#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rml h PRO 25 N 0.00 0.37 -5.79 1.97 0.13 -1.93 -3.43 132.00 123.32 1rml h PRO 25 Ca 0.00 -0.36 -0.58 0.00 -0.87 0.00 0.00 66.00 64.19 1rml h PRO 25 Cb 0.00 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 31.15 1rml h PRO 25 CO 0.00 1.03 -0.03 0.21 -0.23 0.00 0.00 178.00 178.98 1rml s LYS 26 N -3.34 4.33 -0.30 0.86 2.47 -1.26 -3.18 119.74 119.32 1rml s LYS 26 Ca -0.14 0.59 -0.16 0.00 -1.56 0.00 0.00 55.97 54.70 1rml s LYS 26 Cb 0.03 -3.47 0.18 0.00 -1.46 0.00 0.00 37.83 33.11 1rml s LYS 26 CO 0.80 0.04 1.12 -0.48 0.16 0.00 0.00 175.35 176.99 1rml s LEU 27 N 0.97 -0.30 0.47 5.43 0.05 -1.26 -4.34 118.68 119.70 1rml s LEU 27 Ca 0.29 0.46 -0.11 0.00 0.05 0.00 0.00 54.13 54.82 1rml s LEU 27 Cb -0.16 1.41 -0.06 0.00 -2.05 0.00 0.00 46.19 45.33 1rml s LEU 27 CO 0.12 -0.07 0.85 -0.22 -0.55 0.00 0.00 176.35 176.49 1rml s LEU 28 N 1.53 3.68 -0.22 1.48 0.20 -1.26 -3.04 118.68 121.05 1rml s LEU 28 Ca -0.06 1.24 -0.17 0.00 0.69 0.00 0.00 54.13 55.82 1rml s LEU 28 Cb -0.03 -4.16 0.06 0.00 -0.43 0.00 0.00 46.19 41.62 1rml s LEU 28 CO -0.14 -0.53 0.56 -0.47 -0.29 0.00 0.00 176.35 175.48 1rml s TYR 29 N -2.59 -0.68 0.79 5.38 5.04 -1.06 -4.37 117.35 119.86 1rml s TYR 29 Ca 0.53 1.57 -0.12 0.00 -2.44 0.00 0.00 57.07 56.61 1rml s TYR 29 Cb -0.10 0.28 0.07 0.00 0.35 0.00 0.00 41.96 42.56 1rml s TYR 29 CO 0.36 -0.34 1.11 0.00 -1.34 0.00 0.00 175.55 175.34 1rml n SER 31 N -3.38 0.00 -4.65 0.00 3.41 0.26 -3.22 113.62 106.04 1rml n SER 31 Ca 0.07 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 58.19 1rml n SER 31 Cb 0.57 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 1rml n SER 31 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rml n ASN 32 N 0.00 3.13 -2.63 4.04 5.15 -1.26 -1.71 115.26 121.98 1rml n ASN 32 Ca 0.00 0.85 -0.14 0.00 -0.60 0.00 0.00 54.58 54.69 1rml n ASN 32 Cb 0.00 -1.34 -0.03 0.00 -0.53 0.00 0.00 39.78 37.88 1rml n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rml n GLY 33 N 4.80 -0.30 3.38 8.20 0.00 -1.26 -4.77 105.19 115.24 1rml n GLY 33 Ca 0.26 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 1rml n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rml n GLY 34 N -0.59 -2.24 0.00 -0.02 0.00 -0.69 -4.90 105.19 96.75 1rml n GLY 34 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1rml n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rml n HIS 35 N -3.53 0.00 -3.40 1.61 8.25 -1.26 -4.52 115.22 112.36 1rml n HIS 35 Ca 0.06 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.25 1rml n HIS 35 Cb 0.54 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.55 1rml n HIS 35 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1rml s PHE 36 N 1.95 0.76 0.54 4.41 0.08 0.30 -2.97 117.98 123.04 1rml s PHE 36 Ca 0.00 -1.88 -0.14 0.00 0.12 0.00 0.00 56.93 55.03 1rml s PHE 36 Cb 0.00 -0.84 -0.12 0.00 -0.57 0.00 0.00 43.02 41.49 1rml s PHE 36 CO 0.00 -0.85 -0.30 1.28 -0.10 0.00 0.00 175.22 175.25 1rml n LEU 37 N 3.45 -3.58 -3.97 -0.37 4.77 -1.26 -3.00 117.00 113.04 1rml n LEU 37 Ca 0.21 0.38 -0.08 0.00 -0.03 0.00 0.00 56.01 56.49 1rml n LEU 37 Cb 0.43 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1rml n LEU 37 CO 0.10 -4.14 -0.23 0.00 -1.33 0.00 0.00 177.39 171.79 1rml s ARG 38 N -1.08 0.67 -0.26 3.23 1.70 -0.41 -4.62 118.95 118.18 1rml s ARG 38 Ca 0.40 -0.99 0.01 0.00 -0.47 0.00 0.00 55.73 54.68 1rml s ARG 38 Cb -0.30 0.26 0.07 0.00 -0.57 0.00 0.00 34.95 34.41 1rml s ARG 38 CO 0.57 -0.17 -0.02 -1.50 -1.08 0.00 0.00 175.30 173.10 1rml s ILE 39 N -3.48 1.62 0.14 4.99 -1.16 -1.07 -3.73 121.20 118.52 1rml s ILE 39 Ca 0.02 -1.47 -0.20 0.00 -0.51 0.00 0.00 60.65 58.50 1rml s ILE 39 Cb 0.04 -1.97 -0.07 0.00 0.61 0.00 0.00 42.46 41.07 1rml s ILE 39 CO -0.09 -0.25 0.65 -0.76 -2.81 0.00 0.00 174.94 171.68 1rml s LEU 40 N 1.32 4.46 0.00 8.50 1.43 -1.13 -4.68 118.68 128.58 1rml s LEU 40 Ca -0.01 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 1rml s LEU 40 Cb -0.19 -3.22 0.17 0.00 0.03 0.00 0.00 46.19 42.98 1rml s LEU 40 CO -0.09 0.17 0.87 -0.81 0.23 0.00 0.00 176.35 176.72 1rml n PRO 41 N 1.29 0.75 -0.05 1.29 -0.04 -1.26 -2.38 135.00 134.59 1rml n PRO 41 Ca -0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 1rml n PRO 41 Cb 0.51 -1.06 -0.15 0.00 -0.04 0.00 0.00 33.50 32.76 1rml n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1rml n ASP 42 N -0.56 0.76 0.00 3.54 -0.08 -1.26 -4.98 116.55 113.97 1rml n ASP 42 Ca 0.02 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1rml n ASP 42 Cb 0.01 0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.68 1rml n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rml n GLY 43 N 1.71 1.84 3.21 0.27 0.00 -1.00 -5.12 105.19 106.09 1rml n GLY 43 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1rml n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rml s THR 44 N -2.00 1.95 0.36 2.61 2.01 -1.26 -4.79 115.64 114.52 1rml s THR 44 Ca 0.00 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.11 1rml s THR 44 Cb 0.00 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1rml s THR 44 CO 0.00 0.54 0.19 0.54 -0.69 0.00 0.00 174.62 175.20 1rml s VAL 45 N 0.25 2.95 -1.07 3.82 0.11 -1.26 -2.83 120.40 122.37 1rml s VAL 45 Ca -0.15 -1.62 0.00 0.00 -2.93 0.00 0.00 61.98 57.29 1rml s VAL 45 Cb -0.17 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1rml s VAL 45 CO 0.07 -0.14 0.00 -0.90 -3.33 0.00 0.00 175.10 170.80 1rml n ASP 46 N -1.23 0.00 -4.01 3.54 5.68 -1.24 -4.83 116.55 114.45 1rml n ASP 46 Ca -0.02 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 54.08 1rml n ASP 46 Cb 0.62 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.45 1rml n ASP 46 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1rml s GLY 47 N 0.00 0.47 -0.17 6.12 0.00 -1.26 -1.29 107.32 111.19 1rml s GLY 47 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1rml s GLY 47 CO 0.00 -0.21 -0.14 -1.59 0.00 0.00 0.00 173.10 171.16 1rml s THR 48 N -0.03 2.73 0.33 0.90 2.01 -1.16 -4.30 115.64 116.12 1rml s THR 48 Ca 0.01 -0.73 0.12 0.00 0.31 0.00 0.00 61.69 61.39 1rml s THR 48 Cb -0.06 -2.17 0.32 0.00 0.01 0.00 0.00 72.50 70.60 1rml s THR 48 CO -0.00 0.50 1.68 -0.09 -0.69 0.00 0.00 174.62 176.02 1rml h ARG 49 N 7.57 0.39 -4.20 4.92 1.12 -1.90 0.85 114.38 123.13 1rml h ARG 49 Ca -0.37 -0.02 -0.57 0.00 -1.11 0.00 0.00 59.98 57.91 1rml h ARG 49 Cb 1.18 -0.09 -0.38 0.00 -0.01 0.00 0.00 29.97 30.67 1rml h ARG 49 CO 0.59 0.26 -0.79 -0.51 -3.11 0.00 0.00 179.97 176.41 1rml s ASP 50 N -5.02 3.16 -0.15 -3.80 1.01 -1.26 -4.51 116.67 106.09 1rml s ASP 50 Ca -0.10 -0.83 -0.37 0.00 0.71 0.00 0.00 52.55 51.95 1rml s ASP 50 Cb 0.29 -0.98 -0.14 0.00 1.01 0.00 0.00 42.92 43.09 1rml s ASP 50 CO 0.79 -0.20 1.76 -2.11 0.21 0.00 0.00 175.17 175.61 1rml n ARG 51 N 4.82 1.61 0.00 8.23 0.00 -1.25 -4.82 116.66 125.25 1rml n ARG 51 Ca -0.12 0.59 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 1rml n ARG 51 Cb 0.47 -2.34 0.00 0.00 -0.00 0.00 0.00 32.46 30.59 1rml n ARG 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1rml n SER 52 N 5.53 0.00 -2.54 2.89 2.88 -1.26 -5.13 113.62 115.99 1rml n SER 52 Ca 0.24 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 1rml n SER 52 Cb 0.21 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 1rml n SER 52 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1rml n ASP 53 N 0.00 -0.54 -0.36 -3.46 2.03 -1.26 -5.03 116.55 107.94 1rml n ASP 53 Ca 0.00 -2.51 0.10 0.00 0.52 0.00 0.00 54.79 52.90 1rml n ASP 53 Cb 0.00 1.22 0.28 0.00 -0.72 0.00 0.00 41.12 41.90 1rml n ASP 53 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1rml h GLN 54 N 0.00 0.84 -0.33 -0.67 -0.00 -2.02 -3.41 115.11 109.52 1rml h GLN 54 Ca -0.17 -0.05 0.22 0.00 -0.00 0.00 0.00 58.65 58.66 1rml h GLN 54 Cb 0.83 -0.19 -0.20 0.00 -0.00 0.00 0.00 27.48 27.92 1rml h GLN 54 CO 0.24 0.56 0.06 -1.01 -0.00 0.00 0.00 178.83 178.68 1rml s HIS 55 N -5.90 -0.56 -0.44 0.06 3.76 -1.26 -5.01 115.29 105.93 1rml s HIS 55 Ca -0.12 0.48 0.15 0.00 -0.15 0.00 0.00 55.06 55.42 1rml s HIS 55 Cb 0.24 0.15 0.46 0.00 1.11 0.00 0.00 32.58 34.54 1rml s HIS 55 CO 0.80 -0.32 1.37 0.44 -0.85 0.00 0.00 174.74 176.19 1rml n ILE 56 N 5.34 1.86 -2.08 0.60 -0.00 -1.26 -2.61 119.36 121.21 1rml n ILE 56 Ca -0.01 -1.57 -0.42 0.00 -0.00 0.00 0.00 62.75 60.76 1rml n ILE 56 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.17 1rml n ILE 56 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 1rml s GLN 57 N -2.20 4.27 0.43 6.28 0.74 -1.26 -4.46 119.66 123.45 1rml s GLN 57 Ca 0.36 2.18 0.05 0.00 0.05 0.00 0.00 55.36 58.00 1rml s GLN 57 Cb 0.27 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.99 1rml s GLN 57 CO 0.11 -0.55 0.02 -0.51 -0.55 0.00 0.00 175.29 173.81 1rml s LEU 58 N 1.55 2.62 -0.29 3.68 1.02 -1.26 -4.00 118.68 122.01 1rml s LEU 58 Ca 0.67 -1.45 -0.24 0.00 0.02 0.00 0.00 54.13 53.13 1rml s LEU 58 Cb -0.38 -0.77 0.14 0.00 0.02 0.00 0.00 46.19 45.19 1rml s LEU 58 CO 0.30 -0.59 1.10 -1.58 0.02 0.00 0.00 176.35 175.60 1rml s GLN 59 N -3.77 0.42 0.26 1.70 2.00 -0.29 -4.56 119.66 115.42 1rml s GLN 59 Ca 0.27 0.51 0.06 0.00 -2.00 0.00 0.00 55.36 54.20 1rml s GLN 59 Cb 0.07 0.20 -0.03 0.00 0.80 0.00 0.00 33.01 34.06 1rml s GLN 59 CO 0.14 -0.05 0.35 -0.51 -0.50 0.00 0.00 175.29 174.72 1rml s LEU 60 N 0.26 4.14 -0.36 3.68 1.43 -1.26 0.18 118.68 126.76 1rml s LEU 60 Ca 0.03 -0.06 0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1rml s LEU 60 Cb -0.05 -2.73 0.41 0.00 0.03 0.00 0.00 46.19 43.85 1rml s LEU 60 CO -0.08 -0.15 1.00 -0.24 0.23 0.00 0.00 176.35 177.11 1rml n SER 61 N -1.42 0.31 -4.60 2.29 2.88 0.46 -4.79 113.62 108.75 1rml n SER 61 Ca -0.07 -2.81 -0.59 0.00 -1.33 0.00 0.00 58.87 54.07 1rml n SER 61 Cb 0.57 -0.03 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 1rml n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rml n ALA 62 N -0.06 -2.24 0.20 -1.46 0.00 -1.26 -2.63 120.51 113.06 1rml n ALA 62 Ca 0.10 0.54 0.02 0.00 0.00 0.00 0.00 53.44 54.10 1rml n ALA 62 Cb 0.78 -1.91 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1rml n ALA 62 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rml n GLU 63 N 2.66 1.36 0.00 0.00 0.28 -1.12 -4.83 120.64 118.99 1rml n GLU 63 Ca 0.23 -0.56 0.00 0.00 -0.16 0.00 0.00 57.16 56.66 1rml n GLU 63 Cb 0.08 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 31.97 1rml n GLU 63 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1rml n SER 64 N -0.12 0.00 -4.16 -1.84 7.64 -0.57 -5.02 113.62 109.55 1rml n SER 64 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 1rml n SER 64 Cb 0.11 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.29 1rml n SER 64 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1rml n VAL 65 N -0.00 1.35 -0.92 0.44 0.24 -1.26 0.63 118.33 118.81 1rml n VAL 65 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1rml n VAL 65 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1rml n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rml n GLY 66 N 2.05 0.56 3.15 7.63 0.00 -1.24 -4.90 105.19 112.45 1rml n GLY 66 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1rml n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rml s GLU 67 N -0.41 0.42 0.29 1.61 2.12 0.21 -3.87 118.70 119.07 1rml s GLU 67 Ca 0.00 0.54 0.04 0.00 0.36 0.00 0.00 54.97 55.91 1rml s GLU 67 Cb 0.00 0.28 -0.06 0.00 0.26 0.00 0.00 34.13 34.61 1rml s GLU 67 CO 0.00 -0.65 0.02 0.14 -0.54 0.00 0.00 175.26 174.23 1rml s VAL 68 N 2.88 1.23 0.36 3.70 -7.23 0.03 -1.51 120.40 119.86 1rml s VAL 68 Ca 0.15 -2.03 0.09 0.00 -1.81 0.00 0.00 61.98 58.37 1rml s VAL 68 Cb -0.10 -2.63 -0.06 0.00 0.56 0.00 0.00 36.38 34.16 1rml s VAL 68 CO -0.22 -0.13 -0.00 -0.31 -0.31 0.00 0.00 175.10 174.13 1rml s TYR 69 N -3.28 2.51 -0.09 2.82 2.02 -1.08 0.20 117.35 120.45 1rml s TYR 69 Ca 0.33 -0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 56.49 1rml s TYR 69 Cb 0.07 -1.55 0.04 0.00 -0.40 0.00 0.00 41.96 40.13 1rml s TYR 69 CO 0.13 0.47 0.21 0.42 -1.57 0.00 0.00 175.55 175.22 1rml s ILE 70 N -2.58 -0.04 -0.04 2.71 1.01 -1.26 0.17 121.20 121.17 1rml s ILE 70 Ca 0.35 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1rml s ILE 70 Cb 0.02 -0.34 0.02 0.00 0.01 0.00 0.00 42.46 42.18 1rml s ILE 70 CO 0.19 0.06 -0.02 -0.75 0.00 0.00 0.00 174.94 174.42 1rml s LYS 71 N 1.24 0.60 -1.42 2.79 2.20 0.48 -1.00 119.74 124.63 1rml s LYS 71 Ca -0.09 -0.00 -0.13 0.00 -0.36 0.00 0.00 55.97 55.38 1rml s LYS 71 Cb -0.11 -0.73 0.07 0.00 -1.51 0.00 0.00 37.83 35.55 1rml s LYS 71 CO -0.08 -0.14 2.15 0.45 -0.36 0.00 0.00 175.35 177.37 1rml n SER 72 N 4.27 4.15 -4.17 1.43 2.88 0.28 -1.13 113.62 121.33 1rml n SER 72 Ca -0.22 -2.90 -0.36 0.00 -1.33 0.00 0.00 58.87 54.06 1rml n SER 72 Cb 0.51 -1.62 -0.15 0.00 -0.75 0.00 0.00 64.21 62.20 1rml n SER 72 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1rml n THR 73 N 4.71 0.00 0.00 2.46 5.66 -1.26 -3.15 114.28 122.71 1rml n THR 73 Ca 0.49 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 1rml n THR 73 Cb 0.38 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1rml n THR 73 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1rml n GLU 74 N 7.50 0.00 -2.69 1.09 4.07 -1.26 -4.79 120.64 124.56 1rml n GLU 74 Ca 0.61 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.64 1rml n GLU 74 Cb 0.04 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.46 1rml n GLU 74 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1rml n THR 75 N 0.00 1.23 -4.05 6.31 5.66 -1.19 -4.98 114.28 117.26 1rml n THR 75 Ca 0.00 -3.16 -0.28 0.00 -3.05 0.00 0.00 64.05 57.56 1rml n THR 75 Cb 0.00 0.71 -0.08 0.00 -1.55 0.00 0.00 70.33 69.41 1rml n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rml n GLY 76 N -0.30 -0.14 3.31 1.09 0.00 -1.26 -4.88 105.19 103.02 1rml n GLY 76 Ca 0.11 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1rml n GLY 76 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rml s GLN 77 N -6.68 2.98 0.30 1.61 0.74 -1.26 -4.92 119.66 112.43 1rml s GLN 77 Ca 0.10 -0.93 -0.05 0.00 0.05 0.00 0.00 55.36 54.53 1rml s GLN 77 Cb -0.06 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 1rml s GLN 77 CO 0.85 -0.47 0.58 0.71 -0.55 0.00 0.00 175.29 176.41 1rml s TYR 78 N 1.46 3.48 0.01 1.67 1.51 -1.26 0.10 117.35 124.32 1rml s TYR 78 Ca 0.01 0.67 -0.06 0.00 -1.01 0.00 0.00 57.07 56.68 1rml s TYR 78 Cb -0.17 -2.13 -0.05 0.00 -0.11 0.00 0.00 41.96 39.50 1rml s TYR 78 CO 0.01 0.14 0.26 -1.17 -1.11 0.00 0.00 175.55 173.69 1rml s LEU 79 N -3.62 4.37 0.00 -1.29 2.96 -0.17 -3.31 118.68 117.61 1rml s LEU 79 Ca 0.44 0.53 -0.17 0.00 -0.22 0.00 0.00 54.13 54.72 1rml s LEU 79 Cb -0.11 -2.69 0.06 0.00 0.50 0.00 0.00 46.19 43.96 1rml s LEU 79 CO 0.30 0.25 0.85 0.00 -1.32 0.00 0.00 176.35 176.43 1rml n ALA 80 N 1.06 -2.14 -3.61 5.97 0.00 0.53 -4.42 120.51 117.90 1rml n ALA 80 Ca -0.11 -0.95 -0.19 0.00 0.00 0.00 0.00 53.44 52.19 1rml n ALA 80 Cb 0.53 0.60 -0.15 0.00 0.00 0.00 0.00 19.45 20.43 1rml n ALA 80 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1rml s MET 81 N -2.05 0.08 0.97 0.00 1.75 -1.26 0.56 119.30 119.35 1rml s MET 81 Ca 0.18 0.32 -0.13 0.00 -1.25 0.00 0.00 55.69 54.81 1rml s MET 81 Cb -0.03 -0.87 0.17 0.00 2.84 0.00 0.00 34.83 36.95 1rml s MET 81 CO 0.06 -0.48 1.13 -0.51 -0.65 0.00 0.00 175.02 174.57 1rml s ASP 82 N 2.27 2.97 0.54 1.11 1.01 -1.23 -4.76 116.67 118.57 1rml s ASP 82 Ca 0.04 0.97 0.28 0.00 0.71 0.00 0.00 52.55 54.55 1rml s ASP 82 Cb -0.14 -1.52 1.55 0.00 1.01 0.00 0.00 42.92 43.82 1rml s ASP 82 CO -0.08 -2.89 1.85 0.74 0.21 0.00 0.00 175.17 175.00 1rml h THR 83 N -1.73 0.00 -0.14 -1.27 2.02 -1.94 1.12 112.91 110.96 1rml h THR 83 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1rml h THR 83 Cb 1.33 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1rml h THR 83 CO 0.57 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.93 1rml n ASP 84 N -2.65 0.92 -1.15 4.18 9.92 -1.26 -4.85 116.55 121.65 1rml n ASP 84 Ca -0.02 -1.82 -0.13 0.00 -0.53 0.00 0.00 54.79 52.29 1rml n ASP 84 Cb 0.24 -0.09 -0.05 0.00 -0.64 0.00 0.00 41.12 40.57 1rml n ASP 84 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rml n GLY 85 N 0.86 1.20 3.43 0.44 0.00 0.39 -3.26 105.19 108.24 1rml n GLY 85 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 1rml n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rml s LEU 86 N -3.24 5.20 0.08 0.99 0.20 -1.25 -1.93 118.68 118.73 1rml s LEU 86 Ca 0.00 -1.05 -0.32 0.00 0.69 0.00 0.00 54.13 53.44 1rml s LEU 86 Cb 0.00 -2.35 -0.17 0.00 -0.43 0.00 0.00 46.19 43.24 1rml s LEU 86 CO 0.00 -0.79 0.78 0.18 -0.29 0.00 0.00 176.35 176.22 1rml n LEU 87 N 5.80 -0.50 -3.61 -0.68 4.32 -1.26 -3.54 117.00 117.52 1rml n LEU 87 Ca -0.09 1.07 -0.09 0.00 -0.02 0.00 0.00 56.01 56.88 1rml n LEU 87 Cb 0.45 -0.87 -0.02 0.00 -1.62 0.00 0.00 43.42 41.36 1rml n LEU 87 CO 0.51 -2.21 0.50 -0.72 -1.22 0.00 0.00 177.39 174.25 1rml s TYR 88 N -0.40 -0.35 0.33 -1.77 1.13 0.19 -4.40 117.35 112.08 1rml s TYR 88 Ca 0.74 0.06 0.09 0.00 -1.41 0.00 0.00 57.07 56.55 1rml s TYR 88 Cb -1.05 0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 40.37 1rml s TYR 88 CO 0.53 -0.93 -0.02 0.20 -2.51 0.00 0.00 175.55 172.81 1rml s GLY 89 N -2.79 2.03 0.02 5.49 0.00 -1.21 0.20 107.32 111.06 1rml s GLY 89 Ca 0.06 -1.94 -0.25 0.00 0.00 0.00 0.00 44.72 42.58 1rml s GLY 89 CO -0.04 -1.91 0.58 -0.45 0.00 0.00 0.00 173.10 171.29 1rml s SER 90 N -3.68 -0.53 0.00 1.64 0.15 -1.25 -4.95 113.70 105.08 1rml s SER 90 Ca 0.34 0.36 0.21 0.00 0.70 0.00 0.00 55.95 57.56 1rml s SER 90 Cb -0.01 0.52 1.27 0.00 -1.71 0.00 0.00 66.02 66.09 1rml s SER 90 CO 0.19 -0.70 1.77 1.67 1.20 0.00 0.00 173.24 177.37 1rml n GLN 91 N 0.53 0.93 -3.83 5.44 7.27 -1.26 -4.37 117.38 122.09 1rml n GLN 91 Ca -0.19 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.55 1rml n GLN 91 Cb 0.59 -1.36 -0.12 0.00 2.41 0.00 0.00 30.24 31.77 1rml n GLN 91 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1rml s THR 92 N -2.00 3.16 -0.42 1.69 -4.23 -1.26 -5.06 115.64 107.52 1rml s THR 92 Ca 0.32 -3.11 -0.29 0.00 -1.18 0.00 0.00 61.69 57.44 1rml s THR 92 Cb 0.15 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1rml s THR 92 CO 0.25 -0.83 1.42 -2.16 -0.54 0.00 0.00 174.62 172.75 1rml s PRO 93 N -0.14 3.55 0.10 3.99 0.04 -1.26 -4.61 135.00 136.67 1rml s PRO 93 Ca 0.17 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 1rml s PRO 93 Cb -0.23 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1rml s PRO 93 CO -0.02 -1.60 0.14 0.09 0.04 0.00 0.00 177.00 175.65 1rml n ASN 94 N 8.90 -0.40 -0.59 6.66 3.02 -1.26 -4.93 115.26 126.65 1rml n ASN 94 Ca 0.16 -1.56 0.45 0.00 -0.03 0.00 0.00 54.58 53.60 1rml n ASN 94 Cb 0.48 0.75 0.71 0.00 -0.61 0.00 0.00 39.78 41.11 1rml n ASN 94 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rml n GLU 95 N -0.17 -0.01 0.31 3.52 4.71 -1.26 0.11 120.64 127.84 1rml n GLU 95 Ca 0.00 1.00 -0.14 0.00 -0.01 0.00 0.00 57.16 58.02 1rml n GLU 95 Cb 0.17 -2.23 -0.07 0.00 -1.01 0.00 0.00 31.44 28.30 1rml n GLU 95 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1rml h GLU 96 N 0.00 -0.79 0.00 3.49 4.81 -1.90 -2.90 114.58 117.29 1rml h GLU 96 Ca 0.83 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 60.12 1rml h GLU 96 Cb 3.22 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 32.78 1rml h GLU 96 CO -0.09 -0.49 -0.01 0.00 -0.73 0.00 0.00 179.01 177.69 1rml n LEU 98 N -3.95 -1.25 -3.45 0.00 4.77 0.10 -4.28 117.00 108.95 1rml n LEU 98 Ca -0.03 -0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 55.38 1rml n LEU 98 Cb 0.09 -1.14 -0.07 0.00 -2.33 0.00 0.00 43.42 39.96 1rml n LEU 98 CO 0.29 -3.94 0.03 -0.36 -1.33 0.00 0.00 177.39 172.08 1rml s PHE 99 N -2.27 -0.98 -0.52 -1.77 0.08 0.53 -4.24 117.98 108.81 1rml s PHE 99 Ca 0.68 1.33 -0.27 0.00 0.12 0.00 0.00 56.93 58.79 1rml s PHE 99 Cb -0.20 0.27 -0.09 0.00 -0.57 0.00 0.00 43.02 42.43 1rml s PHE 99 CO 0.62 -0.66 2.43 1.28 -0.10 0.00 0.00 175.22 178.79 1rml n LEU 100 N 5.39 2.15 -4.86 -0.37 4.77 -0.46 -0.79 117.00 122.82 1rml n LEU 100 Ca -0.06 -0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.29 1rml n LEU 100 Cb 0.50 -1.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.14 1rml n LEU 100 CO 0.03 -1.36 0.73 -0.70 -1.33 0.00 0.00 177.39 174.75 1rml s GLU 101 N 8.12 2.99 0.00 3.23 2.12 -1.25 -1.46 118.70 132.44 1rml s GLU 101 Ca 1.03 0.62 0.00 0.00 0.36 0.00 0.00 54.97 56.99 1rml s GLU 101 Cb -0.35 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.02 1rml s GLU 101 CO 0.31 -0.98 0.00 2.89 -0.54 0.00 0.00 175.26 176.94 1rml n ARG 102 N -3.00 0.00 -1.18 4.30 1.85 -1.25 -3.61 116.66 113.77 1rml n ARG 102 Ca 0.07 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.68 1rml n ARG 102 Cb 0.56 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.81 1rml n ARG 102 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1rml n LEU 103 N 0.00 -0.55 -0.28 2.89 0.00 -1.26 -4.08 117.00 113.72 1rml n LEU 103 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 56.01 55.88 1rml n LEU 103 Cb 0.00 -0.55 0.19 0.00 0.00 0.00 0.00 43.42 43.06 1rml n LEU 103 CO 0.00 -0.88 1.08 -0.08 0.00 0.00 0.00 177.39 177.50 1rml h GLU 104 N 9.01 0.57 0.00 1.96 4.22 -1.72 -3.43 114.58 125.19 1rml h GLU 104 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 1rml h GLU 104 Cb 0.95 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1rml h GLU 104 CO 1.20 0.38 0.00 -1.91 -2.18 0.00 0.00 179.01 176.50 1rml n GLU 105 N -4.89 0.00 -0.83 1.92 4.07 -1.25 -5.03 120.64 114.62 1rml n GLU 105 Ca 0.15 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.27 1rml n GLU 105 Cb 0.39 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.80 1rml n GLU 105 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1rml n ASN 106 N 0.00 0.61 0.05 4.31 5.15 -1.26 -4.94 115.26 119.19 1rml n ASN 106 Ca 0.00 -2.17 0.00 0.00 -0.60 0.00 0.00 54.58 51.81 1rml n ASN 106 Cb 0.00 -0.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 1rml n ASN 106 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1rml n HIS 107 N 0.02 -2.51 -1.61 1.20 8.25 -1.26 -5.12 115.22 114.20 1rml n HIS 107 Ca 0.04 0.37 -0.50 0.00 -0.26 0.00 0.00 57.72 57.37 1rml n HIS 107 Cb 0.86 1.20 -0.05 0.00 1.12 0.00 0.00 29.99 33.12 1rml n HIS 107 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1rml n TYR 108 N -2.56 1.65 -3.59 4.41 4.01 -1.26 -4.90 117.16 114.92 1rml n TYR 108 Ca 0.00 0.57 -0.37 0.00 -0.16 0.00 0.00 57.90 57.93 1rml n TYR 108 Cb 0.00 -2.37 -0.05 0.00 -0.31 0.00 0.00 39.34 36.61 1rml n TYR 108 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1rml s ASN 109 N 0.46 6.20 -0.74 7.72 0.02 -1.22 -2.04 114.94 125.34 1rml s ASN 109 Ca 0.80 -3.73 -0.26 0.00 -1.02 0.00 0.00 52.86 48.65 1rml s ASN 109 Cb -0.87 -1.95 -0.01 0.00 0.02 0.00 0.00 41.25 38.44 1rml s ASN 109 CO 0.46 -0.19 1.72 0.42 0.02 0.00 0.00 177.10 179.53 1rml s THR 110 N -1.38 3.50 1.00 1.60 -4.23 -1.25 -4.64 115.64 110.24 1rml s THR 110 Ca 0.28 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.65 1rml s THR 110 Cb -0.07 -4.26 0.23 0.00 1.34 0.00 0.00 72.50 69.73 1rml s THR 110 CO -0.12 -1.21 1.34 -0.31 -0.54 0.00 0.00 174.62 173.78 1rml s TYR 111 N 8.22 1.28 -0.24 3.99 1.51 -1.26 -3.93 117.35 126.92 1rml s TYR 111 Ca 0.59 0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 56.69 1rml s TYR 111 Cb -0.09 -4.22 0.06 0.00 -0.11 0.00 0.00 41.96 37.60 1rml s TYR 111 CO 0.12 -2.88 0.62 0.42 -1.11 0.00 0.00 175.55 172.72 1rml s ILE 112 N -3.92 -0.00 -0.64 2.71 1.01 -0.54 -3.41 121.20 116.41 1rml s ILE 112 Ca 0.76 0.01 -0.36 0.00 0.00 0.00 0.00 60.65 61.07 1rml s ILE 112 Cb -0.03 -0.87 -0.19 0.00 0.01 0.00 0.00 42.46 41.39 1rml s ILE 112 CO 0.54 0.00 2.17 -0.24 0.00 0.00 0.00 174.94 177.41 1rml n SER 113 N 3.22 0.52 0.16 3.58 2.88 0.51 -1.36 113.62 123.13 1rml n SER 113 Ca -0.16 0.44 0.13 0.00 -1.33 0.00 0.00 58.87 57.95 1rml n SER 113 Cb 0.56 -0.83 0.47 0.00 -0.75 0.00 0.00 64.21 63.66 1rml n SER 113 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1rml h LYS 114 N 9.35 0.00 -0.00 -1.46 3.11 -1.78 1.06 116.57 126.85 1rml h LYS 114 Ca -0.07 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1rml h LYS 114 Cb 1.26 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 1rml h LYS 114 CO 1.11 0.00 -0.01 1.17 -2.81 0.00 0.00 179.45 178.91 1rml n LYS 115 N -2.51 0.10 0.00 1.90 4.81 -1.25 -4.39 118.16 116.82 1rml n LYS 115 Ca 0.03 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1rml n LYS 115 Cb 0.34 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1rml n LYS 115 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1rml n HIS 116 N -1.45 0.00 0.79 5.64 1.44 -0.78 -4.99 115.22 115.88 1rml n HIS 116 Ca 0.09 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 1rml n HIS 116 Cb 0.32 0.00 0.50 0.00 0.12 0.00 0.00 29.99 30.93 1rml n HIS 116 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rml n ALA 117 N 0.00 2.08 0.18 1.59 0.00 0.36 -2.96 120.51 121.77 1rml n ALA 117 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1rml n ALA 117 Cb 0.00 -1.39 0.65 0.00 0.00 0.00 0.00 19.45 18.71 1rml n ALA 117 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1rml h GLU 118 N 0.00 0.00 -0.02 0.00 4.81 -1.94 0.90 114.58 118.32 1rml h GLU 118 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rml h GLU 118 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1rml h GLU 118 CO 0.00 0.00 -0.30 1.63 -0.73 0.00 0.00 179.01 179.61 1rml n LYS 119 N -2.34 1.58 -1.32 1.92 5.02 -1.16 -4.94 118.16 116.93 1rml n LYS 119 Ca -0.02 -1.24 -0.11 0.00 -2.02 0.00 0.00 58.31 54.93 1rml n LYS 119 Cb 0.06 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1rml n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rml n ASN 120 N 0.38 -4.39 -4.58 4.39 5.03 0.31 -4.89 115.26 111.51 1rml n ASN 120 Ca 0.10 0.27 -0.42 0.00 0.87 0.00 0.00 54.58 55.40 1rml n ASN 120 Cb 0.47 -2.86 -0.03 0.00 -1.02 0.00 0.00 39.78 36.34 1rml n ASN 120 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1rml n TRP 121 N -2.66 1.83 -2.43 3.10 8.01 -1.26 -4.41 117.44 119.63 1rml n TRP 121 Ca -0.11 -0.06 -0.25 0.00 -1.31 0.00 0.00 57.50 55.77 1rml n TRP 121 Cb 0.37 -2.70 0.14 0.00 -2.01 0.00 0.00 31.31 27.11 1rml n TRP 121 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 1rml s PHE 122 N 8.99 1.41 -0.78 -5.99 0.40 -1.04 0.19 117.98 121.16 1rml s PHE 122 Ca 1.01 -0.18 0.09 0.00 -0.60 0.00 0.00 56.93 57.26 1rml s PHE 122 Cb -0.35 -3.31 0.25 0.00 0.51 0.00 0.00 43.02 40.12 1rml s PHE 122 CO 0.35 -2.05 1.20 1.55 0.70 0.00 0.00 175.22 176.96 1rml n VAL 123 N -3.12 0.96 -2.79 -0.44 3.14 -1.22 -4.59 118.33 110.27 1rml n VAL 123 Ca 0.16 -0.98 -0.43 0.00 -2.96 0.00 0.00 64.34 60.13 1rml n VAL 123 Cb 0.60 0.52 -0.04 0.00 -1.06 0.00 0.00 33.84 33.87 1rml n VAL 123 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1rml s GLY 124 N -0.99 1.31 0.06 7.55 0.00 -1.24 -4.89 107.32 109.12 1rml s GLY 124 Ca 0.19 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 1rml s GLY 124 CO 0.13 2.16 1.94 1.04 0.00 0.00 0.00 173.10 178.37 1rml n LEU 125 N 7.86 4.13 -0.87 0.66 4.32 -1.21 -4.51 117.00 127.38 1rml n LEU 125 Ca 0.00 0.93 -0.12 0.00 -0.02 0.00 0.00 56.01 56.79 1rml n LEU 125 Cb 0.47 -1.53 -0.02 0.00 -1.62 0.00 0.00 43.42 40.72 1rml n LEU 125 CO 0.65 0.20 0.24 1.17 -1.22 0.00 0.00 177.39 178.43 1rml n LYS 126 N 7.00 0.00 -0.26 3.23 4.81 -1.24 -4.43 118.16 127.26 1rml n LYS 126 Ca 0.20 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.55 1rml n LYS 126 Cb 0.40 -0.28 -0.01 0.00 0.02 0.00 0.00 35.03 35.16 1rml n LYS 126 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1rml n LYS 127 N 0.92 0.67 0.00 1.64 -0.00 -1.26 -2.44 118.16 117.68 1rml n LYS 127 Ca 0.07 -0.83 0.00 0.00 -0.00 0.00 0.00 58.31 57.55 1rml n LYS 127 Cb -0.01 -2.17 0.00 0.00 -0.00 0.00 0.00 35.03 32.85 1rml n LYS 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1rml n ASN 128 N 4.91 0.00 0.00 -5.58 2.85 -1.26 -5.03 115.26 111.15 1rml n ASN 128 Ca 0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1rml n ASN 128 Cb 0.06 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.08 1rml n ASN 128 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rml n GLY 129 N 1.48 -0.01 0.00 8.20 0.00 -1.02 -4.99 105.19 108.85 1rml n GLY 129 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1rml n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rml n SER 130 N 0.00 0.00 -4.15 1.61 7.64 -1.26 -4.99 113.62 112.47 1rml n SER 130 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1rml n SER 130 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 1rml n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rml s LYS 132 N -2.65 0.68 1.03 0.00 3.01 -1.26 -4.73 119.74 115.83 1rml s LYS 132 Ca 0.46 -0.15 -0.12 0.00 -1.01 0.00 0.00 55.97 55.15 1rml s LYS 132 Cb -0.14 -0.69 0.19 0.00 -1.01 0.00 0.00 37.83 36.19 1rml s LYS 132 CO 0.74 0.01 0.96 2.89 0.51 0.00 0.00 175.35 180.46 1rml n ARG 133 N 3.58 -1.26 -0.38 1.68 1.85 -1.26 -4.78 116.66 116.09 1rml n ARG 133 Ca -0.21 -0.32 -0.06 0.00 -1.00 0.00 0.00 57.85 56.27 1rml n ARG 133 Cb 0.53 -2.21 -0.03 0.00 -1.05 0.00 0.00 32.46 29.70 1rml n ARG 133 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1rml h GLY 134 N -2.18 -0.36 -4.75 2.89 0.00 -1.37 -0.24 103.07 97.07 1rml h GLY 134 Ca -0.51 0.64 -0.32 0.00 0.00 0.00 0.00 47.33 47.15 1rml h GLY 134 CO 0.43 -0.09 1.48 -1.55 0.00 0.00 0.00 176.54 176.81 1rml n PRO 135 N -5.37 2.14 -1.04 4.80 -0.04 -1.26 -2.81 135.00 131.41 1rml n PRO 135 Ca 0.06 -1.26 -0.01 0.00 -0.04 0.00 0.00 63.50 62.25 1rml n PRO 135 Cb 0.34 -2.23 -0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1rml n PRO 135 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1rml n ARG 136 N 3.28 0.13 -3.42 0.54 0.00 -0.10 -5.09 116.66 112.00 1rml n ARG 136 Ca 0.46 -0.30 -0.20 0.00 -0.00 0.00 0.00 57.85 57.80 1rml n ARG 136 Cb 0.43 0.37 -0.10 0.00 0.00 0.00 0.00 32.46 33.16 1rml n ARG 136 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1rml s THR 137 N 0.01 -0.28 0.23 5.15 -4.23 -1.12 -4.68 115.64 110.73 1rml s THR 137 Ca 0.01 -0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1rml s THR 137 Cb 0.04 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.93 1rml s THR 137 CO -0.01 -0.59 0.25 -1.00 -0.54 0.00 0.00 174.62 172.73 1rml s HIS 138 N 1.95 0.99 0.00 3.99 3.76 -1.26 -2.51 115.29 122.21 1rml s HIS 138 Ca 0.12 -1.22 0.00 0.00 -0.15 0.00 0.00 55.06 53.81 1rml s HIS 138 Cb -0.16 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.19 1rml s HIS 138 CO -0.23 -0.78 0.00 0.98 -0.85 0.00 0.00 174.74 173.86 1rml n TYR 139 N -0.34 -1.11 -0.15 1.40 9.36 -1.26 -3.87 117.16 121.19 1rml n TYR 139 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1rml n TYR 139 Cb 0.64 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.35 1rml n TYR 139 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1rml n GLY 140 N 0.00 1.59 3.00 2.98 0.00 -1.26 -4.92 105.19 106.58 1rml n GLY 140 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1rml n GLY 140 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rml s GLN 141 N -0.07 2.10 0.00 1.61 1.11 -1.25 -4.97 119.66 118.18 1rml s GLN 141 Ca 0.00 -0.49 0.08 0.00 0.01 0.00 0.00 55.36 54.96 1rml s GLN 141 Cb 0.00 -1.92 0.43 0.00 -1.01 0.00 0.00 33.01 30.51 1rml s GLN 141 CO 0.00 -0.19 1.00 1.63 0.01 0.00 0.00 175.29 177.74 1rml n LYS 142 N 4.64 0.18 0.28 2.91 5.02 -1.26 -2.26 118.16 127.67 1rml n LYS 142 Ca -0.17 0.10 0.18 0.00 -2.02 0.00 0.00 58.31 56.41 1rml n LYS 142 Cb 0.50 -1.50 0.94 0.00 -0.02 0.00 0.00 35.03 34.96 1rml n LYS 142 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rml h ALA 143 N 2.43 1.46 0.00 7.82 0.00 -1.87 0.52 119.26 129.62 1rml h ALA 143 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1rml h ALA 143 Cb 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1rml h ALA 143 CO 0.00 -0.21 -1.40 -0.84 0.00 0.00 0.00 179.25 176.80 1rml h ILE 144 N 0.00 0.65 -1.26 0.00 3.07 -1.68 -3.21 117.51 115.07 1rml h ILE 144 Ca 0.04 -2.22 -0.43 0.00 1.55 0.00 0.00 64.86 63.80 1rml h ILE 144 Cb 0.37 2.18 -0.06 0.00 -0.27 0.00 0.00 36.82 39.04 1rml h ILE 144 CO -0.00 0.37 1.07 -0.76 -1.05 0.00 0.00 178.15 177.78 1rml s LEU 145 N -5.94 3.26 -0.27 0.16 1.02 0.18 -3.86 118.68 113.24 1rml s LEU 145 Ca -0.03 -0.57 -0.11 0.00 0.02 0.00 0.00 54.13 53.44 1rml s LEU 145 Cb 0.08 -2.55 -0.05 0.00 0.02 0.00 0.00 46.19 43.69 1rml s LEU 145 CO 0.81 -2.31 0.17 -0.36 0.02 0.00 0.00 176.35 174.68 1rml s PHE 146 N 8.35 3.24 -0.43 0.29 0.08 -1.26 -0.57 117.98 127.68 1rml s PHE 146 Ca 0.61 0.12 -0.09 0.00 0.12 0.00 0.00 56.93 57.69 1rml s PHE 146 Cb -0.07 -2.34 0.09 0.00 -0.57 0.00 0.00 43.02 40.13 1rml s PHE 146 CO 0.04 -0.11 0.27 -1.17 -0.10 0.00 0.00 175.22 174.15 1rml s LEU 147 N 1.55 5.24 0.18 -0.37 1.98 0.75 -3.42 118.68 124.59 1rml s LEU 147 Ca 0.07 -1.59 -0.30 0.00 -2.89 0.00 0.00 54.13 49.42 1rml s LEU 147 Cb -0.15 -1.98 -0.08 0.00 0.66 0.00 0.00 46.19 44.64 1rml s LEU 147 CO 0.09 -0.56 1.12 -2.16 -1.89 0.00 0.00 176.35 172.94 1rml s PRO 148 N 1.40 4.57 -0.49 0.98 0.04 -1.26 -2.58 135.00 137.67 1rml s PRO 148 Ca 0.04 1.75 0.08 0.00 0.04 0.00 0.00 61.00 62.90 1rml s PRO 148 Cb -0.24 -3.27 0.28 0.00 0.04 0.00 0.00 34.50 31.31 1rml s PRO 148 CO 0.01 0.04 0.69 1.47 0.04 0.00 0.00 177.00 179.25 1rml n LEU 149 N 2.42 1.97 -4.80 -3.56 -0.00 -1.17 -4.99 117.00 106.87 1rml n LEU 149 Ca 0.03 -5.12 -0.29 0.00 -0.00 0.00 0.00 56.01 50.63 1rml n LEU 149 Cb 0.46 0.10 0.11 0.00 -0.00 0.00 0.00 43.42 44.09 1rml n LEU 149 CO 0.54 2.15 0.71 -2.16 -0.00 0.00 0.00 177.39 178.64 1rml s PRO 150 N -2.13 1.64 -0.34 1.47 0.04 -1.26 -4.26 135.00 130.15 1rml s PRO 150 Ca 0.39 0.47 0.04 0.00 0.04 0.00 0.00 61.00 61.95 1rml s PRO 150 Cb 0.21 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 33.05 1rml s PRO 150 CO -0.08 -1.89 1.17 1.33 0.04 0.00 0.00 177.00 177.56 1rml n VAL 151 N -3.59 0.00 -1.54 -0.36 0.24 -1.19 -4.89 118.33 107.00 1rml n VAL 151 Ca 0.07 -0.90 -0.13 0.00 -2.04 0.00 0.00 64.34 61.33 1rml n VAL 151 Cb 0.58 0.76 -0.09 0.00 -1.47 0.00 0.00 33.84 33.61 1rml n VAL 151 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1rml n SER 152 N -0.43 1.31 -3.10 -1.34 2.88 -1.26 -4.68 113.62 107.00 1rml n SER 152 Ca -0.18 -1.82 -0.14 0.00 -1.33 0.00 0.00 58.87 55.39 1rml n SER 152 Cb 0.71 -1.60 -0.04 0.00 -0.75 0.00 0.00 64.21 62.53 1rml n SER 152 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1rml s SER 153 N 9.05 -0.02 0.00 -3.46 0.15 -1.26 -5.15 113.70 113.01 1rml s SER 153 Ca 0.87 -2.18 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1rml s SER 153 Cb -0.13 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1rml s SER 153 CO 0.14 -0.13 0.00 -0.67 1.20 0.00 0.00 173.24 173.79