#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rml n PRO 25 N 0.00 2.10 -3.76 1.97 -0.04 -1.26 -4.73 135.00 129.28 1rml n PRO 25 Ca 0.00 -1.23 -0.13 0.00 -0.04 0.00 0.00 63.50 62.10 1rml n PRO 25 Cb 0.00 -2.22 -0.11 0.00 -0.04 0.00 0.00 33.50 31.13 1rml n PRO 25 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1rml s LYS 26 N 2.15 0.36 -0.30 0.54 2.47 -1.26 0.36 119.74 124.06 1rml s LYS 26 Ca 0.51 0.47 -0.15 0.00 -1.56 0.00 0.00 55.97 55.24 1rml s LYS 26 Cb 0.19 0.14 0.15 0.00 -1.46 0.00 0.00 37.83 36.85 1rml s LYS 26 CO -0.02 -0.06 0.92 -0.48 0.16 0.00 0.00 175.35 175.86 1rml s LEU 27 N 0.32 -0.66 0.43 5.43 0.05 -1.26 -4.31 118.68 118.68 1rml s LEU 27 Ca -0.01 0.96 -0.22 0.00 0.05 0.00 0.00 54.13 54.91 1rml s LEU 27 Cb -0.03 1.82 -0.09 0.00 -2.05 0.00 0.00 46.19 45.84 1rml s LEU 27 CO -0.01 -0.14 1.01 -0.22 -0.55 0.00 0.00 176.35 176.44 1rml s LEU 28 N 2.14 3.99 0.00 1.48 0.20 -1.26 -3.04 118.68 122.20 1rml s LEU 28 Ca -0.05 1.89 0.01 0.00 0.69 0.00 0.00 54.13 56.67 1rml s LEU 28 Cb -0.06 -4.41 -0.01 0.00 -0.43 0.00 0.00 46.19 41.29 1rml s LEU 28 CO -0.17 -0.53 -0.05 -0.47 -0.29 0.00 0.00 176.35 174.84 1rml s TYR 29 N -1.91 0.40 0.36 5.38 5.04 -0.44 -4.40 117.35 121.79 1rml s TYR 29 Ca 0.62 -0.14 -0.25 0.00 -2.44 0.00 0.00 57.07 54.85 1rml s TYR 29 Cb -0.16 -0.26 -0.09 0.00 0.35 0.00 0.00 41.96 41.80 1rml s TYR 29 CO 0.20 -0.02 1.04 0.00 -1.34 0.00 0.00 175.55 175.43 1rml n SER 31 N 0.29 0.00 -0.01 0.00 2.88 0.51 -3.77 113.62 113.52 1rml n SER 31 Ca 0.03 0.62 0.10 0.00 -1.33 0.00 0.00 58.87 58.30 1rml n SER 31 Cb 0.49 -0.34 -0.16 0.00 -0.75 0.00 0.00 64.21 63.45 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 -1.52 0.28 -0.33 -3.46 3.02 -1.26 -4.32 115.26 107.67 1rml n ASN 32 Ca 0.00 -0.12 -0.04 0.00 -0.03 0.00 0.00 54.58 54.39 1rml n ASN 32 Cb 0.00 1.84 0.08 0.00 -0.61 0.00 0.00 39.78 41.10 1rml n ASN 32 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1rml h GLY 33 N 3.97 1.33 0.00 7.41 0.00 -1.78 -3.46 103.07 110.54 1rml h GLY 33 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1rml h GLY 33 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 176.54 177.73 1rml n GLY 34 N -1.12 2.08 3.91 4.60 0.00 -1.25 -4.85 105.19 108.57 1rml n GLY 34 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1rml n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rml s HIS 35 N -3.03 3.08 -0.34 1.61 3.76 -1.25 -4.17 115.29 114.95 1rml s HIS 35 Ca 0.00 0.66 -0.01 0.00 -0.15 0.00 0.00 55.06 55.56 1rml s HIS 35 Cb 0.00 -3.11 0.11 0.00 1.11 0.00 0.00 32.58 30.70 1rml s HIS 35 CO 0.00 -1.28 0.15 -0.06 -0.85 0.00 0.00 174.74 172.70 1rml s PHE 36 N -3.26 1.36 0.32 1.40 0.40 0.63 -0.63 117.98 118.21 1rml s PHE 36 Ca 0.58 -1.73 -0.14 0.00 -0.60 0.00 0.00 56.93 55.05 1rml s PHE 36 Cb -0.11 -1.48 -0.11 0.00 0.51 0.00 0.00 43.02 41.84 1rml s PHE 36 CO 0.47 -0.84 -0.01 1.28 0.70 0.00 0.00 175.22 176.82 1rml n LEU 37 N 4.48 -2.31 -3.81 -0.37 4.77 -1.26 -3.03 117.00 115.46 1rml n LEU 37 Ca 0.02 0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1rml n LEU 37 Cb 0.39 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 1rml n LEU 37 CO 0.13 -3.19 -0.10 0.00 -1.33 0.00 0.00 177.39 172.90 1rml s ARG 38 N -0.71 0.42 -0.14 3.23 1.70 0.53 -4.70 118.95 119.28 1rml s ARG 38 Ca 0.41 -0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 1rml s ARG 38 Cb -0.41 0.19 0.02 0.00 -0.57 0.00 0.00 34.95 34.18 1rml s ARG 38 CO 0.46 -0.09 -0.12 0.42 -1.08 0.00 0.00 175.30 174.89 1rml s ILE 39 N -0.66 1.43 0.17 4.99 1.09 -1.19 -0.84 121.20 126.18 1rml s ILE 39 Ca -0.08 -0.55 -0.20 0.00 -1.10 0.00 0.00 60.65 58.72 1rml s ILE 39 Cb -0.04 -1.37 -0.08 0.00 -1.06 0.00 0.00 42.46 39.91 1rml s ILE 39 CO 0.02 0.43 0.68 -0.76 -0.10 0.00 0.00 174.94 175.20 1rml s LEU 40 N 1.55 4.44 0.00 2.97 1.43 0.01 -4.59 118.68 124.48 1rml s LEU 40 Ca 0.05 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.58 1rml s LEU 40 Cb -0.13 -3.34 0.22 0.00 0.03 0.00 0.00 46.19 42.97 1rml s LEU 40 CO -0.10 0.13 0.91 -0.81 0.23 0.00 0.00 176.35 176.71 1rml n PRO 41 N 1.14 0.75 -0.01 1.29 -0.04 -1.26 -2.33 135.00 134.54 1rml n PRO 41 Ca -0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 1rml n PRO 41 Cb 0.51 -1.08 -0.12 0.00 -0.04 0.00 0.00 33.50 32.77 1rml n PRO 41 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rml n ASP 42 N -0.58 0.72 0.00 3.54 8.00 -1.26 -4.96 116.55 122.02 1rml n ASP 42 Ca 0.03 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1rml n ASP 42 Cb 0.01 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1rml n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rml n GLY 43 N 1.49 1.49 3.27 0.44 0.00 -0.99 -5.12 105.19 105.77 1rml n GLY 43 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.91 2.26 0.32 2.61 2.01 -1.25 -4.76 115.64 114.92 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 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1rml s THR 44 CO 0.00 0.56 0.22 0.54 -0.69 0.00 0.00 174.62 175.25 1rml s VAL 45 N 0.13 3.47 -0.29 3.82 0.11 -1.26 -0.81 120.40 125.57 1rml s VAL 45 Ca -0.11 -1.50 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1rml s VAL 45 Cb -0.16 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 1rml s VAL 45 CO 0.06 -0.21 0.00 -0.90 -3.33 0.00 0.00 175.10 170.73 1rml n ASP 46 N -1.26 0.00 -4.77 3.54 5.68 -0.02 -4.88 116.55 114.84 1rml n ASP 46 Ca -0.03 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.92 1rml n ASP 46 Cb 0.60 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.51 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 3.12 -0.25 6.12 0.00 -1.26 0.20 107.32 115.24 1rml s GLY 47 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.58 1rml s GLY 47 CO 0.00 -2.21 0.57 -1.59 0.00 0.00 0.00 173.10 169.87 1rml s THR 48 N -2.92 -0.54 0.61 0.90 2.01 -1.17 -4.72 115.64 109.81 1rml s THR 48 Ca 0.01 0.06 0.27 0.00 0.31 0.00 0.00 61.69 62.33 1rml s THR 48 Cb 0.00 -0.86 0.37 0.00 0.01 0.00 0.00 72.50 72.02 1rml s THR 48 CO 0.00 0.02 1.55 -0.09 -0.69 0.00 0.00 174.62 175.42 1rml h ARG 49 N 7.69 0.00 -2.67 4.92 2.43 -1.88 1.87 114.38 126.74 1rml h ARG 49 Ca -0.23 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.82 1rml h ARG 49 Cb 1.14 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 30.42 1rml h ARG 49 CO 0.15 0.00 -0.34 -0.51 -1.51 0.00 0.00 179.97 177.76 1rml s ASP 50 N -4.16 -0.41 -0.21 -3.80 1.01 -1.26 -3.94 116.67 103.91 1rml s ASP 50 Ca -0.03 0.86 -0.32 0.00 0.71 0.00 0.00 52.55 53.76 1rml s ASP 50 Cb 0.14 0.83 -0.09 0.00 1.01 0.00 0.00 42.92 44.80 1rml s ASP 50 CO 0.48 -0.20 2.09 -2.11 0.21 0.00 0.00 175.17 175.63 1rml n ARG 51 N 4.50 1.80 -2.65 8.23 1.85 -1.26 -4.76 116.66 124.37 1rml n ARG 51 Ca -0.20 0.57 -0.04 0.00 -1.00 0.00 0.00 57.85 57.18 1rml n ARG 51 Cb 0.54 -2.79 0.08 0.00 -1.05 0.00 0.00 32.46 29.25 1rml n ARG 51 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1rml n SER 52 N 9.24 -1.01 -1.72 2.89 2.88 -1.26 -5.12 113.62 119.51 1rml n SER 52 Ca 0.31 -1.51 -0.05 0.00 -1.33 0.00 0.00 58.87 56.28 1rml n SER 52 Cb 0.33 0.57 -0.02 0.00 -0.75 0.00 0.00 64.21 64.34 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 1.38 0.16 -0.22 -3.46 2.03 -1.26 -5.04 116.55 110.14 1rml n ASP 53 Ca -0.01 -1.56 0.00 0.00 0.52 0.00 0.00 54.79 53.74 1rml n ASP 53 Cb 0.73 0.38 0.12 0.00 -0.72 0.00 0.00 41.12 41.62 1rml n ASP 53 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1rml h GLN 54 N 0.00 0.52 -0.31 -0.67 7.50 -2.02 -3.41 115.11 116.72 1rml h GLN 54 Ca -0.07 -0.03 0.19 0.00 0.50 0.00 0.00 58.65 59.24 1rml h GLN 54 Cb 0.31 -0.12 -0.19 0.00 0.05 0.00 0.00 27.48 27.53 1rml h GLN 54 CO 0.10 0.35 -0.05 -1.01 -1.50 0.00 0.00 178.83 176.71 1rml s HIS 55 N -6.08 -0.57 -1.65 2.96 3.76 -1.26 -5.01 115.29 107.45 1rml s HIS 55 Ca -0.13 0.30 0.21 0.00 -0.15 0.00 0.00 55.06 55.29 1rml s HIS 55 Cb 0.17 0.10 0.64 0.00 1.11 0.00 0.00 32.58 34.60 1rml s HIS 55 CO 0.75 -0.34 1.54 0.44 -0.85 0.00 0.00 174.74 176.29 1rml n ILE 56 N 4.97 1.23 -1.67 0.60 -0.00 -1.26 -3.17 119.36 120.06 1rml n ILE 56 Ca 0.09 -1.06 -0.46 0.00 -0.00 0.00 0.00 62.75 61.31 1rml n ILE 56 Cb 0.58 0.40 -0.04 0.00 -0.00 0.00 0.00 39.64 40.58 1rml n ILE 56 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1rml n GLN 57 N 1.40 2.10 -4.59 6.28 3.00 -1.26 -4.41 117.38 119.89 1rml n GLN 57 Ca 0.24 0.75 -0.28 0.00 -0.01 0.00 0.00 57.00 57.70 1rml n GLN 57 Cb 0.68 -2.51 -0.08 0.00 0.00 0.00 0.00 30.24 28.34 1rml n GLN 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1rml s LEU 58 N 0.79 2.05 -0.30 1.08 1.43 -1.26 -3.44 118.68 119.04 1rml s LEU 58 Ca 0.78 -1.71 -0.28 0.00 -1.03 0.00 0.00 54.13 51.88 1rml s LEU 58 Cb -0.69 -0.24 0.20 0.00 0.03 0.00 0.00 46.19 45.49 1rml s LEU 58 CO 0.40 -0.96 1.40 -1.58 0.23 0.00 0.00 176.35 175.84 1rml s GLN 59 N -3.73 0.02 0.25 1.70 2.00 -1.06 -4.15 119.66 114.70 1rml s GLN 59 Ca 0.17 0.01 0.10 0.00 -2.00 0.00 0.00 55.36 53.64 1rml s GLN 59 Cb 0.01 0.01 -0.05 0.00 0.80 0.00 0.00 33.01 33.79 1rml s GLN 59 CO 0.11 -0.01 -0.10 -0.51 -0.50 0.00 0.00 175.29 174.29 1rml s LEU 60 N -0.82 2.90 -0.36 3.68 1.43 -1.26 -0.16 118.68 124.10 1rml s LEU 60 Ca 0.09 -0.78 0.14 0.00 -1.03 0.00 0.00 54.13 52.55 1rml s LEU 60 Cb -0.02 -1.46 0.40 0.00 0.03 0.00 0.00 46.19 45.14 1rml s LEU 60 CO -0.10 0.04 0.90 -0.24 0.23 0.00 0.00 176.35 177.18 1rml n SER 61 N -0.58 0.69 -3.98 2.29 2.88 0.74 -4.83 113.62 110.83 1rml n SER 61 Ca -0.07 -2.88 -0.51 0.00 -1.33 0.00 0.00 58.87 54.08 1rml n SER 61 Cb 0.59 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.07 -3.24 -0.42 -1.46 0.00 -1.26 -2.89 120.51 111.31 1rml n ALA 62 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1rml n ALA 62 Cb 0.75 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.28 -0.29 0.00 0.00 0.28 -1.22 -4.81 120.64 115.87 1rml n GLU 63 Ca 0.18 -0.39 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 1rml n GLU 63 Cb 0.09 -0.79 0.00 0.00 1.43 0.00 0.00 31.44 32.17 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 -0.04 0.00 -3.42 -1.84 7.64 -0.91 -5.01 113.62 110.04 1rml n SER 64 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1rml n SER 64 Cb 0.14 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.00 -1.02 0.44 0.24 -1.26 -0.13 118.33 116.60 1rml n VAL 65 Ca 0.00 -0.40 -0.01 0.00 -2.04 0.00 0.00 64.34 61.89 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 2.08 0.24 3.15 7.63 0.00 0.18 -4.86 105.19 113.61 1rml n GLY 66 Ca 0.06 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.41 0.13 0.34 1.61 2.12 0.81 -3.91 118.70 118.40 1rml s GLU 67 Ca 0.00 0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.54 1rml s GLU 67 Cb 0.00 0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.42 1rml s GLU 67 CO 0.00 -0.20 0.06 0.14 -0.54 0.00 0.00 175.26 174.72 1rml s VAL 68 N 2.96 1.18 0.43 3.70 -7.23 -1.06 -2.14 120.40 118.24 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 -0.05 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 1rml s VAL 68 CO -0.17 0.00 0.32 -0.31 -0.31 0.00 0.00 175.10 174.63 1rml s TYR 69 N -3.26 2.53 -0.21 2.82 2.02 -1.14 0.25 117.35 120.36 1rml s TYR 69 Ca 0.35 -0.57 -0.10 0.00 -0.37 0.00 0.00 57.07 56.38 1rml s TYR 69 Cb 0.08 -2.08 0.07 0.00 -0.40 0.00 0.00 41.96 39.64 1rml s TYR 69 CO 0.15 -0.08 0.50 0.42 -1.57 0.00 0.00 175.55 174.97 1rml s ILE 70 N -2.55 -0.21 -0.18 2.71 1.01 -1.26 -0.18 121.20 120.55 1rml s ILE 70 Ca 0.44 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.16 1rml s ILE 70 Cb -0.01 -0.74 0.05 0.00 0.01 0.00 0.00 42.46 41.76 1rml s ILE 70 CO 0.25 0.03 -0.04 -0.75 0.00 0.00 0.00 174.94 174.44 1rml s LYS 71 N 1.79 1.30 -1.10 2.79 2.36 0.78 -1.13 119.74 126.53 1rml s LYS 71 Ca -0.08 -0.54 -0.25 0.00 -2.55 0.00 0.00 55.97 52.56 1rml s LYS 71 Cb -0.08 -2.06 -0.14 0.00 -1.05 0.00 0.00 37.83 34.49 1rml s LYS 71 CO -0.15 -0.48 2.04 0.45 1.55 0.00 0.00 175.35 178.76 1rml s SER 72 N 1.65 4.31 -0.76 1.43 0.15 0.61 -2.55 113.70 118.55 1rml s SER 72 Ca -0.00 -1.20 -0.15 0.00 0.70 0.00 0.00 55.95 55.30 1rml s SER 72 Cb -0.16 -2.59 -0.21 0.00 -1.71 0.00 0.00 66.02 61.35 1rml s SER 72 CO -0.07 -3.79 1.84 0.35 1.20 0.00 0.00 173.24 172.76 1rml n THR 73 N 8.38 0.00 0.00 6.45 -2.24 -1.22 -3.49 114.28 122.15 1rml n THR 73 Ca 0.43 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1rml n THR 73 Cb 0.46 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1rml n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rml n GLU 74 N 5.30 0.00 -2.83 -0.78 -0.58 -1.26 -4.56 120.64 115.93 1rml n GLU 74 Ca 0.51 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.93 1rml n GLU 74 Cb 0.06 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.91 1rml n GLU 74 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1rml n THR 75 N 0.00 4.01 -2.79 2.62 5.66 -1.23 -4.87 114.28 117.67 1rml n THR 75 Ca 0.00 -5.69 -0.15 0.00 -3.05 0.00 0.00 64.05 55.16 1rml n THR 75 Cb 0.00 -1.44 -0.03 0.00 -1.55 0.00 0.00 70.33 67.31 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 -0.20 -0.32 3.51 1.09 0.00 -1.26 -4.78 105.19 103.23 1rml n GLY 76 Ca 0.36 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.48 3.29 0.31 1.61 -0.21 -1.26 -4.90 119.66 114.03 1rml s GLN 77 Ca 0.30 -0.38 -0.17 0.00 0.02 0.00 0.00 55.36 55.13 1rml s GLN 77 Cb -0.18 -4.07 -0.09 0.00 1.00 0.00 0.00 33.01 29.67 1rml s GLN 77 CO 0.37 -1.48 0.77 0.71 -2.12 0.00 0.00 175.29 173.54 1rml s TYR 78 N 3.81 3.44 0.19 0.91 1.51 -1.26 0.23 117.35 126.17 1rml s TYR 78 Ca 0.28 1.33 -0.22 0.00 -1.01 0.00 0.00 57.07 57.44 1rml s TYR 78 Cb -0.14 -2.61 -0.08 0.00 -0.11 0.00 0.00 41.96 39.02 1rml s TYR 78 CO 0.18 0.13 0.74 -1.17 -1.11 0.00 0.00 175.55 174.31 1rml s LEU 79 N -2.75 4.47 0.30 -1.29 1.98 -0.29 -3.29 118.68 117.82 1rml s LEU 79 Ca 0.52 1.51 -0.19 0.00 -2.89 0.00 0.00 54.13 53.09 1rml s LEU 79 Cb -0.12 -3.40 0.06 0.00 0.66 0.00 0.00 46.19 43.39 1rml s LEU 79 CO 0.18 0.13 0.89 0.00 -1.89 0.00 0.00 176.35 175.66 1rml s ALA 80 N -1.32 -1.10 -0.22 5.97 0.00 0.52 -4.37 121.76 121.22 1rml s ALA 80 Ca 0.39 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 1rml s ALA 80 Cb -0.20 0.71 0.10 0.00 0.00 0.00 0.00 23.12 23.74 1rml s ALA 80 CO 0.23 -1.02 0.24 1.41 0.00 0.00 0.00 175.76 176.62 1rml s MET 81 N -2.34 0.22 1.20 0.00 1.75 -1.25 0.50 119.30 119.38 1rml s MET 81 Ca 0.18 0.14 -0.16 0.00 -1.25 0.00 0.00 55.69 54.59 1rml s MET 81 Cb -0.04 -1.06 0.29 0.00 2.84 0.00 0.00 34.83 36.85 1rml s MET 81 CO 0.09 -0.73 1.04 -0.51 -0.65 0.00 0.00 175.02 174.25 1rml s ASP 82 N 2.34 0.81 0.43 1.11 1.01 -1.24 -4.74 116.67 116.39 1rml s ASP 82 Ca 0.08 1.07 0.29 0.00 0.71 0.00 0.00 52.55 54.70 1rml s ASP 82 Cb -0.15 -1.62 1.57 0.00 1.01 0.00 0.00 42.92 43.73 1rml s ASP 82 CO -0.17 -4.24 1.89 0.74 0.21 0.00 0.00 175.17 173.59 1rml h THR 83 N -2.66 0.00 -0.10 -1.27 2.02 -1.94 0.44 112.91 109.40 1rml h THR 83 Ca -0.53 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1rml h THR 83 Cb 1.33 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1rml h THR 83 CO 0.44 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 175.66 1rml n ASP 84 N -2.52 0.72 -1.11 4.18 -0.08 -1.26 -4.85 116.55 111.63 1rml n ASP 84 Ca -0.02 -1.76 -0.13 0.00 -1.51 0.00 0.00 54.79 51.37 1rml n ASP 84 Cb 0.05 -0.07 -0.05 0.00 2.34 0.00 0.00 41.12 43.38 1rml n ASP 84 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rml n GLY 85 N 0.83 1.19 3.43 0.27 0.00 0.15 -3.47 105.19 107.60 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 -3.16 5.21 0.11 0.99 0.20 -1.26 -2.15 118.68 118.62 1rml s LEU 86 Ca 0.00 -1.03 -0.32 0.00 0.69 0.00 0.00 54.13 53.48 1rml s LEU 86 Cb 0.00 -2.32 -0.17 0.00 -0.43 0.00 0.00 46.19 43.26 1rml s LEU 86 CO 0.00 -0.72 0.72 0.18 -0.29 0.00 0.00 176.35 176.24 1rml n LEU 87 N 5.66 -0.68 -3.63 -0.68 4.32 -1.26 -3.60 117.00 117.12 1rml n LEU 87 Ca -0.09 1.09 -0.06 0.00 -0.02 0.00 0.00 56.01 56.92 1rml n LEU 87 Cb 0.45 -0.89 -0.02 0.00 -1.62 0.00 0.00 43.42 41.34 1rml n LEU 87 CO 0.49 -2.40 0.66 -0.72 -1.22 0.00 0.00 177.39 174.21 1rml s TYR 88 N -0.54 -0.26 0.28 -1.77 1.13 0.18 -4.35 117.35 112.03 1rml s TYR 88 Ca 0.72 0.02 0.11 0.00 -1.41 0.00 0.00 57.07 56.51 1rml s TYR 88 Cb -1.02 0.60 -0.05 0.00 -1.10 0.00 0.00 41.96 40.38 1rml s TYR 88 CO 0.54 -0.74 -0.18 0.20 -2.51 0.00 0.00 175.55 172.85 1rml s GLY 89 N -2.74 1.91 0.20 5.49 0.00 -1.21 0.19 107.32 111.16 1rml s GLY 89 Ca 0.08 -1.90 -0.22 0.00 0.00 0.00 0.00 44.72 42.68 1rml s GLY 89 CO -0.03 -1.97 0.65 -0.45 0.00 0.00 0.00 173.10 171.29 1rml s SER 90 N -3.51 -0.46 -0.27 1.64 0.15 -1.24 -4.93 113.70 105.07 1rml s SER 90 Ca 0.30 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.73 1rml s SER 90 Cb -0.04 0.64 0.20 0.00 -1.71 0.00 0.00 66.02 65.12 1rml s SER 90 CO 0.15 -1.10 1.94 1.67 1.20 0.00 0.00 173.24 177.09 1rml n GLN 91 N -0.41 1.69 -3.54 5.44 7.27 -1.26 -4.48 117.38 122.10 1rml n GLN 91 Ca -0.12 -1.37 -0.29 0.00 0.07 0.00 0.00 57.00 55.28 1rml n GLN 91 Cb 0.63 -1.54 -0.12 0.00 2.41 0.00 0.00 30.24 31.62 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 -1.95 0.54 -0.63 1.69 -4.23 -1.26 -5.08 115.64 104.71 1rml s THR 92 Ca 0.27 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.49 1rml s THR 92 Cb 0.21 -1.39 0.01 0.00 1.34 0.00 0.00 72.50 72.67 1rml s THR 92 CO 0.00 -0.97 1.55 -2.16 -0.54 0.00 0.00 174.62 172.49 1rml s PRO 93 N 0.79 3.02 0.00 3.99 0.04 -1.26 -4.15 135.00 137.42 1rml s PRO 93 Ca 0.19 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1rml s PRO 93 Cb -0.22 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1rml s PRO 93 CO -0.00 -2.30 0.00 0.09 0.04 0.00 0.00 177.00 174.82 1rml n ASN 94 N 10.71 0.00 -0.32 6.66 3.02 -1.26 -4.96 115.26 129.10 1rml n ASN 94 Ca 0.12 -0.40 0.28 0.00 -0.03 0.00 0.00 54.58 54.55 1rml n ASN 94 Cb 0.50 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.21 1rml n ASN 94 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1rml h GLU 95 N 0.00 0.10 0.18 3.52 5.08 -1.91 1.40 114.58 122.94 1rml h GLU 95 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1rml h GLU 95 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1rml h GLU 95 CO 0.00 0.06 -0.09 1.49 -1.00 0.00 0.00 179.01 179.48 1rml h GLU 96 N 0.10 -0.23 -0.87 2.33 4.81 -1.91 -3.01 114.58 115.80 1rml h GLU 96 Ca 0.80 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 60.16 1rml h GLU 96 Cb 2.01 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 31.36 1rml h GLU 96 CO -0.73 -0.15 0.50 0.00 -0.73 0.00 0.00 179.01 177.90 1rml n LEU 98 N -4.76 -2.46 -3.34 0.00 7.99 0.46 -4.35 117.00 110.55 1rml n LEU 98 Ca 0.16 0.04 -0.12 0.00 -0.01 0.00 0.00 56.01 56.07 1rml n LEU 98 Cb 0.35 -0.89 -0.07 0.00 -0.11 0.00 0.00 43.42 42.69 1rml n LEU 98 CO 0.25 -3.44 -0.11 -0.36 -1.51 0.00 0.00 177.39 172.22 1rml s PHE 99 N -2.19 -0.78 -0.99 -1.77 0.08 0.14 -4.31 117.98 108.15 1rml s PHE 99 Ca 0.50 0.09 -0.29 0.00 0.12 0.00 0.00 56.93 57.35 1rml s PHE 99 Cb -0.10 -0.28 -0.23 0.00 -0.57 0.00 0.00 43.02 41.84 1rml s PHE 99 CO 0.68 -0.96 2.63 1.28 -0.10 0.00 0.00 175.22 178.75 1rml n LEU 100 N 5.29 0.11 -4.95 -0.37 4.77 -0.95 -2.57 117.00 118.34 1rml n LEU 100 Ca 0.00 0.11 -0.23 0.00 -0.03 0.00 0.00 56.01 55.86 1rml n LEU 100 Cb 0.48 -0.88 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1rml n LEU 100 CO -0.01 -0.79 0.17 -0.70 -1.33 0.00 0.00 177.39 174.74 1rml s GLU 101 N 8.74 3.33 -0.30 3.23 2.12 -1.25 -0.54 118.70 134.02 1rml s GLU 101 Ca 1.35 -0.49 -0.14 0.00 0.36 0.00 0.00 54.97 56.05 1rml s GLU 101 Cb -1.21 -2.67 0.19 0.00 0.26 0.00 0.00 34.13 30.70 1rml s GLU 101 CO 0.49 0.05 1.15 -0.98 -0.54 0.00 0.00 175.26 175.44 1rml s ARG 102 N -4.34 0.02 -0.01 4.30 3.03 -1.16 -0.65 118.95 120.15 1rml s ARG 102 Ca 0.42 -0.00 -0.00 0.00 2.03 0.00 0.00 55.73 58.17 1rml s ARG 102 Cb -0.10 0.00 -0.00 0.00 -1.03 0.00 0.00 34.95 33.82 1rml s ARG 102 CO 0.35 -0.03 0.03 -0.11 -1.13 0.00 0.00 175.30 174.41 1rml n LEU 103 N 3.70 0.00 -0.19 -1.89 0.00 -1.26 -4.70 117.00 112.67 1rml n LEU 103 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.97 1rml n LEU 103 Cb 0.64 -0.01 0.02 0.00 0.00 0.00 0.00 43.42 44.08 1rml n LEU 103 CO -0.15 -0.01 0.77 -0.08 0.00 0.00 0.00 177.39 177.92 1rml h GLU 104 N 0.12 1.04 0.00 1.96 4.22 -1.86 -3.45 114.58 116.60 1rml h GLU 104 Ca -0.00 -0.37 0.00 0.00 0.08 0.00 0.00 59.36 59.07 1rml h GLU 104 Cb 0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1rml h GLU 104 CO 0.01 1.06 0.00 0.39 -2.18 0.00 0.00 179.01 178.29 1rml n GLU 105 N -4.15 0.00 -2.67 1.92 -0.58 -1.26 -5.07 120.64 108.83 1rml n GLU 105 Ca 0.02 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.70 1rml n GLU 105 Cb 0.39 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.34 1rml n GLU 105 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1rml n ASN 106 N 0.00 -1.64 0.01 1.62 2.85 -1.26 -4.97 115.26 111.86 1rml n ASN 106 Ca 0.00 -2.20 0.00 0.00 -0.11 0.00 0.00 54.58 52.27 1rml n ASN 106 Cb 0.00 0.98 0.00 0.00 1.24 0.00 0.00 39.78 42.00 1rml n ASN 106 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1rml n HIS 107 N -0.62 -0.82 -0.02 1.20 8.25 -1.26 -5.15 115.22 116.81 1rml n HIS 107 Ca -0.10 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1rml n HIS 107 Cb 0.79 0.25 0.00 0.00 1.12 0.00 0.00 29.99 32.15 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 -2.23 -0.66 -2.61 4.41 4.01 -1.26 -4.74 117.16 114.08 1rml n TYR 108 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1rml n TYR 108 Cb 0.00 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.14 -0.95 -4.24 7.72 4.13 -1.15 -4.71 115.26 115.92 1rml n ASN 109 Ca 0.00 -1.78 -0.38 0.00 1.68 0.00 0.00 54.58 54.10 1rml n ASN 109 Cb 0.00 0.45 0.03 0.00 -1.54 0.00 0.00 39.78 38.72 1rml n ASN 109 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1rml n THR 110 N -0.98 0.47 -4.35 3.41 -2.24 -1.26 -4.64 114.28 104.68 1rml n THR 110 Ca -0.11 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 1rml n THR 110 Cb 0.74 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 1rml n THR 110 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rml n TYR 111 N -1.95 -0.28 -3.68 4.78 4.02 -1.26 -2.98 117.16 115.82 1rml n TYR 111 Ca 0.06 -2.41 -0.10 0.00 -0.01 0.00 0.00 57.90 55.44 1rml n TYR 111 Cb 0.50 0.12 -0.11 0.00 -0.02 0.00 0.00 39.34 39.83 1rml n TYR 111 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1rml s ILE 112 N -3.06 -0.31 -0.52 -0.72 1.01 0.30 -2.42 121.20 115.48 1rml s ILE 112 Ca 0.27 0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.89 1rml s ILE 112 Cb 0.01 -0.60 -0.12 0.00 0.01 0.00 0.00 42.46 41.76 1rml s ILE 112 CO 0.19 0.06 1.45 -0.24 0.00 0.00 0.00 174.94 176.40 1rml n SER 113 N 4.82 0.18 0.19 3.58 2.88 0.12 -2.24 113.62 123.15 1rml n SER 113 Ca -0.16 0.13 0.03 0.00 -1.33 0.00 0.00 58.87 57.54 1rml n SER 113 Cb 0.52 -0.50 0.36 0.00 -0.75 0.00 0.00 64.21 63.84 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 6.42 0.00 0.00 -1.46 3.11 -1.77 1.51 116.57 124.38 1rml h LYS 114 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1rml h LYS 114 Cb 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1rml h LYS 114 CO 0.75 0.38 0.00 1.17 -2.81 0.00 0.00 179.45 178.94 1rml n LYS 115 N -3.94 0.05 -2.66 1.90 0.00 -1.23 -3.85 118.16 108.42 1rml n LYS 115 Ca -0.02 0.42 -0.04 0.00 0.00 0.00 0.00 58.31 58.68 1rml n LYS 115 Cb 0.43 -1.62 0.10 0.00 0.00 0.00 0.00 35.03 33.94 1rml n LYS 115 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1rml n HIS 116 N -1.72 -0.45 1.15 5.64 1.44 -0.54 -4.98 115.22 115.76 1rml n HIS 116 Ca 0.01 -0.72 0.13 0.00 -2.01 0.00 0.00 57.72 55.13 1rml n HIS 116 Cb 0.10 1.15 0.64 0.00 0.12 0.00 0.00 29.99 32.00 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 0.84 2.31 0.16 1.59 0.00 0.51 -3.16 120.51 122.76 1rml n ALA 117 Ca -0.03 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.40 1rml n ALA 117 Cb 0.74 -1.44 0.56 0.00 0.00 0.00 0.00 19.45 19.32 1rml n ALA 117 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rml n GLU 118 N -1.37 0.13 -0.09 0.00 0.28 -1.26 0.87 120.64 119.20 1rml n GLU 118 Ca 0.10 0.63 0.05 0.00 -0.16 0.00 0.00 57.16 57.79 1rml n GLU 118 Cb 0.25 -1.95 0.10 0.00 1.43 0.00 0.00 31.44 31.27 1rml n GLU 118 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1rml n LYS 119 N -2.23 1.81 -3.10 3.44 4.81 -1.19 -4.96 118.16 116.74 1rml n LYS 119 Ca -0.01 -1.63 -0.22 0.00 -0.87 0.00 0.00 58.31 55.57 1rml n LYS 119 Cb 0.04 -1.23 0.02 0.00 0.02 0.00 0.00 35.03 33.88 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 0.53 -5.22 -4.29 3.14 5.03 0.25 -4.77 115.26 109.93 1rml n ASN 120 Ca 0.09 -0.30 -0.29 0.00 0.87 0.00 0.00 54.58 54.95 1rml n ASN 120 Cb 0.35 -4.25 -0.08 0.00 -1.02 0.00 0.00 39.78 34.78 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 -4.26 1.80 -0.63 3.10 8.01 -1.25 -4.19 117.44 120.02 1rml n TRP 121 Ca -0.08 -1.07 -0.31 0.00 -1.31 0.00 0.00 57.50 54.72 1rml n TRP 121 Cb 0.60 -2.25 0.19 0.00 -2.01 0.00 0.00 31.31 27.83 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 14.11 -0.96 -3.57 -5.99 3.01 0.21 0.13 117.46 124.41 1rml n PHE 122 Ca 0.45 0.10 -0.39 0.00 1.01 0.00 0.00 57.45 58.62 1rml n PHE 122 Cb 0.45 -1.73 -0.05 0.00 -0.01 0.00 0.00 39.48 38.14 1rml n PHE 122 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1rml s VAL 123 N -2.40 4.68 -0.20 -4.37 0.11 -1.02 -4.62 120.40 112.58 1rml s VAL 123 Ca 0.63 -3.50 -0.10 0.00 -2.93 0.00 0.00 61.98 56.08 1rml s VAL 123 Cb -0.20 -3.90 0.07 0.00 -1.53 0.00 0.00 36.38 30.82 1rml s VAL 123 CO 0.65 -1.07 0.47 -0.83 -3.33 0.00 0.00 175.10 170.99 1rml s GLY 124 N 0.49 -0.40 -0.07 6.54 0.00 -1.26 -4.04 107.32 108.58 1rml s GLY 124 Ca 0.25 1.70 -0.30 0.00 0.00 0.00 0.00 44.72 46.38 1rml s GLY 124 CO -0.10 2.02 1.12 1.08 0.00 0.00 0.00 173.10 177.22 1rml s LEU 125 N 1.77 4.27 -0.03 0.66 1.02 -1.26 -4.68 118.68 120.43 1rml s LEU 125 Ca -0.08 1.71 -0.05 0.00 0.02 0.00 0.00 54.13 55.73 1rml s LEU 125 Cb -0.09 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.54 1rml s LEU 125 CO -0.14 -0.52 0.15 1.17 0.02 0.00 0.00 176.35 177.03 1rml n LYS 126 N 5.03 0.00 -0.39 1.70 4.81 -0.69 -4.41 118.16 124.21 1rml n LYS 126 Ca 0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.43 1rml n LYS 126 Cb 0.47 -0.16 -0.01 0.00 0.02 0.00 0.00 35.03 35.35 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 0.31 1.09 0.00 1.64 -0.00 -1.26 -2.11 118.16 117.84 1rml n LYS 127 Ca 0.03 -0.96 0.00 0.00 -0.00 0.00 0.00 58.31 57.38 1rml n LYS 127 Cb 0.00 -2.19 0.00 0.00 -0.00 0.00 0.00 35.03 32.84 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 4.42 0.00 0.00 -5.58 2.85 -1.26 -5.05 115.26 110.63 1rml n ASN 128 Ca 0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1rml n ASN 128 Cb 0.09 0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.30 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 -0.20 -0.22 0.00 8.20 0.00 -0.89 -4.83 105.19 107.24 1rml n GLY 129 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.34 1.61 7.64 -1.25 -4.99 113.62 113.29 1rml n SER 130 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1rml n SER 130 Cb 0.00 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.35 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 -3.55 0.67 0.74 0.00 2.47 -1.26 -4.38 119.74 114.43 1rml s LYS 132 Ca 0.35 -0.04 -0.12 0.00 -1.56 0.00 0.00 55.97 54.59 1rml s LYS 132 Cb -0.06 0.30 0.04 0.00 -1.46 0.00 0.00 37.83 36.65 1rml s LYS 132 CO 0.29 -0.18 1.10 0.50 0.16 0.00 0.00 175.35 177.23 1rml s ARG 133 N -1.08 2.38 0.16 4.03 3.52 -1.26 -4.71 118.95 121.98 1rml s ARG 133 Ca -0.11 1.28 -0.21 0.00 -0.13 0.00 0.00 55.73 56.56 1rml s ARG 133 Cb -0.04 -1.91 0.07 0.00 -1.56 0.00 0.00 34.95 31.51 1rml s ARG 133 CO 0.04 -1.56 1.30 0.41 -0.81 0.00 0.00 175.30 174.68 1rml n GLY 134 N -0.86 -1.96 2.45 8.12 0.00 -0.91 -0.89 105.19 111.14 1rml n GLY 134 Ca 0.10 0.97 -0.28 0.00 0.00 0.00 0.00 46.02 46.81 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 -5.14 2.67 0.00 1.61 -0.04 -1.26 -2.90 135.00 129.94 1rml n PRO 135 Ca 0.05 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 1rml n PRO 135 Cb 0.27 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 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 3.83 0.00 -3.25 0.54 1.74 -0.07 -5.12 116.66 114.33 1rml n ARG 136 Ca 0.57 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.60 1rml n ARG 136 Cb 0.22 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.62 1rml n ARG 136 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1rml s THR 137 N 0.00 -0.75 0.00 0.55 -1.32 -1.14 -4.58 115.64 108.40 1rml s THR 137 Ca 0.00 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1rml s THR 137 Cb 0.00 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 1rml s THR 137 CO 0.00 -0.20 0.00 1.41 -2.21 0.00 0.00 174.62 173.62 1rml n HIS 138 N 5.26 0.00 -0.01 9.09 8.25 -1.26 0.66 115.22 137.21 1rml n HIS 138 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1rml n HIS 138 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1rml n HIS 138 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1rml n TYR 139 N 0.00 -0.68 -1.81 4.41 4.01 -1.26 -3.89 117.16 117.94 1rml n TYR 139 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1rml n TYR 139 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1rml n TYR 139 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rml n GLY 140 N 1.93 -0.29 2.92 2.72 0.00 -1.26 -4.78 105.19 106.43 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 1.62 0.00 0.00 0.00 173.32 174.94 1rml s GLN 141 N -3.56 2.52 0.47 1.61 2.00 -1.25 -4.91 119.66 116.53 1rml s GLN 141 Ca 0.00 -3.31 0.21 0.00 -2.00 0.00 0.00 55.36 50.26 1rml s GLN 141 Cb 0.00 -3.47 0.73 0.00 0.80 0.00 0.00 33.01 31.07 1rml s GLN 141 CO 0.00 -1.28 1.01 1.63 -0.50 0.00 0.00 175.29 176.15 1rml n LYS 142 N 2.05 0.01 -0.09 1.67 4.01 -1.26 0.43 118.16 124.97 1rml n LYS 142 Ca 0.19 0.79 0.08 0.00 -0.51 0.00 0.00 58.31 58.86 1rml n LYS 142 Cb 0.35 -1.95 0.43 0.00 -0.51 0.00 0.00 35.03 33.35 1rml n LYS 142 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rml h ALA 143 N 0.42 1.82 -0.05 7.82 0.00 -1.90 0.13 119.26 127.51 1rml h ALA 143 Ca 0.40 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 1rml h ALA 143 Cb 2.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1rml h ALA 143 CO -0.00 0.08 -0.67 -0.84 0.00 0.00 0.00 179.25 177.82 1rml h ILE 144 N 0.57 1.42 -0.35 0.00 3.07 0.85 -3.39 117.51 119.68 1rml h ILE 144 Ca 0.26 -2.15 -0.36 0.00 1.55 0.00 0.00 64.86 64.16 1rml h ILE 144 Cb 0.28 2.13 -0.02 0.00 -0.27 0.00 0.00 36.82 38.94 1rml h ILE 144 CO -0.07 0.63 1.17 -0.11 -1.05 0.00 0.00 178.15 178.72 1rml n LEU 145 N -3.81 3.02 -4.72 0.16 7.94 0.44 -4.09 117.00 115.94 1rml n LEU 145 Ca -0.02 -3.04 -0.37 0.00 -1.11 0.00 0.00 56.01 51.47 1rml n LEU 145 Cb 0.66 -1.62 -0.07 0.00 0.53 0.00 0.00 43.42 42.93 1rml n LEU 145 CO 0.45 -1.78 0.05 -0.36 -1.11 0.00 0.00 177.39 174.64 1rml s PHE 146 N 10.62 3.46 -0.11 1.96 0.08 -1.26 0.19 117.98 132.93 1rml s PHE 146 Ca 0.68 0.68 0.04 0.00 0.12 0.00 0.00 56.93 58.45 1rml s PHE 146 Cb 0.02 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 1rml s PHE 146 CO 0.14 0.18 -0.23 -1.17 -0.10 0.00 0.00 175.22 174.05 1rml s LEU 147 N 0.62 2.07 0.01 -0.37 2.96 0.24 -2.92 118.68 121.30 1rml s LEU 147 Ca 0.20 -0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 1rml s LEU 147 Cb -0.14 -1.39 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 1rml s LEU 147 CO 0.06 0.13 1.19 -2.16 -1.32 0.00 0.00 176.35 174.25 1rml s PRO 148 N 0.47 4.41 -0.43 0.98 0.04 -1.26 -1.32 135.00 137.89 1rml s PRO 148 Ca -0.16 1.71 0.10 0.00 0.04 0.00 0.00 61.00 62.69 1rml s PRO 148 Cb -0.17 -3.44 0.39 0.00 0.04 0.00 0.00 34.50 31.32 1rml s PRO 148 CO 0.06 -0.32 0.93 1.47 0.04 0.00 0.00 177.00 179.18 1rml n LEU 149 N 4.44 2.84 0.00 -3.56 -0.00 -1.17 -4.97 117.00 114.58 1rml n LEU 149 Ca 0.10 -4.91 0.00 0.00 -0.00 0.00 0.00 56.01 51.20 1rml n LEU 149 Cb 0.47 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1rml n LEU 149 CO 0.55 2.11 0.00 -0.81 -0.00 0.00 0.00 177.39 179.24 1rml n PRO 150 N -0.12 -0.26 -1.85 1.47 -0.04 -1.26 -4.20 135.00 128.73 1rml n PRO 150 Ca 0.26 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 1rml n PRO 150 Cb 0.63 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.13 1rml n PRO 150 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1rml n VAL 151 N -1.93 0.00 -1.60 0.52 0.24 0.16 -4.90 118.33 110.81 1rml n VAL 151 Ca 0.00 -0.31 -0.15 0.00 -2.04 0.00 0.00 64.34 61.84 1rml n VAL 151 Cb 0.00 0.65 -0.10 0.00 -1.47 0.00 0.00 33.84 32.92 1rml n VAL 151 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1rml s SER 152 N -0.36 3.54 -0.57 -1.34 0.01 -1.23 -4.73 113.70 109.03 1rml s SER 152 Ca 0.03 -0.73 0.06 0.00 1.31 0.00 0.00 55.95 56.62 1rml s SER 152 Cb 0.14 -2.59 0.21 0.00 0.21 0.00 0.00 66.02 64.00 1rml s SER 152 CO -0.04 -4.55 0.57 -1.20 0.41 0.00 0.00 173.24 168.43 1rml n SER 153 N 19.44 2.16 0.00 2.44 7.64 -1.26 -5.15 113.62 138.89 1rml n SER 153 Ca 0.43 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1rml n SER 153 Cb 0.46 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1rml n SER 153 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36