#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 0.73 -1.14 1.97 0.13 -1.96 -3.39 132.00 128.35 1rml h PRO 25 Ca 0.00 -0.72 0.20 0.00 -0.87 0.00 0.00 66.00 64.61 1rml h PRO 25 Cb 0.00 0.19 -0.29 0.00 0.13 0.00 0.00 31.00 31.02 1rml h PRO 25 CO 0.00 1.30 0.86 0.21 -0.23 0.00 0.00 178.00 180.14 1rml s LYS 26 N -3.47 0.13 -0.23 0.86 2.36 -1.26 0.18 119.74 118.30 1rml s LYS 26 Ca -0.10 0.08 -0.03 0.00 -2.55 0.00 0.00 55.97 53.37 1rml s LYS 26 Cb 0.08 0.06 0.12 0.00 -1.05 0.00 0.00 37.83 37.04 1rml s LYS 26 CO 0.92 -0.03 0.33 -0.48 1.55 0.00 0.00 175.35 177.63 1rml s LEU 27 N -0.49 -0.46 1.17 5.43 0.05 -1.23 -3.51 118.68 119.63 1rml s LEU 27 Ca 0.07 0.08 -0.14 0.00 0.05 0.00 0.00 54.13 54.18 1rml s LEU 27 Cb -0.03 0.87 0.28 0.00 -2.05 0.00 0.00 46.19 45.26 1rml s LEU 27 CO -0.10 -0.31 1.03 -0.22 -0.55 0.00 0.00 176.35 176.20 1rml s LEU 28 N 2.47 0.67 -0.23 1.48 0.20 -1.26 -3.79 118.68 118.22 1rml s LEU 28 Ca 0.11 1.29 -0.27 0.00 0.69 0.00 0.00 54.13 55.95 1rml s LEU 28 Cb -0.16 -3.17 0.10 0.00 -0.43 0.00 0.00 46.19 42.54 1rml s LEU 28 CO -0.15 -4.17 0.91 -0.47 -0.29 0.00 0.00 176.35 172.19 1rml s TYR 29 N -2.57 -0.55 0.45 5.38 5.04 -1.19 -4.45 117.35 119.45 1rml s TYR 29 Ca 0.68 1.22 -0.21 0.00 -2.44 0.00 0.00 57.07 56.32 1rml s TYR 29 Cb -0.22 0.36 -0.10 0.00 0.35 0.00 0.00 41.96 42.36 1rml s TYR 29 CO 0.62 -0.33 0.99 0.00 -1.34 0.00 0.00 175.55 175.49 1rml n SER 31 N -0.71 -0.52 -3.33 0.00 2.88 0.49 -4.08 113.62 108.35 1rml n SER 31 Ca 0.08 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.29 1rml n SER 31 Cb 0.53 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1rml n SER 31 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1rml n ASN 32 N -0.78 -2.22 -3.92 -3.46 4.13 -1.25 -0.61 115.26 107.15 1rml n ASN 32 Ca 0.00 0.63 -0.28 0.00 1.68 0.00 0.00 54.58 56.61 1rml n ASN 32 Cb 0.00 -0.68 -0.04 0.00 -1.54 0.00 0.00 39.78 37.52 1rml n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rml n GLY 33 N 1.81 -0.30 3.47 7.41 0.00 -1.26 -4.67 105.19 111.64 1rml n GLY 33 Ca 0.09 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 1rml n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rml s GLY 34 N -3.98 1.94 0.53 -0.02 0.00 0.22 -4.50 107.32 101.51 1rml s GLY 34 Ca 0.15 -1.96 0.08 0.00 0.00 0.00 0.00 44.72 42.99 1rml s GLY 34 CO 0.74 -1.91 0.57 0.30 0.00 0.00 0.00 173.10 172.81 1rml s HIS 35 N -2.86 1.80 -0.48 1.90 3.76 -1.26 -4.61 115.29 113.54 1rml s HIS 35 Ca 0.30 -0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 54.45 1rml s HIS 35 Cb 0.03 -2.11 0.12 0.00 1.11 0.00 0.00 32.58 31.73 1rml s HIS 35 CO 0.13 -0.70 0.31 -0.06 -0.85 0.00 0.00 174.74 173.58 1rml s PHE 36 N -2.65 3.50 0.04 1.40 0.40 0.18 0.15 117.98 121.01 1rml s PHE 36 Ca 0.49 -2.20 -0.36 0.00 -0.60 0.00 0.00 56.93 54.27 1rml s PHE 36 Cb -0.04 -3.37 -0.18 0.00 0.51 0.00 0.00 43.02 39.94 1rml s PHE 36 CO 0.31 -0.97 0.91 1.28 0.70 0.00 0.00 175.22 177.45 1rml n LEU 37 N 4.58 -0.25 -4.57 -0.37 4.77 -1.26 -2.75 117.00 117.14 1rml n LEU 37 Ca -0.03 1.10 -0.26 0.00 -0.03 0.00 0.00 56.01 56.78 1rml n LEU 37 Cb 0.41 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 1rml n LEU 37 CO 0.38 -2.02 -0.25 0.00 -1.33 0.00 0.00 177.39 174.16 1rml s ARG 38 N -0.19 1.90 -0.07 3.23 1.70 0.43 -4.64 118.95 121.30 1rml s ARG 38 Ca 0.81 -2.13 -0.11 0.00 -0.47 0.00 0.00 55.73 53.84 1rml s ARG 38 Cb -1.14 -1.13 0.02 0.00 -0.57 0.00 0.00 34.95 32.14 1rml s ARG 38 CO 0.54 -0.26 0.28 -1.50 -1.08 0.00 0.00 175.30 173.28 1rml s ILE 39 N -3.05 0.02 0.02 4.99 1.10 -1.02 -3.21 121.20 120.05 1rml s ILE 39 Ca 0.27 -0.18 0.04 0.00 -0.51 0.00 0.00 60.65 60.27 1rml s ILE 39 Cb 0.06 -0.46 -0.03 0.00 0.15 0.00 0.00 42.46 42.18 1rml s ILE 39 CO 0.13 -0.10 -0.08 -0.76 -2.11 0.00 0.00 174.94 172.02 1rml s LEU 40 N -0.35 3.10 0.00 8.50 2.01 -0.96 -4.47 118.68 126.51 1rml s LEU 40 Ca -0.05 -0.21 0.17 0.00 0.01 0.00 0.00 54.13 54.06 1rml s LEU 40 Cb -0.03 -1.80 1.02 0.00 0.01 0.00 0.00 46.19 45.39 1rml s LEU 40 CO 0.01 0.26 1.50 -0.81 1.01 0.00 0.00 176.35 178.32 1rml n PRO 41 N 1.42 0.75 -0.08 1.29 -0.04 -1.26 -3.23 135.00 133.84 1rml n PRO 41 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 1rml n PRO 41 Cb 0.52 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 1rml n PRO 41 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1rml h ASP 42 N 0.00 0.00 0.00 3.54 3.32 -2.01 -3.49 116.42 117.78 1rml h ASP 42 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1rml h ASP 42 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rml h ASP 42 CO 0.00 1.04 0.00 0.61 -1.72 0.00 0.00 179.24 179.17 1rml n GLY 43 N 1.55 0.00 3.23 2.75 0.00 -1.20 -5.18 105.19 106.35 1rml n GLY 43 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.27 0.09 2.61 2.01 -1.26 -4.93 115.64 114.43 1rml s THR 44 Ca 0.00 -1.98 -0.10 0.00 0.31 0.00 0.00 61.69 59.92 1rml s THR 44 Cb 0.00 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.08 1rml s THR 44 CO 0.00 -0.12 0.22 -0.69 -0.69 0.00 0.00 174.62 173.34 1rml s VAL 45 N -3.96 0.13 -1.04 3.82 1.01 -1.26 -2.26 120.40 116.85 1rml s VAL 45 Ca 0.35 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1rml s VAL 45 Cb 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1rml s VAL 45 CO 0.10 -0.59 0.00 -0.90 0.00 0.00 0.00 175.10 173.71 1rml n ASP 46 N -0.05 0.00 -4.03 3.32 5.68 -1.20 -4.84 116.55 115.43 1rml n ASP 46 Ca -0.15 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 53.98 1rml n ASP 46 Cb 0.62 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.47 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 0.45 -0.14 6.12 0.00 -1.26 0.16 107.32 112.65 1rml s GLY 47 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1rml s GLY 47 CO 0.00 -0.53 -0.17 -1.59 0.00 0.00 0.00 173.10 170.81 1rml s THR 48 N -0.71 2.58 0.39 0.90 2.01 -1.11 -3.91 115.64 115.78 1rml s THR 48 Ca -0.02 -0.81 0.28 0.00 0.31 0.00 0.00 61.69 61.45 1rml s THR 48 Cb -0.06 -2.07 0.44 0.00 0.01 0.00 0.00 72.50 70.82 1rml s THR 48 CO 0.00 0.53 1.38 -1.14 -0.69 0.00 0.00 174.62 174.70 1rml n ARG 49 N 3.91 -0.03 -3.66 4.92 0.63 -1.26 0.50 116.66 121.67 1rml n ARG 49 Ca -0.19 1.11 -0.14 0.00 -0.92 0.00 0.00 57.85 57.72 1rml n ARG 49 Cb 0.52 -2.19 -0.13 0.00 0.45 0.00 0.00 32.46 31.11 1rml n ARG 49 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1rml s ASP 50 N -4.32 0.38 -0.42 6.15 1.11 -1.26 -4.48 116.67 113.83 1rml s ASP 50 Ca -0.07 0.58 -0.38 0.00 0.18 0.00 0.00 52.55 52.86 1rml s ASP 50 Cb 0.27 0.67 -0.16 0.00 1.07 0.00 0.00 42.92 44.77 1rml s ASP 50 CO 0.72 -0.24 1.58 -2.11 1.18 0.00 0.00 175.17 176.30 1rml n ARG 51 N 5.34 0.00 -2.68 8.23 0.00 -1.25 -4.78 116.66 121.52 1rml n ARG 51 Ca -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.74 1rml n ARG 51 Cb 0.50 -1.26 0.09 0.00 -0.00 0.00 0.00 32.46 31.78 1rml n ARG 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1rml n SER 52 N 4.90 -1.62 -2.36 2.89 3.41 -1.26 -5.13 113.62 114.44 1rml n SER 52 Ca 0.37 -2.24 -0.11 0.00 -0.26 0.00 0.00 58.87 56.62 1rml n SER 52 Cb -0.04 1.15 -0.04 0.00 -0.26 0.00 0.00 64.21 65.02 1rml n SER 52 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rml n ASP 53 N 1.07 0.08 0.21 4.04 2.03 -1.26 -5.02 116.55 117.70 1rml n ASP 53 Ca 0.01 -2.16 0.15 0.00 0.52 0.00 0.00 54.79 53.30 1rml n ASP 53 Cb 0.71 0.78 0.54 0.00 -0.72 0.00 0.00 41.12 42.44 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 0.00 0.00 -0.67 -0.00 -2.02 -3.43 115.11 108.99 1rml h GLN 54 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1rml h GLN 54 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.12 1rml h GLN 54 CO 0.21 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.76 1rml n HIS 55 N -2.75 0.00 -1.18 0.06 8.25 -1.26 -5.03 115.22 113.31 1rml n HIS 55 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1rml n HIS 55 Cb 0.32 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.53 1rml n HIS 55 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1rml n ILE 56 N 0.00 1.47 -1.86 1.59 -0.00 -1.26 -2.45 119.36 116.84 1rml n ILE 56 Ca 0.00 -1.75 -0.34 0.00 -0.00 0.00 0.00 62.75 60.66 1rml n ILE 56 Cb 0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 39.64 39.64 1rml n ILE 56 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 1rml s GLN 57 N -2.21 2.85 0.13 6.28 -0.21 -1.26 -4.45 119.66 120.80 1rml s GLN 57 Ca 0.24 1.57 -0.00 0.00 0.02 0.00 0.00 55.36 57.18 1rml s GLN 57 Cb 0.21 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.28 1rml s GLN 57 CO 0.02 -1.24 0.18 1.28 -2.12 0.00 0.00 175.29 173.41 1rml n LEU 58 N -2.07 0.00 -3.65 2.90 4.32 -1.23 -4.53 117.00 112.73 1rml n LEU 58 Ca 0.12 -1.09 -0.01 0.00 -0.02 0.00 0.00 56.01 55.00 1rml n LEU 58 Cb 0.51 0.94 -0.07 0.00 -1.62 0.00 0.00 43.42 43.18 1rml n LEU 58 CO 0.46 -0.24 1.10 -1.58 -1.22 0.00 0.00 177.39 175.91 1rml s GLN 59 N -2.32 0.06 0.28 3.23 0.74 -1.18 -4.15 119.66 116.31 1rml s GLN 59 Ca 0.11 0.08 0.06 0.00 0.05 0.00 0.00 55.36 55.66 1rml s GLN 59 Cb -0.00 0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.10 1rml s GLN 59 CO 0.08 -0.01 0.34 -0.51 -0.55 0.00 0.00 175.29 174.64 1rml s LEU 60 N 0.38 4.04 -0.36 3.68 1.43 -1.26 0.11 118.68 126.70 1rml s LEU 60 Ca 0.02 -0.13 0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1rml s LEU 60 Cb -0.04 -2.64 0.41 0.00 0.03 0.00 0.00 46.19 43.95 1rml s LEU 60 CO -0.14 -0.18 0.98 -0.24 0.23 0.00 0.00 176.35 177.01 1rml n SER 61 N -1.41 0.33 -4.44 2.29 2.88 0.14 -4.79 113.62 108.63 1rml n SER 61 Ca -0.06 -2.84 -0.60 0.00 -1.33 0.00 0.00 58.87 54.04 1rml n SER 61 Cb 0.58 -0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.03 -2.75 -0.05 -1.46 0.00 -1.26 -2.85 120.51 112.11 1rml n ALA 62 Ca 0.11 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1rml n ALA 62 Cb 0.77 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 2.32 -0.23 0.00 0.00 -0.00 -1.20 -4.82 120.64 116.71 1rml n GLU 63 Ca 0.23 -0.66 0.00 0.00 -0.00 0.00 0.00 57.16 56.73 1rml n GLU 63 Cb 0.03 -0.98 0.00 0.00 -0.00 0.00 0.00 31.44 30.49 1rml n GLU 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1rml n SER 64 N -0.09 0.00 -4.79 -1.84 7.64 -0.67 -5.02 113.62 108.85 1rml n SER 64 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1rml n SER 64 Cb 0.06 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.24 1rml n SER 64 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1rml s VAL 65 N -2.00 3.57 -1.03 0.44 -7.23 -1.26 -2.87 120.40 110.03 1rml s VAL 65 Ca 0.00 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 1rml s VAL 65 Cb 0.00 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1rml s VAL 65 CO 0.00 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1rml n GLY 66 N -0.08 0.77 3.15 2.32 0.00 -1.26 -4.82 105.19 105.28 1rml n GLY 66 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.10 0.47 0.20 1.61 2.12 -1.14 -2.75 118.70 116.12 1rml s GLU 67 Ca 0.00 0.80 0.02 0.00 0.36 0.00 0.00 54.97 56.15 1rml s GLU 67 Cb 0.00 0.44 -0.05 0.00 0.26 0.00 0.00 34.13 34.78 1rml s GLU 67 CO 0.00 -0.54 0.01 0.14 -0.54 0.00 0.00 175.26 174.34 1rml s VAL 68 N 2.88 0.77 0.55 3.70 -7.23 -0.60 -1.66 120.40 118.80 1rml s VAL 68 Ca 0.15 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.39 1rml s VAL 68 Cb -0.13 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.59 1rml s VAL 68 CO -0.19 -0.36 0.50 -0.31 -0.31 0.00 0.00 175.10 174.44 1rml s TYR 69 N -3.60 1.61 -0.24 2.82 2.02 -1.13 0.18 117.35 119.01 1rml s TYR 69 Ca 0.27 -0.80 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 1rml s TYR 69 Cb 0.06 -2.00 0.08 0.00 -0.40 0.00 0.00 41.96 39.70 1rml s TYR 69 CO 0.07 -0.64 0.56 0.42 -1.57 0.00 0.00 175.55 174.39 1rml s ILE 70 N -2.73 -0.18 -0.22 2.71 1.01 -1.26 -0.68 121.20 119.85 1rml s ILE 70 Ca 0.42 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.09 1rml s ILE 70 Cb -0.03 -0.83 0.07 0.00 0.01 0.00 0.00 42.46 41.67 1rml s ILE 70 CO 0.26 0.02 0.04 -0.75 0.00 0.00 0.00 174.94 174.51 1rml s LYS 71 N 1.78 0.74 -0.92 2.79 2.36 0.31 -2.29 119.74 124.51 1rml s LYS 71 Ca -0.09 -0.59 -0.24 0.00 -2.55 0.00 0.00 55.97 52.50 1rml s LYS 71 Cb -0.08 -2.10 -0.20 0.00 -1.05 0.00 0.00 37.83 34.40 1rml s LYS 71 CO -0.17 -0.71 2.13 0.45 1.55 0.00 0.00 175.35 178.60 1rml n SER 72 N 4.99 1.12 -4.56 1.43 2.88 0.58 -3.09 113.62 116.97 1rml n SER 72 Ca -0.08 -2.05 -0.13 0.00 -1.33 0.00 0.00 58.87 55.27 1rml n SER 72 Cb 0.46 -1.59 -0.11 0.00 -0.75 0.00 0.00 64.21 62.22 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 8.58 0.00 0.06 2.46 5.66 -1.26 -3.09 114.28 126.69 1rml n THR 73 Ca 0.41 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 1rml n THR 73 Cb 0.45 -1.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.30 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 8.19 0.00 -3.00 1.09 4.07 -1.26 -4.65 120.64 125.08 1rml n GLU 74 Ca 0.42 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.37 1rml n GLU 74 Cb 0.46 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.85 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 -2.70 -0.19 -2.55 6.31 5.66 -1.18 -5.05 114.28 114.58 1rml n THR 75 Ca 0.00 -3.17 0.00 0.00 -3.05 0.00 0.00 64.05 57.83 1rml n THR 75 Cb 0.00 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 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 0.68 0.00 3.40 1.09 0.00 -1.26 -4.99 105.19 104.11 1rml n GLY 76 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1rml n GLY 76 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rml s GLN 77 N -0.61 0.62 -0.25 1.61 1.11 -1.25 -5.00 119.66 115.89 1rml s GLN 77 Ca 0.00 0.63 0.02 0.00 0.01 0.00 0.00 55.36 56.02 1rml s GLN 77 Cb 0.00 0.30 0.06 0.00 -1.01 0.00 0.00 33.01 32.36 1rml s GLN 77 CO 0.00 -0.09 -0.07 0.71 0.01 0.00 0.00 175.29 175.84 1rml s TYR 78 N 0.09 2.89 0.30 0.91 2.02 -1.26 0.21 117.35 122.52 1rml s TYR 78 Ca -0.01 -2.11 -0.28 0.00 -0.37 0.00 0.00 57.07 54.30 1rml s TYR 78 Cb -0.03 -1.82 -0.14 0.00 -0.40 0.00 0.00 41.96 39.57 1rml s TYR 78 CO 0.01 -0.84 1.09 -0.11 -1.57 0.00 0.00 175.55 174.14 1rml n LEU 79 N 4.53 2.27 -3.83 -1.29 7.94 -0.97 -2.76 117.00 122.89 1rml n LEU 79 Ca -0.12 1.19 -0.07 0.00 -1.11 0.00 0.00 56.01 55.89 1rml n LEU 79 Cb 0.43 -1.34 0.02 0.00 0.53 0.00 0.00 43.42 43.06 1rml n LEU 79 CO 0.20 -1.14 0.62 0.00 -1.11 0.00 0.00 177.39 175.95 1rml s ALA 80 N -1.02 -1.03 -0.10 1.96 0.00 0.46 -4.35 121.76 117.69 1rml s ALA 80 Ca 0.58 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 1rml s ALA 80 Cb -0.67 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1rml s ALA 80 CO 0.60 -1.01 0.10 1.41 0.00 0.00 0.00 175.76 176.86 1rml s MET 81 N -2.31 0.00 0.97 0.00 1.75 -1.26 0.15 119.30 118.60 1rml s MET 81 Ca 0.17 0.25 -0.13 0.00 -1.25 0.00 0.00 55.69 54.73 1rml s MET 81 Cb -0.04 -0.94 0.17 0.00 2.84 0.00 0.00 34.83 36.86 1rml s MET 81 CO 0.09 -0.46 1.12 -0.51 -0.65 0.00 0.00 175.02 174.62 1rml s ASP 82 N 2.19 2.93 0.48 1.11 1.01 -1.22 -4.78 116.67 118.38 1rml s ASP 82 Ca 0.04 0.99 0.27 0.00 0.71 0.00 0.00 52.55 54.56 1rml s ASP 82 Cb -0.14 -1.56 1.46 0.00 1.01 0.00 0.00 42.92 43.69 1rml s ASP 82 CO -0.06 -2.92 1.80 0.74 0.21 0.00 0.00 175.17 174.94 1rml h THR 83 N -1.75 0.00 -0.01 -1.27 2.02 -1.97 0.91 112.91 110.85 1rml h THR 83 Ca -0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1rml h THR 83 Cb 1.33 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1rml h THR 83 CO 0.58 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.94 1rml n ASP 84 N -2.54 0.19 -1.43 4.18 8.00 -1.26 -4.85 116.55 118.84 1rml n ASP 84 Ca -0.02 -1.26 -0.19 0.00 0.71 0.00 0.00 54.79 54.04 1rml n ASP 84 Cb 0.18 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.20 1rml n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rml n GLY 85 N 0.93 1.78 3.41 0.44 0.00 0.32 -3.43 105.19 108.63 1rml n GLY 85 Ca 0.19 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.24 4.93 -0.04 0.99 0.20 -1.25 -2.23 118.68 117.03 1rml s LEU 86 Ca 0.00 -0.98 -0.40 0.00 0.69 0.00 0.00 54.13 53.44 1rml s LEU 86 Cb 0.00 -2.08 -0.19 0.00 -0.43 0.00 0.00 46.19 43.48 1rml s LEU 86 CO 0.00 -0.43 1.08 0.18 -0.29 0.00 0.00 176.35 176.90 1rml n LEU 87 N 5.07 0.09 -4.04 -0.68 4.32 -1.26 -3.45 117.00 117.05 1rml n LEU 87 Ca -0.11 1.13 -0.10 0.00 -0.02 0.00 0.00 56.01 56.91 1rml n LEU 87 Cb 0.46 -0.89 -0.06 0.00 -1.62 0.00 0.00 43.42 41.31 1rml n LEU 87 CO 0.39 -1.78 0.11 -0.72 -1.22 0.00 0.00 177.39 174.17 1rml s TYR 88 N 0.24 0.53 0.25 -1.77 1.13 0.39 -4.42 117.35 113.70 1rml s TYR 88 Ca 0.90 -0.87 0.09 0.00 -1.41 0.00 0.00 57.07 55.78 1rml s TYR 88 Cb -1.26 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 39.61 1rml s TYR 88 CO 0.58 -0.94 -0.00 0.20 -2.51 0.00 0.00 175.55 172.87 1rml s GLY 89 N -3.05 1.65 -0.18 5.49 0.00 -1.26 0.17 107.32 110.15 1rml s GLY 89 Ca 0.26 -1.60 -0.17 0.00 0.00 0.00 0.00 44.72 43.21 1rml s GLY 89 CO 0.10 -1.65 0.48 -0.45 0.00 0.00 0.00 173.10 171.58 1rml s SER 90 N -3.54 -0.50 0.00 1.64 0.15 -1.11 -4.94 113.70 105.39 1rml s SER 90 Ca 0.31 0.95 0.23 0.00 0.70 0.00 0.00 55.95 58.14 1rml s SER 90 Cb -0.07 0.96 1.33 0.00 -1.71 0.00 0.00 66.02 66.54 1rml s SER 90 CO 0.20 -0.18 1.77 1.67 1.20 0.00 0.00 173.24 177.90 1rml n GLN 91 N 2.77 0.62 -3.84 5.44 7.27 -1.26 -3.98 117.38 124.41 1rml n GLN 91 Ca -0.14 0.02 -0.33 0.00 0.07 0.00 0.00 57.00 56.62 1rml n GLN 91 Cb 0.57 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.60 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 -2.17 3.14 -0.76 1.69 -4.23 -1.26 -5.04 115.64 107.01 1rml s THR 92 Ca 0.31 -3.08 -0.26 0.00 -1.18 0.00 0.00 61.69 57.49 1rml s THR 92 Cb 0.16 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1rml s THR 92 CO 0.29 -0.83 1.60 -2.16 -0.54 0.00 0.00 174.62 172.99 1rml s PRO 93 N -0.10 2.96 0.00 3.99 0.04 -1.26 -4.59 135.00 136.04 1rml s PRO 93 Ca 0.16 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1rml s PRO 93 Cb -0.23 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.76 1rml s PRO 93 CO -0.02 -2.54 0.00 0.09 0.04 0.00 0.00 177.00 174.57 1rml n ASN 94 N 11.14 0.63 -0.32 6.66 5.03 -1.26 -4.92 115.26 132.22 1rml n ASN 94 Ca 0.19 0.00 0.27 0.00 0.87 0.00 0.00 54.58 55.91 1rml n ASN 94 Cb 0.50 0.00 0.59 0.00 -1.02 0.00 0.00 39.78 39.85 1rml n ASN 94 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1rml h GLU 95 N 0.00 0.24 0.14 3.52 3.07 -1.94 -0.26 114.58 119.36 1rml h GLU 95 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1rml h GLU 95 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1rml h GLU 95 CO 0.00 0.16 -0.07 1.49 -1.40 0.00 0.00 179.01 179.19 1rml h GLU 96 N 0.25 -0.19 -0.95 2.33 4.81 -1.92 -3.12 114.58 115.79 1rml h GLU 96 Ca 0.59 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 60.10 1rml h GLU 96 Cb 1.77 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 31.03 1rml h GLU 96 CO -0.21 -0.12 0.09 0.00 -0.73 0.00 0.00 179.01 178.04 1rml n LEU 98 N -5.42 -3.03 -3.52 0.00 4.77 -0.18 -4.40 117.00 105.22 1rml n LEU 98 Ca 0.23 0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 56.07 1rml n LEU 98 Cb 0.75 -0.75 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1rml n LEU 98 CO -0.03 -3.39 -0.18 -0.36 -1.33 0.00 0.00 177.39 172.10 1rml s PHE 99 N -2.11 -0.35 -0.53 -1.77 0.08 0.47 -4.29 117.98 109.47 1rml s PHE 99 Ca 0.45 0.45 -0.26 0.00 0.12 0.00 0.00 56.93 57.68 1rml s PHE 99 Cb -0.04 -0.26 -0.08 0.00 -0.57 0.00 0.00 43.02 42.07 1rml s PHE 99 CO 0.69 -0.55 2.44 1.28 -0.10 0.00 0.00 175.22 178.99 1rml n LEU 100 N 5.33 2.15 -4.93 -0.37 4.77 -0.71 -1.56 117.00 121.68 1rml n LEU 100 Ca -0.05 -0.47 -0.28 0.00 -0.03 0.00 0.00 56.01 55.18 1rml n LEU 100 Cb 0.50 -1.54 0.12 0.00 -2.33 0.00 0.00 43.42 40.17 1rml n LEU 100 CO 0.07 -1.52 0.73 -0.70 -1.33 0.00 0.00 177.39 174.64 1rml s GLU 101 N 8.36 1.49 0.00 3.23 -6.30 -1.11 -0.23 118.70 124.14 1rml s GLU 101 Ca 1.01 -0.38 0.00 0.00 -2.50 0.00 0.00 54.97 53.10 1rml s GLU 101 Cb -0.26 -2.03 0.00 0.00 0.00 0.00 0.00 34.13 31.84 1rml s GLU 101 CO 0.28 -1.77 0.00 2.89 0.02 0.00 0.00 175.26 176.67 1rml n ARG 102 N -3.29 0.00 -0.60 4.30 0.00 -1.23 -4.01 116.66 111.82 1rml n ARG 102 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.83 1rml n ARG 102 Cb 0.60 0.00 -0.07 0.00 -0.00 0.00 0.00 32.46 32.99 1rml n ARG 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1rml n LEU 103 N 0.00 -0.10 -0.06 2.89 0.00 -1.26 -4.43 117.00 114.05 1rml n LEU 103 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 56.01 55.92 1rml n LEU 103 Cb 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 43.42 43.19 1rml n LEU 103 CO 0.00 -0.37 0.66 -0.08 0.00 0.00 0.00 177.39 177.60 1rml h GLU 104 N 4.68 0.71 0.00 1.96 4.22 -1.88 -3.45 114.58 120.81 1rml h GLU 104 Ca -0.01 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.12 1rml h GLU 104 Cb 0.50 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1rml h GLU 104 CO 0.58 0.91 0.00 -1.91 -2.18 0.00 0.00 179.01 176.42 1rml n GLU 105 N -4.08 0.00 -2.35 1.92 2.13 -1.26 -5.06 120.64 111.93 1rml n GLU 105 Ca -0.01 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1rml n GLU 105 Cb 0.46 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.24 1rml n GLU 105 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1rml n ASN 106 N 0.00 -0.28 0.00 4.31 5.15 -1.26 -4.99 115.26 118.19 1rml n ASN 106 Ca 0.00 -2.11 0.00 0.00 -0.60 0.00 0.00 54.58 51.87 1rml n ASN 106 Cb 0.00 0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 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 -0.85 -1.06 -0.44 1.20 8.25 -1.26 -5.15 115.22 115.91 1rml n HIS 107 Ca -0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 1rml n HIS 107 Cb 0.86 0.21 0.12 0.00 1.12 0.00 0.00 29.99 32.30 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 -1.78 -2.26 -3.11 4.41 4.01 -1.26 -4.96 117.16 112.21 1rml n TYR 108 Ca 0.00 -0.02 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1rml n TYR 108 Cb 0.00 -1.15 -0.05 0.00 -0.31 0.00 0.00 39.34 37.83 1rml n TYR 108 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1rml n ASN 109 N -1.15 -1.69 -4.55 7.72 3.02 -1.10 -4.53 115.26 112.97 1rml n ASN 109 Ca 0.06 -2.65 -0.33 0.00 -0.03 0.00 0.00 54.58 51.63 1rml n ASN 109 Cb 0.24 0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.81 1rml n ASN 109 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rml s THR 110 N 0.31 3.35 0.97 3.41 -4.23 -1.26 -4.47 115.64 113.72 1rml s THR 110 Ca 0.32 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 1rml s THR 110 Cb 0.04 -3.88 0.21 0.00 1.34 0.00 0.00 72.50 70.22 1rml s THR 110 CO -0.14 -0.84 1.32 -0.31 -0.54 0.00 0.00 174.62 174.12 1rml s TYR 111 N 9.84 1.52 -0.22 3.99 1.51 -1.26 -3.58 117.35 129.15 1rml s TYR 111 Ca 0.71 0.31 -0.12 0.00 -1.01 0.00 0.00 57.07 56.95 1rml s TYR 111 Cb -0.11 -4.13 0.07 0.00 -0.11 0.00 0.00 41.96 37.68 1rml s TYR 111 CO 0.13 -2.71 0.55 0.42 -1.11 0.00 0.00 175.55 172.83 1rml s ILE 112 N -3.89 -0.04 -0.68 2.71 1.01 0.68 -3.72 121.20 117.28 1rml s ILE 112 Ca 0.74 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 61.17 1rml s ILE 112 Cb -0.04 -0.80 -0.17 0.00 0.01 0.00 0.00 42.46 41.46 1rml s ILE 112 CO 0.53 0.02 2.01 -0.24 0.00 0.00 0.00 174.94 177.26 1rml n SER 113 N 4.33 0.34 -0.12 3.58 2.88 0.50 -1.73 113.62 123.39 1rml n SER 113 Ca -0.21 0.26 -0.11 0.00 -1.33 0.00 0.00 58.87 57.47 1rml n SER 113 Cb 0.57 -0.72 0.01 0.00 -0.75 0.00 0.00 64.21 63.32 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 8.81 0.91 -0.05 -1.46 3.64 -1.81 1.36 116.57 127.96 1rml h LYS 114 Ca -0.05 -0.43 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1rml h LYS 114 Cb 1.06 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1rml h LYS 114 CO 1.03 1.08 0.33 -0.22 -2.27 0.00 0.00 179.45 179.41 1rml h LYS 115 N 0.76 0.00 -0.13 1.90 3.64 -1.76 -3.28 116.57 117.70 1rml h LYS 115 Ca 0.08 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1rml h LYS 115 Cb 0.88 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.56 1rml h LYS 115 CO 0.08 0.00 -0.17 -2.39 -2.27 0.00 0.00 179.45 174.70 1rml n HIS 116 N -3.00 -1.26 1.36 1.91 1.44 -0.84 -4.98 115.22 109.84 1rml n HIS 116 Ca -0.01 -0.89 0.14 0.00 -2.01 0.00 0.00 57.72 54.95 1rml n HIS 116 Cb 0.40 1.19 0.55 0.00 0.12 0.00 0.00 29.99 32.25 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 1.97 2.84 0.18 1.59 0.00 0.46 -3.63 120.51 123.92 1rml n ALA 117 Ca 0.07 -0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.30 1rml n ALA 117 Cb 0.67 -1.28 0.50 0.00 0.00 0.00 0.00 19.45 19.33 1rml n ALA 117 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rml n GLU 118 N -0.88 0.13 -0.03 0.00 2.13 -1.26 0.55 120.64 121.27 1rml n GLU 118 Ca 0.14 0.59 0.07 0.00 0.66 0.00 0.00 57.16 58.62 1rml n GLU 118 Cb 0.30 -1.88 0.08 0.00 0.27 0.00 0.00 31.44 30.20 1rml n GLU 118 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1rml n LYS 119 N -2.15 1.24 -1.73 5.31 4.81 -1.24 -4.95 118.16 119.45 1rml n LYS 119 Ca -0.01 -1.47 -0.15 0.00 -0.87 0.00 0.00 58.31 55.81 1rml n LYS 119 Cb 0.06 -1.29 -0.05 0.00 0.02 0.00 0.00 35.03 33.77 1rml n LYS 119 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1rml n ASN 120 N 0.83 -4.77 -4.56 3.14 5.03 0.19 -4.83 115.26 110.29 1rml n ASN 120 Ca 0.09 0.25 -0.13 0.00 0.87 0.00 0.00 54.58 55.66 1rml n ASN 120 Cb 0.38 -3.72 -0.08 0.00 -1.02 0.00 0.00 39.78 35.34 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 -3.05 1.11 -0.50 3.10 8.01 -1.26 -4.46 117.44 120.40 1rml n TRP 121 Ca -0.16 -0.03 -0.10 0.00 -1.31 0.00 0.00 57.50 55.90 1rml n TRP 121 Cb 0.55 -2.56 0.09 0.00 -2.01 0.00 0.00 31.31 27.38 1rml n TRP 121 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 1rml n PHE 122 N 18.48 -3.08 -1.33 -5.99 3.01 -1.20 0.19 117.46 127.54 1rml n PHE 122 Ca 0.47 -0.31 0.08 0.00 1.01 0.00 0.00 57.45 58.70 1rml n PHE 122 Cb 0.42 -0.39 0.13 0.00 -0.01 0.00 0.00 39.48 39.64 1rml n PHE 122 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1rml n VAL 123 N -3.48 1.62 -1.73 -4.37 3.14 -1.24 -4.38 118.33 107.89 1rml n VAL 123 Ca 0.05 -2.07 -0.18 0.00 -2.96 0.00 0.00 64.34 59.18 1rml n VAL 123 Cb 0.20 -0.10 0.12 0.00 -1.06 0.00 0.00 33.84 33.00 1rml n VAL 123 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rml n GLY 124 N -1.13 -1.04 2.95 7.55 0.00 -1.26 -5.02 105.19 107.24 1rml n GLY 124 Ca 0.14 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 1rml n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rml s LEU 125 N 0.00 -0.32 -0.07 0.99 1.02 -1.24 -3.97 118.68 115.09 1rml s LEU 125 Ca 0.47 0.40 -0.36 0.00 0.02 0.00 0.00 54.13 54.66 1rml s LEU 125 Cb -0.01 0.72 -0.17 0.00 0.02 0.00 0.00 46.19 46.74 1rml s LEU 125 CO 0.33 -0.27 1.01 1.17 0.02 0.00 0.00 176.35 178.61 1rml n LYS 126 N 5.35 0.00 -0.44 1.70 4.81 -1.23 -4.59 118.16 123.75 1rml n LYS 126 Ca -0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.26 1rml n LYS 126 Cb 0.50 -1.30 -0.02 0.00 0.02 0.00 0.00 35.03 34.23 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 1.67 1.21 0.00 1.64 -0.00 -1.26 -2.83 118.16 118.59 1rml n LYS 127 Ca 0.19 -1.01 0.00 0.00 -0.00 0.00 0.00 58.31 57.49 1rml n LYS 127 Cb 0.05 -2.21 0.00 0.00 -0.00 0.00 0.00 35.03 32.87 1rml n LYS 127 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1rml n ASN 128 N 4.33 0.97 0.00 -5.58 4.13 -1.26 -5.03 115.26 112.82 1rml n ASN 128 Ca 0.26 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.52 1rml n ASN 128 Cb 0.10 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 1rml n ASN 128 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rml n GLY 129 N 2.20 -0.02 0.00 7.41 0.00 -1.13 -4.95 105.19 108.70 1rml n GLY 129 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.03 1.61 7.64 -1.25 -4.97 113.62 112.62 1rml n SER 130 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1rml n SER 130 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 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 -2.99 2.06 0.47 0.00 2.20 -1.25 -4.59 119.74 115.63 1rml s LYS 132 Ca 0.44 -0.99 -0.19 0.00 -0.36 0.00 0.00 55.97 54.86 1rml s LYS 132 Cb -0.04 -2.18 -0.09 0.00 -1.51 0.00 0.00 37.83 34.01 1rml s LYS 132 CO 0.56 0.54 0.98 0.50 -0.36 0.00 0.00 175.35 177.57 1rml s ARG 133 N -1.47 4.01 0.03 4.03 3.52 -1.26 -4.70 118.95 123.11 1rml s ARG 133 Ca 0.15 1.13 -0.06 0.00 -0.13 0.00 0.00 55.73 56.81 1rml s ARG 133 Cb -0.10 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.13 1rml s ARG 133 CO 0.05 -0.22 0.86 0.41 -0.81 0.00 0.00 175.30 175.59 1rml n GLY 134 N -0.84 -2.24 2.28 8.12 0.00 -0.95 -0.08 105.19 111.49 1rml n GLY 134 Ca 0.07 0.57 -0.18 0.00 0.00 0.00 0.00 46.02 46.48 1rml n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rml n PRO 135 N -3.35 2.06 -0.95 1.61 -0.04 -1.26 -2.73 135.00 130.33 1rml n PRO 135 Ca 0.00 -1.20 -0.01 0.00 -0.04 0.00 0.00 63.50 62.26 1rml n PRO 135 Cb 0.05 -2.19 -0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1rml n PRO 135 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rml n ARG 136 N 3.20 0.09 -3.65 0.54 1.74 0.88 -5.10 116.66 114.36 1rml n ARG 136 Ca 0.44 -0.22 -0.29 0.00 -0.77 0.00 0.00 57.85 57.02 1rml n ARG 136 Cb 0.46 0.37 -0.16 0.00 -1.02 0.00 0.00 32.46 32.12 1rml n ARG 136 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1rml s THR 137 N 0.01 0.35 -0.23 0.55 -4.23 -1.11 -4.42 115.64 106.55 1rml s THR 137 Ca 0.01 -0.82 -0.19 0.00 -1.18 0.00 0.00 61.69 59.51 1rml s THR 137 Cb 0.03 -1.14 0.06 0.00 1.34 0.00 0.00 72.50 72.79 1rml s THR 137 CO -0.01 -0.53 0.61 -1.00 -0.54 0.00 0.00 174.62 173.15 1rml s HIS 138 N 1.90 -0.75 0.70 3.99 3.76 -1.26 -3.27 115.29 120.36 1rml s HIS 138 Ca 0.06 1.71 -0.12 0.00 -0.15 0.00 0.00 55.06 56.57 1rml s HIS 138 Cb -0.17 0.32 0.18 0.00 1.11 0.00 0.00 32.58 34.02 1rml s HIS 138 CO -0.23 -0.37 0.51 2.48 -0.85 0.00 0.00 174.74 176.29 1rml n TYR 139 N 3.23 -3.22 0.00 1.40 4.11 -1.26 -4.89 117.16 116.54 1rml n TYR 139 Ca -0.16 -0.47 0.00 0.00 -0.00 0.00 0.00 57.90 57.27 1rml n TYR 139 Cb 0.56 -0.62 0.00 0.00 -0.00 0.00 0.00 39.34 39.29 1rml n TYR 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1rml n GLY 140 N -2.10 0.37 0.67 -7.48 0.00 -1.26 -5.02 105.19 90.37 1rml n GLY 140 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1rml n GLY 140 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rml n GLN 141 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.08 117.38 115.65 1rml n GLN 141 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1rml n GLN 141 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1rml n GLN 141 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1rml n LYS 142 N -1.59 0.00 -0.47 -1.09 0.00 -1.26 -5.01 118.16 108.74 1rml n LYS 142 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1rml n LYS 142 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 35.03 35.29 1rml n LYS 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rml n ALA 143 N 0.00 3.08 0.00 0.58 0.00 -1.26 -3.83 120.51 119.08 1rml n ALA 143 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.10 1rml n ALA 143 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1rml n ALA 143 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1rml n ILE 144 N -0.52 0.00 -1.54 0.00 -5.35 -1.26 -3.65 119.36 107.03 1rml n ILE 144 Ca 0.22 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.35 1rml n ILE 144 Cb 0.91 -0.24 -0.06 0.00 -1.74 0.00 0.00 39.64 38.51 1rml n ILE 144 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1rml n LEU 145 N -1.04 1.82 -4.63 7.28 4.77 -1.26 -4.30 117.00 119.64 1rml n LEU 145 Ca 0.00 -0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 55.11 1rml n LEU 145 Cb 0.16 -1.45 -0.06 0.00 -2.33 0.00 0.00 43.42 39.74 1rml n LEU 145 CO 0.00 -1.50 0.41 -0.36 -1.33 0.00 0.00 177.39 174.61 1rml s PHE 146 N 11.62 3.29 -0.45 -1.77 0.08 -1.26 0.18 117.98 129.68 1rml s PHE 146 Ca 1.06 0.85 -0.12 0.00 0.12 0.00 0.00 56.93 58.84 1rml s PHE 146 Cb -0.39 -2.85 0.08 0.00 -0.57 0.00 0.00 43.02 39.29 1rml s PHE 146 CO 0.30 -0.31 0.33 -1.17 -0.10 0.00 0.00 175.22 174.26 1rml s LEU 147 N 2.46 5.42 0.18 -0.37 1.98 0.14 -2.72 118.68 125.77 1rml s LEU 147 Ca 0.27 -1.50 -0.30 0.00 -2.89 0.00 0.00 54.13 49.71 1rml s LEU 147 Cb -0.16 -2.07 -0.08 0.00 0.66 0.00 0.00 46.19 44.55 1rml s LEU 147 CO 0.09 -0.61 1.12 -2.16 -1.89 0.00 0.00 176.35 172.90 1rml s PRO 148 N 1.50 4.58 -0.51 0.98 0.04 -1.26 -3.16 135.00 137.16 1rml s PRO 148 Ca 0.04 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.89 1rml s PRO 148 Cb -0.24 -3.27 0.22 0.00 0.04 0.00 0.00 34.50 31.25 1rml s PRO 148 CO 0.03 0.05 0.52 1.47 0.04 0.00 0.00 177.00 179.11 1rml n LEU 149 N 2.35 1.29 -4.80 -3.56 -0.00 -1.25 -5.03 117.00 106.00 1rml n LEU 149 Ca 0.03 -4.87 -0.30 0.00 -0.00 0.00 0.00 56.01 50.87 1rml n LEU 149 Cb 0.46 0.09 0.09 0.00 -0.00 0.00 0.00 43.42 44.06 1rml n LEU 149 CO 0.54 1.96 0.71 -2.16 -0.00 0.00 0.00 177.39 178.44 1rml s PRO 150 N -1.20 2.05 -0.35 1.47 0.04 -1.26 -3.57 135.00 132.18 1rml s PRO 150 Ca 0.34 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.04 1rml s PRO 150 Cb 0.10 -1.92 0.31 0.00 0.04 0.00 0.00 34.50 33.03 1rml s PRO 150 CO -0.12 -1.64 1.31 1.33 0.04 0.00 0.00 177.00 177.92 1rml n VAL 151 N -3.44 0.00 -1.69 -0.36 0.24 0.46 -4.89 118.33 108.65 1rml n VAL 151 Ca 0.07 -0.80 -0.17 0.00 -2.04 0.00 0.00 64.34 61.40 1rml n VAL 151 Cb 0.56 1.15 -0.11 0.00 -1.47 0.00 0.00 33.84 33.98 1rml n VAL 151 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1rml s SER 152 N -0.42 3.69 -0.50 -1.34 0.15 -1.11 -4.31 113.70 109.87 1rml s SER 152 Ca 0.22 -1.09 0.08 0.00 0.70 0.00 0.00 55.95 55.86 1rml s SER 152 Cb 0.27 -2.60 0.33 0.00 -1.71 0.00 0.00 66.02 62.31 1rml s SER 152 CO -0.16 -4.49 0.82 -0.24 1.20 0.00 0.00 173.24 170.37 1rml n SER 153 N 18.82 2.84 0.00 5.45 2.88 -1.26 -5.08 113.62 137.27 1rml n SER 153 Ca 0.42 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.61 1rml n SER 153 Cb 0.47 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1rml n SER 153 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14