#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k23 s LYS 3 N 0.00 4.65 0.15 5.31 2.20 -1.26 -4.42 119.74 126.38 1k23 s LYS 3 Ca 0.00 1.31 0.10 0.00 -0.36 0.00 0.00 55.97 57.02 1k23 s LYS 3 Cb 0.00 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 1k23 s LYS 3 CO 0.00 0.43 -0.23 0.42 -0.36 0.00 0.00 175.35 175.61 1k23 s ILE 4 N -1.37 2.07 -0.10 5.43 1.01 -0.16 -4.51 121.20 123.57 1k23 s ILE 4 Ca 0.44 -1.84 0.03 0.00 0.00 0.00 0.00 60.65 59.27 1k23 s ILE 4 Cb -0.22 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1k23 s ILE 4 CO 0.27 -0.11 -0.20 -0.22 0.00 0.00 0.00 174.94 174.68 1k23 s LEU 5 N -2.38 2.33 -0.11 2.97 2.96 -1.22 -2.43 118.68 120.80 1k23 s LEU 5 Ca 0.15 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1k23 s LEU 5 Cb -0.08 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1k23 s LEU 5 CO 0.07 0.18 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.50 1k23 s ILE 6 N 0.23 2.88 0.15 6.68 1.01 -0.30 -0.94 121.20 130.90 1k23 s ILE 6 Ca -0.13 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.56 1k23 s ILE 6 Cb -0.16 -2.18 0.07 0.00 0.01 0.00 0.00 42.46 40.19 1k23 s ILE 6 CO 0.07 0.54 0.58 0.72 0.00 0.00 0.00 174.94 176.85 1k23 s PHE 7 N 0.17 -0.50 0.00 3.97 -0.12 -0.90 -0.27 117.98 120.32 1k23 s PHE 7 Ca -0.09 0.31 0.00 0.00 -0.05 0.00 0.00 56.93 57.10 1k23 s PHE 7 Cb -0.15 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 1k23 s PHE 7 CO 0.05 -0.82 0.00 0.41 -0.05 0.00 0.00 175.22 174.81 1k23 n GLY 8 N -0.31 1.85 3.28 1.99 0.00 -1.25 -2.12 105.19 108.64 1k23 n GLY 8 Ca -0.17 -2.04 -0.26 0.00 0.00 0.00 0.00 46.02 43.54 1k23 n GLY 8 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1k23 n HIS 9 N -0.14 -3.91 -1.92 1.61 1.44 -1.26 -4.76 115.22 106.29 1k23 n HIS 9 Ca 0.00 -0.97 -0.29 0.00 -2.01 0.00 0.00 57.72 54.45 1k23 n HIS 9 Cb 0.00 -0.95 0.12 0.00 0.12 0.00 0.00 29.99 29.27 1k23 n HIS 9 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1k23 s GLN 10 N -5.41 1.57 -1.11 -1.40 -0.21 -0.21 -4.06 119.66 108.82 1k23 s GLN 10 Ca 0.65 -0.05 -0.24 0.00 0.02 0.00 0.00 55.36 55.74 1k23 s GLN 10 Cb -0.04 -1.92 0.02 0.00 1.00 0.00 0.00 33.01 32.07 1k23 s GLN 10 CO 0.47 -1.84 0.72 0.09 -2.12 0.00 0.00 175.29 172.62 1k23 n ASN 11 N -3.45 -4.84 -4.67 5.90 3.02 -1.26 -4.74 115.26 105.22 1k23 n ASN 11 Ca 0.10 -1.10 -0.48 0.00 -0.03 0.00 0.00 54.58 53.06 1k23 n ASN 11 Cb 0.61 -2.44 -0.05 0.00 -0.61 0.00 0.00 39.78 37.28 1k23 n ASN 11 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1k23 n PRO 12 N -4.28 2.05 -2.87 3.52 -0.04 -1.26 -5.03 135.00 127.09 1k23 n PRO 12 Ca -0.13 0.75 -0.19 0.00 -0.04 0.00 0.00 63.50 63.89 1k23 n PRO 12 Cb 0.59 -2.55 0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1k23 n PRO 12 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1k23 s ASP 13 N 2.81 5.51 0.66 3.54 3.84 -1.26 -4.53 116.67 127.24 1k23 s ASP 13 Ca 0.88 -0.18 0.43 0.00 -0.00 0.00 0.00 52.55 53.68 1k23 s ASP 13 Cb -0.73 -0.84 2.35 0.00 -1.38 0.00 0.00 42.92 42.33 1k23 s ASP 13 CO 0.48 -0.91 2.34 0.74 -0.00 0.00 0.00 175.17 177.82 1k23 h THR 14 N 0.38 0.04 0.00 2.11 2.02 -1.96 -1.59 112.91 113.91 1k23 h THR 14 Ca -0.42 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 1k23 h THR 14 Cb 1.28 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1k23 h THR 14 CO 0.49 0.00 -0.24 -0.78 0.37 0.00 0.00 175.52 175.36 1k23 h ASP 15 N 0.00 0.21 -0.37 4.18 -0.00 -1.93 -1.93 116.42 116.58 1k23 h ASP 15 Ca 0.00 -0.79 0.01 0.00 -0.00 0.00 0.00 57.03 56.26 1k23 h ASP 15 Cb 0.05 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.29 1k23 h ASP 15 CO -0.00 0.97 0.25 0.74 -0.00 0.00 0.00 179.24 181.20 1k23 h THR 16 N -0.53 1.07 0.00 2.25 2.02 -1.65 0.83 112.91 116.90 1k23 h THR 16 Ca -0.03 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1k23 h THR 16 Cb 1.01 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1k23 h THR 16 CO 0.05 0.09 -0.21 0.40 0.37 0.00 0.00 175.52 176.21 1k23 h ILE 17 N 0.47 0.88 -0.38 3.11 1.08 -1.48 -3.27 117.51 117.92 1k23 h ILE 17 Ca 0.14 -1.72 -0.03 0.00 -0.39 0.00 0.00 64.86 62.86 1k23 h ILE 17 Cb -0.00 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 1k23 h ILE 17 CO -0.03 0.30 0.12 0.00 -0.69 0.00 0.00 178.15 177.85 1k23 h SER 19 N 0.47 0.13 -0.37 0.00 0.02 -1.03 0.27 113.55 113.04 1k23 h SER 19 Ca 0.12 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1k23 h SER 19 Cb 0.26 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1k23 h SER 19 CO -0.00 0.29 -0.05 0.00 -1.14 0.00 0.00 176.83 175.92 1k23 h ALA 20 N 1.73 0.51 -0.38 3.77 0.00 -1.56 -0.90 119.26 122.44 1k23 h ALA 20 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1k23 h ALA 20 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1k23 h ALA 20 CO 0.02 0.33 0.01 0.82 0.00 0.00 0.00 179.25 180.43 1k23 h ILE 21 N 0.50 1.26 0.40 0.00 2.04 -0.90 -2.62 117.51 118.18 1k23 h ILE 21 Ca 0.10 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1k23 h ILE 21 Cb 0.55 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1k23 h ILE 21 CO 0.03 0.33 -0.19 0.00 0.00 0.00 0.00 178.15 178.31 1k23 h ALA 22 N 0.88 -0.54 0.00 1.87 0.00 -0.36 -2.35 119.26 118.75 1k23 h ALA 22 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1k23 h ALA 22 Cb 0.45 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1k23 h ALA 22 CO 0.02 -0.79 -0.24 -0.92 0.00 0.00 0.00 179.25 177.31 1k23 h TYR 23 N -0.56 0.00 -0.45 0.00 3.20 -1.23 -1.38 116.97 116.55 1k23 h TYR 23 Ca -0.06 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.69 1k23 h TYR 23 Cb 0.42 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1k23 h TYR 23 CO -0.04 0.24 -0.22 0.00 -1.64 0.00 0.00 178.16 176.49 1k23 h ALA 24 N 1.76 0.74 0.49 1.82 0.00 -1.33 0.02 119.26 122.76 1k23 h ALA 24 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1k23 h ALA 24 Cb 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1k23 h ALA 24 CO 0.03 0.66 -0.23 0.22 0.00 0.00 0.00 179.25 179.93 1k23 h ASP 25 N 0.80 -0.55 -0.60 0.00 -0.00 -0.74 0.89 116.42 116.22 1k23 h ASP 25 Ca 0.10 0.01 0.12 0.00 -0.00 0.00 0.00 57.03 57.26 1k23 h ASP 25 Cb 0.78 0.14 -0.09 0.00 -0.00 0.00 0.00 39.33 40.17 1k23 h ASP 25 CO 0.07 -0.38 0.09 0.25 -0.00 0.00 0.00 179.24 179.27 1k23 h LEU 26 N -0.67 -0.07 -0.45 2.28 6.46 -1.16 0.15 115.31 121.84 1k23 h LEU 26 Ca -0.07 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1k23 h LEU 26 Cb 0.51 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 1k23 h LEU 26 CO 0.11 -0.02 0.29 0.11 -0.62 0.00 0.00 178.44 178.30 1k23 h LYS 27 N 0.22 0.60 -0.60 1.25 1.79 -0.71 -2.13 116.57 116.99 1k23 h LYS 27 Ca 0.32 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.66 1k23 h LYS 27 Cb 0.48 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1k23 h LYS 27 CO -0.43 0.41 0.06 -0.91 -1.08 0.00 0.00 179.45 177.50 1k23 h ASN 28 N 0.60 0.99 0.32 0.86 2.35 0.38 -1.65 115.58 119.42 1k23 h ASN 28 Ca 0.16 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1k23 h ASN 28 Cb -0.04 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.06 1k23 h ASN 28 CO -0.03 1.02 0.00 0.11 -1.65 0.00 0.00 177.43 176.88 1k23 h LYS 29 N 0.92 0.00 -0.65 0.81 1.79 -0.43 -0.36 116.57 118.66 1k23 h LYS 29 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1k23 h LYS 29 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1k23 h LYS 29 CO 0.02 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.67 1k23 n LEU 30 N -2.80 3.83 0.00 2.94 4.77 -0.68 -4.93 117.00 120.13 1k23 n LEU 30 Ca -0.01 -1.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 1k23 n LEU 30 Cb 0.14 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1k23 n LEU 30 CO 0.19 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1k23 n GLY 31 N 1.33 0.80 4.00 -0.72 0.00 -0.14 -5.06 105.19 105.40 1k23 n GLY 31 Ca 0.22 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1k23 n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k23 s PHE 32 N -2.00 1.45 -0.67 1.61 0.40 -0.83 -5.01 117.98 112.94 1k23 s PHE 32 Ca 0.00 -0.76 0.04 0.00 -0.60 0.00 0.00 56.93 55.61 1k23 s PHE 32 Cb 0.00 -2.14 0.16 0.00 0.51 0.00 0.00 43.02 41.55 1k23 s PHE 32 CO 0.00 -1.00 0.45 1.21 0.70 0.00 0.00 175.22 176.58 1k23 s ASN 33 N -4.58 4.80 0.14 1.36 2.47 -1.26 -4.38 114.94 113.50 1k23 s ASN 33 Ca 0.55 -3.57 0.10 0.00 0.42 0.00 0.00 52.86 50.36 1k23 s ASN 33 Cb -0.05 -1.67 -0.04 0.00 -1.45 0.00 0.00 41.25 38.04 1k23 s ASN 33 CO 0.35 -0.14 -0.21 0.00 -3.72 0.00 0.00 177.10 173.37 1k23 s ALA 34 N -1.07 2.58 -0.04 1.71 0.00 -1.26 -0.98 121.76 122.69 1k23 s ALA 34 Ca 0.23 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1k23 s ALA 34 Cb -0.11 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1k23 s ALA 34 CO -0.11 0.53 -0.04 -2.00 0.00 0.00 0.00 175.76 174.13 1k23 s GLU 35 N -2.30 0.75 0.25 0.00 2.12 -1.02 -4.90 118.70 113.60 1k23 s GLU 35 Ca 0.18 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.11 1k23 s GLU 35 Cb -0.10 -0.77 -0.09 0.00 0.26 0.00 0.00 34.13 33.44 1k23 s GLU 35 CO 0.09 -0.06 1.11 -2.14 -0.54 0.00 0.00 175.26 173.72 1k23 s PRO 36 N 0.81 4.61 0.03 4.30 0.02 -1.26 -1.16 135.00 142.36 1k23 s PRO 36 Ca -0.11 1.80 -0.04 0.00 0.02 0.00 0.00 61.00 62.67 1k23 s PRO 36 Cb -0.13 -3.21 -0.02 0.00 0.02 0.00 0.00 34.50 31.15 1k23 s PRO 36 CO 0.00 0.14 0.05 0.08 -0.33 0.00 0.00 177.00 176.95 1k23 s VAL 37 N -0.82 0.14 0.18 3.83 1.01 0.62 -3.99 120.40 121.37 1k23 s VAL 37 Ca 0.47 -1.13 0.11 0.00 0.00 0.00 0.00 61.98 61.42 1k23 s VAL 37 Cb -0.32 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1k23 s VAL 37 CO 0.39 -0.63 -0.24 0.00 0.00 0.00 0.00 175.10 174.63 1k23 s ARG 38 N -2.49 1.53 0.00 2.72 1.70 -0.68 -4.20 118.95 117.53 1k23 s ARG 38 Ca -0.06 -1.49 0.16 0.00 -0.47 0.00 0.00 55.73 53.86 1k23 s ARG 38 Cb -0.02 -1.87 0.23 0.00 -0.57 0.00 0.00 34.95 32.73 1k23 s ARG 38 CO -0.04 0.41 1.12 1.28 -1.08 0.00 0.00 175.30 176.99 1k23 n LEU 39 N 0.34 2.66 0.00 -1.89 4.77 -1.26 -1.82 117.00 119.80 1k23 n LEU 39 Ca -0.13 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 1k23 n LEU 39 Cb 0.56 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1k23 n LEU 39 CO 0.29 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1k23 n GLY 40 N 0.91 2.52 3.78 -0.72 0.00 -1.26 -4.77 105.19 105.65 1k23 n GLY 40 Ca 0.12 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1k23 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k23 s GLN 41 N -0.35 4.46 -0.31 1.61 1.11 -1.26 -4.92 119.66 120.01 1k23 s GLN 41 Ca 0.00 1.37 -0.22 0.00 0.01 0.00 0.00 55.36 56.52 1k23 s GLN 41 Cb 0.00 -2.71 -0.00 0.00 -1.01 0.00 0.00 33.01 29.29 1k23 s GLN 41 CO 0.00 0.16 0.73 0.08 0.01 0.00 0.00 175.29 176.27 1k23 s VAL 42 N -1.65 4.84 0.99 1.09 1.01 -1.26 -4.50 120.40 120.93 1k23 s VAL 42 Ca 0.53 1.04 -0.13 0.00 0.00 0.00 0.00 61.98 63.42 1k23 s VAL 42 Cb -0.19 -4.10 0.19 0.00 0.00 0.00 0.00 36.38 32.28 1k23 s VAL 42 CO 0.24 -0.22 1.12 0.54 0.00 0.00 0.00 175.10 176.78 1k23 s ASN 43 N 1.64 2.71 0.29 3.32 2.20 -1.26 -4.74 114.94 119.10 1k23 s ASN 43 Ca 0.30 0.99 0.00 0.00 -0.94 0.00 0.00 52.86 53.21 1k23 s ASN 43 Cb -0.14 -1.56 0.50 0.00 -2.00 0.00 0.00 41.25 38.05 1k23 s ASN 43 CO 0.12 -3.05 1.89 1.23 -2.94 0.00 0.00 177.10 174.35 1k23 h GLY 44 N -1.84 1.44 0.97 0.45 0.00 -1.82 -0.60 103.07 101.67 1k23 h GLY 44 Ca -0.52 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 1k23 h GLY 44 CO 0.56 0.29 -0.09 -2.09 0.00 0.00 0.00 176.54 175.21 1k23 h GLU 45 N 1.07 -0.24 -0.59 4.80 4.81 -1.79 -1.77 114.58 120.87 1k23 h GLU 45 Ca 0.42 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.69 1k23 h GLU 45 Cb 0.25 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1k23 h GLU 45 CO -0.17 -0.13 0.37 1.15 -0.73 0.00 0.00 179.01 179.50 1k23 h THR 46 N -0.27 1.10 0.03 0.32 2.02 -1.84 -2.93 112.91 111.33 1k23 h THR 46 Ca -0.02 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.92 1k23 h THR 46 Cb 0.21 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1k23 h THR 46 CO 0.04 0.14 -0.47 1.56 0.37 0.00 0.00 175.52 177.16 1k23 h GLN 47 N 0.74 -0.61 -0.90 6.66 1.08 -0.84 -0.14 115.11 121.10 1k23 h GLN 47 Ca 0.23 0.04 0.25 0.00 -1.45 0.00 0.00 58.65 57.72 1k23 h GLN 47 Cb -0.02 0.14 -0.14 0.00 -0.05 0.00 0.00 27.48 27.40 1k23 h GLN 47 CO -0.08 -0.41 0.27 -0.92 -0.95 0.00 0.00 178.83 176.74 1k23 h TYR 48 N -0.64 0.41 -0.32 2.96 3.20 -1.14 0.22 116.97 121.67 1k23 h TYR 48 Ca 0.03 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 1k23 h TYR 48 Cb 0.69 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1k23 h TYR 48 CO -0.45 -0.22 -0.29 0.00 -1.64 0.00 0.00 178.16 175.56 1k23 h ALA 49 N 1.80 0.46 -0.38 1.82 0.00 -1.24 0.16 119.26 121.88 1k23 h ALA 49 Ca 0.58 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1k23 h ALA 49 Cb 1.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1k23 h ALA 49 CO -0.66 0.49 0.22 -0.07 0.00 0.00 0.00 179.25 179.23 1k23 h LEU 50 N 0.52 0.47 0.01 0.00 3.38 0.10 -2.56 115.31 117.23 1k23 h LEU 50 Ca 0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1k23 h LEU 50 Cb 0.87 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1k23 h LEU 50 CO 0.07 0.40 -0.00 0.44 0.09 0.00 0.00 178.44 179.45 1k23 h ASP 51 N 0.49 -0.01 -0.87 -0.43 3.32 -0.66 0.17 116.42 118.45 1k23 h ASP 51 Ca 0.14 -0.41 0.17 0.00 0.02 0.00 0.00 57.03 56.94 1k23 h ASP 51 Cb 0.03 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.48 1k23 h ASP 51 CO -0.02 0.41 0.43 0.22 -1.72 0.00 0.00 179.24 178.56 1k23 h TYR 52 N -0.42 0.74 -0.72 4.55 3.20 -0.63 -0.26 116.97 123.42 1k23 h TYR 52 Ca -0.00 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.73 1k23 h TYR 52 Cb 0.42 -0.19 -0.10 0.00 1.54 0.00 0.00 36.73 38.39 1k23 h TYR 52 CO 0.07 0.11 0.22 1.19 -1.64 0.00 0.00 178.16 178.11 1k23 n PHE 53 N -4.93 2.42 -3.89 -3.82 3.01 -0.97 -4.96 117.46 104.33 1k23 n PHE 53 Ca 0.19 -1.10 -0.38 0.00 1.01 0.00 0.00 57.45 57.16 1k23 n PHE 53 Cb 0.51 -0.66 0.03 0.00 -0.01 0.00 0.00 39.48 39.35 1k23 n PHE 53 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1k23 n LYS 54 N 0.02 -0.72 -5.01 -1.08 5.02 -0.11 -4.91 118.16 111.38 1k23 n LYS 54 Ca 0.39 0.31 -0.28 0.00 -2.02 0.00 0.00 58.31 56.70 1k23 n LYS 54 Cb 1.36 -3.11 -0.16 0.00 -0.02 0.00 0.00 35.03 33.10 1k23 n LYS 54 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1k23 s GLN 55 N -6.58 2.08 0.37 1.97 -1.52 0.57 -5.03 119.66 111.52 1k23 s GLN 55 Ca 0.43 -0.73 -0.27 0.00 -1.95 0.00 0.00 55.36 52.84 1k23 s GLN 55 Cb -0.20 -1.79 -0.09 0.00 -0.22 0.00 0.00 33.01 30.71 1k23 s GLN 55 CO 0.92 0.30 1.24 -2.00 -0.25 0.00 0.00 175.29 175.50 1k23 s GLU 56 N -0.05 4.17 -0.11 2.91 2.56 -1.26 -4.53 118.70 122.39 1k23 s GLU 56 Ca -0.04 2.03 -0.29 0.00 0.00 0.00 0.00 54.97 56.67 1k23 s GLU 56 Cb -0.12 -2.86 -0.04 0.00 2.00 0.00 0.00 34.13 33.11 1k23 s GLU 56 CO 0.03 -0.28 1.47 0.45 -0.56 0.00 0.00 175.26 176.37 1k23 s SER 57 N -0.82 6.80 0.31 -1.70 0.15 -1.26 -4.94 113.70 112.23 1k23 s SER 57 Ca 0.54 1.97 -0.27 0.00 0.70 0.00 0.00 55.95 58.89 1k23 s SER 57 Cb -0.35 -2.54 -0.14 0.00 -1.71 0.00 0.00 66.02 61.28 1k23 s SER 57 CO 0.46 -0.85 0.88 -0.81 1.20 0.00 0.00 173.24 174.12 1k23 n PRO 58 N 6.89 1.07 -1.67 5.44 -0.04 -1.26 -4.84 135.00 140.59 1k23 n PRO 58 Ca 0.16 0.38 -0.45 0.00 -0.04 0.00 0.00 63.50 63.54 1k23 n PRO 58 Cb 0.44 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 1k23 n PRO 58 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1k23 n ARG 59 N 0.67 2.11 -2.52 0.54 0.63 -1.26 -4.35 116.66 112.48 1k23 n ARG 59 Ca 0.11 0.76 -0.41 0.00 -0.92 0.00 0.00 57.85 57.39 1k23 n ARG 59 Cb 0.33 -2.47 -0.04 0.00 0.45 0.00 0.00 32.46 30.73 1k23 n ARG 59 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1k23 s LEU 60 N 0.45 4.53 0.03 6.15 2.96 -1.26 -1.68 118.68 129.86 1k23 s LEU 60 Ca 0.73 2.14 0.02 0.00 -0.22 0.00 0.00 54.13 56.79 1k23 s LEU 60 Cb -0.66 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.40 1k23 s LEU 60 CO 0.44 -0.16 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.56 1k23 s VAL 61 N -0.64 0.42 -0.08 1.68 1.01 -0.76 -4.93 120.40 117.10 1k23 s VAL 61 Ca 0.47 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1k23 s VAL 61 Cb -0.30 -0.48 -0.12 0.00 0.00 0.00 0.00 36.38 35.48 1k23 s VAL 61 CO 0.37 -0.32 0.05 -0.62 0.00 0.00 0.00 175.10 174.57 1k23 n GLU 62 N 1.76 2.30 -3.87 2.72 1.02 -1.26 -4.55 120.64 118.75 1k23 n GLU 62 Ca -0.21 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 56.83 1k23 n GLU 62 Cb 0.55 -1.24 -0.07 0.00 -0.02 0.00 0.00 31.44 30.66 1k23 n GLU 62 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1k23 s THR 63 N -2.27 0.13 0.00 2.62 -4.23 -1.26 -4.17 115.64 106.46 1k23 s THR 63 Ca -0.04 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1k23 s THR 63 Cb 0.03 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1k23 s THR 63 CO 0.38 -0.58 0.00 0.00 -0.54 0.00 0.00 174.62 173.88 1k23 n ALA 64 N -0.09 1.98 -0.38 3.99 0.00 -1.26 -4.74 120.51 120.01 1k23 n ALA 64 Ca -0.14 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.62 1k23 n ALA 64 Cb 0.63 0.32 0.63 0.00 0.00 0.00 0.00 19.45 21.03 1k23 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k23 h ALA 65 N 0.00 2.71 0.00 0.00 0.00 -1.84 0.41 119.26 120.55 1k23 h ALA 65 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1k23 h ALA 65 Cb 0.96 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1k23 h ALA 65 CO 0.00 -1.16 -0.22 -2.95 0.00 0.00 0.00 179.25 174.92 1k23 h ASN 66 N 0.18 0.00 0.00 0.00 7.08 -1.96 -3.35 115.58 117.53 1k23 h ASN 66 Ca 0.66 0.00 -0.41 0.00 -3.08 0.00 0.00 56.30 53.48 1k23 h ASN 66 Cb 2.13 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 38.30 1k23 h ASN 66 CO -0.23 0.22 -2.47 -0.62 -2.08 0.00 0.00 177.43 172.26 1k23 n GLU 67 N -3.35 0.61 -4.39 4.14 1.02 0.13 -5.07 120.64 113.74 1k23 n GLU 67 Ca 0.00 0.19 -0.21 0.00 -0.02 0.00 0.00 57.16 57.12 1k23 n GLU 67 Cb 0.45 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.29 1k23 n GLU 67 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1k23 s VAL 68 N -2.50 0.40 -0.04 2.62 -7.23 -0.43 -4.99 120.40 108.24 1k23 s VAL 68 Ca -0.35 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 57.92 1k23 s VAL 68 Cb 0.11 -2.48 -0.16 0.00 0.56 0.00 0.00 36.38 34.41 1k23 s VAL 68 CO 0.54 0.00 0.19 0.59 -0.31 0.00 0.00 175.10 176.12 1k23 n ASN 69 N -1.10 2.46 -4.11 4.85 5.03 -1.26 -4.31 115.26 116.81 1k23 n ASN 69 Ca -0.00 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.24 1k23 n ASN 69 Cb 0.65 1.33 -0.14 0.00 -1.02 0.00 0.00 39.78 40.60 1k23 n ASN 69 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1k23 s GLY 70 N -3.51 0.69 0.19 7.41 0.00 -1.26 -1.68 107.32 109.15 1k23 s GLY 70 Ca -0.04 -0.69 0.06 0.00 0.00 0.00 0.00 44.72 44.05 1k23 s GLY 70 CO 0.45 -0.64 -0.10 -1.34 0.00 0.00 0.00 173.10 171.47 1k23 s VAL 71 N -0.61 1.41 -0.10 1.40 -7.23 -0.16 -3.40 120.40 111.71 1k23 s VAL 71 Ca 0.03 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1k23 s VAL 71 Cb -0.06 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.85 1k23 s VAL 71 CO 0.00 -0.60 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.36 1k23 s ILE 72 N -3.18 1.80 -0.16 -0.62 1.01 -0.12 -0.90 121.20 119.03 1k23 s ILE 72 Ca 0.21 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1k23 s ILE 72 Cb 0.02 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1k23 s ILE 72 CO 0.05 0.50 0.11 -0.76 0.00 0.00 0.00 174.94 174.84 1k23 s LEU 73 N 0.54 4.15 0.03 2.97 1.43 -0.08 -2.13 118.68 125.59 1k23 s LEU 73 Ca -0.15 0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1k23 s LEU 73 Cb -0.17 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 1k23 s LEU 73 CO 0.05 0.27 -0.20 0.68 0.23 0.00 0.00 176.35 177.38 1k23 s VAL 74 N -0.16 1.58 -1.63 -1.59 -7.23 -0.90 -0.40 120.40 110.06 1k23 s VAL 74 Ca 0.10 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1k23 s VAL 74 Cb -0.12 -1.37 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1k23 s VAL 74 CO 0.01 0.22 0.00 -0.67 -0.31 0.00 0.00 175.10 174.34 1k23 n ASP 75 N 1.97 -4.90 0.00 4.85 2.03 -0.05 -4.10 116.55 116.35 1k23 n ASP 75 Ca -0.17 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1k23 n ASP 75 Cb 0.53 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 37.08 1k23 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k23 n HIS 76 N -2.85 0.00 0.00 -0.67 1.44 -1.26 -4.65 115.22 107.23 1k23 n HIS 76 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 1k23 n HIS 76 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 1k23 n HIS 76 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1k23 n ASN 77 N 0.00 0.00 -4.72 4.39 0.23 -1.26 -4.85 115.26 109.05 1k23 n ASN 77 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.63 1k23 n ASN 77 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1k23 n ASN 77 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1k23 s GLU 78 N -0.57 4.25 0.19 -3.83 2.02 -1.24 -4.54 118.70 114.98 1k23 s GLU 78 Ca 0.00 2.28 -0.23 0.00 0.02 0.00 0.00 54.97 57.04 1k23 s GLU 78 Cb 0.00 -3.17 0.09 0.00 0.10 0.00 0.00 34.13 31.16 1k23 s GLU 78 CO 0.00 -0.53 1.56 0.00 0.02 0.00 0.00 175.26 176.31 1k23 h ARG 79 N 6.42 -0.10 -0.93 1.61 3.08 -1.40 -0.84 114.38 122.23 1k23 h ARG 79 Ca -0.43 0.01 0.24 0.00 0.07 0.00 0.00 59.98 59.87 1k23 h ARG 79 Cb 1.21 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.23 1k23 h ARG 79 CO 0.87 -0.07 0.64 1.96 -1.07 0.00 0.00 179.97 182.30 1k23 h GLN 80 N -0.11 0.19 0.00 0.04 7.50 -1.91 0.21 115.11 121.03 1k23 h GLN 80 Ca 0.24 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.37 1k23 h GLN 80 Cb 0.55 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.03 1k23 h GLN 80 CO -0.83 0.13 -0.11 1.96 -1.50 0.00 0.00 178.83 178.47 1k23 h GLN 81 N 0.20 0.00 0.00 1.46 4.20 -1.53 -3.47 115.11 115.97 1k23 h GLN 81 Ca 0.47 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.09 1k23 h GLN 81 Cb 1.51 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.31 1k23 h GLN 81 CO -0.11 0.00 0.05 0.45 -0.67 0.00 0.00 178.83 178.56 1k23 n SER 82 N -2.76 0.14 -4.71 1.46 2.88 0.73 -1.05 113.62 110.32 1k23 n SER 82 Ca 0.04 -1.16 -0.32 0.00 -1.33 0.00 0.00 58.87 56.10 1k23 n SER 82 Cb 0.50 -0.16 0.12 0.00 -0.75 0.00 0.00 64.21 63.92 1k23 n SER 82 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1k23 s ILE 83 N -0.99 2.36 0.09 2.46 2.07 -1.26 -4.73 121.20 121.20 1k23 s ILE 83 Ca 0.14 0.14 -0.33 0.00 -1.41 0.00 0.00 60.65 59.19 1k23 s ILE 83 Cb -0.01 -2.46 -0.14 0.00 0.13 0.00 0.00 42.46 39.98 1k23 s ILE 83 CO 0.10 -0.13 1.59 0.50 -1.91 0.00 0.00 174.94 175.09 1k23 h LYS 84 N -1.08 -0.82 -1.31 3.50 3.64 -1.93 -3.01 116.57 115.56 1k23 h LYS 84 Ca -0.45 0.06 -0.41 0.00 -1.27 0.00 0.00 60.65 58.58 1k23 h LYS 84 Cb 1.27 0.19 -0.18 0.00 -0.41 0.00 0.00 32.23 33.10 1k23 h LYS 84 CO 0.46 -0.55 0.53 -0.40 -2.27 0.00 0.00 179.45 177.23 1k23 n ASP 85 N -5.51 6.27 0.06 4.20 5.75 -1.26 -4.58 116.55 121.47 1k23 n ASP 85 Ca -0.10 -3.23 0.08 0.00 -0.01 0.00 0.00 54.79 51.53 1k23 n ASP 85 Cb 0.41 -0.98 0.53 0.00 -1.03 0.00 0.00 41.12 40.05 1k23 n ASP 85 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1k23 h ILE 86 N 0.94 1.00 0.00 2.12 6.09 -1.90 -0.79 117.51 124.96 1k23 h ILE 86 Ca 0.39 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 63.75 1k23 h ILE 86 Cb 1.10 0.65 -0.00 0.00 0.47 0.00 0.00 36.82 39.04 1k23 h ILE 86 CO 0.95 0.06 -0.07 -0.08 -3.07 0.00 0.00 178.15 175.94 1k23 h GLU 87 N 0.32 0.00 -0.26 2.19 4.57 -1.87 -2.82 114.58 116.70 1k23 h GLU 87 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1k23 h GLU 87 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1k23 h GLU 87 CO -0.03 0.07 0.00 0.39 -1.18 0.00 0.00 179.01 178.26 1k23 n GLU 88 N -3.79 1.83 -4.33 1.92 1.02 -0.30 -4.90 120.64 112.08 1k23 n GLU 88 Ca -0.02 -1.27 -0.17 0.00 -0.02 0.00 0.00 57.16 55.68 1k23 n GLU 88 Cb 0.16 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 1k23 n GLU 88 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1k23 s VAL 89 N -1.66 0.88 -0.22 2.62 -7.23 -1.07 -4.79 120.40 108.95 1k23 s VAL 89 Ca 0.30 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 1k23 s VAL 89 Cb 0.16 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 1k23 s VAL 89 CO 0.23 -0.21 0.25 -1.58 -0.31 0.00 0.00 175.10 173.48 1k23 s GLN 90 N -3.92 4.12 -0.67 4.82 0.74 -0.68 -4.96 119.66 119.11 1k23 s GLN 90 Ca 0.31 -0.08 -0.27 0.00 0.05 0.00 0.00 55.36 55.38 1k23 s GLN 90 Cb 0.07 -3.53 0.03 0.00 1.10 0.00 0.00 33.01 30.68 1k23 s GLN 90 CO 0.10 0.04 1.21 0.08 -0.55 0.00 0.00 175.29 176.17 1k23 s VAL 91 N 1.10 3.90 0.18 1.34 1.01 -1.26 -0.99 120.40 125.69 1k23 s VAL 91 Ca 0.12 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 1k23 s VAL 91 Cb -0.14 -4.82 0.06 0.00 0.00 0.00 0.00 36.38 31.48 1k23 s VAL 91 CO 0.05 -1.61 1.63 -0.07 0.00 0.00 0.00 175.10 175.10 1k23 h LEU 92 N 12.42 1.06 -7.17 3.92 4.07 -1.39 -3.46 115.31 124.76 1k23 h LEU 92 Ca -0.27 -0.32 0.07 0.00 0.08 0.00 0.00 57.88 57.44 1k23 h LEU 92 Cb 1.05 -0.29 -0.12 0.00 1.08 0.00 0.00 40.66 42.39 1k23 h LEU 92 CO 1.23 1.12 0.37 -1.83 -1.08 0.00 0.00 178.44 178.25 1k23 s GLU 93 N -4.97 1.12 -0.05 1.13 -1.05 -1.25 -2.24 118.70 111.37 1k23 s GLU 93 Ca -0.12 -0.47 -0.01 0.00 -0.15 0.00 0.00 54.97 54.23 1k23 s GLU 93 Cb 0.13 0.48 0.03 0.00 -0.44 0.00 0.00 34.13 34.33 1k23 s GLU 93 CO 0.86 -0.49 0.01 0.08 0.95 0.00 0.00 175.26 176.66 1k23 s VAL 94 N -3.44 0.27 -0.28 1.83 1.01 -0.62 -0.91 120.40 118.27 1k23 s VAL 94 Ca 0.05 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 1k23 s VAL 94 Cb -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.98 1k23 s VAL 94 CO -0.08 0.22 -0.00 -0.63 0.00 0.00 0.00 175.10 174.61 1k23 s ILE 95 N 1.67 3.18 0.31 2.22 -1.09 0.46 -0.62 121.20 127.33 1k23 s ILE 95 Ca -0.00 -1.08 -0.06 0.00 -2.23 0.00 0.00 60.65 57.28 1k23 s ILE 95 Cb -0.13 -2.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 1k23 s ILE 95 CO -0.03 0.06 0.48 -0.62 -1.23 0.00 0.00 174.94 173.59 1k23 s ASP 96 N 1.34 0.50 0.00 3.58 2.15 -0.82 -0.87 116.67 122.55 1k23 s ASP 96 Ca -0.01 -1.29 0.11 0.00 0.43 0.00 0.00 52.55 51.78 1k23 s ASP 96 Cb -0.18 0.64 0.18 0.00 -0.30 0.00 0.00 42.92 43.26 1k23 s ASP 96 CO -0.02 -1.26 1.02 0.00 -0.17 0.00 0.00 175.17 174.75 1k23 n HIS 97 N -0.49 0.00 -4.21 -5.34 1.44 -1.26 -2.43 115.22 102.92 1k23 n HIS 97 Ca -0.00 -0.25 -0.15 0.00 -2.01 0.00 0.00 57.72 55.30 1k23 n HIS 97 Cb 0.62 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.69 1k23 n HIS 97 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1k23 n HIS 98 N 0.20 0.20 -1.17 -1.40 8.25 -1.26 -4.71 115.22 115.34 1k23 n HIS 98 Ca -0.00 -1.19 -0.30 0.00 -0.26 0.00 0.00 57.72 55.97 1k23 n HIS 98 Cb 0.87 -0.17 0.12 0.00 1.12 0.00 0.00 29.99 31.92 1k23 n HIS 98 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1k23 s ARG 99 N -2.93 1.63 -0.21 -0.41 1.70 -1.26 -4.98 118.95 112.49 1k23 s ARG 99 Ca 0.03 1.03 -0.06 0.00 -0.47 0.00 0.00 55.73 56.27 1k23 s ARG 99 Cb -0.00 -1.83 -0.03 0.00 -0.57 0.00 0.00 34.95 32.51 1k23 s ARG 99 CO 0.02 -2.04 0.03 0.42 -1.08 0.00 0.00 175.30 172.65 1k23 s ILE 100 N -2.89 4.19 -0.08 4.99 1.01 -1.26 -4.87 121.20 122.30 1k23 s ILE 100 Ca 0.63 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 1k23 s ILE 100 Cb -0.18 -2.91 0.12 0.00 0.01 0.00 0.00 42.46 39.49 1k23 s ILE 100 CO 0.57 0.41 0.98 0.00 0.00 0.00 0.00 174.94 176.90 1k23 s ALA 101 N 1.04 -1.90 -1.68 9.38 0.00 -1.26 -4.94 121.76 122.41 1k23 s ALA 101 Ca 0.03 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 1k23 s ALA 101 Cb -0.14 0.07 0.15 0.00 0.00 0.00 0.00 23.12 23.19 1k23 s ALA 101 CO 0.02 -0.59 0.83 0.09 0.00 0.00 0.00 175.76 176.11 1k23 n ASN 102 N -0.01 -3.63 -3.91 0.00 3.02 -1.26 -3.70 115.26 105.76 1k23 n ASN 102 Ca -0.07 -0.97 -0.11 0.00 -0.03 0.00 0.00 54.58 53.40 1k23 n ASN 102 Cb 0.60 -2.95 -0.13 0.00 -0.61 0.00 0.00 39.78 36.69 1k23 n ASN 102 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1k23 s PHE 103 N -3.28 0.10 -0.24 3.10 5.36 -1.26 -1.24 117.98 120.53 1k23 s PHE 103 Ca 0.74 -0.21 -0.27 0.00 -0.96 0.00 0.00 56.93 56.23 1k23 s PHE 103 Cb -0.40 -0.08 0.13 0.00 -0.34 0.00 0.00 43.02 42.33 1k23 s PHE 103 CO 0.91 -0.09 1.04 -2.00 -1.46 0.00 0.00 175.22 173.62 1k23 s GLU 104 N -0.64 0.52 0.07 10.12 2.12 -1.26 -5.09 118.70 124.53 1k23 s GLU 104 Ca -0.07 0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.75 1k23 s GLU 104 Cb -0.04 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 1k23 s GLU 104 CO -0.00 -0.10 -0.17 0.95 -0.54 0.00 0.00 175.26 175.40 1k23 s THR 105 N -0.22 1.35 -0.09 -1.70 -4.23 -1.26 -5.03 115.64 104.46 1k23 s THR 105 Ca 0.02 -1.31 0.14 0.00 -1.18 0.00 0.00 61.69 59.35 1k23 s THR 105 Cb -0.04 -1.24 -0.07 0.00 1.34 0.00 0.00 72.50 72.49 1k23 s THR 105 CO -0.04 -0.09 1.15 0.00 -0.54 0.00 0.00 174.62 175.09 1k23 h ALA 106 N 4.39 0.62 -1.41 3.99 0.00 -2.00 -3.47 119.26 121.38 1k23 h ALA 106 Ca -0.42 -0.74 -0.62 0.00 0.00 0.00 0.00 54.91 53.12 1k23 h ALA 106 Cb 1.18 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1k23 h ALA 106 CO 0.41 0.91 -0.58 -2.00 0.00 0.00 0.00 179.25 177.98 1k23 s GLU 107 N -2.88 1.98 0.98 0.00 2.56 -1.26 -5.14 118.70 114.94 1k23 s GLU 107 Ca 0.00 -2.16 -0.13 0.00 0.00 0.00 0.00 54.97 52.69 1k23 s GLU 107 Cb 0.08 -1.50 0.17 0.00 2.00 0.00 0.00 34.13 34.89 1k23 s GLU 107 CO 0.79 -0.15 1.13 -2.14 -0.56 0.00 0.00 175.26 174.33 1k23 s PRO 108 N -3.77 0.61 0.18 4.30 0.02 -1.26 -5.06 135.00 130.02 1k23 s PRO 108 Ca 0.28 0.29 -0.23 0.00 0.02 0.00 0.00 61.00 61.36 1k23 s PRO 108 Cb 0.08 -1.78 0.07 0.00 0.02 0.00 0.00 34.50 32.89 1k23 s PRO 108 CO 0.14 -2.56 1.02 -0.48 -0.33 0.00 0.00 177.00 174.79 1k23 s LEU 109 N -6.27 -0.03 -0.74 -5.54 -0.00 -1.26 -5.00 118.68 99.84 1k23 s LEU 109 Ca 0.66 -0.62 -0.16 0.00 -0.00 0.00 0.00 54.13 54.01 1k23 s LEU 109 Cb -0.15 2.11 0.17 0.00 -0.00 0.00 0.00 46.19 48.32 1k23 s LEU 109 CO 0.55 -0.98 0.73 -0.47 -0.00 0.00 0.00 176.35 176.18 1k23 s TYR 110 N -2.41 3.47 -0.24 3.48 5.04 -0.95 -5.00 117.35 120.73 1k23 s TYR 110 Ca 0.19 -1.62 -0.08 0.00 -2.44 0.00 0.00 57.07 53.12 1k23 s TYR 110 Cb -0.02 -3.89 -0.03 0.00 0.35 0.00 0.00 41.96 38.37 1k23 s TYR 110 CO 0.05 -1.09 0.09 -0.47 -1.34 0.00 0.00 175.55 172.78 1k23 s TYR 111 N 1.11 3.13 -0.28 4.97 5.04 -1.26 -1.59 117.35 128.47 1k23 s TYR 111 Ca 0.15 -0.27 -0.02 0.00 -2.44 0.00 0.00 57.07 54.49 1k23 s TYR 111 Cb -0.16 -2.24 0.09 0.00 0.35 0.00 0.00 41.96 40.00 1k23 s TYR 111 CO -0.04 -0.26 0.08 0.50 -1.34 0.00 0.00 175.55 174.50 1k23 s ARG 112 N 1.46 0.66 -0.03 4.97 3.52 0.21 -4.96 118.95 124.78 1k23 s ARG 112 Ca 0.06 -0.87 0.07 0.00 -0.13 0.00 0.00 55.73 54.86 1k23 s ARG 112 Cb -0.15 -1.93 -0.02 0.00 -1.56 0.00 0.00 34.95 31.30 1k23 s ARG 112 CO 0.05 -0.91 -0.24 0.00 -0.81 0.00 0.00 175.30 173.39 1k23 s ALA 113 N 1.72 2.24 0.03 6.12 0.00 -1.26 -1.95 121.76 128.66 1k23 s ALA 113 Ca 0.07 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1k23 s ALA 113 Cb -0.17 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1k23 s ALA 113 CO -0.23 0.51 -0.10 -1.21 0.00 0.00 0.00 175.76 174.73 1k23 s GLU 114 N -0.53 0.72 0.00 0.00 2.02 -1.02 -5.00 118.70 114.89 1k23 s GLU 114 Ca 0.07 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 1k23 s GLU 114 Cb -0.11 -0.66 -0.07 0.00 0.10 0.00 0.00 34.13 33.39 1k23 s GLU 114 CO 0.00 0.16 1.82 -2.30 0.02 0.00 0.00 175.26 174.96 1k23 n PRO 115 N 2.09 0.92 -3.37 0.39 -0.02 -1.26 -4.44 135.00 129.31 1k23 n PRO 115 Ca -0.18 -0.27 -0.22 0.00 -2.02 0.00 0.00 63.50 60.81 1k23 n PRO 115 Cb 0.56 -1.44 0.03 0.00 -0.02 0.00 0.00 33.50 32.62 1k23 n PRO 115 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1k23 s VAL 116 N 1.11 2.05 -2.47 -1.45 -7.23 -1.26 -4.97 120.40 106.18 1k23 s VAL 116 Ca 0.18 -1.20 0.24 0.00 -1.81 0.00 0.00 61.98 59.39 1k23 s VAL 116 Cb 0.09 -2.25 0.44 0.00 0.56 0.00 0.00 36.38 35.22 1k23 s VAL 116 CO 0.00 0.00 1.54 0.61 -0.31 0.00 0.00 175.10 176.94 1k23 n GLY 117 N -2.01 0.53 3.59 2.32 0.00 -1.25 -4.90 105.19 103.49 1k23 n GLY 117 Ca 0.08 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 1k23 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k23 h THR 119 N 4.01 1.21 0.00 0.00 2.02 -1.92 -2.50 112.91 115.73 1k23 h THR 119 Ca -0.29 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1k23 h THR 119 Cb 1.16 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1k23 h THR 119 CO 0.08 0.22 -0.01 0.00 0.37 0.00 0.00 175.52 176.18 1k23 h ALA 120 N 1.47 1.96 -0.64 6.16 0.00 -1.93 -1.72 119.26 124.56 1k23 h ALA 120 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1k23 h ALA 120 Cb -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1k23 h ALA 120 CO -0.05 0.01 0.40 1.15 0.00 0.00 0.00 179.25 180.76 1k23 h THR 121 N 0.00 1.18 -0.09 0.00 2.02 -1.84 -0.09 112.91 114.09 1k23 h THR 121 Ca -0.00 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 1k23 h THR 121 Cb 0.02 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1k23 h THR 121 CO 0.00 0.18 -0.46 0.40 0.37 0.00 0.00 175.52 176.02 1k23 h ILE 122 N 0.88 1.38 -0.28 3.11 2.04 -1.43 -3.06 117.51 120.16 1k23 h ILE 122 Ca 0.23 -1.81 0.04 0.00 1.00 0.00 0.00 64.86 64.32 1k23 h ILE 122 Cb -0.05 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1k23 h ILE 122 CO -0.05 0.54 0.06 -0.07 0.00 0.00 0.00 178.15 178.63 1k23 h LEU 123 N 0.04 0.01 -1.22 1.44 3.38 -1.00 -1.28 115.31 116.68 1k23 h LEU 123 Ca -0.03 0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.22 1k23 h LEU 123 Cb 1.11 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 1k23 h LEU 123 CO 0.09 0.04 0.64 -1.13 0.09 0.00 0.00 178.44 178.17 1k23 h ASN 124 N 0.16 0.56 0.00 -0.43 -1.24 -1.05 0.20 115.58 113.78 1k23 h ASN 124 Ca 0.13 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1k23 h ASN 124 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1k23 h ASN 124 CO -0.17 0.13 0.00 0.29 -1.29 0.00 0.00 177.43 176.39 1k23 n LYS 125 N -4.71 0.38 0.00 6.67 5.02 -0.48 -2.99 118.16 122.05 1k23 n LYS 125 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1k23 n LYS 125 Cb 0.78 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1k23 n LYS 125 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k23 n TYR 127 N 0.63 0.00 -0.18 2.13 4.02 0.69 -0.54 117.16 123.91 1k23 n TYR 127 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 1k23 n TYR 127 Cb 0.15 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.51 1k23 n TYR 127 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1k23 h LYS 128 N 0.00 1.01 -0.45 -0.72 1.57 -1.79 -1.10 116.57 115.09 1k23 h LYS 128 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1k23 h LYS 128 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1k23 h LYS 128 CO 0.00 1.03 0.30 0.93 -0.57 0.00 0.00 179.45 181.13 1k23 h GLU 129 N 0.91 0.59 -0.52 3.15 5.08 -1.11 -0.99 114.58 121.69 1k23 h GLU 129 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1k23 h GLU 129 Cb 0.62 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1k23 h GLU 129 CO 0.04 0.39 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 1k23 n ASN 130 N -4.47 3.34 -3.71 1.42 3.02 -1.08 -4.99 115.26 108.79 1k23 n ASN 130 Ca 0.04 -1.97 -0.22 0.00 -0.03 0.00 0.00 54.58 52.39 1k23 n ASN 130 Cb 0.05 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1k23 n ASN 130 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1k23 n ASN 131 N 1.36 -5.18 -3.93 6.41 5.15 -0.38 -4.98 115.26 113.71 1k23 n ASN 131 Ca 0.21 -0.86 -0.24 0.00 -0.60 0.00 0.00 54.58 53.08 1k23 n ASN 131 Cb 0.56 -2.08 -0.17 0.00 -0.53 0.00 0.00 39.78 37.56 1k23 n ASN 131 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1k23 s VAL 132 N -2.98 0.91 0.31 3.44 1.01 -0.77 -5.03 120.40 117.29 1k23 s VAL 132 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 1k23 s VAL 132 Cb -0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 36.38 35.37 1k23 s VAL 132 CO 0.88 0.33 1.32 -0.75 0.00 0.00 0.00 175.10 176.87 1k23 s LYS 133 N 1.21 4.36 -0.33 2.72 2.20 -1.26 -4.63 119.74 124.02 1k23 s LYS 133 Ca -0.05 2.20 -0.19 0.00 -0.36 0.00 0.00 55.97 57.57 1k23 s LYS 133 Cb -0.14 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 1k23 s LYS 133 CO -0.02 -0.21 0.57 0.42 -0.36 0.00 0.00 175.35 175.75 1k23 s ILE 134 N -0.88 4.97 0.35 5.43 1.01 -1.26 -5.03 121.20 125.78 1k23 s ILE 134 Ca 0.51 0.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.49 1k23 s ILE 134 Cb -0.39 -3.98 -0.11 0.00 0.01 0.00 0.00 42.46 37.99 1k23 s ILE 134 CO 0.50 -0.17 1.50 -1.61 0.00 0.00 0.00 174.94 175.16 1k23 s GLU 135 N 2.51 4.14 0.21 2.79 2.02 -1.26 -4.80 118.70 124.31 1k23 s GLU 135 Ca 0.22 2.54 -0.16 0.00 0.02 0.00 0.00 54.97 57.59 1k23 s GLU 135 Cb -0.15 -3.00 0.23 0.00 0.10 0.00 0.00 34.13 31.31 1k23 s GLU 135 CO 0.13 -0.53 1.59 -0.22 0.02 0.00 0.00 175.26 176.25 1k23 h LYS 136 N 3.61 -0.06 -0.51 1.61 3.64 -1.96 -1.69 116.57 121.20 1k23 h LYS 136 Ca -0.49 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.96 1k23 h LYS 136 Cb 1.23 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 1k23 h LYS 136 CO 0.69 -0.04 -0.47 0.93 -2.27 0.00 0.00 179.45 178.28 1k23 h GLU 137 N -0.07 -0.28 -0.03 1.90 4.39 -1.90 -2.59 114.58 115.99 1k23 h GLU 137 Ca 0.31 0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.87 1k23 h GLU 137 Cb 0.56 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1k23 h GLU 137 CO -0.76 -0.18 -0.68 -0.84 -1.16 0.00 0.00 179.01 175.39 1k23 h ILE 138 N -0.29 1.43 -0.92 3.13 3.07 -1.73 -2.97 117.51 119.23 1k23 h ILE 138 Ca 0.14 -2.20 0.16 0.00 1.55 0.00 0.00 64.86 64.51 1k23 h ILE 138 Cb 0.57 2.16 -0.08 0.00 -0.27 0.00 0.00 36.82 39.21 1k23 h ILE 138 CO -0.65 0.64 0.59 0.00 -1.05 0.00 0.00 178.15 177.68 1k23 h ALA 139 N 1.18 1.85 -0.55 0.16 0.00 -0.95 0.12 119.26 121.07 1k23 h ALA 139 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1k23 h ALA 139 Cb 1.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1k23 h ALA 139 CO 0.10 -0.12 0.30 0.78 0.00 0.00 0.00 179.25 180.32 1k23 h GLY 140 N 0.68 0.83 -1.72 0.00 0.00 -1.33 0.52 103.07 102.05 1k23 h GLY 140 Ca 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1k23 h GLY 140 CO -0.23 0.36 0.00 1.04 0.00 0.00 0.00 176.54 177.71 1k23 n LEU 141 N -4.61 0.46 0.00 3.11 4.77 0.43 -0.41 117.00 120.74 1k23 n LEU 141 Ca 0.03 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1k23 n LEU 141 Cb 0.09 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1k23 n LEU 141 CO 0.37 0.08 0.00 -0.11 -1.33 0.00 0.00 177.39 176.40 1k23 n LEU 143 N 0.77 0.00 0.30 2.23 -0.00 0.17 -1.44 117.00 119.03 1k23 n LEU 143 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 1k23 n LEU 143 Cb 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 1k23 n LEU 143 CO 0.00 0.00 0.68 0.28 -0.00 0.00 0.00 177.39 178.35 1k23 h SER 144 N 0.00 -0.67 -0.72 1.96 0.02 -0.98 -0.19 113.55 112.97 1k23 h SER 144 Ca 0.00 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.13 1k23 h SER 144 Cb 0.00 0.18 -0.11 0.00 0.14 0.00 0.00 62.40 62.61 1k23 h SER 144 CO 0.00 -0.46 0.17 0.00 -1.14 0.00 0.00 176.83 175.40 1k23 h ALA 145 N -0.28 0.92 -0.27 3.77 0.00 -1.47 0.26 119.26 122.20 1k23 h ALA 145 Ca -0.07 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1k23 h ALA 145 Cb 0.58 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1k23 h ALA 145 CO 0.10 -0.34 0.05 0.82 0.00 0.00 0.00 179.25 179.89 1k23 h ILE 146 N 0.26 1.23 -0.41 0.00 2.04 -1.77 -0.41 117.51 118.44 1k23 h ILE 146 Ca 0.41 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1k23 h ILE 146 Cb 0.69 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1k23 h ILE 146 CO -0.51 0.24 0.22 0.40 0.00 0.00 0.00 178.15 178.51 1k23 h ILE 147 N 0.26 0.99 0.15 -0.67 1.08 0.23 -0.81 117.51 118.75 1k23 h ILE 147 Ca 0.08 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1k23 h ILE 147 Cb 0.32 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1k23 h ILE 147 CO 0.00 0.08 -0.14 -1.28 -0.69 0.00 0.00 178.15 176.13 1k23 h SER 148 N 0.44 -0.36 0.46 1.72 0.87 -0.33 -0.87 113.55 115.48 1k23 h SER 148 Ca 0.17 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 1k23 h SER 148 Cb 0.06 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1k23 h SER 148 CO -0.11 -0.21 -0.41 0.44 -0.53 0.00 0.00 176.83 176.01 1k23 h ASP 149 N -0.31 0.00 -0.44 6.23 3.32 -0.90 -3.09 116.42 121.23 1k23 h ASP 149 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k23 h ASP 149 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1k23 h ASP 149 CO -0.03 0.41 0.00 -1.54 -1.72 0.00 0.00 179.24 176.37 1k23 n SER 150 N -3.97 3.42 -3.87 6.45 3.41 -0.33 -4.88 113.62 113.86 1k23 n SER 150 Ca -0.02 -1.98 -0.25 0.00 -0.26 0.00 0.00 58.87 56.37 1k23 n SER 150 Cb 0.45 -0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1k23 n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k23 n LEU 151 N 1.44 -2.49 -3.27 1.04 4.77 -0.40 -0.40 117.00 117.70 1k23 n LEU 151 Ca 0.20 -0.96 -0.17 0.00 -0.03 0.00 0.00 56.01 55.05 1k23 n LEU 151 Cb 0.59 -2.34 0.08 0.00 -2.33 0.00 0.00 43.42 39.42 1k23 n LEU 151 CO 0.16 0.43 0.12 -0.11 -1.33 0.00 0.00 177.39 176.65 1k23 n LEU 152 N -4.35 -3.84 0.00 2.23 7.94 -0.82 -2.51 117.00 115.65 1k23 n LEU 152 Ca -0.29 -0.57 0.00 0.00 -1.11 0.00 0.00 56.01 54.04 1k23 n LEU 152 Cb 0.68 -2.94 0.00 0.00 0.53 0.00 0.00 43.42 41.69 1k23 n LEU 152 CO 0.73 0.38 0.00 0.49 -1.11 0.00 0.00 177.39 177.88 1k23 n PHE 153 N -4.01 0.00 0.57 1.96 3.01 -0.57 -4.82 117.46 113.60 1k23 n PHE 153 Ca -0.24 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.34 1k23 n PHE 153 Cb 0.65 -1.41 0.09 0.00 -0.01 0.00 0.00 39.48 38.80 1k23 n PHE 153 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1k23 n LYS 154 N -0.61 0.29 -1.77 -1.08 4.76 -0.36 -4.91 118.16 114.49 1k23 n LYS 154 Ca 0.00 0.04 -0.39 0.00 -2.87 0.00 0.00 58.31 55.08 1k23 n LYS 154 Cb 0.26 -1.63 0.03 0.00 -1.84 0.00 0.00 35.03 31.85 1k23 n LYS 154 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1k23 s SER 155 N -4.05 5.57 0.52 4.39 0.15 0.46 -4.91 113.70 115.84 1k23 s SER 155 Ca 0.05 2.88 0.34 0.00 0.70 0.00 0.00 55.95 59.92 1k23 s SER 155 Cb 0.14 -2.65 1.64 0.00 -1.71 0.00 0.00 66.02 63.44 1k23 s SER 155 CO 0.76 -1.38 2.03 1.55 1.20 0.00 0.00 173.24 177.41 1k23 h PRO 156 N 1.92 0.00 0.00 5.44 0.13 -1.93 -2.22 132.00 135.35 1k23 h PRO 156 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1k23 h PRO 156 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1k23 h PRO 156 CO 0.59 0.00 -1.25 0.25 -0.23 0.00 0.00 178.00 177.37 1k23 n THR 157 N -2.87 0.42 -1.60 1.56 -2.24 -1.26 -4.96 114.28 103.33 1k23 n THR 157 Ca -0.01 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1k23 n THR 157 Cb 0.19 -0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 1k23 n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k23 s THR 159 N -1.28 1.63 0.43 0.00 2.01 -1.26 -4.90 115.64 112.27 1k23 s THR 159 Ca 0.63 -2.15 0.11 0.00 0.31 0.00 0.00 61.69 60.60 1k23 s THR 159 Cb -0.56 -2.32 0.30 0.00 0.01 0.00 0.00 72.50 69.92 1k23 s THR 159 CO 0.57 -0.39 2.03 0.44 -0.69 0.00 0.00 174.62 176.58 1k23 h ASP 160 N 2.37 0.39 -0.24 3.53 3.32 -2.00 -1.52 116.42 122.27 1k23 h ASP 160 Ca -0.39 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.51 1k23 h ASP 160 Cb 1.23 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1k23 h ASP 160 CO 0.65 0.26 -0.39 1.56 -1.72 0.00 0.00 179.24 179.61 1k23 h GLN 161 N 0.45 0.78 -0.50 3.56 4.20 -1.98 -1.48 115.11 120.14 1k23 h GLN 161 Ca 0.20 -0.40 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 1k23 h GLN 161 Cb 0.24 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1k23 h GLN 161 CO -0.05 1.03 0.09 -0.44 -0.67 0.00 0.00 178.83 178.79 1k23 h ASP 162 N 0.64 0.79 -0.28 1.46 3.32 -1.70 -1.00 116.42 119.65 1k23 h ASP 162 Ca 0.05 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.74 1k23 h ASP 162 Cb 0.94 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 1k23 h ASP 162 CO 0.09 0.84 -0.25 0.58 -1.72 0.00 0.00 179.24 178.78 1k23 h VAL 163 N 0.70 1.30 -0.32 -1.35 2.07 -1.34 0.41 116.25 117.72 1k23 h VAL 163 Ca 0.15 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1k23 h VAL 163 Cb 0.39 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1k23 h VAL 163 CO 0.01 0.45 -0.00 0.00 0.02 0.00 0.00 177.57 178.04 1k23 h ALA 164 N 0.71 1.39 -0.14 1.67 0.00 -1.21 -1.38 119.26 120.30 1k23 h ALA 164 Ca 0.05 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1k23 h ALA 164 Cb 0.81 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1k23 h ALA 164 CO 0.06 0.42 -0.67 0.00 0.00 0.00 0.00 179.25 179.07 1k23 h ALA 165 N 1.52 0.27 -0.51 0.00 0.00 -0.98 -2.12 119.26 117.44 1k23 h ALA 165 Ca 0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1k23 h ALA 165 Cb 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1k23 h ALA 165 CO 0.01 0.57 0.28 0.00 0.00 0.00 0.00 179.25 180.11 1k23 h ALA 166 N 0.53 0.65 0.24 0.00 0.00 -0.62 -0.42 119.26 119.63 1k23 h ALA 166 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1k23 h ALA 166 Cb 1.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1k23 h ALA 166 CO 0.14 0.17 -0.23 0.87 0.00 0.00 0.00 179.25 180.20 1k23 h LYS 167 N 0.68 -0.48 -0.52 0.00 6.56 -1.22 0.24 116.57 121.83 1k23 h LYS 167 Ca 0.18 0.03 0.07 0.00 -1.06 0.00 0.00 60.65 59.88 1k23 h LYS 167 Cb 0.04 0.11 -0.06 0.00 -0.57 0.00 0.00 32.23 31.75 1k23 h LYS 167 CO -0.03 -0.32 0.18 1.49 -2.06 0.00 0.00 179.45 178.71 1k23 h GLU 168 N -0.50 0.34 -0.49 3.15 4.81 -1.22 -2.35 114.58 118.33 1k23 h GLU 168 Ca -0.01 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1k23 h GLU 168 Cb 0.46 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1k23 h GLU 168 CO -0.04 0.23 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.18 1k23 h LEU 169 N 0.35 1.02 -1.17 1.64 3.38 -0.79 -3.02 115.31 116.73 1k23 h LEU 169 Ca 0.25 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1k23 h LEU 169 Cb 0.28 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1k23 h LEU 169 CO -0.26 1.19 0.57 0.00 0.09 0.00 0.00 178.44 180.03 1k23 h ALA 170 N 0.88 1.50 0.03 1.53 0.00 -0.11 -0.10 119.26 123.00 1k23 h ALA 170 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1k23 h ALA 170 Cb 0.79 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1k23 h ALA 170 CO 0.07 0.39 -0.01 1.49 0.00 0.00 0.00 179.25 181.18 1k23 h GLU 171 N 1.03 -0.04 -0.56 0.00 4.81 -1.35 -0.96 114.58 117.51 1k23 h GLU 171 Ca 0.36 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.68 1k23 h GLU 171 Cb 0.12 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 1k23 h GLU 171 CO -0.12 0.34 0.19 0.82 -0.73 0.00 0.00 179.01 179.51 1k23 h ILE 172 N -0.42 0.77 0.00 2.32 2.04 -1.33 0.19 117.51 121.08 1k23 h ILE 172 Ca -0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1k23 h ILE 172 Cb 0.40 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1k23 h ILE 172 CO 0.01 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.22 1k23 n ALA 173 N -2.47 1.91 -2.95 1.87 0.00 -0.09 -4.65 120.51 114.14 1k23 n ALA 173 Ca 0.07 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1k23 n ALA 173 Cb 0.25 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.45 1k23 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k23 n GLY 174 N 0.41 -0.59 3.52 0.00 0.00 0.67 -4.91 105.19 104.29 1k23 n GLY 174 Ca 0.06 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 1k23 n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k23 s VAL 175 N -3.30 0.00 -0.37 1.61 1.01 -0.45 -5.04 120.40 113.86 1k23 s VAL 175 Ca 0.27 -1.52 -0.11 0.00 0.00 0.00 0.00 61.98 60.62 1k23 s VAL 175 Cb -0.04 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.97 1k23 s VAL 175 CO 0.58 0.00 0.21 -0.62 0.00 0.00 0.00 175.10 175.28 1k23 s ASP 176 N -3.10 5.77 0.01 3.32 3.68 -1.26 -4.40 116.67 120.68 1k23 s ASP 176 Ca 0.27 -0.90 -0.02 0.00 2.13 0.00 0.00 52.55 54.02 1k23 s ASP 176 Cb 0.00 -2.04 -0.01 0.00 -1.45 0.00 0.00 42.92 39.42 1k23 s ASP 176 CO 0.13 -0.36 0.74 0.00 0.13 0.00 0.00 175.17 175.80 1k23 n ALA 177 N 5.02 -0.05 0.19 3.66 0.00 -1.26 -0.64 120.51 127.43 1k23 n ALA 177 Ca -0.12 0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1k23 n ALA 177 Cb 0.47 0.30 0.38 0.00 0.00 0.00 0.00 19.45 20.60 1k23 n ALA 177 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1k23 h GLU 178 N 0.00 0.00 0.40 0.00 9.09 -1.97 0.67 114.58 122.77 1k23 h GLU 178 Ca 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.40 1k23 h GLU 178 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1k23 h GLU 178 CO -0.07 0.35 -0.19 1.49 0.05 0.00 0.00 179.01 180.64 1k23 h GLU 179 N 0.00 -0.52 -0.42 1.06 4.81 -1.51 -2.31 114.58 115.70 1k23 h GLU 179 Ca -0.00 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1k23 h GLU 179 Cb 0.65 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1k23 h GLU 179 CO 0.05 -0.21 0.20 -0.92 -0.73 0.00 0.00 179.01 177.39 1k23 h TYR 180 N -0.97 0.60 -0.48 0.92 3.20 -0.91 -3.09 116.97 116.24 1k23 h TYR 180 Ca -0.05 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.87 1k23 h TYR 180 Cb 0.54 -0.19 -0.10 0.00 1.54 0.00 0.00 36.73 38.53 1k23 h TYR 180 CO 0.02 0.50 -0.35 0.78 -1.64 0.00 0.00 178.16 177.47 1k23 h GLY 181 N 0.53 -0.25 0.55 1.82 0.00 -0.89 -1.91 103.07 102.92 1k23 h GLY 181 Ca 0.14 0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.96 1k23 h GLY 181 CO -0.02 -0.20 -0.07 1.41 0.00 0.00 0.00 176.54 177.66 1k23 h LEU 182 N -0.23 -0.24 -0.92 3.11 3.38 -1.36 0.96 115.31 120.01 1k23 h LEU 182 Ca 0.19 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1k23 h LEU 182 Cb 0.55 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1k23 h LEU 182 CO -0.60 -0.09 0.00 0.59 0.09 0.00 0.00 178.44 178.43 1k23 n ASN 183 N -5.22 0.00 0.00 -0.43 3.02 -0.72 -0.35 115.26 111.56 1k23 n ASN 183 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1k23 n ASN 183 Cb 0.15 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1k23 n ASN 183 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1k23 n LEU 185 N 0.29 0.00 -0.04 3.41 4.77 0.33 -1.66 117.00 124.10 1k23 n LEU 185 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1k23 n LEU 185 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1k23 n LEU 185 CO 0.00 0.00 0.94 0.11 -1.33 0.00 0.00 177.39 177.11 1k23 h LYS 186 N 0.00 0.24 0.00 3.23 1.57 -0.93 -1.22 116.57 119.46 1k23 h LYS 186 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1k23 h LYS 186 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1k23 h LYS 186 CO 0.00 0.16 0.09 0.00 -0.57 0.00 0.00 179.45 179.13 1k23 n ALA 187 N -2.17 0.83 -1.00 3.86 0.00 -0.66 -1.30 120.51 120.06 1k23 n ALA 187 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1k23 n ALA 187 Cb 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1k23 n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k23 n GLY 188 N -1.40 -2.58 0.07 0.00 0.00 -0.46 -3.86 105.19 96.97 1k23 n GLY 188 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1k23 n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k23 h ALA 189 N -2.00 0.06 -2.88 4.61 0.00 -1.73 -3.41 119.26 113.91 1k23 h ALA 189 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1k23 h ALA 189 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1k23 h ALA 189 CO 0.00 0.45 0.00 -3.47 0.00 0.00 0.00 179.25 176.23 1k23 n ASP 190 N -4.60 -1.92 0.06 0.00 -0.08 -0.42 -5.00 116.55 104.58 1k23 n ASP 190 Ca -0.12 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.22 1k23 n ASP 190 Cb 0.33 -0.96 -0.06 0.00 2.34 0.00 0.00 41.12 42.77 1k23 n ASP 190 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1k23 n LEU 191 N 0.00 0.74 0.21 -2.67 4.77 -1.26 -3.94 117.00 114.86 1k23 n LEU 191 Ca 0.00 0.31 0.14 0.00 -0.03 0.00 0.00 56.01 56.43 1k23 n LEU 191 Cb 0.00 0.02 0.76 0.00 -2.33 0.00 0.00 43.42 41.87 1k23 n LEU 191 CO 0.00 -0.01 0.93 0.77 -1.33 0.00 0.00 177.39 177.75 1k23 h SER 192 N 0.00 0.00 -0.63 -1.43 4.64 -1.93 -1.47 113.55 112.73 1k23 h SER 192 Ca -0.09 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.80 1k23 h SER 192 Cb 1.29 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.10 1k23 h SER 192 CO 0.02 0.00 -0.27 0.29 -0.87 0.00 0.00 176.83 176.00 1k23 n LYS 193 N -2.50 2.78 -4.32 4.77 5.02 -1.25 -5.00 118.16 117.66 1k23 n LYS 193 Ca -0.02 -3.66 -0.18 0.00 -2.02 0.00 0.00 58.31 52.43 1k23 n LYS 193 Cb 0.06 -2.10 -0.14 0.00 -0.02 0.00 0.00 35.03 32.83 1k23 n LYS 193 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k23 s LYS 194 N -3.52 0.76 0.57 1.97 1.02 -0.56 -5.12 119.74 114.87 1k23 s LYS 194 Ca 0.51 -0.53 -0.20 0.00 0.02 0.00 0.00 55.97 55.77 1k23 s LYS 194 Cb 0.43 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.97 1k23 s LYS 194 CO 0.01 0.18 1.24 0.99 -0.92 0.00 0.00 175.35 176.85 1k23 s THR 195 N -0.59 2.54 0.47 2.17 2.01 -1.26 -4.86 115.64 116.12 1k23 s THR 195 Ca 0.01 0.36 0.27 0.00 0.31 0.00 0.00 61.69 62.64 1k23 s THR 195 Cb -0.06 -3.16 0.30 0.00 0.01 0.00 0.00 72.50 69.60 1k23 s THR 195 CO 0.00 -0.05 2.12 0.58 -0.69 0.00 0.00 174.62 176.59 1k23 h VAL 196 N 1.11 0.59 0.00 3.82 2.07 -1.96 0.22 116.25 122.11 1k23 h VAL 196 Ca -0.50 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1k23 h VAL 196 Cb 1.29 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1k23 h VAL 196 CO 0.56 0.09 -0.29 -0.08 0.02 0.00 0.00 177.57 177.87 1k23 h GLU 197 N 0.00 0.00 0.18 1.57 4.81 -1.95 -3.20 114.58 115.99 1k23 h GLU 197 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 1k23 h GLU 197 Cb 0.23 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.64 1k23 h GLU 197 CO 0.01 0.00 -1.06 0.93 -0.73 0.00 0.00 179.01 178.16 1k23 h GLU 198 N 0.00 0.37 -0.35 1.92 5.08 -0.94 -3.31 114.58 117.35 1k23 h GLU 198 Ca 0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1k23 h GLU 198 Cb 0.79 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1k23 h GLU 198 CO 0.00 1.30 0.23 -0.07 -1.00 0.00 0.00 179.01 179.47 1k23 h LEU 199 N -0.21 0.41 0.00 1.33 3.38 -1.38 -1.84 115.31 117.00 1k23 h LEU 199 Ca -0.19 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1k23 h LEU 199 Cb 1.81 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1k23 h LEU 199 CO 0.18 0.31 0.00 -0.38 0.09 0.00 0.00 178.44 178.64 1k23 n ILE 200 N -4.83 0.04 0.00 1.22 5.41 -1.21 -2.87 119.36 117.12 1k23 n ILE 200 Ca -0.00 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1k23 n ILE 200 Cb 0.03 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 1k23 n ILE 200 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1k23 n SER 201 N -1.02 3.95 -0.17 4.38 3.41 -0.76 -4.49 113.62 118.91 1k23 n SER 201 Ca 0.09 -0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.51 1k23 n SER 201 Cb 0.05 0.93 -0.08 0.00 -0.26 0.00 0.00 64.21 64.85 1k23 n SER 201 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1k23 h LEU 202 N 0.00 -1.76 -6.57 1.04 3.38 -1.23 -3.27 115.31 106.90 1k23 h LEU 202 Ca 0.00 0.25 -0.60 0.00 0.09 0.00 0.00 57.88 57.62 1k23 h LEU 202 Cb 0.00 0.74 -0.40 0.00 0.09 0.00 0.00 40.66 41.09 1k23 h LEU 202 CO 0.00 -0.38 -0.82 -0.67 0.09 0.00 0.00 178.44 176.66 1k23 n ASP 203 N -5.38 1.11 -4.32 -0.43 -0.08 -1.26 -5.08 116.55 101.11 1k23 n ASP 203 Ca -0.02 -2.77 -0.33 0.00 -1.51 0.00 0.00 54.79 50.16 1k23 n ASP 203 Cb 0.34 -0.64 -0.15 0.00 2.34 0.00 0.00 41.12 43.01 1k23 n ASP 203 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k23 s ALA 204 N -0.77 2.57 -0.02 -1.67 0.00 -1.24 -1.64 121.76 118.99 1k23 s ALA 204 Ca 0.31 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1k23 s ALA 204 Cb 0.03 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1k23 s ALA 204 CO -0.17 0.08 -0.13 0.15 0.00 0.00 0.00 175.76 175.69 1k23 s LYS 205 N 0.64 1.18 0.03 0.00 1.02 -1.12 -5.02 119.74 116.48 1k23 s LYS 205 Ca -0.07 -0.44 -0.02 0.00 0.02 0.00 0.00 55.97 55.46 1k23 s LYS 205 Cb -0.16 -1.10 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 1k23 s LYS 205 CO 0.03 0.22 0.20 -1.21 -0.92 0.00 0.00 175.35 173.67 1k23 s GLU 206 N -0.06 3.45 0.24 1.68 2.02 -1.26 -1.94 118.70 122.84 1k23 s GLU 206 Ca 0.00 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.65 1k23 s GLU 206 Cb -0.08 -3.06 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 1k23 s GLU 206 CO 0.00 0.64 0.11 -0.06 0.02 0.00 0.00 175.26 175.97 1k23 s PHE 207 N -1.41 1.43 -0.37 1.61 0.40 0.66 -4.99 117.98 115.31 1k23 s PHE 207 Ca 0.31 -1.24 0.12 0.00 -0.60 0.00 0.00 56.93 55.52 1k23 s PHE 207 Cb -0.13 -0.80 0.36 0.00 0.51 0.00 0.00 43.02 42.96 1k23 s PHE 207 CO 0.23 -0.42 0.75 2.41 0.70 0.00 0.00 175.22 178.89 1k23 n THR 208 N -0.41 0.01 -2.39 0.64 -1.04 -1.26 -1.15 114.28 108.68 1k23 n THR 208 Ca 0.01 -4.48 -0.43 0.00 -2.04 0.00 0.00 64.05 57.10 1k23 n THR 208 Cb 0.66 -0.21 -0.02 0.00 -1.82 0.00 0.00 70.33 68.94 1k23 n THR 208 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1k23 s LEU 209 N -2.51 3.80 -0.42 -4.42 2.34 -1.09 -3.51 118.68 112.86 1k23 s LEU 209 Ca 0.39 1.11 -0.00 0.00 0.06 0.00 0.00 54.13 55.69 1k23 s LEU 209 Cb 0.36 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 42.45 1k23 s LEU 209 CO -0.07 -1.19 0.02 0.61 -1.06 0.00 0.00 176.35 174.66 1k23 n GLY 210 N 4.55 0.19 3.00 -3.48 0.00 -1.26 -3.20 105.19 104.99 1k23 n GLY 210 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1k23 n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k23 n SER 211 N 0.99 0.00 -4.80 1.61 3.41 -1.23 -5.03 113.62 108.57 1k23 n SER 211 Ca -0.06 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.17 1k23 n SER 211 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1k23 n SER 211 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k23 s LYS 212 N -0.00 4.10 -0.23 4.33 -0.14 -1.19 -5.06 119.74 121.54 1k23 s LYS 212 Ca 0.00 0.52 -0.23 0.00 -1.36 0.00 0.00 55.97 54.91 1k23 s LYS 212 Cb 0.00 -3.27 -0.01 0.00 -1.68 0.00 0.00 37.83 32.87 1k23 s LYS 212 CO 0.00 0.56 0.74 0.21 -0.76 0.00 0.00 175.35 176.10 1k23 s LYS 213 N -0.73 4.18 0.08 1.68 2.20 -1.26 -2.67 119.74 123.22 1k23 s LYS 213 Ca 0.26 0.79 0.02 0.00 -0.36 0.00 0.00 55.97 56.68 1k23 s LYS 213 Cb -0.17 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 1k23 s LYS 213 CO 0.15 -0.42 -0.08 0.08 -0.36 0.00 0.00 175.35 174.72 1k23 s VAL 214 N 2.50 0.68 -0.03 4.02 1.01 -0.30 -0.54 120.40 127.75 1k23 s VAL 214 Ca 0.32 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1k23 s VAL 214 Cb -0.16 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1k23 s VAL 214 CO 0.09 -0.64 0.02 -0.70 0.00 0.00 0.00 175.10 173.86 1k23 s GLU 215 N -2.84 0.13 -0.17 2.72 2.12 -0.71 -0.24 118.70 119.70 1k23 s GLU 215 Ca 0.03 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.51 1k23 s GLU 215 Cb -0.02 -0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.02 1k23 s GLU 215 CO -0.02 -0.16 -0.15 0.42 -0.54 0.00 0.00 175.26 174.80 1k23 s ILE 216 N 1.11 1.77 0.02 -3.70 1.01 -0.82 -1.16 121.20 119.43 1k23 s ILE 216 Ca -0.09 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1k23 s ILE 216 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1k23 s ILE 216 CO -0.02 0.43 -0.05 0.00 0.00 0.00 0.00 174.94 175.29 1k23 s ALA 217 N 1.40 3.09 0.06 9.38 0.00 -0.73 -2.78 121.76 132.17 1k23 s ALA 217 Ca 0.04 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.04 1k23 s ALA 217 Cb -0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1k23 s ALA 217 CO -0.11 0.63 -0.22 -1.14 0.00 0.00 0.00 175.76 174.92 1k23 s GLN 218 N -1.60 1.41 -0.03 0.00 0.74 -0.65 -0.07 119.66 119.47 1k23 s GLN 218 Ca 0.19 -1.02 -0.01 0.00 0.05 0.00 0.00 55.36 54.57 1k23 s GLN 218 Cb -0.11 -1.58 0.03 0.00 1.10 0.00 0.00 33.01 32.45 1k23 s GLN 218 CO 0.10 0.40 0.03 0.08 -0.55 0.00 0.00 175.29 175.35 1k23 s VAL 219 N -0.87 -0.03 -0.23 1.34 1.01 -0.80 -4.09 120.40 116.72 1k23 s VAL 219 Ca 0.08 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 1k23 s VAL 219 Cb -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1k23 s VAL 219 CO 0.02 0.13 0.10 0.20 0.00 0.00 0.00 175.10 175.55 1k23 s ASN 220 N 1.42 5.53 0.24 3.32 0.01 -1.26 -0.93 114.94 123.27 1k23 s ASN 220 Ca -0.05 -0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 1k23 s ASN 220 Cb -0.13 -1.99 -0.05 0.00 0.41 0.00 0.00 41.25 39.50 1k23 s ASN 220 CO -0.03 0.04 0.09 0.28 -1.51 0.00 0.00 177.10 175.97 1k23 s THR 221 N 1.20 0.45 -2.44 1.60 -1.32 -0.48 -4.98 115.64 109.67 1k23 s THR 221 Ca 0.05 -2.00 0.23 0.00 -1.21 0.00 0.00 61.69 58.77 1k23 s THR 221 Cb -0.14 -2.55 0.45 0.00 -1.51 0.00 0.00 72.50 68.75 1k23 s THR 221 CO 0.04 -0.05 1.42 1.33 -2.21 0.00 0.00 174.62 175.15 1k23 n VAL 222 N -0.40 0.56 -3.15 5.08 0.24 -1.26 -1.50 118.33 117.90 1k23 n VAL 222 Ca -0.00 -0.78 0.04 0.00 -2.04 0.00 0.00 64.34 61.56 1k23 n VAL 222 Cb 0.66 0.94 -0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1k23 n VAL 222 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1k23 s ASP 223 N -1.44 -1.20 0.53 -1.34 -1.08 -1.26 -4.82 116.67 106.06 1k23 s ASP 223 Ca 0.40 0.31 0.26 0.00 -0.52 0.00 0.00 52.55 53.00 1k23 s ASP 223 Cb 0.23 1.83 1.41 0.00 -1.46 0.00 0.00 42.92 44.94 1k23 s ASP 223 CO 0.32 -0.22 2.00 0.40 0.52 0.00 0.00 175.17 178.19 1k23 h ILE 224 N 5.61 0.71 -0.97 4.11 2.04 -1.90 -0.87 117.51 126.24 1k23 h ILE 224 Ca -0.09 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.97 1k23 h ILE 224 Cb 1.18 0.73 -0.11 0.00 -0.74 0.00 0.00 36.82 37.88 1k23 h ILE 224 CO 0.09 0.00 0.56 -0.08 0.00 0.00 0.00 178.15 178.73 1k23 h GLU 225 N 0.00 0.66 -0.71 2.37 4.57 -1.97 0.21 114.58 119.71 1k23 h GLU 225 Ca 0.25 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.47 1k23 h GLU 225 Cb 1.01 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.40 1k23 h GLU 225 CO -0.00 0.44 0.47 -0.44 -1.18 0.00 0.00 179.01 178.29 1k23 h ASP 226 N 0.68 0.58 0.30 1.04 3.32 -1.58 -1.73 116.42 119.04 1k23 h ASP 226 Ca 0.57 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.38 1k23 h ASP 226 Cb 0.92 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1k23 h ASP 226 CO -0.41 0.36 -1.92 0.52 -1.72 0.00 0.00 179.24 176.07 1k23 n VAL 227 N -4.49 1.18 0.09 -1.35 0.31 0.06 -4.31 118.33 109.82 1k23 n VAL 227 Ca 0.11 -0.75 -0.07 0.00 -0.01 0.00 0.00 64.34 63.63 1k23 n VAL 227 Cb 0.29 -0.59 0.06 0.00 -0.91 0.00 0.00 33.84 32.70 1k23 n VAL 227 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1k23 h LYS 228 N 0.00 0.20 0.00 5.55 3.64 -0.47 -2.96 116.57 122.53 1k23 h LYS 228 Ca -0.31 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1k23 h LYS 228 Cb 1.84 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 1k23 h LYS 228 CO 0.04 0.85 0.05 -0.22 -2.27 0.00 0.00 179.45 177.90 1k23 h LYS 229 N 0.13 0.00 -0.71 1.90 3.11 -1.51 -1.16 116.57 118.33 1k23 h LYS 229 Ca -0.02 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 57.32 1k23 h LYS 229 Cb 1.30 0.00 -0.32 0.00 -1.00 0.00 0.00 32.23 32.21 1k23 h LYS 229 CO 0.11 0.00 -0.26 0.54 -2.81 0.00 0.00 179.45 177.03 1k23 n ARG 230 N -2.73 2.99 -0.01 1.90 1.74 -1.12 -4.74 116.66 114.70 1k23 n ARG 230 Ca -0.02 -3.75 -0.06 0.00 -0.77 0.00 0.00 57.85 53.25 1k23 n ARG 230 Cb 0.10 -2.17 0.14 0.00 -1.02 0.00 0.00 32.46 29.51 1k23 n ARG 230 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1k23 h GLN 231 N 1.87 0.55 0.01 5.56 4.15 -1.33 -2.12 115.11 123.81 1k23 h GLN 231 Ca 0.39 -0.25 0.02 0.00 0.77 0.00 0.00 58.65 59.58 1k23 h GLN 231 Cb 1.37 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 1k23 h GLN 231 CO 0.87 0.81 -0.12 0.00 -1.93 0.00 0.00 178.83 178.45 1k23 h ALA 232 N 1.17 -0.15 -0.28 3.38 0.00 -1.85 0.41 119.26 121.95 1k23 h ALA 232 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1k23 h ALA 232 Cb 0.80 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1k23 h ALA 232 CO 0.07 -0.62 -0.20 0.93 0.00 0.00 0.00 179.25 179.43 1k23 h GLU 233 N -0.22 0.51 0.14 0.00 3.07 -1.93 -2.61 114.58 113.54 1k23 h GLU 233 Ca 0.04 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1k23 h GLU 233 Cb 0.26 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1k23 h GLU 233 CO -0.11 0.68 -0.07 -0.07 -1.40 0.00 0.00 179.01 178.04 1k23 h LEU 234 N 0.46 -0.16 -1.61 1.33 -0.00 -0.86 -2.51 115.31 111.96 1k23 h LEU 234 Ca 0.08 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1k23 h LEU 234 Cb 0.60 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.28 1k23 h LEU 234 CO 0.04 0.07 0.30 -0.33 -0.00 0.00 0.00 178.44 178.52 1k23 h GLU 235 N -0.38 0.49 0.11 1.13 5.08 -0.89 0.12 114.58 120.25 1k23 h GLU 235 Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1k23 h GLU 235 Cb 0.31 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1k23 h GLU 235 CO 0.03 0.33 -0.06 0.00 -1.00 0.00 0.00 179.01 178.31 1k23 h ALA 236 N 1.74 -0.15 -0.18 3.43 0.00 -1.25 0.05 119.26 122.89 1k23 h ALA 236 Ca 0.18 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1k23 h ALA 236 Cb 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1k23 h ALA 236 CO -0.05 -0.52 -0.50 0.28 0.00 0.00 0.00 179.25 178.46 1k23 h VAL 237 N -0.29 1.32 -0.13 0.00 2.07 -1.13 -2.64 116.25 115.46 1k23 h VAL 237 Ca -0.02 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 1k23 h VAL 237 Cb 0.23 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1k23 h VAL 237 CO 0.03 0.53 0.02 0.40 0.02 0.00 0.00 177.57 178.57 1k23 h ILE 238 N 0.40 1.22 -0.38 4.57 2.04 -0.91 -2.34 117.51 122.11 1k23 h ILE 238 Ca 0.02 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1k23 h ILE 238 Cb 1.02 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1k23 h ILE 238 CO 0.09 0.21 0.26 0.28 0.00 0.00 0.00 178.15 178.99 1k23 h SER 239 N -0.01 0.26 -0.04 1.72 0.02 -0.93 0.25 113.55 114.83 1k23 h SER 239 Ca 0.04 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1k23 h SER 239 Cb 0.30 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1k23 h SER 239 CO 0.00 0.17 0.00 0.50 -1.14 0.00 0.00 176.83 176.37 1k23 h LYS 240 N 0.30 0.06 -0.74 3.45 3.64 -1.22 -2.30 116.57 119.75 1k23 h LYS 240 Ca 0.16 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1k23 h LYS 240 Cb 0.28 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1k23 h LYS 240 CO -0.03 0.35 0.49 0.28 -2.27 0.00 0.00 179.45 178.26 1k23 h VAL 241 N -0.23 1.19 -0.34 2.00 2.07 -0.77 -0.32 116.25 119.86 1k23 h VAL 241 Ca 0.01 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1k23 h VAL 241 Cb 0.32 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1k23 h VAL 241 CO 0.00 0.19 0.23 0.58 0.02 0.00 0.00 177.57 178.59 1k23 h VAL 242 N 1.01 1.01 0.04 2.57 2.07 -0.92 -0.73 116.25 121.29 1k23 h VAL 242 Ca 0.27 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 1k23 h VAL 242 Cb -0.11 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1k23 h VAL 242 CO -0.06 0.06 -0.30 0.00 0.02 0.00 0.00 177.57 177.29 1k23 h ALA 243 N 1.81 -0.01 -0.47 1.67 0.00 -0.62 -1.54 119.26 120.10 1k23 h ALA 243 Ca 0.14 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1k23 h ALA 243 Cb 0.15 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1k23 h ALA 243 CO -0.03 0.13 0.10 0.93 0.00 0.00 0.00 179.25 180.38 1k23 h GLU 244 N -0.65 0.72 -0.30 0.00 5.08 -0.85 -3.03 114.58 115.56 1k23 h GLU 244 Ca -0.05 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1k23 h GLU 244 Cb 1.17 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1k23 h GLU 244 CO 0.06 0.66 0.00 1.63 -1.00 0.00 0.00 179.01 180.36 1k23 n LYS 245 N -4.29 2.38 -3.88 2.33 5.02 -0.30 -4.98 118.16 114.44 1k23 n LYS 245 Ca 0.03 -2.16 -0.25 0.00 -2.02 0.00 0.00 58.31 53.91 1k23 n LYS 245 Cb 0.22 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1k23 n LYS 245 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1k23 n ASN 246 N 1.39 -0.98 -4.77 4.39 3.02 -0.89 -4.93 115.26 112.50 1k23 n ASN 246 Ca 0.17 -0.97 -0.40 0.00 -0.03 0.00 0.00 54.58 53.36 1k23 n ASN 246 Cb 0.58 -3.28 -0.06 0.00 -0.61 0.00 0.00 39.78 36.42 1k23 n ASN 246 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k23 s LEU 247 N -6.86 4.59 0.26 3.41 1.43 -0.63 -4.81 118.68 116.07 1k23 s LEU 247 Ca 0.05 1.67 0.23 0.00 -1.03 0.00 0.00 54.13 55.06 1k23 s LEU 247 Cb -0.02 -3.33 0.27 0.00 0.03 0.00 0.00 46.19 43.14 1k23 s LEU 247 CO 0.87 0.19 1.36 0.44 0.23 0.00 0.00 176.35 179.44 1k23 h ASP 248 N 4.40 0.00 -2.92 2.29 3.32 -1.15 -3.44 116.42 118.91 1k23 h ASP 248 Ca -0.47 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 56.59 1k23 h ASP 248 Cb 1.21 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.51 1k23 h ASP 248 CO 0.67 0.02 0.24 -0.22 -1.72 0.00 0.00 179.24 178.23 1k23 s LEU 249 N -5.25 -0.68 -0.22 1.55 2.96 -1.21 -0.39 118.68 115.43 1k23 s LEU 249 Ca 0.05 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 1k23 s LEU 249 Cb 0.09 2.06 0.05 0.00 0.50 0.00 0.00 46.19 48.90 1k23 s LEU 249 CO 0.72 -0.18 -0.07 0.12 -1.32 0.00 0.00 176.35 175.61 1k23 s PHE 250 N 1.22 2.39 -0.35 5.38 5.36 -0.53 -1.73 117.98 129.72 1k23 s PHE 250 Ca -0.07 -1.69 -0.09 0.00 -0.96 0.00 0.00 56.93 54.12 1k23 s PHE 250 Cb -0.04 -1.59 0.02 0.00 -0.34 0.00 0.00 43.02 41.06 1k23 s PHE 250 CO -0.14 -0.76 0.16 -1.17 -1.46 0.00 0.00 175.22 171.84 1k23 s LEU 251 N 1.40 4.41 -0.12 6.12 2.96 -0.31 -2.05 118.68 131.09 1k23 s LEU 251 Ca -0.04 -0.92 -0.20 0.00 -0.22 0.00 0.00 54.13 52.75 1k23 s LEU 251 Cb -0.18 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1k23 s LEU 251 CO -0.07 -0.32 0.57 -0.22 -1.32 0.00 0.00 176.35 174.99 1k23 s LEU 252 N 1.52 4.26 -0.42 -0.68 2.96 0.16 -1.78 118.68 124.70 1k23 s LEU 252 Ca 0.02 0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1k23 s LEU 252 Cb -0.19 -2.84 0.11 0.00 0.50 0.00 0.00 46.19 43.78 1k23 s LEU 252 CO 0.05 -0.08 0.23 -0.69 -1.32 0.00 0.00 176.35 174.54 1k23 s VAL 253 N 0.91 3.39 -0.75 1.68 1.01 0.90 -0.60 120.40 126.94 1k23 s VAL 253 Ca 0.30 -2.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.00 1k23 s VAL 253 Cb -0.16 -3.31 0.10 0.00 0.00 0.00 0.00 36.38 33.01 1k23 s VAL 253 CO 0.13 -0.71 0.97 -0.63 0.00 0.00 0.00 175.10 174.86 1k23 s ILE 254 N 1.11 4.60 -0.06 2.22 1.01 0.18 -1.91 121.20 128.35 1k23 s ILE 254 Ca 0.08 -1.00 -0.25 0.00 0.00 0.00 0.00 60.65 59.49 1k23 s ILE 254 Cb -0.23 -4.68 -0.03 0.00 0.01 0.00 0.00 42.46 37.53 1k23 s ILE 254 CO -0.04 -1.40 0.75 -0.89 0.00 0.00 0.00 174.94 173.36 1k23 s THR 255 N 3.18 5.01 -0.55 2.92 2.01 -0.11 -0.45 115.64 127.65 1k23 s THR 255 Ca 0.24 1.56 -0.20 0.00 0.31 0.00 0.00 61.69 63.59 1k23 s THR 255 Cb -0.13 -4.09 0.07 0.00 0.01 0.00 0.00 72.50 68.35 1k23 s THR 255 CO 0.01 0.22 0.72 -0.62 -0.69 0.00 0.00 174.62 174.27 1k23 s ASP 256 N 0.86 6.22 0.12 3.53 -1.08 -0.23 -1.38 116.67 124.71 1k23 s ASP 256 Ca 0.40 -0.96 0.15 0.00 -0.52 0.00 0.00 52.55 51.62 1k23 s ASP 256 Cb -0.18 -2.33 0.68 0.00 -1.46 0.00 0.00 42.92 39.63 1k23 s ASP 256 CO 0.19 -1.05 1.47 2.30 0.52 0.00 0.00 175.17 178.61 1k23 n ILE 257 N 5.71 1.15 -0.07 4.11 -5.35 -0.56 -1.01 119.36 123.34 1k23 n ILE 257 Ca -0.06 0.36 -0.14 0.00 -0.27 0.00 0.00 62.75 62.65 1k23 n ILE 257 Cb 0.45 -1.25 -0.11 0.00 -1.74 0.00 0.00 39.64 37.00 1k23 n ILE 257 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1k23 h LEU 258 N 0.00 0.00 -0.94 7.28 3.38 -1.88 -3.37 115.31 119.78 1k23 h LEU 258 Ca 0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1k23 h LEU 258 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1k23 h LEU 258 CO 0.00 1.03 -0.12 -0.62 0.09 0.00 0.00 178.44 178.81 1k23 n GLU 259 N -4.60 1.45 -2.52 1.13 -0.58 -1.15 -4.80 120.64 109.57 1k23 n GLU 259 Ca -0.13 -0.94 -0.16 0.00 -0.42 0.00 0.00 57.16 55.51 1k23 n GLU 259 Cb 0.45 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1k23 n GLU 259 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1k23 n ASN 260 N 0.04 -4.63 -4.39 1.62 3.02 -0.18 -4.87 115.26 105.88 1k23 n ASN 260 Ca 0.15 0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.48 1k23 n ASN 260 Cb 0.39 -3.88 -0.13 0.00 -0.61 0.00 0.00 39.78 35.55 1k23 n ASN 260 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1k23 s ASP 261 N -2.12 3.32 -0.04 6.41 1.01 -1.24 -2.99 116.67 121.02 1k23 s ASP 261 Ca 0.04 -0.75 0.01 0.00 0.71 0.00 0.00 52.55 52.56 1k23 s ASP 261 Cb -0.02 -0.22 0.02 0.00 1.01 0.00 0.00 42.92 43.71 1k23 s ASP 261 CO 0.05 0.18 -0.03 -0.94 0.21 0.00 0.00 175.17 174.63 1k23 s SER 262 N -2.08 0.81 0.20 0.27 1.04 -0.94 -1.07 113.70 111.93 1k23 s SER 262 Ca 0.14 -0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 1k23 s SER 262 Cb -0.10 -0.39 -0.08 0.00 0.10 0.00 0.00 66.02 65.55 1k23 s SER 262 CO 0.06 -0.06 0.91 -0.22 0.98 0.00 0.00 173.24 174.91 1k23 s LEU 263 N 0.92 4.61 -0.10 2.42 0.20 0.40 -1.09 118.68 126.06 1k23 s LEU 263 Ca -0.11 1.87 -0.00 0.00 0.69 0.00 0.00 54.13 56.58 1k23 s LEU 263 Cb -0.14 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.04 1k23 s LEU 263 CO -0.00 0.13 -0.08 0.00 -0.29 0.00 0.00 176.35 176.11 1k23 s ALA 264 N -0.97 2.90 -0.32 5.97 0.00 -0.51 0.49 121.76 129.32 1k23 s ALA 264 Ca 0.41 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1k23 s ALA 264 Cb -0.25 -1.28 0.09 0.00 0.00 0.00 0.00 23.12 21.68 1k23 s ALA 264 CO 0.31 0.44 0.03 -1.17 0.00 0.00 0.00 175.76 175.36 1k23 s LEU 265 N -0.34 4.38 -0.19 0.00 2.96 0.24 -2.39 118.68 123.34 1k23 s LEU 265 Ca 0.05 -2.00 -0.07 0.00 -0.22 0.00 0.00 54.13 51.89 1k23 s LEU 265 Cb -0.12 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1k23 s LEU 265 CO 0.02 -0.35 0.05 0.00 -1.32 0.00 0.00 176.35 174.76 1k23 s ALA 266 N 0.98 3.35 -0.14 5.97 0.00 -0.75 -0.67 121.76 130.50 1k23 s ALA 266 Ca 0.08 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1k23 s ALA 266 Cb -0.19 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.06 1k23 s ALA 266 CO -0.09 0.11 -0.02 0.42 0.00 0.00 0.00 175.76 176.19 1k23 s ILE 267 N 0.50 0.79 -5.00 0.00 -1.09 -0.87 -4.78 121.20 110.74 1k23 s ILE 267 Ca 0.03 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 1k23 s ILE 267 Cb -0.13 -1.02 0.00 0.00 -1.58 0.00 0.00 42.46 39.73 1k23 s ILE 267 CO 0.01 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 1k23 n GLY 268 N 4.99 -1.73 0.12 6.18 0.00 -1.26 -1.46 105.19 112.03 1k23 n GLY 268 Ca -0.10 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 1k23 n GLY 268 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1k23 h ASN 269 N 0.00 0.48 -0.12 1.61 -0.26 -1.02 -3.23 115.58 113.05 1k23 h ASN 269 Ca 0.00 -0.88 -0.01 0.00 -0.56 0.00 0.00 56.30 54.85 1k23 h ASN 269 Cb 0.00 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1k23 h ASN 269 CO 0.00 1.32 0.01 -0.62 -1.06 0.00 0.00 177.43 177.08 1k23 n GLU 270 N -4.17 1.70 0.05 0.81 -0.58 -0.68 -4.23 120.64 113.54 1k23 n GLU 270 Ca -0.12 -0.60 0.04 0.00 -0.42 0.00 0.00 57.16 56.06 1k23 n GLU 270 Cb 0.76 -1.61 0.20 0.00 -0.57 0.00 0.00 31.44 30.23 1k23 n GLU 270 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k23 n ALA 271 N 0.13 1.10 0.37 0.62 0.00 -1.22 -0.21 120.51 121.29 1k23 n ALA 271 Ca 0.06 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1k23 n ALA 271 Cb 0.46 -1.12 0.12 0.00 0.00 0.00 0.00 19.45 18.91 1k23 n ALA 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k23 h ALA 272 N 2.05 0.62 0.00 0.00 0.00 -1.88 -3.29 119.26 116.76 1k23 h ALA 272 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k23 h ALA 272 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1k23 h ALA 272 CO 0.00 0.00 -0.06 0.87 0.00 0.00 0.00 179.25 180.06 1k23 h LYS 273 N 0.00 0.00 0.02 0.00 6.56 -0.93 -1.51 116.57 120.71 1k23 h LYS 273 Ca 0.00 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.37 1k23 h LYS 273 Cb 0.86 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.52 1k23 h LYS 273 CO 0.00 0.06 -0.95 0.28 -2.06 0.00 0.00 179.45 176.78 1k23 h VAL 274 N 0.00 1.47 -0.08 0.50 2.07 -1.67 -1.84 116.25 116.70 1k23 h VAL 274 Ca -0.00 -2.65 -0.11 0.00 0.82 0.00 0.00 66.70 64.75 1k23 h VAL 274 Cb 0.54 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1k23 h VAL 274 CO 0.01 0.78 -0.47 -0.33 0.02 0.00 0.00 177.57 177.58 1k23 h GLU 275 N 0.14 0.19 0.07 1.57 5.08 -1.45 -2.67 114.58 117.51 1k23 h GLU 275 Ca -0.07 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1k23 h GLU 275 Cb 1.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1k23 h GLU 275 CO 0.15 0.62 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.53 1k23 h LYS 276 N 0.16 -0.09 -0.00 2.33 3.64 -1.29 -1.32 116.57 119.99 1k23 h LYS 276 Ca 0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1k23 h LYS 276 Cb 0.89 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1k23 h LYS 276 CO 0.07 0.11 0.01 0.00 -2.27 0.00 0.00 179.45 177.36 1k23 h ALA 277 N -0.83 1.28 -0.00 5.00 0.00 -1.43 -2.44 119.26 120.84 1k23 h ALA 277 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k23 h ALA 277 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1k23 h ALA 277 CO 0.02 -0.01 -0.09 1.19 0.00 0.00 0.00 179.25 180.36 1k23 n PHE 278 N -3.48 0.00 -3.24 0.00 3.01 -1.01 -4.87 117.46 107.88 1k23 n PHE 278 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 1k23 n PHE 278 Cb 0.08 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1k23 n PHE 278 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1k23 n ASN 279 N -0.18 -6.97 -3.61 4.37 2.85 -0.79 -5.02 115.26 105.92 1k23 n ASN 279 Ca 0.03 -0.44 -0.15 0.00 -0.11 0.00 0.00 54.58 53.90 1k23 n ASN 279 Cb 0.13 -4.84 -0.07 0.00 1.24 0.00 0.00 39.78 36.24 1k23 n ASN 279 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1k23 s VAL 280 N -3.18 0.00 -0.26 3.44 -7.23 -0.57 -5.04 120.40 107.56 1k23 s VAL 280 Ca 0.20 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1k23 s VAL 280 Cb -0.04 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.46 1k23 s VAL 280 CO 0.77 0.00 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.66 1k23 s THR 281 N -3.57 1.55 -0.01 5.32 2.01 -1.26 -4.60 115.64 115.08 1k23 s THR 281 Ca 0.35 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 1k23 s THR 281 Cb 0.02 -1.92 -0.06 0.00 0.01 0.00 0.00 72.50 70.56 1k23 s THR 281 CO 0.19 -0.27 1.47 -0.76 -0.69 0.00 0.00 174.62 174.56 1k23 s LEU 282 N 1.35 4.32 -0.39 4.42 1.43 -1.26 -4.73 118.68 123.82 1k23 s LEU 282 Ca -0.01 2.16 0.02 0.00 -1.03 0.00 0.00 54.13 55.27 1k23 s LEU 282 Cb -0.19 -3.56 0.12 0.00 0.03 0.00 0.00 46.19 42.59 1k23 s LEU 282 CO -0.09 -0.78 0.16 -1.61 0.23 0.00 0.00 176.35 174.26 1k23 s GLU 283 N 2.73 1.23 0.00 1.70 2.02 -1.15 -4.58 118.70 120.64 1k23 s GLU 283 Ca 0.66 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.89 1k23 s GLU 283 Cb -0.32 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1k23 s GLU 283 CO 0.27 -1.05 0.00 -1.71 0.02 0.00 0.00 175.26 172.79 1k23 n ASN 284 N 4.05 -1.15 0.00 -0.19 5.15 -1.26 -3.74 115.26 118.13 1k23 n ASN 284 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1k23 n ASN 284 Cb 0.38 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1k23 n ASN 284 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1k23 n ASN 285 N 0.90 -3.25 -4.11 1.20 4.13 -1.26 -5.00 115.26 107.88 1k23 n ASN 285 Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 1k23 n ASN 285 Cb 0.05 -1.23 -0.16 0.00 -1.54 0.00 0.00 39.78 36.90 1k23 n ASN 285 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1k23 s THR 286 N -1.94 1.99 -0.01 3.41 2.01 -1.24 -1.81 115.64 118.04 1k23 s THR 286 Ca 0.00 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1k23 s THR 286 Cb 0.00 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.70 1k23 s THR 286 CO 0.00 0.53 -0.04 0.00 -0.69 0.00 0.00 174.62 174.42 1k23 s ALA 287 N 1.32 0.38 -0.34 7.40 0.00 -1.00 -2.93 121.76 126.59 1k23 s ALA 287 Ca 0.05 -0.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.56 1k23 s ALA 287 Cb -0.13 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1k23 s ALA 287 CO -0.13 0.08 1.05 -1.17 0.00 0.00 0.00 175.76 175.59 1k23 s LEU 288 N 0.02 3.92 -0.82 0.00 2.96 -1.26 -1.43 118.68 122.07 1k23 s LEU 288 Ca 0.00 0.92 -0.18 0.00 -0.22 0.00 0.00 54.13 54.65 1k23 s LEU 288 Cb -0.03 -3.49 0.14 0.00 0.50 0.00 0.00 46.19 43.31 1k23 s LEU 288 CO -0.00 -0.90 0.95 -0.76 -1.32 0.00 0.00 176.35 174.32 1k23 s LEU 289 N 3.67 5.43 0.39 -0.68 1.43 -0.25 -4.97 118.68 123.70 1k23 s LEU 289 Ca 0.44 -1.98 -0.27 0.00 -1.03 0.00 0.00 54.13 51.29 1k23 s LEU 289 Cb -0.12 -2.34 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 1k23 s LEU 289 CO 0.17 -1.00 1.41 -0.54 0.23 0.00 0.00 176.35 176.62 1k23 s LYS 290 N 2.26 4.06 0.00 1.70 1.02 -1.26 -2.21 119.74 125.30 1k23 s LYS 290 Ca 0.24 2.40 0.00 0.00 0.02 0.00 0.00 55.97 58.63 1k23 s LYS 290 Cb -0.11 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1k23 s LYS 290 CO -0.05 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 1k23 n GLY 291 N 0.59 1.69 3.67 -3.33 0.00 -1.16 -4.90 105.19 101.75 1k23 n GLY 291 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1k23 n GLY 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k23 s VAL 292 N -2.01 4.60 0.00 1.61 1.01 -1.17 -4.83 120.40 119.60 1k23 s VAL 292 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1k23 s VAL 292 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1k23 s VAL 292 CO 0.00 -0.08 0.00 0.52 0.00 0.00 0.00 175.10 175.54 1k23 n VAL 293 N 4.94 0.00 -5.23 2.92 0.31 -1.26 -3.21 118.33 116.80 1k23 n VAL 293 Ca 0.11 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.12 1k23 n VAL 293 Cb 0.47 -0.05 -0.16 0.00 -0.91 0.00 0.00 33.84 33.18 1k23 n VAL 293 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1k23 s SER 294 N -1.15 3.16 0.08 4.52 0.15 -1.26 -5.02 113.70 114.19 1k23 s SER 294 Ca 0.00 -0.49 0.19 0.00 0.70 0.00 0.00 55.95 56.36 1k23 s SER 294 Cb 0.00 -0.88 -0.12 0.00 -1.71 0.00 0.00 66.02 63.31 1k23 s SER 294 CO 0.00 0.25 0.81 -2.11 1.20 0.00 0.00 173.24 173.39 1k23 n ARG 295 N 2.94 0.62 0.06 5.44 1.85 -1.26 -1.76 116.66 124.55 1k23 n ARG 295 Ca -0.17 0.13 -0.10 0.00 -1.00 0.00 0.00 57.85 56.70 1k23 n ARG 295 Cb 0.52 -1.77 0.02 0.00 -1.05 0.00 0.00 32.46 30.18 1k23 n ARG 295 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1k23 h LYS 296 N 0.00 0.39 0.00 2.89 1.79 -1.96 0.39 116.57 120.07 1k23 h LYS 296 Ca -0.11 -0.33 -0.35 0.00 -2.18 0.00 0.00 60.65 57.67 1k23 h LYS 296 Cb 1.36 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 32.02 1k23 h LYS 296 CO 0.02 0.98 -2.33 1.63 -1.08 0.00 0.00 179.45 178.68 1k23 n LYS 297 N -3.82 0.84 -0.00 3.15 5.02 -1.26 -4.51 118.16 117.58 1k23 n LYS 297 Ca -0.04 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.28 1k23 n LYS 297 Cb 0.73 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.19 1k23 n LYS 297 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1k23 n GLN 298 N -2.75 0.45 -0.09 1.97 6.02 -0.72 -4.68 117.38 117.59 1k23 n GLN 298 Ca -0.32 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 56.48 1k23 n GLN 298 Cb 1.12 -1.13 -0.04 0.00 1.02 0.00 0.00 30.24 31.20 1k23 n GLN 298 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1k23 n VAL 299 N -1.69 1.45 -0.22 5.09 0.31 -0.90 -4.42 118.33 117.94 1k23 n VAL 299 Ca -0.01 0.03 -0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1k23 n VAL 299 Cb 0.16 -2.16 0.11 0.00 -0.91 0.00 0.00 33.84 31.05 1k23 n VAL 299 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1k23 h VAL 300 N -0.90 0.84 -0.07 2.52 2.07 -0.49 -1.92 116.25 118.31 1k23 h VAL 300 Ca -0.17 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 1k23 h VAL 300 Cb 1.08 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1k23 h VAL 300 CO -0.11 0.10 -0.45 1.55 0.02 0.00 0.00 177.57 178.68 1k23 h PRO 301 N 0.52 0.16 0.00 1.57 0.13 -1.80 -2.04 132.00 130.54 1k23 h PRO 301 Ca 0.32 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 65.33 1k23 h PRO 301 Cb 0.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1k23 h PRO 301 CO -0.26 0.59 -0.38 -0.24 -0.23 0.00 0.00 178.00 177.48 1k23 h VAL 302 N 0.13 0.22 0.00 1.56 3.04 -1.71 -3.19 116.25 116.30 1k23 h VAL 302 Ca 0.01 -1.33 -0.10 0.00 -1.01 0.00 0.00 66.70 64.26 1k23 h VAL 302 Cb 0.86 2.01 -0.02 0.00 -2.01 0.00 0.00 31.29 32.13 1k23 h VAL 302 CO 0.07 0.13 -1.40 -0.11 -1.01 0.00 0.00 177.57 175.24 1k23 n LEU 303 N -3.04 0.70 0.04 3.16 0.00 -0.74 -3.56 117.00 113.57 1k23 n LEU 303 Ca 0.02 0.29 -0.10 0.00 0.00 0.00 0.00 56.01 56.22 1k23 n LEU 303 Cb 0.60 0.04 0.03 0.00 0.00 0.00 0.00 43.42 44.10 1k23 n LEU 303 CO 0.37 0.04 0.37 0.74 0.00 0.00 0.00 177.39 178.91 1k23 h THR 304 N 0.00 1.37 -0.29 1.96 2.02 -1.45 -2.87 112.91 113.65 1k23 h THR 304 Ca -0.11 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 64.99 1k23 h THR 304 Cb 1.36 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 1k23 h THR 304 CO 0.02 0.63 0.00 -0.67 0.37 0.00 0.00 175.52 175.87 1k23 n ASP 305 N -3.86 1.63 -0.31 4.18 -0.08 -1.20 -4.85 116.55 112.07 1k23 n ASP 305 Ca -0.04 -1.96 0.04 0.00 -1.51 0.00 0.00 54.79 51.32 1k23 n ASP 305 Cb 0.69 -0.19 0.03 0.00 2.34 0.00 0.00 41.12 43.99 1k23 n ASP 305 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32