#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtx n GLY 20 N 0.00 -0.79 0.00 0.55 0.00 -1.26 -2.35 105.19 101.34 3mtx n GLY 20 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.02 3mtx n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mtx n GLU 21 N -0.81 0.35 -2.03 1.61 4.07 -1.26 -4.95 120.64 117.62 3mtx n GLU 21 Ca 0.12 -0.08 -0.36 0.00 -0.06 0.00 0.00 57.16 56.78 3mtx n GLU 21 Cb 0.05 -1.49 0.03 0.00 -0.06 0.00 0.00 31.44 29.97 3mtx n GLU 21 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 3mtx s TRP 22 N -3.17 2.47 0.61 4.31 0.52 -0.99 -4.96 118.94 117.73 3mtx s TRP 22 Ca 0.02 1.50 -0.16 0.00 0.02 0.00 0.00 56.10 57.47 3mtx s TRP 22 Cb 0.15 -3.51 -0.03 0.00 -1.15 0.00 0.00 33.47 28.93 3mtx s TRP 22 CO 0.87 -2.18 1.08 -1.25 0.02 0.00 0.00 176.95 175.50 3mtx s PRO 23 N -3.15 3.15 -0.22 4.98 0.04 -1.26 -4.88 135.00 133.67 3mtx s PRO 23 Ca 0.74 1.33 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 3mtx s PRO 23 Cb -0.31 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 3mtx s PRO 23 CO 0.35 -0.96 0.56 0.99 0.04 0.00 0.00 177.00 177.98 3mtx s THR 24 N -2.30 5.07 -0.07 1.26 2.01 -1.26 -4.60 115.64 115.75 3mtx s THR 24 Ca 0.66 1.02 -0.11 0.00 0.31 0.00 0.00 61.69 63.57 3mtx s THR 24 Cb -0.19 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 3mtx s THR 24 CO 0.36 0.13 0.28 -1.00 -0.69 0.00 0.00 174.62 173.70 3mtx s HIS 25 N 1.91 3.64 -0.18 4.92 3.76 0.89 -4.92 115.29 125.33 3mtx s HIS 25 Ca 0.25 0.74 -0.24 0.00 -0.15 0.00 0.00 55.06 55.66 3mtx s HIS 25 Cb -0.16 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 3mtx s HIS 25 CO 0.10 0.64 0.78 0.99 -0.85 0.00 0.00 174.74 176.40 3mtx s THR 26 N -0.89 4.91 -0.27 1.30 2.01 -1.26 -1.66 115.64 119.78 3mtx s THR 26 Ca 0.19 1.53 -0.07 0.00 0.31 0.00 0.00 61.69 63.64 3mtx s THR 26 Cb -0.14 -4.09 -0.14 0.00 0.01 0.00 0.00 72.50 68.13 3mtx s THR 26 CO 0.08 0.05 -0.29 0.52 -0.69 0.00 0.00 174.62 174.29 3mtx n VAL 27 N 4.72 1.52 -3.95 3.82 0.31 0.92 -4.97 118.33 120.69 3mtx n VAL 27 Ca 0.03 -0.47 -0.13 0.00 -0.01 0.00 0.00 64.34 63.76 3mtx n VAL 27 Cb 0.49 -1.68 -0.14 0.00 -0.91 0.00 0.00 33.84 31.59 3mtx n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mtx s LYS 29 N 0.04 0.50 0.41 0.00 2.20 -1.25 -0.67 119.74 120.97 3mtx s LYS 29 Ca -0.00 -0.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.53 3mtx s LYS 29 Cb -0.01 -0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 35.92 3mtx s LYS 29 CO -0.00 -1.09 0.18 -1.83 -0.36 0.00 0.00 175.35 172.25 3mtx s GLU 30 N 2.23 1.95 0.22 4.03 -1.05 -0.10 -5.02 118.70 120.97 3mtx s GLU 30 Ca 0.12 -2.19 -0.16 0.00 -0.15 0.00 0.00 54.97 52.58 3mtx s GLU 30 Cb -0.12 -0.35 0.23 0.00 -0.44 0.00 0.00 34.13 33.46 3mtx s GLU 30 CO -0.22 -0.57 1.58 1.05 0.95 0.00 0.00 175.26 178.04 3mtx h GLU 31 N 1.80 -0.06 0.00 -4.83 4.11 -2.01 -2.36 114.58 111.23 3mtx h GLU 31 Ca -0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 3mtx h GLU 31 Cb 1.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3mtx h GLU 31 CO 0.49 -0.04 -0.17 0.09 0.07 0.00 0.00 179.01 179.45 3mtx n ASN 32 N -5.48 2.00 -3.68 3.06 3.02 -1.26 -4.99 115.26 107.93 3mtx n ASN 32 Ca 0.08 -3.16 -0.10 0.00 -0.03 0.00 0.00 54.58 51.37 3mtx n ASN 32 Cb 0.39 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 39.02 3mtx n ASN 32 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3mtx s LEU 33 N -2.67 -0.23 -0.01 3.41 2.96 -0.89 -0.17 118.68 121.08 3mtx s LEU 33 Ca 0.31 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 55.08 3mtx s LEU 33 Cb 0.28 1.20 0.00 0.00 0.50 0.00 0.00 46.19 48.17 3mtx s LEU 33 CO 0.00 -0.21 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.16 3mtx s GLU 34 N 1.88 0.53 -0.04 1.98 2.02 0.15 -0.92 118.70 124.31 3mtx s GLU 34 Ca -0.06 -0.19 -0.02 0.00 0.02 0.00 0.00 54.97 54.73 3mtx s GLU 34 Cb -0.10 -0.53 0.03 0.00 0.10 0.00 0.00 34.13 33.64 3mtx s GLU 34 CO -0.12 0.09 0.08 0.42 0.02 0.00 0.00 175.26 175.76 3mtx s ILE 35 N 0.05 -0.09 0.18 -1.63 1.01 0.16 -0.63 121.20 120.24 3mtx s ILE 35 Ca -0.00 0.27 0.07 0.00 0.00 0.00 0.00 60.65 61.00 3mtx s ILE 35 Cb -0.04 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 3mtx s ILE 35 CO -0.00 0.11 -0.15 -0.31 0.00 0.00 0.00 174.94 174.59 3mtx s TYR 36 N 1.50 1.67 0.04 3.97 2.02 -0.13 -0.06 117.35 126.36 3mtx s TYR 36 Ca -0.04 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.11 3mtx s TYR 36 Cb -0.12 -0.81 -0.03 0.00 -0.40 0.00 0.00 41.96 40.60 3mtx s TYR 36 CO -0.04 0.30 -0.04 1.52 -1.57 0.00 0.00 175.55 175.72 3mtx s TYR 37 N -2.59 0.45 -0.03 2.71 -0.85 -0.67 -0.31 117.35 116.06 3mtx s TYR 37 Ca 0.18 -0.71 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 3mtx s TYR 37 Cb -0.03 -0.30 0.03 0.00 0.38 0.00 0.00 41.96 42.03 3mtx s TYR 37 CO 0.06 -0.22 -0.01 0.21 -1.52 0.00 0.00 175.55 174.07 3mtx s LYS 38 N -2.35 0.43 0.25 -3.49 2.20 -0.82 -0.07 119.74 115.89 3mtx s LYS 38 Ca -0.06 0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.28 3mtx s LYS 38 Cb -0.04 -0.57 -0.10 0.00 -1.51 0.00 0.00 37.83 35.61 3mtx s LYS 38 CO -0.04 -0.12 1.47 0.45 -0.36 0.00 0.00 175.35 176.75 3mtx s SER 39 N 0.99 6.60 -0.03 1.43 0.15 -1.26 -1.76 113.70 119.82 3mtx s SER 39 Ca -0.10 2.72 0.17 0.00 0.70 0.00 0.00 55.95 59.44 3mtx s SER 39 Cb -0.14 -2.62 0.53 0.00 -1.71 0.00 0.00 66.02 62.08 3mtx s SER 39 CO -0.01 -0.74 1.45 0.00 1.20 0.00 0.00 173.24 175.13 3mtx s ASP 41 N -1.04 6.61 0.45 0.00 2.15 -1.24 -4.85 116.67 118.76 3mtx s ASP 41 Ca 0.40 0.49 0.19 0.00 0.43 0.00 0.00 52.55 54.06 3mtx s ASP 41 Cb 0.22 -2.41 1.07 0.00 -0.30 0.00 0.00 42.92 41.50 3mtx s ASP 41 CO 0.24 -0.72 1.96 1.55 -0.17 0.00 0.00 175.17 178.03 3mtx h PRO 42 N 8.37 0.00 -0.83 4.34 0.13 -1.91 -2.71 132.00 139.38 3mtx h PRO 42 Ca -0.24 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.96 3mtx h PRO 42 Cb 1.09 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 3mtx h PRO 42 CO 0.92 0.22 0.50 1.96 -0.23 0.00 0.00 178.00 181.37 3mtx h GLN 43 N 0.00 0.87 -2.35 0.86 4.20 -2.00 -3.41 115.11 113.28 3mtx h GLN 43 Ca -0.00 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.77 3mtx h GLN 43 Cb 0.45 -0.20 -0.14 0.00 0.30 0.00 0.00 27.48 27.90 3mtx h GLN 43 CO 0.03 0.58 0.47 1.14 -0.67 0.00 0.00 178.83 180.37 3mtx s GLN 44 N -6.05 0.92 0.71 1.46 -2.07 -1.02 -5.16 119.66 108.44 3mtx s GLN 44 Ca -0.13 -0.37 -0.03 0.00 -1.82 0.00 0.00 55.36 53.01 3mtx s GLN 44 Cb 0.18 0.40 0.11 0.00 -1.09 0.00 0.00 33.01 32.62 3mtx s GLN 44 CO 0.79 -0.41 0.99 0.34 -1.32 0.00 0.00 175.29 175.68 3mtx s ASP 45 N -2.58 4.44 0.19 12.60 -1.08 -1.26 -4.44 116.67 124.54 3mtx s ASP 45 Ca 0.06 -0.14 -0.11 0.00 -0.52 0.00 0.00 52.55 51.84 3mtx s ASP 45 Cb -0.01 -0.33 -0.00 0.00 -1.46 0.00 0.00 42.92 41.12 3mtx s ASP 45 CO -0.08 -1.79 0.36 0.72 0.52 0.00 0.00 175.17 174.90 3mtx s PHE 46 N -3.16 0.32 -0.13 -5.34 -0.12 -1.26 -4.79 117.98 103.49 3mtx s PHE 46 Ca 0.65 -0.67 -0.04 0.00 -0.05 0.00 0.00 56.93 56.81 3mtx s PHE 46 Cb -0.07 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 3mtx s PHE 46 CO 0.44 -0.80 0.04 0.00 -0.05 0.00 0.00 175.22 174.85 3mtx s ALA 47 N -3.96 3.39 -0.19 1.99 0.00 -0.43 -4.98 121.76 117.58 3mtx s ALA 47 Ca 0.17 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 3mtx s ALA 47 Cb 0.02 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.50 3mtx s ALA 47 CO 0.01 0.44 0.46 0.12 0.00 0.00 0.00 175.76 176.79 3mtx s PHE 48 N -0.41 -0.66 0.02 0.00 2.19 -1.26 -1.20 117.98 116.67 3mtx s PHE 48 Ca 0.09 1.40 -0.02 0.00 0.33 0.00 0.00 56.93 58.73 3mtx s PHE 48 Cb -0.12 0.31 -0.02 0.00 -1.31 0.00 0.00 43.02 41.88 3mtx s PHE 48 CO 0.02 -0.36 0.01 0.45 1.83 0.00 0.00 175.22 177.17 3mtx s SER 49 N 1.28 0.23 -0.15 6.13 0.15 0.30 -4.91 113.70 116.74 3mtx s SER 49 Ca -0.08 -0.52 -0.00 0.00 0.70 0.00 0.00 55.95 56.04 3mtx s SER 49 Cb -0.07 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 3mtx s SER 49 CO -0.12 -0.36 -0.13 -0.63 1.20 0.00 0.00 173.24 173.20 3mtx s ILE 50 N -1.84 2.95 0.19 6.45 1.01 -1.26 -1.13 121.20 127.57 3mtx s ILE 50 Ca -0.12 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 3mtx s ILE 50 Cb -0.07 -2.26 0.10 0.00 0.01 0.00 0.00 42.46 40.25 3mtx s ILE 50 CO -0.02 0.51 1.73 0.44 0.00 0.00 0.00 174.94 177.60 3mtx h ASP 51 N 7.09 0.96 -3.06 3.58 3.32 -1.56 -3.39 116.42 123.36 3mtx h ASP 51 Ca -0.30 -0.20 -0.50 0.00 0.02 0.00 0.00 57.03 56.05 3mtx h ASP 51 Cb 1.20 -0.25 -0.40 0.00 0.22 0.00 0.00 39.33 40.09 3mtx h ASP 51 CO 0.57 0.90 -0.76 -0.60 -1.72 0.00 0.00 179.24 177.63 3mtx s ARG 52 N -5.45 0.27 0.22 3.56 3.52 -1.26 -5.05 118.95 114.76 3mtx s ARG 52 Ca -0.12 -0.31 -0.08 0.00 -0.13 0.00 0.00 55.73 55.08 3mtx s ARG 52 Cb 0.14 -1.78 0.31 0.00 -1.56 0.00 0.00 34.95 32.06 3mtx s ARG 52 CO 0.82 -0.75 1.78 0.00 -0.81 0.00 0.00 175.30 176.34 3mtx n SER 54 N -4.86 0.54 0.28 0.00 3.41 -1.26 -1.62 113.62 110.11 3mtx n SER 54 Ca 0.10 0.69 0.18 0.00 -0.26 0.00 0.00 58.87 59.58 3mtx n SER 54 Cb 0.25 -0.79 0.76 0.00 -0.26 0.00 0.00 64.21 64.17 3mtx n SER 54 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3mtx h ASP 55 N 0.00 0.00 -0.16 4.04 3.32 -1.58 -2.93 116.42 119.11 3mtx h ASP 55 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 3mtx h ASP 55 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3mtx h ASP 55 CO 0.00 0.00 0.15 -0.37 -1.72 0.00 0.00 179.24 177.30 3mtx h VAL 56 N 0.00 0.65 0.00 -1.35 -1.51 -1.47 -0.92 116.25 111.64 3mtx h VAL 56 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3mtx h VAL 56 Cb 0.42 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 3mtx h VAL 56 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 177.05 3mtx h THR 57 N 0.00 0.00 -0.02 7.19 1.35 -1.74 -2.28 112.91 117.41 3mtx h THR 57 Ca 0.08 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3mtx h THR 57 Cb 0.37 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3mtx h THR 57 CO -0.00 0.00 -0.01 0.35 -0.25 0.00 0.00 175.52 175.61 3mtx n THR 58 N -2.87 0.00 -0.14 6.82 -2.24 -0.35 -4.93 114.28 110.56 3mtx n THR 58 Ca -0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3mtx n THR 58 Cb 0.22 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3mtx n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mtx n HIS 59 N 0.54 0.00 -4.40 4.78 1.44 -0.86 -4.93 115.22 111.79 3mtx n HIS 59 Ca 0.17 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.55 3mtx n HIS 59 Cb 0.44 -0.84 -0.16 0.00 0.12 0.00 0.00 29.99 29.55 3mtx n HIS 59 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3mtx s THR 60 N -1.54 2.17 0.06 0.61 2.01 -1.26 -2.16 115.64 115.52 3mtx s THR 60 Ca 0.00 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 3mtx s THR 60 Cb 0.00 -1.89 0.02 0.00 0.01 0.00 0.00 72.50 70.63 3mtx s THR 60 CO 0.00 0.54 0.30 0.72 -0.69 0.00 0.00 174.62 175.48 3mtx s PHE 61 N 1.03 -0.08 -0.11 4.92 -0.71 -0.85 -4.72 117.98 117.47 3mtx s PHE 61 Ca -0.01 -0.11 -0.13 0.00 -1.04 0.00 0.00 56.93 55.63 3mtx s PHE 61 Cb -0.14 0.09 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 3mtx s PHE 61 CO -0.06 -0.53 0.32 -0.51 -1.34 0.00 0.00 175.22 173.10 3mtx s ASP 62 N -2.23 6.54 0.33 1.98 1.01 -1.26 -0.92 116.67 122.13 3mtx s ASP 62 Ca -0.03 0.64 0.07 0.00 0.71 0.00 0.00 52.55 53.95 3mtx s ASP 62 Cb 0.00 -2.19 -0.07 0.00 1.01 0.00 0.00 42.92 41.67 3mtx s ASP 62 CO -0.05 0.19 -0.04 0.27 0.21 0.00 0.00 175.17 175.75 3mtx s ILE 63 N -0.13 1.87 -0.05 0.77 -4.36 -0.03 -1.33 121.20 117.95 3mtx s ILE 63 Ca 0.19 -2.11 0.04 0.00 -0.26 0.00 0.00 60.65 58.50 3mtx s ILE 63 Cb -0.14 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 40.90 3mtx s ILE 63 CO 0.07 -0.17 -0.16 -0.13 0.24 0.00 0.00 174.94 174.79 3mtx s ARG 64 N -3.70 1.76 -0.00 0.37 1.81 -0.28 -1.82 118.95 117.09 3mtx s ARG 64 Ca 0.32 -0.56 -0.07 0.00 -1.72 0.00 0.00 55.73 53.71 3mtx s ARG 64 Cb 0.05 -1.50 0.00 0.00 -0.45 0.00 0.00 34.95 33.05 3mtx s ARG 64 CO 0.15 0.19 0.13 0.00 -0.68 0.00 0.00 175.30 175.09 3mtx s ALA 65 N 0.18 -0.30 -0.13 2.13 0.00 0.05 -0.54 121.76 123.15 3mtx s ALA 65 Ca -0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 3mtx s ALA 65 Cb -0.12 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.12 3mtx s ALA 65 CO 0.03 -0.19 0.34 0.00 0.00 0.00 0.00 175.76 175.94 3mtx s ALA 66 N -1.25 -0.85 0.06 0.00 0.00 -0.34 -1.26 121.76 118.12 3mtx s ALA 66 Ca -0.13 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 52.70 3mtx s ALA 66 Cb -0.07 -0.65 0.05 0.00 0.00 0.00 0.00 23.12 22.45 3mtx s ALA 66 CO 0.01 -0.19 0.50 0.00 0.00 0.00 0.00 175.76 176.08 3mtx s MET 67 N 0.59 1.03 -0.06 0.00 0.23 -0.45 -1.32 119.30 119.32 3mtx s MET 67 Ca -0.03 -0.29 -0.26 0.00 -1.03 0.00 0.00 55.69 54.07 3mtx s MET 67 Cb -0.05 0.47 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 3mtx s MET 67 CO -0.04 -0.37 0.83 0.08 -2.03 0.00 0.00 175.02 173.49 3mtx s VAL 68 N -2.58 4.95 -0.24 5.16 1.01 -1.26 0.12 120.40 127.56 3mtx s VAL 68 Ca -0.05 1.72 -0.27 0.00 0.00 0.00 0.00 61.98 63.38 3mtx s VAL 68 Cb -0.01 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3mtx s VAL 68 CO -0.03 0.18 0.96 -0.22 0.00 0.00 0.00 175.10 175.99 3mtx s LEU 69 N 1.10 4.08 0.00 3.92 2.96 0.06 -4.92 118.68 125.88 3mtx s LEU 69 Ca 0.43 1.22 0.16 0.00 -0.22 0.00 0.00 54.13 55.73 3mtx s LEU 69 Cb -0.19 -3.41 0.22 0.00 0.50 0.00 0.00 46.19 43.31 3mtx s LEU 69 CO 0.21 -0.63 1.12 0.54 -1.32 0.00 0.00 176.35 176.26 3mtx n ARG 70 N 6.25 1.69 -4.00 1.98 5.12 -1.26 0.39 116.66 126.83 3mtx n ARG 70 Ca 0.10 -1.70 -0.09 0.00 -1.93 0.00 0.00 57.85 54.23 3mtx n ARG 70 Cb 0.47 -1.34 -0.11 0.00 -1.16 0.00 0.00 32.46 30.32 3mtx n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3mtx s GLN 71 N -1.28 0.41 0.39 5.56 -1.52 -1.26 -4.85 119.66 117.11 3mtx s GLN 71 Ca 0.23 -0.78 -0.26 0.00 -1.95 0.00 0.00 55.36 52.60 3mtx s GLN 71 Cb 0.15 0.15 -0.11 0.00 -0.22 0.00 0.00 33.01 32.98 3mtx s GLN 71 CO 0.21 -0.07 1.24 0.45 -0.25 0.00 0.00 175.29 176.87 3mtx n SER 72 N 1.15 2.44 -1.53 5.90 2.88 -1.26 -4.45 113.62 118.75 3mtx n SER 72 Ca -0.21 1.13 -0.14 0.00 -1.33 0.00 0.00 58.87 58.32 3mtx n SER 72 Cb 0.57 -1.47 0.11 0.00 -0.75 0.00 0.00 64.21 62.66 3mtx n SER 72 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3mtx n ILE 73 N -0.07 2.55 -0.32 2.46 -5.35 -1.26 -4.71 119.36 112.66 3mtx n ILE 73 Ca 0.06 -3.59 0.13 0.00 -0.27 0.00 0.00 62.75 59.08 3mtx n ILE 73 Cb 0.38 -0.76 0.31 0.00 -1.74 0.00 0.00 39.64 37.84 3mtx n ILE 73 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3mtx h LYS 74 N 1.64 0.49 -6.17 6.28 1.63 -1.92 -3.33 116.57 115.19 3mtx h LYS 74 Ca 0.27 -0.03 -0.67 0.00 -0.85 0.00 0.00 60.65 59.37 3mtx h LYS 74 Cb 1.37 -0.11 -0.31 0.00 -0.60 0.00 0.00 32.23 32.58 3mtx h LYS 74 CO 0.57 0.32 -0.88 -1.21 -3.45 0.00 0.00 179.45 174.81 3mtx s GLU 75 N -5.87 2.16 -0.08 1.90 2.02 -1.26 -4.20 118.70 113.37 3mtx s GLU 75 Ca -0.11 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.03 3mtx s GLU 75 Cb 0.25 -1.97 0.02 0.00 0.10 0.00 0.00 34.13 32.53 3mtx s GLU 75 CO 0.78 0.45 -0.10 -1.17 0.02 0.00 0.00 175.26 175.24 3mtx s LEU 76 N -0.37 1.47 0.02 1.80 2.96 -0.10 -2.52 118.68 121.94 3mtx s LEU 76 Ca 0.03 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3mtx s LEU 76 Cb -0.11 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 3mtx s LEU 76 CO 0.01 -0.03 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.52 3mtx s TYR 77 N 1.07 1.65 -0.04 5.38 2.02 0.60 -0.25 117.35 127.78 3mtx s TYR 77 Ca -0.07 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.35 3mtx s TYR 77 Cb -0.14 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3mtx s TYR 77 CO -0.01 0.03 -0.21 0.00 -1.57 0.00 0.00 175.55 173.79 3mtx s ALA 78 N -0.64 2.35 -0.09 3.71 0.00 0.16 -1.14 121.76 126.10 3mtx s ALA 78 Ca 0.06 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.99 3mtx s ALA 78 Cb -0.08 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3mtx s ALA 78 CO 0.01 0.52 -0.15 0.21 0.00 0.00 0.00 175.76 176.35 3mtx s LYS 79 N -0.58 2.10 -0.11 0.00 2.20 -0.24 -0.92 119.74 122.18 3mtx s LYS 79 Ca 0.09 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 3mtx s LYS 79 Cb -0.11 -1.74 0.01 0.00 -1.51 0.00 0.00 37.83 34.48 3mtx s LYS 79 CO 0.00 -0.00 -0.18 0.08 -0.36 0.00 0.00 175.35 174.89 3mtx s VAL 80 N 0.80 1.69 -0.05 4.02 1.01 0.46 -1.12 120.40 127.21 3mtx s VAL 80 Ca -0.11 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3mtx s VAL 80 Cb -0.16 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3mtx s VAL 80 CO 0.02 0.48 -0.25 -1.81 0.00 0.00 0.00 175.10 173.54 3mtx s ASP 81 N 0.84 3.00 -0.22 3.32 1.01 0.04 -0.69 116.67 123.96 3mtx s ASP 81 Ca -0.09 -0.50 -0.07 0.00 0.71 0.00 0.00 52.55 52.61 3mtx s ASP 81 Cb -0.15 -0.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.97 3mtx s ASP 81 CO 0.00 0.24 0.05 -0.22 0.21 0.00 0.00 175.17 175.46 3mtx s LEU 82 N -0.19 3.49 -0.11 1.23 2.96 0.11 -1.49 118.68 124.68 3mtx s LEU 82 Ca -0.02 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3mtx s LEU 82 Cb -0.13 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3mtx s LEU 82 CO 0.03 0.03 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.28 3mtx s ILE 83 N 1.20 1.71 -0.11 6.68 1.01 0.10 -1.12 121.20 130.67 3mtx s ILE 83 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3mtx s ILE 83 Cb -0.14 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.83 3mtx s ILE 83 CO 0.03 0.48 -0.01 -0.63 0.00 0.00 0.00 174.94 174.81 3mtx s ILE 84 N 0.79 0.59 -1.41 2.92 1.01 -0.33 -1.22 121.20 123.55 3mtx s ILE 84 Ca -0.10 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 3mtx s ILE 84 Cb -0.16 -0.78 0.04 0.00 0.01 0.00 0.00 42.46 41.58 3mtx s ILE 84 CO 0.01 0.20 1.02 0.59 0.00 0.00 0.00 174.94 176.75 3mtx n ASN 85 N 5.07 -4.56 0.00 3.58 3.02 -1.26 -1.73 115.26 119.38 3mtx n ASN 85 Ca -0.09 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 3mtx n ASN 85 Cb 0.49 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 3mtx n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mtx n GLY 86 N -1.73 2.44 3.61 7.41 0.00 -1.26 -5.00 105.19 110.66 3mtx n GLY 86 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3mtx n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtx s LYS 87 N -0.01 3.94 -0.47 1.61 3.01 -0.71 -5.05 119.74 122.07 3mtx s LYS 87 Ca 0.00 -0.36 -0.29 0.00 -1.01 0.00 0.00 55.97 54.32 3mtx s LYS 87 Cb 0.00 -3.24 0.02 0.00 -1.01 0.00 0.00 37.83 33.60 3mtx s LYS 87 CO 0.00 0.21 1.33 0.99 0.51 0.00 0.00 175.35 178.39 3mtx s THR 88 N 0.54 3.96 -0.19 2.17 2.01 -1.26 -1.19 115.64 121.68 3mtx s THR 88 Ca 0.03 0.95 0.22 0.00 0.31 0.00 0.00 61.69 63.20 3mtx s THR 88 Cb -0.13 -4.39 -0.18 0.00 0.01 0.00 0.00 72.50 67.81 3mtx s THR 88 CO 0.01 -0.95 0.76 1.33 -0.69 0.00 0.00 174.62 175.09 3mtx n VAL 89 N 6.96 0.26 -3.67 3.82 0.24 -0.27 -4.94 118.33 120.72 3mtx n VAL 89 Ca 0.14 -0.48 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 3mtx n VAL 89 Cb 0.49 -0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.68 3mtx n VAL 89 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3mtx s LEU 90 N -4.75 -0.17 -0.04 1.34 0.20 -1.18 -5.00 118.68 109.07 3mtx s LEU 90 Ca -0.04 1.08 -0.03 0.00 0.69 0.00 0.00 54.13 55.84 3mtx s LEU 90 Cb 0.12 1.97 0.02 0.00 -0.43 0.00 0.00 46.19 47.87 3mtx s LEU 90 CO 0.85 -0.24 0.10 -0.55 -0.29 0.00 0.00 176.35 176.22 3mtx s SER 91 N 0.14 -0.08 0.07 3.68 0.15 -1.26 0.05 113.70 116.45 3mtx s SER 91 Ca -0.01 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.84 3mtx s SER 91 Cb -0.04 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 3mtx s SER 91 CO 0.02 -0.07 -0.05 -0.72 1.20 0.00 0.00 173.24 173.62 3mtx s TYR 92 N 0.42 0.66 -0.02 3.44 -0.85 0.14 -4.99 117.35 116.15 3mtx s TYR 92 Ca -0.03 -0.99 0.03 0.00 -0.52 0.00 0.00 57.07 55.57 3mtx s TYR 92 Cb -0.04 -0.44 -0.00 0.00 0.38 0.00 0.00 41.96 41.85 3mtx s TYR 92 CO -0.02 -0.28 -0.11 -1.12 -1.52 0.00 0.00 175.55 172.50 3mtx s SER 93 N -2.91 1.37 0.00 -0.18 0.01 -1.26 -0.41 113.70 110.32 3mtx s SER 93 Ca 0.08 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.16 3mtx s SER 93 Cb 0.06 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 3mtx s SER 93 CO -0.08 0.12 -0.09 -0.70 0.41 0.00 0.00 173.24 172.90 3mtx s GLU 94 N -0.11 0.71 -0.20 12.44 2.56 -0.10 -4.97 118.70 129.02 3mtx s GLU 94 Ca 0.02 -0.39 -0.19 0.00 0.00 0.00 0.00 54.97 54.40 3mtx s GLU 94 Cb -0.06 -0.67 -0.03 0.00 2.00 0.00 0.00 34.13 35.37 3mtx s GLU 94 CO -0.00 0.18 0.54 0.99 -0.56 0.00 0.00 175.26 176.40 3mtx s THR 95 N -0.37 5.09 -0.18 -1.70 2.01 -1.26 -0.67 115.64 118.56 3mtx s THR 95 Ca 0.02 0.99 -0.01 0.00 0.31 0.00 0.00 61.69 62.99 3mtx s THR 95 Cb -0.04 -3.86 -0.22 0.00 0.01 0.00 0.00 72.50 68.39 3mtx s THR 95 CO -0.00 0.16 0.12 0.18 -0.69 0.00 0.00 174.62 174.39 3mtx n LEU 96 N 4.87 2.62 -3.84 4.42 4.77 0.65 -4.79 117.00 125.69 3mtx n LEU 96 Ca -0.04 0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 3mtx n LEU 96 Cb 0.50 -0.92 -0.15 0.00 -2.33 0.00 0.00 43.42 40.52 3mtx n LEU 96 CO 0.42 0.86 -0.36 0.00 -1.33 0.00 0.00 177.39 176.98 3mtx n GLY 98 N 3.55 0.22 3.66 0.00 0.00 -1.26 -0.93 105.19 110.44 3mtx n GLY 98 Ca -0.19 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3mtx n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mtx n PRO 99 N -0.15 2.86 -1.38 1.61 -0.02 -1.26 -1.01 135.00 135.64 3mtx n PRO 99 Ca 0.00 1.05 -0.13 0.00 -2.02 0.00 0.00 63.50 62.39 3mtx n PRO 99 Cb 0.00 -3.00 -0.06 0.00 -0.02 0.00 0.00 33.50 30.43 3mtx n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mtx n GLY 100 N 4.53 1.36 0.26 -1.23 0.00 -1.26 -4.83 105.19 104.01 3mtx n GLY 100 Ca 0.20 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.01 3mtx n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mtx n LEU 101 N -1.51 0.45 -4.67 0.99 4.77 -0.18 -5.09 117.00 111.76 3mtx n LEU 101 Ca -0.13 -1.04 -0.41 0.00 -0.03 0.00 0.00 56.01 54.39 3mtx n LEU 101 Cb 0.50 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3mtx n LEU 101 CO 0.20 0.25 0.61 -0.44 -1.33 0.00 0.00 177.39 176.69 3mtx s SER 102 N -0.94 6.98 -0.02 -1.43 0.01 -1.20 -4.23 113.70 112.88 3mtx s SER 102 Ca 0.04 1.20 0.15 0.00 1.31 0.00 0.00 55.95 58.66 3mtx s SER 102 Cb 0.04 -2.46 -0.22 0.00 0.21 0.00 0.00 66.02 63.59 3mtx s SER 102 CO 0.00 -0.39 0.43 0.29 0.41 0.00 0.00 173.24 173.98 3mtx n LYS 103 N 5.15 0.93 -5.19 12.44 5.02 -0.05 -4.98 118.16 131.48 3mtx n LYS 103 Ca 0.04 -0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 55.92 3mtx n LYS 103 Cb 0.49 -1.32 -0.15 0.00 -0.02 0.00 0.00 35.03 34.02 3mtx n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mtx s LEU 104 N -3.68 2.24 0.52 -0.35 1.43 -1.25 -5.03 118.68 112.56 3mtx s LEU 104 Ca -0.02 -0.40 0.19 0.00 -1.03 0.00 0.00 54.13 52.86 3mtx s LEU 104 Cb 0.10 -1.40 1.32 0.00 0.03 0.00 0.00 46.19 46.24 3mtx s LEU 104 CO 0.64 0.31 2.13 -0.29 0.23 0.00 0.00 176.35 179.37 3mtx h ILE 105 N 4.54 0.92 -0.00 -0.59 6.09 -1.97 -1.83 117.51 124.67 3mtx h ILE 105 Ca -0.42 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 3mtx h ILE 105 Cb 1.14 1.09 0.00 0.00 0.47 0.00 0.00 36.82 39.51 3mtx h ILE 105 CO 0.48 0.04 -0.01 2.22 -3.07 0.00 0.00 178.15 177.81 3mtx n PHE 106 N -4.33 0.00 -1.49 2.19 1.16 -1.26 -4.80 117.46 108.93 3mtx n PHE 106 Ca -0.03 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.14 3mtx n PHE 106 Cb 0.13 -0.07 0.01 0.00 -1.61 0.00 0.00 39.48 37.94 3mtx n PHE 106 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3mtx n GLY 108 N 1.67 1.05 3.77 0.00 0.00 -1.26 -5.03 105.19 105.39 3mtx n GLY 108 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3mtx n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtx s LYS 109 N -0.59 4.13 0.48 1.61 -0.14 -0.96 -4.99 119.74 119.28 3mtx s LYS 109 Ca 0.00 2.54 -0.13 0.00 -1.36 0.00 0.00 55.97 57.02 3mtx s LYS 109 Cb 0.00 -2.98 -0.07 0.00 -1.68 0.00 0.00 37.83 33.10 3mtx s LYS 109 CO 0.00 -0.52 0.90 0.15 -0.76 0.00 0.00 175.35 175.12 3mtx s LYS 110 N -1.85 3.82 0.13 1.68 -0.14 -1.26 -4.48 119.74 117.65 3mtx s LYS 110 Ca 0.54 0.70 -0.35 0.00 -1.36 0.00 0.00 55.97 55.50 3mtx s LYS 110 Cb -0.46 -2.24 -0.16 0.00 -1.68 0.00 0.00 37.83 33.29 3mtx s LYS 110 CO 0.60 -0.21 1.35 1.17 -0.76 0.00 0.00 175.35 177.50 3mtx n LYS 111 N -1.65 1.42 0.00 1.68 4.81 -1.26 -1.91 118.16 121.25 3mtx n LYS 111 Ca 0.05 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3mtx n LYS 111 Cb 0.54 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.45 3mtx n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mtx n GLY 112 N 2.53 1.37 3.77 3.14 0.00 0.16 -5.02 105.19 111.15 3mtx n GLY 112 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3mtx n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mtx s GLU 113 N -0.83 3.23 -0.34 1.61 0.41 -0.80 -4.68 118.70 117.30 3mtx s GLU 113 Ca 0.00 1.56 -0.22 0.00 -0.41 0.00 0.00 54.97 55.89 3mtx s GLU 113 Cb 0.00 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 3mtx s GLU 113 CO 0.00 -0.94 0.74 -1.01 -0.49 0.00 0.00 175.26 173.56 3mtx s HIS 114 N -1.91 3.16 -0.09 1.61 3.76 -1.26 -0.76 115.29 119.79 3mtx s HIS 114 Ca 0.71 0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 56.07 3mtx s HIS 114 Cb -0.23 -3.24 -0.05 0.00 1.11 0.00 0.00 32.58 30.17 3mtx s HIS 114 CO 0.30 -0.63 0.38 -1.17 -0.85 0.00 0.00 174.74 172.77 3mtx s LEU 115 N 2.92 4.34 -0.09 0.89 0.20 0.33 -4.94 118.68 122.34 3mtx s LEU 115 Ca 0.29 0.76 0.02 0.00 0.69 0.00 0.00 54.13 55.89 3mtx s LEU 115 Cb -0.14 -2.52 0.01 0.00 -0.43 0.00 0.00 46.19 43.11 3mtx s LEU 115 CO 0.15 0.17 -0.13 -0.31 -0.29 0.00 0.00 176.35 175.93 3mtx s TYR 116 N -0.12 1.67 -0.09 5.38 1.51 -1.26 -1.35 117.35 123.09 3mtx s TYR 116 Ca 0.22 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 3mtx s TYR 116 Cb -0.15 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 3mtx s TYR 116 CO 0.09 -0.38 -0.17 -0.47 -1.11 0.00 0.00 175.55 173.51 3mtx s TYR 117 N 0.89 2.03 -0.10 2.71 5.04 -0.39 -5.00 117.35 122.53 3mtx s TYR 117 Ca -0.10 -0.86 -0.01 0.00 -2.44 0.00 0.00 57.07 53.66 3mtx s TYR 117 Cb -0.15 -1.42 0.03 0.00 0.35 0.00 0.00 41.96 40.76 3mtx s TYR 117 CO 0.01 -0.40 -0.06 -1.21 -1.34 0.00 0.00 175.55 172.55 3mtx s GLU 118 N 0.67 1.31 0.00 4.97 2.02 -1.26 -0.77 118.70 125.63 3mtx s GLU 118 Ca -0.13 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.69 3mtx s GLU 118 Cb -0.16 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.63 3mtx s GLU 118 CO 0.03 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.45 3mtx n GLY 119 N 4.98 -1.73 3.78 -1.39 0.00 -0.75 -5.00 105.19 105.07 3mtx n GLY 119 Ca -0.11 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 3mtx n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mtx s PRO 120 N -1.79 2.94 -0.03 1.61 0.04 -1.26 -0.85 135.00 135.67 3mtx s PRO 120 Ca 0.00 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.38 3mtx s PRO 120 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3mtx s PRO 120 CO 0.00 -1.13 -0.09 0.42 0.04 0.00 0.00 177.00 176.24 3mtx s ILE 121 N -2.41 0.83 -0.19 0.56 -1.09 -0.09 -4.86 121.20 113.96 3mtx s ILE 121 Ca 0.66 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.69 3mtx s ILE 121 Cb -0.19 -0.75 0.05 0.00 -1.58 0.00 0.00 42.46 39.99 3mtx s ILE 121 CO 0.41 0.26 -0.04 -0.89 -1.23 0.00 0.00 174.94 173.45 3mtx s THR 122 N 0.26 1.12 -0.09 2.92 2.01 -1.26 -2.00 115.64 118.60 3mtx s THR 122 Ca -0.05 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 60.98 3mtx s THR 122 Cb -0.10 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 3mtx s THR 122 CO 0.01 0.02 0.62 -0.76 -0.69 0.00 0.00 174.62 173.83 3mtx s LEU 123 N 1.61 4.30 0.00 4.42 1.43 -0.92 -4.96 118.68 124.57 3mtx s LEU 123 Ca -0.01 1.06 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 3mtx s LEU 123 Cb -0.16 -2.95 -0.14 0.00 0.03 0.00 0.00 46.19 42.96 3mtx s LEU 123 CO -0.07 -0.08 2.86 0.61 0.23 0.00 0.00 176.35 179.89 3mtx n GLY 124 N 3.17 2.75 3.57 -3.19 0.00 -1.26 -4.82 105.19 105.41 3mtx n GLY 124 Ca -0.03 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 3mtx n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtx s ILE 125 N 0.55 4.44 0.00 -0.61 1.01 -1.26 -5.04 121.20 120.29 3mtx s ILE 125 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.85 3mtx s ILE 125 Cb 0.17 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3mtx s ILE 125 CO 0.00 0.46 0.41 1.17 0.00 0.00 0.00 174.94 176.98 3mtx n LYS 126 N 3.64 0.00 -2.71 2.79 4.81 -1.26 -4.27 118.16 121.15 3mtx n LYS 126 Ca -0.17 0.24 -0.42 0.00 -0.87 0.00 0.00 58.31 57.09 3mtx n LYS 126 Cb 0.52 -1.02 -0.03 0.00 0.02 0.00 0.00 35.03 34.53 3mtx n LYS 126 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3mtx s GLU 127 N -1.29 3.35 -0.04 1.64 2.02 -1.26 -4.97 118.70 118.15 3mtx s GLU 127 Ca 0.00 -0.94 -0.34 0.00 0.02 0.00 0.00 54.97 53.71 3mtx s GLU 127 Cb 0.00 -4.65 -0.12 0.00 0.10 0.00 0.00 34.13 29.46 3mtx s GLU 127 CO 0.00 -2.00 1.83 -0.89 0.02 0.00 0.00 175.26 174.22 3mtx n ILE 128 N 6.21 0.48 -2.57 -1.63 -0.00 -1.26 -4.88 119.36 115.71 3mtx n ILE 128 Ca 0.13 -0.09 -0.37 0.00 -0.00 0.00 0.00 62.75 62.43 3mtx n ILE 128 Cb 0.49 -1.82 -0.04 0.00 -0.00 0.00 0.00 39.64 38.26 3mtx n ILE 128 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 3mtx s PRO 129 N 3.49 4.23 0.34 0.38 0.02 -1.26 -5.06 135.00 137.14 3mtx s PRO 129 Ca 0.90 1.50 -0.03 0.00 0.02 0.00 0.00 61.00 63.39 3mtx s PRO 129 Cb -0.69 -2.59 0.07 0.00 0.02 0.00 0.00 34.50 31.32 3mtx s PRO 129 CO 0.49 -0.08 0.46 0.00 -0.33 0.00 0.00 177.00 177.54 3mtx n GLN 130 N 0.04 -0.03 0.00 5.54 0.00 -1.26 -4.90 117.38 116.77 3mtx n GLN 130 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 57.00 56.05 3mtx n GLN 130 Cb 0.49 -0.39 0.00 0.00 0.00 0.00 0.00 30.24 30.35 3mtx n GLN 130 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3mtx n ARG 131 N -1.91 0.00 -4.28 2.61 0.00 -0.78 -4.71 116.66 107.58 3mtx n ARG 131 Ca 0.07 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.58 3mtx n ARG 131 Cb 0.24 0.00 -0.13 0.00 -0.00 0.00 0.00 32.46 32.57 3mtx n ARG 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3mtx s ASP 132 N -4.00 4.70 0.24 2.89 1.01 -1.26 -1.68 116.67 118.57 3mtx s ASP 132 Ca 0.00 -0.19 -0.16 0.00 0.71 0.00 0.00 52.55 52.91 3mtx s ASP 132 Cb 0.00 -1.78 0.01 0.00 1.01 0.00 0.00 42.92 42.16 3mtx s ASP 132 CO 0.00 0.12 0.54 -0.72 0.21 0.00 0.00 175.17 175.32 3mtx s TYR 133 N 0.67 0.10 -0.03 4.23 -0.85 -0.50 -4.71 117.35 116.25 3mtx s TYR 133 Ca -0.02 -0.48 0.07 0.00 -0.52 0.00 0.00 57.07 56.12 3mtx s TYR 133 Cb -0.14 0.37 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 3mtx s TYR 133 CO 0.02 -1.03 -0.24 0.99 -1.52 0.00 0.00 175.55 173.78 3mtx s THR 134 N -3.95 1.89 -0.21 -3.49 2.01 -0.36 -0.21 115.64 111.33 3mtx s THR 134 Ca 0.16 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 3mtx s THR 134 Cb -0.02 -1.58 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 3mtx s THR 134 CO 0.05 0.53 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.81 3mtx s ILE 135 N -0.41 3.12 -0.19 1.82 1.01 -0.24 0.00 121.20 126.32 3mtx s ILE 135 Ca 0.05 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 3mtx s ILE 135 Cb -0.11 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3mtx s ILE 135 CO 0.01 0.45 0.05 -0.89 0.00 0.00 0.00 174.94 174.56 3mtx s THR 136 N 1.37 4.61 -0.07 2.92 2.01 -0.56 0.59 115.64 126.51 3mtx s THR 136 Ca 0.05 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 61.99 3mtx s THR 136 Cb -0.14 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.29 3mtx s THR 136 CO -0.05 0.45 -0.20 0.00 -0.69 0.00 0.00 174.62 174.13 3mtx s ALA 137 N 0.55 1.82 -0.06 7.40 0.00 -0.33 -0.78 121.76 130.36 3mtx s ALA 137 Ca 0.02 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.20 3mtx s ALA 137 Cb -0.13 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.34 3mtx s ALA 137 CO 0.01 0.27 -0.09 0.50 0.00 0.00 0.00 175.76 176.45 3mtx s ARG 138 N 0.27 1.39 -0.17 0.00 3.52 -0.27 -1.09 118.95 122.60 3mtx s ARG 138 Ca -0.12 -0.29 -0.07 0.00 -0.13 0.00 0.00 55.73 55.11 3mtx s ARG 138 Cb -0.15 -1.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.95 3mtx s ARG 138 CO 0.05 -0.05 0.08 -0.51 -0.81 0.00 0.00 175.30 174.07 3mtx s LEU 139 N 0.89 3.93 0.21 -0.88 1.43 0.45 -1.08 118.68 123.63 3mtx s LEU 139 Ca -0.11 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3mtx s LEU 139 Cb -0.15 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 3mtx s LEU 139 CO 0.01 0.22 -0.00 0.42 0.23 0.00 0.00 176.35 177.23 3mtx s THR 140 N 0.08 0.93 0.11 5.49 -4.23 -0.29 0.67 115.64 118.39 3mtx s THR 140 Ca 0.06 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3mtx s THR 140 Cb -0.12 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.46 3mtx s THR 140 CO 0.00 -0.37 0.03 -0.46 -0.54 0.00 0.00 174.62 173.28 3mtx n ASN 141 N -0.36 1.94 0.34 3.99 0.23 -0.71 -0.29 115.26 120.40 3mtx n ASN 141 Ca -0.05 -1.42 0.16 0.00 -0.53 0.00 0.00 54.58 52.73 3mtx n ASN 141 Cb 0.64 0.04 0.85 0.00 -2.08 0.00 0.00 39.78 39.23 3mtx n ASN 141 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3mtx h GLU 142 N 0.00 0.00 -0.43 -3.83 9.09 -1.77 0.09 114.58 117.73 3mtx h GLU 142 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 3mtx h GLU 142 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 3mtx h GLU 142 CO 0.13 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.94 3mtx n ASP 143 N -2.90 4.08 -0.80 3.06 8.00 -1.26 -4.94 116.55 121.80 3mtx n ASP 143 Ca -0.02 -2.58 -0.10 0.00 0.71 0.00 0.00 54.79 52.80 3mtx n ASP 143 Cb 0.36 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 40.93 3mtx n ASP 143 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3mtx n ARG 144 N 0.36 -1.72 -2.73 -1.24 3.00 0.02 -4.97 116.66 109.38 3mtx n ARG 144 Ca 0.21 0.83 -0.38 0.00 -0.01 0.00 0.00 57.85 58.50 3mtx n ARG 144 Cb 0.80 -5.22 -0.06 0.00 0.00 0.00 0.00 32.46 27.98 3mtx n ARG 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3mtx s ALA 145 N -1.83 3.27 -0.12 7.54 0.00 -1.26 -4.71 121.76 124.64 3mtx s ALA 145 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 3mtx s ALA 145 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3mtx s ALA 145 CO 0.00 0.14 1.32 0.99 0.00 0.00 0.00 175.76 178.20 3mtx s THR 146 N -1.41 4.13 -0.16 0.00 2.01 -1.26 -1.73 115.64 117.22 3mtx s THR 146 Ca 0.47 1.40 0.03 0.00 0.31 0.00 0.00 61.69 63.89 3mtx s THR 146 Cb -0.23 -3.90 -0.23 0.00 0.01 0.00 0.00 72.50 68.15 3mtx s THR 146 CO 0.29 -0.09 0.20 0.52 -0.69 0.00 0.00 174.62 174.85 3mtx n VAL 147 N 5.21 1.61 -3.52 3.82 0.31 0.21 -4.88 118.33 121.08 3mtx n VAL 147 Ca 0.14 -0.69 -0.13 0.00 -0.01 0.00 0.00 64.34 63.65 3mtx n VAL 147 Cb 0.45 -1.34 -0.04 0.00 -0.91 0.00 0.00 33.84 32.00 3mtx n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mtx s ALA 148 N -2.54 -1.40 -0.22 3.52 0.00 -1.08 -4.78 121.76 115.25 3mtx s ALA 148 Ca -0.21 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 3mtx s ALA 148 Cb 0.07 0.57 0.07 0.00 0.00 0.00 0.00 23.12 23.83 3mtx s ALA 148 CO 0.74 -0.61 0.55 0.00 0.00 0.00 0.00 175.76 176.44 3mtx s ALA 150 N 1.22 -0.54 -0.27 0.00 0.00 -0.25 -1.42 121.76 120.51 3mtx s ALA 150 Ca -0.07 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 3mtx s ALA 150 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3mtx s ALA 150 CO -0.12 -0.17 0.29 -0.51 0.00 0.00 0.00 175.76 175.25 3mtx s ASP 151 N -0.63 6.16 -0.35 0.00 1.01 -0.72 -1.18 116.67 120.95 3mtx s ASP 151 Ca -0.07 0.17 -0.14 0.00 0.71 0.00 0.00 52.55 53.22 3mtx s ASP 151 Cb -0.04 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 3mtx s ASP 151 CO 0.01 -0.11 0.29 -0.36 0.21 0.00 0.00 175.17 175.21 3mtx s PHE 152 N 1.84 3.22 -0.18 4.23 0.08 0.20 -1.95 117.98 125.42 3mtx s PHE 152 Ca 0.11 -0.23 -0.20 0.00 0.12 0.00 0.00 56.93 56.74 3mtx s PHE 152 Cb -0.16 -2.56 -0.03 0.00 -0.57 0.00 0.00 43.02 39.70 3mtx s PHE 152 CO 0.10 -0.43 0.58 0.99 -0.10 0.00 0.00 175.22 176.36 3mtx s THR 153 N 1.81 5.07 -0.06 0.64 2.01 0.58 -1.08 115.64 124.62 3mtx s THR 153 Ca 0.08 1.10 0.05 0.00 0.31 0.00 0.00 61.69 63.22 3mtx s THR 153 Cb -0.17 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 3mtx s THR 153 CO 0.11 0.17 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.31 3mtx s VAL 154 N 1.55 1.76 -0.33 3.82 1.01 0.71 -0.96 120.40 127.96 3mtx s VAL 154 Ca 0.27 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3mtx s VAL 154 Cb -0.16 -1.51 0.10 0.00 0.00 0.00 0.00 36.38 34.82 3mtx s VAL 154 CO 0.11 0.50 0.10 -0.54 0.00 0.00 0.00 175.10 175.26 3mtx s LYS 155 N 0.01 0.99 -0.35 2.72 1.02 0.20 -1.41 119.74 122.92 3mtx s LYS 155 Ca -0.06 -1.40 0.01 0.00 0.02 0.00 0.00 55.97 54.53 3mtx s LYS 155 Cb -0.13 -2.37 0.09 0.00 -0.52 0.00 0.00 37.83 34.90 3mtx s LYS 155 CO 0.04 -0.99 0.08 1.21 -0.92 0.00 0.00 175.35 174.77 3mtx s ASN 156 N 1.28 4.93 -0.11 2.83 2.47 -0.68 -0.67 114.94 124.99 3mtx s ASN 156 Ca 0.11 -1.91 0.14 0.00 0.42 0.00 0.00 52.86 51.62 3mtx s ASN 156 Cb -0.19 -1.71 0.32 0.00 -1.45 0.00 0.00 41.25 38.23 3mtx s ASN 156 CO -0.18 -0.40 1.23 -1.22 -3.72 0.00 0.00 177.10 172.80 3mtx n TYR 157 N 4.45 0.36 0.00 0.43 4.01 0.76 -1.87 117.16 125.30 3mtx n TYR 157 Ca -0.03 -0.81 0.00 0.00 -0.16 0.00 0.00 57.90 56.91 3mtx n TYR 157 Cb 0.42 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 3mtx n TYR 157 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68