#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 4.60 0.11 5.31 2.20 -1.26 -4.37 119.74 126.32 1k23 s LYS 3 Ca 0.00 1.20 0.10 0.00 -0.36 0.00 0.00 55.97 56.91 1k23 s LYS 3 Cb 0.00 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1k23 s LYS 3 CO 0.00 0.50 -0.26 0.42 -0.36 0.00 0.00 175.35 175.65 1k23 s ILE 4 N -0.92 2.28 -0.18 5.43 1.01 -0.03 -4.49 121.20 124.31 1k23 s ILE 4 Ca 0.37 -1.64 -0.01 0.00 0.00 0.00 0.00 60.65 59.37 1k23 s ILE 4 Cb -0.23 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 1k23 s ILE 4 CO 0.27 0.16 -0.11 -0.76 0.00 0.00 0.00 174.94 174.50 1k23 s LEU 5 N -1.86 2.65 -0.16 2.97 1.02 -1.20 -2.18 118.68 119.92 1k23 s LEU 5 Ca 0.14 -0.43 -0.03 0.00 0.02 0.00 0.00 54.13 53.83 1k23 s LEU 5 Cb -0.10 -1.63 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 1k23 s LEU 5 CO 0.05 0.05 -0.06 -0.63 0.02 0.00 0.00 176.35 175.79 1k23 s ILE 6 N 1.03 3.62 0.12 -0.59 1.01 -0.77 -1.01 121.20 124.61 1k23 s ILE 6 Ca -0.01 -0.45 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 1k23 s ILE 6 Cb -0.15 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 39.81 1k23 s ILE 6 CO -0.02 0.49 0.58 0.72 0.00 0.00 0.00 174.94 176.71 1k23 s PHE 7 N 0.55 -0.51 0.00 3.97 -0.12 -0.94 -0.22 117.98 120.71 1k23 s PHE 7 Ca -0.04 0.41 0.00 0.00 -0.05 0.00 0.00 56.93 57.24 1k23 s PHE 7 Cb -0.15 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1k23 s PHE 7 CO 0.03 -0.79 0.00 0.41 -0.05 0.00 0.00 175.22 174.82 1k23 n GLY 8 N -0.13 1.51 3.88 1.99 0.00 -1.25 -2.05 105.19 109.14 1k23 n GLY 8 Ca -0.17 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1k23 n GLY 8 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1k23 s HIS 9 N 1.73 1.45 0.80 1.61 -3.43 -1.26 -4.77 115.29 111.43 1k23 s HIS 9 Ca 0.00 0.36 -0.12 0.00 -0.80 0.00 0.00 55.06 54.50 1k23 s HIS 9 Cb 0.00 -4.00 0.07 0.00 -1.43 0.00 0.00 32.58 27.22 1k23 s HIS 9 CO 0.00 -2.83 1.11 -0.65 -2.00 0.00 0.00 174.74 170.38 1k23 s GLN 10 N -5.81 2.06 -1.20 -0.38 -0.21 -0.36 -3.86 119.66 109.90 1k23 s GLN 10 Ca 0.73 0.49 -0.14 0.00 0.02 0.00 0.00 55.36 56.46 1k23 s GLN 10 Cb -0.05 -1.93 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 1k23 s GLN 10 CO 0.53 -1.60 0.73 0.09 -2.12 0.00 0.00 175.29 172.93 1k23 n ASN 11 N -3.39 -4.08 -4.67 5.90 3.02 -1.26 -4.77 115.26 106.01 1k23 n ASN 11 Ca 0.07 -0.97 -0.54 0.00 -0.03 0.00 0.00 54.58 53.11 1k23 n ASN 11 Cb 0.57 -3.56 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 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 -4.16 1.30 -2.80 3.52 -0.04 -1.25 -5.03 135.00 126.53 1k23 n PRO 12 Ca -0.15 0.47 -0.20 0.00 -0.04 0.00 0.00 63.50 63.58 1k23 n PRO 12 Cb 0.62 -2.16 0.04 0.00 -0.04 0.00 0.00 33.50 31.96 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 2.47 5.23 0.56 3.54 3.84 -1.26 -4.55 116.67 126.50 1k23 s ASP 13 Ca 0.92 -0.31 0.25 0.00 -0.00 0.00 0.00 52.55 53.41 1k23 s ASP 13 Cb -0.98 -0.50 1.60 0.00 -1.38 0.00 0.00 42.92 41.66 1k23 s ASP 13 CO 0.57 -1.16 2.20 0.74 -0.00 0.00 0.00 175.17 177.52 1k23 h THR 14 N 0.17 0.69 0.17 2.11 2.02 -1.95 -2.01 112.91 114.10 1k23 h THR 14 Ca -0.39 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1k23 h THR 14 Cb 1.29 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1k23 h THR 14 CO 0.46 0.02 -0.08 -0.78 0.37 0.00 0.00 175.52 175.51 1k23 h ASP 15 N 0.00 -0.19 -0.84 4.18 -0.00 -1.93 -0.17 116.42 117.47 1k23 h ASP 15 Ca -0.00 -0.32 0.15 0.00 -0.00 0.00 0.00 57.03 56.86 1k23 h ASP 15 Cb 0.04 0.05 -0.06 0.00 -0.00 0.00 0.00 39.33 39.36 1k23 h ASP 15 CO 0.00 0.27 0.55 0.74 -0.00 0.00 0.00 179.24 180.81 1k23 h THR 16 N -0.72 0.81 0.00 2.25 2.02 -1.77 0.19 112.91 115.68 1k23 h THR 16 Ca -0.02 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1k23 h THR 16 Cb 0.50 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1k23 h THR 16 CO 0.04 0.10 -0.14 0.40 0.37 0.00 0.00 175.52 176.29 1k23 h ILE 17 N 0.57 0.78 -0.22 3.11 1.08 -1.36 -3.26 117.51 118.21 1k23 h ILE 17 Ca 0.42 -1.62 -0.00 0.00 -0.39 0.00 0.00 64.86 63.26 1k23 h ILE 17 Cb 0.80 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.06 1k23 h ILE 17 CO -0.17 0.26 0.12 0.00 -0.69 0.00 0.00 178.15 177.68 1k23 h SER 19 N 0.26 0.86 -0.19 0.00 0.02 -0.82 0.41 113.55 114.08 1k23 h SER 19 Ca 0.08 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1k23 h SER 19 Cb 0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1k23 h SER 19 CO -0.01 0.60 0.10 0.00 -1.14 0.00 0.00 176.83 176.37 1k23 h ALA 20 N 1.53 0.25 -0.43 3.77 0.00 -1.56 0.17 119.26 122.99 1k23 h ALA 20 Ca 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1k23 h ALA 20 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1k23 h ALA 20 CO -0.09 -0.20 0.17 0.82 0.00 0.00 0.00 179.25 179.96 1k23 h ILE 21 N 0.19 1.20 0.25 0.00 2.04 -0.96 -1.68 117.51 118.54 1k23 h ILE 21 Ca 0.07 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1k23 h ILE 21 Cb 0.11 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1k23 h ILE 21 CO -0.01 0.23 -0.15 0.00 0.00 0.00 0.00 178.15 178.22 1k23 h ALA 22 N 1.02 -0.38 -0.30 1.87 0.00 0.13 -2.17 119.26 119.43 1k23 h ALA 22 Ca 0.14 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1k23 h ALA 22 Cb 0.19 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1k23 h ALA 22 CO -0.01 -0.72 -0.17 -0.92 0.00 0.00 0.00 179.25 177.43 1k23 h TYR 23 N -0.39 0.60 -0.88 0.00 3.20 -0.67 -2.07 116.97 116.76 1k23 h TYR 23 Ca -0.02 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.77 1k23 h TYR 23 Cb 0.32 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1k23 h TYR 23 CO -0.09 0.69 0.57 0.00 -1.64 0.00 0.00 178.16 177.69 1k23 h ALA 24 N 1.32 1.17 0.60 1.82 0.00 -1.14 0.25 119.26 123.29 1k23 h ALA 24 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1k23 h ALA 24 Cb 0.58 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1k23 h ALA 24 CO 0.04 0.41 -0.29 0.22 0.00 0.00 0.00 179.25 179.63 1k23 h ASP 25 N 1.10 -0.68 -0.58 0.00 -0.00 -0.83 -0.05 116.42 115.38 1k23 h ASP 25 Ca 0.36 -0.00 0.12 0.00 -0.00 0.00 0.00 57.03 57.50 1k23 h ASP 25 Cb 0.03 0.18 -0.10 0.00 -0.00 0.00 0.00 39.33 39.43 1k23 h ASP 25 CO -0.12 -0.44 -0.04 0.25 -0.00 0.00 0.00 179.24 178.89 1k23 h LEU 26 N -0.88 -0.33 -0.02 2.28 6.46 -0.85 0.19 115.31 122.17 1k23 h LEU 26 Ca -0.08 0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1k23 h LEU 26 Cb 0.64 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.83 1k23 h LEU 26 CO 0.14 -0.13 -0.11 0.11 -0.62 0.00 0.00 178.44 177.83 1k23 h LYS 27 N 0.08 -0.17 -0.71 1.25 1.79 -0.36 -2.10 116.57 116.36 1k23 h LYS 27 Ca 0.29 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1k23 h LYS 27 Cb 0.46 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 1k23 h LYS 27 CO -0.52 -0.11 0.43 -0.91 -1.08 0.00 0.00 179.45 177.26 1k23 h ASN 28 N -0.18 0.85 0.14 0.86 2.35 0.29 -0.47 115.58 119.42 1k23 h ASN 28 Ca 0.05 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1k23 h ASN 28 Cb 0.24 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1k23 h ASN 28 CO -0.12 0.66 0.00 0.11 -1.65 0.00 0.00 177.43 176.43 1k23 h LYS 29 N 0.96 0.00 -0.66 0.81 1.79 -0.27 0.11 116.57 119.32 1k23 h LYS 29 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1k23 h LYS 29 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1k23 h LYS 29 CO -0.05 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.60 1k23 n LEU 30 N -2.73 4.38 0.00 2.94 4.77 -0.21 -4.93 117.00 121.22 1k23 n LEU 30 Ca -0.02 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 1k23 n LEU 30 Cb 0.09 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1k23 n LEU 30 CO 0.17 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1k23 n GLY 31 N 1.16 0.75 3.92 -0.72 0.00 0.38 -5.06 105.19 105.62 1k23 n GLY 31 Ca 0.24 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 1.57 -0.69 1.61 0.40 -1.05 -5.01 117.98 112.81 1k23 s PHE 32 Ca 0.00 -0.84 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 1k23 s PHE 32 Cb 0.00 -1.94 0.17 0.00 0.51 0.00 0.00 43.02 41.75 1k23 s PHE 32 CO 0.00 -0.57 0.49 1.21 0.70 0.00 0.00 175.22 177.05 1k23 s ASN 33 N -4.33 4.95 0.10 1.36 2.47 -1.26 -4.36 114.94 113.86 1k23 s ASN 33 Ca 0.37 -3.57 0.10 0.00 0.42 0.00 0.00 52.86 50.18 1k23 s ASN 33 Cb -0.03 -1.70 -0.04 0.00 -1.45 0.00 0.00 41.25 38.03 1k23 s ASN 33 CO 0.23 -0.16 -0.24 0.00 -3.72 0.00 0.00 177.10 173.22 1k23 s ALA 34 N -1.07 2.45 -0.06 1.71 0.00 -1.26 -0.85 121.76 122.67 1k23 s ALA 34 Ca 0.23 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1k23 s ALA 34 Cb -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1k23 s ALA 34 CO -0.11 0.55 -0.06 -2.00 0.00 0.00 0.00 175.76 174.14 1k23 s GLU 35 N -1.82 1.10 0.24 0.00 2.12 -0.92 -4.88 118.70 114.54 1k23 s GLU 35 Ca 0.14 -0.18 -0.30 0.00 0.36 0.00 0.00 54.97 55.00 1k23 s GLU 35 Cb -0.10 -1.07 -0.09 0.00 0.26 0.00 0.00 34.13 33.13 1k23 s GLU 35 CO 0.06 -0.09 1.27 -2.14 -0.54 0.00 0.00 175.26 173.82 1k23 s PRO 36 N 1.02 4.42 0.01 4.30 0.02 -1.26 -1.85 135.00 141.66 1k23 s PRO 36 Ca -0.09 2.05 -0.02 0.00 0.02 0.00 0.00 61.00 62.96 1k23 s PRO 36 Cb -0.14 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 1k23 s PRO 36 CO -0.00 -0.16 0.03 0.08 -0.33 0.00 0.00 177.00 176.62 1k23 s VAL 37 N -0.39 0.08 0.24 3.83 1.01 0.70 -3.89 120.40 121.98 1k23 s VAL 37 Ca 0.53 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.91 1k23 s VAL 37 Cb -0.36 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1k23 s VAL 37 CO 0.42 -0.38 -0.07 0.00 0.00 0.00 0.00 175.10 175.07 1k23 s ARG 38 N -1.19 2.12 0.00 2.72 1.70 -0.65 -4.18 118.95 119.47 1k23 s ARG 38 Ca -0.13 -1.41 0.09 0.00 -0.47 0.00 0.00 55.73 53.81 1k23 s ARG 38 Cb -0.08 -2.10 0.21 0.00 -0.57 0.00 0.00 34.95 32.41 1k23 s ARG 38 CO -0.00 0.39 1.11 1.28 -1.08 0.00 0.00 175.30 177.00 1k23 n LEU 39 N -0.50 2.54 0.00 -1.89 4.77 -1.26 -1.82 117.00 118.84 1k23 n LEU 39 Ca -0.08 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 1k23 n LEU 39 Cb 0.58 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1k23 n LEU 39 CO 0.38 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1k23 n GLY 40 N 0.38 1.93 3.76 -0.72 0.00 -1.26 -4.76 105.19 104.52 1k23 n GLY 40 Ca 0.09 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.25 4.63 -0.24 1.61 1.11 -1.26 -4.90 119.66 119.36 1k23 s GLN 41 Ca 0.00 1.67 -0.26 0.00 0.01 0.00 0.00 55.36 56.78 1k23 s GLN 41 Cb 0.00 -3.11 0.00 0.00 -1.01 0.00 0.00 33.01 28.89 1k23 s GLN 41 CO 0.00 0.25 0.91 0.08 0.01 0.00 0.00 175.29 176.54 1k23 s VAL 42 N -1.25 4.78 0.79 1.09 1.01 -1.26 -4.51 120.40 121.04 1k23 s VAL 42 Ca 0.45 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 64.06 1k23 s VAL 42 Cb -0.29 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 31.97 1k23 s VAL 42 CO 0.36 -0.11 1.12 0.54 0.00 0.00 0.00 175.10 177.01 1k23 s ASN 43 N 1.28 4.63 0.28 3.32 2.20 -1.26 -4.77 114.94 120.62 1k23 s ASN 43 Ca 0.38 1.10 0.03 0.00 -0.94 0.00 0.00 52.86 53.43 1k23 s ASN 43 Cb -0.15 -1.79 0.66 0.00 -2.00 0.00 0.00 41.25 37.97 1k23 s ASN 43 CO 0.07 -1.86 1.74 1.23 -2.94 0.00 0.00 177.10 175.34 1k23 h GLY 44 N -1.01 1.54 0.86 0.45 0.00 -1.82 0.25 103.07 103.33 1k23 h GLY 44 Ca -0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 1k23 h GLY 44 CO 0.62 -0.14 -0.22 -2.09 0.00 0.00 0.00 176.54 174.71 1k23 h GLU 45 N 0.55 -0.50 -0.14 4.80 4.81 -1.77 -1.17 114.58 121.16 1k23 h GLU 45 Ca 0.53 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.83 1k23 h GLU 45 Cb 0.89 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1k23 h GLU 45 CO -0.44 -0.34 -0.12 1.15 -0.73 0.00 0.00 179.01 178.54 1k23 h THR 46 N -0.52 0.67 -0.35 0.32 2.02 -1.74 -2.95 112.91 110.36 1k23 h THR 46 Ca -0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1k23 h THR 46 Cb 0.44 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1k23 h THR 46 CO 0.01 0.00 -0.44 1.56 0.37 0.00 0.00 175.52 177.02 1k23 h GLN 47 N -0.13 -0.29 -0.96 6.66 1.08 -0.64 -0.97 115.11 119.87 1k23 h GLN 47 Ca 0.09 0.02 0.31 0.00 -1.45 0.00 0.00 58.65 57.62 1k23 h GLN 47 Cb 0.26 0.07 -0.16 0.00 -0.05 0.00 0.00 27.48 27.60 1k23 h GLN 47 CO -0.22 -0.19 0.32 -0.92 -0.95 0.00 0.00 178.83 176.87 1k23 h TYR 48 N -0.30 0.48 -0.30 2.96 3.20 -1.05 0.33 116.97 122.29 1k23 h TYR 48 Ca 0.06 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.83 1k23 h TYR 48 Cb 0.46 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1k23 h TYR 48 CO -0.72 -0.33 -0.41 0.00 -1.64 0.00 0.00 178.16 175.06 1k23 h ALA 49 N 1.90 0.46 -0.36 1.82 0.00 -1.15 0.71 119.26 122.64 1k23 h ALA 49 Ca 0.68 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1k23 h ALA 49 Cb 1.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1k23 h ALA 49 CO -0.75 0.57 0.14 -0.07 0.00 0.00 0.00 179.25 179.15 1k23 h LEU 50 N 0.58 0.49 0.06 0.00 3.38 0.73 -2.04 115.31 118.51 1k23 h LEU 50 Ca 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1k23 h LEU 50 Cb 1.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1k23 h LEU 50 CO 0.10 0.53 -0.03 0.44 0.09 0.00 0.00 178.44 179.56 1k23 h ASP 51 N 0.43 -0.07 -1.00 -0.43 3.32 -0.72 0.19 116.42 118.15 1k23 h ASP 51 Ca 0.12 -0.34 0.19 0.00 0.02 0.00 0.00 57.03 57.02 1k23 h ASP 51 Cb 0.19 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 39.65 1k23 h ASP 51 CO -0.01 0.31 0.61 0.22 -1.72 0.00 0.00 179.24 178.65 1k23 h TYR 52 N -0.46 1.02 -0.70 4.55 3.20 -0.81 -0.21 116.97 123.57 1k23 h TYR 52 Ca -0.01 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.63 1k23 h TYR 52 Cb 0.40 -0.31 -0.16 0.00 1.54 0.00 0.00 36.73 38.21 1k23 h TYR 52 CO 0.05 0.24 0.29 1.19 -1.64 0.00 0.00 178.16 178.29 1k23 n PHE 53 N -4.72 2.26 -3.95 -3.82 3.01 -0.77 -4.97 117.46 104.50 1k23 n PHE 53 Ca 0.23 -1.40 -0.38 0.00 1.01 0.00 0.00 57.45 56.91 1k23 n PHE 53 Cb 0.57 -0.69 0.02 0.00 -0.01 0.00 0.00 39.48 39.37 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 -0.59 -0.72 -4.77 -1.08 5.02 -0.09 -4.91 118.16 111.02 1k23 n LYS 54 Ca 0.43 0.33 -0.26 0.00 -2.02 0.00 0.00 58.31 56.79 1k23 n LYS 54 Cb 1.36 -2.60 -0.16 0.00 -0.02 0.00 0.00 35.03 33.61 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 -6.50 1.80 0.28 1.97 -1.52 0.64 -5.03 119.66 111.29 1k23 s GLN 55 Ca 0.33 -0.56 -0.29 0.00 -1.95 0.00 0.00 55.36 52.89 1k23 s GLN 55 Cb -0.18 -1.53 -0.10 0.00 -0.22 0.00 0.00 33.01 30.99 1k23 s GLN 55 CO 0.94 0.18 1.31 -2.00 -0.25 0.00 0.00 175.29 175.47 1k23 s GLU 56 N 0.23 4.37 -0.08 2.91 2.56 -1.26 -4.55 118.70 122.89 1k23 s GLU 56 Ca -0.08 2.15 -0.30 0.00 0.00 0.00 0.00 54.97 56.75 1k23 s GLU 56 Cb -0.13 -3.12 -0.05 0.00 2.00 0.00 0.00 34.13 32.83 1k23 s GLU 56 CO 0.03 -0.21 1.67 0.45 -0.56 0.00 0.00 175.26 176.64 1k23 s SER 57 N -0.16 6.59 0.31 -1.70 0.15 -1.26 -4.92 113.70 112.70 1k23 s SER 57 Ca 0.52 2.15 -0.27 0.00 0.70 0.00 0.00 55.95 59.06 1k23 s SER 57 Cb -0.39 -2.53 -0.14 0.00 -1.71 0.00 0.00 66.02 61.25 1k23 s SER 57 CO 0.47 -1.00 0.86 -0.81 1.20 0.00 0.00 173.24 173.96 1k23 n PRO 58 N 7.26 1.02 -1.66 5.44 -0.04 -1.26 -4.83 135.00 140.92 1k23 n PRO 58 Ca 0.18 0.36 -0.45 0.00 -0.04 0.00 0.00 63.50 63.55 1k23 n PRO 58 Cb 0.43 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.69 2.00 -2.59 0.54 0.63 -1.25 -4.35 116.66 112.33 1k23 n ARG 59 Ca 0.11 0.71 -0.37 0.00 -0.92 0.00 0.00 57.85 57.38 1k23 n ARG 59 Cb 0.33 -2.38 -0.05 0.00 0.45 0.00 0.00 32.46 30.81 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 0.26 4.28 -0.01 6.15 2.96 -1.26 -1.64 118.68 129.41 1k23 s LEU 60 Ca 0.70 2.04 -0.05 0.00 -0.22 0.00 0.00 54.13 56.61 1k23 s LEU 60 Cb -0.67 -4.02 -0.00 0.00 0.50 0.00 0.00 46.19 42.00 1k23 s LEU 60 CO 0.48 -0.31 0.09 -0.69 -1.32 0.00 0.00 176.35 174.59 1k23 s VAL 61 N -1.54 0.06 -0.09 1.68 1.01 -0.75 -4.91 120.40 115.86 1k23 s VAL 61 Ca 0.53 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 62.08 1k23 s VAL 61 Cb -0.23 -0.31 -0.14 0.00 0.00 0.00 0.00 36.38 35.69 1k23 s VAL 61 CO 0.29 -0.29 0.08 -0.62 0.00 0.00 0.00 175.10 174.56 1k23 n GLU 62 N 1.96 1.84 -3.76 2.72 1.02 -1.26 -4.54 120.64 118.61 1k23 n GLU 62 Ca -0.20 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 56.81 1k23 n GLU 62 Cb 0.56 -1.28 -0.07 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.38 0.10 -0.02 2.62 -4.23 -1.26 -4.22 115.64 106.25 1k23 s THR 63 Ca -0.05 -0.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1k23 s THR 63 Cb 0.04 -1.09 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 1k23 s THR 63 CO 0.46 -0.45 0.01 0.00 -0.54 0.00 0.00 174.62 174.10 1k23 n ALA 64 N 0.25 1.95 -0.32 3.99 0.00 -1.26 -4.72 120.51 120.39 1k23 n ALA 64 Ca -0.17 -0.14 0.18 0.00 0.00 0.00 0.00 53.44 53.31 1k23 n ALA 64 Cb 0.61 0.22 0.39 0.00 0.00 0.00 0.00 19.45 20.67 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 0.10 1.67 0.00 0.00 0.00 -1.83 0.36 119.26 119.55 1k23 h ALA 65 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1k23 h ALA 65 Cb 1.13 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1k23 h ALA 65 CO 0.00 -0.47 0.00 -2.95 0.00 0.00 0.00 179.25 175.84 1k23 h ASN 66 N 0.34 0.00 0.00 0.00 7.08 -1.96 -3.32 115.58 117.72 1k23 h ASN 66 Ca 0.65 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 53.64 1k23 h ASN 66 Cb 1.37 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.57 1k23 h ASN 66 CO -0.59 0.00 -1.88 -0.62 -2.08 0.00 0.00 177.43 172.26 1k23 n GLU 67 N -2.73 0.88 -4.30 4.14 1.02 0.11 -5.08 120.64 114.69 1k23 n GLU 67 Ca 0.01 0.06 -0.19 0.00 -0.02 0.00 0.00 57.16 57.02 1k23 n GLU 67 Cb 0.25 -1.31 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.31 0.05 -0.04 2.62 -7.23 -0.36 -4.98 120.40 108.16 1k23 s VAL 68 Ca -0.17 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1k23 s VAL 68 Cb 0.05 -2.49 -0.12 0.00 0.56 0.00 0.00 36.38 34.38 1k23 s VAL 68 CO 0.41 0.00 0.13 0.59 -0.31 0.00 0.00 175.10 175.92 1k23 n ASN 69 N -1.41 2.99 -4.07 4.85 5.03 -1.26 -4.36 115.26 117.03 1k23 n ASN 69 Ca 0.06 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.32 1k23 n ASN 69 Cb 0.63 1.15 -0.14 0.00 -1.02 0.00 0.00 39.78 40.39 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 -3.37 0.58 0.21 7.41 0.00 -1.26 -1.24 107.32 109.63 1k23 s GLY 70 Ca -0.04 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.17 1k23 s GLY 70 CO 0.35 -0.50 -0.04 -1.34 0.00 0.00 0.00 173.10 171.57 1k23 s VAL 71 N -0.46 1.15 -0.12 1.40 -7.23 -0.31 -3.26 120.40 111.56 1k23 s VAL 71 Ca 0.03 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1k23 s VAL 71 Cb -0.05 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.72 1k23 s VAL 71 CO 0.00 -0.47 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.55 1k23 s ILE 72 N -3.35 1.51 -0.08 -0.62 1.01 -0.18 -0.13 121.20 119.36 1k23 s ILE 72 Ca 0.25 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 1k23 s ILE 72 Cb 0.04 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 1k23 s ILE 72 CO 0.06 0.45 0.36 -0.76 0.00 0.00 0.00 174.94 175.04 1k23 s LEU 73 N 1.18 4.36 0.05 2.97 1.43 -0.48 -2.22 118.68 125.97 1k23 s LEU 73 Ca -0.02 0.75 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1k23 s LEU 73 Cb -0.14 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 1k23 s LEU 73 CO -0.05 0.21 -0.17 0.68 0.23 0.00 0.00 176.35 177.25 1k23 s VAL 74 N -0.32 1.36 -1.00 -1.59 -7.23 -0.87 -1.01 120.40 109.74 1k23 s VAL 74 Ca 0.21 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1k23 s VAL 74 Cb -0.15 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.58 1k23 s VAL 74 CO 0.09 0.06 0.00 -0.67 -0.31 0.00 0.00 175.10 174.27 1k23 n ASP 75 N 1.79 -5.23 -3.65 4.85 2.03 -0.29 -4.01 116.55 112.05 1k23 n ASP 75 Ca -0.18 0.23 0.01 0.00 0.52 0.00 0.00 54.79 55.37 1k23 n ASP 75 Cb 0.54 -3.56 -0.00 0.00 -0.72 0.00 0.00 41.12 37.38 1k23 n ASP 75 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1k23 s HIS 76 N -1.99 -0.05 0.00 -0.67 -3.43 -1.26 -4.71 115.29 103.18 1k23 s HIS 76 Ca 0.00 -0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.16 1k23 s HIS 76 Cb 0.00 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.72 1k23 s HIS 76 CO 0.00 -0.38 0.00 0.27 -2.00 0.00 0.00 174.74 172.63 1k23 n ASN 77 N -0.54 0.00 -4.74 7.38 0.23 -1.26 -4.85 115.26 111.48 1k23 n ASN 77 Ca -0.07 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.56 1k23 n ASN 77 Cb 0.62 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.30 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 -0.29 4.33 0.17 -3.83 2.02 -1.25 -4.51 118.70 115.34 1k23 s GLU 78 Ca 0.00 2.17 -0.24 0.00 0.02 0.00 0.00 54.97 56.92 1k23 s GLU 78 Cb 0.00 -3.15 0.05 0.00 0.10 0.00 0.00 34.13 31.12 1k23 s GLU 78 CO 0.00 -0.33 1.58 0.00 0.02 0.00 0.00 175.26 176.53 1k23 h ARG 79 N 5.22 -0.25 -1.00 1.61 3.08 -1.40 -1.70 114.38 119.95 1k23 h ARG 79 Ca -0.45 0.02 0.25 0.00 0.07 0.00 0.00 59.98 59.87 1k23 h ARG 79 Cb 1.22 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 31.25 1k23 h ARG 79 CO 0.78 -0.17 0.66 1.96 -1.07 0.00 0.00 179.97 182.13 1k23 h GLN 80 N -0.26 0.33 0.00 0.04 7.50 -1.91 0.32 115.11 121.13 1k23 h GLN 80 Ca 0.17 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.30 1k23 h GLN 80 Cb 0.56 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1k23 h GLN 80 CO -0.61 0.22 -0.09 1.04 -1.50 0.00 0.00 178.83 177.89 1k23 n GLN 81 N -4.53 0.27 -2.50 1.46 6.02 -0.66 -4.88 117.38 112.56 1k23 n GLN 81 Ca 0.23 0.20 -0.25 0.00 -0.01 0.00 0.00 57.00 57.17 1k23 n GLN 81 Cb 0.85 -1.79 0.14 0.00 1.02 0.00 0.00 30.24 30.46 1k23 n GLN 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1k23 s SER 82 N -4.51 3.91 1.04 1.08 0.15 0.11 -1.23 113.70 114.25 1k23 s SER 82 Ca 0.10 -0.39 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 1k23 s SER 82 Cb 0.12 0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.68 1k23 s SER 82 CO 0.62 -2.18 0.12 0.00 1.20 0.00 0.00 173.24 173.00 1k23 n ILE 83 N -3.08 0.00 0.10 6.45 3.06 -1.26 -4.80 119.36 119.82 1k23 n ILE 83 Ca 0.17 -0.25 -0.13 0.00 -2.50 0.00 0.00 62.75 60.04 1k23 n ILE 83 Cb 0.61 -0.58 -0.08 0.00 0.54 0.00 0.00 39.64 40.13 1k23 n ILE 83 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 1k23 h LYS 84 N -1.78 -0.25 -1.23 9.51 3.64 -1.93 -3.23 116.57 121.29 1k23 h LYS 84 Ca -0.48 0.02 -0.40 0.00 -1.27 0.00 0.00 60.65 58.51 1k23 h LYS 84 Cb 1.32 0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 33.01 1k23 h LYS 84 CO 0.36 0.09 0.52 -0.40 -2.27 0.00 0.00 179.45 177.74 1k23 n ASP 85 N -5.04 5.71 0.18 4.20 5.75 -1.26 -4.56 116.55 121.53 1k23 n ASP 85 Ca -0.09 -3.21 0.08 0.00 -0.01 0.00 0.00 54.79 51.56 1k23 n ASP 85 Cb 0.24 -0.93 0.59 0.00 -1.03 0.00 0.00 41.12 40.00 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 0.88 1.00 0.00 2.12 6.09 -1.92 -0.49 117.51 125.19 1k23 h ILE 86 Ca 0.40 -0.04 -0.01 0.00 -1.37 0.00 0.00 64.86 63.83 1k23 h ILE 86 Cb 1.34 0.86 -0.00 0.00 0.47 0.00 0.00 36.82 39.49 1k23 h ILE 86 CO 0.92 0.02 -0.07 -0.08 -3.07 0.00 0.00 178.15 175.88 1k23 h GLU 87 N 0.13 0.00 -0.52 2.19 4.57 -1.89 -2.89 114.58 116.16 1k23 h GLU 87 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1k23 h GLU 87 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1k23 h GLU 87 CO -0.01 0.07 0.00 0.39 -1.18 0.00 0.00 179.01 178.28 1k23 n GLU 88 N -3.59 2.21 -4.30 1.92 1.02 -0.19 -4.93 120.64 112.78 1k23 n GLU 88 Ca -0.02 -1.87 -0.16 0.00 -0.02 0.00 0.00 57.16 55.09 1k23 n GLU 88 Cb 0.18 -1.41 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.32 0.56 -0.25 2.62 -7.23 -1.09 -4.76 120.40 108.92 1k23 s VAL 89 Ca 0.35 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.40 1k23 s VAL 89 Cb 0.18 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 1k23 s VAL 89 CO 0.23 -0.06 0.21 -1.58 -0.31 0.00 0.00 175.10 173.59 1k23 s GLN 90 N -4.02 4.04 -0.64 4.82 0.74 -0.37 -4.97 119.66 119.25 1k23 s GLN 90 Ca 0.36 -0.21 -0.27 0.00 0.05 0.00 0.00 55.36 55.29 1k23 s GLN 90 Cb 0.08 -3.58 0.02 0.00 1.10 0.00 0.00 33.01 30.62 1k23 s GLN 90 CO 0.12 -0.05 1.42 0.08 -0.55 0.00 0.00 175.29 176.32 1k23 s VAL 91 N 1.37 3.70 0.19 1.34 1.01 -1.26 -1.16 120.40 125.59 1k23 s VAL 91 Ca 0.09 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 1k23 s VAL 91 Cb -0.15 -4.57 0.02 0.00 0.00 0.00 0.00 36.38 31.69 1k23 s VAL 91 CO 0.07 -1.42 1.59 -0.07 0.00 0.00 0.00 175.10 175.28 1k23 h LEU 92 N 13.57 0.91 -7.10 3.92 4.07 -0.90 -3.46 115.31 126.31 1k23 h LEU 92 Ca -0.27 -0.34 0.06 0.00 0.08 0.00 0.00 57.88 57.41 1k23 h LEU 92 Cb 1.08 -0.25 -0.13 0.00 1.08 0.00 0.00 40.66 42.45 1k23 h LEU 92 CO 1.23 1.09 0.36 -1.83 -1.08 0.00 0.00 178.44 178.21 1k23 s GLU 93 N -4.64 1.10 -0.03 1.13 -1.05 -1.25 -2.64 118.70 111.31 1k23 s GLU 93 Ca -0.10 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 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 0.85 -0.48 0.00 0.08 0.95 0.00 0.00 175.26 176.67 1k23 s VAL 94 N -3.44 0.16 -0.27 1.83 1.01 -0.59 -1.39 120.40 117.71 1k23 s VAL 94 Ca 0.04 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1k23 s VAL 94 Cb -0.01 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 36.15 1k23 s VAL 94 CO -0.09 0.15 -0.08 -0.63 0.00 0.00 0.00 175.10 174.46 1k23 s ILE 95 N 1.14 2.44 0.34 2.22 -1.09 -0.18 -0.96 121.20 125.10 1k23 s ILE 95 Ca -0.08 -1.54 -0.01 0.00 -2.23 0.00 0.00 60.65 56.79 1k23 s ILE 95 Cb -0.13 -2.42 -0.00 0.00 -1.58 0.00 0.00 42.46 38.33 1k23 s ILE 95 CO -0.02 -0.05 0.43 -0.62 -1.23 0.00 0.00 174.94 173.45 1k23 s ASP 96 N 1.15 1.02 0.00 3.58 2.15 -1.04 -1.14 116.67 122.40 1k23 s ASP 96 Ca -0.08 -1.52 0.15 0.00 0.43 0.00 0.00 52.55 51.52 1k23 s ASP 96 Cb -0.20 0.64 0.24 0.00 -0.30 0.00 0.00 42.92 43.30 1k23 s ASP 96 CO -0.04 -1.24 1.06 0.00 -0.17 0.00 0.00 175.17 174.78 1k23 n HIS 97 N -0.56 0.00 -4.74 -5.34 1.44 -1.26 -2.58 115.22 102.18 1k23 n HIS 97 Ca 0.02 -0.39 -0.32 0.00 -2.01 0.00 0.00 57.72 55.02 1k23 n HIS 97 Cb 0.62 0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.69 1k23 n HIS 97 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1k23 s HIS 98 N 0.00 1.78 1.06 -1.40 3.76 -1.26 -4.71 115.29 114.52 1k23 s HIS 98 Ca 0.19 -1.05 -0.12 0.00 -0.15 0.00 0.00 55.06 53.93 1k23 s HIS 98 Cb 0.22 -1.51 0.23 0.00 1.11 0.00 0.00 32.58 32.62 1k23 s HIS 98 CO -0.10 0.11 1.07 -0.98 -0.85 0.00 0.00 174.74 173.99 1k23 s ARG 99 N -3.86 -0.10 -0.21 1.40 1.70 -1.26 -4.99 118.95 111.64 1k23 s ARG 99 Ca 0.05 1.00 -0.04 0.00 -0.47 0.00 0.00 55.73 56.27 1k23 s ARG 99 Cb 0.01 -1.64 -0.02 0.00 -0.57 0.00 0.00 34.95 32.73 1k23 s ARG 99 CO 0.03 -3.22 -0.02 0.42 -1.08 0.00 0.00 175.30 171.43 1k23 s ILE 100 N -2.60 3.64 0.05 4.99 1.01 -1.26 -4.88 121.20 122.16 1k23 s ILE 100 Ca 0.67 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 60.64 1k23 s ILE 100 Cb -0.23 -2.65 0.09 0.00 0.01 0.00 0.00 42.46 39.68 1k23 s ILE 100 CO 0.62 0.42 0.76 0.00 0.00 0.00 0.00 174.94 176.74 1k23 s ALA 101 N 1.23 -1.73 -1.58 9.38 0.00 -1.26 -4.94 121.76 122.86 1k23 s ALA 101 Ca 0.03 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 1k23 s ALA 101 Cb -0.14 0.51 0.09 0.00 0.00 0.00 0.00 23.12 23.58 1k23 s ALA 101 CO -0.00 -0.68 0.60 0.09 0.00 0.00 0.00 175.76 175.77 1k23 n ASN 102 N -0.15 -1.91 -3.84 0.00 3.02 -1.26 -3.75 115.26 107.36 1k23 n ASN 102 Ca -0.13 -1.03 -0.12 0.00 -0.03 0.00 0.00 54.58 53.27 1k23 n ASN 102 Cb 0.63 -2.79 -0.11 0.00 -0.61 0.00 0.00 39.78 36.89 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 -3.62 -0.08 -0.21 3.10 5.36 -1.26 -1.24 117.98 120.04 1k23 s PHE 103 Ca 0.42 0.18 -0.28 0.00 -0.96 0.00 0.00 56.93 56.28 1k23 s PHE 103 Cb -0.23 0.01 0.13 0.00 -0.34 0.00 0.00 43.02 42.59 1k23 s PHE 103 CO 0.92 -0.19 1.02 -2.00 -1.46 0.00 0.00 175.22 173.51 1k23 s GLU 104 N -0.62 0.55 0.05 10.12 2.12 -1.26 -5.10 118.70 124.56 1k23 s GLU 104 Ca -0.07 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.60 1k23 s GLU 104 Cb -0.04 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 1k23 s GLU 104 CO 0.01 -0.14 -0.13 0.95 -0.54 0.00 0.00 175.26 175.42 1k23 s THR 105 N -0.62 0.97 -0.12 -1.70 -4.23 -1.26 -5.03 115.64 103.65 1k23 s THR 105 Ca 0.00 -1.07 0.16 0.00 -1.18 0.00 0.00 61.69 59.60 1k23 s THR 105 Cb -0.02 -0.92 -0.08 0.00 1.34 0.00 0.00 72.50 72.82 1k23 s THR 105 CO -0.02 -0.13 1.02 0.00 -0.54 0.00 0.00 174.62 174.96 1k23 h ALA 106 N 4.71 0.65 -1.88 3.99 0.00 -2.01 -3.47 119.26 121.25 1k23 h ALA 106 Ca -0.38 -0.73 -0.59 0.00 0.00 0.00 0.00 54.91 53.21 1k23 h ALA 106 Cb 1.19 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 1k23 h ALA 106 CO 0.42 0.84 -0.64 -2.00 0.00 0.00 0.00 179.25 177.88 1k23 s GLU 107 N -2.93 1.80 1.04 0.00 2.56 -1.26 -5.14 118.70 114.77 1k23 s GLU 107 Ca -0.01 -1.97 -0.13 0.00 0.00 0.00 0.00 54.97 52.86 1k23 s GLU 107 Cb 0.08 -1.50 0.21 0.00 2.00 0.00 0.00 34.13 34.93 1k23 s GLU 107 CO 0.79 0.02 1.09 -2.14 -0.56 0.00 0.00 175.26 174.46 1k23 s PRO 108 N -3.70 0.11 0.12 4.30 0.02 -1.26 -5.06 135.00 129.54 1k23 s PRO 108 Ca 0.33 0.45 -0.26 0.00 0.02 0.00 0.00 61.00 61.55 1k23 s PRO 108 Cb 0.06 -1.71 0.08 0.00 0.02 0.00 0.00 34.50 32.95 1k23 s PRO 108 CO 0.16 -2.93 1.06 -0.48 -0.33 0.00 0.00 177.00 174.48 1k23 s LEU 109 N -6.57 -0.11 -0.88 -5.54 -0.00 -1.26 -5.01 118.68 99.31 1k23 s LEU 109 Ca 0.66 -0.40 -0.18 0.00 -0.00 0.00 0.00 54.13 54.22 1k23 s LEU 109 Cb -0.18 1.95 0.15 0.00 -0.00 0.00 0.00 46.19 48.11 1k23 s LEU 109 CO 0.58 -0.77 1.03 -0.47 -0.00 0.00 0.00 176.35 176.71 1k23 s TYR 110 N -2.84 3.24 -0.23 3.48 5.04 -1.08 -5.00 117.35 119.94 1k23 s TYR 110 Ca 0.15 -1.47 -0.09 0.00 -2.44 0.00 0.00 57.07 53.22 1k23 s TYR 110 Cb -0.00 -4.17 -0.04 0.00 0.35 0.00 0.00 41.96 38.09 1k23 s TYR 110 CO 0.01 -1.38 0.12 -0.47 -1.34 0.00 0.00 175.55 172.50 1k23 s TYR 111 N 2.20 3.24 -0.31 4.97 5.04 -1.26 -1.54 117.35 129.69 1k23 s TYR 111 Ca 0.28 0.06 -0.03 0.00 -2.44 0.00 0.00 57.07 54.94 1k23 s TYR 111 Cb -0.07 -2.23 0.10 0.00 0.35 0.00 0.00 41.96 40.11 1k23 s TYR 111 CO -0.08 -0.02 0.13 0.50 -1.34 0.00 0.00 175.55 174.74 1k23 s ARG 112 N 1.09 0.40 -0.00 4.97 3.52 -0.14 -4.96 118.95 123.82 1k23 s ARG 112 Ca 0.06 -0.79 0.06 0.00 -0.13 0.00 0.00 55.73 54.93 1k23 s ARG 112 Cb -0.14 -1.43 -0.03 0.00 -1.56 0.00 0.00 34.95 31.79 1k23 s ARG 112 CO 0.04 -1.03 -0.19 0.00 -0.81 0.00 0.00 175.30 173.31 1k23 s ALA 113 N 1.82 2.52 0.06 6.12 0.00 -1.26 -2.49 121.76 128.54 1k23 s ALA 113 Ca 0.10 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1k23 s ALA 113 Cb -0.17 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1k23 s ALA 113 CO -0.29 0.56 -0.11 -1.21 0.00 0.00 0.00 175.76 174.70 1k23 s GLU 114 N -1.02 0.68 0.00 0.00 2.02 -1.07 -4.99 118.70 114.32 1k23 s GLU 114 Ca 0.13 -0.85 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 1k23 s GLU 114 Cb -0.10 -0.58 -0.12 0.00 0.10 0.00 0.00 34.13 33.42 1k23 s GLU 114 CO 0.02 0.12 2.29 -2.30 0.02 0.00 0.00 175.26 175.42 1k23 n PRO 115 N 1.40 1.19 -3.77 0.39 -0.02 -1.26 -4.45 135.00 128.49 1k23 n PRO 115 Ca -0.22 -0.46 -0.24 0.00 -2.02 0.00 0.00 63.50 60.56 1k23 n PRO 115 Cb 0.54 -1.59 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 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 1.16 2.02 -2.32 -1.45 -7.23 -1.26 -4.97 120.40 106.34 1k23 s VAL 116 Ca 0.31 -1.44 0.29 0.00 -1.81 0.00 0.00 61.98 59.32 1k23 s VAL 116 Cb 0.15 -2.46 0.60 0.00 0.56 0.00 0.00 36.38 35.23 1k23 s VAL 116 CO 0.00 0.00 1.83 0.61 -0.31 0.00 0.00 175.10 177.23 1k23 n GLY 117 N -1.69 -0.27 3.62 2.32 0.00 -1.23 -4.89 105.19 103.06 1k23 n GLY 117 Ca 0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 3.89 1.01 -0.60 0.00 2.02 -1.91 -2.36 112.91 114.96 1k23 h THR 119 Ca -0.29 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1k23 h THR 119 Cb 1.16 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1k23 h THR 119 CO 0.08 0.13 0.39 0.00 0.37 0.00 0.00 175.52 176.49 1k23 h ALA 120 N 1.61 1.55 -0.90 6.16 0.00 -1.94 -1.94 119.26 123.81 1k23 h ALA 120 Ca 0.31 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.28 1k23 h ALA 120 Cb 0.28 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1k23 h ALA 120 CO -0.11 0.41 0.58 1.15 0.00 0.00 0.00 179.25 181.28 1k23 h THR 121 N 0.82 0.95 0.02 0.00 2.02 -1.81 0.01 112.91 114.91 1k23 h THR 121 Ca 0.22 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1k23 h THR 121 Cb -0.07 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 1k23 h THR 121 CO -0.05 0.16 -0.01 0.40 0.37 0.00 0.00 175.52 176.40 1k23 h ILE 122 N 0.88 1.39 -0.54 3.11 2.04 -1.47 -3.08 117.51 119.84 1k23 h ILE 122 Ca 0.42 -1.30 0.10 0.00 1.00 0.00 0.00 64.86 65.09 1k23 h ILE 122 Cb 0.44 2.26 -0.09 0.00 -0.74 0.00 0.00 36.82 38.69 1k23 h ILE 122 CO -0.18 0.33 0.02 -0.07 0.00 0.00 0.00 178.15 178.25 1k23 h LEU 123 N -0.59 -0.19 -1.26 1.44 3.38 -0.97 0.16 115.31 117.27 1k23 h LEU 123 Ca -0.00 0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.31 1k23 h LEU 123 Cb 0.56 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 1k23 h LEU 123 CO 0.00 -0.07 0.63 -1.13 0.09 0.00 0.00 178.44 177.96 1k23 h ASN 124 N 0.14 0.56 0.00 -0.43 -1.24 -1.03 0.15 115.58 113.73 1k23 h ASN 124 Ca 0.27 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.36 1k23 h ASN 124 Cb 0.42 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1k23 h ASN 124 CO -0.44 0.17 0.00 0.29 -1.29 0.00 0.00 177.43 176.17 1k23 n LYS 125 N -4.65 0.37 0.00 6.67 5.02 0.57 -3.10 118.16 123.03 1k23 n LYS 125 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1k23 n LYS 125 Cb 0.72 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 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 -0.09 2.13 4.02 0.52 -0.34 117.16 124.03 1k23 n TYR 127 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1k23 n TYR 127 Cb 0.15 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.62 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 0.76 -0.56 -0.72 1.57 -1.80 0.14 116.57 115.96 1k23 h LYS 128 Ca 0.00 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1k23 h LYS 128 Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1k23 h LYS 128 CO 0.00 0.82 0.26 0.93 -0.57 0.00 0.00 179.45 180.90 1k23 h GLU 129 N 0.69 0.79 -0.34 3.15 5.08 -0.98 -1.42 114.58 121.56 1k23 h GLU 129 Ca 0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1k23 h GLU 129 Cb 0.54 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1k23 h GLU 129 CO 0.03 0.62 0.00 0.09 -1.00 0.00 0.00 179.01 178.75 1k23 n ASN 130 N -4.36 2.80 -3.43 1.42 3.02 -1.01 -4.99 115.26 108.70 1k23 n ASN 130 Ca 0.05 -1.90 -0.27 0.00 -0.03 0.00 0.00 54.58 52.43 1k23 n ASN 130 Cb 0.13 -0.22 0.02 0.00 -0.61 0.00 0.00 39.78 39.10 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 1.06 -5.95 -3.77 6.41 5.15 -0.04 -4.99 115.26 113.13 1k23 n ASN 131 Ca 0.18 -0.24 -0.20 0.00 -0.60 0.00 0.00 54.58 53.71 1k23 n ASN 131 Cb 0.50 -2.61 -0.17 0.00 -0.53 0.00 0.00 39.78 36.96 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 -2.19 0.24 0.33 3.44 1.01 -0.76 -5.02 120.40 117.44 1k23 s VAL 132 Ca 0.23 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 1k23 s VAL 132 Cb -0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 36.38 35.86 1k23 s VAL 132 CO 0.85 0.21 1.35 -0.75 0.00 0.00 0.00 175.10 176.76 1k23 s LYS 133 N 1.67 4.30 -0.30 2.72 2.20 -1.26 -4.62 119.74 124.46 1k23 s LYS 133 Ca -0.00 2.29 -0.18 0.00 -0.36 0.00 0.00 55.97 57.71 1k23 s LYS 133 Cb -0.13 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 1k23 s LYS 133 CO -0.03 -0.27 0.54 0.42 -0.36 0.00 0.00 175.35 175.65 1k23 s ILE 134 N -1.02 5.02 0.25 5.43 1.01 -1.26 -5.04 121.20 125.58 1k23 s ILE 134 Ca 0.51 0.70 -0.31 0.00 0.00 0.00 0.00 60.65 61.55 1k23 s ILE 134 Cb -0.41 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.04 1k23 s ILE 134 CO 0.54 -0.06 1.57 -1.61 0.00 0.00 0.00 174.94 175.38 1k23 s GLU 135 N 2.41 4.17 0.26 2.79 2.02 -1.26 -4.81 118.70 124.28 1k23 s GLU 135 Ca 0.21 2.48 -0.09 0.00 0.02 0.00 0.00 54.97 57.59 1k23 s GLU 135 Cb -0.15 -3.07 0.42 0.00 0.10 0.00 0.00 34.13 31.42 1k23 s GLU 135 CO 0.11 -0.59 1.59 -0.22 0.02 0.00 0.00 175.26 176.16 1k23 h LYS 136 N 5.53 0.01 -0.41 1.61 3.64 -1.97 -1.17 116.57 123.82 1k23 h LYS 136 Ca -0.45 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1k23 h LYS 136 Cb 1.21 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 1k23 h LYS 136 CO 0.84 0.01 -0.52 0.93 -2.27 0.00 0.00 179.45 178.44 1k23 h GLU 137 N 0.01 -0.37 -0.14 1.90 4.39 -1.91 -2.84 114.58 115.63 1k23 h GLU 137 Ca 0.43 0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.98 1k23 h GLU 137 Cb 0.70 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1k23 h GLU 137 CO -0.88 -0.24 -0.66 -0.84 -1.16 0.00 0.00 179.01 175.23 1k23 h ILE 138 N -0.38 1.34 -1.04 3.13 3.07 -1.66 -3.05 117.51 118.91 1k23 h ILE 138 Ca 0.10 -1.97 0.27 0.00 1.55 0.00 0.00 64.86 64.81 1k23 h ILE 138 Cb 0.60 1.94 -0.11 0.00 -0.27 0.00 0.00 36.82 38.98 1k23 h ILE 138 CO -0.59 0.61 0.65 0.00 -1.05 0.00 0.00 178.15 177.76 1k23 h ALA 139 N 0.88 2.08 -0.58 0.16 0.00 -1.03 0.40 119.26 121.18 1k23 h ALA 139 Ca -0.02 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1k23 h ALA 139 Cb 1.24 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1k23 h ALA 139 CO 0.12 -0.54 0.21 0.78 0.00 0.00 0.00 179.25 179.82 1k23 h GLY 140 N 0.44 0.95 -1.29 0.00 0.00 -1.40 0.10 103.07 101.88 1k23 h GLY 140 Ca 0.63 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1k23 h GLY 140 CO -0.39 0.50 0.00 1.04 0.00 0.00 0.00 176.54 177.70 1k23 n LEU 141 N -4.45 0.14 0.00 3.11 4.77 0.14 0.11 117.00 120.81 1k23 n LEU 141 Ca 0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1k23 n LEU 141 Cb 0.18 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1k23 n LEU 141 CO 0.39 0.03 0.00 -0.11 -1.33 0.00 0.00 177.39 176.37 1k23 n LEU 143 N 0.60 0.00 0.23 2.23 -0.00 0.36 -0.90 117.00 119.52 1k23 n LEU 143 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 1k23 n LEU 143 Cb 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.37 1k23 n LEU 143 CO 0.00 0.00 0.69 0.28 -0.00 0.00 0.00 177.39 178.36 1k23 h SER 144 N 0.00 -0.70 -0.59 1.96 0.02 -0.57 -1.20 113.55 112.47 1k23 h SER 144 Ca 0.00 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1k23 h SER 144 Cb 0.00 0.22 -0.09 0.00 0.14 0.00 0.00 62.40 62.67 1k23 h SER 144 CO 0.00 -0.42 0.11 0.00 -1.14 0.00 0.00 176.83 175.38 1k23 h ALA 145 N -0.09 0.67 0.25 3.77 0.00 -1.27 0.22 119.26 122.83 1k23 h ALA 145 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1k23 h ALA 145 Cb 0.55 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1k23 h ALA 145 CO 0.01 -0.32 -0.14 0.82 0.00 0.00 0.00 179.25 179.62 1k23 h ILE 146 N 0.23 0.71 -0.26 0.00 2.04 -1.78 0.27 117.51 118.72 1k23 h ILE 146 Ca 0.31 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.23 1k23 h ILE 146 Cb 0.46 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 1k23 h ILE 146 CO -0.41 0.00 -0.25 0.40 0.00 0.00 0.00 178.15 177.89 1k23 h ILE 147 N -0.37 0.37 -0.20 -0.67 1.08 -0.53 0.86 117.51 118.05 1k23 h ILE 147 Ca -0.03 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1k23 h ILE 147 Cb 0.30 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.35 1k23 h ILE 147 CO 0.04 0.00 -0.23 -1.28 -0.69 0.00 0.00 178.15 175.99 1k23 h SER 148 N -0.25 -0.74 0.28 1.72 0.87 -0.23 0.21 113.55 115.42 1k23 h SER 148 Ca 0.14 0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.71 1k23 h SER 148 Cb 0.47 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1k23 h SER 148 CO -0.41 -0.28 -0.48 0.44 -0.53 0.00 0.00 176.83 175.58 1k23 h ASP 149 N -0.26 0.25 -0.35 6.23 3.32 -0.56 -3.14 116.42 121.90 1k23 h ASP 149 Ca 0.12 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k23 h ASP 149 Cb 0.45 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1k23 h ASP 149 CO -0.35 0.69 0.00 -1.54 -1.72 0.00 0.00 179.24 176.33 1k23 n SER 150 N -3.97 2.64 -3.97 6.45 3.41 0.26 -4.87 113.62 113.57 1k23 n SER 150 Ca -0.02 -1.90 -0.27 0.00 -0.26 0.00 0.00 58.87 56.42 1k23 n SER 150 Cb 0.53 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.95 -2.08 -3.43 1.04 4.77 -0.00 -0.63 117.00 117.63 1k23 n LEU 151 Ca 0.18 -1.05 -0.18 0.00 -0.03 0.00 0.00 56.01 54.93 1k23 n LEU 151 Cb 0.46 -2.15 0.09 0.00 -2.33 0.00 0.00 43.42 39.49 1k23 n LEU 151 CO 0.14 0.45 0.13 -0.11 -1.33 0.00 0.00 177.39 176.67 1k23 n LEU 152 N -4.43 -3.95 0.00 2.23 7.94 -0.82 -2.45 117.00 115.53 1k23 n LEU 152 Ca -0.29 -0.61 0.00 0.00 -1.11 0.00 0.00 56.01 54.01 1k23 n LEU 152 Cb 0.68 -3.10 0.00 0.00 0.53 0.00 0.00 43.42 41.53 1k23 n LEU 152 CO 0.75 0.41 0.00 0.49 -1.11 0.00 0.00 177.39 177.94 1k23 n PHE 153 N -4.22 0.00 0.56 1.96 3.01 -0.13 -4.82 117.46 113.82 1k23 n PHE 153 Ca -0.25 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.32 1k23 n PHE 153 Cb 0.65 -1.27 0.05 0.00 -0.01 0.00 0.00 39.48 38.90 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 -0.70 0.30 -1.86 -1.08 4.76 -0.16 -4.91 118.16 114.51 1k23 n LYS 154 Ca 0.00 0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.07 1k23 n LYS 154 Cb 0.26 -1.61 0.03 0.00 -1.84 0.00 0.00 35.03 31.86 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 -4.01 5.53 0.58 4.39 0.15 0.20 -4.90 113.70 115.64 1k23 s SER 155 Ca 0.04 2.72 0.38 0.00 0.70 0.00 0.00 55.95 59.79 1k23 s SER 155 Cb 0.14 -2.63 1.81 0.00 -1.71 0.00 0.00 66.02 63.63 1k23 s SER 155 CO 0.79 -1.39 2.13 1.55 1.20 0.00 0.00 173.24 177.51 1k23 h PRO 156 N 1.72 0.00 0.00 5.44 0.13 -1.93 -2.24 132.00 135.13 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1k23 h PRO 156 CO 0.58 0.00 -0.95 0.25 -0.23 0.00 0.00 178.00 177.65 1k23 n THR 157 N -3.00 0.24 -1.64 1.56 -2.24 -1.26 -4.96 114.28 102.98 1k23 n THR 157 Ca -0.01 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.12 1k23 n THR 157 Cb 0.19 0.09 0.05 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.47 1.03 0.55 0.00 2.01 -1.26 -4.88 115.64 111.62 1k23 s THR 159 Ca 0.76 -2.03 0.24 0.00 0.31 0.00 0.00 61.69 60.97 1k23 s THR 159 Cb -0.42 -1.82 0.36 0.00 0.01 0.00 0.00 72.50 70.63 1k23 s THR 159 CO 0.47 -0.77 2.07 0.44 -0.69 0.00 0.00 174.62 176.14 1k23 h ASP 160 N 2.82 0.00 -0.05 3.53 3.32 -1.99 0.57 116.42 124.62 1k23 h ASP 160 Ca -0.36 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.45 1k23 h ASP 160 Cb 1.18 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.75 1k23 h ASP 160 CO 0.64 0.00 -0.88 1.56 -1.72 0.00 0.00 179.24 178.84 1k23 h GLN 161 N 0.00 0.73 -0.36 3.56 4.20 -1.98 -1.32 115.11 119.93 1k23 h GLN 161 Ca 0.14 -0.66 -0.02 0.00 0.06 0.00 0.00 58.65 58.16 1k23 h GLN 161 Cb 0.60 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1k23 h GLN 161 CO -0.00 1.26 0.16 -0.44 -0.67 0.00 0.00 178.83 179.14 1k23 h ASP 162 N 0.46 0.49 -0.43 1.46 3.32 -1.34 -0.70 116.42 119.69 1k23 h ASP 162 Ca -0.08 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.78 1k23 h ASP 162 Cb 1.52 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.92 1k23 h ASP 162 CO 0.18 0.50 0.09 0.58 -1.72 0.00 0.00 179.24 178.87 1k23 h VAL 163 N 0.45 1.24 -0.18 -1.35 2.07 -1.18 0.10 116.25 117.40 1k23 h VAL 163 Ca 0.12 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1k23 h VAL 163 Cb 0.15 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1k23 h VAL 163 CO -0.01 0.29 -0.29 0.00 0.02 0.00 0.00 177.57 177.58 1k23 h ALA 164 N 0.95 1.17 -0.28 1.67 0.00 -1.17 -1.66 119.26 119.95 1k23 h ALA 164 Ca 0.13 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1k23 h ALA 164 Cb 0.34 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k23 h ALA 164 CO 0.00 0.53 -0.32 0.00 0.00 0.00 0.00 179.25 179.47 1k23 h ALA 165 N 1.39 0.42 -0.37 0.00 0.00 -0.84 -2.35 119.26 117.51 1k23 h ALA 165 Ca 0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1k23 h ALA 165 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1k23 h ALA 165 CO 0.05 0.46 0.18 0.00 0.00 0.00 0.00 179.25 179.94 1k23 h ALA 166 N 0.69 0.47 -0.35 0.00 0.00 -0.60 -0.53 119.26 118.95 1k23 h ALA 166 Ca 0.04 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1k23 h ALA 166 Cb 0.90 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1k23 h ALA 166 CO 0.08 0.03 0.04 0.87 0.00 0.00 0.00 179.25 180.27 1k23 h LYS 167 N 0.45 0.15 -0.39 0.00 6.56 -1.26 0.16 116.57 122.25 1k23 h LYS 167 Ca 0.13 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.70 1k23 h LYS 167 Cb 0.12 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 1k23 h LYS 167 CO -0.02 0.10 0.20 1.49 -2.06 0.00 0.00 179.45 179.17 1k23 h GLU 168 N 0.15 0.55 -0.25 3.15 4.81 -1.20 -2.79 114.58 119.00 1k23 h GLU 168 Ca 0.17 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1k23 h GLU 168 Cb 0.20 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1k23 h GLU 168 CO -0.24 0.46 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.36 1k23 h LEU 169 N 0.49 0.49 -1.59 1.64 3.38 -0.69 -3.02 115.31 116.01 1k23 h LEU 169 Ca 0.14 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 57.86 1k23 h LEU 169 Cb 0.08 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1k23 h LEU 169 CO -0.02 0.75 0.47 0.00 0.09 0.00 0.00 178.44 179.73 1k23 h ALA 170 N 0.75 2.08 0.04 1.53 0.00 -0.64 0.47 119.26 123.49 1k23 h ALA 170 Ca 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k23 h ALA 170 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1k23 h ALA 170 CO 0.03 -0.26 -0.02 1.49 0.00 0.00 0.00 179.25 180.49 1k23 h GLU 171 N 0.42 -0.06 -0.63 0.00 4.81 -1.42 -0.17 114.58 117.54 1k23 h GLU 171 Ca 0.34 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 1k23 h GLU 171 Cb 0.74 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 1k23 h GLU 171 CO -0.10 0.39 0.32 0.82 -0.73 0.00 0.00 179.01 179.71 1k23 h ILE 172 N -0.53 0.91 0.00 2.32 2.04 -1.23 0.11 117.51 121.13 1k23 h ILE 172 Ca -0.01 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1k23 h ILE 172 Cb 0.48 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1k23 h ILE 172 CO 0.01 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1k23 n ALA 173 N -2.38 2.18 -3.36 1.87 0.00 0.08 -4.63 120.51 114.27 1k23 n ALA 173 Ca 0.08 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 1k23 n ALA 173 Cb 0.20 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.37 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 0.46 -0.95 3.43 0.00 0.00 0.38 -4.91 105.19 103.60 1k23 n GLY 174 Ca 0.12 0.46 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.41 0.00 -0.35 1.61 1.01 -0.14 -5.04 120.40 114.08 1k23 s VAL 175 Ca 0.35 -1.68 -0.09 0.00 0.00 0.00 0.00 61.98 60.57 1k23 s VAL 175 Cb -0.06 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1k23 s VAL 175 CO 0.76 0.00 0.15 -0.62 0.00 0.00 0.00 175.10 175.39 1k23 s ASP 176 N -3.18 5.51 0.00 3.32 3.68 -1.26 -4.45 116.67 120.28 1k23 s ASP 176 Ca 0.31 -1.05 0.00 0.00 2.13 0.00 0.00 52.55 53.94 1k23 s ASP 176 Cb 0.01 -1.94 0.00 0.00 -1.45 0.00 0.00 42.92 39.54 1k23 s ASP 176 CO 0.17 -0.35 0.52 0.00 0.13 0.00 0.00 175.17 175.64 1k23 n ALA 177 N 4.90 0.00 -0.09 3.66 0.00 -1.26 -0.62 120.51 127.10 1k23 n ALA 177 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.33 1k23 n ALA 177 Cb 0.45 0.26 0.32 0.00 0.00 0.00 0.00 19.45 20.48 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 0.72 0.77 0.00 9.09 -1.98 0.39 114.58 123.57 1k23 h GLU 178 Ca 0.00 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 59.30 1k23 h GLU 178 Cb 0.00 -0.15 0.01 0.00 -1.65 0.00 0.00 28.75 26.96 1k23 h GLU 178 CO 0.00 0.53 -0.37 1.49 0.05 0.00 0.00 179.01 180.71 1k23 h GLU 179 N 0.73 -1.00 -0.66 1.06 4.81 -1.62 -1.90 114.58 115.99 1k23 h GLU 179 Ca 0.19 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1k23 h GLU 179 Cb 0.02 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1k23 h GLU 179 CO -0.03 -0.67 0.40 -0.92 -0.73 0.00 0.00 179.01 177.06 1k23 h TYR 180 N -1.23 0.74 -0.24 0.92 3.20 -0.85 -2.94 116.97 116.58 1k23 h TYR 180 Ca -0.11 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.85 1k23 h TYR 180 Cb 0.80 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 1k23 h TYR 180 CO 0.01 0.40 -0.23 0.78 -1.64 0.00 0.00 178.16 177.48 1k23 h GLY 181 N 0.77 -0.15 0.46 1.82 0.00 -0.90 -2.40 103.07 102.67 1k23 h GLY 181 Ca 0.28 0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.96 1k23 h GLY 181 CO -0.13 -0.20 0.05 1.41 0.00 0.00 0.00 176.54 177.67 1k23 h LEU 182 N -0.24 -0.05 -0.57 3.11 3.38 -1.17 0.20 115.31 119.96 1k23 h LEU 182 Ca 0.14 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1k23 h LEU 182 Cb 0.45 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1k23 h LEU 182 CO -0.38 0.01 0.00 0.59 0.09 0.00 0.00 178.44 178.75 1k23 n ASN 183 N -5.13 0.00 0.00 -0.43 3.02 -0.90 -0.36 115.26 111.45 1k23 n ASN 183 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1k23 n ASN 183 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.06 0.00 -0.08 3.41 4.77 0.70 -1.17 117.00 124.69 1k23 n LEU 185 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1k23 n LEU 185 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1k23 n LEU 185 CO 0.00 0.00 0.98 0.11 -1.33 0.00 0.00 177.39 177.15 1k23 h LYS 186 N 0.00 0.35 0.00 3.23 1.57 -0.93 -0.73 116.57 120.07 1k23 h LYS 186 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1k23 h LYS 186 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1k23 h LYS 186 CO 0.00 0.23 0.07 0.00 -0.57 0.00 0.00 179.45 179.18 1k23 n ALA 187 N -2.19 0.92 -0.12 3.86 0.00 -0.32 -2.79 120.51 119.88 1k23 n ALA 187 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1k23 n ALA 187 Cb 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.22 -2.73 0.60 0.00 0.00 -0.28 -3.79 105.19 97.77 1k23 n GLY 188 Ca 0.00 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1k23 n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k23 n ALA 189 N -2.13 3.15 -3.37 4.61 0.00 -1.14 -4.40 120.51 117.23 1k23 n ALA 189 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 53.44 52.61 1k23 n ALA 189 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 1k23 n ALA 189 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k23 n ASP 190 N 0.31 -2.38 -0.15 0.00 2.03 -1.12 -4.76 116.55 110.49 1k23 n ASP 190 Ca 0.11 -0.32 0.28 0.00 0.52 0.00 0.00 54.79 55.39 1k23 n ASP 190 Cb 0.49 -2.05 0.71 0.00 -0.72 0.00 0.00 41.12 39.54 1k23 n ASP 190 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1k23 h LEU 191 N -0.60 0.00 -1.99 -2.67 3.38 -1.93 -2.55 115.31 108.94 1k23 h LEU 191 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1k23 h LEU 191 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1k23 h LEU 191 CO 0.46 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.45 1k23 n SER 192 N -3.92 0.30 0.00 -0.43 3.41 -1.26 -5.12 113.62 106.60 1k23 n SER 192 Ca 0.18 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1k23 n SER 192 Cb 1.02 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1k23 n SER 192 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k23 n LYS 193 N 0.95 0.00 -0.85 4.33 5.02 -0.97 -5.25 118.16 121.39 1k23 n LYS 193 Ca 0.00 -0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.01 1k23 n LYS 193 Cb 0.05 -0.04 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1k23 n LYS 193 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1k23 n ILE 216 N 0.00 0.00 -2.28 -0.18 5.41 -1.26 -5.07 119.36 115.97 1k23 n ILE 216 Ca 0.00 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.49 1k23 n ILE 216 Cb 0.33 -0.29 0.11 0.00 -0.71 0.00 0.00 39.64 39.08 1k23 n ILE 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k23 s ALA 217 N 4.91 3.13 -0.30 -1.39 0.00 -1.26 -4.74 121.76 122.12 1k23 s ALA 217 Ca 0.78 -1.31 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 1k23 s ALA 217 Cb -0.77 -2.41 0.15 0.00 0.00 0.00 0.00 23.12 20.09 1k23 s ALA 217 CO 0.31 -1.65 0.94 -1.14 0.00 0.00 0.00 175.76 174.21 1k23 s GLN 218 N -5.37 0.36 0.54 0.00 0.74 -1.26 -3.07 119.66 111.60 1k23 s GLN 218 Ca 0.66 0.81 0.07 0.00 0.05 0.00 0.00 55.36 56.95 1k23 s GLN 218 Cb -0.07 0.39 0.05 0.00 1.10 0.00 0.00 33.01 34.48 1k23 s GLN 218 CO 0.47 -0.11 0.50 0.08 -0.55 0.00 0.00 175.29 175.68 1k23 s VAL 219 N 2.20 1.87 -0.17 1.34 1.01 -1.26 -4.94 120.40 120.44 1k23 s VAL 219 Ca -0.05 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.53 1k23 s VAL 219 Cb -0.06 -2.22 0.08 0.00 0.00 0.00 0.00 36.38 34.19 1k23 s VAL 219 CO -0.17 0.00 0.30 0.20 0.00 0.00 0.00 175.10 175.43 1k23 s ASN 220 N -4.37 0.41 0.09 3.32 0.01 -1.26 -3.45 114.94 109.69 1k23 s ASN 220 Ca 0.42 0.46 0.01 0.00 -0.71 0.00 0.00 52.86 53.04 1k23 s ASN 220 Cb -0.03 0.82 -0.04 0.00 0.41 0.00 0.00 41.25 42.41 1k23 s ASN 220 CO 0.26 -0.26 -0.04 0.28 -1.51 0.00 0.00 177.10 175.83 1k23 s THR 221 N 2.46 0.50 0.00 1.60 -1.32 -0.23 -4.94 115.64 113.71 1k23 s THR 221 Ca 0.04 -1.89 -0.16 0.00 -1.21 0.00 0.00 61.69 58.47 1k23 s THR 221 Cb -0.13 -1.67 -0.34 0.00 -1.51 0.00 0.00 72.50 68.84 1k23 s THR 221 CO -0.11 -0.87 0.91 1.62 -2.21 0.00 0.00 174.62 173.96 1k23 h VAL 222 N 3.01 1.23 -3.24 5.08 3.04 -1.92 -0.81 116.25 122.64 1k23 h VAL 222 Ca -0.35 -2.64 -0.56 0.00 -1.01 0.00 0.00 66.70 62.14 1k23 h VAL 222 Cb 1.16 3.00 -0.37 0.00 -2.01 0.00 0.00 31.29 33.07 1k23 h VAL 222 CO 0.65 0.81 -0.81 -0.62 -1.01 0.00 0.00 177.57 176.59 1k23 s ASP 223 N -7.46 2.62 0.45 3.17 2.15 -1.26 -4.62 116.67 111.72 1k23 s ASP 223 Ca -0.11 -0.52 0.22 0.00 0.43 0.00 0.00 52.55 52.57 1k23 s ASP 223 Cb 0.04 -0.97 1.04 0.00 -0.30 0.00 0.00 42.92 42.73 1k23 s ASP 223 CO 0.91 -0.13 1.90 0.40 -0.17 0.00 0.00 175.17 178.08 1k23 h ILE 224 N 6.24 0.74 0.51 4.11 2.04 -1.94 -2.82 117.51 126.40 1k23 h ILE 224 Ca -0.29 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 1k23 h ILE 224 Cb 1.12 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1k23 h ILE 224 CO 0.44 0.24 -0.51 -0.08 0.00 0.00 0.00 178.15 178.23 1k23 h GLU 225 N 0.00 -0.98 -1.53 2.37 4.57 -2.00 0.10 114.58 117.10 1k23 h GLU 225 Ca -0.00 0.07 0.44 0.00 -1.18 0.00 0.00 59.36 58.69 1k23 h GLU 225 Cb 0.61 0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 29.36 1k23 h GLU 225 CO 0.03 -0.66 1.17 -0.25 -1.18 0.00 0.00 179.01 178.12 1k23 n ASP 226 N -5.55 0.00 0.00 1.04 8.00 -1.07 -5.25 116.55 113.73 1k23 n ASP 226 Ca -0.12 0.80 0.00 0.00 0.71 0.00 0.00 54.79 56.18 1k23 n ASP 226 Cb 0.47 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1k23 n ASP 226 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k23 n VAL 227 N -3.49 0.00 0.00 2.53 0.31 0.02 -4.97 118.33 112.73 1k23 n VAL 227 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1k23 n VAL 227 Cb 1.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.56 1k23 n VAL 227 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1k23 n LEU 252 N 0.00 -1.61 -3.11 7.52 7.94 -1.17 -5.07 117.00 121.50 1k23 n LEU 252 Ca 0.00 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.70 1k23 n LEU 252 Cb 0.00 0.86 -0.05 0.00 0.53 0.00 0.00 43.42 44.76 1k23 n LEU 252 CO 0.00 0.00 -0.18 1.33 -1.11 0.00 0.00 177.39 177.43 1k23 n VAL 253 N -0.08 -0.60 -1.12 1.96 0.24 -1.20 -4.85 118.33 112.68 1k23 n VAL 253 Ca 0.00 -3.26 -0.36 0.00 -2.04 0.00 0.00 64.34 58.68 1k23 n VAL 253 Cb 0.00 -1.06 -0.11 0.00 -1.47 0.00 0.00 33.84 31.20 1k23 n VAL 253 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1k23 n ILE 254 N 1.74 0.00 -3.42 1.34 -0.00 -1.26 -4.50 119.36 113.26 1k23 n ILE 254 Ca 0.20 0.00 -0.37 0.00 -0.00 0.00 0.00 62.75 62.57 1k23 n ILE 254 Cb 0.54 -0.39 -0.06 0.00 -0.00 0.00 0.00 39.64 39.73 1k23 n ILE 254 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1k23 s THR 255 N 6.39 5.19 -0.39 1.39 2.01 -1.22 -4.27 115.64 124.72 1k23 s THR 255 Ca 1.03 0.81 -0.16 0.00 0.31 0.00 0.00 61.69 63.68 1k23 s THR 255 Cb -1.04 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 67.74 1k23 s THR 255 CO 0.42 0.40 0.38 -0.62 -0.69 0.00 0.00 174.62 174.51 1k23 s ASP 256 N 0.18 6.16 0.64 3.53 2.15 -0.96 -1.06 116.67 127.31 1k23 s ASP 256 Ca 0.23 -0.60 0.40 0.00 0.43 0.00 0.00 52.55 53.00 1k23 s ASP 256 Cb -0.15 -2.20 2.18 0.00 -0.30 0.00 0.00 42.92 42.45 1k23 s ASP 256 CO 0.09 -0.47 2.30 0.16 -0.17 0.00 0.00 175.17 177.08 1k23 h ILE 257 N 5.65 0.13 0.00 4.11 3.07 -1.42 -2.09 117.51 126.96 1k23 h ILE 257 Ca -0.28 -0.08 -0.05 0.00 1.55 0.00 0.00 64.86 66.01 1k23 h ILE 257 Cb 1.12 1.07 -0.01 0.00 -0.27 0.00 0.00 36.82 38.73 1k23 h ILE 257 CO 0.75 0.01 -0.50 -0.07 -1.05 0.00 0.00 178.15 177.28 1k23 h LEU 258 N 0.00 0.00 -0.88 0.16 3.38 -1.82 -3.39 115.31 112.76 1k23 h LEU 258 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1k23 h LEU 258 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1k23 h LEU 258 CO 0.00 0.86 0.00 -0.62 0.09 0.00 0.00 178.44 178.77 1k23 n GLU 259 N -4.62 1.58 -3.91 1.13 -0.58 -1.24 -4.89 120.64 108.11 1k23 n GLU 259 Ca -0.11 -0.87 -0.26 0.00 -0.42 0.00 0.00 57.16 55.50 1k23 n GLU 259 Cb 0.31 -1.39 -0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 0.08 -1.51 -3.75 1.62 3.02 -0.79 -4.99 115.26 108.94 1k23 n ASN 260 Ca 0.16 -0.93 -0.23 0.00 -0.03 0.00 0.00 54.58 53.56 1k23 n ASN 260 Cb 0.28 -3.40 -0.17 0.00 -0.61 0.00 0.00 39.78 35.88 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 -4.09 1.70 0.00 6.41 1.01 -1.23 -4.68 116.67 115.78 1k23 s ASP 261 Ca 0.18 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.28 1k23 s ASP 261 Cb -0.10 -0.42 0.00 0.00 1.01 0.00 0.00 42.92 43.42 1k23 s ASP 261 CO 0.86 -0.22 0.00 -1.20 0.21 0.00 0.00 175.17 174.83 1k23 n SER 262 N 5.16 0.00 0.00 0.27 7.64 -1.26 -2.28 113.62 123.15 1k23 n SER 262 Ca -0.07 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1k23 n SER 262 Cb 0.50 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1k23 n SER 262 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1k23 n VAL 293 N -1.09 0.00 -3.52 0.44 0.31 -1.26 -4.86 118.33 108.35 1k23 n VAL 293 Ca 0.00 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 64.01 1k23 n VAL 293 Cb 0.00 0.51 -0.14 0.00 -0.91 0.00 0.00 33.84 33.30 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 -1.84 3.36 0.63 4.52 0.15 -1.26 -4.98 113.70 114.28 1k23 s SER 294 Ca 0.00 -1.52 0.28 0.00 0.70 0.00 0.00 55.95 55.41 1k23 s SER 294 Cb 0.00 -0.35 1.48 0.00 -1.71 0.00 0.00 66.02 65.44 1k23 s SER 294 CO 0.00 -0.40 1.86 0.08 1.20 0.00 0.00 173.24 175.97 1k23 h ARG 295 N 8.04 0.00 0.10 5.44 -0.00 -1.93 0.62 114.38 126.65 1k23 h ARG 295 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.85 1k23 h ARG 295 Cb 1.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.97 1k23 h ARG 295 CO 0.39 0.00 -0.07 0.87 -0.00 0.00 0.00 179.97 181.16 1k23 h LYS 296 N 0.00 -0.15 0.00 0.08 1.79 -1.94 1.47 116.57 117.81 1k23 h LYS 296 Ca 0.10 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.47 1k23 h LYS 296 Cb 0.98 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 1k23 h LYS 296 CO -0.00 -0.10 -1.02 0.87 -1.08 0.00 0.00 179.45 178.12 1k23 h LYS 297 N -0.16 0.00 0.00 3.15 1.57 -1.94 -3.39 116.57 115.81 1k23 h LYS 297 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1k23 h LYS 297 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1k23 h LYS 297 CO 0.01 0.28 0.00 1.04 -0.57 0.00 0.00 179.45 180.21 1k23 n GLN 298 N -2.96 0.00 -0.35 3.15 6.02 0.18 -4.68 117.38 118.75 1k23 n GLN 298 Ca -0.04 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.03 1k23 n GLN 298 Cb 0.74 -0.18 0.24 0.00 1.02 0.00 0.00 30.24 32.07 1k23 n GLN 298 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1k23 h VAL 299 N 0.00 0.87 0.01 5.09 2.07 -1.51 -2.71 116.25 120.08 1k23 h VAL 299 Ca 0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1k23 h VAL 299 Cb 0.00 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.65 1k23 h VAL 299 CO 0.00 0.17 -0.00 0.58 0.02 0.00 0.00 177.57 178.33 1k23 h VAL 300 N 0.91 1.53 -0.48 2.57 2.07 0.18 -2.93 116.25 120.11 1k23 h VAL 300 Ca 0.50 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 1k23 h VAL 300 Cb 0.55 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 1k23 h VAL 300 CO -0.29 0.50 0.13 1.55 0.02 0.00 0.00 177.57 179.48 1k23 h PRO 301 N -0.94 0.71 -0.01 1.57 0.13 -1.72 -0.97 132.00 130.77 1k23 h PRO 301 Ca -0.00 -0.13 -0.14 0.00 -0.87 0.00 0.00 66.00 64.86 1k23 h PRO 301 Cb 0.83 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1k23 h PRO 301 CO 0.00 0.64 -0.65 -0.24 -0.23 0.00 0.00 178.00 177.53 1k23 h VAL 302 N 0.70 1.46 0.00 1.56 3.04 -1.64 -2.73 116.25 118.63 1k23 h VAL 302 Ca 0.16 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 63.65 1k23 h VAL 302 Cb 0.24 2.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1k23 h VAL 302 CO -0.00 0.63 -0.06 -0.11 -1.01 0.00 0.00 177.57 177.02 1k23 n LEU 303 N -3.78 0.63 0.04 3.16 0.00 -0.95 -3.51 117.00 112.59 1k23 n LEU 303 Ca -0.01 0.52 -0.02 0.00 0.00 0.00 0.00 56.01 56.50 1k23 n LEU 303 Cb 0.64 -0.35 -0.01 0.00 0.00 0.00 0.00 43.42 43.71 1k23 n LEU 303 CO 0.43 -0.13 0.12 0.74 0.00 0.00 0.00 177.39 178.55 1k23 h THR 304 N 0.00 0.00 -0.42 1.96 2.02 -0.86 -3.29 112.91 112.32 1k23 h THR 304 Ca 0.00 -0.33 -0.28 0.00 0.77 0.00 0.00 66.41 66.57 1k23 h THR 304 Cb 0.68 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.98 1k23 h THR 304 CO 0.00 0.00 0.35 -0.90 0.37 0.00 0.00 175.52 175.34 1k23 n ASP 305 N -3.30 6.30 0.00 4.18 5.68 -1.22 -5.12 116.55 123.06 1k23 n ASP 305 Ca -0.02 -2.97 0.00 0.00 -0.50 0.00 0.00 54.79 51.31 1k23 n ASP 305 Cb 0.06 -1.08 0.00 0.00 -1.14 0.00 0.00 41.12 38.96 1k23 n ASP 305 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87