MET 23 N -0.92 0.28 -0.12 1.13 2.86 -1.20 0.72 114.93 117.67 1x40 h MET 23 Ca -0.33 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 1x40 h MET 23 Cb 1.34 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1x40 h MET 23 CO -0.17 0.19 -0.00 0.77 1.06 0.00 0.00 176.91 178.75 1x40 h SER 24 N 0.29 0.15 -0.01 1.22 0.02 -1.29 -2.35 113.55 111.57 1x40 h SER 24 Ca 0.29 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1x40 h SER 24 Cb 0.74 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1x40 h SER 24 CO -0.07 0.19 -0.13 2.30 -1.14 0.00 0.00 176.83 177.98 1x40 n ILE 25 N -4.43 0.00 -2.52 3.27 -5.35 0.20 -5.00 119.36 105.52 1x40 n ILE 25 Ca -0.01 -0.43 -0.05 0.00 -0.27 0.00 0.00 62.75 61.99 1x40 n ILE 25 Cb 0.15 1.19 0.02 0.00 -1.74 0.00 0.00 39.64 39.26 1x40 n ILE 25 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1x40 n ASN 26 N 0.19 -2.43 -0.31 7.28 4.13 0.22 -4.97 115.26 119.38 1x40 n ASN 26 Ca 0.06 -0.15 0.07 0.00 1.68 0.00 0.00 54.58 56.23 1x40 n ASN 26 Cb 0.27 -1.68 0.11 0.00 -1.54 0.00 0.00 39.78 36.94 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x40 n LEU 27 N -1.75 1.73 0.23 3.41 7.99 0.49 -4.75 117.00 124.36 1x40 n LEU 27 Ca -0.05 -2.61 0.16 0.00 -0.01 0.00 0.00 56.01 53.51 1x40 n LEU 27 Cb 0.53 -0.31 0.83 0.00 -0.11 0.00 0.00 43.42 44.36 1x40 n LEU 27 CO 0.16 0.66 0.97 1.05 -1.51 0.00 0.00 177.39 178.73 1x40 h GLU 28 N 0.16 0.00 0.00 3.23 -0.00 -1.90 -1.70 114.58 114.38 1x40 h GLU 28 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1x40 h GLU 28 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.89 1x40 h GLU 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 179.01 1x40 n GLN 29 N -2.59 0.00 -0.18 1.06 10.64 -1.26 -0.11 117.38 124.94 1x40 n GLN 29 Ca -0.02 0.47 0.05 0.00 -1.83 0.00 0.00 57.00 55.68 1x40 n GLN 29 Cb 0.06 -1.50 0.14 0.00 -0.86 0.00 0.00 30.24 28.08 1x40 n GLN 29 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1x40 n TYR 30 N -1.49 0.45 -0.27 2.61 4.01 -0.64 -4.65 117.16 117.18 1x40 n TYR 30 Ca 0.00 -0.53 0.04 0.00 -0.16 0.00 0.00 57.90 57.25 1x40 n TYR 30 Cb 0.01 -0.05 0.18 0.00 -0.31 0.00 0.00 39.34 39.17 1x40 n TYR 30 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1x40 h LEU 31 N 1.78 0.50 -0.07 7.72 5.85 -0.69 -1.81 115.31 128.59 1x40 h LEU 31 Ca 0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1x40 h LEU 31 Cb 0.76 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1x40 h LEU 31 CO 0.02 0.25 0.04 0.25 -0.34 0.00 0.00 178.44 178.66 1x40 h LEU 32 N 0.63 0.09 -0.22 2.25 7.12 -1.82 0.22 115.31 123.57 1x40 h LEU 32 Ca 0.41 -0.08 0.06 0.00 0.13 0.00 0.00 57.88 58.39 1x40 h LEU 32 Cb 0.50 -0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.53 1x40 h LEU 32 CO -0.31 0.15 -0.29 0.45 -0.13 0.00 0.00 178.44 178.30 1x40 h HIS 33 N 0.03 -0.80 -0.23 1.25 3.86 -1.68 0.14 115.15 117.72 1x40 h HIS 33 Ca 0.03 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1x40 h HIS 33 Cb 0.08 0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1x40 h HIS 33 CO -0.05 -0.37 0.04 0.74 0.86 0.00 0.00 177.93 179.16 1x40 h PHE 34 N -0.31 0.40 0.02 2.45 0.04 -1.29 -0.86 116.94 117.39 1x40 h PHE 34 Ca 0.13 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1x40 h PHE 34 Cb 0.51 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 1x40 h PHE 34 CO -0.43 0.50 -0.04 0.45 -0.60 0.00 0.00 178.31 178.19 1x40 h HIS 35 N 0.18 -0.11 -0.05 -0.55 3.86 -0.01 0.24 115.15 118.71 1x40 h HIS 35 Ca 0.07 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1x40 h HIS 35 Cb 0.31 0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 1x40 h HIS 35 CO 0.02 -0.05 0.17 0.93 0.86 0.00 0.00 177.93 179.86 1x40 h GLU 36 N -0.07 0.00 0.00 2.45 4.39 -0.82 0.20 114.58 120.73 1x40 h GLU 36 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1x40 h GLU 36 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1x40 h GLU 36 CO -0.01 0.00 -0.47 0.77 -1.16 0.00 0.00 179.01 178.14 1x40 h SER 37 N 0.00 0.00 0.00 1.42 0.02 -0.15 -3.47 113.55 111.37 1x40 h SER 37 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1x40 h SER 37 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1x40 h SER 37 CO -0.00 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.77 1x40 n GLY 38 N 0.60 1.42 3.19 -3.77 0.00 0.69 -5.05 105.19 102.27 1x40 n GLY 38 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1x40 n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x40 s PHE 39 N -2.00 3.38 -0.18 1.61 0.08 0.66 -4.91 117.98 116.62 1x40 s PHE 39 Ca 0.00 -1.91 0.17 0.00 0.12 0.00 0.00 56.93 55.30 1x40 s PHE 39 Cb 0.00 -2.66 -0.23 0.00 -0.57 0.00 0.00 43.02 39.56 1x40 s PHE 39 CO 0.00 -0.85 0.07 0.25 -0.10 0.00 0.00 175.22 174.59 1x40 n THR 40 N 4.70 1.25 -4.53 0.64 -2.24 -1.26 -3.69 114.28 109.14 1x40 n THR 40 Ca -0.09 -0.78 -0.25 0.00 -2.27 0.00 0.00 64.05 60.66 1x40 n THR 40 Cb 0.43 -0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.06 1x40 n THR 40 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x40 s THR 41 N -2.46 2.03 0.22 4.28 -4.23 -1.26 0.24 115.64 114.45 1x40 s THR 41 Ca -0.09 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.24 1x40 s THR 41 Cb 0.06 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.26 1x40 s THR 41 CO 0.76 -0.17 1.66 0.58 -0.54 0.00 0.00 174.62 176.91 1x40 h VAL 42 N 2.02 1.26 -0.81 2.29 2.07 -1.74 -2.99 116.25 118.35 1x40 h VAL 42 Ca -0.42 -1.25 0.09 0.00 0.82 0.00 0.00 66.70 65.95 1x40 h VAL 42 Cb 1.24 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 1x40 h VAL 42 CO 0.72 0.42 0.46 0.50 0.02 0.00 0.00 177.57 179.69 1x40 h LYS 43 N 0.72 0.74 0.00 1.57 1.63 -1.97 0.20 116.57 119.47 1x40 h LYS 43 Ca 0.11 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1x40 h LYS 43 Cb 0.66 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1x40 h LYS 43 CO 0.05 0.49 0.03 0.22 -3.45 0.00 0.00 179.45 176.79 1x40 h ASP 44 N 0.77 0.00 -0.28 4.20 1.82 -1.93 0.40 116.42 121.40 1x40 h ASP 44 Ca 0.39 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.03 1x40 h ASP 44 Cb 0.37 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.38 1x40 h ASP 44 CO -0.25 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.38 1x40 h ALA 46 N 3.00 0.85 0.00 0.00 0.00 -1.01 -3.22 119.26 118.87 1x40 h ALA 46 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1x40 h ALA 46 Cb 1.18 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1x40 h ALA 46 CO 0.23 0.65 -1.91 0.00 0.00 0.00 0.00 179.25 178.21 1x40 n ALA 47 N -2.31 2.05 -1.68 0.00 0.00 -1.26 -4.96 120.51 112.36 1x40 n ALA 47 Ca 0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 53.44 52.21 1x40 n ALA 47 Cb 0.63 -0.64 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 1x40 n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1x40 n ILE 48 N -2.65 2.10 -4.19 0.00 5.41 -1.22 -5.01 119.36 113.80 1x40 n ILE 48 Ca -0.16 -0.50 -0.19 0.00 1.00 0.00 0.00 62.75 62.91 1x40 n ILE 48 Cb 0.86 -1.45 -0.12 0.00 -0.71 0.00 0.00 39.64 38.22 1x40 n ILE 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1x40 s ASN 49 N -0.41 1.80 0.23 4.38 2.20 -1.26 -5.01 114.94 116.87 1x40 s ASN 49 Ca 0.57 -0.67 -0.02 0.00 -0.94 0.00 0.00 52.86 51.81 1x40 s ASN 49 Cb -0.58 -0.06 0.51 0.00 -2.00 0.00 0.00 41.25 39.12 1x40 s ASN 49 CO 0.61 -0.08 1.23 -0.67 -2.94 0.00 0.00 177.10 175.25 1x40 n ASP 50 N 1.10 -0.17 -0.26 3.54 2.03 -1.26 0.21 116.55 121.73 1x40 n ASP 50 Ca -0.20 1.34 0.04 0.00 0.52 0.00 0.00 54.79 56.50 1x40 n ASP 50 Cb 0.55 -0.46 0.18 0.00 -0.72 0.00 0.00 41.12 40.67 1x40 n ASP 50 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1x40 h SER 51 N 0.00 0.43 -0.30 1.67 0.02 -2.00 -1.54 113.55 111.84 1x40 h SER 51 Ca 0.44 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1x40 h SER 51 Cb 0.82 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1x40 h SER 51 CO -0.77 0.21 0.19 0.25 -1.14 0.00 0.00 176.83 175.57 1x40 h LEU 52 N 0.57 0.36 -0.45 5.07 5.85 0.21 -2.68 115.31 124.24 1x40 h LEU 52 Ca 0.40 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.16 1x40 h LEU 52 Cb 0.52 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 1x40 h LEU 52 CO -0.33 0.30 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.69 1x40 h LEU 53 N 0.39 -1.05 -0.55 2.25 -0.00 -0.81 0.98 115.31 116.52 1x40 h LEU 53 Ca 0.11 0.20 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1x40 h LEU 53 Cb 0.01 0.51 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1x40 h LEU 53 CO -0.02 -0.31 0.00 0.00 -0.00 0.00 0.00 178.44 178.11 1x40 n GLN 54 N -5.42 0.08 -0.08 1.13 10.64 -1.06 -2.70 117.38 119.98 1x40 n GLN 54 Ca 0.02 0.46 -0.10 0.00 -1.83 0.00 0.00 57.00 55.55 1x40 n GLN 54 Cb 0.34 -1.71 -0.05 0.00 -0.86 0.00 0.00 30.24 27.96 1x40 n GLN 54 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1x40 h LYS 55 N 0.00 0.00 -1.59 2.61 3.64 0.11 -3.37 116.57 117.97 1x40 h LYS 55 Ca 0.00 0.00 0.48 0.00 -1.27 0.00 0.00 60.65 59.86 1x40 h LYS 55 Cb 0.15 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.87 1x40 h LYS 55 CO 0.00 0.31 1.10 -0.84 -2.27 0.00 0.00 179.45 177.76 1x40 h ILE 56 N -1.00 0.11 0.00 2.00 3.07 -0.36 -3.43 117.51 117.90 1x40 h ILE 56 Ca -0.11 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.29 1x40 h ILE 56 Cb 0.74 0.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.36 1x40 h ILE 56 CO -0.06 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 177.65 1x40 n GLY 57 N -1.73 2.22 2.62 0.16 0.00 -1.20 -4.91 105.19 102.34 1x40 n GLY 57 Ca 0.39 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1x40 n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x40 n ILE 58 N 0.00 0.00 0.16 -0.61 5.41 -1.10 -4.80 119.36 118.42 1x40 n ILE 58 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 1x40 n ILE 58 Cb 0.00 -0.38 -0.04 0.00 -0.71 0.00 0.00 39.64 38.50 1x40 n ILE 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1x40 h SER 59 N 8.42 -0.40 -4.00 4.38 0.02 -1.88 -3.38 113.55 116.71 1x40 h SER 59 Ca -0.05 -0.04 -0.51 0.00 -0.84 0.00 0.00 61.79 60.36 1x40 h SER 59 Cb 1.03 0.10 0.06 0.00 0.14 0.00 0.00 62.40 63.74 1x40 h SER 59 CO 0.99 0.05 0.48 -2.16 -1.14 0.00 0.00 176.83 175.05 1x40 s PRO 60 N -3.26 3.75 -0.17 3.45 0.04 -1.26 -4.99 135.00 132.56 1x40 s PRO 60 Ca -0.08 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1x40 s PRO 60 Cb 0.01 -2.40 -0.22 0.00 0.04 0.00 0.00 34.50 31.92 1x40 s PRO 60 CO 0.26 -0.55 0.33 1.15 0.04 0.00 0.00 177.00 178.22 1x40 h THR 61 N 1.87 0.92 -0.93 1.26 2.02 -2.01 -3.35 112.91 112.69 1x40 h THR 61 Ca -0.49 -2.25 0.33 0.00 0.77 0.00 0.00 66.41 64.77 1x40 h THR 61 Cb 1.25 2.41 -0.10 0.00 -1.74 0.00 0.00 68.15 69.97 1x40 h THR 61 CO 0.60 0.50 0.59 0.61 0.37 0.00 0.00 175.52 178.19 1x40 n GLY 62 N 1.60 -0.58 0.14 2.16 0.00 -1.26 0.23 105.19 107.46 1x40 n GLY 62 Ca -0.30 0.54 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 1x40 n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1x40 h HIS 63 N 0.00 0.62 -0.56 1.61 -0.00 -2.00 -3.18 115.15 111.64 1x40 h HIS 63 Ca 0.62 -0.37 0.08 0.00 -0.00 0.00 0.00 60.37 60.70 1x40 h HIS 63 Cb 1.94 -0.06 -0.10 0.00 -0.00 0.00 0.00 27.41 29.19 1x40 h HIS 63 CO -0.00 1.22 -0.47 0.00 -0.00 0.00 0.00 177.93 178.68 1x40 h ARG 64 N -0.16 -0.24 -0.32 2.45 3.08 0.27 0.45 114.38 119.91 1x40 h ARG 64 Ca -0.10 0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1x40 h ARG 64 Cb 1.46 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.54 1x40 h ARG 64 CO 0.14 -0.16 0.21 0.00 -1.07 0.00 0.00 179.97 179.09 1x40 h ARG 65 N -0.25 0.35 -0.16 0.04 3.08 -1.62 -1.80 114.38 114.03 1x40 h ARG 65 Ca 0.16 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1x40 h ARG 65 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1x40 h ARG 65 CO -0.68 0.23 -0.01 -0.09 -1.07 0.00 0.00 179.97 178.35 1x40 h ARG 66 N 0.36 0.29 -0.22 0.04 1.12 -0.24 0.68 114.38 116.41 1x40 h ARG 66 Ca 0.13 -0.10 -0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1x40 h ARG 66 Cb 0.06 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1x40 h ARG 66 CO -0.03 0.53 0.12 0.82 -3.11 0.00 0.00 179.97 178.31 1x40 h ILE 67 N 0.02 1.11 -0.06 1.20 2.04 -0.10 -3.09 117.51 118.63 1x40 h ILE 67 Ca 0.04 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1x40 h ILE 67 Cb 0.41 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1x40 h ILE 67 CO 0.01 0.10 0.02 -0.07 0.00 0.00 0.00 178.15 178.21 1x40 h LEU 68 N 0.25 0.08 -0.83 1.44 3.38 -1.34 -2.41 115.31 115.88 1x40 h LEU 68 Ca 0.08 -0.21 0.26 0.00 0.09 0.00 0.00 57.88 58.10 1x40 h LEU 68 Cb 0.05 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.63 1x40 h LEU 68 CO -0.01 0.27 0.12 1.17 0.09 0.00 0.00 178.44 180.07 1x40 n LYS 69 N -4.93 -0.06 0.10 1.13 3.00 0.23 0.16 118.16 117.78 1x40 n LYS 69 Ca -0.07 1.23 -0.20 0.00 -0.00 0.00 0.00 58.31 59.27 1x40 n LYS 69 Cb 0.13 -2.00 -0.12 0.00 0.00 0.00 0.00 35.03 33.03 1x40 n LYS 69 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1x40 h GLN 70 N 0.00 0.51 -0.89 1.64 1.08 -1.51 -3.18 115.11 112.76 1x40 h GLN 70 Ca 0.55 -0.72 0.16 0.00 -1.45 0.00 0.00 58.65 57.19 1x40 h GLN 70 Cb 1.24 0.24 -0.10 0.00 -0.05 0.00 0.00 27.48 28.81 1x40 h GLN 70 CO -0.75 1.32 0.48 -0.07 -0.95 0.00 0.00 178.83 178.86 1x40 h LEU 71 N 0.21 0.60 0.16 1.46 3.38 0.21 0.18 115.31 121.50 1x40 h LEU 71 Ca -0.17 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1x40 h LEU 71 Cb 1.92 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1x40 h LEU 71 CO 0.23 0.24 -0.08 1.56 0.09 0.00 0.00 178.44 180.49 1x40 h GLN 72 N 0.67 -0.20 -0.43 1.13 4.20 -1.18 0.17 115.11 119.47 1x40 h GLN 72 Ca 0.49 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.28 1x40 h GLN 72 Cb 0.70 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1x40 h GLN 72 CO -0.36 0.15 0.11 0.82 -0.67 0.00 0.00 178.83 178.87 1x40 h ILE 73 N -0.58 0.81 0.51 2.54 2.04 -1.37 -1.16 117.51 120.29 1x40 h ILE 73 Ca -0.02 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1x40 h ILE 73 Cb 0.44 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1x40 h ILE 73 CO 0.04 0.05 -0.24 0.40 0.00 0.00 0.00 178.15 178.39 1x40 h ILE 74 N 0.26 0.27 -0.06 -0.67 2.04 -0.68 -2.69 117.51 115.97 1x40 h ILE 74 Ca 0.21 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1x40 h ILE 74 Cb 0.24 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1x40 h ILE 74 CO -0.25 0.05 0.56 -0.07 0.00 0.00 0.00 178.15 178.44 1x40 h LEU 75 N -1.05 0.00 0.00 1.44 3.38 -0.54 0.10 115.31 118.63 1x40 h LEU 75 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1x40 h LEU 75 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1x40 h LEU 75 CO 0.11 0.00 -0.03 -1.28 0.09 0.00 0.00 178.44 177.34 1x40 h SER 76 N 0.00 0.00 0.00 -0.43 0.87 -1.00 -3.28 113.55 109.72 1x40 h SER 76 Ca 0.03 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 1x40 h SER 76 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1x40 h SER 76 CO -0.00 0.95 0.00 2.29 -0.53 0.00 0.00 176.83 179.53 1x40 n LYS 77 N -4.63 0.92 -4.64 2.24 2.85 0.22 -4.76 118.16 110.35 1x40 n LYS 77 Ca -0.09 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.86 1x40 n LYS 77 Cb 0.42 -1.02 -0.13 0.00 -0.65 0.00 0.00 35.03 33.66 1x40 n LYS 77 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1x40 s MET 78 N -1.96 2.05 -0.36 -1.58 -1.94 -0.42 -5.03 119.30 110.06 1x40 s MET 78 Ca 0.00 -0.99 -0.32 0.00 -1.71 0.00 0.00 55.69 52.67 1x40 s MET 78 Cb 0.00 -2.18 -0.14 0.00 2.01 0.00 0.00 34.83 34.52 1x40 s MET 78 CO 0.00 0.54 1.50 1.04 -0.01 0.00 0.00 175.02 178.09 1x40 n GLN 79 N 1.52 0.00 -1.46 2.03 1.13 -1.26 -4.76 117.38 114.59 1x40 n GLN 79 Ca -0.16 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.64 1x40 n GLN 79 Cb 0.52 -1.09 -0.06 0.00 0.11 0.00 0.00 30.24 29.73 1x40 n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1x40 n ASP 80 N 5.13 6.44 -4.80 1.08 2.03 -1.26 -4.97 116.55 120.20 1x40 n ASP 80 Ca 0.38 -3.18 -0.34 0.00 0.52 0.00 0.00 54.79 52.17 1x40 n ASP 80 Cb -0.03 -1.23 -0.02 0.00 -0.72 0.00 0.00 41.12 39.11 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1x40 s ILE 81 N -2.17 3.76 0.84 5.18 -0.00 -1.26 -5.04 121.20 122.52 1x40 s ILE 81 Ca 0.58 1.04 -0.11 0.00 -0.00 0.00 0.00 60.65 62.17 1x40 s ILE 81 Cb 0.38 -3.43 0.10 0.00 -0.00 0.00 0.00 42.46 39.51 1x40 s ILE 81 CO -0.21 -0.29 1.09 -2.16 -0.00 0.00 0.00 174.94 173.37 1x40 s PRO 82 N -3.40 1.68 0.11 0.37 0.04 -1.26 -5.01 135.00 127.53 1x40 s PRO 82 Ca 0.67 0.97 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 1x40 s PRO 82 Cb -0.17 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1x40 s PRO 82 CO 0.24 -1.99 0.79 0.42 0.04 0.00 0.00 177.00 176.50 1x40 s ILE 83 N -2.92 4.52 -0.20 0.56 -1.09 -1.26 -4.97 121.20 115.82 1x40 s ILE 83 Ca 0.62 1.72 -0.05 0.00 -2.23 0.00 0.00 60.65 60.71 1x40 s ILE 83 Cb -0.18 -4.15 -0.11 0.00 -1.58 0.00 0.00 42.46 36.45 1x40 s ILE 83 CO 0.57 0.44 -0.23 -1.22 -1.23 0.00 0.00 174.94 173.27 1x40 n TYR 84 N 2.19 0.00 -0.12 3.97 4.01 -1.26 -4.60 117.16 121.34 1x40 n TYR 84 Ca -0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.63 1x40 n TYR 84 Cb 0.49 -0.75 -0.06 0.00 -0.31 0.00 0.00 39.34 38.71 1x40 n TYR 84 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x40 h ALA 85 N -0.42 -0.52 -3.21 -0.72 0.00 -2.05 -3.39 119.26 108.94 1x40 h ALA 85 Ca -0.49 0.02 -0.52 0.00 0.00 0.00 0.00 54.91 53.91 1x40 h ALA 85 Cb 1.56 1.02 -0.36 0.00 0.00 0.00 0.00 17.79 20.01 1x40 h ALA 85 CO -0.21 -0.70 -0.80 -1.12 0.00 0.00 0.00 179.25 176.41 1x40 s SER 86 N -4.20 2.11 0.24 0.00 0.01 -1.26 -5.11 113.70 105.50 1x40 s SER 86 Ca -0.08 -0.30 -0.17 0.00 1.31 0.00 0.00 55.95 56.71 1x40 s SER 86 Cb 0.05 -0.84 -0.12 0.00 0.21 0.00 0.00 66.02 65.33 1x40 s SER 86 CO 0.37 -0.10 0.16 0.61 0.41 0.00 0.00 173.24 174.69 1x40 n GLY 87 N 4.78 -1.74 3.58 3.44 0.00 -1.26 -4.73 105.19 109.26 1x40 n GLY 87 Ca -0.14 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1x40 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x40 s PRO 88 N -0.72 3.17 0.07 1.61 0.04 -1.26 -4.90 135.00 133.01 1x40 s PRO 88 Ca 0.44 1.10 -0.33 0.00 0.04 0.00 0.00 61.00 62.25 1x40 s PRO 88 Cb -0.53 -4.22 -0.18 0.00 0.04 0.00 0.00 34.50 29.61 1x40 s PRO 88 CO 0.44 -2.07 1.62 0.77 0.04 0.00 0.00 177.00 177.80 1x40 h SER 89 N 13.12 -0.86 0.00 6.66 0.02 -2.01 -3.42 113.55 127.05 1x40 h SER 89 Ca -0.30 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1x40 h SER 89 Cb 1.16 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1x40 h SER 89 CO 1.10 -0.57 -0.12 -1.20 -1.14 0.00 0.00 176.83 174.90 1x40 n SER 90 N -5.50 1.13 0.00 3.07 7.64 -1.26 -5.31 113.62 113.39 1x40 n SER 90 Ca -0.13 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1x40 n SER 90 Cb 0.39 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64