#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d72 n HIS 37 N 0.00 0.46 -1.79 2.03 8.25 -1.26 -5.12 115.22 117.79 3d72 n HIS 37 Ca 0.00 -2.84 -0.41 0.00 -0.26 0.00 0.00 57.72 54.21 3d72 n HIS 37 Cb 0.00 -0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.02 3d72 n HIS 37 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3d72 s THR 38 N -2.53 2.03 0.06 1.59 2.01 -1.26 -5.02 115.64 112.51 3d72 s THR 38 Ca 0.28 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.34 3d72 s THR 38 Cb 0.43 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3d72 s THR 38 CO 0.00 0.01 0.06 -0.76 -0.69 0.00 0.00 174.62 173.24 3d72 s LEU 39 N -2.32 3.73 -0.04 4.42 1.43 -1.26 -5.01 118.68 119.62 3d72 s LEU 39 Ca 0.56 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 3d72 s LEU 39 Cb -0.46 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 3d72 s LEU 39 CO 0.61 0.20 -0.24 -0.31 0.23 0.00 0.00 176.35 176.85 3d72 s TYR 40 N -1.30 2.43 -0.05 0.29 1.51 -1.26 -5.03 117.35 113.93 3d72 s TYR 40 Ca 0.26 -0.54 -0.33 0.00 -1.01 0.00 0.00 57.07 55.46 3d72 s TYR 40 Cb -0.12 -1.56 -0.11 0.00 -0.11 0.00 0.00 41.96 40.06 3d72 s TYR 40 CO 0.18 -0.10 1.92 0.00 -1.11 0.00 0.00 175.55 176.45 3d72 n ALA 41 N 2.67 1.14 -1.85 3.71 0.00 -1.26 -4.92 120.51 120.00 3d72 n ALA 41 Ca -0.17 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 3d72 n ALA 41 Cb 0.52 -2.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.37 3d72 n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d72 s PRO 42 N 4.27 4.36 0.00 0.00 0.04 -1.26 -0.99 135.00 141.43 3d72 s PRO 42 Ca 0.92 2.17 0.00 0.00 0.04 0.00 0.00 61.00 64.12 3d72 s PRO 42 Cb -0.60 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 30.83 3d72 s PRO 42 CO 0.48 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.71 3d72 n GLY 43 N 1.47 3.42 2.78 0.56 0.00 -1.26 -4.97 105.19 107.20 3d72 n GLY 43 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3d72 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d72 n GLY 44 N -1.79 -2.14 3.67 -0.02 0.00 -0.16 -4.99 105.19 99.77 3d72 n GLY 44 Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3d72 n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d72 s TYR 45 N -0.17 2.98 -1.60 1.61 1.51 -1.26 -4.84 117.35 115.58 3d72 s TYR 45 Ca 0.00 -0.01 -0.10 0.00 -1.01 0.00 0.00 57.07 55.94 3d72 s TYR 45 Cb 0.00 -1.56 -0.07 0.00 -0.11 0.00 0.00 41.96 40.21 3d72 s TYR 45 CO 0.00 0.46 2.87 -3.47 -1.11 0.00 0.00 175.55 174.30 3d72 n ASP 46 N 0.82 8.14 -0.27 2.29 2.03 -1.26 -4.70 116.55 123.62 3d72 n ASP 46 Ca -0.12 -2.61 -0.01 0.00 0.52 0.00 0.00 54.79 52.57 3d72 n ASP 46 Cb 0.52 -1.57 0.11 0.00 -0.72 0.00 0.00 41.12 39.46 3d72 n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3d72 h ILE 47 N 3.13 1.04 -0.36 5.18 1.08 -1.99 -0.71 117.51 124.88 3d72 h ILE 47 Ca 0.84 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 65.00 3d72 h ILE 47 Cb 0.33 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 3d72 h ILE 47 CO 1.80 0.16 0.15 0.24 -0.69 0.00 0.00 178.15 179.80 3d72 h MET 48 N 0.85 0.54 -0.78 2.37 2.86 -2.00 -0.74 114.93 118.03 3d72 h MET 48 Ca 0.32 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3d72 h MET 48 Cb 0.13 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3d72 h MET 48 CO -0.16 0.52 0.46 0.78 1.06 0.00 0.00 176.91 179.58 3d72 h GLY 49 N 0.44 1.13 1.59 8.32 0.00 -1.84 -1.15 103.07 111.56 3d72 h GLY 49 Ca 0.12 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3d72 h GLY 49 CO -0.01 0.46 -0.47 -0.97 0.00 0.00 0.00 176.54 175.54 3d72 h TYR 50 N 1.07 0.54 -0.52 5.60 0.05 -0.81 0.06 116.97 122.96 3d72 h TYR 50 Ca 0.28 -0.17 -0.10 0.00 0.05 0.00 0.00 58.73 58.79 3d72 h TYR 50 Cb -0.03 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3d72 h TYR 50 CO 0.00 0.83 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.81 3d72 h LEU 51 N 0.35 0.97 -0.59 3.88 3.38 -0.58 -0.25 115.31 122.46 3d72 h LEU 51 Ca 0.02 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3d72 h LEU 51 Cb 0.97 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3d72 h LEU 51 CO 0.08 1.08 0.20 0.40 0.09 0.00 0.00 178.44 180.29 3d72 h ILE 52 N 0.84 1.24 -0.61 1.22 2.04 -1.01 -0.92 117.51 120.30 3d72 h ILE 52 Ca 0.14 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3d72 h ILE 52 Cb 0.62 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3d72 h ILE 52 CO 0.04 0.30 0.39 -0.61 0.00 0.00 0.00 178.15 178.26 3d72 h GLN 53 N 0.83 0.75 -0.15 2.37 4.15 -0.63 -1.12 115.11 121.30 3d72 h GLN 53 Ca 0.19 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 3d72 h GLN 53 Cb 0.26 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3d72 h GLN 53 CO -0.01 0.49 0.05 0.82 -1.93 0.00 0.00 178.83 178.25 3d72 h ILE 54 N 0.77 1.19 0.00 2.39 2.04 -0.68 -1.52 117.51 121.69 3d72 h ILE 54 Ca 0.24 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3d72 h ILE 54 Cb -0.01 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3d72 h ILE 54 CO -0.09 0.18 -0.06 0.24 0.00 0.00 0.00 178.15 178.42 3d72 h MET 55 N 0.07 0.00 -0.09 2.37 2.86 -0.92 -2.62 114.93 116.60 3d72 h MET 55 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3d72 h MET 55 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3d72 h MET 55 CO -0.00 0.06 0.00 0.09 1.06 0.00 0.00 176.91 178.12 3d72 n ASN 56 N -3.31 3.01 -4.73 1.22 3.02 -0.45 -4.99 115.26 109.04 3d72 n ASN 56 Ca -0.01 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.14 3d72 n ASN 56 Cb 0.24 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 3d72 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d72 s ARG 57 N -1.92 4.13 0.14 3.52 1.70 -0.60 -4.94 118.95 120.99 3d72 s ARG 57 Ca 0.30 2.59 -0.18 0.00 -0.47 0.00 0.00 55.73 57.98 3d72 s ARG 57 Cb 0.21 -3.06 0.03 0.00 -0.57 0.00 0.00 34.95 31.55 3d72 s ARG 57 CO 0.30 -0.71 1.73 -1.00 -1.08 0.00 0.00 175.30 174.54 3d72 h PRO 58 N 6.17 0.15 -2.27 3.89 0.13 -1.91 -3.35 132.00 134.80 3d72 h PRO 58 Ca -0.44 -0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 3d72 h PRO 58 Cb 1.21 -0.03 -0.41 0.00 0.13 0.00 0.00 31.00 31.90 3d72 h PRO 58 CO 0.90 0.10 -0.49 0.09 -0.23 0.00 0.00 178.00 178.38 3d72 n ASN 59 N -5.10 4.32 -4.71 1.44 3.02 -1.26 -5.07 115.26 107.91 3d72 n ASN 59 Ca -0.00 -3.55 -0.42 0.00 -0.03 0.00 0.00 54.58 50.57 3d72 n ASN 59 Cb 0.13 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.60 3d72 n ASN 59 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3d72 s PRO 60 N -2.97 4.13 0.07 3.52 0.04 -1.26 -4.87 135.00 133.67 3d72 s PRO 60 Ca 0.43 2.59 0.23 0.00 0.04 0.00 0.00 61.00 64.29 3d72 s PRO 60 Cb 0.20 -3.23 0.13 0.00 0.04 0.00 0.00 34.50 31.64 3d72 s PRO 60 CO -0.06 -0.77 1.11 1.04 0.04 0.00 0.00 177.00 178.36 3d72 n GLN 61 N 4.48 0.30 -3.79 4.56 1.13 -1.26 -4.84 117.38 117.97 3d72 n GLN 61 Ca 0.16 0.02 -0.14 0.00 -1.94 0.00 0.00 57.00 55.11 3d72 n GLN 61 Cb 0.36 -1.62 -0.15 0.00 0.11 0.00 0.00 30.24 28.94 3d72 n GLN 61 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3d72 s VAL 62 N -3.20 -0.04 -0.06 5.09 -7.23 -1.26 -5.08 120.40 108.62 3d72 s VAL 62 Ca 0.04 0.14 -0.25 0.00 -1.81 0.00 0.00 61.98 60.10 3d72 s VAL 62 Cb 0.14 -0.14 -0.03 0.00 0.56 0.00 0.00 36.38 36.91 3d72 s VAL 62 CO 0.78 0.06 0.75 -1.61 -0.31 0.00 0.00 175.10 174.77 3d72 s GLU 63 N 0.78 4.44 -0.05 4.82 8.01 -1.26 -4.92 118.70 130.52 3d72 s GLU 63 Ca -0.06 0.97 0.09 0.00 0.01 0.00 0.00 54.97 55.99 3d72 s GLU 63 Cb -0.09 -3.46 -0.14 0.00 -4.31 0.00 0.00 34.13 26.13 3d72 s GLU 63 CO -0.03 0.01 0.13 -0.11 0.01 0.00 0.00 175.26 175.27 3d72 n LEU 64 N 3.92 0.00 0.00 1.80 7.94 -1.26 -5.12 117.00 124.28 3d72 n LEU 64 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.92 3d72 n LEU 64 Cb 0.51 0.12 -0.00 0.00 0.53 0.00 0.00 43.42 44.57 3d72 n LEU 64 CO 0.48 0.12 -0.02 0.61 -1.11 0.00 0.00 177.39 177.47 3d72 n GLY 65 N 2.16 -2.24 3.77 -3.96 0.00 -1.26 -4.83 105.19 98.84 3d72 n GLY 65 Ca -0.09 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 3d72 n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d72 s PRO 66 N -1.05 4.23 0.06 1.61 0.04 -1.26 -4.99 135.00 133.63 3d72 s PRO 66 Ca 0.00 2.37 0.02 0.00 0.04 0.00 0.00 61.00 63.43 3d72 s PRO 66 Cb 0.00 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 3d72 s PRO 66 CO 0.00 -0.35 -0.08 0.14 0.04 0.00 0.00 177.00 176.75 3d72 s VAL 67 N -1.14 0.59 0.35 -0.36 -7.23 -1.26 -5.15 120.40 106.20 3d72 s VAL 67 Ca 0.51 -1.30 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 3d72 s VAL 67 Cb -0.43 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 3d72 s VAL 67 CO 0.57 -0.50 0.42 1.51 -0.31 0.00 0.00 175.10 176.80 3d72 s ASP 68 N -1.95 1.21 0.00 4.85 1.47 -1.26 -4.96 116.67 116.04 3d72 s ASP 68 Ca -0.04 -1.60 0.13 0.00 1.18 0.00 0.00 52.55 52.22 3d72 s ASP 68 Cb -0.06 0.64 0.70 0.00 -0.34 0.00 0.00 42.92 43.86 3d72 s ASP 68 CO -0.01 -1.24 1.25 0.35 0.68 0.00 0.00 175.17 176.20 3d72 n THR 69 N -0.60 0.31 0.36 2.11 -2.24 -1.26 -2.68 114.28 110.28 3d72 n THR 69 Ca 0.03 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 3d72 n THR 69 Cb 0.62 -0.88 0.16 0.00 -2.10 0.00 0.00 70.33 68.13 3d72 n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3d72 h SER 70 N 0.00 0.00 -4.53 3.42 4.64 -2.03 -3.46 113.55 111.59 3d72 h SER 70 Ca 0.00 -0.06 -0.47 0.00 -0.47 0.00 0.00 61.79 60.79 3d72 h SER 70 Cb 0.05 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.24 3d72 h SER 70 CO 0.00 0.03 0.39 0.68 -0.87 0.00 0.00 176.83 177.06 3d72 s VAL 71 N -3.22 2.09 -0.25 0.95 -7.23 -1.09 -4.67 120.40 106.98 3d72 s VAL 71 Ca 0.05 -0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 59.93 3d72 s VAL 71 Cb 0.10 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 34.02 3d72 s VAL 71 CO 0.71 -0.03 1.16 0.00 -0.31 0.00 0.00 175.10 176.63 3d72 s ALA 72 N -3.54 3.57 0.11 1.32 0.00 -1.26 -4.52 121.76 117.44 3d72 s ALA 72 Ca 0.62 0.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 3d72 s ALA 72 Cb -0.11 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.39 3d72 s ALA 72 CO 0.49 -1.34 0.33 -0.48 0.00 0.00 0.00 175.76 174.76 3d72 s LEU 73 N 3.63 0.72 0.04 0.00 0.05 -1.26 -2.14 118.68 119.72 3d72 s LEU 73 Ca 0.49 -0.39 -0.05 0.00 0.05 0.00 0.00 54.13 54.23 3d72 s LEU 73 Cb -0.16 1.58 -0.01 0.00 -2.05 0.00 0.00 46.19 45.54 3d72 s LEU 73 CO 0.14 -0.80 0.08 0.27 -0.55 0.00 0.00 176.35 175.50 3d72 s ILE 74 N -3.69 0.14 -0.08 1.48 -4.36 -0.32 -1.06 121.20 113.31 3d72 s ILE 74 Ca 0.03 -1.18 0.04 0.00 -0.26 0.00 0.00 60.65 59.28 3d72 s ILE 74 Cb 0.02 -0.97 0.00 0.00 1.25 0.00 0.00 42.46 42.76 3d72 s ILE 74 CO -0.11 -0.65 -0.21 -0.22 0.24 0.00 0.00 174.94 174.00 3d72 s LEU 75 N -2.24 1.97 0.08 0.37 2.96 -0.01 -0.63 118.68 121.17 3d72 s LEU 75 Ca -0.03 -0.48 0.09 0.00 -0.22 0.00 0.00 54.13 53.49 3d72 s LEU 75 Cb 0.00 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 3d72 s LEU 75 CO -0.06 0.14 -0.21 0.00 -1.32 0.00 0.00 176.35 174.90 3d72 s ASP 77 N -1.72 6.29 0.59 0.00 -1.08 -0.20 -1.54 116.67 119.01 3d72 s ASP 77 Ca 0.15 -0.46 0.37 0.00 -0.52 0.00 0.00 52.55 52.09 3d72 s ASP 77 Cb -0.10 -2.30 1.71 0.00 -1.46 0.00 0.00 42.92 40.77 3d72 s ASP 77 CO 0.06 -0.74 2.11 -0.07 0.52 0.00 0.00 175.17 177.05 3d72 h LEU 78 N 9.55 0.00 -2.69 -1.34 3.38 -1.29 -3.01 115.31 119.90 3d72 h LEU 78 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3d72 h LEU 78 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3d72 h LEU 78 CO 0.87 0.01 0.00 0.29 0.09 0.00 0.00 178.44 179.71 3d72 n LYS 79 N -3.13 2.91 -4.39 1.13 4.01 -1.25 -4.78 118.16 112.67 3d72 n LYS 79 Ca -0.01 -2.58 -0.25 0.00 -0.51 0.00 0.00 58.31 54.96 3d72 n LYS 79 Cb 0.23 -1.64 -0.10 0.00 -0.51 0.00 0.00 35.03 33.01 3d72 n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3d72 s GLN 80 N -1.29 1.81 -0.10 1.97 -0.21 -1.14 -5.07 119.66 115.64 3d72 s GLN 80 Ca 0.47 -1.55 -0.36 0.00 0.02 0.00 0.00 55.36 53.94 3d72 s GLN 80 Cb 0.26 -1.93 -0.14 0.00 1.00 0.00 0.00 33.01 32.20 3d72 s GLN 80 CO 0.29 0.37 1.74 1.17 -2.12 0.00 0.00 175.29 176.75 3d72 n LYS 81 N -0.30 1.73 -3.01 2.91 4.81 -1.26 -2.28 118.16 120.76 3d72 n LYS 81 Ca -0.08 0.63 -0.19 0.00 -0.87 0.00 0.00 58.31 57.79 3d72 n LYS 81 Cb 0.58 -2.39 0.04 0.00 0.02 0.00 0.00 35.03 33.28 3d72 n LYS 81 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3d72 n ASP 82 N 5.35 -5.50 -3.81 3.14 2.03 -1.26 -4.11 116.55 112.39 3d72 n ASP 82 Ca 0.23 -0.29 -0.30 0.00 0.52 0.00 0.00 54.79 54.95 3d72 n ASP 82 Cb 0.23 -4.29 0.01 0.00 -0.72 0.00 0.00 41.12 36.34 3d72 n ASP 82 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3d72 n THR 83 N -4.39 -2.53 -2.38 5.18 -1.04 -0.97 -4.41 114.28 103.74 3d72 n THR 83 Ca -0.08 -0.23 -0.35 0.00 -2.04 0.00 0.00 64.05 61.36 3d72 n THR 83 Cb 0.59 -2.22 -0.02 0.00 -1.82 0.00 0.00 70.33 66.87 3d72 n THR 83 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3d72 s PRO 84 N -5.71 3.62 0.01 -2.82 0.04 -1.25 -4.56 135.00 124.33 3d72 s PRO 84 Ca 0.19 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 3d72 s PRO 84 Cb -0.10 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 3d72 s PRO 84 CO 0.80 -0.62 1.38 0.42 0.04 0.00 0.00 177.00 179.03 3d72 s ILE 85 N -1.81 3.72 -0.33 0.56 1.01 -0.07 -1.03 121.20 123.24 3d72 s ILE 85 Ca 0.69 1.13 0.05 0.00 0.00 0.00 0.00 60.65 62.51 3d72 s ILE 85 Cb -0.22 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3d72 s ILE 85 CO 0.25 0.01 0.31 1.33 0.00 0.00 0.00 174.94 176.85 3d72 n VAL 86 N 4.54 0.00 -3.69 2.92 0.24 0.57 -0.57 118.33 122.35 3d72 n VAL 86 Ca 0.13 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.34 61.90 3d72 n VAL 86 Cb 0.44 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.74 3d72 n VAL 86 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3d72 s TYR 87 N -1.23 -0.66 -0.03 6.34 6.14 -1.06 -4.97 117.35 121.87 3d72 s TYR 87 Ca 0.03 1.50 0.01 0.00 0.64 0.00 0.00 57.07 59.25 3d72 s TYR 87 Cb 0.04 0.28 0.03 0.00 0.42 0.00 0.00 41.96 42.73 3d72 s TYR 87 CO 0.17 -0.33 -0.01 0.00 0.64 0.00 0.00 175.55 176.01 3d72 s ALA 88 N 0.75 0.44 0.64 3.97 0.00 -1.26 -0.83 121.76 125.47 3d72 s ALA 88 Ca -0.04 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 3d72 s ALA 88 Cb -0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3d72 s ALA 88 CO -0.06 -0.06 1.05 -1.54 0.00 0.00 0.00 175.76 175.16 3d72 s SER 89 N 0.99 5.64 0.48 0.00 1.04 -0.22 -4.90 113.70 116.73 3d72 s SER 89 Ca -0.10 1.71 0.13 0.00 0.48 0.00 0.00 55.95 58.17 3d72 s SER 89 Cb -0.14 -2.51 1.12 0.00 0.10 0.00 0.00 66.02 64.58 3d72 s SER 89 CO -0.01 -1.26 2.11 -0.33 0.98 0.00 0.00 173.24 174.73 3d72 h GLU 90 N -0.07 0.19 -0.13 4.02 5.08 -1.88 -1.59 114.58 120.20 3d72 h GLU 90 Ca -0.45 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 3d72 h GLU 90 Cb 1.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3d72 h GLU 90 CO 0.57 0.13 -0.35 0.00 -1.00 0.00 0.00 179.01 178.37 3d72 h ALA 91 N 1.90 1.16 -0.29 3.43 0.00 -1.83 -0.64 119.26 122.99 3d72 h ALA 91 Ca 0.05 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3d72 h ALA 91 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3d72 h ALA 91 CO -0.01 0.55 -0.27 0.35 0.00 0.00 0.00 179.25 179.87 3d72 h PHE 92 N 0.24 0.84 -0.71 0.00 3.57 -1.56 -0.61 116.94 118.71 3d72 h PHE 92 Ca 0.03 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.21 3d72 h PHE 92 Cb 0.73 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 3d72 h PHE 92 CO 0.01 0.99 0.18 -0.07 -2.23 0.00 0.00 178.31 177.19 3d72 h LEU 93 N 0.45 1.07 -0.20 0.59 3.38 -1.19 -1.65 115.31 117.77 3d72 h LEU 93 Ca 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3d72 h LEU 93 Cb 0.84 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3d72 h LEU 93 CO 0.07 1.02 0.01 0.22 0.09 0.00 0.00 178.44 179.84 3d72 h TYR 94 N 1.08 0.38 -0.43 1.13 -0.00 -1.05 0.53 116.97 118.61 3d72 h TYR 94 Ca 0.22 -0.06 0.04 0.00 -0.00 0.00 0.00 58.73 58.93 3d72 h TYR 94 Cb 0.36 -0.10 -0.04 0.00 -0.00 0.00 0.00 36.73 36.96 3d72 h TYR 94 CO 0.03 0.53 0.20 1.98 -0.00 0.00 0.00 178.16 180.91 3d72 h MET 95 N 0.11 0.40 0.00 1.82 4.05 -0.94 -3.13 114.93 117.24 3d72 h MET 95 Ca 0.06 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3d72 h MET 95 Cb 0.38 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 3d72 h MET 95 CO 0.01 0.26 -0.59 1.79 0.23 0.00 0.00 176.91 178.61 3d72 h THR 96 N 0.41 0.00 0.00 -0.77 1.35 -1.29 -3.47 112.91 109.14 3d72 h THR 96 Ca 0.19 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3d72 h THR 96 Cb 0.11 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3d72 h THR 96 CO -0.14 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.74 3d72 n GLY 97 N 1.16 0.97 3.92 5.82 0.00 0.17 -0.49 105.19 116.74 3d72 n GLY 97 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3d72 n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d72 s TYR 98 N -3.51 3.48 0.51 1.61 1.51 -1.18 -4.69 117.35 115.07 3d72 s TYR 98 Ca 0.00 0.48 0.03 0.00 -1.01 0.00 0.00 57.07 56.56 3d72 s TYR 98 Cb 0.00 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3d72 s TYR 98 CO 0.00 0.24 0.71 -1.54 -1.11 0.00 0.00 175.55 173.85 3d72 s SER 99 N -3.34 5.43 0.20 2.29 1.04 -1.26 -4.61 113.70 113.45 3d72 s SER 99 Ca 0.41 -0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 3d72 s SER 99 Cb -0.11 -0.92 0.20 0.00 0.10 0.00 0.00 66.02 65.30 3d72 s SER 99 CO 0.31 -1.00 1.79 0.78 0.98 0.00 0.00 173.24 176.10 3d72 h ASN 100 N 0.24 0.42 -0.20 7.02 2.35 -1.97 -1.50 115.58 121.94 3d72 h ASN 100 Ca -0.42 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 3d72 h ASN 100 Cb 1.29 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 3d72 h ASN 100 CO 0.51 0.28 0.13 0.00 -1.65 0.00 0.00 177.43 176.71 3d72 h ALA 101 N 1.33 1.86 0.00 -0.83 0.00 -1.94 -0.82 119.26 118.86 3d72 h ALA 101 Ca 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3d72 h ALA 101 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3d72 h ALA 101 CO -0.19 0.13 -0.40 0.93 0.00 0.00 0.00 179.25 179.71 3d72 h GLU 102 N 0.27 0.00 0.00 0.00 5.08 -1.68 -3.39 114.58 114.87 3d72 h GLU 102 Ca 0.08 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.15 3d72 h GLU 102 Cb -0.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3d72 h GLU 102 CO -0.02 0.19 -2.08 1.33 -1.00 0.00 0.00 179.01 177.43 3d72 n VAL 103 N -3.07 1.09 -1.74 3.13 0.24 -0.82 -4.92 118.33 112.24 3d72 n VAL 103 Ca 0.02 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.34 61.36 3d72 n VAL 103 Cb 0.62 -0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 32.08 3d72 n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3d72 n LEU 104 N -2.82 4.32 0.00 1.34 4.32 -0.36 -2.59 117.00 121.21 3d72 n LEU 104 Ca -0.30 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.82 3d72 n LEU 104 Cb 0.93 -1.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.14 3d72 n LEU 104 CO 0.26 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 3d72 n GLY 105 N 2.60 0.91 3.62 -0.72 0.00 0.27 -4.96 105.19 106.92 3d72 n GLY 105 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3d72 n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d72 s ARG 106 N -0.48 2.22 0.25 1.61 0.52 -1.07 -4.67 118.95 117.33 3d72 s ARG 106 Ca 0.00 -1.46 -0.28 0.00 -0.52 0.00 0.00 55.73 53.47 3d72 s ARG 106 Cb 0.00 -2.11 -0.09 0.00 0.52 0.00 0.00 34.95 33.27 3d72 s ARG 106 CO 0.00 0.36 0.91 1.21 0.02 0.00 0.00 175.30 177.80 3d72 s ASN 107 N -3.65 7.52 0.00 0.23 3.84 -1.26 -0.89 114.94 120.72 3d72 s ASN 107 Ca 0.31 1.86 0.08 0.00 0.21 0.00 0.00 52.86 55.32 3d72 s ASN 107 Cb -0.06 -2.58 0.35 0.00 -0.55 0.00 0.00 41.25 38.41 3d72 s ASN 107 CO 0.19 0.11 1.18 0.00 -2.79 0.00 0.00 177.10 175.78 3d72 n ARG 109 N -1.39 0.12 0.32 0.00 1.85 -1.26 -2.24 116.66 114.06 3d72 n ARG 109 Ca 0.03 0.59 0.20 0.00 -1.00 0.00 0.00 57.85 57.67 3d72 n ARG 109 Cb 0.07 -1.87 1.12 0.00 -1.05 0.00 0.00 32.46 30.73 3d72 n ARG 109 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3d72 h PHE 110 N 0.00 0.00 0.00 2.89 -5.15 -1.85 0.16 116.94 112.99 3d72 h PHE 110 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3d72 h PHE 110 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.22 3d72 h PHE 110 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 3d72 n LEU 111 N -3.31 0.39 0.00 2.10 4.77 -0.95 -2.92 117.00 117.08 3d72 n LEU 111 Ca -0.03 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.68 3d72 n LEU 111 Cb 0.09 -0.53 0.79 0.00 -2.33 0.00 0.00 43.42 41.44 3d72 n LEU 111 CO 0.22 -0.40 0.99 0.00 -1.33 0.00 0.00 177.39 176.87 3d72 n GLN 112 N -1.93 0.76 -4.39 3.23 6.02 0.04 -0.41 117.38 120.71 3d72 n GLN 112 Ca 0.03 0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 3d72 n GLN 112 Cb 0.22 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.83 3d72 n GLN 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3d72 s SER 113 N -2.14 1.18 0.20 1.08 0.15 -1.15 -4.73 113.70 108.30 3d72 s SER 113 Ca 0.38 -0.22 0.20 0.00 0.70 0.00 0.00 55.95 57.01 3d72 s SER 113 Cb 0.19 -0.12 0.87 0.00 -1.71 0.00 0.00 66.02 65.25 3d72 s SER 113 CO 0.34 0.10 1.60 -0.81 1.20 0.00 0.00 173.24 175.67 3d72 n PRO 114 N 2.70 0.13 -0.15 5.44 -0.04 -1.26 -1.05 135.00 140.77 3d72 n PRO 114 Ca -0.14 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 3d72 n PRO 114 Cb 0.56 -1.79 0.16 0.00 -0.04 0.00 0.00 33.50 32.39 3d72 n PRO 114 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3d72 n ASP 115 N -2.05 2.93 -1.79 3.54 3.85 -1.26 -4.34 116.55 117.43 3d72 n ASP 115 Ca 0.01 -1.87 -0.20 0.00 -0.71 0.00 0.00 54.79 52.02 3d72 n ASP 115 Cb 0.16 -0.20 -0.06 0.00 -1.35 0.00 0.00 41.12 39.66 3d72 n ASP 115 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d72 n GLY 116 N 0.92 1.17 3.09 6.12 0.00 -0.21 -4.96 105.19 111.32 3d72 n GLY 116 Ca 0.14 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3d72 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d72 s MET 117 N -4.12 1.93 -0.21 1.61 -1.94 -1.26 -4.78 119.30 110.51 3d72 s MET 117 Ca 0.00 -1.90 -0.02 0.00 -1.71 0.00 0.00 55.69 52.06 3d72 s MET 117 Cb 0.00 -3.51 0.07 0.00 2.01 0.00 0.00 34.83 33.40 3d72 s MET 117 CO 0.00 -1.05 0.04 0.08 -0.01 0.00 0.00 175.02 174.08 3d72 s VAL 118 N 0.98 0.60 0.32 -6.03 1.01 -1.26 -4.84 120.40 111.18 3d72 s VAL 118 Ca 0.10 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 3d72 s VAL 118 Cb -0.22 -1.15 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 3d72 s VAL 118 CO -0.05 -0.28 0.98 -0.54 0.00 0.00 0.00 175.10 175.21 3d72 s LYS 119 N 1.81 4.54 0.46 2.72 -0.14 -1.26 -4.79 119.74 123.09 3d72 s LYS 119 Ca 0.00 1.44 -0.25 0.00 -1.36 0.00 0.00 55.97 55.80 3d72 s LYS 119 Cb -0.17 -2.85 -0.08 0.00 -1.68 0.00 0.00 37.83 33.04 3d72 s LYS 119 CO -0.11 0.22 1.42 -2.30 -0.76 0.00 0.00 175.35 173.82 3d72 n PRO 120 N 0.63 2.20 -0.23 -1.68 -0.02 -1.26 -2.08 135.00 132.56 3d72 n PRO 120 Ca 0.02 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3d72 n PRO 120 Cb 0.49 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3d72 n PRO 120 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3d72 n LYS 121 N -0.23 0.00 -1.93 -0.52 4.76 -1.26 -4.99 118.16 113.99 3d72 n LYS 121 Ca 0.06 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.16 3d72 n LYS 121 Cb 0.41 -2.51 0.03 0.00 -1.84 0.00 0.00 35.03 31.12 3d72 n LYS 121 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3d72 s SER 122 N -3.19 5.32 -0.39 4.39 1.04 -0.88 -4.97 113.70 115.02 3d72 s SER 122 Ca 0.00 2.06 -0.24 0.00 0.48 0.00 0.00 55.95 58.25 3d72 s SER 122 Cb 0.00 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.57 3d72 s SER 122 CO 0.00 -1.49 0.81 -0.89 0.98 0.00 0.00 173.24 172.66 3d72 s THR 123 N -2.14 4.67 0.50 2.02 2.01 -1.26 -5.00 115.64 116.44 3d72 s THR 123 Ca 0.69 0.82 -0.23 0.00 0.31 0.00 0.00 61.69 63.29 3d72 s THR 123 Cb -0.22 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 67.96 3d72 s THR 123 CO 0.36 -0.54 1.26 -0.13 -0.69 0.00 0.00 174.62 174.89 3d72 s ARG 124 N 3.24 3.49 0.00 4.92 3.00 -1.26 -4.93 118.95 127.41 3d72 s ARG 124 Ca 0.32 2.00 0.19 0.00 0.00 0.00 0.00 55.73 58.25 3d72 s ARG 124 Cb -0.13 -2.36 0.28 0.00 0.00 0.00 0.00 34.95 32.75 3d72 s ARG 124 CO 0.19 -0.84 1.22 0.36 0.00 0.00 0.00 175.30 176.23 3d72 n LYS 125 N -0.70 2.04 0.00 3.54 2.85 -1.26 -4.34 118.16 120.29 3d72 n LYS 125 Ca 0.08 -1.92 0.00 0.00 -1.05 0.00 0.00 58.31 55.43 3d72 n LYS 125 Cb 0.46 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 3d72 n LYS 125 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3d72 n TYR 126 N 1.13 0.00 -5.27 5.58 4.01 -1.26 -5.07 117.16 116.28 3d72 n TYR 126 Ca 0.14 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.57 3d72 n TYR 126 Cb 0.50 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.37 3d72 n TYR 126 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3d72 s VAL 127 N -0.09 2.01 -0.00 -0.72 1.01 -1.26 -4.79 120.40 116.56 3d72 s VAL 127 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 61.98 60.59 3d72 s VAL 127 Cb 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 36.38 34.60 3d72 s VAL 127 CO 0.00 0.57 1.94 -0.67 0.00 0.00 0.00 175.10 176.93 3d72 n ASP 128 N 2.58 3.91 -0.26 3.32 -0.08 -1.26 -4.70 116.55 120.06 3d72 n ASP 128 Ca -0.16 0.93 -0.02 0.00 -1.51 0.00 0.00 54.79 54.03 3d72 n ASP 128 Cb 0.51 -1.47 0.17 0.00 2.34 0.00 0.00 41.12 42.67 3d72 n ASP 128 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3d72 h SER 129 N 10.00 0.98 -0.34 1.67 0.02 -1.98 -2.05 113.55 121.86 3d72 h SER 129 Ca -0.49 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.35 3d72 h SER 129 Cb 1.25 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3d72 h SER 129 CO 0.94 0.76 0.07 -1.13 -1.14 0.00 0.00 176.83 176.33 3d72 h ASN 130 N 1.12 0.59 -0.50 3.07 -1.24 -1.99 -0.82 115.58 115.81 3d72 h ASN 130 Ca 0.29 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 57.14 3d72 h ASN 130 Cb -0.02 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 3d72 h ASN 130 CO -0.05 0.62 0.09 0.74 -1.29 0.00 0.00 177.43 177.54 3d72 h THR 131 N 0.62 1.25 -0.57 -3.57 2.02 -1.77 -0.29 112.91 110.59 3d72 h THR 131 Ca 0.14 -0.90 -0.11 0.00 0.77 0.00 0.00 66.41 66.31 3d72 h THR 131 Cb 0.29 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3d72 h THR 131 CO 0.00 0.32 -0.07 0.40 0.37 0.00 0.00 175.52 176.55 3d72 h ILE 132 N 0.70 1.27 -0.39 3.11 2.04 -0.95 -2.08 117.51 121.20 3d72 h ILE 132 Ca 0.15 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 64.70 3d72 h ILE 132 Cb 0.37 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3d72 h ILE 132 CO 0.01 0.44 -0.13 -1.13 0.00 0.00 0.00 178.15 177.34 3d72 h ASN 133 N 0.94 0.68 -0.50 1.72 -1.24 -0.96 -0.82 115.58 115.40 3d72 h ASN 133 Ca 0.15 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 3d72 h ASN 133 Cb 0.63 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 3d72 h ASN 133 CO 0.04 0.83 0.31 0.74 -1.29 0.00 0.00 177.43 178.06 3d72 h THR 134 N 0.63 1.15 -0.16 -3.57 2.02 -0.71 -0.74 112.91 111.53 3d72 h THR 134 Ca 0.11 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3d72 h THR 134 Cb 0.58 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3d72 h THR 134 CO 0.04 0.15 0.03 0.24 0.37 0.00 0.00 175.52 176.35 3d72 h MET 135 N 0.67 0.26 -0.32 6.66 2.86 -1.05 -2.54 114.93 121.48 3d72 h MET 135 Ca 0.18 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.80 3d72 h MET 135 Cb -0.02 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3d72 h MET 135 CO -0.03 0.43 0.06 -0.09 1.06 0.00 0.00 176.91 178.33 3d72 h ARG 136 N 0.06 0.17 -0.60 1.72 2.43 -0.93 -1.20 114.38 116.02 3d72 h ARG 136 Ca 0.05 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 3d72 h ARG 136 Cb 0.29 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3d72 h ARG 136 CO 0.00 0.11 0.05 0.87 -1.51 0.00 0.00 179.97 179.50 3d72 h LYS 137 N 0.17 1.01 -0.12 0.20 1.57 -1.13 -1.55 116.57 116.73 3d72 h LYS 137 Ca 0.15 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3d72 h LYS 137 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3d72 h LYS 137 CO -0.20 0.96 0.02 0.00 -0.57 0.00 0.00 179.45 179.66 3d72 h ALA 138 N 1.11 0.16 -0.90 3.86 0.00 -1.16 -2.04 119.26 120.28 3d72 h ALA 138 Ca 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3d72 h ALA 138 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3d72 h ALA 138 CO 0.02 -0.19 0.60 0.82 0.00 0.00 0.00 179.25 180.49 3d72 h ILE 139 N -0.03 1.23 -0.10 0.00 2.04 -1.15 0.13 117.51 119.63 3d72 h ILE 139 Ca 0.04 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3d72 h ILE 139 Cb 0.29 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3d72 h ILE 139 CO 0.00 0.23 -0.11 0.44 0.00 0.00 0.00 178.15 178.71 3d72 h ASP 140 N 1.23 0.14 -0.22 1.72 3.45 -1.10 -2.84 116.42 118.80 3d72 h ASP 140 Ca 0.33 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.77 3d72 h ASP 140 Cb -0.14 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.59 3d72 h ASP 140 CO -0.07 0.27 0.00 0.54 -1.57 0.00 0.00 179.24 178.41 3d72 n ARG 141 N -4.33 2.36 -3.48 3.56 1.74 -0.78 -4.95 116.66 110.78 3d72 n ARG 141 Ca -0.01 -2.03 -0.24 0.00 -0.77 0.00 0.00 57.85 54.80 3d72 n ARG 141 Cb 0.23 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.25 3d72 n ARG 141 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3d72 n ASN 142 N 1.32 -6.24 -4.72 0.55 3.02 -0.46 -4.99 115.26 103.75 3d72 n ASN 142 Ca 0.17 -0.49 -0.35 0.00 -0.03 0.00 0.00 54.58 53.88 3d72 n ASN 142 Cb 0.58 -4.94 -0.09 0.00 -0.61 0.00 0.00 39.78 34.72 3d72 n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d72 s ALA 143 N -3.28 3.40 0.46 5.41 0.00 -0.09 -4.79 121.76 122.86 3d72 s ALA 143 Ca 0.53 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 3d72 s ALA 143 Cb -0.23 -1.55 -0.07 0.00 0.00 0.00 0.00 23.12 21.26 3d72 s ALA 143 CO 0.65 0.61 1.22 -1.21 0.00 0.00 0.00 175.76 177.03 3d72 s GLU 144 N -1.03 3.73 -0.00 0.00 2.02 -1.26 -4.36 118.70 117.79 3d72 s GLU 144 Ca 0.15 1.92 -0.15 0.00 0.02 0.00 0.00 54.97 56.91 3d72 s GLU 144 Cb -0.11 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.66 3d72 s GLU 144 CO 0.04 -0.61 0.31 0.54 0.02 0.00 0.00 175.26 175.56 3d72 s VAL 145 N -1.44 0.06 -0.03 2.63 0.11 -1.00 -5.00 120.40 115.73 3d72 s VAL 145 Ca 0.63 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 59.16 3d72 s VAL 145 Cb -0.32 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 3d72 s VAL 145 CO 0.39 -0.29 0.04 -1.58 -3.33 0.00 0.00 175.10 170.34 3d72 s GLN 146 N -1.59 -0.02 0.18 1.54 0.74 -1.26 -1.30 119.66 117.95 3d72 s GLN 146 Ca -0.12 0.23 -0.08 0.00 0.05 0.00 0.00 55.36 55.45 3d72 s GLN 146 Cb -0.04 -0.35 -0.01 0.00 1.10 0.00 0.00 33.01 33.70 3d72 s GLN 146 CO 0.03 -0.21 0.28 0.14 -0.55 0.00 0.00 175.29 174.97 3d72 s VAL 147 N 1.40 0.05 -0.18 1.34 -7.23 -0.09 -5.00 120.40 110.70 3d72 s VAL 147 Ca -0.05 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 58.60 3d72 s VAL 147 Cb -0.13 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 3d72 s VAL 147 CO -0.03 -0.25 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.85 3d72 s GLU 148 N -4.00 3.50 -0.01 4.82 2.02 -1.26 -0.41 118.70 123.36 3d72 s GLU 148 Ca 0.20 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.62 3d72 s GLU 148 Cb 0.03 -2.91 -0.00 0.00 0.10 0.00 0.00 34.13 31.35 3d72 s GLU 148 CO 0.02 0.05 -0.07 0.54 0.02 0.00 0.00 175.26 175.82 3d72 s VAL 149 N 0.83 0.57 0.02 2.63 0.11 -0.21 -4.95 120.40 119.40 3d72 s VAL 149 Ca -0.02 -0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 58.43 3d72 s VAL 149 Cb -0.15 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 3d72 s VAL 149 CO 0.01 0.17 1.29 -0.69 -3.33 0.00 0.00 175.10 172.55 3d72 s VAL 150 N -0.10 3.88 0.28 2.04 1.01 -1.26 -0.75 120.40 125.50 3d72 s VAL 150 Ca 0.02 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.32 3d72 s VAL 150 Cb -0.04 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 3d72 s VAL 150 CO -0.00 0.04 0.07 0.20 0.00 0.00 0.00 175.10 175.40 3d72 s ASN 151 N 1.45 1.73 -0.02 3.32 0.02 -0.05 -4.61 114.94 116.77 3d72 s ASN 151 Ca 0.60 -1.35 0.02 0.00 -1.02 0.00 0.00 52.86 51.11 3d72 s ASN 151 Cb -0.30 0.05 0.01 0.00 0.02 0.00 0.00 41.25 41.02 3d72 s ASN 151 CO 0.27 -0.65 -0.06 -0.36 0.02 0.00 0.00 177.10 176.32 3d72 s PHE 152 N -3.53 0.63 0.86 2.20 0.08 0.46 -1.09 117.98 117.58 3d72 s PHE 152 Ca 0.36 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 57.15 3d72 s PHE 152 Cb 0.08 -0.48 0.11 0.00 -0.57 0.00 0.00 43.02 42.16 3d72 s PHE 152 CO 0.13 -0.08 1.14 0.15 -0.10 0.00 0.00 175.22 176.47 3d72 s LYS 153 N 0.26 1.60 0.32 0.44 1.02 -0.30 -4.81 119.74 118.26 3d72 s LYS 153 Ca -0.03 0.29 0.06 0.00 0.02 0.00 0.00 55.97 56.31 3d72 s LYS 153 Cb -0.07 -1.89 0.72 0.00 -0.52 0.00 0.00 37.83 36.07 3d72 s LYS 153 CO -0.00 -1.88 1.83 -0.22 -0.92 0.00 0.00 175.35 174.16 3d72 h LYS 154 N -1.27 0.78 0.00 1.68 3.64 -1.06 0.17 116.57 120.50 3d72 h LYS 154 Ca -0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3d72 h LYS 154 Cb 1.32 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3d72 h LYS 154 CO 0.63 0.51 0.00 0.27 -2.27 0.00 0.00 179.45 178.59 3d72 n ASN 155 N -4.63 0.00 0.00 4.20 2.04 -1.26 -4.87 115.26 110.74 3d72 n ASN 155 Ca 0.20 -1.59 0.00 0.00 -0.44 0.00 0.00 54.58 52.75 3d72 n ASN 155 Cb 0.47 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.72 3d72 n ASN 155 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3d72 n GLY 156 N 0.64 0.78 3.68 4.83 0.00 0.58 -5.03 105.19 110.67 3d72 n GLY 156 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3d72 n GLY 156 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d72 s GLN 157 N -0.42 4.23 0.22 1.61 0.74 -1.25 -4.68 119.66 120.11 3d72 s GLN 157 Ca 0.00 2.09 -0.30 0.00 0.05 0.00 0.00 55.36 57.20 3d72 s GLN 157 Cb 0.00 -3.73 -0.09 0.00 1.10 0.00 0.00 33.01 30.29 3d72 s GLN 157 CO 0.00 -0.71 1.02 0.50 -0.55 0.00 0.00 175.29 175.55 3d72 s ARG 158 N 3.09 4.72 0.11 1.67 3.52 -1.26 -1.16 118.95 129.66 3d72 s ARG 158 Ca 0.68 1.62 -0.14 0.00 -0.13 0.00 0.00 55.73 57.77 3d72 s ARG 158 Cb -0.33 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 3d72 s ARG 158 CO 0.28 0.30 0.34 -0.59 -0.81 0.00 0.00 175.30 174.82 3d72 s PHE 159 N -0.85 -0.10 -0.27 5.12 -0.71 -0.25 -4.98 117.98 115.94 3d72 s PHE 159 Ca 0.44 -0.25 -0.12 0.00 -1.04 0.00 0.00 56.93 55.96 3d72 s PHE 159 Cb -0.28 0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 3d72 s PHE 159 CO 0.35 -0.66 0.24 0.08 -1.34 0.00 0.00 175.22 173.89 3d72 s VAL 160 N -3.82 5.28 -0.29 -2.49 1.01 -1.26 -0.87 120.40 117.95 3d72 s VAL 160 Ca 0.04 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 3d72 s VAL 160 Cb 0.03 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3d72 s VAL 160 CO -0.12 0.23 0.20 0.21 0.00 0.00 0.00 175.10 175.63 3d72 s ASN 161 N 1.67 6.03 -0.54 3.32 3.84 0.07 -4.45 114.94 124.88 3d72 s ASN 161 Ca 0.09 -0.09 -0.23 0.00 0.21 0.00 0.00 52.86 52.85 3d72 s ASN 161 Cb -0.16 -2.12 0.05 0.00 -0.55 0.00 0.00 41.25 38.46 3d72 s ASN 161 CO 0.10 -0.09 0.86 0.12 -2.79 0.00 0.00 177.10 175.30 3d72 s PHE 162 N 1.76 2.86 -0.12 0.43 5.99 0.67 -1.05 117.98 128.52 3d72 s PHE 162 Ca 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 56.93 56.81 3d72 s PHE 162 Cb -0.16 -3.93 -0.03 0.00 0.00 0.00 0.00 43.02 38.90 3d72 s PHE 162 CO 0.11 -1.27 -0.01 -1.17 -0.00 0.00 0.00 175.22 172.88 3d72 s LEU 163 N 3.59 3.46 -0.08 6.12 2.96 0.45 -2.04 118.68 133.13 3d72 s LEU 163 Ca 0.26 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 3d72 s LEU 163 Cb -0.14 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.75 3d72 s LEU 163 CO 0.17 0.29 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.46 3d72 s THR 164 N -0.35 1.33 -0.10 3.68 2.01 -0.67 -0.91 115.64 120.63 3d72 s THR 164 Ca 0.07 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.52 3d72 s THR 164 Cb -0.12 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.19 3d72 s THR 164 CO 0.02 0.40 -0.19 -0.04 -0.69 0.00 0.00 174.62 174.12 3d72 s MET 165 N 0.72 2.60 -0.11 4.92 -1.94 -0.42 -0.67 119.30 124.40 3d72 s MET 165 Ca -0.13 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.15 3d72 s MET 165 Cb -0.16 -2.06 0.02 0.00 2.01 0.00 0.00 34.83 34.63 3d72 s MET 165 CO 0.03 0.06 -0.13 0.42 -0.01 0.00 0.00 175.02 175.38 3d72 s ILE 166 N 0.64 1.38 0.52 2.53 -1.09 -0.23 -2.38 121.20 122.56 3d72 s ILE 166 Ca -0.13 -0.56 -0.21 0.00 -2.23 0.00 0.00 60.65 57.52 3d72 s ILE 166 Cb -0.16 -1.28 -0.06 0.00 -1.58 0.00 0.00 42.46 39.38 3d72 s ILE 166 CO 0.03 0.42 1.20 -2.16 -1.23 0.00 0.00 174.94 173.21 3d72 s PRO 167 N 1.12 3.42 -0.04 2.79 0.04 -1.26 -1.08 135.00 139.99 3d72 s PRO 167 Ca -0.04 1.85 0.04 0.00 0.04 0.00 0.00 61.00 62.89 3d72 s PRO 167 Cb -0.14 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.17 3d72 s PRO 167 CO -0.03 -0.85 -0.18 0.08 0.04 0.00 0.00 177.00 176.06 3d72 s VAL 168 N -1.54 1.48 0.02 -0.36 1.01 0.69 -4.87 120.40 116.83 3d72 s VAL 168 Ca 0.69 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 3d72 s VAL 168 Cb -0.30 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 3d72 s VAL 168 CO 0.36 0.42 0.51 -0.13 0.00 0.00 0.00 175.10 176.26 3d72 s ARG 169 N 0.03 4.14 0.00 2.72 0.52 -1.26 -1.03 118.95 124.07 3d72 s ARG 169 Ca -0.04 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 3d72 s ARG 169 Cb -0.12 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.09 3d72 s ARG 169 CO 0.02 0.57 0.00 -0.40 0.02 0.00 0.00 175.30 175.52 3d72 n ASP 170 N 2.07 0.00 0.27 0.23 5.68 -1.00 -4.87 116.55 118.94 3d72 n ASP 170 Ca -0.11 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.37 3d72 n ASP 170 Cb 0.51 0.00 0.89 0.00 -1.14 0.00 0.00 41.12 41.39 3d72 n ASP 170 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3d72 h GLU 171 N 0.00 0.00 0.00 0.11 4.39 -1.99 -1.42 114.58 115.68 3d72 h GLU 171 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3d72 h GLU 171 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3d72 h GLU 171 CO 0.00 0.00 0.00 1.79 -1.16 0.00 0.00 179.01 179.64 3d72 h THR 172 N 0.00 0.00 0.00 1.13 1.35 -2.02 -3.46 112.91 109.90 3d72 h THR 172 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3d72 h THR 172 Cb 0.19 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3d72 h THR 172 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3d72 n GLY 173 N 0.96 1.03 3.84 5.82 0.00 -0.53 -5.05 105.19 111.26 3d72 n GLY 173 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3d72 n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d72 s GLU 174 N -0.47 3.00 0.01 1.61 2.02 -1.26 -4.83 118.70 118.78 3d72 s GLU 174 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 3d72 s GLU 174 Cb 0.00 -2.66 -0.07 0.00 0.10 0.00 0.00 34.13 31.49 3d72 s GLU 174 CO 0.00 0.45 1.69 0.71 0.02 0.00 0.00 175.26 178.13 3d72 s TYR 175 N -1.91 2.11 0.00 1.61 2.02 -1.26 -2.37 117.35 117.55 3d72 s TYR 175 Ca 0.32 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 3d72 s TYR 175 Cb -0.09 -3.97 0.00 0.00 -0.40 0.00 0.00 41.96 37.50 3d72 s TYR 175 CO 0.25 -4.04 0.00 -2.13 -1.57 0.00 0.00 175.55 168.06 3d72 n ARG 176 N 6.44 2.05 -4.55 -0.62 3.00 -0.20 -4.93 116.66 117.86 3d72 n ARG 176 Ca 0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.76 3d72 n ARG 176 Cb 0.42 -0.90 -0.10 0.00 0.00 0.00 0.00 32.46 31.88 3d72 n ARG 176 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3d72 s TYR 177 N -1.80 2.07 -0.04 -0.14 1.51 -0.95 -0.80 117.35 117.19 3d72 s TYR 177 Ca 0.00 -0.94 0.01 0.00 -1.01 0.00 0.00 57.07 55.14 3d72 s TYR 177 Cb 0.00 -1.44 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 3d72 s TYR 177 CO 0.00 0.10 -0.06 0.45 -1.11 0.00 0.00 175.55 174.93 3d72 s SER 178 N -3.62 1.08 -0.20 2.29 0.15 -0.59 -0.22 113.70 112.59 3d72 s SER 178 Ca 0.30 -0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.72 3d72 s SER 178 Cb 0.07 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 3d72 s SER 178 CO 0.14 -0.02 0.06 -0.32 1.20 0.00 0.00 173.24 174.30 3d72 s MET 179 N 0.71 3.86 -0.04 5.44 1.75 -0.24 -1.16 119.30 129.62 3d72 s MET 179 Ca -0.11 -0.40 0.02 0.00 -1.25 0.00 0.00 55.69 53.96 3d72 s MET 179 Cb -0.13 -3.22 -0.03 0.00 2.84 0.00 0.00 34.83 34.28 3d72 s MET 179 CO 0.01 0.13 -0.08 0.20 -0.65 0.00 0.00 175.02 174.64 3d72 s GLY 180 N 0.74 1.70 -0.11 2.11 0.00 0.20 -1.07 107.32 110.89 3d72 s GLY 180 Ca 0.03 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.82 3d72 s GLY 180 CO 0.02 -0.77 -0.22 -1.36 0.00 0.00 0.00 173.10 170.78 3d72 s PHE 181 N -0.88 2.63 0.11 1.90 0.08 0.15 -1.17 117.98 120.80 3d72 s PHE 181 Ca 0.14 -1.04 0.08 0.00 0.12 0.00 0.00 56.93 56.23 3d72 s PHE 181 Cb -0.11 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 3d72 s PHE 181 CO 0.04 -0.43 -0.12 -0.65 -0.10 0.00 0.00 175.22 173.96 3d72 s GLN 182 N 0.45 2.02 -0.15 0.44 1.11 -0.91 -1.66 119.66 120.96 3d72 s GLN 182 Ca -0.15 -1.09 -0.06 0.00 0.01 0.00 0.00 55.36 54.07 3d72 s GLN 182 Cb -0.17 -2.24 0.07 0.00 -1.01 0.00 0.00 33.01 29.66 3d72 s GLN 182 CO 0.06 0.49 0.32 0.00 0.01 0.00 0.00 175.29 176.18