#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d72 s HIS 37 N 0.00 3.08 -0.44 1.12 5.04 -1.26 -5.01 115.29 117.82 3d72 s HIS 37 Ca 0.00 -0.98 -0.20 0.00 -1.54 0.00 0.00 55.06 52.34 3d72 s HIS 37 Cb 0.00 -3.84 0.03 0.00 0.04 0.00 0.00 32.58 28.81 3d72 s HIS 37 CO 0.00 -1.16 0.59 0.99 -2.34 0.00 0.00 174.74 172.82 3d72 s THR 38 N 2.34 4.90 -0.22 0.89 2.01 -1.26 -5.02 115.64 119.28 3d72 s THR 38 Ca 0.09 -0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.75 3d72 s THR 38 Cb -0.25 -4.18 -0.00 0.00 0.01 0.00 0.00 72.50 68.08 3d72 s THR 38 CO 0.06 -0.58 0.90 -0.76 -0.69 0.00 0.00 174.62 173.55 3d72 s LEU 39 N 2.63 4.11 -0.14 4.42 1.43 -1.26 -5.01 118.68 124.85 3d72 s LEU 39 Ca 0.19 1.18 -0.10 0.00 -1.03 0.00 0.00 54.13 54.38 3d72 s LEU 39 Cb -0.15 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 3d72 s LEU 39 CO 0.17 -0.54 0.18 -0.31 0.23 0.00 0.00 176.35 176.07 3d72 s TYR 40 N 2.82 3.53 -0.49 0.29 1.51 -1.26 -4.60 117.35 119.15 3d72 s TYR 40 Ca 0.39 0.51 -0.18 0.00 -1.01 0.00 0.00 57.07 56.78 3d72 s TYR 40 Cb -0.15 -2.10 0.06 0.00 -0.11 0.00 0.00 41.96 39.66 3d72 s TYR 40 CO 0.08 0.51 0.56 0.00 -1.11 0.00 0.00 175.55 175.59 3d72 s ALA 41 N -0.37 3.43 0.00 3.71 0.00 0.57 -4.82 121.76 124.29 3d72 s ALA 41 Ca 0.14 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.29 3d72 s ALA 41 Cb -0.12 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3d72 s ALA 41 CO 0.03 -1.91 0.00 -2.30 0.00 0.00 0.00 175.76 171.57 3d72 n PRO 42 N 5.91 -0.65 0.00 0.00 -0.02 -1.26 -3.36 135.00 135.63 3d72 n PRO 42 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3d72 n PRO 42 Cb 0.45 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3d72 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d72 n GLY 43 N 0.00 0.49 0.00 -1.23 0.00 -1.26 -4.94 105.19 98.24 3d72 n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.71 3.70 -0.02 0.00 -1.25 -5.10 105.19 104.22 3d72 n GLY 44 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.43 -1.45 1.61 1.51 -1.21 -4.83 117.35 114.40 3d72 s TYR 45 Ca 0.00 0.66 -0.12 0.00 -1.01 0.00 0.00 57.07 56.61 3d72 s TYR 45 Cb 0.00 -2.48 0.04 0.00 -0.11 0.00 0.00 41.96 39.42 3d72 s TYR 45 CO 0.00 0.10 2.31 -3.47 -1.11 0.00 0.00 175.55 173.39 3d72 n ASP 46 N 4.04 5.26 -0.24 2.29 2.03 -1.26 -0.31 116.55 128.36 3d72 n ASP 46 Ca -0.09 -2.86 -0.05 0.00 0.52 0.00 0.00 54.79 52.31 3d72 n ASP 46 Cb 0.51 -1.59 0.06 0.00 -0.72 0.00 0.00 41.12 39.38 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 3.68 1.14 -0.51 5.18 1.08 -1.94 -1.07 117.51 125.08 3d72 h ILE 47 Ca 0.60 -0.30 -0.05 0.00 -0.39 0.00 0.00 64.86 64.72 3d72 h ILE 47 Cb 0.55 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3d72 h ILE 47 CO 1.80 0.16 0.10 0.24 -0.69 0.00 0.00 178.15 179.76 3d72 h MET 48 N 0.87 0.82 -0.95 2.37 2.86 -1.86 -0.62 114.93 118.43 3d72 h MET 48 Ca 0.25 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3d72 h MET 48 Cb -0.06 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 3d72 h MET 48 CO -0.07 0.80 0.62 0.78 1.06 0.00 0.00 176.91 180.10 3d72 h GLY 49 N 0.71 1.36 1.58 8.32 0.00 -1.85 -1.27 103.07 111.91 3d72 h GLY 49 Ca 0.16 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 3d72 h GLY 49 CO 0.01 0.43 -0.48 -0.97 0.00 0.00 0.00 176.54 175.53 3d72 h TYR 50 N 1.22 0.56 -0.48 5.60 0.05 -0.74 -0.88 116.97 122.30 3d72 h TYR 50 Ca 0.37 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.91 3d72 h TYR 50 Cb -0.04 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 3d72 h TYR 50 CO -0.00 0.85 0.06 -0.07 -1.05 0.00 0.00 178.16 177.95 3d72 h LEU 51 N 0.37 0.78 -0.63 3.88 3.38 -0.52 -0.52 115.31 122.05 3d72 h LEU 51 Ca 0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3d72 h LEU 51 Cb 0.98 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3d72 h LEU 51 CO 0.09 0.86 0.25 0.40 0.09 0.00 0.00 178.44 180.12 3d72 h ILE 52 N 0.68 1.23 -0.41 1.22 2.04 -1.11 -0.88 117.51 120.29 3d72 h ILE 52 Ca 0.14 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3d72 h ILE 52 Cb 0.42 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3d72 h ILE 52 CO 0.01 0.29 0.24 -0.61 0.00 0.00 0.00 178.15 178.08 3d72 h GLN 53 N 0.88 0.47 -0.42 2.37 4.15 -0.81 -1.30 115.11 120.46 3d72 h GLN 53 Ca 0.21 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3d72 h GLN 53 Cb 0.21 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3d72 h GLN 53 CO -0.02 0.31 0.21 0.82 -1.93 0.00 0.00 178.83 178.23 3d72 h ILE 54 N 0.48 1.17 0.00 2.39 2.04 -0.74 -1.39 117.51 121.46 3d72 h ILE 54 Ca 0.16 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3d72 h ILE 54 Cb 0.01 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3d72 h ILE 54 CO -0.07 0.18 -0.10 0.24 0.00 0.00 0.00 178.15 178.40 3d72 h MET 55 N 0.54 0.00 -0.28 2.37 2.86 -0.86 -2.78 114.93 116.77 3d72 h MET 55 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3d72 h MET 55 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3d72 h MET 55 CO -0.02 0.10 0.00 0.09 1.06 0.00 0.00 176.91 178.14 3d72 n ASN 56 N -3.32 3.32 -4.71 1.22 3.02 -0.52 -4.98 115.26 109.30 3d72 n ASN 56 Ca -0.01 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.14 3d72 n ASN 56 Cb 0.29 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.62 4.18 0.21 3.52 1.70 -0.56 -4.92 118.95 121.46 3d72 s ARG 57 Ca 0.35 2.45 -0.09 0.00 -0.47 0.00 0.00 55.73 57.97 3d72 s ARG 57 Cb 0.22 -3.23 0.27 0.00 -0.57 0.00 0.00 34.95 31.63 3d72 s ARG 57 CO 0.31 -0.69 1.78 -1.00 -1.08 0.00 0.00 175.30 174.62 3d72 h PRO 58 N 7.18 0.56 -2.23 3.89 0.13 -1.92 -3.34 132.00 136.27 3d72 h PRO 58 Ca -0.43 -0.03 -0.60 0.00 -0.87 0.00 0.00 66.00 64.07 3d72 h PRO 58 Cb 1.20 -0.13 -0.42 0.00 0.13 0.00 0.00 31.00 31.79 3d72 h PRO 58 CO 0.93 0.37 -0.61 0.09 -0.23 0.00 0.00 178.00 178.55 3d72 n ASN 59 N -4.87 4.06 -4.73 1.44 3.02 -1.26 -5.08 115.26 107.84 3d72 n ASN 59 Ca 0.09 -3.55 -0.42 0.00 -0.03 0.00 0.00 54.58 50.68 3d72 n ASN 59 Cb 0.23 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.89 4.17 0.03 3.52 0.04 -1.26 -4.89 135.00 133.72 3d72 s PRO 60 Ca 0.44 2.48 0.22 0.00 0.04 0.00 0.00 61.00 64.18 3d72 s PRO 60 Cb 0.20 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 31.54 3d72 s PRO 60 CO -0.06 -0.62 0.85 1.04 0.04 0.00 0.00 177.00 178.25 3d72 n GLN 61 N 3.16 0.35 -3.85 4.56 1.13 -1.26 -4.89 117.38 116.57 3d72 n GLN 61 Ca 0.11 -0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 55.00 3d72 n GLN 61 Cb 0.38 -1.57 -0.14 0.00 0.11 0.00 0.00 30.24 29.01 3d72 n GLN 61 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3d72 s VAL 62 N -3.26 -0.01 0.02 5.09 1.01 -1.26 -5.07 120.40 116.92 3d72 s VAL 62 Ca 0.01 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 3d72 s VAL 62 Cb 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 36.38 36.43 3d72 s VAL 62 CO 0.84 0.01 0.63 -1.61 0.00 0.00 0.00 175.10 174.97 3d72 s GLU 63 N 0.16 4.34 0.00 2.72 8.01 -1.26 -4.92 118.70 127.75 3d72 s GLU 63 Ca -0.01 0.80 0.00 0.00 0.01 0.00 0.00 54.97 55.77 3d72 s GLU 63 Cb -0.02 -3.33 0.00 0.00 -4.31 0.00 0.00 34.13 26.47 3d72 s GLU 63 CO -0.00 0.40 0.00 -0.11 0.01 0.00 0.00 175.26 175.56 3d72 n LEU 64 N 2.55 0.00 0.00 1.80 7.94 -1.26 -5.12 117.00 122.91 3d72 n LEU 64 Ca -0.07 -0.01 0.05 0.00 -1.11 0.00 0.00 56.01 54.87 3d72 n LEU 64 Cb 0.51 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.45 3d72 n LEU 64 CO 0.44 0.00 -0.06 0.61 -1.11 0.00 0.00 177.39 177.27 3d72 n GLY 65 N 2.05 -2.05 3.77 -3.96 0.00 -1.26 -4.79 105.19 98.94 3d72 n GLY 65 Ca 0.00 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.03 4.07 0.09 1.61 0.04 -1.26 -4.99 135.00 133.53 3d72 s PRO 66 Ca 0.00 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.19 3d72 s PRO 66 Cb 0.00 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 3d72 s PRO 66 CO 0.00 -0.40 -0.09 0.14 0.04 0.00 0.00 177.00 176.70 3d72 s VAL 67 N -1.26 0.80 0.15 -0.36 -7.23 -1.26 -5.17 120.40 106.08 3d72 s VAL 67 Ca 0.55 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 59.05 3d72 s VAL 67 Cb -0.37 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.22 3d72 s VAL 67 CO 0.48 -0.64 0.23 -0.90 -0.31 0.00 0.00 175.10 173.96 3d72 n ASP 68 N 0.49 -0.64 0.00 4.85 5.68 -1.26 -4.96 116.55 120.71 3d72 n ASP 68 Ca -0.16 -1.76 0.13 0.00 -0.50 0.00 0.00 54.79 52.51 3d72 n ASP 68 Cb 0.58 1.16 0.79 0.00 -1.14 0.00 0.00 41.12 42.51 3d72 n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3d72 n THR 69 N -0.24 0.00 0.73 2.12 -2.24 -1.26 -3.39 114.28 110.00 3d72 n THR 69 Ca -0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3d72 n THR 69 Cb 0.24 -0.52 0.43 0.00 -2.10 0.00 0.00 70.33 68.39 3d72 n THR 69 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3d72 n SER 70 N -0.96 0.59 -4.95 3.42 3.41 -1.26 -4.83 113.62 109.03 3d72 n SER 70 Ca 0.20 0.49 -0.21 0.00 -0.26 0.00 0.00 58.87 59.08 3d72 n SER 70 Cb 0.09 -0.60 0.04 0.00 -0.26 0.00 0.00 64.21 63.49 3d72 n SER 70 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3d72 s VAL 71 N -3.08 2.61 -0.24 -3.33 -7.23 -1.22 -4.75 120.40 103.16 3d72 s VAL 71 Ca 0.11 -0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 3d72 s VAL 71 Cb 0.14 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 34.13 3d72 s VAL 71 CO 0.59 0.00 1.06 0.00 -0.31 0.00 0.00 175.10 176.44 3d72 s ALA 72 N -2.81 3.66 0.11 1.32 0.00 -1.26 -4.47 121.76 118.31 3d72 s ALA 72 Ca 0.58 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 3d72 s ALA 72 Cb -0.10 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.47 3d72 s ALA 72 CO 0.39 -1.11 0.32 -0.48 0.00 0.00 0.00 175.76 174.87 3d72 s LEU 73 N 3.28 0.81 0.03 0.00 0.05 -1.26 -1.86 118.68 119.73 3d72 s LEU 73 Ca 0.45 -0.45 -0.06 0.00 0.05 0.00 0.00 54.13 54.12 3d72 s LEU 73 Cb -0.15 1.52 -0.01 0.00 -2.05 0.00 0.00 46.19 45.50 3d72 s LEU 73 CO 0.08 -0.80 0.10 0.27 -0.55 0.00 0.00 176.35 175.45 3d72 s ILE 74 N -3.83 0.12 -0.10 1.48 -4.36 -0.38 -1.22 121.20 112.91 3d72 s ILE 74 Ca 0.04 -1.00 0.04 0.00 -0.26 0.00 0.00 60.65 59.46 3d72 s ILE 74 Cb 0.03 -0.79 0.00 0.00 1.25 0.00 0.00 42.46 42.96 3d72 s ILE 74 CO -0.12 -0.55 -0.23 -0.22 0.24 0.00 0.00 174.94 174.06 3d72 s LEU 75 N -1.96 2.07 0.11 0.37 2.96 0.30 -0.74 118.68 121.78 3d72 s LEU 75 Ca -0.07 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.37 3d72 s LEU 75 Cb -0.03 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 3d72 s LEU 75 CO -0.03 0.14 -0.18 0.00 -1.32 0.00 0.00 176.35 174.96 3d72 s ASP 77 N -2.04 6.28 0.53 0.00 -1.08 -0.37 -1.82 116.67 118.18 3d72 s ASP 77 Ca 0.17 -0.29 0.32 0.00 -0.52 0.00 0.00 52.55 52.23 3d72 s ASP 77 Cb -0.11 -2.27 1.20 0.00 -1.46 0.00 0.00 42.92 40.28 3d72 s ASP 77 CO 0.09 -0.58 1.92 -0.07 0.52 0.00 0.00 175.17 177.05 3d72 h LEU 78 N 9.24 0.00 -3.47 -1.34 3.38 -1.30 -3.06 115.31 118.76 3d72 h LEU 78 Ca -0.27 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.46 3d72 h LEU 78 Cb 1.11 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 3d72 h LEU 78 CO 0.81 0.01 0.30 0.29 0.09 0.00 0.00 178.44 179.94 3d72 n LYS 79 N -3.10 3.13 -4.21 1.13 4.01 -1.25 -4.82 118.16 113.06 3d72 n LYS 79 Ca 0.01 -2.64 -0.15 0.00 -0.51 0.00 0.00 58.31 55.03 3d72 n LYS 79 Cb 0.34 -2.08 -0.11 0.00 -0.51 0.00 0.00 35.03 32.68 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 -2.68 0.93 -0.08 1.97 -0.21 -1.16 -5.09 119.66 113.35 3d72 s GLN 80 Ca 0.48 -1.25 -0.34 0.00 0.02 0.00 0.00 55.36 54.27 3d72 s GLN 80 Cb 0.39 -0.61 -0.11 0.00 1.00 0.00 0.00 33.01 33.67 3d72 s GLN 80 CO 0.11 0.09 1.89 1.17 -2.12 0.00 0.00 175.29 176.44 3d72 n LYS 81 N 0.34 2.25 -3.15 2.91 4.81 -1.26 -2.29 118.16 121.77 3d72 n LYS 81 Ca -0.14 0.82 -0.20 0.00 -0.87 0.00 0.00 58.31 57.92 3d72 n LYS 81 Cb 0.58 -2.68 0.05 0.00 0.02 0.00 0.00 35.03 33.00 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 6.72 -5.69 -3.47 3.14 2.03 -1.26 -4.02 116.55 114.00 3d72 n ASP 82 Ca 0.22 -0.35 -0.15 0.00 0.52 0.00 0.00 54.79 55.03 3d72 n ASP 82 Cb 0.31 -4.43 0.00 0.00 -0.72 0.00 0.00 41.12 36.28 3d72 n ASP 82 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3d72 n THR 83 N -4.51 -1.21 -2.01 5.18 5.66 -0.97 -4.46 114.28 111.96 3d72 n THR 83 Ca -0.05 -0.13 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 3d72 n THR 83 Cb 0.58 -1.06 0.03 0.00 -1.55 0.00 0.00 70.33 68.34 3d72 n THR 83 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3d72 s PRO 84 N -4.67 2.97 0.04 1.09 0.04 -1.25 -4.50 135.00 128.71 3d72 s PRO 84 Ca 0.11 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 3d72 s PRO 84 Cb -0.06 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3d72 s PRO 84 CO 0.39 -1.21 1.20 0.42 0.04 0.00 0.00 177.00 177.84 3d72 s ILE 85 N -1.58 4.07 -0.26 0.56 1.01 -0.13 -1.24 121.20 123.64 3d72 s ILE 85 Ca 0.78 1.47 0.07 0.00 0.00 0.00 0.00 60.65 62.97 3d72 s ILE 85 Cb -0.31 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 3d72 s ILE 85 CO 0.33 0.10 0.26 1.33 0.00 0.00 0.00 174.94 176.96 3d72 n VAL 86 N 4.03 0.00 -3.70 2.92 0.24 0.49 -0.37 118.33 121.94 3d72 n VAL 86 Ca 0.09 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 3d72 n VAL 86 Cb 0.46 0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 33.59 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 -1.83 -0.58 -0.04 6.34 6.14 -1.07 -4.89 117.35 121.41 3d72 s TYR 87 Ca 0.01 1.35 0.01 0.00 0.64 0.00 0.00 57.07 59.08 3d72 s TYR 87 Cb 0.05 0.23 0.02 0.00 0.42 0.00 0.00 41.96 42.69 3d72 s TYR 87 CO 0.28 -0.30 -0.03 0.00 0.64 0.00 0.00 175.55 176.15 3d72 s ALA 88 N 0.65 0.56 0.66 3.97 0.00 -1.26 -0.54 121.76 125.79 3d72 s ALA 88 Ca -0.03 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 3d72 s ALA 88 Cb -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3d72 s ALA 88 CO -0.04 -0.04 1.06 -1.54 0.00 0.00 0.00 175.76 175.20 3d72 s SER 89 N 0.95 5.54 0.45 0.00 1.04 -0.36 -4.89 113.70 116.43 3d72 s SER 89 Ca -0.11 1.68 0.12 0.00 0.48 0.00 0.00 55.95 58.12 3d72 s SER 89 Cb -0.14 -2.51 1.02 0.00 0.10 0.00 0.00 66.02 64.49 3d72 s SER 89 CO -0.00 -1.34 2.06 -0.08 0.98 0.00 0.00 173.24 174.86 3d72 h GLU 90 N -0.30 0.22 -0.20 4.02 4.81 -1.88 -1.34 114.58 119.91 3d72 h GLU 90 Ca -0.45 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 3d72 h GLU 90 Cb 1.21 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3d72 h GLU 90 CO 0.57 0.20 -0.15 0.00 -0.73 0.00 0.00 179.01 178.91 3d72 h ALA 91 N 1.83 1.39 -0.14 2.92 0.00 -1.86 -0.75 119.26 122.66 3d72 h ALA 91 Ca 0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3d72 h ALA 91 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3d72 h ALA 91 CO -0.00 0.42 -0.25 0.35 0.00 0.00 0.00 179.25 179.77 3d72 h PHE 92 N 0.31 0.52 -0.78 0.00 3.57 -1.51 -1.63 116.94 117.43 3d72 h PHE 92 Ca 0.06 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 3d72 h PHE 92 Cb 0.44 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 3d72 h PHE 92 CO 0.01 0.87 0.38 -0.07 -2.23 0.00 0.00 178.31 177.27 3d72 h LEU 93 N 0.03 1.01 -0.16 0.59 3.38 -1.19 -1.26 115.31 117.71 3d72 h LEU 93 Ca 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3d72 h LEU 93 Cb 0.82 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3d72 h LEU 93 CO 0.06 0.86 0.02 0.22 0.09 0.00 0.00 178.44 179.69 3d72 h TYR 94 N 1.10 0.28 -0.48 1.13 -0.00 -1.14 0.40 116.97 118.26 3d72 h TYR 94 Ca 0.27 -0.04 0.01 0.00 -0.00 0.00 0.00 58.73 58.97 3d72 h TYR 94 Cb 0.11 -0.08 -0.03 0.00 -0.00 0.00 0.00 36.73 36.73 3d72 h TYR 94 CO 0.01 0.44 0.30 1.98 -0.00 0.00 0.00 178.16 180.89 3d72 h MET 95 N 0.04 0.59 0.00 1.82 4.05 -1.09 -3.06 114.93 117.29 3d72 h MET 95 Ca 0.05 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3d72 h MET 95 Cb 0.31 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 3d72 h MET 95 CO 0.00 0.39 -0.45 1.79 0.23 0.00 0.00 176.91 178.87 3d72 h THR 96 N 0.61 0.00 0.00 -0.77 1.35 -1.23 -3.47 112.91 109.40 3d72 h THR 96 Ca 0.19 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3d72 h THR 96 Cb -0.02 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3d72 h THR 96 CO -0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 3d72 n GLY 97 N 1.25 1.80 3.90 5.82 0.00 0.12 -0.25 105.19 117.84 3d72 n GLY 97 Ca 0.03 0.00 -0.28 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 -3.39 3.49 0.53 1.61 1.51 -1.17 -4.70 117.35 115.22 3d72 s TYR 98 Ca 0.00 0.71 0.04 0.00 -1.01 0.00 0.00 57.07 56.81 3d72 s TYR 98 Cb 0.00 -2.17 0.04 0.00 -0.11 0.00 0.00 41.96 39.73 3d72 s TYR 98 CO 0.00 0.07 0.73 -1.54 -1.11 0.00 0.00 175.55 173.71 3d72 s SER 99 N -3.34 5.27 0.19 2.29 1.04 -1.26 -4.58 113.70 113.32 3d72 s SER 99 Ca 0.45 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.49 3d72 s SER 99 Cb -0.10 -0.58 0.12 0.00 0.10 0.00 0.00 66.02 65.56 3d72 s SER 99 CO 0.32 -1.12 1.82 0.78 0.98 0.00 0.00 173.24 176.02 3d72 h ASN 100 N 0.20 0.84 0.15 7.02 2.35 -1.97 -1.54 115.58 122.64 3d72 h ASN 100 Ca -0.39 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 3d72 h ASN 100 Cb 1.29 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.44 3d72 h ASN 100 CO 0.47 0.67 -0.13 0.00 -1.65 0.00 0.00 177.43 176.79 3d72 h ALA 101 N 1.20 1.71 0.00 -0.83 0.00 -1.95 -1.61 119.26 117.78 3d72 h ALA 101 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3d72 h ALA 101 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3d72 h ALA 101 CO -0.04 0.17 -0.41 0.93 0.00 0.00 0.00 179.25 179.89 3d72 h GLU 102 N 0.00 0.00 0.00 0.00 5.08 -1.68 -3.39 114.58 114.58 3d72 h GLU 102 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3d72 h GLU 102 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3d72 h GLU 102 CO 0.02 0.00 -1.80 1.33 -1.00 0.00 0.00 179.01 177.55 3d72 n VAL 103 N -2.43 0.81 -1.68 3.13 0.24 -0.81 -4.91 118.33 112.67 3d72 n VAL 103 Ca 0.03 -0.32 -0.46 0.00 -2.04 0.00 0.00 64.34 61.55 3d72 n VAL 103 Cb 0.47 -0.98 -0.04 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.88 3.40 0.00 1.34 4.32 -0.64 -2.01 117.00 120.53 3d72 n LEU 104 Ca -0.25 1.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.76 3d72 n LEU 104 Cb 0.77 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 3d72 n LEU 104 CO 0.15 -0.11 0.00 0.61 -1.22 0.00 0.00 177.39 176.81 3d72 n GLY 105 N 3.98 0.64 3.74 -0.72 0.00 0.50 -4.95 105.19 108.37 3d72 n GLY 105 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.77 2.65 0.20 1.61 0.52 -0.85 -4.66 118.95 117.64 3d72 s ARG 106 Ca 0.00 -1.09 -0.28 0.00 -0.52 0.00 0.00 55.73 53.84 3d72 s ARG 106 Cb 0.00 -2.45 -0.08 0.00 0.52 0.00 0.00 34.95 32.94 3d72 s ARG 106 CO 0.00 0.43 0.87 1.21 0.02 0.00 0.00 175.30 177.83 3d72 s ASN 107 N -3.36 7.53 0.00 0.23 3.84 -1.26 -0.95 114.94 120.97 3d72 s ASN 107 Ca 0.30 1.81 0.05 0.00 0.21 0.00 0.00 52.86 55.24 3d72 s ASN 107 Cb -0.09 -2.56 0.28 0.00 -0.55 0.00 0.00 41.25 38.33 3d72 s ASN 107 CO 0.22 0.16 0.96 0.00 -2.79 0.00 0.00 177.10 175.65 3d72 n ARG 109 N -1.22 0.14 0.31 0.00 1.85 -1.26 -2.20 116.66 114.28 3d72 n ARG 109 Ca 0.03 0.56 0.18 0.00 -1.00 0.00 0.00 57.85 57.62 3d72 n ARG 109 Cb 0.04 -1.90 1.00 0.00 -1.05 0.00 0.00 32.46 30.55 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 -0.54 116.94 112.29 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 0.11 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.28 3d72 h PHE 110 CO 0.00 0.02 0.00 1.28 -2.00 0.00 0.00 178.31 177.61 3d72 n LEU 111 N -3.49 0.10 -0.09 2.10 4.77 -0.94 -2.46 117.00 116.99 3d72 n LEU 111 Ca -0.03 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.62 3d72 n LEU 111 Cb 0.11 -0.51 0.78 0.00 -2.33 0.00 0.00 43.42 41.47 3d72 n LEU 111 CO 0.25 -0.32 1.01 0.00 -1.33 0.00 0.00 177.39 177.00 3d72 n GLN 112 N -1.62 1.13 -4.37 3.23 6.02 -0.21 -0.23 117.38 121.34 3d72 n GLN 112 Ca 0.03 -0.18 -0.19 0.00 -0.01 0.00 0.00 57.00 56.65 3d72 n GLN 112 Cb 0.17 -1.45 -0.15 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 -1.90 1.09 0.40 1.08 0.15 -1.03 -4.76 113.70 108.74 3d72 s SER 113 Ca 0.42 -0.17 0.28 0.00 0.70 0.00 0.00 55.95 57.18 3d72 s SER 113 Cb 0.20 -0.19 1.40 0.00 -1.71 0.00 0.00 66.02 65.72 3d72 s SER 113 CO 0.33 0.09 1.84 1.55 1.20 0.00 0.00 173.24 178.25 3d72 h PRO 114 N 6.11 0.00 -0.18 5.44 0.13 -1.86 0.68 132.00 142.32 3d72 h PRO 114 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3d72 h PRO 114 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3d72 h PRO 114 CO 0.49 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.01 3d72 n ASP 115 N -2.49 2.53 -1.62 1.44 8.00 -1.26 -4.20 116.55 118.95 3d72 n ASP 115 Ca -0.01 -1.74 -0.17 0.00 0.71 0.00 0.00 54.79 53.58 3d72 n ASP 115 Cb 0.10 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3d72 n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d72 n GLY 116 N 0.73 0.73 3.09 0.44 0.00 0.23 -4.98 105.19 105.43 3d72 n GLY 116 Ca 0.10 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 2.04 -0.15 1.61 -1.94 -1.26 -4.80 119.30 110.68 3d72 s MET 117 Ca 0.00 -1.55 -0.03 0.00 -1.71 0.00 0.00 55.69 52.40 3d72 s MET 117 Cb 0.00 -3.16 0.05 0.00 2.01 0.00 0.00 34.83 33.73 3d72 s MET 117 CO 0.00 -0.76 0.06 0.08 -0.01 0.00 0.00 175.02 174.39 3d72 s VAL 118 N 1.09 0.15 0.13 -6.03 1.01 -1.26 -4.80 120.40 110.68 3d72 s VAL 118 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 3d72 s VAL 118 Cb -0.20 -0.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 3d72 s VAL 118 CO -0.05 -0.13 0.76 -0.54 0.00 0.00 0.00 175.10 175.14 3d72 s LYS 119 N 2.04 4.52 0.42 2.72 -0.14 -1.26 -4.80 119.74 123.24 3d72 s LYS 119 Ca 0.02 1.10 -0.25 0.00 -1.36 0.00 0.00 55.97 55.48 3d72 s LYS 119 Cb -0.15 -3.29 -0.10 0.00 -1.68 0.00 0.00 37.83 32.61 3d72 s LYS 119 CO -0.07 0.50 1.08 -2.30 -0.76 0.00 0.00 175.35 173.80 3d72 n PRO 120 N 1.92 1.49 0.00 -1.68 -0.02 -1.26 -1.87 135.00 133.59 3d72 n PRO 120 Ca -0.05 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3d72 n PRO 120 Cb 0.49 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.10 0.00 -2.03 -0.52 4.76 -1.26 -4.98 118.16 114.23 3d72 n LYS 121 Ca 0.09 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.17 3d72 n LYS 121 Cb 0.39 -2.04 0.03 0.00 -1.84 0.00 0.00 35.03 31.57 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 -2.72 5.26 -0.46 4.39 1.04 -0.78 -4.96 113.70 115.47 3d72 s SER 122 Ca 0.00 2.31 -0.25 0.00 0.48 0.00 0.00 55.95 58.49 3d72 s SER 122 Cb 0.00 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.56 3d72 s SER 122 CO 0.00 -1.54 0.89 -0.89 0.98 0.00 0.00 173.24 172.68 3d72 s THR 123 N -1.70 4.52 0.38 2.02 2.01 -1.26 -5.00 115.64 116.60 3d72 s THR 123 Ca 0.75 0.67 -0.27 0.00 0.31 0.00 0.00 61.69 63.16 3d72 s THR 123 Cb -0.28 -4.41 -0.09 0.00 0.01 0.00 0.00 72.50 67.73 3d72 s THR 123 CO 0.33 -0.81 1.33 -0.13 -0.69 0.00 0.00 174.62 174.65 3d72 s ARG 124 N 3.64 4.09 -0.01 4.92 3.00 -1.26 -4.97 118.95 128.35 3d72 s ARG 124 Ca 0.35 2.23 -0.03 0.00 0.00 0.00 0.00 55.73 58.28 3d72 s ARG 124 Cb -0.11 -2.87 -0.02 0.00 0.00 0.00 0.00 34.95 31.96 3d72 s ARG 124 CO 0.25 -0.42 0.34 0.87 0.00 0.00 0.00 175.30 176.34 3d72 h LYS 125 N 2.90 -0.09 -0.50 3.54 1.57 -1.94 -3.38 116.57 118.67 3d72 h LYS 125 Ca -0.50 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3d72 h LYS 125 Cb 1.24 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3d72 h LYS 125 CO 0.63 -0.06 0.00 0.66 -0.57 0.00 0.00 179.45 180.11 3d72 n TYR 126 N -2.74 0.38 -4.79 -1.35 4.02 -1.26 -4.81 117.16 106.61 3d72 n TYR 126 Ca -0.01 -0.15 -0.25 0.00 -0.01 0.00 0.00 57.90 57.47 3d72 n TYR 126 Cb 0.04 -0.09 -0.16 0.00 -0.02 0.00 0.00 39.34 39.11 3d72 n TYR 126 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3d72 s VAL 127 N -1.62 1.35 -0.02 -0.72 1.01 -1.26 -4.78 120.40 114.36 3d72 s VAL 127 Ca 0.13 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3d72 s VAL 127 Cb 0.08 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 3d72 s VAL 127 CO 0.07 0.39 1.87 -0.62 0.00 0.00 0.00 175.10 176.80 3d72 s ASP 128 N -0.08 6.46 0.49 3.32 2.15 -1.26 -4.70 116.67 123.05 3d72 s ASP 128 Ca -0.01 2.45 0.27 0.00 0.43 0.00 0.00 52.55 55.69 3d72 s ASP 128 Cb -0.10 -2.53 1.22 0.00 -0.30 0.00 0.00 42.92 41.22 3d72 s ASP 128 CO 0.01 -1.07 1.96 0.77 -0.17 0.00 0.00 175.17 176.66 3d72 h SER 129 N 10.53 0.00 0.93 -0.34 4.64 -1.97 -0.52 113.55 126.82 3d72 h SER 129 Ca -0.45 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.74 3d72 h SER 129 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3d72 h SER 129 CO 0.95 0.16 -0.62 -1.13 -0.87 0.00 0.00 176.83 175.31 3d72 h ASN 130 N 0.00 0.00 0.62 4.97 -1.24 -1.99 -1.80 115.58 116.14 3d72 h ASN 130 Ca -0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 3d72 h ASN 130 Cb 0.54 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.59 3d72 h ASN 130 CO 0.02 0.62 -0.30 0.74 -1.29 0.00 0.00 177.43 177.22 3d72 h THR 131 N 0.00 0.10 -0.88 -3.57 2.02 -1.49 -1.78 112.91 107.31 3d72 h THR 131 Ca -0.01 -0.37 0.17 0.00 0.77 0.00 0.00 66.41 66.98 3d72 h THR 131 Cb 1.26 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.74 3d72 h THR 131 CO 0.08 0.02 0.57 0.40 0.37 0.00 0.00 175.52 176.96 3d72 h ILE 132 N -1.17 0.75 -0.29 3.11 2.04 -1.45 0.45 117.51 120.94 3d72 h ILE 132 Ca -0.09 -0.18 -0.17 0.00 1.00 0.00 0.00 64.86 65.42 3d72 h ILE 132 Cb 0.67 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3d72 h ILE 132 CO 0.14 0.09 -0.51 -1.13 0.00 0.00 0.00 178.15 176.75 3d72 h ASN 133 N 0.52 0.91 -0.71 1.72 -1.24 -1.31 -2.06 115.58 113.40 3d72 h ASN 133 Ca 0.45 -0.47 0.04 0.00 0.71 0.00 0.00 56.30 57.03 3d72 h ASN 133 Cb 0.96 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 39.70 3d72 h ASN 133 CO -0.19 1.25 0.44 0.74 -1.29 0.00 0.00 177.43 178.38 3d72 h THR 134 N 0.64 1.08 -0.02 -3.57 2.02 -0.01 -1.06 112.91 112.00 3d72 h THR 134 Ca 0.02 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 3d72 h THR 134 Cb 1.10 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3d72 h THR 134 CO 0.11 0.16 0.01 0.24 0.37 0.00 0.00 175.52 176.40 3d72 h MET 135 N 0.85 0.03 -0.39 6.66 2.86 -1.27 -2.16 114.93 121.52 3d72 h MET 135 Ca 0.29 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.99 3d72 h MET 135 Cb 0.05 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 3d72 h MET 135 CO -0.12 0.22 0.04 -0.09 1.06 0.00 0.00 176.91 178.02 3d72 h ARG 136 N -0.17 0.15 -0.42 1.72 2.43 -0.96 -0.57 114.38 116.56 3d72 h ARG 136 Ca 0.01 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3d72 h ARG 136 Cb 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3d72 h ARG 136 CO -0.00 0.10 -0.04 0.87 -1.51 0.00 0.00 179.97 179.39 3d72 h LYS 137 N 0.16 0.76 -0.07 0.20 1.57 -1.20 -1.39 116.57 116.60 3d72 h LYS 137 Ca 0.19 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3d72 h LYS 137 Cb 0.24 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3d72 h LYS 137 CO -0.28 0.86 0.04 0.00 -0.57 0.00 0.00 179.45 179.50 3d72 h ALA 138 N 0.88 0.08 -0.98 3.86 0.00 -1.10 -1.07 119.26 120.93 3d72 h ALA 138 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3d72 h ALA 138 Cb 0.54 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3d72 h ALA 138 CO 0.03 -0.43 0.65 0.82 0.00 0.00 0.00 179.25 180.32 3d72 h ILE 139 N 0.08 1.23 -0.06 0.00 2.04 -1.04 0.55 117.51 120.31 3d72 h ILE 139 Ca 0.03 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 3d72 h ILE 139 Cb 0.00 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 35.88 3d72 h ILE 139 CO -0.02 0.24 -0.30 0.44 0.00 0.00 0.00 178.15 178.51 3d72 h ASP 140 N 1.31 0.11 -0.27 1.72 3.45 -0.84 -2.92 116.42 118.98 3d72 h ASP 140 Ca 0.37 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.79 3d72 h ASP 140 Cb -0.11 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3d72 h ASP 140 CO -0.09 0.42 0.00 0.54 -1.57 0.00 0.00 179.24 178.54 3d72 n ARG 141 N -4.14 2.26 -3.72 3.56 1.74 -0.44 -4.94 116.66 110.97 3d72 n ARG 141 Ca -0.02 -1.89 -0.26 0.00 -0.77 0.00 0.00 57.85 54.91 3d72 n ARG 141 Cb 0.37 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.13 -5.78 -4.59 0.55 3.02 -0.33 -4.98 115.26 104.28 3d72 n ASN 142 Ca 0.18 -0.63 -0.34 0.00 -0.03 0.00 0.00 54.58 53.75 3d72 n ASN 142 Cb 0.53 -4.61 -0.11 0.00 -0.61 0.00 0.00 39.78 34.99 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 -3.31 3.13 0.44 5.41 0.00 0.04 -4.79 121.76 122.68 3d72 s ALA 143 Ca 0.61 -0.82 -0.25 0.00 0.00 0.00 0.00 51.96 51.50 3d72 s ALA 143 Cb -0.29 -1.48 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 3d72 s ALA 143 CO 0.77 0.43 1.34 -1.21 0.00 0.00 0.00 175.76 177.09 3d72 s GLU 144 N -0.34 3.75 0.01 0.00 2.02 -1.26 -4.37 118.70 118.51 3d72 s GLU 144 Ca 0.06 2.23 -0.13 0.00 0.02 0.00 0.00 54.97 57.16 3d72 s GLU 144 Cb -0.12 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.49 3d72 s GLU 144 CO 0.02 -0.70 0.26 0.54 0.02 0.00 0.00 175.26 175.41 3d72 s VAL 145 N -1.27 0.07 -0.05 2.63 0.11 -0.95 -4.95 120.40 115.99 3d72 s VAL 145 Ca 0.61 -0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 59.02 3d72 s VAL 145 Cb -0.40 -0.69 0.04 0.00 -1.53 0.00 0.00 36.38 33.80 3d72 s VAL 145 CO 0.50 -0.34 0.10 -1.58 -3.33 0.00 0.00 175.10 170.46 3d72 s GLN 146 N -1.76 -0.01 0.19 1.54 0.74 -1.26 -1.45 119.66 117.65 3d72 s GLN 146 Ca -0.11 0.41 -0.04 0.00 0.05 0.00 0.00 55.36 55.67 3d72 s GLN 146 Cb -0.04 -0.35 -0.03 0.00 1.10 0.00 0.00 33.01 33.69 3d72 s GLN 146 CO 0.01 -0.28 0.19 0.14 -0.55 0.00 0.00 175.29 174.81 3d72 s VAL 147 N 1.91 0.02 -0.26 1.34 -7.23 0.15 -4.99 120.40 111.34 3d72 s VAL 147 Ca 0.00 -1.83 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 3d72 s VAL 147 Cb -0.12 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.53 3d72 s VAL 147 CO -0.04 -0.11 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.01 3d72 s GLU 148 N -4.10 2.87 -0.00 4.82 2.02 -1.26 0.09 118.70 123.14 3d72 s GLU 148 Ca 0.32 -0.97 0.05 0.00 0.02 0.00 0.00 54.97 54.39 3d72 s GLU 148 Cb 0.05 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.17 3d72 s GLU 148 CO 0.09 -0.43 -0.16 0.54 0.02 0.00 0.00 175.26 175.32 3d72 s VAL 149 N 1.36 1.28 -0.02 2.63 0.11 -0.27 -4.91 120.40 120.58 3d72 s VAL 149 Ca 0.00 -0.76 -0.30 0.00 -2.93 0.00 0.00 61.98 57.99 3d72 s VAL 149 Cb -0.17 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 3d72 s VAL 149 CO -0.02 0.31 1.22 -0.69 -3.33 0.00 0.00 175.10 172.59 3d72 s VAL 150 N -0.46 4.14 0.35 2.04 1.01 -1.26 -0.33 120.40 125.89 3d72 s VAL 150 Ca 0.06 1.49 0.03 0.00 0.00 0.00 0.00 61.98 63.57 3d72 s VAL 150 Cb -0.07 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 3d72 s VAL 150 CO -0.00 0.02 0.08 0.20 0.00 0.00 0.00 175.10 175.40 3d72 s ASN 151 N 1.44 2.43 -0.02 3.32 0.02 -0.46 -4.61 114.94 117.07 3d72 s ASN 151 Ca 0.57 -1.47 0.01 0.00 -1.02 0.00 0.00 52.86 50.95 3d72 s ASN 151 Cb -0.27 0.13 0.01 0.00 0.02 0.00 0.00 41.25 41.14 3d72 s ASN 151 CO 0.24 -0.72 -0.02 -0.36 0.02 0.00 0.00 177.10 176.26 3d72 s PHE 152 N -3.30 0.36 0.87 2.20 0.08 0.68 -1.55 117.98 117.33 3d72 s PHE 152 Ca 0.32 -0.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.20 3d72 s PHE 152 Cb 0.07 -0.34 0.12 0.00 -0.57 0.00 0.00 43.02 42.30 3d72 s PHE 152 CO 0.15 -0.07 1.14 0.15 -0.10 0.00 0.00 175.22 176.48 3d72 s LYS 153 N 0.46 1.45 0.36 0.44 1.02 0.70 -4.81 119.74 119.36 3d72 s LYS 153 Ca -0.05 0.31 0.12 0.00 0.02 0.00 0.00 55.97 56.38 3d72 s LYS 153 Cb -0.08 -1.87 0.93 0.00 -0.52 0.00 0.00 37.83 36.29 3d72 s LYS 153 CO -0.01 -1.99 1.81 -0.22 -0.92 0.00 0.00 175.35 174.02 3d72 h LYS 154 N -1.35 0.56 -0.09 1.68 3.64 -0.90 0.32 116.57 120.43 3d72 h LYS 154 Ca -0.49 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3d72 h LYS 154 Cb 1.32 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3d72 h LYS 154 CO 0.62 0.37 0.00 0.27 -2.27 0.00 0.00 179.45 178.44 3d72 n ASN 155 N -4.63 0.48 0.00 4.20 2.04 -1.26 -4.86 115.26 111.22 3d72 n ASN 155 Ca 0.22 -1.95 0.00 0.00 -0.44 0.00 0.00 54.58 52.41 3d72 n ASN 155 Cb 0.66 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.85 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 0.67 0.90 3.68 4.83 0.00 0.11 -5.00 105.19 110.37 3d72 n GLY 156 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.28 4.21 0.41 1.61 0.74 -1.25 -4.65 119.66 120.46 3d72 s GLN 157 Ca 0.00 2.18 -0.22 0.00 0.05 0.00 0.00 55.36 57.37 3d72 s GLN 157 Cb 0.00 -3.75 -0.11 0.00 1.10 0.00 0.00 33.01 30.25 3d72 s GLN 157 CO 0.00 -0.74 0.95 0.50 -0.55 0.00 0.00 175.29 175.45 3d72 s ARG 158 N 3.16 4.28 -0.06 1.67 3.52 -1.26 -0.22 118.95 130.04 3d72 s ARG 158 Ca 0.71 1.16 -0.30 0.00 -0.13 0.00 0.00 55.73 57.18 3d72 s ARG 158 Cb -0.35 -2.28 0.09 0.00 -1.56 0.00 0.00 34.95 30.85 3d72 s ARG 158 CO 0.29 0.01 0.80 -0.59 -0.81 0.00 0.00 175.30 175.00 3d72 s PHE 159 N -2.08 -0.52 -0.13 5.12 -0.71 -0.60 -4.93 117.98 114.14 3d72 s PHE 159 Ca 0.60 0.79 -0.22 0.00 -1.04 0.00 0.00 56.93 57.06 3d72 s PHE 159 Cb -0.11 0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 3d72 s PHE 159 CO 0.15 -0.54 0.67 0.08 -1.34 0.00 0.00 175.22 174.24 3d72 s VAL 160 N -1.61 5.03 -0.34 -2.49 1.01 -1.26 -1.35 120.40 119.38 3d72 s VAL 160 Ca -0.05 1.33 -0.10 0.00 0.00 0.00 0.00 61.98 63.16 3d72 s VAL 160 Cb -0.00 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3d72 s VAL 160 CO 0.03 0.18 0.17 0.21 0.00 0.00 0.00 175.10 175.69 3d72 s ASN 161 N 0.97 5.59 -0.74 3.32 3.84 0.55 -4.45 114.94 124.02 3d72 s ASN 161 Ca 0.33 -0.75 -0.25 0.00 0.21 0.00 0.00 52.86 52.41 3d72 s ASN 161 Cb -0.17 -2.00 0.05 0.00 -0.55 0.00 0.00 41.25 38.59 3d72 s ASN 161 CO 0.14 -0.28 1.16 0.12 -2.79 0.00 0.00 177.10 175.45 3d72 s PHE 162 N 1.57 2.49 -0.10 0.43 5.99 0.31 -1.12 117.98 127.56 3d72 s PHE 162 Ca 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 56.93 56.54 3d72 s PHE 162 Cb -0.18 -4.49 -0.04 0.00 0.00 0.00 0.00 43.02 38.32 3d72 s PHE 162 CO 0.06 -1.87 0.08 -1.17 -0.00 0.00 0.00 175.22 172.32 3d72 s LEU 163 N 4.87 4.04 -0.06 6.12 2.96 0.11 -2.34 118.68 134.39 3d72 s LEU 163 Ca 0.31 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 3d72 s LEU 163 Cb -0.11 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.62 3d72 s LEU 163 CO 0.10 0.39 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.56 3d72 s THR 164 N -0.98 0.78 -0.12 3.68 2.01 -0.78 -0.67 115.64 119.56 3d72 s THR 164 Ca 0.15 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.91 3d72 s THR 164 Cb -0.12 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.64 3d72 s THR 164 CO 0.04 0.28 -0.18 -0.04 -0.69 0.00 0.00 174.62 174.03 3d72 s MET 165 N 0.90 2.55 -0.09 4.92 -1.94 -0.53 0.07 119.30 125.18 3d72 s MET 165 Ca -0.11 -0.69 0.02 0.00 -1.71 0.00 0.00 55.69 53.20 3d72 s MET 165 Cb -0.15 -2.10 0.01 0.00 2.01 0.00 0.00 34.83 34.61 3d72 s MET 165 CO 0.01 -0.02 -0.13 0.42 -0.01 0.00 0.00 175.02 175.28 3d72 s ILE 166 N 0.86 1.31 0.41 2.53 -1.09 -0.26 -2.23 121.20 122.73 3d72 s ILE 166 Ca -0.08 -0.55 -0.25 0.00 -2.23 0.00 0.00 60.65 57.54 3d72 s ILE 166 Cb -0.15 -1.21 -0.08 0.00 -1.58 0.00 0.00 42.46 39.43 3d72 s ILE 166 CO -0.01 0.40 1.23 -2.16 -1.23 0.00 0.00 174.94 173.18 3d72 s PRO 167 N 0.90 3.99 -0.06 2.79 0.04 -1.26 -0.93 135.00 140.46 3d72 s PRO 167 Ca -0.09 1.99 0.04 0.00 0.04 0.00 0.00 61.00 62.98 3d72 s PRO 167 Cb -0.15 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.68 3d72 s PRO 167 CO 0.01 -0.41 -0.19 0.08 0.04 0.00 0.00 177.00 176.52 3d72 s VAL 168 N -1.34 1.65 0.09 -0.36 1.01 0.11 -4.88 120.40 116.67 3d72 s VAL 168 Ca 0.57 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 3d72 s VAL 168 Cb -0.34 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 3d72 s VAL 168 CO 0.43 0.47 0.56 -0.13 0.00 0.00 0.00 175.10 176.43 3d72 s ARG 169 N 0.18 4.15 0.00 2.72 0.52 -1.26 -0.97 118.95 124.29 3d72 s ARG 169 Ca -0.09 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 3d72 s ARG 169 Cb -0.14 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.15 3d72 s ARG 169 CO 0.04 0.61 0.00 -0.40 0.02 0.00 0.00 175.30 175.57 3d72 n ASP 170 N 1.54 0.00 0.31 0.23 5.68 -0.99 -4.87 116.55 118.45 3d72 n ASP 170 Ca -0.09 -0.36 0.19 0.00 -0.50 0.00 0.00 54.79 54.03 3d72 n ASP 170 Cb 0.51 0.00 1.03 0.00 -1.14 0.00 0.00 41.12 41.52 3d72 n ASP 170 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3d72 h GLU 171 N 0.00 0.00 0.00 0.11 9.09 -1.98 -0.93 114.58 120.87 3d72 h GLU 171 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3d72 h GLU 171 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3d72 h GLU 171 CO 0.00 0.02 0.00 1.79 0.05 0.00 0.00 179.01 180.87 3d72 h THR 172 N 0.00 0.00 0.00 -1.06 1.35 -2.03 -3.46 112.91 107.72 3d72 h THR 172 Ca -0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3d72 h THR 172 Cb 0.09 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 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 0.41 0.87 3.81 5.82 0.00 -0.35 -5.05 105.19 110.70 3d72 n GLY 173 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.70 3.08 -0.00 1.61 2.02 -1.26 -4.80 118.70 118.65 3d72 s GLU 174 Ca 0.00 -0.56 -0.33 0.00 0.02 0.00 0.00 54.97 54.10 3d72 s GLU 174 Cb 0.00 -2.85 -0.11 0.00 0.10 0.00 0.00 34.13 31.26 3d72 s GLU 174 CO 0.00 0.61 1.85 0.66 0.02 0.00 0.00 175.26 178.40 3d72 n TYR 175 N 0.67 2.39 0.00 1.61 4.01 -1.26 -2.36 117.16 122.23 3d72 n TYR 175 Ca -0.09 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3d72 n TYR 175 Cb 0.52 -2.68 0.00 0.00 -0.31 0.00 0.00 39.34 36.86 3d72 n TYR 175 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3d72 n ARG 176 N 6.25 1.88 -4.54 -0.72 3.00 -0.14 -4.91 116.66 117.47 3d72 n ARG 176 Ca 0.21 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.81 3d72 n ARG 176 Cb 0.32 -0.89 -0.10 0.00 0.00 0.00 0.00 32.46 31.79 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 -1.79 2.04 -0.04 -0.14 1.51 -0.94 -0.80 117.35 117.19 3d72 s TYR 177 Ca 0.00 -0.96 0.01 0.00 -1.01 0.00 0.00 57.07 55.11 3d72 s TYR 177 Cb 0.00 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 3d72 s TYR 177 CO 0.00 0.08 -0.04 0.45 -1.11 0.00 0.00 175.55 174.92 3d72 s SER 178 N -3.61 0.87 -0.17 2.29 0.15 -0.75 0.04 113.70 112.51 3d72 s SER 178 Ca 0.30 -0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 3d72 s SER 178 Cb 0.07 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.94 3d72 s SER 178 CO 0.14 -0.05 0.00 -0.32 1.20 0.00 0.00 173.24 174.22 3d72 s MET 179 N 0.84 3.77 -0.01 5.44 1.75 -0.11 -1.13 119.30 129.85 3d72 s MET 179 Ca -0.11 -0.46 0.04 0.00 -1.25 0.00 0.00 55.69 53.91 3d72 s MET 179 Cb -0.14 -3.04 -0.03 0.00 2.84 0.00 0.00 34.83 34.46 3d72 s MET 179 CO 0.00 0.22 -0.10 0.20 -0.65 0.00 0.00 175.02 174.70 3d72 s GLY 180 N 0.44 1.68 -0.18 2.11 0.00 0.08 -1.10 107.32 110.36 3d72 s GLY 180 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.70 3d72 s GLY 180 CO 0.02 -0.86 -0.20 -1.36 0.00 0.00 0.00 173.10 170.70 3d72 s PHE 181 N -0.92 2.78 -0.07 1.90 0.08 0.11 -1.24 117.98 120.62 3d72 s PHE 181 Ca 0.15 -1.61 -0.03 0.00 0.12 0.00 0.00 56.93 55.57 3d72 s PHE 181 Cb -0.11 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3d72 s PHE 181 CO 0.05 -0.79 0.07 -0.65 -0.10 0.00 0.00 175.22 173.80 3d72 s GLN 182 N 1.25 3.15 -0.04 0.44 1.11 -0.78 -1.87 119.66 122.93 3d72 s GLN 182 Ca 0.04 -0.35 -0.02 0.00 0.01 0.00 0.00 55.36 55.04 3d72 s GLN 182 Cb -0.13 -2.93 0.03 0.00 -1.01 0.00 0.00 33.01 28.97 3d72 s GLN 182 CO -0.12 0.71 0.07 0.00 0.01 0.00 0.00 175.29 175.96