#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 -0.21 -1.77 1.97 0.13 -1.93 -3.40 132.00 126.79 1rml h PRO 25 Ca 0.00 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1rml h PRO 25 Cb 0.00 0.05 -0.22 0.00 0.13 0.00 0.00 31.00 30.96 1rml h PRO 25 CO 0.00 0.12 0.36 0.21 -0.23 0.00 0.00 178.00 178.46 1rml s LYS 26 N -2.86 0.74 -0.15 0.86 2.36 -1.26 -2.34 119.74 117.10 1rml s LYS 26 Ca -0.09 0.43 -0.06 0.00 -2.55 0.00 0.00 55.97 53.70 1rml s LYS 26 Cb 0.00 0.36 0.07 0.00 -1.05 0.00 0.00 37.83 37.20 1rml s LYS 26 CO 0.34 -0.18 0.31 -0.48 1.55 0.00 0.00 175.35 176.88 1rml s LEU 27 N -0.57 -0.27 0.64 5.43 0.05 -1.26 -2.95 118.68 119.75 1rml s LEU 27 Ca -0.03 0.70 -0.16 0.00 0.05 0.00 0.00 54.13 54.70 1rml s LEU 27 Cb -0.02 0.91 -0.01 0.00 -2.05 0.00 0.00 46.19 45.02 1rml s LEU 27 CO 0.02 -0.22 1.11 -0.76 -0.55 0.00 0.00 176.35 175.94 1rml s LEU 28 N 2.23 3.44 -0.07 1.48 1.43 -1.26 -3.18 118.68 122.75 1rml s LEU 28 Ca -0.02 2.00 -0.03 0.00 -1.03 0.00 0.00 54.13 55.06 1rml s LEU 28 Cb -0.11 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.59 1rml s LEU 28 CO -0.10 -1.54 0.13 -0.47 0.23 0.00 0.00 176.35 174.60 1rml s TYR 29 N -2.29 -0.13 0.37 0.29 5.04 -0.46 -4.41 117.35 115.76 1rml s TYR 29 Ca 0.67 0.49 -0.26 0.00 -2.44 0.00 0.00 57.07 55.53 1rml s TYR 29 Cb -0.20 -0.21 -0.09 0.00 0.35 0.00 0.00 41.96 41.80 1rml s TYR 29 CO 0.39 -0.21 1.18 0.00 -1.34 0.00 0.00 175.55 175.57 1rml n SER 31 N 0.38 0.00 0.05 0.00 2.88 0.11 -2.89 113.62 114.15 1rml n SER 31 Ca 0.03 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.44 1rml n SER 31 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.83 1rml n SER 31 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1rml h ASN 32 N 0.00 -0.14 -0.79 -3.46 -1.24 -1.86 -3.13 115.58 104.96 1rml h ASN 32 Ca 0.00 -0.37 0.33 0.00 0.71 0.00 0.00 56.30 56.96 1rml h ASN 32 Cb 0.00 0.04 -0.14 0.00 0.73 0.00 0.00 38.32 38.94 1rml h ASN 32 CO 0.00 0.34 0.40 0.61 -1.29 0.00 0.00 177.43 177.49 1rml n GLY 33 N 0.19 -0.63 2.67 1.57 0.00 -0.66 -4.68 105.19 103.64 1rml n GLY 33 Ca -0.09 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.22 0.18 3.93 -0.02 0.00 -1.14 -4.80 105.19 102.11 1rml n GLY 34 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.35 3.39 -0.27 1.61 3.76 -1.26 -4.14 115.29 117.03 1rml s HIS 35 Ca 0.00 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 1rml s HIS 35 Cb 0.00 -2.35 0.08 0.00 1.11 0.00 0.00 32.58 31.42 1rml s HIS 35 CO 0.00 -0.37 0.02 -0.06 -0.85 0.00 0.00 174.74 173.48 1rml s PHE 36 N -2.69 2.25 0.26 1.40 0.40 0.62 -0.34 117.98 119.88 1rml s PHE 36 Ca 0.48 -1.85 -0.26 0.00 -0.60 0.00 0.00 56.93 54.70 1rml s PHE 36 Cb -0.10 -1.77 -0.16 0.00 0.51 0.00 0.00 43.02 41.49 1rml s PHE 36 CO 0.42 -0.81 0.49 1.28 0.70 0.00 0.00 175.22 177.29 1rml n LEU 37 N 4.70 -1.20 -3.95 -0.37 4.77 -1.26 -2.96 117.00 116.72 1rml n LEU 37 Ca -0.06 1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.88 1rml n LEU 37 Cb 0.43 -0.98 -0.12 0.00 -2.33 0.00 0.00 43.42 40.43 1rml n LEU 37 CO 0.16 -3.06 -0.36 0.00 -1.33 0.00 0.00 177.39 172.79 1rml s ARG 38 N -1.09 0.23 0.06 3.23 1.70 -0.27 -4.66 118.95 118.16 1rml s ARG 38 Ca 0.63 -0.44 0.04 0.00 -0.47 0.00 0.00 55.73 55.48 1rml s ARG 38 Cb -0.84 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 33.59 1rml s ARG 38 CO 0.58 -0.04 -0.13 -1.50 -1.08 0.00 0.00 175.30 173.14 1rml s ILE 39 N -1.06 0.96 0.02 4.99 -1.16 -1.21 -1.76 121.20 121.98 1rml s ILE 39 Ca -0.12 -1.23 0.03 0.00 -0.51 0.00 0.00 60.65 58.82 1rml s ILE 39 Cb -0.07 -0.95 -0.04 0.00 0.61 0.00 0.00 42.46 42.01 1rml s ILE 39 CO -0.01 -0.25 -0.03 -0.76 -2.81 0.00 0.00 174.94 171.08 1rml s LEU 40 N -1.67 3.36 0.00 8.50 2.01 -0.47 -4.49 118.68 125.93 1rml s LEU 40 Ca -0.04 -0.10 0.18 0.00 0.01 0.00 0.00 54.13 54.17 1rml s LEU 40 Cb -0.10 -1.97 1.05 0.00 0.01 0.00 0.00 46.19 45.18 1rml s LEU 40 CO 0.02 0.26 1.52 -0.81 1.01 0.00 0.00 176.35 178.34 1rml n PRO 41 N 1.28 0.75 -0.08 1.29 -0.04 -1.26 -2.96 135.00 133.98 1rml n PRO 41 Ca -0.14 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.10 1rml n PRO 41 Cb 0.52 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 1rml n PRO 41 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1rml h ASP 42 N 0.00 0.08 0.00 3.54 1.82 -2.00 -3.49 116.42 116.37 1rml h ASP 42 Ca 0.00 -0.60 0.00 0.00 -0.39 0.00 0.00 57.03 56.04 1rml h ASP 42 Cb 0.00 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1rml h ASP 42 CO 0.00 1.55 0.00 0.61 -1.61 0.00 0.00 179.24 179.79 1rml n GLY 43 N 1.54 0.00 3.27 -0.78 0.00 -1.16 -5.13 105.19 102.93 1rml n GLY 43 Ca -0.31 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 0.03 0.17 2.61 2.01 -1.25 -4.79 115.64 114.42 1rml s THR 44 Ca 0.00 -1.83 -0.08 0.00 0.31 0.00 0.00 61.69 60.10 1rml s THR 44 Cb 0.00 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1rml s THR 44 CO 0.00 -0.12 0.26 -0.69 -0.69 0.00 0.00 174.62 173.38 1rml s VAL 45 N -4.10 0.06 -0.34 3.82 1.01 -1.26 -1.37 120.40 118.23 1rml s VAL 45 Ca 0.31 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1rml s VAL 45 Cb 0.05 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1rml s VAL 45 CO 0.08 -0.26 0.00 -0.90 0.00 0.00 0.00 175.10 174.02 1rml n ASP 46 N -0.22 0.00 -4.29 3.32 5.68 -0.72 -4.92 116.55 115.40 1rml n ASP 46 Ca -0.06 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.08 1rml n ASP 46 Cb 0.63 0.00 -0.10 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 1.21 -0.04 6.12 0.00 -1.26 -1.12 107.32 112.23 1rml s GLY 47 Ca 0.00 -1.56 -0.02 0.00 0.00 0.00 0.00 44.72 43.14 1rml s GLY 47 CO 0.00 -1.65 0.07 -1.59 0.00 0.00 0.00 173.10 169.93 1rml s THR 48 N -3.21 -0.12 0.66 0.90 2.01 -1.16 -4.67 115.64 110.05 1rml s THR 48 Ca 0.19 0.36 0.26 0.00 0.31 0.00 0.00 61.69 62.82 1rml s THR 48 Cb 0.02 -0.16 0.27 0.00 0.01 0.00 0.00 72.50 72.64 1rml s THR 48 CO 0.03 0.15 1.80 -0.09 -0.69 0.00 0.00 174.62 175.82 1rml h ARG 49 N 8.12 0.00 -2.63 4.92 1.12 -1.90 1.82 114.38 125.84 1rml h ARG 49 Ca -0.21 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.54 1rml h ARG 49 Cb 1.12 0.00 -0.27 0.00 -0.01 0.00 0.00 29.97 30.81 1rml h ARG 49 CO 0.23 0.00 -0.32 -0.51 -3.11 0.00 0.00 179.97 176.26 1rml s ASP 50 N -4.34 -0.43 -0.25 -3.80 1.11 -1.26 -4.06 116.67 103.65 1rml s ASP 50 Ca -0.03 0.90 -0.32 0.00 0.18 0.00 0.00 52.55 53.28 1rml s ASP 50 Cb 0.08 0.89 -0.09 0.00 1.07 0.00 0.00 42.92 44.87 1rml s ASP 50 CO 0.27 -0.20 2.16 -2.11 1.18 0.00 0.00 175.17 176.47 1rml n ARG 51 N 4.54 1.66 0.00 8.23 1.85 -1.26 -4.74 116.66 126.93 1rml n ARG 51 Ca -0.20 0.48 0.00 0.00 -1.00 0.00 0.00 57.85 57.14 1rml n ARG 51 Cb 0.54 -2.84 0.00 0.00 -1.05 0.00 0.00 32.46 29.10 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 10.21 0.00 -1.85 2.89 2.88 -1.26 -5.13 113.62 121.36 1rml n SER 52 Ca 0.33 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.81 1rml n SER 52 Cb 0.34 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.08 -0.23 -3.46 2.03 -1.26 -5.04 116.55 108.67 1rml n ASP 53 Ca 0.00 -1.71 0.02 0.00 0.52 0.00 0.00 54.79 53.62 1rml n ASP 53 Cb 0.00 0.49 0.14 0.00 -0.72 0.00 0.00 41.12 41.03 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 0.41 -0.21 -0.67 7.50 -2.02 -3.41 115.11 116.71 1rml h GLN 54 Ca -0.08 -0.02 0.19 0.00 0.50 0.00 0.00 58.65 59.24 1rml h GLN 54 Cb 0.39 -0.09 -0.18 0.00 0.05 0.00 0.00 27.48 27.65 1rml h GLN 54 CO 0.12 0.27 -0.03 -1.01 -1.50 0.00 0.00 178.83 176.68 1rml s HIS 55 N -6.06 -0.38 -1.80 2.96 3.76 -1.26 -5.01 115.29 107.50 1rml s HIS 55 Ca -0.13 0.17 0.21 0.00 -0.15 0.00 0.00 55.06 55.16 1rml s HIS 55 Cb 0.19 0.07 0.65 0.00 1.11 0.00 0.00 32.58 34.60 1rml s HIS 55 CO 0.75 -0.23 1.55 0.44 -0.85 0.00 0.00 174.74 176.40 1rml n ILE 56 N 4.60 1.16 -1.71 0.60 -0.00 -1.26 -3.33 119.36 119.43 1rml n ILE 56 Ca 0.08 -1.01 -0.43 0.00 -0.00 0.00 0.00 62.75 61.40 1rml n ILE 56 Cb 0.60 0.39 -0.02 0.00 -0.00 0.00 0.00 39.64 40.61 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 1.48 2.39 -4.44 6.28 3.00 -1.26 -4.46 117.38 120.37 1rml n GLN 57 Ca 0.24 0.85 -0.23 0.00 -0.01 0.00 0.00 57.00 57.86 1rml n GLN 57 Cb 0.67 -2.58 -0.09 0.00 0.00 0.00 0.00 30.24 28.25 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 -0.18 1.91 -0.30 1.08 1.43 -1.15 -4.31 118.68 117.15 1rml s LEU 58 Ca 0.66 -1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 51.99 1rml s LEU 58 Cb -0.57 -0.02 0.21 0.00 0.03 0.00 0.00 46.19 45.84 1rml s LEU 58 CO 0.49 -0.88 1.28 -1.58 0.23 0.00 0.00 176.35 175.89 1rml s GLN 59 N -3.76 0.05 0.43 1.70 0.74 -0.79 -4.42 119.66 113.61 1rml s GLN 59 Ca 0.30 0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.76 1rml s GLN 59 Cb 0.04 0.01 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 1rml s GLN 59 CO 0.16 -0.01 0.68 -0.51 -0.55 0.00 0.00 175.29 175.06 1rml s LEU 60 N 0.93 3.77 -0.37 3.68 1.02 -1.26 0.22 118.68 126.68 1rml s LEU 60 Ca -0.06 0.64 0.13 0.00 0.02 0.00 0.00 54.13 54.85 1rml s LEU 60 Cb -0.02 -3.54 0.39 0.00 0.02 0.00 0.00 46.19 43.04 1rml s LEU 60 CO -0.10 -0.50 0.94 -0.24 0.02 0.00 0.00 176.35 176.47 1rml n SER 61 N -2.06 0.29 -4.42 2.29 2.88 0.52 -4.77 113.62 108.35 1rml n SER 61 Ca -0.01 -2.92 -0.60 0.00 -1.33 0.00 0.00 58.87 54.00 1rml n SER 61 Cb 0.56 -0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.05 -2.62 0.14 -1.46 0.00 -1.26 -2.75 120.51 112.62 1rml n ALA 62 Ca 0.13 0.54 0.02 0.00 0.00 0.00 0.00 53.44 54.12 1rml n ALA 62 Cb 0.75 -1.75 0.01 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 2.43 -0.04 0.00 0.00 0.28 -1.08 -4.82 120.64 117.42 1rml n GLU 63 Ca 0.24 -0.64 0.00 0.00 -0.16 0.00 0.00 57.16 56.59 1rml n GLU 63 Cb 0.02 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 31.86 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 0.09 0.00 -4.46 -1.84 7.64 -0.37 -5.01 113.62 109.67 1rml n SER 64 Ca 0.02 0.00 -0.50 0.00 1.01 0.00 0.00 58.87 59.40 1rml n SER 64 Cb 0.08 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.17 1.47 -0.24 0.44 0.24 -1.26 0.14 118.33 118.95 1rml n VAL 65 Ca 0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1rml n VAL 65 Cb 0.00 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 1.81 2.42 2.88 7.63 0.00 -1.20 -4.92 105.19 113.82 1rml n GLY 66 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.03 0.36 0.30 1.61 2.12 0.37 -3.80 118.70 119.63 1rml s GLU 67 Ca 0.00 0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.65 1rml s GLU 67 Cb 0.00 -0.47 -0.06 0.00 0.26 0.00 0.00 34.13 33.86 1rml s GLU 67 CO 0.00 -0.87 -0.06 0.14 -0.54 0.00 0.00 175.26 173.94 1rml s VAL 68 N 2.51 1.76 0.38 3.70 -7.23 -1.16 -1.24 120.40 119.12 1rml s VAL 68 Ca 0.11 -2.13 0.08 0.00 -1.81 0.00 0.00 61.98 58.23 1rml s VAL 68 Cb -0.14 -2.54 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 1rml s VAL 68 CO -0.24 -0.25 0.05 -0.31 -0.31 0.00 0.00 175.10 174.04 1rml s TYR 69 N -2.93 2.54 -0.08 2.82 2.02 -1.11 0.15 117.35 120.77 1rml s TYR 69 Ca 0.31 -0.54 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 1rml s TYR 69 Cb 0.04 -1.69 0.04 0.00 -0.40 0.00 0.00 41.96 39.96 1rml s TYR 69 CO 0.13 0.40 0.16 0.42 -1.57 0.00 0.00 175.55 175.10 1rml s ILE 70 N -2.60 -0.13 -0.09 2.71 1.01 -1.26 0.20 121.20 121.04 1rml s ILE 70 Ca 0.36 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1rml s ILE 70 Cb 0.04 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 42.25 1rml s ILE 70 CO 0.20 0.10 -0.08 -0.75 0.00 0.00 0.00 174.94 174.40 1rml s LYS 71 N 1.56 1.43 -0.85 2.79 2.20 0.61 -0.98 119.74 126.51 1rml s LYS 71 Ca -0.05 -0.25 -0.13 0.00 -0.36 0.00 0.00 55.97 55.17 1rml s LYS 71 Cb -0.12 -1.42 -0.10 0.00 -1.51 0.00 0.00 37.83 34.68 1rml s LYS 71 CO -0.06 -0.18 2.01 0.45 -0.36 0.00 0.00 175.35 177.21 1rml n SER 72 N 4.58 3.75 -3.25 1.43 2.88 0.34 -1.88 113.62 121.47 1rml n SER 72 Ca -0.16 -2.49 -0.32 0.00 -1.33 0.00 0.00 58.87 54.57 1rml n SER 72 Cb 0.51 -1.11 -0.11 0.00 -0.75 0.00 0.00 64.21 62.75 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 5.05 0.00 0.00 2.46 5.66 -1.26 -3.40 114.28 122.79 1rml n THR 73 Ca 0.46 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.46 1rml n THR 73 Cb 0.26 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 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 6.08 0.00 -0.00 1.09 4.07 -1.26 -4.70 120.64 125.92 1rml n GLU 74 Ca 0.47 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.56 1rml n GLU 74 Cb 0.01 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.39 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 0.05 0.00 6.31 5.66 -1.22 -5.07 114.28 120.01 1rml n THR 75 Ca 0.00 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1rml n THR 75 Cb 0.00 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.42 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 3.02 -0.20 3.16 1.09 0.00 -1.26 -5.14 105.19 105.87 1rml n GLY 76 Ca -0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 3.04 -0.38 1.61 0.74 -1.26 -4.85 119.66 118.57 1rml s GLN 77 Ca 0.00 -0.82 -0.14 0.00 0.05 0.00 0.00 55.36 54.45 1rml s GLN 77 Cb 0.00 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.56 1rml s GLN 77 CO 0.00 -0.12 0.27 0.71 -0.55 0.00 0.00 175.29 175.60 1rml s TYR 78 N 1.10 3.24 0.86 1.67 1.51 -1.23 0.13 117.35 124.62 1rml s TYR 78 Ca 0.00 -0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 55.47 1rml s TYR 78 Cb -0.14 -2.54 -0.06 0.00 -0.11 0.00 0.00 41.96 39.11 1rml s TYR 78 CO -0.08 -0.49 -0.01 -0.11 -1.11 0.00 0.00 175.55 173.75 1rml n LEU 79 N 5.13 -2.19 -3.58 -1.29 -0.00 -0.15 -2.59 117.00 112.33 1rml n LEU 79 Ca -0.12 0.38 0.03 0.00 -0.00 0.00 0.00 56.01 56.31 1rml n LEU 79 Cb 0.48 -1.03 -0.00 0.00 -0.00 0.00 0.00 43.42 42.87 1rml n LEU 79 CO 0.39 -4.40 1.17 0.00 -0.00 0.00 0.00 177.39 174.55 1rml s ALA 80 N -2.11 -2.43 -0.04 1.96 0.00 0.21 -4.21 121.76 115.13 1rml s ALA 80 Ca 0.54 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 53.35 1rml s ALA 80 Cb -0.27 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1rml s ALA 80 CO 0.70 -1.06 0.02 1.41 0.00 0.00 0.00 175.76 176.83 1rml s MET 81 N -2.15 0.28 0.95 0.00 1.75 -1.26 0.19 119.30 119.06 1rml s MET 81 Ca 0.15 0.17 -0.15 0.00 -1.25 0.00 0.00 55.69 54.61 1rml s MET 81 Cb 0.07 -0.63 0.18 0.00 2.84 0.00 0.00 34.83 37.29 1rml s MET 81 CO -0.06 -0.24 1.28 -0.51 -0.65 0.00 0.00 175.02 174.84 1rml s ASP 82 N 1.63 3.25 0.41 1.11 1.01 -1.21 -4.79 116.67 118.07 1rml s ASP 82 Ca -0.01 0.41 0.25 0.00 0.71 0.00 0.00 52.55 53.91 1rml s ASP 82 Cb -0.13 -0.56 1.36 0.00 1.01 0.00 0.00 42.92 44.60 1rml s ASP 82 CO -0.03 -2.66 1.75 0.74 0.21 0.00 0.00 175.17 175.18 1rml h THR 83 N -1.59 0.00 -0.37 -1.27 2.02 -1.98 0.76 112.91 110.48 1rml h THR 83 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1rml h THR 83 Cb 1.26 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 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 -2.42 2.14 -2.47 4.18 2.03 -1.26 -4.85 116.55 113.90 1rml n ASP 84 Ca -0.02 -2.05 -0.11 0.00 0.52 0.00 0.00 54.79 53.13 1rml n ASP 84 Cb 0.11 -0.29 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 1rml n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rml n GLY 85 N 1.01 -0.50 3.39 0.27 0.00 0.26 -1.50 105.19 108.13 1rml n GLY 85 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.57 4.47 -0.05 0.99 0.20 -1.25 -3.17 118.68 114.31 1rml s LEU 86 Ca 0.01 -0.85 -0.40 0.00 0.69 0.00 0.00 54.13 53.58 1rml s LEU 86 Cb -0.01 -2.00 -0.19 0.00 -0.43 0.00 0.00 46.19 43.56 1rml s LEU 86 CO 0.01 -0.32 1.21 0.18 -0.29 0.00 0.00 176.35 177.15 1rml n LEU 87 N 4.98 0.59 -3.70 -0.68 4.32 -1.26 -3.34 117.00 117.91 1rml n LEU 87 Ca -0.13 1.15 -0.14 0.00 -0.02 0.00 0.00 56.01 56.87 1rml n LEU 87 Cb 0.47 -0.98 -0.08 0.00 -1.62 0.00 0.00 43.42 41.21 1rml n LEU 87 CO 0.35 -1.54 0.12 -0.72 -1.22 0.00 0.00 177.39 174.38 1rml s TYR 88 N 0.58 -0.30 -0.00 -1.77 1.13 0.50 -4.25 117.35 113.24 1rml s TYR 88 Ca 0.91 0.48 0.02 0.00 -1.41 0.00 0.00 57.07 57.07 1rml s TYR 88 Cb -1.22 0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 39.78 1rml s TYR 88 CO 0.58 -0.44 -0.03 0.20 -2.51 0.00 0.00 175.55 173.35 1rml s GLY 89 N -1.28 1.82 0.08 5.49 0.00 -1.26 0.64 107.32 112.80 1rml s GLY 89 Ca -0.13 -0.98 -0.05 0.00 0.00 0.00 0.00 44.72 43.56 1rml s GLY 89 CO 0.06 -0.84 0.09 -0.56 0.00 0.00 0.00 173.10 171.85 1rml s SER 90 N -1.48 0.28 -0.29 1.64 0.01 -1.07 -4.89 113.70 107.91 1rml s SER 90 Ca 0.18 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 1rml s SER 90 Cb -0.11 0.28 0.21 0.00 0.21 0.00 0.00 66.02 66.61 1rml s SER 90 CO 0.09 -0.68 1.96 1.67 0.41 0.00 0.00 173.24 176.69 1rml n GLN 91 N 0.01 1.73 -3.40 12.44 7.27 -1.26 -3.55 117.38 130.62 1rml n GLN 91 Ca -0.14 -1.45 -0.20 0.00 0.07 0.00 0.00 57.00 55.29 1rml n GLN 91 Cb 0.62 -1.57 -0.09 0.00 2.41 0.00 0.00 30.24 31.61 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 -2.07 -0.25 -0.99 1.69 -4.23 -1.26 -5.08 115.64 103.45 1rml s THR 92 Ca 0.28 -1.00 -0.23 0.00 -1.18 0.00 0.00 61.69 59.56 1rml s THR 92 Cb 0.22 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 73.23 1rml s THR 92 CO 0.00 -0.64 1.70 -2.16 -0.54 0.00 0.00 174.62 172.98 1rml s PRO 93 N 1.60 3.11 0.26 3.99 0.04 -1.26 -4.40 135.00 138.34 1rml s PRO 93 Ca 0.15 -0.80 0.02 0.00 0.04 0.00 0.00 61.00 60.41 1rml s PRO 93 Cb -0.16 -5.23 -0.01 0.00 0.04 0.00 0.00 34.50 29.14 1rml s PRO 93 CO -0.11 -2.80 0.07 0.09 0.04 0.00 0.00 177.00 174.29 1rml n ASN 94 N 11.34 1.52 -0.52 6.66 3.02 -1.26 -4.93 115.26 131.10 1rml n ASN 94 Ca 0.37 -2.34 0.43 0.00 -0.03 0.00 0.00 54.58 53.01 1rml n ASN 94 Cb 0.49 0.54 0.71 0.00 -0.61 0.00 0.00 39.78 40.91 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 0.01 0.58 3.52 5.08 -1.94 0.39 114.58 122.22 1rml h GLU 95 Ca -0.21 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1rml h GLU 95 Cb 0.75 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1rml h GLU 95 CO 0.34 0.00 -0.28 1.49 -1.00 0.00 0.00 179.01 179.56 1rml h GLU 96 N 0.01 -0.76 -1.03 2.33 4.81 -1.90 -2.93 114.58 115.12 1rml h GLU 96 Ca 0.89 0.05 0.27 0.00 -0.13 0.00 0.00 59.36 60.44 1rml h GLU 96 Cb 3.02 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 32.50 1rml h GLU 96 CO -0.38 -0.50 0.69 0.00 -0.73 0.00 0.00 179.01 178.08 1rml n LEU 98 N -4.51 -1.93 -3.35 0.00 4.77 0.38 -4.23 117.00 108.13 1rml n LEU 98 Ca 0.24 -0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1rml n LEU 98 Cb 0.92 -1.06 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1rml n LEU 98 CO 0.30 -3.37 -0.11 -0.36 -1.33 0.00 0.00 177.39 172.51 1rml s PHE 99 N -2.27 -0.76 -0.79 -1.77 0.08 0.39 -4.32 117.98 108.54 1rml s PHE 99 Ca 0.61 0.17 -0.26 0.00 0.12 0.00 0.00 56.93 57.57 1rml s PHE 99 Cb -0.17 -0.27 -0.17 0.00 -0.57 0.00 0.00 43.02 41.84 1rml s PHE 99 CO 0.63 -0.93 2.49 1.28 -0.10 0.00 0.00 175.22 178.59 1rml n LEU 100 N 5.34 0.97 -4.89 -0.37 4.77 -0.70 -2.97 117.00 119.14 1rml n LEU 100 Ca -0.01 -0.37 -0.34 0.00 -0.03 0.00 0.00 56.01 55.26 1rml n LEU 100 Cb 0.48 -1.20 -0.05 0.00 -2.33 0.00 0.00 43.42 40.32 1rml n LEU 100 CO -0.00 -1.36 -0.08 -0.70 -1.33 0.00 0.00 177.39 173.91 1rml s GLU 101 N 8.48 3.55 0.00 3.23 -6.30 -1.25 -0.24 118.70 126.17 1rml s GLU 101 Ca 1.17 -0.14 0.00 0.00 -2.50 0.00 0.00 54.97 53.50 1rml s GLU 101 Cb -0.68 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 30.38 1rml s GLU 101 CO 0.37 0.65 0.00 0.54 0.02 0.00 0.00 175.26 176.84 1rml n ARG 102 N 1.04 0.00 0.00 4.30 1.74 -0.87 -3.21 116.66 119.66 1rml n ARG 102 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1rml n ARG 102 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1rml n ARG 102 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1rml n LEU 103 N 0.00 0.00 -0.13 0.55 0.00 -1.26 -4.79 117.00 111.36 1rml n LEU 103 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.76 1rml n LEU 103 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 1rml n LEU 103 CO 0.00 0.00 -1.40 1.21 0.00 0.00 0.00 177.39 177.20 1rml n GLU 104 N 0.00 0.59 0.00 1.96 4.07 -1.26 -4.95 120.64 121.05 1rml n GLU 104 Ca 0.00 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 1rml n GLU 104 Cb 0.00 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 1rml n GLU 104 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1rml n GLU 105 N -3.89 0.00 -2.73 5.31 1.02 -1.26 -5.08 120.64 114.01 1rml n GLU 105 Ca -0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.55 1rml n GLU 105 Cb 0.91 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.41 1rml n GLU 105 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1rml n ASN 106 N 0.00 -0.91 0.05 1.62 5.15 -1.26 -4.94 115.26 114.97 1rml n ASN 106 Ca 0.00 -2.73 0.00 0.00 -0.60 0.00 0.00 54.58 51.25 1rml n ASN 106 Cb 0.00 0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 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 -0.27 -2.26 0.00 1.20 8.25 -1.26 -5.14 115.22 115.74 1rml n HIS 107 Ca 0.03 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1rml n HIS 107 Cb 0.81 1.14 0.00 0.00 1.12 0.00 0.00 29.99 33.05 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 -2.68 -0.39 -2.71 4.41 4.01 -1.26 -4.79 117.16 113.76 1rml n TYR 108 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1rml n TYR 108 Cb 0.00 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.00 -1.98 -4.08 7.72 4.13 -1.20 -4.85 115.26 114.99 1rml n ASN 109 Ca 0.00 -2.99 -0.37 0.00 1.68 0.00 0.00 54.58 52.89 1rml n ASN 109 Cb 0.00 1.56 0.02 0.00 -1.54 0.00 0.00 39.78 39.82 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 0.14 0.00 -4.40 3.41 -2.24 -1.26 -4.58 114.28 105.35 1rml n THR 110 Ca -0.00 -0.49 -0.23 0.00 -2.27 0.00 0.00 64.05 61.06 1rml n THR 110 Cb 0.74 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 1rml n THR 110 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1rml s TYR 111 N -1.96 1.78 -0.21 4.78 1.51 -1.26 -2.05 117.35 119.94 1rml s TYR 111 Ca 0.51 -1.52 -0.14 0.00 -1.01 0.00 0.00 57.07 54.90 1rml s TYR 111 Cb -0.39 -0.92 0.06 0.00 -0.11 0.00 0.00 41.96 40.60 1rml s TYR 111 CO 0.70 -0.63 0.53 -1.50 -1.11 0.00 0.00 175.55 173.53 1rml s ILE 112 N -3.30 -0.01 -0.96 2.71 2.07 0.67 -2.85 121.20 119.54 1rml s ILE 112 Ca 0.32 0.04 -0.32 0.00 -1.41 0.00 0.00 60.65 59.28 1rml s ILE 112 Cb 0.02 -0.76 -0.22 0.00 0.13 0.00 0.00 42.46 41.63 1rml s ILE 112 CO 0.22 0.02 2.65 -0.24 -1.91 0.00 0.00 174.94 175.68 1rml n SER 113 N 3.82 0.35 0.27 4.50 2.88 0.20 -1.72 113.62 123.91 1rml n SER 113 Ca -0.19 0.21 0.13 0.00 -1.33 0.00 0.00 58.87 57.69 1rml n SER 113 Cb 0.57 -0.92 0.74 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 11.83 0.00 0.00 -1.46 3.11 -1.80 1.09 116.57 129.34 1rml h LYS 114 Ca -0.06 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.73 1rml h LYS 114 Cb 1.32 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.54 1rml h LYS 114 CO 1.36 0.11 -0.26 -0.22 -2.81 0.00 0.00 179.45 177.63 1rml h LYS 115 N 0.00 0.00 0.00 1.90 3.64 -1.79 -3.36 116.57 116.96 1rml h LYS 115 Ca -0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 1rml h LYS 115 Cb 0.33 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.00 1rml h LYS 115 CO 0.01 0.26 -0.46 -2.39 -2.27 0.00 0.00 179.45 174.61 1rml n HIS 116 N -3.78 -3.13 1.50 1.91 1.44 -0.18 -4.95 115.22 108.03 1rml n HIS 116 Ca -0.01 -1.87 0.13 0.00 -2.01 0.00 0.00 57.72 53.95 1rml n HIS 116 Cb 0.36 1.59 0.73 0.00 0.12 0.00 0.00 29.99 32.79 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 1.17 2.40 0.92 1.59 0.00 0.36 -2.84 120.51 124.11 1rml n ALA 117 Ca 0.08 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1rml n ALA 117 Cb 0.66 -1.41 0.47 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.06 0.34 -0.00 0.00 2.13 -1.26 -1.43 120.64 119.35 1rml n GLU 118 Ca 0.18 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1rml n GLU 118 Cb 0.11 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.32 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 -1.21 0.02 -3.34 5.31 4.81 -1.13 -4.98 118.16 117.64 1rml n LYS 119 Ca 0.10 -0.78 -0.24 0.00 -0.87 0.00 0.00 58.31 56.52 1rml n LYS 119 Cb 0.12 -1.01 0.04 0.00 0.02 0.00 0.00 35.03 34.19 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 -0.08 -5.60 -4.37 3.14 5.03 -0.52 -4.80 115.26 108.06 1rml n ASN 120 Ca 0.00 -0.43 -0.32 0.00 0.87 0.00 0.00 54.58 54.70 1rml n ASN 120 Cb 0.07 -4.50 -0.06 0.00 -1.02 0.00 0.00 39.78 34.27 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 -4.56 2.55 -0.34 3.10 8.01 -1.25 -4.23 117.44 120.71 1rml n TRP 121 Ca -0.05 -1.54 -0.31 0.00 -1.31 0.00 0.00 57.50 54.29 1rml n TRP 121 Cb 0.58 -2.41 0.29 0.00 -2.01 0.00 0.00 31.31 27.76 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 9.66 -0.78 -0.34 -5.99 0.40 0.49 0.60 117.98 122.03 1rml s PHE 122 Ca 0.66 0.55 0.04 0.00 -0.60 0.00 0.00 56.93 57.58 1rml s PHE 122 Cb 0.03 -2.87 0.10 0.00 0.51 0.00 0.00 43.02 40.79 1rml s PHE 122 CO 0.13 -5.09 0.05 0.54 0.70 0.00 0.00 175.22 171.55 1rml s VAL 123 N -2.24 2.27 -0.27 -0.44 0.11 -1.13 -4.62 120.40 114.08 1rml s VAL 123 Ca 0.69 -2.34 -0.24 0.00 -2.93 0.00 0.00 61.98 57.16 1rml s VAL 123 Cb -0.13 -2.68 0.08 0.00 -1.53 0.00 0.00 36.38 32.12 1rml s VAL 123 CO 0.58 -0.59 0.75 -0.83 -3.33 0.00 0.00 175.10 171.68 1rml s GLY 124 N 0.91 -0.50 -0.35 6.54 0.00 -1.26 -4.33 107.32 108.33 1rml s GLY 124 Ca 0.11 2.17 -0.17 0.00 0.00 0.00 0.00 44.72 46.83 1rml s GLY 124 CO -0.08 1.86 0.43 0.48 0.00 0.00 0.00 173.10 175.79 1rml s LEU 125 N 0.55 4.41 -0.05 0.66 0.05 -0.53 -4.20 118.68 119.56 1rml s LEU 125 Ca -0.01 -0.15 -0.10 0.00 0.05 0.00 0.00 54.13 53.92 1rml s LEU 125 Cb -0.05 -2.45 -0.05 0.00 -2.05 0.00 0.00 46.19 41.59 1rml s LEU 125 CO -0.03 -0.41 0.30 1.17 -0.55 0.00 0.00 176.35 176.84 1rml n LYS 126 N 5.55 0.00 -0.36 1.48 4.81 -0.80 -4.43 118.16 124.42 1rml n LYS 126 Ca -0.07 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.24 1rml n LYS 126 Cb 0.49 -0.35 -0.01 0.00 0.02 0.00 0.00 35.03 35.18 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 0.61 0.86 0.00 1.64 -0.00 -1.26 -1.78 118.16 118.23 1rml n LYS 127 Ca 0.06 -0.95 0.00 0.00 -0.00 0.00 0.00 58.31 57.42 1rml n LYS 127 Cb 0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 35.03 32.80 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 5.00 0.00 0.00 -5.58 2.85 -1.26 -4.92 115.26 111.34 1rml n ASN 128 Ca 0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 1rml n ASN 128 Cb 0.09 0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.18 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 -0.84 0.32 0.00 8.20 0.00 -0.73 -4.91 105.19 107.23 1rml n GLY 129 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1rml n GLY 129 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rml n SER 130 N 0.00 0.00 -4.42 1.61 2.88 -1.26 -4.98 113.62 107.46 1rml n SER 130 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1rml n SER 130 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 1rml n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rml s LYS 132 N -4.09 2.26 0.19 0.00 2.47 -1.26 -4.62 119.74 114.69 1rml s LYS 132 Ca 0.64 -1.98 0.11 0.00 -1.56 0.00 0.00 55.97 53.18 1rml s LYS 132 Cb -0.21 -1.99 -0.04 0.00 -1.46 0.00 0.00 37.83 34.13 1rml s LYS 132 CO 0.65 -0.37 -0.22 1.03 0.16 0.00 0.00 175.35 176.61 1rml s ARG 133 N -4.07 1.61 0.07 4.03 1.81 -1.25 -4.49 118.95 116.65 1rml s ARG 133 Ca 0.33 -1.46 -0.14 0.00 -1.72 0.00 0.00 55.73 52.73 1rml s ARG 133 Cb 0.00 -1.91 -0.03 0.00 -0.45 0.00 0.00 34.95 32.57 1rml s ARG 133 CO 0.19 0.41 1.01 0.41 -0.68 0.00 0.00 175.30 176.64 1rml n GLY 134 N 0.28 -2.15 2.19 -3.53 0.00 -0.56 0.23 105.19 101.65 1rml n GLY 134 Ca -0.13 0.72 -0.12 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.07 1.71 0.00 1.61 -0.04 -1.26 -2.70 135.00 130.25 1rml n PRO 135 Ca 0.01 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 1rml n PRO 135 Cb 0.12 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 2.84 0.00 -3.21 0.54 5.12 0.14 -5.08 116.66 117.02 1rml n ARG 136 Ca 0.37 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 56.06 1rml n ARG 136 Cb 0.60 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.84 1rml n ARG 136 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1rml n THR 137 N 0.00 0.00 -4.29 0.55 5.66 -0.94 -3.95 114.28 111.32 1rml n THR 137 Ca 0.00 -4.38 -0.22 0.00 -3.05 0.00 0.00 64.05 56.40 1rml n THR 137 Cb 0.00 -1.53 -0.12 0.00 -1.55 0.00 0.00 70.33 67.13 1rml n THR 137 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1rml s HIS 138 N -1.76 1.72 -1.06 1.09 3.76 -1.26 0.19 115.29 117.95 1rml s HIS 138 Ca 0.38 -0.46 -0.27 0.00 -0.15 0.00 0.00 55.06 54.56 1rml s HIS 138 Cb 0.22 -0.90 -0.23 0.00 1.11 0.00 0.00 32.58 32.77 1rml s HIS 138 CO -0.09 0.23 2.13 2.48 -0.85 0.00 0.00 174.74 178.64 1rml n TYR 139 N 0.73 0.91 -0.00 1.40 4.11 -1.26 -4.24 117.16 118.81 1rml n TYR 139 Ca -0.17 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.90 57.58 1rml n TYR 139 Cb 0.55 -2.60 -0.00 0.00 -0.00 0.00 0.00 39.34 37.29 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 6.17 -0.02 3.63 -7.48 0.00 -1.26 -5.08 105.19 101.15 1rml n GLY 140 Ca 0.41 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.01 1.98 -0.15 1.61 1.11 -1.26 -5.01 119.66 115.92 1rml s GLN 141 Ca -0.01 -2.17 -0.04 0.00 0.01 0.00 0.00 55.36 53.16 1rml s GLN 141 Cb 0.00 -1.42 -0.07 0.00 -1.01 0.00 0.00 33.01 30.51 1rml s GLN 141 CO 0.02 -0.19 2.86 1.63 0.01 0.00 0.00 175.29 179.62 1rml n LYS 142 N -1.01 1.85 -0.00 2.91 5.02 -1.26 -3.68 118.16 121.99 1rml n LYS 142 Ca -0.09 -1.17 0.07 0.00 -2.02 0.00 0.00 58.31 55.10 1rml n LYS 142 Cb 0.67 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 1rml n LYS 142 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rml n ALA 143 N 1.62 2.94 -0.03 7.82 0.00 -1.26 -1.66 120.51 129.93 1rml n ALA 143 Ca 0.33 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1rml n ALA 143 Cb 0.70 -0.50 -0.13 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.79 1.14 -1.55 0.00 -5.35 -1.24 -1.46 119.36 109.11 1rml n ILE 144 Ca -0.01 -0.74 -0.19 0.00 -0.27 0.00 0.00 62.75 61.54 1rml n ILE 144 Cb 0.33 -0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 37.58 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 -2.77 1.71 -4.41 7.28 4.32 -1.26 -4.63 117.00 117.25 1rml n LEU 145 Ca -0.18 -1.21 -0.36 0.00 -0.02 0.00 0.00 56.01 54.24 1rml n LEU 145 Cb 0.94 -1.58 -0.13 0.00 -1.62 0.00 0.00 43.42 41.04 1rml n LEU 145 CO 0.44 -2.32 -0.30 -0.36 -1.22 0.00 0.00 177.39 173.63 1rml s PHE 146 N 13.43 3.07 -0.19 -1.77 0.08 -1.26 0.06 117.98 131.40 1rml s PHE 146 Ca 0.97 -0.60 -0.03 0.00 0.12 0.00 0.00 56.93 57.39 1rml s PHE 146 Cb -0.20 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.01 1rml s PHE 146 CO 0.15 -0.43 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.62 1rml s LEU 147 N 1.57 2.97 0.09 -0.37 0.20 0.47 -3.26 118.68 120.36 1rml s LEU 147 Ca 0.06 -0.31 -0.30 0.00 0.69 0.00 0.00 54.13 54.26 1rml s LEU 147 Cb -0.15 -1.74 -0.06 0.00 -0.43 0.00 0.00 46.19 43.81 1rml s LEU 147 CO 0.02 0.05 1.16 -2.16 -0.29 0.00 0.00 176.35 175.13 1rml s PRO 148 N 1.03 4.48 -0.49 0.98 0.04 -1.26 -1.35 135.00 138.43 1rml s PRO 148 Ca 0.01 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.85 1rml s PRO 148 Cb -0.15 -3.34 0.30 0.00 0.04 0.00 0.00 34.50 31.36 1rml s PRO 148 CO 0.00 -0.16 0.75 1.47 0.04 0.00 0.00 177.00 179.10 1rml n LEU 149 N 3.53 2.32 -4.80 -3.56 -0.00 -1.19 -4.98 117.00 108.32 1rml n LEU 149 Ca 0.07 -5.22 -0.30 0.00 -0.00 0.00 0.00 56.01 50.56 1rml n LEU 149 Cb 0.47 0.05 0.09 0.00 -0.00 0.00 0.00 43.42 44.03 1rml n LEU 149 CO 0.55 2.21 0.71 -2.16 -0.00 0.00 0.00 177.39 178.70 1rml s PRO 150 N -2.46 2.04 -0.36 1.47 0.04 -1.26 -4.01 135.00 130.46 1rml s PRO 150 Ca 0.41 0.62 0.11 0.00 0.04 0.00 0.00 61.00 62.18 1rml s PRO 150 Cb 0.25 -1.91 0.39 0.00 0.04 0.00 0.00 34.50 33.26 1rml s PRO 150 CO -0.09 -1.65 1.44 1.33 0.04 0.00 0.00 177.00 178.08 1rml n VAL 151 N -3.45 0.00 -1.38 -0.36 0.24 -0.99 -4.99 118.33 107.40 1rml n VAL 151 Ca 0.07 -1.20 -0.46 0.00 -2.04 0.00 0.00 64.34 60.70 1rml n VAL 151 Cb 0.56 0.99 -0.14 0.00 -1.47 0.00 0.00 33.84 33.78 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 -1.09 0.43 0.00 -1.34 2.88 -1.21 -4.66 113.62 108.62 1rml n SER 152 Ca -0.11 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1rml n SER 152 Cb 0.86 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1rml n SER 152 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1rml n SER 153 N 9.24 0.00 0.00 -3.46 2.88 -1.26 -5.12 113.62 115.90 1rml n SER 153 Ca 0.61 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1rml n SER 153 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1rml n SER 153 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14