#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d93 s SER 2 N 0.00 6.34 -0.09 1.61 0.01 -1.26 -5.01 113.70 115.30 2d93 s SER 2 Ca 0.00 -1.81 -0.08 0.00 1.31 0.00 0.00 55.95 55.37 2d93 s SER 2 Cb 0.00 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.98 2d93 s SER 2 CO 0.00 -0.95 0.24 -0.94 0.41 0.00 0.00 173.24 172.00 2d93 s SER 3 N 3.35 -0.25 -0.72 2.44 1.04 -1.26 -5.09 113.70 113.21 2d93 s SER 3 Ca 0.13 0.49 -0.28 0.00 0.48 0.00 0.00 55.95 56.77 2d93 s SER 3 Cb -0.21 0.48 -0.14 0.00 0.10 0.00 0.00 66.02 66.26 2d93 s SER 3 CO 0.01 -0.10 2.54 0.61 0.98 0.00 0.00 173.24 177.28 2d93 n GLY 4 N 3.13 -0.12 3.56 7.32 0.00 -1.26 -4.82 105.19 113.00 2d93 n GLY 4 Ca -0.14 0.85 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 2d93 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d93 s SER 5 N 10.70 -0.31 0.89 1.61 1.04 -1.26 -5.17 113.70 121.20 2d93 s SER 5 Ca 1.15 0.20 -0.10 0.00 0.48 0.00 0.00 55.95 57.68 2d93 s SER 5 Cb -0.64 0.28 0.13 0.00 0.10 0.00 0.00 66.02 65.89 2d93 s SER 5 CO 0.36 -0.38 1.12 -0.44 0.98 0.00 0.00 173.24 174.87 2d93 s SER 6 N -1.65 3.30 -0.01 7.02 0.01 -1.26 -5.02 113.70 116.09 2d93 s SER 6 Ca 0.02 2.00 -0.04 0.00 1.31 0.00 0.00 55.95 59.25 2d93 s SER 6 Cb -0.01 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2d93 s SER 6 CO -0.03 -2.83 -0.07 0.61 0.41 0.00 0.00 173.24 171.33 2d93 n GLY 7 N -0.25 -0.19 0.33 3.44 0.00 -1.26 -4.43 105.19 102.83 2d93 n GLY 7 Ca 0.10 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.23 2d93 n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2d93 h ASP 8 N -0.20 -0.26 -3.28 1.61 3.58 -2.08 -2.85 116.42 112.94 2d93 h ASP 8 Ca 0.00 0.26 -0.62 0.00 0.42 0.00 0.00 57.03 57.09 2d93 h ASP 8 Cb 0.20 0.41 -0.42 0.00 1.72 0.00 0.00 39.33 41.24 2d93 h ASP 8 CO 0.00 -0.33 -0.60 1.51 -2.88 0.00 0.00 179.24 176.94 2d93 s ASP 9 N -4.95 4.59 -0.14 2.28 -4.77 -1.26 -4.92 116.67 107.50 2d93 s ASP 9 Ca -0.12 -3.67 -0.21 0.00 -3.30 0.00 0.00 52.55 45.24 2d93 s ASP 9 Cb 0.29 -1.58 -0.19 0.00 -1.09 0.00 0.00 42.92 40.36 2d93 s ASP 9 CO 0.78 -0.11 0.51 -0.78 0.70 0.00 0.00 175.17 176.26 2d93 h ASP 10 N 5.60 0.00 -0.86 2.11 1.82 -1.72 -3.34 116.42 120.04 2d93 h ASP 10 Ca 0.11 -0.69 0.21 0.00 -0.39 0.00 0.00 57.03 56.27 2d93 h ASP 10 Cb 0.78 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.67 2d93 h ASP 10 CO 0.70 0.93 0.32 0.40 -1.61 0.00 0.00 179.24 179.98 2d93 h ILE 11 N -1.00 0.46 -0.16 2.25 2.04 -1.91 -1.23 117.51 117.96 2d93 h ILE 11 Ca -0.04 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.75 2d93 h ILE 11 Cb 0.79 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2d93 h ILE 11 CO -0.02 0.06 -0.39 -0.33 0.00 0.00 0.00 178.15 177.47 2d93 h GLU 12 N 0.35 -0.43 -0.99 2.37 4.39 -1.98 0.46 114.58 118.75 2d93 h GLU 12 Ca 0.52 0.03 0.21 0.00 0.34 0.00 0.00 59.36 60.46 2d93 h GLU 12 Cb 0.97 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.63 2d93 h GLU 12 CO -0.54 -0.29 0.62 1.96 -1.16 0.00 0.00 179.01 179.60 2d93 h GLN 13 N -0.45 0.58 -0.05 2.33 1.08 -1.34 0.11 115.11 117.36 2d93 h GLN 13 Ca 0.09 -0.03 -0.21 0.00 -1.45 0.00 0.00 58.65 57.04 2d93 h GLN 13 Cb 0.60 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2d93 h GLN 13 CO -0.41 0.38 -0.84 1.25 -0.95 0.00 0.00 178.83 178.26 2d93 h LEU 14 N 0.60 0.60 -0.16 1.46 5.85 -0.76 -3.29 115.31 119.60 2d93 h LEU 14 Ca 0.56 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2d93 h LEU 14 Cb 1.10 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2d93 h LEU 14 CO -0.32 1.21 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.85 2d93 h LEU 15 N 0.30 -0.26 -1.00 2.25 3.38 0.25 -1.61 115.31 118.63 2d93 h LEU 15 Ca -0.06 0.06 0.30 0.00 0.09 0.00 0.00 57.88 58.27 2d93 h LEU 15 Cb 1.46 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 42.21 2d93 h LEU 15 CO 0.15 -0.10 0.56 -0.33 0.09 0.00 0.00 178.44 178.81 2d93 h GLU 16 N -0.06 0.37 -0.21 1.13 5.08 -1.46 0.49 114.58 119.92 2d93 h GLU 16 Ca 0.09 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 2d93 h GLU 16 Cb 0.19 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2d93 h GLU 16 CO -0.20 0.25 -0.60 0.35 -1.00 0.00 0.00 179.01 177.80 2d93 h PHE 17 N 0.38 0.91 -0.81 4.33 3.04 -1.44 -3.17 116.94 120.19 2d93 h PHE 17 Ca 0.70 -0.34 0.10 0.00 3.98 0.00 0.00 57.97 62.41 2d93 h PHE 17 Cb 1.53 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 39.81 2d93 h PHE 17 CO -0.02 1.13 0.45 0.52 -2.02 0.00 0.00 178.31 178.37 2d93 h MET 18 N 0.53 0.73 -0.76 1.11 2.86 0.69 -1.04 114.93 119.05 2d93 h MET 18 Ca -0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2d93 h MET 18 Cb 1.19 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 2d93 h MET 18 CO 0.12 0.48 0.39 1.25 1.06 0.00 0.00 176.91 180.21 2d93 h HIS 19 N 0.75 1.07 -0.87 -0.22 -0.00 -1.37 -2.57 115.15 111.94 2d93 h HIS 19 Ca 0.40 -0.03 0.16 0.00 -0.00 0.00 0.00 60.37 60.89 2d93 h HIS 19 Cb 0.39 -0.34 -0.10 0.00 -0.00 0.00 0.00 27.41 27.36 2d93 h HIS 19 CO -0.07 0.76 0.45 1.96 -0.00 0.00 0.00 177.93 181.03 2d93 h GLN 20 N 1.08 0.61 -6.83 5.26 4.20 -1.18 -3.41 115.11 114.83 2d93 h GLN 20 Ca 0.27 -0.04 -0.48 0.00 0.06 0.00 0.00 58.65 58.46 2d93 h GLN 20 Cb 0.07 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2d93 h GLN 20 CO -0.04 0.40 0.35 -0.51 -0.67 0.00 0.00 178.83 178.36 2d93 s LEU 21 N -10.36 4.46 0.04 1.46 1.43 -0.97 -4.99 118.68 109.76 2d93 s LEU 21 Ca -0.12 1.89 -0.20 0.00 -1.03 0.00 0.00 54.13 54.67 2d93 s LEU 21 Cb 0.22 -3.85 -0.14 0.00 0.03 0.00 0.00 46.19 42.45 2d93 s LEU 21 CO 0.78 0.01 1.35 1.55 0.23 0.00 0.00 176.35 180.28 2d93 h PRO 22 N 3.56 0.37 -0.83 1.29 0.13 -1.79 -2.14 132.00 132.58 2d93 h PRO 22 Ca -0.46 -0.19 0.13 0.00 -0.87 0.00 0.00 66.00 64.60 2d93 h PRO 22 Cb 1.20 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2d93 h PRO 22 CO 0.66 0.75 0.54 0.00 -0.23 0.00 0.00 178.00 179.72 2d93 h ALA 23 N 0.62 1.86 -0.00 -0.56 0.00 -1.91 0.32 119.26 119.59 2d93 h ALA 23 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2d93 h ALA 23 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2d93 h ALA 23 CO 0.04 -0.07 -0.32 1.19 0.00 0.00 0.00 179.25 180.09 2d93 n PHE 24 N -4.53 0.00 -0.03 0.00 3.72 -1.19 -3.72 117.46 111.70 2d93 n PHE 24 Ca 0.15 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.48 2d93 n PHE 24 Cb 0.43 -0.32 -0.14 0.00 -0.94 0.00 0.00 39.48 38.51 2d93 n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d93 n ALA 25 N -1.46 1.57 -0.34 4.37 0.00 0.87 -4.13 120.51 121.40 2d93 n ALA 25 Ca 0.06 -0.86 0.36 0.00 0.00 0.00 0.00 53.44 53.01 2d93 n ALA 25 Cb 0.33 -0.72 0.72 0.00 0.00 0.00 0.00 19.45 19.79 2d93 n ALA 25 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2d93 h ASN 26 N 0.00 0.00 -3.54 0.00 -1.24 -0.87 -3.39 115.58 106.54 2d93 h ASN 26 Ca -0.32 0.00 -0.66 0.00 0.71 0.00 0.00 56.30 56.02 2d93 h ASN 26 Cb 2.00 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 40.89 2d93 h ASN 26 CO 0.06 0.00 -0.73 0.00 -1.29 0.00 0.00 177.43 175.48 2d93 s MET 27 N -4.80 2.23 1.10 6.67 0.23 -1.26 -5.11 119.30 118.35 2d93 s MET 27 Ca -0.05 -0.97 -0.20 0.00 -1.03 0.00 0.00 55.69 53.45 2d93 s MET 27 Cb 0.21 -2.36 0.07 0.00 -1.53 0.00 0.00 34.83 31.23 2d93 s MET 27 CO 0.74 0.52 -0.17 -2.37 -2.03 0.00 0.00 175.02 171.71 2d93 n THR 28 N 0.78 0.00 0.28 3.16 5.66 -1.26 -4.77 114.28 118.12 2d93 n THR 28 Ca -0.13 -0.26 -0.16 0.00 -3.05 0.00 0.00 64.05 60.45 2d93 n THR 28 Cb 0.52 -0.53 -0.08 0.00 -1.55 0.00 0.00 70.33 68.69 2d93 n THR 28 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 2d93 h MET 29 N -1.93 -0.66 -0.90 1.09 4.05 -1.92 -3.04 114.93 111.62 2d93 h MET 29 Ca -0.52 0.05 0.20 0.00 -0.28 0.00 0.00 59.70 59.14 2d93 h MET 29 Cb 1.36 0.15 -0.17 0.00 -0.80 0.00 0.00 31.60 32.14 2d93 h MET 29 CO 0.36 -0.39 -0.16 0.43 0.23 0.00 0.00 176.91 177.38 2d93 n SER 30 N -5.34 -0.27 -0.35 1.39 7.64 -1.26 0.20 113.62 115.64 2d93 n SER 30 Ca -0.12 1.54 0.02 0.00 1.01 0.00 0.00 58.87 61.33 2d93 n SER 30 Cb 0.31 -0.49 0.19 0.00 -1.01 0.00 0.00 64.21 63.21 2d93 n SER 30 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2d93 h VAL 31 N 0.00 1.10 0.48 0.44 2.07 -1.87 -1.47 116.25 117.01 2d93 h VAL 31 Ca 0.46 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2d93 h VAL 31 Cb 0.77 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2d93 h VAL 31 CO -0.90 0.21 -0.23 0.03 0.02 0.00 0.00 177.57 176.69 2d93 h ARG 32 N 1.15 -0.63 -0.87 1.57 3.08 0.24 -0.88 114.38 118.05 2d93 h ARG 32 Ca 0.41 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.59 2d93 h ARG 32 Cb 0.13 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 2d93 h ARG 32 CO -0.15 -0.39 0.51 -0.09 -1.07 0.00 0.00 179.97 178.78 2d93 h ARG 33 N -0.70 0.84 -0.54 0.04 1.12 -1.07 -1.40 114.38 112.68 2d93 h ARG 33 Ca -0.07 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.74 2d93 h ARG 33 Cb 0.52 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.27 2d93 h ARG 33 CO 0.11 0.56 0.27 0.93 -3.11 0.00 0.00 179.97 178.73 2d93 h GLU 34 N 0.87 0.77 -0.82 0.20 5.08 -1.08 -2.75 114.58 116.85 2d93 h GLU 34 Ca 0.41 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2d93 h GLU 34 Cb 0.35 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2d93 h GLU 34 CO -0.24 0.62 0.48 -0.07 -1.00 0.00 0.00 179.01 178.80 2d93 h LEU 35 N 0.72 0.99 -2.18 1.33 3.38 -0.24 -1.09 115.31 118.22 2d93 h LEU 35 Ca 0.19 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2d93 h LEU 35 Cb 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2d93 h LEU 35 CO -0.03 0.78 0.08 0.00 0.09 0.00 0.00 178.44 179.36 2d93 n SER 37 N -2.71 0.79 -0.15 0.00 7.64 -0.43 -4.14 113.62 114.62 2d93 n SER 37 Ca -0.02 -0.68 0.04 0.00 1.01 0.00 0.00 58.87 59.22 2d93 n SER 37 Cb 0.13 0.67 0.06 0.00 -1.01 0.00 0.00 64.21 64.06 2d93 n SER 37 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2d93 n VAL 38 N -1.49 1.01 -4.75 0.44 0.24 0.13 -5.04 118.33 108.86 2d93 n VAL 38 Ca 0.05 -1.17 -0.33 0.00 -2.04 0.00 0.00 64.34 60.84 2d93 n VAL 38 Cb 0.33 0.25 -0.13 0.00 -1.47 0.00 0.00 33.84 32.83 2d93 n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d93 s MET 39 N -1.43 2.81 0.50 7.34 0.00 0.12 -4.24 119.30 124.39 2d93 s MET 39 Ca 0.13 -0.63 -0.09 0.00 0.00 0.00 0.00 55.69 55.10 2d93 s MET 39 Cb 0.12 -2.52 -0.05 0.00 0.00 0.00 0.00 34.83 32.37 2d93 s MET 39 CO 0.01 0.54 0.86 0.42 0.00 0.00 0.00 175.02 176.85 2d93 s ILE 40 N -0.50 4.79 -0.27 3.16 1.01 0.61 -4.92 121.20 125.07 2d93 s ILE 40 Ca 0.07 0.58 -0.06 0.00 0.00 0.00 0.00 60.65 61.23 2d93 s ILE 40 Cb -0.12 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.53 2d93 s ILE 40 CO 0.02 -0.82 0.05 -0.36 0.00 0.00 0.00 174.94 173.83 2d93 s PHE 41 N -2.73 3.10 -0.02 3.97 0.08 -1.26 -3.30 117.98 117.81 2d93 s PHE 41 Ca 0.51 -0.88 -0.03 0.00 0.12 0.00 0.00 56.93 56.66 2d93 s PHE 41 Cb -0.10 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 2d93 s PHE 41 CO 0.42 -0.53 0.07 -1.21 -0.10 0.00 0.00 175.22 173.87 2d93 s GLU 42 N 1.51 0.16 -0.15 0.44 0.41 -1.14 -5.03 118.70 114.91 2d93 s GLU 42 Ca 0.04 -0.04 -0.05 0.00 -0.41 0.00 0.00 54.97 54.51 2d93 s GLU 42 Cb -0.16 0.07 0.07 0.00 -1.78 0.00 0.00 34.13 32.33 2d93 s GLU 42 CO 0.01 -0.03 0.27 0.54 -0.49 0.00 0.00 175.26 175.56 2d93 s VAL 43 N -0.31 -0.42 -0.01 2.63 0.11 -1.26 -0.53 120.40 120.61 2d93 s VAL 43 Ca -0.04 0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 58.91 2d93 s VAL 43 Cb -0.03 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2d93 s VAL 43 CO 0.00 0.05 1.12 -0.69 -3.33 0.00 0.00 175.10 172.25 2d93 s VAL 44 N 2.42 4.40 -0.18 2.04 1.01 0.32 -4.90 120.40 125.50 2d93 s VAL 44 Ca 0.03 1.72 -0.07 0.00 0.00 0.00 0.00 61.98 63.66 2d93 s VAL 44 Cb -0.13 -4.10 -0.22 0.00 0.00 0.00 0.00 36.38 31.93 2d93 s VAL 44 CO -0.10 0.08 0.12 -0.62 0.00 0.00 0.00 175.10 174.58 2d93 n GLU 45 N 4.42 0.69 -2.87 2.72 -0.58 -1.26 -0.63 120.64 123.14 2d93 n GLU 45 Ca 0.09 0.27 -0.43 0.00 -0.42 0.00 0.00 57.16 56.67 2d93 n GLU 45 Cb 0.48 -1.64 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 2d93 n GLU 45 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2d93 s GLN 46 N -2.52 3.24 0.86 3.49 -0.21 -1.26 -3.32 119.66 119.94 2d93 s GLN 46 Ca -0.28 -0.51 -0.11 0.00 0.02 0.00 0.00 55.36 54.48 2d93 s GLN 46 Cb 0.08 -4.12 0.17 0.00 1.00 0.00 0.00 33.01 30.14 2d93 s GLN 46 CO 0.68 -1.58 0.38 0.00 -2.12 0.00 0.00 175.29 172.64 2d93 n ALA 47 N 7.46 -2.31 -2.45 6.09 0.00 -1.26 -3.43 120.51 124.62 2d93 n ALA 47 Ca -0.01 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.64 2d93 n ALA 47 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 2d93 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d93 n GLY 48 N -1.26 -0.50 3.87 0.00 0.00 -1.22 -4.93 105.19 101.14 2d93 n GLY 48 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2d93 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d93 s ALA 49 N -2.58 3.75 -0.10 4.61 0.00 -1.22 -4.80 121.76 121.42 2d93 s ALA 49 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.26 2d93 s ALA 49 Cb -0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 2d93 s ALA 49 CO 0.00 0.58 1.01 0.42 0.00 0.00 0.00 175.76 177.77 2d93 s ILE 50 N -1.34 4.76 -0.17 0.00 1.09 -1.26 -1.89 121.20 122.39 2d93 s ILE 50 Ca 0.31 2.03 -0.03 0.00 -1.10 0.00 0.00 60.65 61.85 2d93 s ILE 50 Cb -0.14 -4.30 -0.23 0.00 -1.06 0.00 0.00 42.46 36.73 2d93 s ILE 50 CO 0.17 0.01 0.15 -0.38 -0.10 0.00 0.00 174.94 174.79 2d93 n ILE 51 N 4.55 1.68 -3.78 2.92 2.08 -0.64 -4.99 119.36 121.18 2d93 n ILE 51 Ca 0.09 -0.63 -0.13 0.00 0.56 0.00 0.00 62.75 62.64 2d93 n ILE 51 Cb 0.49 -1.61 -0.10 0.00 -0.75 0.00 0.00 39.64 37.66 2d93 n ILE 51 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2d93 s LEU 52 N -6.85 0.92 0.25 1.39 1.43 -1.25 -4.98 118.68 109.59 2d93 s LEU 52 Ca -0.27 0.40 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 2d93 s LEU 52 Cb 0.07 1.06 -0.03 0.00 0.03 0.00 0.00 46.19 47.32 2d93 s LEU 52 CO 0.71 -0.22 0.27 -1.61 0.23 0.00 0.00 176.35 175.73 2d93 s GLU 53 N -0.36 3.13 0.02 1.70 8.01 -1.26 -1.14 118.70 128.80 2d93 s GLU 53 Ca -0.05 -0.94 -0.30 0.00 0.01 0.00 0.00 54.97 53.69 2d93 s GLU 53 Cb -0.03 -2.70 -0.05 0.00 -4.31 0.00 0.00 34.13 27.04 2d93 s GLU 53 CO 0.01 0.40 1.19 0.16 0.01 0.00 0.00 175.26 177.04 2d93 s ASP 54 N -3.91 7.08 0.00 -0.19 -4.77 -0.87 -3.39 116.67 110.63 2d93 s ASP 54 Ca 0.34 1.93 0.00 0.00 -3.30 0.00 0.00 52.55 51.52 2d93 s ASP 54 Cb -0.08 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 2d93 s ASP 54 CO 0.27 -0.50 0.00 0.61 0.70 0.00 0.00 175.17 176.25 2d93 n GLY 55 N 3.26 1.08 3.45 2.12 0.00 0.17 -4.93 105.19 110.33 2d93 n GLY 55 Ca 0.09 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 2d93 n GLY 55 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2d93 s GLN 56 N -2.70 3.59 -0.66 1.61 0.74 -1.22 -4.88 119.66 116.14 2d93 s GLN 56 Ca 0.00 -0.55 -0.26 0.00 0.05 0.00 0.00 55.36 54.60 2d93 s GLN 56 Cb 0.00 -2.96 -0.08 0.00 1.10 0.00 0.00 33.01 31.08 2d93 s GLN 56 CO 0.00 0.11 2.24 -2.00 -0.55 0.00 0.00 175.29 175.09 2d93 s GLU 57 N 0.72 2.11 -0.18 1.67 2.12 -1.26 -1.98 118.70 121.89 2d93 s GLU 57 Ca -0.02 0.74 -0.29 0.00 0.36 0.00 0.00 54.97 55.76 2d93 s GLU 57 Cb -0.14 -4.68 -0.04 0.00 0.26 0.00 0.00 34.13 29.53 2d93 s GLU 57 CO 0.02 -3.55 1.73 -0.51 -0.54 0.00 0.00 175.26 172.42 2d93 s LEU 58 N 12.12 3.93 0.00 2.70 1.43 -0.49 -4.80 118.68 133.57 2d93 s LEU 58 Ca 0.86 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2d93 s LEU 58 Cb -0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2d93 s LEU 58 CO 0.16 -1.30 0.21 -0.90 0.23 0.00 0.00 176.35 174.74 2d93 n ASP 59 N 8.65 0.41 -4.26 2.29 5.75 -1.26 -3.99 116.55 124.15 2d93 n ASP 59 Ca 0.20 -0.70 -0.24 0.00 -0.01 0.00 0.00 54.79 54.04 2d93 n ASP 59 Cb 0.45 0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 40.88 2d93 n ASP 59 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2d93 s SER 60 N -0.48 2.40 -0.11 -1.12 0.01 -1.26 -2.00 113.70 111.14 2d93 s SER 60 Ca 0.00 -0.61 -0.16 0.00 1.31 0.00 0.00 55.95 56.50 2d93 s SER 60 Cb 0.00 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 2d93 s SER 60 CO 0.00 0.08 0.39 0.86 0.41 0.00 0.00 173.24 174.98 2d93 s TRP 61 N -1.02 3.55 -0.01 2.43 -0.00 0.38 -3.47 118.94 120.80 2d93 s TRP 61 Ca 0.06 0.80 0.04 0.00 -0.00 0.00 0.00 56.10 57.00 2d93 s TRP 61 Cb -0.09 -2.41 -0.03 0.00 -0.00 0.00 0.00 33.47 30.94 2d93 s TRP 61 CO 0.03 0.31 -0.11 0.71 -0.00 0.00 0.00 176.95 177.90 2d93 s TYR 62 N 0.15 2.79 -0.04 5.86 1.51 0.18 -1.79 117.35 126.01 2d93 s TYR 62 Ca 0.22 -0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 56.17 2d93 s TYR 62 Cb -0.15 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.13 2d93 s TYR 62 CO 0.09 0.30 0.02 0.08 -1.11 0.00 0.00 175.55 174.92 2d93 s VAL 63 N -0.89 0.12 -0.44 0.71 1.01 -1.17 -0.77 120.40 118.97 2d93 s VAL 63 Ca 0.14 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 2d93 s VAL 63 Cb -0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2d93 s VAL 63 CO 0.04 0.18 1.78 -0.63 0.00 0.00 0.00 175.10 176.47 2d93 s ILE 64 N 1.56 3.48 -0.03 2.22 1.01 -1.08 -3.29 121.20 125.06 2d93 s ILE 64 Ca -0.02 0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 2d93 s ILE 64 Cb -0.13 -3.80 -0.29 0.00 0.01 0.00 0.00 42.46 38.25 2d93 s ILE 64 CO -0.03 -0.62 0.73 -0.07 0.00 0.00 0.00 174.94 174.95 2d93 h LEU 65 N 14.52 0.50 -7.27 2.97 3.38 -1.78 -2.78 115.31 124.84 2d93 h LEU 65 Ca -0.30 -0.75 -0.09 0.00 0.09 0.00 0.00 57.88 56.83 2d93 h LEU 65 Cb 1.16 -0.16 -0.20 0.00 0.09 0.00 0.00 40.66 41.55 2d93 h LEU 65 CO 1.10 1.63 -0.06 0.21 0.09 0.00 0.00 178.44 181.41 2d93 s ASN 66 N -7.12 -0.42 0.00 -0.43 2.47 -1.18 -4.78 114.94 103.48 2d93 s ASN 66 Ca -0.13 0.44 0.00 0.00 0.42 0.00 0.00 52.86 53.59 2d93 s ASN 66 Cb 0.06 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.33 2d93 s ASN 66 CO 0.85 -0.49 0.00 0.61 -3.72 0.00 0.00 177.10 174.35 2d93 n GLY 67 N 1.25 -0.96 3.54 1.21 0.00 -1.26 -2.48 105.19 106.50 2d93 n GLY 67 Ca -0.20 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 2d93 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d93 s THR 68 N -1.45 3.32 -0.06 2.61 2.01 -1.26 -3.50 115.64 117.30 2d93 s THR 68 Ca 0.00 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.08 2d93 s THR 68 Cb 0.00 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.08 2d93 s THR 68 CO 0.00 0.36 -0.16 0.68 -0.69 0.00 0.00 174.62 174.81 2d93 s VAL 69 N -0.98 1.36 -0.12 3.82 -7.23 -1.19 -0.08 120.40 115.97 2d93 s VAL 69 Ca 0.16 -0.64 -0.04 0.00 -1.81 0.00 0.00 61.98 59.65 2d93 s VAL 69 Cb -0.11 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 2d93 s VAL 69 CO 0.07 0.40 0.03 -0.70 -0.31 0.00 0.00 175.10 174.59 2d93 s GLU 70 N 0.30 3.35 -0.06 4.82 2.12 0.93 -2.76 118.70 127.40 2d93 s GLU 70 Ca -0.09 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 54.89 2d93 s GLU 70 Cb -0.14 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2d93 s GLU 70 CO 0.03 0.56 -0.12 0.42 -0.54 0.00 0.00 175.26 175.62 2d93 s ILE 71 N -0.47 3.26 -0.01 -3.70 1.01 -0.90 -0.27 121.20 120.12 2d93 s ILE 71 Ca 0.09 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.17 2d93 s ILE 71 Cb -0.12 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 2d93 s ILE 71 CO 0.02 0.59 -0.25 -0.55 0.00 0.00 0.00 174.94 174.75 2d93 s SER 72 N -0.72 2.96 0.14 3.58 0.15 0.76 -1.38 113.70 119.19 2d93 s SER 72 Ca 0.11 -0.47 0.08 0.00 0.70 0.00 0.00 55.95 56.37 2d93 s SER 72 Cb -0.11 -0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 63.84 2d93 s SER 72 CO 0.01 0.30 -0.09 -1.00 1.20 0.00 0.00 173.24 173.65 2d93 s HIS 73 N -0.62 2.70 0.22 3.44 3.76 0.16 0.16 115.29 125.11 2d93 s HIS 73 Ca 0.10 -0.18 0.24 0.00 -0.15 0.00 0.00 55.06 55.07 2d93 s HIS 73 Cb -0.10 -1.37 1.04 0.00 1.11 0.00 0.00 32.58 33.26 2d93 s HIS 73 CO -0.01 0.46 1.88 -1.00 -0.85 0.00 0.00 174.74 175.23 2d93 h PRO 74 N 3.29 0.00 -0.11 8.40 0.13 -1.86 -3.01 132.00 138.84 2d93 h PRO 74 Ca -0.48 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.44 2d93 h PRO 74 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2d93 h PRO 74 CO 0.53 0.21 -0.77 0.38 -0.23 0.00 0.00 178.00 178.12 2d93 h ASP 75 N 0.00 0.71 0.00 1.44 3.04 -1.95 -3.47 116.42 116.19 2d93 h ASP 75 Ca -0.00 -0.47 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2d93 h ASP 75 Cb 0.65 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 38.73 2d93 h ASP 75 CO 0.03 1.24 0.00 0.61 -2.04 0.00 0.00 179.24 179.08 2d93 n GLY 76 N 0.65 0.75 3.41 7.15 0.00 -1.13 -5.15 105.19 110.86 2d93 n GLY 76 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2d93 n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d93 s LYS 77 N 0.00 1.98 -0.19 1.61 2.20 -1.26 -4.97 119.74 119.12 2d93 s LYS 77 Ca 0.00 -1.02 -0.02 0.00 -0.36 0.00 0.00 55.97 54.57 2d93 s LYS 77 Cb 0.00 -2.11 0.06 0.00 -1.51 0.00 0.00 37.83 34.26 2d93 s LYS 77 CO 0.00 0.53 0.01 0.08 -0.36 0.00 0.00 175.35 175.62 2d93 s VAL 78 N -0.87 0.71 0.55 4.02 1.01 -1.26 0.36 120.40 124.92 2d93 s VAL 78 Ca 0.13 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 2d93 s VAL 78 Cb -0.10 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 2d93 s VAL 78 CO 0.04 -0.14 0.94 -1.61 0.00 0.00 0.00 175.10 174.33 2d93 s GLU 79 N 1.78 3.65 -0.22 2.72 0.41 -0.48 -4.90 118.70 121.65 2d93 s GLU 79 Ca -0.01 0.61 -0.02 0.00 -0.41 0.00 0.00 54.97 55.14 2d93 s GLU 79 Cb -0.17 -2.19 0.07 0.00 -1.78 0.00 0.00 34.13 30.06 2d93 s GLU 79 CO -0.07 -0.39 0.04 0.54 -0.49 0.00 0.00 175.26 174.89 2d93 s ASN 80 N -3.92 3.26 0.15 -0.19 2.20 -1.26 -2.11 114.94 113.06 2d93 s ASN 80 Ca 0.53 -1.03 0.05 0.00 -0.94 0.00 0.00 52.86 51.47 2d93 s ASN 80 Cb -0.11 -0.71 -0.04 0.00 -2.00 0.00 0.00 41.25 38.39 2d93 s ASN 80 CO 0.47 -0.32 0.11 -0.76 -2.94 0.00 0.00 177.10 173.65 2d93 s LEU 81 N 1.76 3.74 0.19 3.54 1.43 -1.11 -5.07 118.68 123.16 2d93 s LEU 81 Ca 0.01 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2d93 s LEU 81 Cb -0.17 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 2d93 s LEU 81 CO -0.12 0.09 -0.03 -0.36 0.23 0.00 0.00 176.35 176.17 2d93 s PHE 82 N -1.66 1.35 -0.36 0.29 0.08 -1.26 -3.19 117.98 113.22 2d93 s PHE 82 Ca 0.30 -0.91 -0.36 0.00 0.12 0.00 0.00 56.93 56.08 2d93 s PHE 82 Cb -0.10 -0.75 -0.15 0.00 -0.57 0.00 0.00 43.02 41.44 2d93 s PHE 82 CO 0.22 -0.07 1.21 -0.12 -0.10 0.00 0.00 175.22 176.36 2d93 n MET 83 N -0.29 0.00 0.00 0.44 0.00 -1.23 -1.06 117.12 114.98 2d93 n MET 83 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.63 2d93 n MET 83 Cb 0.63 -1.15 0.00 0.00 0.00 0.00 0.00 33.22 32.70 2d93 n MET 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2d93 n GLY 84 N 2.97 2.22 3.60 -5.12 0.00 -1.05 -5.04 105.19 102.78 2d93 n GLY 84 Ca 0.23 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 2d93 n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d93 s ASN 85 N -0.29 2.17 0.09 1.61 -0.87 -0.23 -4.01 114.94 113.41 2d93 s ASN 85 Ca 0.00 1.75 0.04 0.00 -1.57 0.00 0.00 52.86 53.08 2d93 s ASN 85 Cb 0.00 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.25 38.82 2d93 s ASN 85 CO 0.00 -3.50 -0.11 -0.94 -2.57 0.00 0.00 177.10 169.98 2d93 s SER 86 N -2.76 1.46 0.07 -1.22 1.04 -1.26 -2.65 113.70 108.38 2d93 s SER 86 Ca 0.67 -0.73 -0.26 0.00 0.48 0.00 0.00 55.95 56.10 2d93 s SER 86 Cb -0.23 -0.01 0.08 0.00 0.10 0.00 0.00 66.02 65.97 2d93 s SER 86 CO 0.61 -0.20 0.69 0.72 0.98 0.00 0.00 173.24 176.03 2d93 s PHE 87 N -2.01 -0.52 0.00 5.02 -0.12 0.05 -5.00 117.98 115.39 2d93 s PHE 87 Ca 0.02 0.50 0.00 0.00 -0.05 0.00 0.00 56.93 57.40 2d93 s PHE 87 Cb -0.06 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 2d93 s PHE 87 CO 0.01 -0.72 0.00 0.41 -0.05 0.00 0.00 175.22 174.87 2d93 n GLY 88 N -0.02 1.30 3.30 1.99 0.00 -1.26 0.51 105.19 111.01 2d93 n GLY 88 Ca -0.16 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 2d93 n GLY 88 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2d93 s ILE 89 N 0.00 0.63 0.34 -0.61 -4.36 -1.23 -4.90 121.20 111.08 2d93 s ILE 89 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2d93 s ILE 89 Cb 0.00 -2.49 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 2d93 s ILE 89 CO 0.00 -0.14 0.54 0.42 0.24 0.00 0.00 174.94 176.00 2d93 s THR 90 N -3.70 5.10 -2.00 8.37 -4.23 -1.26 -4.79 115.64 113.13 2d93 s THR 90 Ca 0.34 -0.43 0.11 0.00 -1.18 0.00 0.00 61.69 60.53 2d93 s THR 90 Cb 0.07 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 70.38 2d93 s THR 90 CO 0.11 -0.53 1.10 -0.81 -0.54 0.00 0.00 174.62 173.94 2d93 n PRO 91 N -1.70 0.49 -3.83 3.99 -0.04 -1.26 -4.70 135.00 127.95 2d93 n PRO 91 Ca -0.05 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.05 2d93 n PRO 91 Cb 0.56 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 2d93 n PRO 91 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2d93 s THR 92 N -2.00 5.47 0.51 0.52 -4.23 -1.26 -3.99 115.64 110.66 2d93 s THR 92 Ca 0.17 0.20 0.43 0.00 -1.18 0.00 0.00 61.69 61.31 2d93 s THR 92 Cb 0.08 -3.42 0.64 0.00 1.34 0.00 0.00 72.50 71.14 2d93 s THR 92 CO 0.13 0.55 1.59 -0.07 -0.54 0.00 0.00 174.62 176.28 2d93 h LEU 93 N 5.59 0.08 -9.28 4.79 3.38 -1.93 -3.40 115.31 114.55 2d93 h LEU 93 Ca -0.50 0.06 -0.66 0.00 0.09 0.00 0.00 57.88 56.86 2d93 h LEU 93 Cb 1.20 0.06 0.04 0.00 0.09 0.00 0.00 40.66 42.04 2d93 h LEU 93 CO 0.64 -0.09 0.80 0.47 0.09 0.00 0.00 178.44 180.35 2d93 n ASP 94 N -4.25 2.55 -4.69 -0.43 8.00 -1.26 -4.96 116.55 111.51 2d93 n ASP 94 Ca 0.42 1.07 -0.27 0.00 0.71 0.00 0.00 54.79 56.71 2d93 n ASP 94 Cb 1.80 -1.26 0.11 0.00 -0.02 0.00 0.00 41.12 41.75 2d93 n ASP 94 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2d93 s LYS 95 N 2.26 1.68 0.15 -1.24 3.01 -1.26 -4.69 119.74 119.65 2d93 s LYS 95 Ca 0.89 -0.32 -0.15 0.00 -1.01 0.00 0.00 55.97 55.38 2d93 s LYS 95 Cb -0.88 -2.06 0.02 0.00 -1.01 0.00 0.00 37.83 33.91 2d93 s LYS 95 CO 0.52 -1.64 0.40 1.14 0.51 0.00 0.00 175.35 176.28 2d93 s GLN 96 N -5.47 1.16 -0.06 1.68 0.00 -1.26 -5.04 119.66 110.67 2d93 s GLN 96 Ca 0.65 -0.86 0.06 0.00 -0.00 0.00 0.00 55.36 55.21 2d93 s GLN 96 Cb -0.08 0.46 -0.01 0.00 0.00 0.00 0.00 33.01 33.38 2d93 s GLN 96 CO 0.48 -0.46 -0.24 0.71 0.00 0.00 0.00 175.29 175.78 2d93 s TYR 97 N -3.86 2.33 0.20 9.60 2.02 -1.26 -1.39 117.35 124.99 2d93 s TYR 97 Ca 0.07 -0.73 -0.32 0.00 -0.37 0.00 0.00 57.07 55.72 2d93 s TYR 97 Cb 0.01 -1.54 -0.12 0.00 -0.40 0.00 0.00 41.96 39.92 2d93 s TYR 97 CO -0.07 -0.24 1.74 1.41 -1.57 0.00 0.00 175.55 176.82 2d93 s MET 98 N -0.05 4.13 -0.46 -0.62 1.75 -0.84 -4.88 119.30 118.32 2d93 s MET 98 Ca -0.06 2.61 0.03 0.00 -1.25 0.00 0.00 55.69 57.02 2d93 s MET 98 Cb -0.14 -3.14 0.46 0.00 2.84 0.00 0.00 34.83 34.85 2d93 s MET 98 CO 0.04 -0.76 1.59 0.72 -0.65 0.00 0.00 175.02 175.96 2d93 n HIS 99 N 4.21 2.86 -0.66 4.11 8.25 -1.26 -0.65 115.22 132.07 2d93 n HIS 99 Ca 0.16 -2.53 0.00 0.00 -0.26 0.00 0.00 57.72 55.09 2d93 n HIS 99 Cb 0.36 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.62 2d93 n HIS 99 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d93 n GLY 100 N -0.84 -1.62 3.26 -1.41 0.00 -1.26 -4.40 105.19 98.92 2d93 n GLY 100 Ca 0.52 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 2d93 n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d93 s ILE 101 N -2.20 2.61 -0.06 -0.61 1.01 0.12 -2.04 121.20 120.03 2d93 s ILE 101 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 2d93 s ILE 101 Cb 0.00 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2d93 s ILE 101 CO 0.00 0.52 0.23 -0.69 0.00 0.00 0.00 174.94 175.00 2d93 s VAL 102 N 0.78 5.35 -0.16 2.92 1.01 -0.29 -0.17 120.40 129.84 2d93 s VAL 102 Ca -0.06 0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 2d93 s VAL 102 Cb -0.15 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.77 2d93 s VAL 102 CO 0.00 0.54 0.39 -0.13 0.00 0.00 0.00 175.10 175.90 2d93 s ARG 103 N -1.25 0.38 0.80 2.72 0.52 0.63 -1.63 118.95 121.12 2d93 s ARG 103 Ca 0.20 0.74 -0.14 0.00 -0.52 0.00 0.00 55.73 56.02 2d93 s ARG 103 Cb -0.13 -0.02 0.08 0.00 0.52 0.00 0.00 34.95 35.40 2d93 s ARG 103 CO 0.09 -0.15 1.22 0.95 0.02 0.00 0.00 175.30 177.43 2d93 s THR 104 N 1.29 2.02 -0.11 0.02 -4.23 -0.79 -0.05 115.64 113.78 2d93 s THR 104 Ca -0.09 0.01 0.15 0.00 -1.18 0.00 0.00 61.69 60.58 2d93 s THR 104 Cb -0.08 -2.46 -0.22 0.00 1.34 0.00 0.00 72.50 71.08 2d93 s THR 104 CO -0.11 -0.01 0.16 0.29 -0.54 0.00 0.00 174.62 174.42 2d93 n LYS 105 N -3.20 1.12 -4.34 3.99 4.76 0.89 -3.43 118.16 117.95 2d93 n LYS 105 Ca 0.14 -0.06 -0.18 0.00 -2.87 0.00 0.00 58.31 55.34 2d93 n LYS 105 Cb 0.50 -1.40 -0.10 0.00 -1.84 0.00 0.00 35.03 32.19 2d93 n LYS 105 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2d93 s VAL 106 N -2.65 0.60 0.80 -0.18 -7.23 -1.24 -4.74 120.40 105.75 2d93 s VAL 106 Ca -0.07 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.02 2d93 s VAL 106 Cb 0.07 -2.63 0.13 0.00 0.56 0.00 0.00 36.38 34.51 2d93 s VAL 106 CO 0.66 0.00 1.12 -1.81 -0.31 0.00 0.00 175.10 174.77 2d93 s ASP 107 N -3.35 4.04 -1.44 4.85 1.11 -1.26 -4.36 116.67 116.25 2d93 s ASP 107 Ca 0.37 0.13 -0.09 0.00 0.18 0.00 0.00 52.55 53.14 2d93 s ASP 107 Cb 0.07 -0.47 0.05 0.00 1.07 0.00 0.00 42.92 43.65 2d93 s ASP 107 CO 0.14 -2.10 0.92 0.47 1.18 0.00 0.00 175.17 175.78 2d93 n ASP 108 N -3.21 -3.81 -4.67 0.27 9.92 -1.13 -4.90 116.55 109.01 2d93 n ASP 108 Ca 0.13 -0.77 -0.40 0.00 -0.53 0.00 0.00 54.79 53.22 2d93 n ASP 108 Cb 0.60 -4.06 -0.05 0.00 -0.64 0.00 0.00 41.12 36.96 2d93 n ASP 108 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d93 s GLN 110 N 1.83 3.50 0.31 0.00 -0.21 -1.03 0.12 119.66 124.16 2d93 s GLN 110 Ca 0.31 -0.32 -0.12 0.00 0.02 0.00 0.00 55.36 55.25 2d93 s GLN 110 Cb -0.16 -2.99 0.01 0.00 1.00 0.00 0.00 33.01 30.88 2d93 s GLN 110 CO 0.11 0.57 0.57 -0.06 -2.12 0.00 0.00 175.29 174.36 2d93 s PHE 111 N -1.54 0.43 -0.08 0.91 0.08 0.31 -2.23 117.98 115.86 2d93 s PHE 111 Ca 0.36 -0.84 -0.07 0.00 0.12 0.00 0.00 56.93 56.51 2d93 s PHE 111 Cb -0.13 0.32 0.03 0.00 -0.57 0.00 0.00 43.02 42.67 2d93 s PHE 111 CO 0.26 -1.18 0.21 0.54 -0.10 0.00 0.00 175.22 174.95 2d93 s VAL 112 N -3.39 -0.01 -0.16 -0.44 0.11 -1.21 -2.86 120.40 112.44 2d93 s VAL 112 Ca 0.22 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2d93 s VAL 112 Cb -0.02 -0.31 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2d93 s VAL 112 CO 0.12 0.01 -0.12 0.00 -3.33 0.00 0.00 175.10 171.79 2d93 s ILE 114 N 0.81 1.48 0.56 0.00 1.01 -0.74 -0.29 121.20 124.04 2d93 s ILE 114 Ca -0.04 -0.67 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 2d93 s ILE 114 Cb -0.15 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 2d93 s ILE 114 CO 0.01 0.43 1.29 0.00 0.00 0.00 0.00 174.94 176.67 2d93 n ALA 115 N 3.85 1.32 0.45 9.38 0.00 -1.26 -0.47 120.51 133.78 2d93 n ALA 115 Ca -0.21 0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 2d93 n ALA 115 Cb 0.52 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 2d93 n ALA 115 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2d93 h GLN 116 N 1.21 -1.09 -0.76 0.00 4.15 -1.78 -0.38 115.11 116.46 2d93 h GLN 116 Ca -0.50 0.07 0.07 0.00 0.77 0.00 0.00 58.65 59.06 2d93 h GLN 116 Cb 1.32 0.25 -0.10 0.00 0.21 0.00 0.00 27.48 29.15 2d93 h GLN 116 CO 0.56 -0.72 -0.54 1.96 -1.93 0.00 0.00 178.83 178.16 2d93 h GLN 117 N -1.15 -0.10 0.00 1.69 7.50 -1.92 1.09 115.11 122.22 2d93 h GLN 117 Ca -0.12 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 2d93 h GLN 117 Cb 0.87 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.42 2d93 h GLN 117 CO 0.19 -0.07 -0.03 -0.44 -1.50 0.00 0.00 178.83 176.98 2d93 h ASP 118 N -0.11 0.00 1.65 1.46 5.19 -1.94 0.45 116.42 123.11 2d93 h ASP 118 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2d93 h ASP 118 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2d93 h ASP 118 CO -0.77 0.03 0.00 0.22 -3.12 0.00 0.00 179.24 175.59 2d93 h TYR 119 N 0.00 0.00 -0.08 4.55 3.20 0.28 -3.06 116.97 121.86 2d93 h TYR 119 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2d93 h TYR 119 Cb 0.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2d93 h TYR 119 CO 0.00 0.00 0.00 1.87 -1.64 0.00 0.00 178.16 178.39 2d93 n TRP 120 N -2.94 0.09 0.68 -3.82 -0.00 0.74 -4.11 117.44 108.09 2d93 n TRP 120 Ca 0.03 -0.08 0.08 0.00 -0.00 0.00 0.00 57.50 57.53 2d93 n TRP 120 Cb 0.45 -0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.65 2d93 n TRP 120 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 2d93 n ARG 121 N 0.70 1.21 -0.04 5.87 1.74 -0.24 -4.09 116.66 121.81 2d93 n ARG 121 Ca 0.08 -0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 57.09 2d93 n ARG 121 Cb 0.34 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 2d93 n ARG 121 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2d93 n ILE 122 N -1.51 0.90 -0.22 0.55 5.41 -1.17 -4.44 119.36 118.89 2d93 n ILE 122 Ca 0.02 0.27 -0.00 0.00 1.00 0.00 0.00 62.75 64.04 2d93 n ILE 122 Cb 0.30 -1.91 0.11 0.00 -0.71 0.00 0.00 39.64 37.42 2d93 n ILE 122 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2d93 h LEU 123 N -0.51 0.39 0.00 1.39 4.07 -1.84 -3.43 115.31 115.38 2d93 h LEU 123 Ca 0.00 0.06 -0.26 0.00 0.08 0.00 0.00 57.88 57.75 2d93 h LEU 123 Cb 0.51 -0.01 0.10 0.00 1.08 0.00 0.00 40.66 42.35 2d93 h LEU 123 CO 0.00 0.24 0.24 0.59 -1.08 0.00 0.00 178.44 178.43 2d93 n ASN 124 N -4.89 0.14 -3.49 -0.43 3.02 -1.26 -5.01 115.26 103.33 2d93 n ASN 124 Ca 0.09 -1.33 -0.33 0.00 -0.03 0.00 0.00 54.58 52.97 2d93 n ASN 124 Cb 0.24 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 2d93 n ASN 124 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2d93 n HIS 125 N -3.03 3.24 -2.40 3.10 8.25 -1.26 -4.83 115.22 118.28 2d93 n HIS 125 Ca 0.10 -3.44 -0.30 0.00 -0.26 0.00 0.00 57.72 53.81 2d93 n HIS 125 Cb 0.35 -0.83 -0.01 0.00 1.12 0.00 0.00 29.99 30.62 2d93 n HIS 125 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2d93 s VAL 126 N -3.35 4.72 0.15 1.59 1.01 -1.26 -4.96 120.40 118.30 2d93 s VAL 126 Ca 0.40 0.77 -0.21 0.00 0.00 0.00 0.00 61.98 62.93 2d93 s VAL 126 Cb 0.16 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2d93 s VAL 126 CO -0.03 -0.82 1.26 -0.62 0.00 0.00 0.00 175.10 174.89 2d93 n GLU 127 N -2.00 -0.30 -2.64 2.72 1.02 -1.26 -3.74 120.64 114.44 2d93 n GLU 127 Ca 0.04 1.24 -0.43 0.00 -0.02 0.00 0.00 57.16 57.99 2d93 n GLU 127 Cb 0.54 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 2d93 n GLU 127 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2d93 s LYS 128 N -5.54 3.76 0.08 3.49 -0.14 -1.26 -4.93 119.74 115.19 2d93 s LYS 128 Ca -0.10 0.60 -0.32 0.00 -1.36 0.00 0.00 55.97 54.78 2d93 s LYS 128 Cb 0.12 -3.88 -0.18 0.00 -1.68 0.00 0.00 37.83 32.21 2d93 s LYS 128 CO 0.53 -1.28 1.62 0.77 -0.76 0.00 0.00 175.35 176.24 2d93 h SER 129 N 9.01 -0.81 -1.74 2.83 0.02 -1.83 -3.45 113.55 117.58 2d93 h SER 129 Ca -0.23 0.04 -0.60 0.00 -0.84 0.00 0.00 61.79 60.16 2d93 h SER 129 Cb 1.06 0.23 -0.11 0.00 0.14 0.00 0.00 62.40 63.72 2d93 h SER 129 CO 1.10 -0.54 -0.58 -0.83 -1.14 0.00 0.00 176.83 174.84 2d93 s GLY 130 N -2.10 2.31 0.40 -3.77 0.00 -1.26 -4.53 107.32 98.37 2d93 s GLY 130 Ca -0.17 -2.14 -0.25 0.00 0.00 0.00 0.00 44.72 42.15 2d93 s GLY 130 CO 0.62 -1.99 1.19 2.56 0.00 0.00 0.00 173.10 175.48 2d93 s PRO 131 N -3.76 4.05 -0.58 2.90 0.04 -1.26 -4.98 135.00 131.41 2d93 s PRO 131 Ca 0.36 1.89 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 2d93 s PRO 131 Cb 0.05 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 31.94 2d93 s PRO 131 CO 0.19 -0.34 0.93 -1.12 0.04 0.00 0.00 177.00 176.70 2d93 s SER 132 N -1.06 6.28 -0.48 6.66 0.01 -1.26 -4.97 113.70 118.88 2d93 s SER 132 Ca 0.57 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.30 2d93 s SER 132 Cb -0.32 -2.42 0.13 0.00 0.21 0.00 0.00 66.02 63.62 2d93 s SER 132 CO 0.40 -1.27 0.25 -0.94 0.41 0.00 0.00 173.24 172.09 2d93 s SER 133 N 3.06 3.98 0.00 2.44 1.04 -1.26 -5.24 113.70 117.72 2d93 s SER 133 Ca 0.27 -2.80 0.00 0.00 0.48 0.00 0.00 55.95 53.90 2d93 s SER 133 Cb -0.14 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.65 2d93 s SER 133 CO 0.16 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.74