#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g46 s PHE 2 N 0.00 3.62 -0.13 2.03 -0.12 -1.26 -0.10 117.98 122.02 2g46 s PHE 2 Ca 0.00 1.07 -0.14 0.00 -0.05 0.00 0.00 56.93 57.81 2g46 s PHE 2 Cb 0.00 -2.57 0.04 0.00 -0.63 0.00 0.00 43.02 39.86 2g46 s PHE 2 CO 0.00 0.29 0.38 1.21 -0.05 0.00 0.00 175.22 177.05 2g46 s ASN 3 N 0.10 -0.38 0.25 1.98 3.04 0.84 -4.91 114.94 115.86 2g46 s ASN 3 Ca 0.29 0.69 -0.04 0.00 0.04 0.00 0.00 52.86 53.84 2g46 s ASN 3 Cb -0.17 0.73 0.51 0.00 -1.54 0.00 0.00 41.25 40.78 2g46 s ASN 3 CO 0.14 -0.18 1.67 -0.78 -3.04 0.00 0.00 177.10 174.91 2g46 h ASP 4 N 5.30 -0.05 0.43 -4.21 3.58 -2.02 0.43 116.42 119.89 2g46 h ASP 4 Ca -0.27 0.16 -0.19 0.00 0.42 0.00 0.00 57.03 57.15 2g46 h ASP 4 Cb 1.18 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 2g46 h ASP 4 CO 0.28 -0.08 -0.80 0.03 -2.88 0.00 0.00 179.24 175.78 2g46 h ARG 5 N 0.23 0.29 -2.53 0.28 3.08 -1.98 -3.43 114.38 110.32 2g46 h ARG 5 Ca 0.44 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2g46 h ARG 5 Cb 0.79 0.07 -0.25 0.00 0.08 0.00 0.00 29.97 30.66 2g46 h ARG 5 CO -0.56 0.95 -0.20 0.08 -1.07 0.00 0.00 179.97 179.17 2g46 s VAL 6 N -3.41 -0.01 0.22 2.04 1.01 0.14 -4.04 120.40 116.34 2g46 s VAL 6 Ca -0.04 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.09 2g46 s VAL 6 Cb 0.10 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2g46 s VAL 6 CO 0.83 0.02 -0.15 -0.51 0.00 0.00 0.00 175.10 175.29 2g46 s ILE 7 N 0.97 2.80 -0.21 2.22 2.07 -1.01 -0.11 121.20 127.93 2g46 s ILE 7 Ca -0.06 -1.98 -0.21 0.00 -1.41 0.00 0.00 60.65 57.00 2g46 s ILE 7 Cb -0.06 -2.41 -0.02 0.00 0.13 0.00 0.00 42.46 40.10 2g46 s ILE 7 CO -0.08 -0.21 0.63 0.54 -1.91 0.00 0.00 174.94 173.90 2g46 s VAL 8 N -1.96 5.02 -0.18 4.00 0.11 0.86 -1.55 120.40 126.69 2g46 s VAL 8 Ca 0.26 1.17 -0.07 0.00 -2.93 0.00 0.00 61.98 60.40 2g46 s VAL 8 Cb -0.07 -3.94 0.08 0.00 -1.53 0.00 0.00 36.38 30.92 2g46 s VAL 8 CO 0.14 0.10 0.39 -0.54 -3.33 0.00 0.00 175.10 171.86 2g46 s LYS 9 N 2.01 0.31 -0.84 1.54 1.02 -0.98 -4.82 119.74 117.99 2g46 s LYS 9 Ca 0.28 0.94 -0.02 0.00 0.02 0.00 0.00 55.97 57.19 2g46 s LYS 9 Cb -0.16 0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 37.34 2g46 s LYS 9 CO 0.10 -0.24 0.76 1.17 -0.92 0.00 0.00 175.35 176.22 2g46 n LYS 10 N 5.16 -1.57 0.15 1.68 0.00 -1.07 -1.38 118.16 121.13 2g46 n LYS 10 Ca -0.11 1.28 0.00 0.00 0.00 0.00 0.00 58.31 59.48 2g46 n LYS 10 Cb 0.51 -5.64 0.00 0.00 0.00 0.00 0.00 35.03 29.90 2g46 n LYS 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2g46 n SER 11 N -2.21 -2.75 -2.48 3.14 7.64 -1.26 -4.97 113.62 110.73 2g46 n SER 11 Ca -0.03 0.70 -0.14 0.00 1.01 0.00 0.00 58.87 60.41 2g46 n SER 11 Cb 0.54 2.71 -0.09 0.00 -1.01 0.00 0.00 64.21 66.36 2g46 n SER 11 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2g46 n PRO 12 N -3.18 1.73 -2.00 1.43 -0.04 -1.26 -4.57 135.00 127.11 2g46 n PRO 12 Ca 0.00 -0.99 -0.07 0.00 -0.04 0.00 0.00 63.50 62.40 2g46 n PRO 12 Cb 0.00 -2.06 -0.01 0.00 -0.04 0.00 0.00 33.50 31.39 2g46 n PRO 12 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2g46 n LEU 13 N 3.07 -0.60 0.00 1.53 7.94 -1.26 -4.87 117.00 122.81 2g46 n LEU 13 Ca 0.37 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.54 2g46 n LEU 13 Cb 0.49 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.92 2g46 n LEU 13 CO 0.34 -0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.05 2g46 n GLY 14 N -0.47 0.69 0.00 -3.96 0.00 -1.26 -5.13 105.19 95.05 2g46 n GLY 14 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2g46 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g46 n GLY 15 N 5.00 1.29 2.61 -0.02 0.00 -1.26 -4.91 105.19 107.91 2g46 n GLY 15 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2g46 n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g46 s TYR 16 N 1.39 0.21 0.33 1.61 1.51 -1.26 -2.59 117.35 118.55 2g46 s TYR 16 Ca 0.00 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 2g46 s TYR 16 Cb 0.00 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 2g46 s TYR 16 CO 0.00 -0.52 0.13 0.20 -1.11 0.00 0.00 175.55 174.26 2g46 s GLY 17 N 2.13 2.20 -0.31 0.71 0.00 -0.48 -4.42 107.32 107.16 2g46 s GLY 17 Ca 0.02 -1.67 -0.14 0.00 0.00 0.00 0.00 44.72 42.93 2g46 s GLY 17 CO -0.09 -1.69 0.34 0.14 0.00 0.00 0.00 173.10 171.80 2g46 s VAL 18 N -3.46 5.19 -0.14 1.40 1.01 -1.11 -2.31 120.40 120.99 2g46 s VAL 18 Ca 0.33 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.31 2g46 s VAL 18 Cb 0.05 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2g46 s VAL 18 CO 0.16 0.04 0.62 -0.36 0.00 0.00 0.00 175.10 175.55 2g46 s PHE 19 N 1.99 3.47 -1.01 5.22 0.40 -0.59 0.37 117.98 127.83 2g46 s PHE 19 Ca 0.12 1.02 -0.17 0.00 -0.60 0.00 0.00 56.93 57.30 2g46 s PHE 19 Cb -0.16 -2.74 0.16 0.00 0.51 0.00 0.00 43.02 40.78 2g46 s PHE 19 CO 0.11 -0.01 1.18 0.00 0.70 0.00 0.00 175.22 177.20 2g46 s ALA 20 N 1.27 3.66 0.65 5.36 0.00 0.89 -2.41 121.76 131.17 2g46 s ALA 20 Ca 0.31 -3.02 0.41 0.00 0.00 0.00 0.00 51.96 49.66 2g46 s ALA 20 Cb -0.16 -4.01 2.26 0.00 0.00 0.00 0.00 23.12 21.21 2g46 s ALA 20 CO 0.13 -2.83 2.27 -0.09 0.00 0.00 0.00 175.76 175.23 2g46 h ARG 21 N 8.19 0.00 -6.27 0.00 2.43 -1.84 0.68 114.38 117.58 2g46 h ARG 21 Ca 0.20 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.82 2g46 h ARG 21 Cb 0.98 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 2g46 h ARG 21 CO 1.11 0.00 -0.20 0.15 -1.51 0.00 0.00 179.97 179.53 2g46 s LYS 22 N -4.13 2.25 0.00 0.20 -0.14 -1.26 -3.99 119.74 112.68 2g46 s LYS 22 Ca -0.05 -1.87 0.00 0.00 -1.36 0.00 0.00 55.97 52.69 2g46 s LYS 22 Cb 0.12 -2.35 0.00 0.00 -1.68 0.00 0.00 37.83 33.92 2g46 s LYS 22 CO 0.38 -0.77 0.00 0.43 -0.76 0.00 0.00 175.35 174.62 2g46 n SER 23 N -2.02 0.00 -4.55 2.83 7.64 0.90 -2.25 113.62 116.18 2g46 n SER 23 Ca 0.07 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.69 2g46 n SER 23 Cb 0.63 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.74 2g46 n SER 23 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2g46 s PHE 24 N -2.00 2.54 0.32 1.43 0.08 -1.01 -4.94 117.98 114.40 2g46 s PHE 24 Ca 0.00 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 56.85 2g46 s PHE 24 Cb 0.00 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2g46 s PHE 24 CO 0.00 0.57 0.45 -2.00 -0.10 0.00 0.00 175.22 174.14 2g46 s GLU 25 N -3.11 3.17 -0.97 0.44 2.12 -1.26 -1.16 118.70 117.93 2g46 s GLU 25 Ca 0.27 -0.97 -0.26 0.00 0.36 0.00 0.00 54.97 54.37 2g46 s GLU 25 Cb -0.07 -2.83 -0.16 0.00 0.26 0.00 0.00 34.13 31.33 2g46 s GLU 25 CO 0.15 0.13 2.19 0.21 -0.54 0.00 0.00 175.26 177.40 2g46 s LYS 26 N -4.14 1.61 0.00 4.30 2.20 -1.26 -2.71 119.74 119.74 2g46 s LYS 26 Ca 0.43 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 2g46 s LYS 26 Cb -0.09 -4.94 0.00 0.00 -1.51 0.00 0.00 37.83 31.28 2g46 s LYS 26 CO 0.31 -4.75 0.00 0.41 -0.36 0.00 0.00 175.35 170.95 2g46 n GLY 27 N 6.43 0.39 3.10 5.54 0.00 -0.98 -4.91 105.19 114.77 2g46 n GLY 27 Ca 0.44 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 2g46 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g46 s GLU 28 N 0.00 2.44 -0.21 1.61 2.02 -1.10 -4.92 118.70 118.53 2g46 s GLU 28 Ca 0.00 -1.22 -0.35 0.00 0.02 0.00 0.00 54.97 53.42 2g46 s GLU 28 Cb 0.00 -2.88 -0.11 0.00 0.10 0.00 0.00 34.13 31.24 2g46 s GLU 28 CO 0.00 -0.50 2.01 -0.11 0.02 0.00 0.00 175.26 176.68 2g46 n LEU 29 N 4.51 2.88 -3.71 1.80 -0.00 -1.26 -3.85 117.00 117.35 2g46 n LEU 29 Ca -0.15 0.71 -0.42 0.00 -0.00 0.00 0.00 56.01 56.15 2g46 n LEU 29 Cb 0.44 -1.33 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 2g46 n LEU 29 CO 0.23 -0.39 2.19 0.52 -0.00 0.00 0.00 177.39 179.94 2g46 n VAL 30 N 6.07 4.59 -1.37 1.96 0.31 0.42 -4.95 118.33 125.36 2g46 n VAL 30 Ca 0.30 -4.24 0.16 0.00 -0.01 0.00 0.00 64.34 60.55 2g46 n VAL 30 Cb 0.27 -2.29 -0.08 0.00 -0.91 0.00 0.00 33.84 30.83 2g46 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2g46 n GLU 31 N 3.27 -2.96 -4.02 5.55 2.13 -1.26 -4.44 120.64 118.91 2g46 n GLU 31 Ca 0.49 2.35 -0.10 0.00 0.66 0.00 0.00 57.16 60.56 2g46 n GLU 31 Cb 0.32 -3.54 -0.07 0.00 0.27 0.00 0.00 31.44 28.42 2g46 n GLU 31 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2g46 s GLU 32 N -3.99 1.25 0.37 5.31 -1.05 -1.26 -2.54 118.70 116.79 2g46 s GLU 32 Ca 0.00 -1.29 -0.04 0.00 -0.15 0.00 0.00 54.97 53.49 2g46 s GLU 32 Cb 0.00 0.38 0.02 0.00 -0.44 0.00 0.00 34.13 34.08 2g46 s GLU 32 CO 0.00 -0.47 0.55 0.00 0.95 0.00 0.00 175.26 176.29 2g46 n LEU 34 N -0.59 0.00 -4.04 0.00 4.77 -1.26 -2.29 117.00 113.59 2g46 n LEU 34 Ca -0.01 -1.67 -0.13 0.00 -0.03 0.00 0.00 56.01 54.18 2g46 n LEU 34 Cb 0.61 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 2g46 n LEU 34 CO 0.30 -0.80 0.18 0.00 -1.33 0.00 0.00 177.39 175.73 2g46 s ILE 36 N -3.25 3.91 -0.23 0.00 1.01 -1.10 -4.74 121.20 116.79 2g46 s ILE 36 Ca 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2g46 s ILE 36 Cb -0.01 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 39.84 2g46 s ILE 36 CO 0.16 0.51 -0.11 -0.69 0.00 0.00 0.00 174.94 174.82 2g46 s VAL 37 N -0.92 2.52 0.06 2.92 1.01 -1.26 -0.08 120.40 124.64 2g46 s VAL 37 Ca 0.15 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2g46 s VAL 37 Cb -0.11 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 2g46 s VAL 37 CO 0.05 0.25 0.16 -0.13 0.00 0.00 0.00 175.10 175.43 2g46 s ARG 38 N 1.27 0.73 0.91 2.72 1.81 -0.86 -4.97 118.95 120.56 2g46 s ARG 38 Ca -0.00 -0.81 -0.13 0.00 -1.72 0.00 0.00 55.73 53.07 2g46 s ARG 38 Cb -0.16 0.30 0.17 0.00 -0.45 0.00 0.00 34.95 34.81 2g46 s ARG 38 CO -0.07 -0.21 1.25 -1.01 -0.68 0.00 0.00 175.30 174.58 2g46 s HIS 39 N -3.15 1.76 0.00 -0.53 3.76 -1.26 -0.72 115.29 115.15 2g46 s HIS 39 Ca -0.01 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 2g46 s HIS 39 Cb 0.02 -3.88 0.00 0.00 1.11 0.00 0.00 32.58 29.83 2g46 s HIS 39 CO -0.07 -2.40 0.00 0.27 -0.85 0.00 0.00 174.74 171.69 2g46 n ASN 40 N -3.57 0.00 0.00 1.40 0.23 -1.26 -4.13 115.26 107.93 2g46 n ASN 40 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.19 2g46 n ASN 40 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 2g46 n ASN 40 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2g46 n ASP 41 N 0.00 0.00 -0.33 0.53 -0.08 -1.26 -3.01 116.55 112.40 2g46 n ASP 41 Ca 0.00 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.47 2g46 n ASP 41 Cb 0.00 0.00 0.40 0.00 2.34 0.00 0.00 41.12 43.86 2g46 n ASP 41 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 2g46 h ASP 42 N 8.94 0.46 -0.49 1.67 2.03 -2.00 0.79 116.42 127.82 2g46 h ASP 42 Ca 0.00 0.17 -0.01 0.00 -0.73 0.00 0.00 57.03 56.46 2g46 h ASP 42 Cb 0.00 0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 38.60 2g46 h ASP 42 CO 0.00 -0.05 0.28 -0.25 -1.03 0.00 0.00 179.24 178.19 2g46 h TRP 43 N 0.39 0.67 -0.39 4.15 2.91 -1.75 0.17 115.95 122.11 2g46 h TRP 43 Ca 0.65 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.60 2g46 h TRP 43 Cb 1.36 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.78 2g46 h TRP 43 CO -0.07 0.47 -0.04 0.78 -1.03 0.00 0.00 178.44 178.55 2g46 h GLY 44 N 0.76 0.69 0.00 2.65 0.00 0.62 -2.18 103.07 105.61 2g46 h GLY 44 Ca 0.18 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2g46 h GLY 44 CO -0.03 0.43 -0.22 -0.84 0.00 0.00 0.00 176.54 175.87 2g46 h THR 45 N 0.60 0.25 -0.11 4.70 2.02 -0.92 -2.24 112.91 117.21 2g46 h THR 45 Ca 0.12 -1.22 0.03 0.00 0.77 0.00 0.00 66.41 66.11 2g46 h THR 45 Cb 0.45 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 2g46 h THR 45 CO 0.02 0.08 -0.54 0.00 0.37 0.00 0.00 175.52 175.45 2g46 h ALA 46 N -0.86 -0.91 -0.57 6.16 0.00 -0.79 0.19 119.26 122.49 2g46 h ALA 46 Ca -0.02 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 2g46 h ALA 46 Cb 0.33 1.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.96 2g46 h ALA 46 CO -0.01 -1.10 0.35 1.28 0.00 0.00 0.00 179.25 179.77 2g46 n LEU 47 N -5.42 5.08 0.08 0.00 7.99 -0.82 -4.57 117.00 119.34 2g46 n LEU 47 Ca -0.06 -2.67 0.19 0.00 -0.01 0.00 0.00 56.01 53.46 2g46 n LEU 47 Cb 0.38 -0.69 0.57 0.00 -0.11 0.00 0.00 43.42 43.57 2g46 n LEU 47 CO 0.09 0.79 1.17 1.05 -1.51 0.00 0.00 177.39 178.98 2g46 h GLU 48 N 0.74 0.00 -6.03 3.23 -0.00 -0.30 -3.37 114.58 108.85 2g46 h GLU 48 Ca 0.34 0.00 -0.55 0.00 -0.00 0.00 0.00 59.36 59.15 2g46 h GLU 48 Cb 2.04 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 30.71 2g46 h GLU 48 CO 0.62 0.00 -0.52 0.16 -0.00 0.00 0.00 179.01 179.27 2g46 s ASP 49 N -4.28 4.58 -1.16 3.06 1.47 -1.26 -4.57 116.67 114.51 2g46 s ASP 49 Ca -0.03 -0.89 0.00 0.00 1.18 0.00 0.00 52.55 52.81 2g46 s ASP 49 Cb 0.12 -0.61 0.00 0.00 -0.34 0.00 0.00 42.92 42.09 2g46 s ASP 49 CO 0.40 -0.41 0.00 -1.22 0.68 0.00 0.00 175.17 174.62 2g46 n TYR 50 N -1.20 -1.35 -4.01 2.11 4.01 -1.26 -4.92 117.16 110.53 2g46 n TYR 50 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 2g46 n TYR 50 Cb 0.63 -2.92 -0.15 0.00 -0.31 0.00 0.00 39.34 36.58 2g46 n TYR 50 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2g46 s LEU 51 N -5.66 2.80 -0.49 7.72 2.96 -1.26 -2.63 118.68 122.11 2g46 s LEU 51 Ca 0.00 -0.74 -0.22 0.00 -0.22 0.00 0.00 54.13 52.95 2g46 s LEU 51 Cb 0.00 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 45.12 2g46 s LEU 51 CO 0.00 -0.07 0.79 -0.36 -1.32 0.00 0.00 176.35 175.39 2g46 s PHE 52 N 1.33 2.94 0.15 5.38 0.40 0.92 -4.88 117.98 124.22 2g46 s PHE 52 Ca 0.02 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 2g46 s PHE 52 Cb -0.15 -3.74 -0.04 0.00 0.51 0.00 0.00 43.02 39.60 2g46 s PHE 52 CO -0.07 -1.11 0.11 0.45 0.70 0.00 0.00 175.22 175.31 2g46 s SER 53 N 2.46 5.47 0.07 1.36 0.15 -1.26 -1.15 113.70 120.80 2g46 s SER 53 Ca 0.26 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.80 2g46 s SER 53 Cb -0.14 -1.42 -0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2g46 s SER 53 CO 0.19 0.09 0.02 -2.11 1.20 0.00 0.00 173.24 172.64 2g46 n ARG 54 N -0.15 0.86 -2.67 5.44 1.85 -0.79 -4.93 116.66 116.27 2g46 n ARG 54 Ca -0.08 -0.55 -0.43 0.00 -1.00 0.00 0.00 57.85 55.78 2g46 n ARG 54 Cb 0.54 0.30 0.00 0.00 -1.05 0.00 0.00 32.46 32.25 2g46 n ARG 54 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2g46 n LYS 55 N -0.15 3.25 0.00 2.89 4.76 -1.26 -2.86 118.16 124.79 2g46 n LYS 55 Ca -0.01 -3.44 0.00 0.00 -2.87 0.00 0.00 58.31 51.99 2g46 n LYS 55 Cb 0.10 -3.36 0.00 0.00 -1.84 0.00 0.00 35.03 29.93 2g46 n LYS 55 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2g46 n ASN 56 N 7.50 0.00 -0.43 4.39 2.85 -1.26 -5.15 115.26 123.17 2g46 n ASN 56 Ca 0.45 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.92 2g46 n ASN 56 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -2.11 0.00 0.00 177.26 176.30 2g46 n MET 57 N 0.00 0.00 -3.70 1.20 0.00 -1.14 -5.00 117.12 108.48 2g46 n MET 57 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.44 2g46 n MET 57 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.05 2g46 n MET 57 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2g46 s SER 58 N 0.71 2.48 0.48 3.17 0.01 0.10 -1.88 113.70 118.77 2g46 s SER 58 Ca 0.00 -0.61 0.08 0.00 1.31 0.00 0.00 55.95 56.73 2g46 s SER 58 Cb 0.00 -0.45 0.03 0.00 0.21 0.00 0.00 66.02 65.81 2g46 s SER 58 CO 0.00 -0.30 0.58 0.00 0.41 0.00 0.00 173.24 173.93 2g46 s ALA 59 N 1.97 4.48 0.32 1.44 0.00 -0.30 -2.02 121.76 127.64 2g46 s ALA 59 Ca 0.01 -1.82 0.09 0.00 0.00 0.00 0.00 51.96 50.24 2g46 s ALA 59 Cb -0.16 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2g46 s ALA 59 CO -0.08 -0.46 0.09 1.41 0.00 0.00 0.00 175.76 176.72 2g46 s MET 60 N -4.39 2.33 -1.03 0.00 1.75 0.88 -0.05 119.30 118.78 2g46 s MET 60 Ca 0.53 -1.53 -0.19 0.00 -1.25 0.00 0.00 55.69 53.25 2g46 s MET 60 Cb -0.06 -2.15 0.10 0.00 2.84 0.00 0.00 34.83 35.56 2g46 s MET 60 CO 0.32 0.19 1.33 0.00 -0.65 0.00 0.00 175.02 176.21 2g46 s ALA 61 N -2.40 3.24 0.00 4.11 0.00 -1.08 -2.72 121.76 122.90 2g46 s ALA 61 Ca 0.35 -2.70 0.00 0.00 0.00 0.00 0.00 51.96 49.62 2g46 s ALA 61 Cb -0.03 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.82 2g46 s ALA 61 CO 0.22 -3.19 0.25 -0.11 0.00 0.00 0.00 175.76 172.93 2g46 n LEU 62 N 7.34 0.00 0.00 0.00 0.00 -1.05 -3.98 117.00 119.31 2g46 n LEU 62 Ca 0.31 0.25 0.00 0.00 0.00 0.00 0.00 56.01 56.57 2g46 n LEU 62 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.91 2g46 n LEU 62 CO 0.59 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.59 2g46 n GLY 63 N -0.43 -2.45 2.17 -3.96 0.00 -0.98 -4.56 105.19 94.99 2g46 n GLY 63 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 2g46 n GLY 63 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2g46 n PHE 64 N 0.00 0.62 0.04 1.61 3.72 -1.26 -4.25 117.46 117.94 2g46 n PHE 64 Ca 0.00 -1.71 0.02 0.00 -0.05 0.00 0.00 57.45 55.71 2g46 n PHE 64 Cb 0.00 -1.57 -0.07 0.00 -0.94 0.00 0.00 39.48 36.90 2g46 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g46 n GLY 65 N 2.02 -1.24 0.12 1.37 0.00 -1.26 -4.22 105.19 101.98 2g46 n GLY 65 Ca 0.46 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 2g46 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g46 n ALA 66 N -2.36 1.09 0.32 4.61 0.00 -1.26 -3.98 120.51 118.94 2g46 n ALA 66 Ca -0.08 -0.65 0.19 0.00 0.00 0.00 0.00 53.44 52.90 2g46 n ALA 66 Cb 0.78 -0.73 1.02 0.00 0.00 0.00 0.00 19.45 20.52 2g46 n ALA 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2g46 h ILE 67 N 0.05 0.08 -2.16 0.00 -0.00 -1.84 -3.42 117.51 110.21 2g46 h ILE 67 Ca -0.38 0.00 -0.59 0.00 -0.00 0.00 0.00 64.86 63.89 2g46 h ILE 67 Cb 2.03 0.86 0.02 0.00 -0.00 0.00 0.00 36.82 39.73 2g46 h ILE 67 CO 0.08 0.00 1.09 0.49 -0.00 0.00 0.00 178.15 179.82 2g46 n PHE 68 N -3.12 2.39 -2.41 0.16 3.72 -1.26 -4.01 117.46 112.92 2g46 n PHE 68 Ca -0.02 -0.06 -0.25 0.00 -0.05 0.00 0.00 57.45 57.07 2g46 n PHE 68 Cb 0.22 -2.69 0.13 0.00 -0.94 0.00 0.00 39.48 36.20 2g46 n PHE 68 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2g46 s ASN 69 N 3.68 4.07 -0.39 4.37 0.01 -1.26 -4.78 114.94 120.63 2g46 s ASN 69 Ca 0.90 -0.18 -0.16 0.00 -0.71 0.00 0.00 52.86 52.71 2g46 s ASN 69 Cb -0.62 -0.13 0.01 0.00 0.41 0.00 0.00 41.25 40.92 2g46 s ASN 69 CO 0.47 -2.06 0.36 -2.28 -1.51 0.00 0.00 177.10 172.08 2g46 s HIS 70 N -3.33 3.20 0.23 2.20 2.46 -1.26 -3.07 115.29 115.72 2g46 s HIS 70 Ca 0.68 -0.31 0.10 0.00 0.47 0.00 0.00 55.06 56.00 2g46 s HIS 70 Cb -0.05 -2.71 -0.04 0.00 -0.13 0.00 0.00 32.58 29.65 2g46 s HIS 70 CO 0.46 -0.56 -0.12 0.45 -2.47 0.00 0.00 174.74 172.50 2g46 s SER 71 N 1.75 4.05 0.44 9.88 0.15 -1.26 -4.97 113.70 123.73 2g46 s SER 71 Ca 0.10 -0.75 0.24 0.00 0.70 0.00 0.00 55.95 56.24 2g46 s SER 71 Cb -0.17 -0.58 0.86 0.00 -1.71 0.00 0.00 66.02 64.42 2g46 s SER 71 CO 0.12 0.07 1.80 0.11 1.20 0.00 0.00 173.24 176.53 2g46 h LYS 72 N 2.54 0.00 -2.30 5.44 1.79 -2.02 -3.35 116.57 118.68 2g46 h LYS 72 Ca -0.44 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.44 2g46 h LYS 72 Cb 1.23 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.48 2g46 h LYS 72 CO 0.56 0.20 -0.87 -0.25 -1.08 0.00 0.00 179.45 178.01 2g46 n ASP 73 N -3.31 1.31 -4.56 0.86 8.00 -1.26 -4.92 116.55 112.67 2g46 n ASP 73 Ca 0.01 -2.88 -0.27 0.00 0.71 0.00 0.00 54.79 52.36 2g46 n ASP 73 Cb 0.45 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2g46 s PRO 74 N -1.25 2.16 0.19 -0.24 0.04 -1.26 -4.77 135.00 129.88 2g46 s PRO 74 Ca 0.34 0.51 0.22 0.00 0.04 0.00 0.00 61.00 62.10 2g46 s PRO 74 Cb 0.10 -4.74 0.89 0.00 0.04 0.00 0.00 34.50 30.80 2g46 s PRO 74 CO -0.12 -3.59 1.66 0.09 0.04 0.00 0.00 177.00 175.09 2g46 n ASN 75 N 15.71 0.51 -4.20 6.66 5.03 -1.26 -4.53 115.26 133.18 2g46 n ASN 75 Ca 0.38 0.62 -0.34 0.00 0.87 0.00 0.00 54.58 56.11 2g46 n ASN 75 Cb 0.48 -0.73 -0.15 0.00 -1.02 0.00 0.00 39.78 38.37 2g46 n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2g46 s ALA 76 N -3.23 2.63 0.52 5.41 0.00 -1.23 0.23 121.76 126.08 2g46 s ALA 76 Ca 0.05 -1.32 0.07 0.00 0.00 0.00 0.00 51.96 50.76 2g46 s ALA 76 Cb 0.10 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.72 2g46 s ALA 76 CO 0.38 -0.59 0.71 0.50 0.00 0.00 0.00 175.76 176.75 2g46 s ARG 77 N 1.35 2.51 0.10 0.00 3.52 -0.46 -3.92 118.95 122.05 2g46 s ARG 77 Ca 0.03 -1.31 0.10 0.00 -0.13 0.00 0.00 55.73 54.42 2g46 s ARG 77 Cb -0.15 -2.65 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2g46 s ARG 77 CO -0.07 -0.64 -0.26 -3.38 -0.81 0.00 0.00 175.30 170.15 2g46 s HIS 78 N -2.58 2.34 -0.01 5.12 -3.43 -1.26 -0.93 115.29 114.54 2g46 s HIS 78 Ca 0.59 -0.38 0.05 0.00 -0.80 0.00 0.00 55.06 54.52 2g46 s HIS 78 Cb -0.08 -1.31 -0.01 0.00 -1.43 0.00 0.00 32.58 29.75 2g46 s HIS 78 CO 0.37 0.27 -0.16 -2.00 -2.00 0.00 0.00 174.74 171.22 2g46 s GLU 79 N -1.79 1.31 -0.11 -0.38 2.12 0.85 -4.93 118.70 115.77 2g46 s GLU 79 Ca 0.14 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.91 2g46 s GLU 79 Cb -0.10 -1.25 -0.02 0.00 0.26 0.00 0.00 34.13 33.02 2g46 s GLU 79 CO 0.05 0.33 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.46 2g46 s LEU 80 N -0.32 2.79 0.00 2.70 1.43 -1.26 -0.60 118.68 123.42 2g46 s LEU 80 Ca 0.05 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2g46 s LEU 80 Cb -0.07 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2g46 s LEU 80 CO -0.00 0.22 0.00 0.35 0.23 0.00 0.00 176.35 177.14 2g46 n THR 81 N 3.19 0.00 -0.94 5.49 -2.24 -0.14 -4.63 114.28 115.02 2g46 n THR 81 Ca -0.18 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.32 2g46 n THR 81 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2g46 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g46 n ALA 82 N -2.76 5.71 0.00 6.98 0.00 -1.26 -4.66 120.51 124.52 2g46 n ALA 82 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.92 2g46 n ALA 82 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.33 2g46 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g46 n GLY 83 N 3.69 -0.54 1.14 0.00 0.00 -1.26 -4.99 105.19 103.22 2g46 n GLY 83 Ca 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 2g46 n GLY 83 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2g46 n LEU 84 N 0.00 0.06 -0.12 0.99 7.94 -1.26 -4.91 117.00 119.70 2g46 n LEU 84 Ca 0.00 -1.83 -0.15 0.00 -1.11 0.00 0.00 56.01 52.93 2g46 n LEU 84 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 2g46 n LEU 84 CO 0.00 0.90 -1.26 0.29 -1.11 0.00 0.00 177.39 176.20 2g46 n LYS 85 N 0.22 0.68 -4.12 1.96 5.02 -1.26 -4.40 118.16 116.27 2g46 n LYS 85 Ca -0.08 0.09 -0.15 0.00 -2.02 0.00 0.00 58.31 56.16 2g46 n LYS 85 Cb 0.88 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.26 2g46 n LYS 85 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2g46 s ARG 86 N -2.49 0.50 -0.05 1.97 3.52 -1.26 0.24 118.95 121.37 2g46 s ARG 86 Ca -0.26 -0.50 -0.15 0.00 -0.13 0.00 0.00 55.73 54.69 2g46 s ARG 86 Cb 0.08 -0.37 0.03 0.00 -1.56 0.00 0.00 34.95 33.13 2g46 s ARG 86 CO 0.66 0.08 0.34 0.00 -0.81 0.00 0.00 175.30 175.58 2g46 s MET 87 N -0.91 0.62 0.29 5.12 0.23 -0.97 -0.96 119.30 122.72 2g46 s MET 87 Ca -0.04 0.03 0.09 0.00 -1.03 0.00 0.00 55.69 54.74 2g46 s MET 87 Cb -0.06 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.47 2g46 s MET 87 CO 0.00 -0.15 0.04 1.03 -2.03 0.00 0.00 175.02 173.91 2g46 s ARG 88 N -0.88 2.30 -0.13 3.16 3.00 0.23 -2.51 118.95 124.12 2g46 s ARG 88 Ca -0.10 -1.48 -0.02 0.00 0.00 0.00 0.00 55.73 54.13 2g46 s ARG 88 Cb -0.04 -2.14 -0.03 0.00 0.00 0.00 0.00 34.95 32.74 2g46 s ARG 88 CO 0.03 0.27 -0.05 0.42 0.00 0.00 0.00 175.30 175.98 2g46 s ILE 89 N -2.37 3.82 0.45 1.52 1.01 -1.05 -0.11 121.20 124.47 2g46 s ILE 89 Ca 0.34 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2g46 s ILE 89 Cb -0.05 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.79 2g46 s ILE 89 CO 0.21 0.52 0.08 0.49 0.00 0.00 0.00 174.94 176.24 2g46 n PHE 90 N 3.21 0.65 -3.91 3.97 3.01 -0.10 0.16 117.46 124.44 2g46 n PHE 90 Ca -0.18 -2.14 -0.30 0.00 1.01 0.00 0.00 57.45 55.84 2g46 n PHE 90 Cb 0.53 -0.31 -0.15 0.00 -0.01 0.00 0.00 39.48 39.53 2g46 n PHE 90 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2g46 s THR 91 N -2.54 1.55 0.08 4.37 -4.23 -1.25 -1.35 115.64 112.26 2g46 s THR 91 Ca 0.06 -1.49 0.30 0.00 -1.18 0.00 0.00 61.69 59.38 2g46 s THR 91 Cb -0.00 -1.95 0.30 0.00 1.34 0.00 0.00 72.50 72.18 2g46 s THR 91 CO 0.04 -0.32 1.91 0.16 -0.54 0.00 0.00 174.62 175.86 2g46 h ILE 92 N 6.62 0.00 -3.68 2.99 3.07 -0.53 -2.59 117.51 123.39 2g46 h ILE 92 Ca -0.14 -0.02 -0.08 0.00 1.55 0.00 0.00 64.86 66.17 2g46 h ILE 92 Cb 1.05 0.69 -0.14 0.00 -0.27 0.00 0.00 36.82 38.15 2g46 h ILE 92 CO 0.45 0.00 -0.29 -1.59 -1.05 0.00 0.00 178.15 175.66 2g46 s LYS 93 N -3.74 0.89 0.18 0.16 0.00 -1.21 -4.84 119.74 111.18 2g46 s LYS 93 Ca -0.03 -0.87 -0.32 0.00 0.00 0.00 0.00 55.97 54.76 2g46 s LYS 93 Cb 0.09 0.37 -0.11 0.00 0.00 0.00 0.00 37.83 38.18 2g46 s LYS 93 CO 0.28 -0.30 1.61 -2.14 0.00 0.00 0.00 175.35 174.81 2g46 s PRO 94 N -3.75 4.19 0.20 1.78 0.02 -1.26 -4.38 135.00 131.80 2g46 s PRO 94 Ca 0.04 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.51 2g46 s PRO 94 Cb 0.04 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 2g46 s PRO 94 CO -0.11 -0.65 0.35 0.42 -0.33 0.00 0.00 177.00 176.68 2g46 s ILE 95 N 1.14 5.27 0.21 2.83 1.01 -0.31 -4.91 121.20 126.44 2g46 s ILE 95 Ca 0.71 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.77 2g46 s ILE 95 Cb -0.46 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2g46 s ILE 95 CO 0.32 -0.20 0.08 0.00 0.00 0.00 0.00 174.94 175.14 2g46 s ALA 96 N -1.87 3.38 -0.38 9.38 0.00 -1.20 -0.07 121.76 131.00 2g46 s ALA 96 Ca 0.36 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.63 2g46 s ALA 96 Cb -0.10 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 2g46 s ALA 96 CO 0.29 0.37 2.23 0.42 0.00 0.00 0.00 175.76 179.08 2g46 s ILE 97 N -1.98 3.08 0.00 0.00 1.09 -0.95 -1.88 121.20 120.56 2g46 s ILE 97 Ca 0.31 0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.92 2g46 s ILE 97 Cb -0.08 -3.15 0.00 0.00 -1.06 0.00 0.00 42.46 38.17 2g46 s ILE 97 CO 0.22 -0.12 0.00 0.61 -0.10 0.00 0.00 174.94 175.55 2g46 n GLY 98 N 5.83 1.90 3.89 6.18 0.00 0.24 -4.91 105.19 118.32 2g46 n GLY 98 Ca 0.31 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 2g46 n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2g46 s GLU 99 N -0.58 3.24 -0.30 1.61 -6.30 -0.79 -4.86 118.70 110.72 2g46 s GLU 99 Ca 0.00 -0.72 -0.21 0.00 -2.50 0.00 0.00 54.97 51.54 2g46 s GLU 99 Cb 0.00 -2.84 -0.01 0.00 0.00 0.00 0.00 34.13 31.29 2g46 s GLU 99 CO 0.00 0.50 0.68 -2.00 0.02 0.00 0.00 175.26 174.46 2g46 s GLU 100 N -3.28 3.93 -0.16 4.30 -6.30 -1.26 -0.08 118.70 115.85 2g46 s GLU 100 Ca 0.33 0.40 -0.14 0.00 -2.50 0.00 0.00 54.97 53.06 2g46 s GLU 100 Cb -0.10 -3.72 -0.05 0.00 0.00 0.00 0.00 34.13 30.26 2g46 s GLU 100 CO 0.27 -0.60 0.31 0.42 0.02 0.00 0.00 175.26 175.68 2g46 s ILE 101 N 2.71 5.30 0.26 -3.70 1.01 0.16 -4.75 121.20 122.19 2g46 s ILE 101 Ca 0.27 0.58 -0.15 0.00 0.00 0.00 0.00 60.65 61.35 2g46 s ILE 101 Cb -0.15 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2g46 s ILE 101 CO 0.12 0.38 0.56 0.42 0.00 0.00 0.00 174.94 176.42 2g46 s THR 102 N 0.49 0.00 0.00 2.92 -4.23 -1.26 -2.74 115.64 110.83 2g46 s THR 102 Ca 0.17 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2g46 s THR 102 Cb -0.13 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2g46 s THR 102 CO 0.04 0.00 0.59 2.30 -0.54 0.00 0.00 174.62 177.01 2g46 n ILE 103 N -0.41 0.35 -3.69 2.99 -6.64 -1.25 -3.48 119.36 107.23 2g46 n ILE 103 Ca -0.02 -0.45 0.00 0.00 -1.77 0.00 0.00 62.75 60.50 2g46 n ILE 103 Cb 0.61 0.99 0.00 0.00 -1.44 0.00 0.00 39.64 39.80 2g46 n ILE 103 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 2g46 n SER 104 N -0.17 -0.42 0.00 7.28 3.41 -1.17 -4.85 113.62 117.69 2g46 n SER 104 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2g46 n SER 104 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2g46 n SER 104 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2g46 n TYR 105 N 0.00 0.00 -2.63 7.33 4.01 -1.26 -4.88 117.16 119.73 2g46 n TYR 105 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2g46 n TYR 105 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2g46 n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2g46 n GLY 106 N 1.99 1.39 1.18 2.72 0.00 -1.26 -4.97 105.19 106.23 2g46 n GLY 106 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.45 2g46 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g46 n ASP 107 N 0.00 3.34 0.05 1.61 8.00 -1.26 -3.84 116.55 124.44 2g46 n ASP 107 Ca 0.00 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 53.07 2g46 n ASP 107 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 2g46 n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2g46 n ASP 108 N 0.37 0.00 -4.65 -2.24 -0.08 -1.26 -4.17 116.55 104.51 2g46 n ASP 108 Ca 0.14 0.15 -0.42 0.00 -1.51 0.00 0.00 54.79 53.16 2g46 n ASP 108 Cb 0.70 0.11 -0.03 0.00 2.34 0.00 0.00 41.12 44.24 2g46 n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2g46 n TYR 109 N -2.89 2.45 0.00 -0.67 9.36 -1.26 -4.36 117.16 119.79 2g46 n TYR 109 Ca 0.00 -0.36 0.00 0.00 3.32 0.00 0.00 57.90 60.86 2g46 n TYR 109 Cb 0.05 -2.80 0.00 0.00 -0.63 0.00 0.00 39.34 35.96 2g46 n TYR 109 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2g46 n TRP 110 N 8.06 0.00 0.00 2.98 7.02 -1.26 -4.37 117.44 129.87 2g46 n TRP 110 Ca 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.69 2g46 n TRP 110 Cb 0.41 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.30 2g46 n TRP 110 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2g46 n LEU 111 N 0.00 0.00 0.00 -0.99 7.94 -1.26 -5.03 117.00 117.66 2g46 n LEU 111 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2g46 n LEU 111 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2g46 n LEU 111 CO 0.00 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.08 2g46 n SER 112 N 0.00 0.00 -4.06 1.96 7.64 -1.25 -4.22 113.62 113.70 2g46 n SER 112 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 2g46 n SER 112 Cb 0.00 0.07 -0.14 0.00 -1.01 0.00 0.00 64.21 63.13 2g46 n SER 112 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2g46 s ARG 113 N -1.37 0.75 -1.35 1.43 1.81 -1.26 -4.06 118.95 114.91 2g46 s ARG 113 Ca 0.00 -0.49 -0.15 0.00 -1.72 0.00 0.00 55.73 53.37 2g46 s ARG 113 Cb 0.00 -0.71 0.08 0.00 -0.45 0.00 0.00 34.95 33.86 2g46 s ARG 113 CO 0.00 0.18 1.90 -0.35 -0.68 0.00 0.00 175.30 176.36 2g46 n PRO 114 N 2.44 3.12 -3.66 3.54 -0.04 -1.26 -4.86 135.00 134.27 2g46 n PRO 114 Ca -0.16 -3.10 -0.07 0.00 -0.04 0.00 0.00 63.50 60.14 2g46 n PRO 114 Cb 0.56 -3.34 -0.08 0.00 -0.04 0.00 0.00 33.50 30.61 2g46 n PRO 114 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2g46 s ARG 115 N 3.32 0.50 0.05 0.54 1.70 -1.26 -5.02 118.95 118.77 2g46 s ARG 115 Ca 0.49 1.14 0.00 0.00 -0.47 0.00 0.00 55.73 56.90 2g46 s ARG 115 Cb 0.07 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 2g46 s ARG 115 CO 0.00 -0.19 0.00 1.28 -1.08 0.00 0.00 175.30 175.31 2g46 n LEU 116 N 4.91 0.35 -0.04 -1.89 7.99 -1.26 -4.96 117.00 122.09 2g46 n LEU 116 Ca -0.15 0.07 -0.05 0.00 -0.01 0.00 0.00 56.01 55.87 2g46 n LEU 116 Cb 0.53 -0.09 -0.05 0.00 -0.11 0.00 0.00 43.42 43.70 2g46 n LEU 116 CO 0.00 -0.60 -0.78 0.41 -1.51 0.00 0.00 177.39 174.92 2g46 n THR 117 N -2.87 0.54 -1.30 -5.08 -1.04 -1.26 -5.11 114.28 98.16 2g46 n THR 117 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2g46 n THR 117 Cb 0.00 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 2g46 n THR 117 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2g46 n GLN 118 N -2.48 0.00 0.00 -2.82 7.27 -1.26 -5.34 117.38 112.75 2g46 n GLN 118 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 2g46 n GLN 118 Cb 0.72 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.37 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42