#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 -4.38 119.74 126.33 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 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1k23 s LYS 3 CO 0.00 0.55 -0.26 0.42 -0.36 0.00 0.00 175.35 175.71 1k23 s ILE 4 N -1.18 2.12 -0.18 5.43 1.01 -0.04 -4.49 121.20 123.88 1k23 s ILE 4 Ca 0.37 -1.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.34 1k23 s ILE 4 Cb -0.23 -1.88 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 1k23 s ILE 4 CO 0.27 0.09 -0.12 -0.76 0.00 0.00 0.00 174.94 174.42 1k23 s LEU 5 N -1.93 2.61 -0.16 2.97 1.02 -1.20 -2.19 118.68 119.79 1k23 s LEU 5 Ca 0.12 -0.44 -0.03 0.00 0.02 0.00 0.00 54.13 53.80 1k23 s LEU 5 Cb -0.10 -1.62 -0.02 0.00 0.02 0.00 0.00 46.19 44.47 1k23 s LEU 5 CO 0.05 0.05 -0.06 -0.63 0.02 0.00 0.00 176.35 175.78 1k23 s ILE 6 N 1.03 3.60 0.12 -0.59 1.01 -0.79 -1.09 121.20 124.50 1k23 s ILE 6 Ca -0.01 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 59.95 1k23 s ILE 6 Cb -0.15 -2.57 0.07 0.00 0.01 0.00 0.00 42.46 39.82 1k23 s ILE 6 CO -0.02 0.49 0.61 0.72 0.00 0.00 0.00 174.94 176.73 1k23 s PHE 7 N 0.55 -0.55 0.00 3.97 -0.12 -0.93 -0.27 117.98 120.63 1k23 s PHE 7 Ca -0.04 0.45 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 1k23 s PHE 7 Cb -0.15 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1k23 s PHE 7 CO 0.03 -0.80 0.00 0.41 -0.05 0.00 0.00 175.22 174.80 1k23 n GLY 8 N -0.15 1.49 3.89 1.99 0.00 -1.25 -2.04 105.19 109.13 1k23 n GLY 8 Ca -0.17 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 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 1.75 1.50 0.79 1.61 -3.43 -1.26 -4.77 115.29 111.47 1k23 s HIS 9 Ca 0.00 0.34 -0.12 0.00 -0.80 0.00 0.00 55.06 54.49 1k23 s HIS 9 Cb 0.00 -4.04 0.06 0.00 -1.43 0.00 0.00 32.58 27.17 1k23 s HIS 9 CO 0.00 -2.77 1.10 -0.65 -2.00 0.00 0.00 174.74 170.42 1k23 s GLN 10 N -5.83 2.19 -1.19 -0.38 -0.21 -0.29 -3.86 119.66 110.08 1k23 s GLN 10 Ca 0.73 0.57 -0.12 0.00 0.02 0.00 0.00 55.36 56.56 1k23 s GLN 10 Cb -0.05 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 32.01 1k23 s GLN 10 CO 0.53 -1.53 0.75 0.09 -2.12 0.00 0.00 175.29 173.01 1k23 n ASN 11 N -3.36 -4.08 -4.67 5.90 3.02 -1.26 -4.77 115.26 106.04 1k23 n ASN 11 Ca 0.07 -0.94 -0.55 0.00 -0.03 0.00 0.00 54.58 53.13 1k23 n ASN 11 Cb 0.57 -3.71 -0.07 0.00 -0.61 0.00 0.00 39.78 35.96 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 -4.11 1.24 -2.76 3.52 -0.04 -1.25 -5.03 135.00 126.58 1k23 n PRO 12 Ca -0.16 0.45 -0.21 0.00 -0.04 0.00 0.00 63.50 63.55 1k23 n PRO 12 Cb 0.62 -2.14 0.05 0.00 -0.04 0.00 0.00 33.50 31.99 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 2.62 5.14 0.56 3.54 3.84 -1.26 -4.54 116.67 126.57 1k23 s ASP 13 Ca 0.93 -0.28 0.27 0.00 -0.00 0.00 0.00 52.55 53.47 1k23 s ASP 13 Cb -1.00 -0.50 1.64 0.00 -1.38 0.00 0.00 42.92 41.68 1k23 s ASP 13 CO 0.59 -1.24 2.19 0.74 -0.00 0.00 0.00 175.17 177.45 1k23 h THR 14 N 0.08 0.62 0.13 2.11 2.02 -1.96 -2.17 112.91 113.75 1k23 h THR 14 Ca -0.39 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1k23 h THR 14 Cb 1.29 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1k23 h THR 14 CO 0.47 0.04 -0.06 -0.78 0.37 0.00 0.00 175.52 175.55 1k23 h ASP 15 N 0.00 -0.15 -0.82 4.18 -0.00 -1.93 -0.21 116.42 117.49 1k23 h ASP 15 Ca -0.00 -0.37 0.14 0.00 -0.00 0.00 0.00 57.03 56.80 1k23 h ASP 15 Cb 0.09 0.04 -0.06 0.00 -0.00 0.00 0.00 39.33 39.40 1k23 h ASP 15 CO 0.00 0.34 0.54 0.74 -0.00 0.00 0.00 179.24 180.86 1k23 h THR 16 N -0.69 0.82 0.00 2.25 2.02 -1.79 0.22 112.91 115.74 1k23 h THR 16 Ca -0.02 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1k23 h THR 16 Cb 0.51 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1k23 h THR 16 CO 0.03 0.10 -0.13 0.40 0.37 0.00 0.00 175.52 176.29 1k23 h ILE 17 N 0.55 0.58 -0.31 3.11 1.08 -1.39 -3.26 117.51 117.87 1k23 h ILE 17 Ca 0.40 -1.46 -0.00 0.00 -0.39 0.00 0.00 64.86 63.41 1k23 h ILE 17 Cb 0.77 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 1k23 h ILE 17 CO -0.16 0.20 0.17 0.00 -0.69 0.00 0.00 178.15 177.67 1k23 h SER 19 N 0.38 0.89 -0.15 0.00 0.02 -0.76 0.29 113.55 114.22 1k23 h SER 19 Ca 0.11 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1k23 h SER 19 Cb 0.04 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1k23 h SER 19 CO -0.02 0.63 0.09 0.00 -1.14 0.00 0.00 176.83 176.38 1k23 h ALA 20 N 1.51 0.20 -0.43 3.77 0.00 -1.55 0.17 119.26 122.94 1k23 h ALA 20 Ca 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1k23 h ALA 20 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1k23 h ALA 20 CO -0.08 -0.27 0.19 0.82 0.00 0.00 0.00 179.25 179.91 1k23 h ILE 21 N 0.15 1.19 0.27 0.00 2.04 -0.95 -1.66 117.51 118.55 1k23 h ILE 21 Ca 0.05 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1k23 h ILE 21 Cb 0.06 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1k23 h ILE 21 CO -0.01 0.21 -0.16 0.00 0.00 0.00 0.00 178.15 178.19 1k23 h ALA 22 N 1.04 -0.40 -0.38 1.87 0.00 -0.13 -2.17 119.26 119.09 1k23 h ALA 22 Ca 0.15 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1k23 h ALA 22 Cb 0.14 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1k23 h ALA 22 CO -0.02 -0.73 -0.12 -0.92 0.00 0.00 0.00 179.25 177.47 1k23 h TYR 23 N -0.41 0.72 -0.80 0.00 3.20 -0.66 -1.94 116.97 117.08 1k23 h TYR 23 Ca -0.03 -0.12 0.06 0.00 3.14 0.00 0.00 58.73 61.77 1k23 h TYR 23 Cb 0.34 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 1k23 h TYR 23 CO -0.08 0.75 0.49 0.00 -1.64 0.00 0.00 178.16 177.68 1k23 h ALA 24 N 1.27 1.09 0.48 1.82 0.00 -1.14 0.26 119.26 123.04 1k23 h ALA 24 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1k23 h ALA 24 Cb 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1k23 h ALA 24 CO 0.03 0.23 -0.23 0.22 0.00 0.00 0.00 179.25 179.50 1k23 h ASP 25 N 0.90 -0.55 -0.56 0.00 -0.00 -0.84 0.29 116.42 115.66 1k23 h ASP 25 Ca 0.35 -0.01 0.11 0.00 -0.00 0.00 0.00 57.03 57.48 1k23 h ASP 25 Cb 0.15 0.14 -0.09 0.00 -0.00 0.00 0.00 39.33 39.54 1k23 h ASP 25 CO -0.17 -0.35 0.06 0.25 -0.00 0.00 0.00 179.24 179.03 1k23 h LEU 26 N -0.70 -0.12 0.04 2.28 6.46 -0.67 0.12 115.31 122.72 1k23 h LEU 26 Ca -0.07 0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1k23 h LEU 26 Cb 0.52 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 1k23 h LEU 26 CO 0.11 -0.04 -0.09 0.11 -0.62 0.00 0.00 178.44 177.91 1k23 h LYS 27 N 0.18 -0.17 -0.62 1.25 1.79 -0.31 -2.17 116.57 116.52 1k23 h LYS 27 Ca 0.29 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1k23 h LYS 27 Cb 0.44 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1k23 h LYS 27 CO -0.42 -0.12 0.41 -0.91 -1.08 0.00 0.00 179.45 177.33 1k23 h ASN 28 N -0.18 0.71 0.08 0.86 2.35 0.04 -0.68 115.58 118.76 1k23 h ASN 28 Ca 0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1k23 h ASN 28 Cb 0.21 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1k23 h ASN 28 CO -0.07 0.52 0.00 0.11 -1.65 0.00 0.00 177.43 176.34 1k23 h LYS 29 N 0.84 0.00 -0.66 0.81 1.79 -0.47 0.13 116.57 119.01 1k23 h LYS 29 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1k23 h LYS 29 Cb -0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 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 -2.72 4.20 0.00 2.94 4.77 -0.29 -4.94 117.00 120.96 1k23 n LEU 30 Ca -0.02 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 1k23 n LEU 30 Cb 0.07 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1k23 n LEU 30 CO 0.16 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1k23 n GLY 31 N 1.23 0.76 3.91 -0.72 0.00 0.45 -5.07 105.19 105.75 1k23 n GLY 31 Ca 0.23 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 1.66 -0.70 1.61 0.40 -1.04 -5.01 117.98 112.90 1k23 s PHE 32 Ca 0.00 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.54 1k23 s PHE 32 Cb 0.00 -1.95 0.17 0.00 0.51 0.00 0.00 43.02 41.75 1k23 s PHE 32 CO 0.00 -0.51 0.50 1.21 0.70 0.00 0.00 175.22 177.12 1k23 s ASN 33 N -4.30 5.03 0.09 1.36 2.47 -1.26 -4.34 114.94 113.99 1k23 s ASN 33 Ca 0.37 -3.52 0.10 0.00 0.42 0.00 0.00 52.86 50.23 1k23 s ASN 33 Cb -0.02 -1.73 -0.04 0.00 -1.45 0.00 0.00 41.25 38.01 1k23 s ASN 33 CO 0.23 -0.17 -0.24 0.00 -3.72 0.00 0.00 177.10 173.20 1k23 s ALA 34 N -1.01 2.45 -0.06 1.71 0.00 -1.26 -0.86 121.76 122.74 1k23 s ALA 34 Ca 0.23 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1k23 s ALA 34 Cb -0.12 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1k23 s ALA 34 CO -0.10 0.56 -0.07 -2.00 0.00 0.00 0.00 175.76 174.14 1k23 s GLU 35 N -1.80 1.15 0.25 0.00 2.12 -0.93 -4.88 118.70 114.60 1k23 s GLU 35 Ca 0.14 -0.20 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 1k23 s GLU 35 Cb -0.10 -1.09 -0.09 0.00 0.26 0.00 0.00 34.13 33.11 1k23 s GLU 35 CO 0.06 -0.08 1.24 -2.14 -0.54 0.00 0.00 175.26 173.80 1k23 s PRO 36 N 0.98 4.46 0.01 4.30 0.02 -1.26 -1.89 135.00 141.62 1k23 s PRO 36 Ca -0.10 2.00 -0.03 0.00 0.02 0.00 0.00 61.00 62.90 1k23 s PRO 36 Cb -0.14 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 1k23 s PRO 36 CO 0.00 -0.10 0.05 0.08 -0.33 0.00 0.00 177.00 176.70 1k23 s VAL 37 N -0.50 0.08 0.25 3.83 1.01 0.63 -3.88 120.40 121.82 1k23 s VAL 37 Ca 0.51 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.91 1k23 s VAL 37 Cb -0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1k23 s VAL 37 CO 0.42 -0.38 -0.06 0.00 0.00 0.00 0.00 175.10 175.08 1k23 s ARG 38 N -1.20 2.13 0.00 2.72 1.70 -0.64 -4.16 118.95 119.50 1k23 s ARG 38 Ca -0.13 -1.44 0.08 0.00 -0.47 0.00 0.00 55.73 53.77 1k23 s ARG 38 Cb -0.08 -2.09 0.21 0.00 -0.57 0.00 0.00 34.95 32.42 1k23 s ARG 38 CO 0.00 0.38 1.13 1.28 -1.08 0.00 0.00 175.30 177.01 1k23 n LEU 39 N -0.61 2.56 0.00 -1.89 4.77 -1.26 -1.87 117.00 118.70 1k23 n LEU 39 Ca -0.07 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.07 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 0.39 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1k23 n GLY 40 N 0.32 1.90 3.76 -0.72 0.00 -1.26 -4.76 105.19 104.43 1k23 n GLY 40 Ca 0.08 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.18 4.68 -0.23 1.61 1.11 -1.26 -4.91 119.66 119.48 1k23 s GLN 41 Ca 0.00 1.64 -0.26 0.00 0.01 0.00 0.00 55.36 56.75 1k23 s GLN 41 Cb 0.00 -3.15 -0.00 0.00 -1.01 0.00 0.00 33.01 28.85 1k23 s GLN 41 CO 0.00 0.30 0.90 0.08 0.01 0.00 0.00 175.29 176.57 1k23 s VAL 42 N -1.24 4.79 0.79 1.09 1.01 -1.26 -4.52 120.40 121.06 1k23 s VAL 42 Ca 0.45 1.72 -0.12 0.00 0.00 0.00 0.00 61.98 64.03 1k23 s VAL 42 Cb -0.28 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 31.98 1k23 s VAL 42 CO 0.36 -0.09 1.12 0.54 0.00 0.00 0.00 175.10 177.02 1k23 s ASN 43 N 1.28 4.67 0.29 3.32 2.20 -1.26 -4.77 114.94 120.66 1k23 s ASN 43 Ca 0.38 1.10 0.03 0.00 -0.94 0.00 0.00 52.86 53.44 1k23 s ASN 43 Cb -0.15 -1.79 0.69 0.00 -2.00 0.00 0.00 41.25 38.00 1k23 s ASN 43 CO 0.08 -1.83 1.73 1.23 -2.94 0.00 0.00 177.10 175.37 1k23 h GLY 44 N -1.00 1.58 0.84 0.45 0.00 -1.82 0.36 103.07 103.49 1k23 h GLY 44 Ca -0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1k23 h GLY 44 CO 0.62 -0.16 -0.24 -2.09 0.00 0.00 0.00 176.54 174.67 1k23 h GLU 45 N 0.55 -0.55 -0.12 4.80 4.81 -1.77 -0.96 114.58 121.34 1k23 h GLU 45 Ca 0.55 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.85 1k23 h GLU 45 Cb 0.94 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1k23 h GLU 45 CO -0.45 -0.36 -0.14 1.15 -0.73 0.00 0.00 179.01 178.47 1k23 h THR 46 N -0.57 0.61 -0.36 0.32 2.02 -1.71 -2.93 112.91 110.30 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 0.49 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 1k23 h THR 46 CO 0.01 0.00 -0.41 1.56 0.37 0.00 0.00 175.52 177.05 1k23 h GLN 47 N -0.18 -0.25 -0.97 6.66 1.08 -0.59 -0.88 115.11 119.98 1k23 h GLN 47 Ca 0.09 0.02 0.32 0.00 -1.45 0.00 0.00 58.65 57.63 1k23 h GLN 47 Cb 0.31 0.06 -0.16 0.00 -0.05 0.00 0.00 27.48 27.63 1k23 h GLN 47 CO -0.23 -0.16 0.37 -0.92 -0.95 0.00 0.00 178.83 176.94 1k23 h TYR 48 N -0.26 0.57 -0.27 2.96 3.20 -1.00 0.34 116.97 122.52 1k23 h TYR 48 Ca 0.06 0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.81 1k23 h TYR 48 Cb 0.42 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1k23 h TYR 48 CO -0.73 -0.34 -0.51 0.00 -1.64 0.00 0.00 178.16 174.94 1k23 h ALA 49 N 1.91 0.42 -0.32 1.82 0.00 -1.13 0.60 119.26 122.56 1k23 h ALA 49 Ca 0.70 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1k23 h ALA 49 Cb 1.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1k23 h ALA 49 CO -0.74 0.61 0.14 -0.07 0.00 0.00 0.00 179.25 179.20 1k23 h LEU 50 N 0.58 0.44 0.02 0.00 3.38 0.69 -1.89 115.31 118.53 1k23 h LEU 50 Ca 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1k23 h LEU 50 Cb 1.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1k23 h LEU 50 CO 0.11 0.47 -0.01 0.44 0.09 0.00 0.00 178.44 179.54 1k23 h ASP 51 N 0.38 -0.02 -1.00 -0.43 3.32 -0.72 0.21 116.42 118.15 1k23 h ASP 51 Ca 0.11 -0.36 0.17 0.00 0.02 0.00 0.00 57.03 56.96 1k23 h ASP 51 Cb 0.16 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 1k23 h ASP 51 CO -0.01 0.36 0.62 0.22 -1.72 0.00 0.00 179.24 178.70 1k23 h TYR 52 N -0.40 1.08 -0.70 4.55 3.20 -0.82 -0.41 116.97 123.47 1k23 h TYR 52 Ca -0.00 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.66 1k23 h TYR 52 Cb 0.38 -0.33 -0.14 0.00 1.54 0.00 0.00 36.73 38.18 1k23 h TYR 52 CO 0.05 0.31 0.27 1.19 -1.64 0.00 0.00 178.16 178.34 1k23 n PHE 53 N -4.71 2.29 -3.92 -3.82 3.01 -0.71 -4.97 117.46 104.63 1k23 n PHE 53 Ca 0.22 -1.31 -0.38 0.00 1.01 0.00 0.00 57.45 56.99 1k23 n PHE 53 Cb 0.51 -0.68 0.02 0.00 -0.01 0.00 0.00 39.48 39.32 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 -0.43 -0.75 -4.77 -1.08 5.02 -0.17 -4.91 118.16 111.08 1k23 n LYS 54 Ca 0.41 0.35 -0.26 0.00 -2.02 0.00 0.00 58.31 56.80 1k23 n LYS 54 Cb 1.36 -2.76 -0.16 0.00 -0.02 0.00 0.00 35.03 33.45 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 -6.45 1.76 0.26 1.97 -1.52 0.67 -5.03 119.66 111.33 1k23 s GLN 55 Ca 0.35 -0.56 -0.30 0.00 -1.95 0.00 0.00 55.36 52.90 1k23 s GLN 55 Cb -0.18 -1.50 -0.10 0.00 -0.22 0.00 0.00 33.01 31.01 1k23 s GLN 55 CO 0.93 0.19 1.30 -2.00 -0.25 0.00 0.00 175.29 175.46 1k23 s GLU 56 N 0.19 4.39 -0.06 2.91 2.56 -1.26 -4.54 118.70 122.88 1k23 s GLU 56 Ca -0.07 2.12 -0.30 0.00 0.00 0.00 0.00 54.97 56.73 1k23 s GLU 56 Cb -0.12 -3.14 -0.06 0.00 2.00 0.00 0.00 34.13 32.81 1k23 s GLU 56 CO 0.03 -0.20 1.70 0.45 -0.56 0.00 0.00 175.26 176.67 1k23 s SER 57 N -0.09 6.60 0.30 -1.70 0.15 -1.26 -4.92 113.70 112.78 1k23 s SER 57 Ca 0.53 2.24 -0.27 0.00 0.70 0.00 0.00 55.95 59.15 1k23 s SER 57 Cb -0.38 -2.53 -0.14 0.00 -1.71 0.00 0.00 66.02 61.26 1k23 s SER 57 CO 0.45 -0.98 0.89 -0.81 1.20 0.00 0.00 173.24 173.98 1k23 n PRO 58 N 7.24 1.08 -1.66 5.44 -0.04 -1.26 -4.84 135.00 140.96 1k23 n PRO 58 Ca 0.18 0.38 -0.46 0.00 -0.04 0.00 0.00 63.50 63.56 1k23 n PRO 58 Cb 0.43 -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 0.69 1.97 -2.57 0.54 0.63 -1.25 -4.34 116.66 112.34 1k23 n ARG 59 Ca 0.11 0.71 -0.37 0.00 -0.92 0.00 0.00 57.85 57.37 1k23 n ARG 59 Cb 0.33 -2.38 -0.04 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 0.34 4.25 -0.01 6.15 2.96 -1.26 -1.63 118.68 129.48 1k23 s LEU 60 Ca 0.72 2.05 -0.05 0.00 -0.22 0.00 0.00 54.13 56.63 1k23 s LEU 60 Cb -0.68 -4.05 0.00 0.00 0.50 0.00 0.00 46.19 41.96 1k23 s LEU 60 CO 0.47 -0.36 0.11 -0.69 -1.32 0.00 0.00 176.35 174.55 1k23 s VAL 61 N -1.55 0.06 -0.09 1.68 1.01 -0.78 -4.91 120.40 115.82 1k23 s VAL 61 Ca 0.54 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 62.12 1k23 s VAL 61 Cb -0.23 -0.32 -0.15 0.00 0.00 0.00 0.00 36.38 35.68 1k23 s VAL 61 CO 0.30 -0.28 0.09 -0.62 0.00 0.00 0.00 175.10 174.59 1k23 n GLU 62 N 1.98 1.80 -3.78 2.72 1.02 -1.26 -4.56 120.64 118.57 1k23 n GLU 62 Ca -0.20 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 56.82 1k23 n GLU 62 Cb 0.57 -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 -2.39 0.11 -0.02 2.62 -4.23 -1.26 -4.21 115.64 106.27 1k23 s THR 63 Ca -0.05 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1k23 s THR 63 Cb 0.04 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.72 1k23 s THR 63 CO 0.46 -0.49 0.00 0.00 -0.54 0.00 0.00 174.62 174.05 1k23 n ALA 64 N 0.16 1.96 -0.32 3.99 0.00 -1.26 -4.73 120.51 120.31 1k23 n ALA 64 Ca -0.17 -0.09 0.20 0.00 0.00 0.00 0.00 53.44 53.38 1k23 n ALA 64 Cb 0.61 0.25 0.41 0.00 0.00 0.00 0.00 19.45 20.72 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 0.06 1.71 0.00 0.00 0.00 -1.83 0.44 119.26 119.64 1k23 h ALA 65 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k23 h ALA 65 Cb 1.09 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1k23 h ALA 65 CO 0.00 -0.51 0.00 -2.95 0.00 0.00 0.00 179.25 175.79 1k23 h ASN 66 N 0.30 0.00 0.00 0.00 7.08 -1.96 -3.31 115.58 117.69 1k23 h ASN 66 Ca 0.67 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.67 1k23 h ASN 66 Cb 1.45 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.65 1k23 h ASN 66 CO -0.62 0.00 -1.83 -0.62 -2.08 0.00 0.00 177.43 172.29 1k23 n GLU 67 N -2.65 0.96 -4.29 4.14 1.02 0.14 -5.08 120.64 114.87 1k23 n GLU 67 Ca 0.01 0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 1k23 n GLU 67 Cb 0.25 -1.30 -0.08 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 -2.29 0.04 -0.03 2.62 -7.23 -0.40 -4.98 120.40 108.13 1k23 s VAL 68 Ca -0.15 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.10 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 0.39 0.00 0.13 0.59 -0.31 0.00 0.00 175.10 175.90 1k23 n ASN 69 N -1.41 3.04 -4.06 4.85 5.03 -1.26 -4.37 115.26 117.08 1k23 n ASN 69 Ca 0.06 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.33 1k23 n ASN 69 Cb 0.63 1.15 -0.14 0.00 -1.02 0.00 0.00 39.78 40.40 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 -3.33 0.55 0.24 7.41 0.00 -1.26 -1.33 107.32 109.60 1k23 s GLY 70 Ca -0.03 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.16 1k23 s GLY 70 CO 0.35 -0.52 -0.01 -1.34 0.00 0.00 0.00 173.10 171.58 1k23 s VAL 71 N -0.53 1.10 -0.11 1.40 -7.23 -0.23 -3.26 120.40 111.53 1k23 s VAL 71 Ca 0.01 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1k23 s VAL 71 Cb -0.05 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.55 1k23 s VAL 71 CO 0.00 -0.32 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.73 1k23 s ILE 72 N -3.38 1.27 -0.06 -0.62 1.01 -0.25 0.23 121.20 119.40 1k23 s ILE 72 Ca 0.29 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 1k23 s ILE 72 Cb 0.06 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1k23 s ILE 72 CO 0.09 0.40 0.39 -0.76 0.00 0.00 0.00 174.94 175.06 1k23 s LEU 73 N 1.37 4.38 0.05 2.97 1.43 -0.46 -2.19 118.68 126.23 1k23 s LEU 73 Ca -0.00 0.82 0.06 0.00 -1.03 0.00 0.00 54.13 53.98 1k23 s LEU 73 Cb -0.14 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 1k23 s LEU 73 CO -0.06 0.21 -0.17 0.68 0.23 0.00 0.00 176.35 177.24 1k23 s VAL 74 N -0.39 1.38 -1.12 -1.59 -7.23 -0.87 -0.88 120.40 109.70 1k23 s VAL 74 Ca 0.22 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 1k23 s VAL 74 Cb -0.15 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.55 1k23 s VAL 74 CO 0.10 0.03 0.00 -0.67 -0.31 0.00 0.00 175.10 174.26 1k23 n ASP 75 N 1.69 -5.33 -3.64 4.85 2.03 -0.11 -4.03 116.55 112.00 1k23 n ASP 75 Ca -0.18 0.26 0.01 0.00 0.52 0.00 0.00 54.79 55.40 1k23 n ASP 75 Cb 0.54 -3.76 -0.00 0.00 -0.72 0.00 0.00 41.12 37.18 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 -2.04 -0.03 0.00 -0.67 -3.43 -1.26 -4.70 115.29 103.15 1k23 s HIS 76 Ca 0.00 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.18 1k23 s HIS 76 Cb 0.00 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1k23 s HIS 76 CO 0.00 -0.30 0.00 0.27 -2.00 0.00 0.00 174.74 172.71 1k23 n ASN 77 N -0.57 0.00 -4.75 7.38 0.23 -1.26 -4.85 115.26 111.45 1k23 n ASN 77 Ca -0.07 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.57 1k23 n ASN 77 Cb 0.62 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.29 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 -0.23 4.39 0.15 -3.83 2.02 -1.25 -4.51 118.70 115.45 1k23 s GLU 78 Ca 0.00 2.10 -0.26 0.00 0.02 0.00 0.00 54.97 56.83 1k23 s GLU 78 Cb 0.00 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 31.08 1k23 s GLU 78 CO 0.00 -0.23 1.58 0.00 0.02 0.00 0.00 175.26 176.63 1k23 h ARG 79 N 4.85 -0.31 -1.03 1.61 3.08 -1.35 -1.72 114.38 119.52 1k23 h ARG 79 Ca -0.46 0.02 0.27 0.00 0.07 0.00 0.00 59.98 59.88 1k23 h ARG 79 Cb 1.22 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 31.26 1k23 h ARG 79 CO 0.74 -0.21 0.69 1.96 -1.07 0.00 0.00 179.97 182.08 1k23 h GLN 80 N -0.32 0.28 0.00 0.04 7.50 -1.92 0.37 115.11 121.06 1k23 h GLN 80 Ca 0.14 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.27 1k23 h GLN 80 Cb 0.58 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1k23 h GLN 80 CO -0.54 0.18 -0.13 1.04 -1.50 0.00 0.00 178.83 177.88 1k23 n GLN 81 N -4.50 0.23 -2.54 1.46 6.02 -0.67 -4.89 117.38 112.49 1k23 n GLN 81 Ca 0.24 0.16 -0.24 0.00 -0.01 0.00 0.00 57.00 57.14 1k23 n GLN 81 Cb 0.93 -1.74 0.13 0.00 1.02 0.00 0.00 30.24 30.58 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 -4.25 4.06 1.03 1.08 0.15 0.13 -1.14 113.70 114.76 1k23 s SER 82 Ca 0.10 -0.41 -0.16 0.00 0.70 0.00 0.00 55.95 56.18 1k23 s SER 82 Cb 0.13 0.16 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1k23 s SER 82 CO 0.62 -2.07 0.07 0.00 1.20 0.00 0.00 173.24 173.06 1k23 n ILE 83 N -2.99 0.00 0.09 6.45 3.06 -1.26 -4.80 119.36 119.91 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 -0.55 -0.08 0.00 0.54 0.00 0.00 39.64 40.16 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 -1.72 -0.23 -1.23 9.51 3.64 -1.93 -3.22 116.57 121.39 1k23 h LYS 84 Ca -0.48 0.02 -0.42 0.00 -1.27 0.00 0.00 60.65 58.50 1k23 h LYS 84 Cb 1.32 0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 33.00 1k23 h LYS 84 CO 0.35 0.10 0.53 -0.40 -2.27 0.00 0.00 179.45 177.76 1k23 n ASP 85 N -5.04 5.78 0.16 4.20 5.75 -1.26 -4.56 116.55 121.58 1k23 n ASP 85 Ca -0.09 -3.24 0.08 0.00 -0.01 0.00 0.00 54.79 51.53 1k23 n ASP 85 Cb 0.23 -0.93 0.58 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.89 1.01 0.00 2.12 6.09 -1.92 -0.64 117.51 125.05 1k23 h ILE 86 Ca 0.41 -0.06 -0.01 0.00 -1.37 0.00 0.00 64.86 63.83 1k23 h ILE 86 Cb 1.33 0.82 -0.00 0.00 0.47 0.00 0.00 36.82 39.44 1k23 h ILE 86 CO 0.95 0.03 -0.05 -0.08 -3.07 0.00 0.00 178.15 175.93 1k23 h GLU 87 N 0.17 0.00 -0.55 2.19 4.57 -1.89 -2.87 114.58 116.20 1k23 h GLU 87 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1k23 h GLU 87 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1k23 h GLU 87 CO -0.01 0.05 0.00 0.39 -1.18 0.00 0.00 179.01 178.26 1k23 n GLU 88 N -3.63 2.33 -4.30 1.92 1.02 -0.25 -4.93 120.64 112.80 1k23 n GLU 88 Ca -0.02 -1.94 -0.16 0.00 -0.02 0.00 0.00 57.16 55.02 1k23 n GLU 88 Cb 0.16 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.34 0.57 -0.25 2.62 -7.23 -1.09 -4.76 120.40 108.92 1k23 s VAL 89 Ca 0.36 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 1k23 s VAL 89 Cb 0.19 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1k23 s VAL 89 CO 0.24 -0.09 0.19 -1.58 -0.31 0.00 0.00 175.10 173.54 1k23 s GLN 90 N -4.01 4.03 -0.62 4.82 0.74 -0.44 -4.97 119.66 119.21 1k23 s GLN 90 Ca 0.35 -0.26 -0.27 0.00 0.05 0.00 0.00 55.36 55.23 1k23 s GLN 90 Cb 0.07 -3.59 0.01 0.00 1.10 0.00 0.00 33.01 30.61 1k23 s GLN 90 CO 0.12 -0.05 1.44 0.08 -0.55 0.00 0.00 175.29 176.33 1k23 s VAL 91 N 1.37 3.70 0.18 1.34 1.01 -1.26 -1.07 120.40 125.67 1k23 s VAL 91 Ca 0.08 0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 1k23 s VAL 91 Cb -0.15 -4.50 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 1k23 s VAL 91 CO 0.07 -1.33 1.55 -0.07 0.00 0.00 0.00 175.10 175.32 1k23 h LEU 92 N 13.59 0.91 -7.01 3.92 4.07 -0.58 -3.46 115.31 126.75 1k23 h LEU 92 Ca -0.27 -0.37 0.05 0.00 0.08 0.00 0.00 57.88 57.37 1k23 h LEU 92 Cb 1.09 -0.25 -0.14 0.00 1.08 0.00 0.00 40.66 42.44 1k23 h LEU 92 CO 1.21 1.13 0.36 -1.83 -1.08 0.00 0.00 178.44 178.24 1k23 s GLU 93 N -4.52 1.04 -0.05 1.13 -1.05 -1.25 -2.62 118.70 111.38 1k23 s GLU 93 Ca -0.10 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1k23 s GLU 93 Cb 0.12 0.47 0.02 0.00 -0.44 0.00 0.00 34.13 34.31 1k23 s GLU 93 CO 0.86 -0.45 -0.02 0.08 0.95 0.00 0.00 175.26 176.67 1k23 s VAL 94 N -3.41 0.41 -0.28 1.83 1.01 -0.69 -1.36 120.40 117.92 1k23 s VAL 94 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1k23 s VAL 94 Cb -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.94 1k23 s VAL 94 CO -0.11 0.21 -0.06 -0.63 0.00 0.00 0.00 175.10 174.51 1k23 s ILE 95 N 1.17 2.50 0.33 2.22 -1.09 -0.06 -1.05 121.20 125.22 1k23 s ILE 95 Ca -0.07 -1.54 -0.00 0.00 -2.23 0.00 0.00 60.65 56.80 1k23 s ILE 95 Cb -0.14 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.28 1k23 s ILE 95 CO -0.02 -0.07 0.42 -0.62 -1.23 0.00 0.00 174.94 173.43 1k23 s ASP 96 N 1.16 1.04 0.00 3.58 2.15 -1.04 -0.94 116.67 122.62 1k23 s ASP 96 Ca -0.07 -1.53 0.13 0.00 0.43 0.00 0.00 52.55 51.51 1k23 s ASP 96 Cb -0.20 0.63 0.22 0.00 -0.30 0.00 0.00 42.92 43.27 1k23 s ASP 96 CO -0.03 -1.23 1.05 0.00 -0.17 0.00 0.00 175.17 174.78 1k23 n HIS 97 N -0.57 0.00 -4.75 -5.34 1.44 -1.26 -2.57 115.22 102.18 1k23 n HIS 97 Ca 0.02 -0.35 -0.33 0.00 -2.01 0.00 0.00 57.72 55.06 1k23 n HIS 97 Cb 0.62 0.03 -0.08 0.00 0.12 0.00 0.00 29.99 30.68 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 1.84 1.05 -1.40 3.76 -1.26 -4.70 115.29 114.57 1k23 s HIS 98 Ca 0.17 -1.00 -0.12 0.00 -0.15 0.00 0.00 55.06 53.97 1k23 s HIS 98 Cb 0.20 -1.56 0.22 0.00 1.11 0.00 0.00 32.58 32.55 1k23 s HIS 98 CO -0.09 0.17 1.07 -0.98 -0.85 0.00 0.00 174.74 174.07 1k23 s ARG 99 N -3.87 -0.04 -0.21 1.40 1.70 -1.26 -4.99 118.95 111.69 1k23 s ARG 99 Ca 0.06 1.02 -0.04 0.00 -0.47 0.00 0.00 55.73 56.30 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 -3.18 -0.02 0.42 -1.08 0.00 0.00 175.30 171.47 1k23 s ILE 100 N -2.60 3.69 0.04 4.99 1.01 -1.26 -4.88 121.20 122.18 1k23 s ILE 100 Ca 0.67 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.65 1k23 s ILE 100 Cb -0.23 -2.67 0.09 0.00 0.01 0.00 0.00 42.46 39.66 1k23 s ILE 100 CO 0.61 0.43 0.79 0.00 0.00 0.00 0.00 174.94 176.77 1k23 s ALA 101 N 1.17 -1.75 -1.58 9.38 0.00 -1.26 -4.94 121.76 122.78 1k23 s ALA 101 Ca 0.03 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 52.78 1k23 s ALA 101 Cb -0.14 0.48 0.09 0.00 0.00 0.00 0.00 23.12 23.55 1k23 s ALA 101 CO 0.00 -0.68 0.59 0.09 0.00 0.00 0.00 175.76 175.77 1k23 n ASN 102 N -0.17 -1.88 -3.83 0.00 3.02 -1.26 -3.79 115.26 107.35 1k23 n ASN 102 Ca -0.12 -1.03 -0.12 0.00 -0.03 0.00 0.00 54.58 53.28 1k23 n ASN 102 Cb 0.62 -2.78 -0.11 0.00 -0.61 0.00 0.00 39.78 36.90 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 -0.11 -0.19 3.10 5.36 -1.26 -1.12 117.98 120.13 1k23 s PHE 103 Ca 0.41 0.24 -0.28 0.00 -0.96 0.00 0.00 56.93 56.34 1k23 s PHE 103 Cb -0.22 0.02 0.12 0.00 -0.34 0.00 0.00 43.02 42.60 1k23 s PHE 103 CO 0.92 -0.17 0.97 -2.00 -1.46 0.00 0.00 175.22 173.48 1k23 s GLU 104 N -0.49 0.62 0.04 10.12 2.12 -1.26 -5.10 118.70 124.74 1k23 s GLU 104 Ca -0.06 0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.64 1k23 s GLU 104 Cb -0.04 0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 1k23 s GLU 104 CO 0.01 -0.16 -0.11 0.95 -0.54 0.00 0.00 175.26 175.41 1k23 s THR 105 N -0.63 0.87 -0.10 -1.70 -4.23 -1.26 -5.03 115.64 103.56 1k23 s THR 105 Ca -0.01 -0.99 0.15 0.00 -1.18 0.00 0.00 61.69 59.66 1k23 s THR 105 Cb -0.02 -0.83 -0.09 0.00 1.34 0.00 0.00 72.50 72.90 1k23 s THR 105 CO -0.00 -0.13 1.05 0.00 -0.54 0.00 0.00 174.62 174.99 1k23 h ALA 106 N 4.81 0.64 -1.87 3.99 0.00 -2.01 -3.47 119.26 121.36 1k23 h ALA 106 Ca -0.37 -0.80 -0.60 0.00 0.00 0.00 0.00 54.91 53.14 1k23 h ALA 106 Cb 1.19 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.99 1k23 h ALA 106 CO 0.43 0.94 -0.65 -2.00 0.00 0.00 0.00 179.25 177.97 1k23 s GLU 107 N -2.88 1.83 1.03 0.00 2.56 -1.26 -5.14 118.70 114.85 1k23 s GLU 107 Ca -0.01 -1.98 -0.13 0.00 0.00 0.00 0.00 54.97 52.86 1k23 s GLU 107 Cb 0.08 -1.59 0.21 0.00 2.00 0.00 0.00 34.13 34.83 1k23 s GLU 107 CO 0.79 0.05 1.09 -2.14 -0.56 0.00 0.00 175.26 174.50 1k23 s PRO 108 N -3.67 0.16 0.13 4.30 0.02 -1.26 -5.05 135.00 129.63 1k23 s PRO 108 Ca 0.33 0.47 -0.25 0.00 0.02 0.00 0.00 61.00 61.57 1k23 s PRO 108 Cb 0.05 -1.71 0.08 0.00 0.02 0.00 0.00 34.50 32.94 1k23 s PRO 108 CO 0.16 -2.90 1.04 -0.48 -0.33 0.00 0.00 177.00 174.49 1k23 s LEU 109 N -6.56 -0.11 -0.89 -5.54 -0.00 -1.26 -5.01 118.68 99.30 1k23 s LEU 109 Ca 0.66 -0.41 -0.17 0.00 -0.00 0.00 0.00 54.13 54.20 1k23 s LEU 109 Cb -0.19 1.99 0.15 0.00 -0.00 0.00 0.00 46.19 48.15 1k23 s LEU 109 CO 0.58 -0.81 1.01 -0.47 -0.00 0.00 0.00 176.35 176.67 1k23 s TYR 110 N -2.87 3.29 -0.24 3.48 5.04 -1.08 -5.00 117.35 119.97 1k23 s TYR 110 Ca 0.15 -1.54 -0.10 0.00 -2.44 0.00 0.00 57.07 53.14 1k23 s TYR 110 Cb -0.01 -4.14 -0.05 0.00 0.35 0.00 0.00 41.96 38.12 1k23 s TYR 110 CO 0.02 -1.34 0.13 -0.47 -1.34 0.00 0.00 175.55 172.55 1k23 s TYR 111 N 1.99 3.25 -0.31 4.97 5.04 -1.26 -1.71 117.35 129.32 1k23 s TYR 111 Ca 0.28 0.08 -0.02 0.00 -2.44 0.00 0.00 57.07 54.97 1k23 s TYR 111 Cb -0.07 -2.25 0.11 0.00 0.35 0.00 0.00 41.96 40.10 1k23 s TYR 111 CO -0.09 -0.02 0.14 0.50 -1.34 0.00 0.00 175.55 174.74 1k23 s ARG 112 N 1.14 0.44 -0.01 4.97 3.52 -0.22 -4.96 118.95 123.82 1k23 s ARG 112 Ca 0.06 -0.86 0.06 0.00 -0.13 0.00 0.00 55.73 54.86 1k23 s ARG 112 Cb -0.14 -1.46 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 1k23 s ARG 112 CO 0.05 -1.04 -0.18 0.00 -0.81 0.00 0.00 175.30 173.31 1k23 s ALA 113 N 1.74 2.52 0.05 6.12 0.00 -1.26 -2.51 121.76 128.43 1k23 s ALA 113 Ca 0.11 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1k23 s ALA 113 Cb -0.18 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1k23 s ALA 113 CO -0.27 0.56 -0.12 -1.21 0.00 0.00 0.00 175.76 174.72 1k23 s GLU 114 N -0.94 0.72 0.00 0.00 2.02 -1.06 -5.00 118.70 114.44 1k23 s GLU 114 Ca 0.12 -0.83 -0.03 0.00 0.02 0.00 0.00 54.97 54.25 1k23 s GLU 114 Cb -0.10 -0.64 -0.12 0.00 0.10 0.00 0.00 34.13 33.37 1k23 s GLU 114 CO 0.02 0.14 2.22 -2.30 0.02 0.00 0.00 175.26 175.36 1k23 n PRO 115 N 1.49 1.15 -3.75 0.39 -0.02 -1.26 -4.46 135.00 128.53 1k23 n PRO 115 Ca -0.21 -0.43 -0.24 0.00 -2.02 0.00 0.00 63.50 60.59 1k23 n PRO 115 Cb 0.54 -1.58 -0.01 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.18 1.99 -2.26 -1.45 -7.23 -1.26 -4.98 120.40 106.39 1k23 s VAL 116 Ca 0.29 -1.43 0.29 0.00 -1.81 0.00 0.00 61.98 59.32 1k23 s VAL 116 Cb 0.14 -2.42 0.57 0.00 0.56 0.00 0.00 36.38 35.22 1k23 s VAL 116 CO 0.00 0.00 1.81 0.61 -0.31 0.00 0.00 175.10 177.21 1k23 n GLY 117 N -1.71 -0.31 3.63 2.32 0.00 -1.23 -4.89 105.19 102.99 1k23 n GLY 117 Ca 0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 3.95 1.00 -0.65 0.00 2.02 -1.91 -2.20 112.91 115.11 1k23 h THR 119 Ca -0.29 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.63 1k23 h THR 119 Cb 1.16 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1k23 h THR 119 CO 0.06 0.16 0.43 0.00 0.37 0.00 0.00 175.52 176.54 1k23 h ALA 120 N 1.56 1.64 -0.87 6.16 0.00 -1.94 -1.71 119.26 124.10 1k23 h ALA 120 Ca 0.37 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.34 1k23 h ALA 120 Cb 0.33 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1k23 h ALA 120 CO -0.14 0.29 0.56 1.15 0.00 0.00 0.00 179.25 181.11 1k23 h THR 121 N 0.78 0.98 0.04 0.00 2.02 -1.79 0.41 112.91 115.36 1k23 h THR 121 Ca 0.26 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1k23 h THR 121 Cb 0.07 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1k23 h THR 121 CO -0.07 0.16 -0.02 0.40 0.37 0.00 0.00 175.52 176.36 1k23 h ILE 122 N 0.88 1.30 -0.53 3.11 2.04 -1.42 -3.10 117.51 119.80 1k23 h ILE 122 Ca 0.40 -1.19 0.10 0.00 1.00 0.00 0.00 64.86 65.16 1k23 h ILE 122 Cb 0.37 2.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.45 1k23 h ILE 122 CO -0.16 0.30 0.02 -0.07 0.00 0.00 0.00 178.15 178.24 1k23 h LEU 123 N -0.59 -0.19 -1.24 1.44 3.38 -0.96 0.13 115.31 117.29 1k23 h LEU 123 Ca -0.01 0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.31 1k23 h LEU 123 Cb 0.53 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 1k23 h LEU 123 CO 0.01 -0.06 0.63 -1.13 0.09 0.00 0.00 178.44 177.97 1k23 h ASN 124 N 0.14 0.58 0.00 -0.43 -1.24 -0.96 0.18 115.58 113.84 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 0.41 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.44 1k23 h ASN 124 CO -0.43 0.17 0.00 0.29 -1.29 0.00 0.00 177.43 176.17 1k23 n LYS 125 N -4.67 0.34 0.00 6.67 5.02 0.45 -3.11 118.16 122.86 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 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 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 0.61 0.00 -0.10 2.13 4.02 0.62 -0.32 117.16 124.11 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 0.13 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.60 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 0.79 -0.49 -0.72 1.57 -1.80 0.11 116.57 116.03 1k23 h LYS 128 Ca 0.00 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 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 0.83 0.21 0.93 -0.57 0.00 0.00 179.45 180.84 1k23 h GLU 129 N 0.72 0.69 -0.31 3.15 5.08 -0.96 -1.43 114.58 121.52 1k23 h GLU 129 Ca 0.13 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1k23 h GLU 129 Cb 0.51 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1k23 h GLU 129 CO 0.03 0.56 0.00 0.09 -1.00 0.00 0.00 179.01 178.69 1k23 n ASN 130 N -4.36 2.78 -3.42 1.42 3.02 -0.97 -4.99 115.26 108.75 1k23 n ASN 130 Ca 0.04 -1.90 -0.25 0.00 -0.03 0.00 0.00 54.58 52.44 1k23 n ASN 130 Cb 0.14 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 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 -6.03 -3.77 6.41 5.15 -0.04 -4.99 115.26 113.03 1k23 n ASN 131 Ca 0.18 -0.26 -0.21 0.00 -0.60 0.00 0.00 54.58 53.69 1k23 n ASN 131 Cb 0.50 -2.77 -0.17 0.00 -0.53 0.00 0.00 39.78 36.81 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 -2.30 0.26 0.34 3.44 1.01 -0.77 -5.02 120.40 117.36 1k23 s VAL 132 Ca 0.20 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 1k23 s VAL 132 Cb -0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 36.38 35.84 1k23 s VAL 132 CO 0.85 0.22 1.36 -0.75 0.00 0.00 0.00 175.10 176.77 1k23 s LYS 133 N 1.70 4.29 -0.29 2.72 2.20 -1.26 -4.62 119.74 124.47 1k23 s LYS 133 Ca 0.00 2.31 -0.18 0.00 -0.36 0.00 0.00 55.97 57.74 1k23 s LYS 133 Cb -0.13 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 1k23 s LYS 133 CO -0.04 -0.29 0.53 0.42 -0.36 0.00 0.00 175.35 175.61 1k23 s ILE 134 N -1.08 5.04 0.23 5.43 1.01 -1.26 -5.04 121.20 125.53 1k23 s ILE 134 Ca 0.50 0.72 -0.31 0.00 0.00 0.00 0.00 60.65 61.57 1k23 s ILE 134 Cb -0.42 -3.88 -0.11 0.00 0.01 0.00 0.00 42.46 38.06 1k23 s ILE 134 CO 0.55 -0.03 1.57 -1.61 0.00 0.00 0.00 174.94 175.42 1k23 s GLU 135 N 2.37 4.19 0.27 2.79 2.02 -1.26 -4.81 118.70 124.26 1k23 s GLU 135 Ca 0.21 2.45 -0.08 0.00 0.02 0.00 0.00 54.97 57.57 1k23 s GLU 135 Cb -0.15 -3.09 0.45 0.00 0.10 0.00 0.00 34.13 31.43 1k23 s GLU 135 CO 0.11 -0.59 1.58 -0.22 0.02 0.00 0.00 175.26 176.16 1k23 h LYS 136 N 5.80 0.01 -0.40 1.61 3.64 -1.97 -0.98 116.57 124.27 1k23 h LYS 136 Ca -0.45 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.99 1k23 h LYS 136 Cb 1.21 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.94 1k23 h LYS 136 CO 0.85 0.01 -0.49 0.93 -2.27 0.00 0.00 179.45 178.48 1k23 h GLU 137 N 0.01 -0.35 -0.12 1.90 4.39 -1.90 -2.83 114.58 115.67 1k23 h GLU 137 Ca 0.45 0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.98 1k23 h GLU 137 Cb 0.74 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1k23 h GLU 137 CO -0.91 -0.24 -0.72 -0.84 -1.16 0.00 0.00 179.01 175.14 1k23 h ILE 138 N -0.37 1.33 -1.05 3.13 3.07 -1.63 -3.08 117.51 118.92 1k23 h ILE 138 Ca 0.11 -2.03 0.28 0.00 1.55 0.00 0.00 64.86 64.77 1k23 h ILE 138 Cb 0.60 2.01 -0.11 0.00 -0.27 0.00 0.00 36.82 39.04 1k23 h ILE 138 CO -0.58 0.63 0.65 0.00 -1.05 0.00 0.00 178.15 177.79 1k23 h ALA 139 N 0.79 2.09 -0.62 0.16 0.00 -0.99 0.51 119.26 121.20 1k23 h ALA 139 Ca -0.03 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1k23 h ALA 139 Cb 1.32 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1k23 h ALA 139 CO 0.14 -0.56 0.22 0.78 0.00 0.00 0.00 179.25 179.83 1k23 h GLY 140 N 0.43 1.01 -1.31 0.00 0.00 -1.41 0.77 103.07 102.55 1k23 h GLY 140 Ca 0.65 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1k23 h GLY 140 CO -0.40 0.53 0.00 1.04 0.00 0.00 0.00 176.54 177.71 1k23 n LEU 141 N -4.42 0.16 0.00 3.11 4.77 0.18 0.23 117.00 121.03 1k23 n LEU 141 Ca 0.04 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1k23 n LEU 141 Cb 0.19 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1k23 n LEU 141 CO 0.40 0.03 0.00 -0.11 -1.33 0.00 0.00 177.39 176.38 1k23 n LEU 143 N 0.61 0.00 0.22 2.23 -0.00 0.26 -0.71 117.00 119.61 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 43.38 1k23 n LEU 143 CO 0.00 0.00 0.72 0.28 -0.00 0.00 0.00 177.39 178.39 1k23 h SER 144 N 0.00 -0.55 -0.61 1.96 0.02 -0.46 -1.17 113.55 112.74 1k23 h SER 144 Ca 0.00 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.09 1k23 h SER 144 Cb 0.00 0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.62 1k23 h SER 144 CO 0.00 -0.36 0.16 0.00 -1.14 0.00 0.00 176.83 175.50 1k23 h ALA 145 N 0.05 0.75 0.29 3.77 0.00 -1.17 0.24 119.26 123.18 1k23 h ALA 145 Ca -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1k23 h ALA 145 Cb 0.46 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1k23 h ALA 145 CO 0.04 -0.27 -0.15 0.82 0.00 0.00 0.00 179.25 179.69 1k23 h ILE 146 N 0.31 0.68 -0.31 0.00 2.04 -1.77 0.66 117.51 119.12 1k23 h ILE 146 Ca 0.32 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.25 1k23 h ILE 146 Cb 0.45 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 1k23 h ILE 146 CO -0.37 0.00 -0.22 0.40 0.00 0.00 0.00 178.15 177.95 1k23 h ILE 147 N -0.41 0.41 -0.18 -0.67 1.08 -0.47 0.90 117.51 118.16 1k23 h ILE 147 Ca -0.03 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 1k23 h ILE 147 Cb 0.33 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.42 1k23 h ILE 147 CO 0.05 0.00 -0.22 -1.28 -0.69 0.00 0.00 178.15 176.01 1k23 h SER 148 N -0.19 -0.70 0.24 1.72 0.87 -0.15 -0.09 113.55 115.26 1k23 h SER 148 Ca 0.16 0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.72 1k23 h SER 148 Cb 0.44 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1k23 h SER 148 CO -0.42 -0.27 -0.46 0.44 -0.53 0.00 0.00 176.83 175.59 1k23 h ASP 149 N -0.26 0.29 -0.38 6.23 3.32 -0.40 -3.14 116.42 122.08 1k23 h ASP 149 Ca 0.12 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1k23 h ASP 149 Cb 0.43 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1k23 h ASP 149 CO -0.33 0.71 0.00 -1.54 -1.72 0.00 0.00 179.24 176.36 1k23 n SER 150 N -3.99 2.68 -4.00 6.45 3.41 0.27 -4.87 113.62 113.57 1k23 n SER 150 Ca -0.02 -1.92 -0.28 0.00 -0.26 0.00 0.00 58.87 56.40 1k23 n SER 150 Cb 0.52 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.97 -1.95 -3.32 1.04 4.77 -0.11 -0.58 117.00 117.83 1k23 n LEU 151 Ca 0.18 -1.07 -0.17 0.00 -0.03 0.00 0.00 56.01 54.91 1k23 n LEU 151 Cb 0.46 -2.09 0.08 0.00 -2.33 0.00 0.00 43.42 39.54 1k23 n LEU 151 CO 0.13 0.46 0.13 -0.11 -1.33 0.00 0.00 177.39 176.68 1k23 n LEU 152 N -4.45 -3.80 0.00 2.23 7.94 -0.83 -2.47 117.00 115.62 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 -2.96 0.00 0.00 0.53 0.00 0.00 43.42 41.66 1k23 n LEU 152 CO 0.76 0.41 0.00 0.49 -1.11 0.00 0.00 177.39 177.95 1k23 n PHE 153 N -4.15 0.00 0.56 1.96 3.01 -0.05 -4.82 117.46 113.97 1k23 n PHE 153 Ca -0.21 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.36 1k23 n PHE 153 Cb 0.64 -1.20 0.05 0.00 -0.01 0.00 0.00 39.48 38.95 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 -0.85 0.30 -1.85 -1.08 4.76 -0.07 -4.91 118.16 114.46 1k23 n LYS 154 Ca 0.00 0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 55.07 1k23 n LYS 154 Cb 0.24 -1.61 0.03 0.00 -1.84 0.00 0.00 35.03 31.84 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 -4.00 5.59 0.61 4.39 0.15 0.26 -4.90 113.70 115.79 1k23 s SER 155 Ca 0.04 2.76 0.40 0.00 0.70 0.00 0.00 55.95 59.85 1k23 s SER 155 Cb 0.14 -2.64 1.95 0.00 -1.71 0.00 0.00 66.02 63.77 1k23 s SER 155 CO 0.79 -1.35 2.19 1.55 1.20 0.00 0.00 173.24 177.62 1k23 h PRO 156 N 1.84 0.00 0.00 5.44 0.13 -1.92 -2.11 132.00 135.38 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 -0.96 0.25 -0.23 0.00 0.00 178.00 177.65 1k23 n THR 157 N -3.06 0.21 -1.64 1.56 -2.24 -1.26 -4.95 114.28 102.89 1k23 n THR 157 Ca -0.01 -0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 1k23 n THR 157 Cb 0.17 0.13 0.06 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.49 1.03 0.54 0.00 2.01 -1.26 -4.88 115.64 111.59 1k23 s THR 159 Ca 0.78 -2.02 0.23 0.00 0.31 0.00 0.00 61.69 60.99 1k23 s THR 159 Cb -0.41 -1.80 0.35 0.00 0.01 0.00 0.00 72.50 70.66 1k23 s THR 159 CO 0.45 -0.78 2.06 0.44 -0.69 0.00 0.00 174.62 176.10 1k23 h ASP 160 N 2.84 0.00 -0.14 3.53 3.32 -1.99 0.35 116.42 124.33 1k23 h ASP 160 Ca -0.36 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.48 1k23 h ASP 160 Cb 1.18 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.74 1k23 h ASP 160 CO 0.64 0.00 -0.72 1.56 -1.72 0.00 0.00 179.24 178.99 1k23 h GLN 161 N 0.00 0.78 -0.37 3.56 4.20 -1.98 -1.43 115.11 119.86 1k23 h GLN 161 Ca 0.15 -0.60 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 1k23 h GLN 161 Cb 0.64 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1k23 h GLN 161 CO -0.00 1.21 0.18 -0.44 -0.67 0.00 0.00 178.83 179.12 1k23 h ASP 162 N 0.55 0.48 -0.38 1.46 3.32 -1.38 -0.51 116.42 119.97 1k23 h ASP 162 Ca -0.04 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1k23 h ASP 162 Cb 1.34 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1k23 h ASP 162 CO 0.15 0.46 0.05 0.58 -1.72 0.00 0.00 179.24 178.77 1k23 h VAL 163 N 0.46 1.24 -0.17 -1.35 2.07 -1.22 0.16 116.25 117.44 1k23 h VAL 163 Ca 0.13 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 1k23 h VAL 163 Cb 0.11 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1k23 h VAL 163 CO -0.02 0.30 -0.28 0.00 0.02 0.00 0.00 177.57 177.59 1k23 h ALA 164 N 0.91 1.22 -0.27 1.67 0.00 -1.18 -1.46 119.26 120.15 1k23 h ALA 164 Ca 0.11 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1k23 h ALA 164 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1k23 h ALA 164 CO 0.01 0.52 -0.36 0.00 0.00 0.00 0.00 179.25 179.42 1k23 h ALA 165 N 1.43 0.41 -0.34 0.00 0.00 -0.75 -2.33 119.26 117.69 1k23 h ALA 165 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1k23 h ALA 165 Cb 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1k23 h ALA 165 CO 0.05 0.48 0.16 0.00 0.00 0.00 0.00 179.25 179.94 1k23 h ALA 166 N 0.68 0.43 -0.32 0.00 0.00 -0.44 -0.58 119.26 119.03 1k23 h ALA 166 Ca 0.03 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1k23 h ALA 166 Cb 0.94 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1k23 h ALA 166 CO 0.08 -0.01 0.01 0.87 0.00 0.00 0.00 179.25 180.20 1k23 h LYS 167 N 0.41 0.10 -0.32 0.00 6.56 -1.23 0.18 116.57 122.26 1k23 h LYS 167 Ca 0.12 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1k23 h LYS 167 Cb 0.12 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 1k23 h LYS 167 CO -0.01 0.06 0.20 1.49 -2.06 0.00 0.00 179.45 179.13 1k23 h GLU 168 N 0.10 0.43 -0.25 3.15 4.81 -1.21 -2.74 114.58 118.87 1k23 h GLU 168 Ca 0.15 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1k23 h GLU 168 Cb 0.21 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1k23 h GLU 168 CO -0.26 0.30 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.22 1k23 h LEU 169 N 0.42 0.48 -1.63 1.64 3.38 -0.68 -3.00 115.31 115.92 1k23 h LEU 169 Ca 0.12 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 57.86 1k23 h LEU 169 Cb -0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1k23 h LEU 169 CO -0.02 0.71 0.44 0.00 0.09 0.00 0.00 178.44 179.66 1k23 h ALA 170 N 0.78 2.07 0.05 1.53 0.00 -0.59 0.58 119.26 123.68 1k23 h ALA 170 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1k23 h ALA 170 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1k23 h ALA 170 CO 0.02 -0.23 -0.03 1.49 0.00 0.00 0.00 179.25 180.50 1k23 h GLU 171 N 0.39 -0.07 -0.56 0.00 4.81 -1.39 0.01 114.58 117.77 1k23 h GLU 171 Ca 0.31 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 1k23 h GLU 171 Cb 0.68 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 1k23 h GLU 171 CO -0.09 0.38 0.24 0.82 -0.73 0.00 0.00 179.01 179.63 1k23 h ILE 172 N -0.54 0.85 0.00 2.32 2.04 -1.23 0.11 117.51 121.07 1k23 h ILE 172 Ca -0.01 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1k23 h ILE 172 Cb 0.48 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1k23 h ILE 172 CO 0.01 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.24 1k23 n ALA 173 N -2.41 2.10 -3.36 1.87 0.00 0.12 -4.64 120.51 114.20 1k23 n ALA 173 Ca 0.07 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 1k23 n ALA 173 Cb 0.21 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 18.41 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 0.30 -1.01 3.45 0.00 0.00 0.40 -4.91 105.19 103.43 1k23 n GLY 174 Ca 0.11 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.07 -5.04 120.40 114.15 1k23 s VAL 175 Ca 0.39 -1.65 -0.08 0.00 0.00 0.00 0.00 61.98 60.64 1k23 s VAL 175 Cb -0.07 -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 -3.17 5.48 0.00 3.32 3.68 -1.26 -4.44 116.67 120.28 1k23 s ASP 176 Ca 0.30 -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 39.55 1k23 s ASP 176 CO 0.16 -0.34 0.52 0.00 0.13 0.00 0.00 175.17 175.64 1k23 n ALA 177 N 4.89 0.00 -0.09 3.66 0.00 -1.26 -0.43 120.51 127.28 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 0.31 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 0.73 0.78 0.00 9.09 -1.98 0.62 114.58 123.82 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 0.54 -0.38 1.49 0.05 0.00 0.00 179.01 180.71 1k23 h GLU 179 N 0.73 -1.02 -0.61 1.06 4.81 -1.59 -1.85 114.58 116.12 1k23 h GLU 179 Ca 0.19 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1k23 h GLU 179 Cb 0.03 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1k23 h GLU 179 CO -0.03 -0.68 0.35 -0.92 -0.73 0.00 0.00 179.01 177.00 1k23 h TYR 180 N -1.24 0.65 -0.28 0.92 3.20 -0.72 -2.92 116.97 116.58 1k23 h TYR 180 Ca -0.11 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.85 1k23 h TYR 180 Cb 0.81 -0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.80 1k23 h TYR 180 CO 0.01 0.34 -0.27 0.78 -1.64 0.00 0.00 178.16 177.39 1k23 h GLY 181 N 0.68 -0.18 0.46 1.82 0.00 -0.85 -2.14 103.07 102.85 1k23 h GLY 181 Ca 0.26 0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.99 1k23 h GLY 181 CO -0.14 -0.20 0.08 1.41 0.00 0.00 0.00 176.54 177.68 1k23 h LEU 182 N -0.25 -0.01 -0.54 3.11 3.38 -1.15 0.22 115.31 120.07 1k23 h LEU 182 Ca 0.15 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1k23 h LEU 182 Cb 0.49 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1k23 h LEU 182 CO -0.43 0.03 0.00 0.59 0.09 0.00 0.00 178.44 178.72 1k23 n ASN 183 N -5.11 0.00 0.00 -0.43 3.02 -0.81 -0.27 115.26 111.66 1k23 n ASN 183 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1k23 n ASN 183 Cb 0.20 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 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 0.03 0.00 -0.06 3.41 4.77 0.78 -1.15 117.00 124.79 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 0.95 0.11 -1.33 0.00 0.00 177.39 177.12 1k23 h LYS 186 N 0.00 0.27 0.00 3.23 1.57 -0.86 -0.73 116.57 120.04 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 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1k23 h LYS 186 CO 0.00 0.18 0.09 0.00 -0.57 0.00 0.00 179.45 179.15 1k23 n ALA 187 N -2.21 0.86 -1.00 3.86 0.00 -0.30 -2.82 120.51 118.90 1k23 n ALA 187 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1k23 n ALA 187 Cb 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.23 -3.04 1.06 0.00 0.00 -0.28 -3.90 105.19 97.80 1k23 n GLY 188 Ca 0.00 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.90 2.44 -0.45 4.61 0.00 -1.22 -4.40 120.51 120.59 1k23 n ALA 189 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1k23 n ALA 189 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.31 0.00 0.07 0.00 -0.08 -1.13 -4.81 116.55 111.92 1k23 n ASP 190 Ca 0.19 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.52 1k23 n ASP 190 Cb 0.57 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.99 1k23 n ASP 190 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1k23 h LEU 191 N 0.78 0.00 -2.74 -2.67 3.38 -1.94 -3.33 115.31 108.78 1k23 h LEU 191 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k23 h LEU 191 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1k23 h LEU 191 CO 0.00 0.32 0.06 0.77 0.09 0.00 0.00 178.44 179.67 1k23 h SER 192 N 0.00 0.00 -1.03 -0.43 4.64 -1.93 -1.57 113.55 113.24 1k23 h SER 192 Ca -0.08 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.62 1k23 h SER 192 Cb 1.32 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.03 1k23 h SER 192 CO 0.03 0.00 -0.13 0.29 -0.87 0.00 0.00 176.83 176.15 1k23 n LYS 193 N -2.99 3.24 -3.97 4.77 5.02 -1.25 -4.98 118.16 117.99 1k23 n LYS 193 Ca -0.03 -3.89 -0.13 0.00 -2.02 0.00 0.00 58.31 52.24 1k23 n LYS 193 Cb 0.12 -2.28 -0.14 0.00 -0.02 0.00 0.00 35.03 32.71 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 -3.70 0.17 0.64 1.97 1.02 -0.59 -5.12 119.74 114.13 1k23 s LYS 194 Ca 0.55 -0.15 -0.18 0.00 0.02 0.00 0.00 55.97 56.21 1k23 s LYS 194 Cb 0.44 -0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.62 1k23 s LYS 194 CO -0.04 0.03 1.24 0.99 -0.92 0.00 0.00 175.35 176.64 1k23 s THR 195 N -0.24 2.38 0.35 2.17 2.01 -1.26 -4.86 115.64 116.19 1k23 s THR 195 Ca -0.01 0.23 0.34 0.00 0.31 0.00 0.00 61.69 62.55 1k23 s THR 195 Cb -0.02 -3.03 0.37 0.00 0.01 0.00 0.00 72.50 69.83 1k23 s THR 195 CO -0.00 -0.06 2.11 0.58 -0.69 0.00 0.00 174.62 176.55 1k23 h VAL 196 N 0.55 0.22 0.00 3.82 2.07 -1.96 0.11 116.25 121.06 1k23 h VAL 196 Ca -0.50 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1k23 h VAL 196 Cb 1.31 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1k23 h VAL 196 CO 0.53 0.05 -0.56 -0.08 0.02 0.00 0.00 177.57 177.54 1k23 h GLU 197 N 0.00 0.00 0.10 1.57 4.81 -1.93 -3.24 114.58 115.89 1k23 h GLU 197 Ca -0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1k23 h GLU 197 Cb 0.34 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.73 1k23 h GLU 197 CO 0.01 0.00 -0.66 0.93 -0.73 0.00 0.00 179.01 178.55 1k23 h GLU 198 N 0.00 0.27 -0.42 1.92 5.08 -1.34 -3.32 114.58 116.77 1k23 h GLU 198 Ca 0.00 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1k23 h GLU 198 Cb 0.85 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1k23 h GLU 198 CO 0.00 1.18 0.26 -0.07 -1.00 0.00 0.00 179.01 179.38 1k23 h LEU 199 N -0.41 0.43 0.00 1.33 3.38 -1.48 -1.85 115.31 116.71 1k23 h LEU 199 Ca -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1k23 h LEU 199 Cb 1.49 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1k23 h LEU 199 CO 0.13 0.31 0.00 -0.38 0.09 0.00 0.00 178.44 178.59 1k23 n ILE 200 N -4.83 0.13 0.00 1.22 5.41 -1.22 -3.09 119.36 116.98 1k23 n ILE 200 Ca 0.01 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1k23 n ILE 200 Cb 0.04 -0.84 -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 -1.05 4.63 0.00 4.38 3.41 -0.75 -4.81 113.62 119.43 1k23 n SER 201 Ca 0.09 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1k23 n SER 201 Cb 0.05 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1k23 n SER 201 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k23 n LEU 202 N -1.48 0.00 -4.28 1.04 4.77 -0.89 -3.96 117.00 112.22 1k23 n LEU 202 Ca -0.00 0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.59 1k23 n LEU 202 Cb 0.01 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1k23 n LEU 202 CO 0.01 0.00 0.77 -0.67 -1.33 0.00 0.00 177.39 176.16 1k23 n ASP 203 N -0.08 5.45 -4.33 -1.43 -0.08 -1.26 -5.01 116.55 109.82 1k23 n ASP 203 Ca 0.00 -3.09 -0.32 0.00 -1.51 0.00 0.00 54.79 49.87 1k23 n ASP 203 Cb 0.00 -1.33 -0.15 0.00 2.34 0.00 0.00 41.12 41.98 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 -1.46 2.38 -0.01 -1.67 0.00 -1.25 -1.91 121.76 117.84 1k23 s ALA 204 Ca 0.31 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1k23 s ALA 204 Cb -0.08 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 1k23 s ALA 204 CO -0.07 0.39 -0.06 0.15 0.00 0.00 0.00 175.76 176.17 1k23 s LYS 205 N -0.09 0.54 0.03 0.00 1.02 -1.14 -5.02 119.74 115.08 1k23 s LYS 205 Ca -0.04 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.72 1k23 s LYS 205 Cb -0.14 -0.52 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 1k23 s LYS 205 CO 0.04 0.13 0.16 -1.21 -0.92 0.00 0.00 175.35 173.56 1k23 s GLU 206 N -0.12 3.29 0.26 1.68 2.02 -1.26 -2.05 118.70 122.53 1k23 s GLU 206 Ca 0.02 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.57 1k23 s GLU 206 Cb -0.03 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 31.18 1k23 s GLU 206 CO -0.00 0.63 0.11 -0.06 0.02 0.00 0.00 175.26 175.95 1k23 s PHE 207 N -1.39 1.51 -0.38 1.61 0.40 0.96 -4.99 117.98 115.70 1k23 s PHE 207 Ca 0.30 -1.24 0.12 0.00 -0.60 0.00 0.00 56.93 55.51 1k23 s PHE 207 Cb -0.13 -0.85 0.36 0.00 0.51 0.00 0.00 43.02 42.91 1k23 s PHE 207 CO 0.22 -0.40 0.82 2.41 0.70 0.00 0.00 175.22 178.97 1k23 n THR 208 N -0.46 -0.02 -2.35 0.64 -1.04 -1.26 -1.19 114.28 108.61 1k23 n THR 208 Ca 0.00 -3.92 -0.43 0.00 -2.04 0.00 0.00 64.05 57.66 1k23 n THR 208 Cb 0.66 0.12 -0.02 0.00 -1.82 0.00 0.00 70.33 69.26 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 -2.50 3.90 -0.44 -4.42 2.34 -1.09 -3.53 118.68 112.95 1k23 s LEU 209 Ca 0.36 1.33 0.00 0.00 0.06 0.00 0.00 54.13 55.88 1k23 s LEU 209 Cb 0.35 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 42.45 1k23 s LEU 209 CO -0.06 -1.10 0.00 0.61 -1.06 0.00 0.00 176.35 174.74 1k23 n GLY 210 N 4.35 0.48 2.37 -3.48 0.00 -1.26 -3.01 105.19 104.65 1k23 n GLY 210 Ca 0.16 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.21 0.00 -4.81 1.61 3.41 -1.23 -5.03 113.62 108.78 1k23 n SER 211 Ca -0.05 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.18 1k23 n SER 211 Cb 0.33 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.21 4.25 -0.22 4.33 -0.14 -1.16 -5.05 119.74 121.53 1k23 s LYS 212 Ca 0.00 0.80 -0.19 0.00 -1.36 0.00 0.00 55.97 55.23 1k23 s LYS 212 Cb 0.00 -3.15 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 1k23 s LYS 212 CO 0.00 0.57 0.54 0.21 -0.76 0.00 0.00 175.35 175.91 1k23 s LYS 213 N -1.37 4.15 0.07 1.68 2.20 -1.26 -2.67 119.74 122.53 1k23 s LYS 213 Ca 0.34 0.42 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 1k23 s LYS 213 Cb -0.19 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 1k23 s LYS 213 CO 0.21 -0.25 -0.07 0.08 -0.36 0.00 0.00 175.35 174.96 1k23 s VAL 214 N 1.95 0.59 -0.02 4.02 1.01 -0.33 -0.52 120.40 127.10 1k23 s VAL 214 Ca 0.24 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1k23 s VAL 214 Cb -0.16 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1k23 s VAL 214 CO 0.09 -0.61 0.02 -0.70 0.00 0.00 0.00 175.10 173.90 1k23 s GLU 215 N -2.60 0.10 -0.19 2.72 2.12 -0.87 -0.02 118.70 119.96 1k23 s GLU 215 Ca -0.00 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.48 1k23 s GLU 215 Cb -0.03 -0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.05 1k23 s GLU 215 CO -0.02 -0.15 -0.15 0.42 -0.54 0.00 0.00 175.26 174.81 1k23 s ILE 216 N 1.04 1.86 -0.03 -3.70 1.01 -0.87 -0.89 121.20 119.63 1k23 s ILE 216 Ca -0.09 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1k23 s ILE 216 Cb -0.13 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1k23 s ILE 216 CO -0.02 0.37 -0.06 0.00 0.00 0.00 0.00 174.94 175.22 1k23 s ALA 217 N 1.34 3.02 0.12 9.38 0.00 -0.42 -2.89 121.76 132.31 1k23 s ALA 217 Ca 0.02 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.13 1k23 s ALA 217 Cb -0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1k23 s ALA 217 CO -0.10 0.60 -0.25 -1.14 0.00 0.00 0.00 175.76 174.86 1k23 s GLN 218 N -1.14 1.33 -0.12 0.00 0.74 -0.80 0.61 119.66 120.29 1k23 s GLN 218 Ca 0.15 -1.31 -0.05 0.00 0.05 0.00 0.00 55.36 54.21 1k23 s GLN 218 Cb -0.11 -1.76 0.06 0.00 1.10 0.00 0.00 33.01 32.29 1k23 s GLN 218 CO 0.05 0.41 0.25 0.08 -0.55 0.00 0.00 175.29 175.53 1k23 s VAL 219 N -1.11 -0.29 -0.21 1.34 1.01 -0.86 -4.10 120.40 116.19 1k23 s VAL 219 Ca 0.12 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1k23 s VAL 219 Cb -0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1k23 s VAL 219 CO 0.06 0.10 0.23 0.20 0.00 0.00 0.00 175.10 175.69 1k23 s ASN 220 N 2.05 6.27 0.12 3.32 0.01 -1.26 -1.39 114.94 124.06 1k23 s ASN 220 Ca -0.02 0.30 -0.01 0.00 -0.71 0.00 0.00 52.86 52.42 1k23 s ASN 220 Cb -0.12 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 1k23 s ASN 220 CO -0.08 0.07 0.05 0.28 -1.51 0.00 0.00 177.10 175.91 1k23 s THR 221 N 0.83 0.12 -2.19 1.60 -1.32 -0.37 -4.82 115.64 109.49 1k23 s THR 221 Ca 0.12 -1.88 0.22 0.00 -1.21 0.00 0.00 61.69 58.93 1k23 s THR 221 Cb -0.13 -1.96 0.52 0.00 -1.51 0.00 0.00 72.50 69.42 1k23 s THR 221 CO 0.04 -0.54 1.46 1.33 -2.21 0.00 0.00 174.62 174.70 1k23 n VAL 222 N -0.07 0.70 -3.15 5.08 0.24 -1.26 -1.76 118.33 118.11 1k23 n VAL 222 Ca -0.07 -0.80 0.05 0.00 -2.04 0.00 0.00 64.34 61.48 1k23 n VAL 222 Cb 0.63 0.63 -0.00 0.00 -1.47 0.00 0.00 33.84 33.63 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 -1.21 -1.16 0.49 -1.34 -1.08 -1.26 -4.81 116.67 106.30 1k23 s ASP 223 Ca 0.42 0.32 0.21 0.00 -0.52 0.00 0.00 52.55 52.98 1k23 s ASP 223 Cb 0.23 1.81 1.26 0.00 -1.46 0.00 0.00 42.92 44.76 1k23 s ASP 223 CO 0.31 -0.21 1.99 0.40 0.52 0.00 0.00 175.17 178.17 1k23 h ILE 224 N 5.58 0.79 -0.87 4.11 2.04 -1.90 -1.15 117.51 126.11 1k23 h ILE 224 Ca -0.09 -0.05 0.21 0.00 1.00 0.00 0.00 64.86 65.92 1k23 h ILE 224 Cb 1.18 0.62 -0.12 0.00 -0.74 0.00 0.00 36.82 37.76 1k23 h ILE 224 CO 0.09 0.03 0.35 -0.08 0.00 0.00 0.00 178.15 178.53 1k23 h GLU 225 N 0.15 0.36 -0.98 2.37 4.57 -1.98 0.10 114.58 119.17 1k23 h GLU 225 Ca 0.27 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.54 1k23 h GLU 225 Cb 0.85 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.27 1k23 h GLU 225 CO -0.04 0.24 0.62 -0.44 -1.18 0.00 0.00 179.01 178.21 1k23 h ASP 226 N 0.37 0.89 0.54 1.04 3.32 -1.63 -1.32 116.42 119.62 1k23 h ASP 226 Ca 0.53 0.04 -0.21 0.00 0.02 0.00 0.00 57.03 57.41 1k23 h ASP 226 Cb 0.99 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1k23 h ASP 226 CO -0.53 0.48 -1.63 0.52 -1.72 0.00 0.00 179.24 176.36 1k23 n VAL 227 N -4.60 1.26 0.10 -1.35 0.31 -0.04 -4.11 118.33 109.89 1k23 n VAL 227 Ca 0.18 -0.73 -0.05 0.00 -0.01 0.00 0.00 64.34 63.74 1k23 n VAL 227 Cb 0.36 -0.75 0.10 0.00 -0.91 0.00 0.00 33.84 32.64 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 0.14 0.00 5.55 3.64 -0.62 -2.89 116.57 122.39 1k23 h LYS 228 Ca -0.23 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1k23 h LYS 228 Cb 1.74 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1k23 h LYS 228 CO 0.05 0.77 0.05 -0.22 -2.27 0.00 0.00 179.45 177.83 1k23 h LYS 229 N 0.10 0.00 -0.77 1.90 3.11 -1.40 -0.69 116.57 118.82 1k23 h LYS 229 Ca -0.01 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.28 1k23 h LYS 229 Cb 1.21 0.00 -0.38 0.00 -1.00 0.00 0.00 32.23 32.06 1k23 h LYS 229 CO 0.10 0.00 -0.48 0.54 -2.81 0.00 0.00 179.45 176.80 1k23 n ARG 230 N -2.47 3.35 0.01 1.90 1.74 -1.09 -4.76 116.66 115.34 1k23 n ARG 230 Ca -0.02 -3.96 -0.08 0.00 -0.77 0.00 0.00 57.85 53.03 1k23 n ARG 230 Cb 0.09 -2.25 0.09 0.00 -1.02 0.00 0.00 32.46 29.38 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 2.08 0.51 0.13 5.56 4.15 -1.25 -2.58 115.11 123.72 1k23 h GLN 231 Ca 0.40 -0.29 0.02 0.00 0.77 0.00 0.00 58.65 59.55 1k23 h GLN 231 Cb 1.40 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.07 1k23 h GLN 231 CO 0.89 0.88 -0.29 0.00 -1.93 0.00 0.00 178.83 178.38 1k23 h ALA 232 N 1.07 -0.50 -0.36 3.38 0.00 -1.85 0.20 119.26 121.19 1k23 h ALA 232 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1k23 h ALA 232 Cb 0.99 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1k23 h ALA 232 CO 0.09 -0.83 0.03 0.93 0.00 0.00 0.00 179.25 179.46 1k23 h GLU 233 N -0.51 0.56 0.08 0.00 3.07 -1.94 -2.54 114.58 113.29 1k23 h GLU 233 Ca 0.03 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1k23 h GLU 233 Cb 0.53 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1k23 h GLU 233 CO -0.16 0.57 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.91 1k23 h LEU 234 N 0.54 -0.09 -1.33 1.33 -0.00 -1.01 -2.25 115.31 112.49 1k23 h LEU 234 Ca 0.12 -0.19 0.07 0.00 -0.00 0.00 0.00 57.88 57.88 1k23 h LEU 234 Cb 0.31 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 40.94 1k23 h LEU 234 CO 0.01 0.14 0.50 -0.33 -0.00 0.00 0.00 178.44 178.76 1k23 h GLU 235 N -0.32 0.77 0.70 1.13 5.08 -0.85 0.54 114.58 121.63 1k23 h GLU 235 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1k23 h GLU 235 Cb 0.28 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1k23 h GLU 235 CO 0.02 0.51 -0.41 0.00 -1.00 0.00 0.00 179.01 178.13 1k23 h ALA 236 N 1.59 -1.24 -0.91 3.43 0.00 -1.19 0.14 119.26 121.09 1k23 h ALA 236 Ca 0.33 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1k23 h ALA 236 Cb 0.28 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1k23 h ALA 236 CO -0.12 -1.19 0.60 0.28 0.00 0.00 0.00 179.25 178.83 1k23 h VAL 237 N -1.03 1.23 0.07 0.00 2.07 -1.17 -1.94 116.25 115.48 1k23 h VAL 237 Ca -0.10 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1k23 h VAL 237 Cb 0.82 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1k23 h VAL 237 CO 0.11 0.22 -0.03 0.40 0.02 0.00 0.00 177.57 178.30 1k23 h ILE 238 N 1.23 0.99 -0.78 4.57 2.04 -0.82 -1.79 117.51 122.96 1k23 h ILE 238 Ca 0.33 -0.19 0.13 0.00 1.00 0.00 0.00 64.86 66.13 1k23 h ILE 238 Cb -0.14 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1k23 h ILE 238 CO -0.07 0.05 0.51 0.28 0.00 0.00 0.00 178.15 178.92 1k23 h SER 239 N -0.18 0.49 0.27 1.72 0.02 -0.39 0.25 113.55 115.73 1k23 h SER 239 Ca -0.01 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1k23 h SER 239 Cb 0.15 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1k23 h SER 239 CO 0.02 0.27 -0.13 0.50 -1.14 0.00 0.00 176.83 176.34 1k23 h LYS 240 N 0.53 -0.35 -0.90 3.45 3.64 -0.82 -2.14 116.57 119.98 1k23 h LYS 240 Ca 0.38 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.84 1k23 h LYS 240 Cb 0.72 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 1k23 h LYS 240 CO -0.14 -0.12 0.59 0.28 -2.27 0.00 0.00 179.45 177.78 1k23 h VAL 241 N -0.52 1.09 -0.46 2.00 2.07 -0.41 -0.06 116.25 119.97 1k23 h VAL 241 Ca -0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1k23 h VAL 241 Cb 0.39 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1k23 h VAL 241 CO 0.06 0.19 0.17 0.58 0.02 0.00 0.00 177.57 178.60 1k23 h VAL 242 N 1.05 1.18 0.20 2.57 2.07 -0.85 -0.76 116.25 121.72 1k23 h VAL 242 Ca 0.38 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1k23 h VAL 242 Cb 0.14 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1k23 h VAL 242 CO -0.13 0.22 -0.10 0.00 0.02 0.00 0.00 177.57 177.58 1k23 h ALA 243 N 1.54 -0.27 -0.82 1.67 0.00 -0.47 -1.10 119.26 119.82 1k23 h ALA 243 Ca 0.16 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1k23 h ALA 243 Cb 0.15 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1k23 h ALA 243 CO -0.01 -0.31 0.53 0.93 0.00 0.00 0.00 179.25 180.39 1k23 h GLU 244 N -0.95 0.72 -0.21 0.00 5.08 -0.99 -2.42 114.58 115.81 1k23 h GLU 244 Ca -0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1k23 h GLU 244 Cb 0.47 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1k23 h GLU 244 CO 0.04 0.48 0.00 1.63 -1.00 0.00 0.00 179.01 180.16 1k23 n LYS 245 N -4.51 2.27 -3.89 2.33 5.02 -0.30 -4.97 118.16 114.11 1k23 n LYS 245 Ca 0.14 -2.04 -0.26 0.00 -2.02 0.00 0.00 58.31 54.13 1k23 n LYS 245 Cb 0.35 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.33 -1.16 -4.76 4.39 3.02 -0.76 -4.93 115.26 112.40 1k23 n ASN 246 Ca 0.16 -0.99 -0.40 0.00 -0.03 0.00 0.00 54.58 53.32 1k23 n ASN 246 Cb 0.57 -3.20 -0.05 0.00 -0.61 0.00 0.00 39.78 36.49 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 -6.87 4.53 0.29 3.41 1.43 -0.49 -4.81 118.68 116.17 1k23 s LEU 247 Ca 0.08 1.59 0.17 0.00 -1.03 0.00 0.00 54.13 54.94 1k23 s LEU 247 Cb -0.03 -3.31 0.09 0.00 0.03 0.00 0.00 46.19 42.98 1k23 s LEU 247 CO 0.88 0.11 1.41 0.44 0.23 0.00 0.00 176.35 179.41 1k23 h ASP 248 N 4.95 0.00 -3.69 2.29 3.32 -1.14 -3.44 116.42 118.71 1k23 h ASP 248 Ca -0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1k23 h ASP 248 Cb 1.21 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.54 1k23 h ASP 248 CO 0.68 0.40 0.05 -0.22 -1.72 0.00 0.00 179.24 178.43 1k23 s LEU 249 N -6.32 -0.67 -0.20 1.55 2.96 -1.20 0.93 118.68 115.73 1k23 s LEU 249 Ca 0.04 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 1k23 s LEU 249 Cb 0.07 2.31 0.05 0.00 0.50 0.00 0.00 46.19 49.12 1k23 s LEU 249 CO 0.74 -0.24 -0.07 0.12 -1.32 0.00 0.00 176.35 175.58 1k23 s PHE 250 N 0.74 2.18 -0.36 5.38 5.36 -0.10 -2.05 117.98 129.13 1k23 s PHE 250 Ca -0.03 -1.49 -0.09 0.00 -0.96 0.00 0.00 56.93 54.36 1k23 s PHE 250 Cb -0.05 -1.52 0.03 0.00 -0.34 0.00 0.00 43.02 41.14 1k23 s PHE 250 CO -0.05 -0.72 0.17 -1.17 -1.46 0.00 0.00 175.22 171.99 1k23 s LEU 251 N 1.47 4.55 -0.11 6.12 2.96 -0.07 -1.40 118.68 132.21 1k23 s LEU 251 Ca -0.02 -1.03 -0.21 0.00 -0.22 0.00 0.00 54.13 52.65 1k23 s LEU 251 Cb -0.17 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1k23 s LEU 251 CO -0.07 -0.36 0.59 -0.22 -1.32 0.00 0.00 176.35 174.97 1k23 s LEU 252 N 1.50 4.27 -0.40 -0.68 2.96 -0.35 -1.30 118.68 124.68 1k23 s LEU 252 Ca 0.01 0.97 -0.02 0.00 -0.22 0.00 0.00 54.13 54.87 1k23 s LEU 252 Cb -0.19 -2.88 0.11 0.00 0.50 0.00 0.00 46.19 43.72 1k23 s LEU 252 CO 0.05 -0.09 0.19 -0.69 -1.32 0.00 0.00 176.35 174.49 1k23 s VAL 253 N 0.87 3.18 -0.77 1.68 1.01 0.20 -1.11 120.40 125.46 1k23 s VAL 253 Ca 0.31 -2.10 -0.21 0.00 0.00 0.00 0.00 61.98 59.99 1k23 s VAL 253 Cb -0.16 -3.19 0.10 0.00 0.00 0.00 0.00 36.38 33.12 1k23 s VAL 253 CO 0.14 -0.68 1.02 -0.63 0.00 0.00 0.00 175.10 174.95 1k23 s ILE 254 N 1.11 4.51 -0.03 2.22 1.01 0.12 -2.03 121.20 128.11 1k23 s ILE 254 Ca 0.09 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.57 1k23 s ILE 254 Cb -0.22 -4.72 -0.04 0.00 0.01 0.00 0.00 42.46 37.49 1k23 s ILE 254 CO -0.05 -1.47 0.75 -0.89 0.00 0.00 0.00 174.94 173.29 1k23 s THR 255 N 3.42 4.95 -0.53 2.92 2.01 -0.49 -0.41 115.64 127.51 1k23 s THR 255 Ca 0.26 1.57 -0.19 0.00 0.31 0.00 0.00 61.69 63.64 1k23 s THR 255 Cb -0.12 -4.10 0.07 0.00 0.01 0.00 0.00 72.50 68.36 1k23 s THR 255 CO 0.01 0.27 0.66 -0.62 -0.69 0.00 0.00 174.62 174.24 1k23 s ASP 256 N 0.62 6.21 0.12 3.53 -1.08 0.14 -1.23 116.67 124.98 1k23 s ASP 256 Ca 0.40 -1.05 0.18 0.00 -0.52 0.00 0.00 52.55 51.56 1k23 s ASP 256 Cb -0.19 -2.30 0.75 0.00 -1.46 0.00 0.00 42.92 39.72 1k23 s ASP 256 CO 0.21 -0.96 1.54 2.30 0.52 0.00 0.00 175.17 178.78 1k23 n ILE 257 N 5.61 0.99 -0.05 4.11 -5.35 -0.72 -0.83 119.36 123.11 1k23 n ILE 257 Ca -0.07 0.28 -0.18 0.00 -0.27 0.00 0.00 62.75 62.50 1k23 n ILE 257 Cb 0.45 -1.12 -0.13 0.00 -1.74 0.00 0.00 39.64 37.09 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 0.12 -1.41 7.28 3.38 -1.88 -3.37 115.31 119.42 1k23 h LEU 258 Ca 0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.14 1k23 h LEU 258 Cb 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1k23 h LEU 258 CO 0.00 1.29 0.00 -0.62 0.09 0.00 0.00 178.44 179.20 1k23 n GLU 259 N -4.39 1.97 -2.58 1.13 -0.58 -1.17 -4.87 120.64 110.15 1k23 n GLU 259 Ca -0.19 -1.41 -0.15 0.00 -0.42 0.00 0.00 57.16 54.99 1k23 n GLU 259 Cb 0.65 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 30.05 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 0.71 -4.15 -4.34 1.62 3.02 -0.01 -4.86 115.26 107.25 1k23 n ASN 260 Ca 0.17 0.08 -0.27 0.00 -0.03 0.00 0.00 54.58 54.54 1k23 n ASN 260 Cb 0.46 -3.50 -0.13 0.00 -0.61 0.00 0.00 39.78 36.01 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 -2.15 2.95 -0.04 6.41 1.01 -1.22 -2.94 116.67 120.69 1k23 s ASP 261 Ca 0.06 -0.72 0.01 0.00 0.71 0.00 0.00 52.55 52.61 1k23 s ASP 261 Cb -0.03 -0.18 0.02 0.00 1.01 0.00 0.00 42.92 43.74 1k23 s ASP 261 CO 0.08 0.12 -0.04 -0.94 0.21 0.00 0.00 175.17 174.60 1k23 s SER 262 N -2.00 0.83 0.19 0.27 1.04 -0.75 -0.68 113.70 112.60 1k23 s SER 262 Ca 0.11 -0.11 -0.29 0.00 0.48 0.00 0.00 55.95 56.13 1k23 s SER 262 Cb -0.10 -0.40 -0.08 0.00 0.10 0.00 0.00 66.02 65.54 1k23 s SER 262 CO 0.05 -0.06 0.93 -0.22 0.98 0.00 0.00 173.24 174.92 1k23 s LEU 263 N 0.90 4.60 -0.01 2.42 0.20 0.45 -0.83 118.68 126.41 1k23 s LEU 263 Ca -0.11 1.87 0.02 0.00 0.69 0.00 0.00 54.13 56.60 1k23 s LEU 263 Cb -0.14 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.02 1k23 s LEU 263 CO -0.00 0.10 -0.05 0.00 -0.29 0.00 0.00 176.35 176.11 1k23 s ALA 264 N -0.84 3.07 -0.36 5.97 0.00 -0.32 0.12 121.76 129.40 1k23 s ALA 264 Ca 0.42 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1k23 s ALA 264 Cb -0.25 -1.19 0.11 0.00 0.00 0.00 0.00 23.12 21.79 1k23 s ALA 264 CO 0.31 0.61 0.14 -1.17 0.00 0.00 0.00 175.76 175.65 1k23 s LEU 265 N -1.36 2.92 -0.21 0.00 2.96 -0.27 -2.38 118.68 120.34 1k23 s LEU 265 Ca 0.17 -2.07 -0.10 0.00 -0.22 0.00 0.00 54.13 51.91 1k23 s LEU 265 Cb -0.11 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.44 1k23 s LEU 265 CO 0.07 -0.36 0.13 0.00 -1.32 0.00 0.00 176.35 174.87 1k23 s ALA 266 N 1.05 3.62 -0.15 5.97 0.00 -0.84 -1.21 121.76 130.20 1k23 s ALA 266 Ca 0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1k23 s ALA 266 Cb -0.20 -2.17 0.04 0.00 0.00 0.00 0.00 23.12 20.78 1k23 s ALA 266 CO -0.14 0.05 -0.06 0.42 0.00 0.00 0.00 175.76 176.04 1k23 s ILE 267 N 0.57 1.06 -5.00 0.00 -1.09 -0.49 -4.80 121.20 111.45 1k23 s ILE 267 Ca 0.07 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 1k23 s ILE 267 Cb -0.12 -1.19 0.00 0.00 -1.58 0.00 0.00 42.46 39.57 1k23 s ILE 267 CO 0.00 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 1k23 n GLY 268 N 4.90 -0.99 0.13 6.18 0.00 -1.26 -0.93 105.19 113.23 1k23 n GLY 268 Ca -0.12 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 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 0.58 -0.33 1.61 -0.26 0.26 -3.30 115.58 114.14 1k23 h ASN 269 Ca 0.00 -0.91 -0.09 0.00 -0.56 0.00 0.00 56.30 54.73 1k23 h ASN 269 Cb 0.00 -0.19 -0.05 0.00 -1.06 0.00 0.00 38.32 37.02 1k23 h ASN 269 CO 0.00 1.66 0.12 -0.62 -1.06 0.00 0.00 177.43 177.53 1k23 n GLU 270 N -3.81 2.25 0.00 0.81 -0.58 -0.86 -4.25 120.64 114.20 1k23 n GLU 270 Ca -0.21 -1.36 0.05 0.00 -0.42 0.00 0.00 57.16 55.22 1k23 n GLU 270 Cb 0.99 -1.71 0.23 0.00 -0.57 0.00 0.00 31.44 30.38 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 0.07 1.55 0.22 0.62 0.00 -1.25 -0.52 120.51 121.22 1k23 n ALA 271 Ca 0.18 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1k23 n ALA 271 Cb 0.81 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 19.16 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 2.41 0.57 0.00 0.00 0.00 -1.89 -3.29 119.26 117.06 1k23 h ALA 272 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1k23 h ALA 272 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1k23 h ALA 272 CO 0.00 0.00 -0.08 0.87 0.00 0.00 0.00 179.25 180.04 1k23 h LYS 273 N 0.00 0.00 0.00 0.00 6.56 -1.14 -1.96 116.57 120.03 1k23 h LYS 273 Ca 0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 1k23 h LYS 273 Cb 0.94 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.58 1k23 h LYS 273 CO 0.00 0.08 -0.84 0.28 -2.06 0.00 0.00 179.45 176.91 1k23 h VAL 274 N 0.00 1.53 0.00 0.50 2.07 -1.66 -1.70 116.25 116.99 1k23 h VAL 274 Ca -0.00 -2.67 -0.11 0.00 0.82 0.00 0.00 66.70 64.74 1k23 h VAL 274 Cb 0.60 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1k23 h VAL 274 CO 0.01 0.77 -0.52 -0.33 0.02 0.00 0.00 177.57 177.52 1k23 h GLU 275 N 0.06 0.00 0.00 1.57 5.08 -1.52 -2.81 114.58 116.96 1k23 h GLU 275 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1k23 h GLU 275 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1k23 h GLU 275 CO 0.12 0.52 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.40 1k23 h LYS 276 N 0.00 0.00 -0.23 2.33 3.64 -1.34 -1.45 116.57 119.52 1k23 h LYS 276 Ca -0.01 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1k23 h LYS 276 Cb 1.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1k23 h LYS 276 CO 0.07 0.00 0.24 0.00 -2.27 0.00 0.00 179.45 177.49 1k23 h ALA 277 N -1.07 1.89 -0.01 5.00 0.00 -1.42 -2.12 119.26 121.53 1k23 h ALA 277 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k23 h ALA 277 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1k23 h ALA 277 CO 0.00 -0.36 -0.06 1.19 0.00 0.00 0.00 179.25 180.02 1k23 n PHE 278 N -3.83 0.00 -3.25 0.00 3.01 -1.06 -4.86 117.46 107.47 1k23 n PHE 278 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.40 1k23 n PHE 278 Cb 0.37 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.86 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 0.06 -6.98 -3.64 4.37 2.85 -0.80 -5.01 115.26 106.11 1k23 n ASN 279 Ca 0.03 -0.40 -0.14 0.00 -0.11 0.00 0.00 54.58 53.97 1k23 n ASN 279 Cb 0.16 -4.66 -0.07 0.00 1.24 0.00 0.00 39.78 36.45 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 -3.12 0.00 -0.25 3.44 -7.23 -0.60 -5.04 120.40 107.61 1k23 s VAL 280 Ca 0.14 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1k23 s VAL 280 Cb -0.03 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.47 1k23 s VAL 280 CO 0.78 0.00 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.61 1k23 s THR 281 N -3.59 1.76 -0.04 5.32 2.01 -1.26 -4.57 115.64 115.28 1k23 s THR 281 Ca 0.34 -1.40 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 1k23 s THR 281 Cb 0.02 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1k23 s THR 281 CO 0.18 -0.10 1.38 -0.76 -0.69 0.00 0.00 174.62 174.63 1k23 s LEU 282 N 1.28 4.29 -0.43 4.42 1.43 -1.26 -4.73 118.68 123.69 1k23 s LEU 282 Ca -0.06 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.08 1k23 s LEU 282 Cb -0.19 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.60 1k23 s LEU 282 CO -0.06 -0.72 0.20 -1.61 0.23 0.00 0.00 176.35 174.39 1k23 s GLU 283 N 2.68 1.36 0.00 1.70 2.02 -1.19 -4.58 118.70 120.69 1k23 s GLU 283 Ca 0.62 -1.97 0.00 0.00 0.02 0.00 0.00 54.97 53.64 1k23 s GLU 283 Cb -0.29 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1k23 s GLU 283 CO 0.24 -1.10 0.00 -1.71 0.02 0.00 0.00 175.26 172.71 1k23 n ASN 284 N 3.73 -0.73 0.00 -0.19 5.15 -1.26 -3.84 115.26 118.12 1k23 n ASN 284 Ca 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1k23 n ASN 284 Cb 0.36 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 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 0.71 -3.56 -4.14 1.20 4.13 -1.26 -4.98 115.26 107.35 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 0.08 -1.70 -0.15 0.00 -1.54 0.00 0.00 39.78 36.47 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 -1.76 2.35 -0.02 3.41 2.01 -1.25 -1.98 115.64 118.40 1k23 s THR 286 Ca 0.00 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 60.90 1k23 s THR 286 Cb 0.00 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1k23 s THR 286 CO 0.00 0.31 -0.07 0.00 -0.69 0.00 0.00 174.62 174.17 1k23 s ALA 287 N 1.26 0.67 -0.32 7.40 0.00 -1.00 -3.20 121.76 126.56 1k23 s ALA 287 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 1k23 s ALA 287 Cb -0.16 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1k23 s ALA 287 CO -0.08 0.10 1.18 -1.17 0.00 0.00 0.00 175.76 175.79 1k23 s LEU 288 N 0.24 3.89 -0.59 0.00 2.96 -1.26 -1.18 118.68 122.74 1k23 s LEU 288 Ca -0.03 1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.76 1k23 s LEU 288 Cb -0.08 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.15 1k23 s LEU 288 CO 0.00 -1.00 0.76 -0.76 -1.32 0.00 0.00 176.35 174.04 1k23 s LEU 289 N 4.03 4.99 0.22 -0.68 1.43 -0.01 -4.96 118.68 123.70 1k23 s LEU 289 Ca 0.51 -1.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 1k23 s LEU 289 Cb -0.14 -2.39 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 1k23 s LEU 289 CO 0.20 -1.16 1.21 -0.54 0.23 0.00 0.00 176.35 176.29 1k23 s LYS 290 N 3.08 4.49 0.00 1.70 1.02 -1.26 -1.81 119.74 126.95 1k23 s LYS 290 Ca 0.16 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.08 1k23 s LYS 290 Cb -0.21 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1k23 s LYS 290 CO 0.09 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 1k23 n GLY 291 N 1.87 2.21 3.67 -3.33 0.00 -1.15 -4.93 105.19 103.52 1k23 n GLY 291 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.57 4.58 0.00 1.61 1.01 -1.22 -4.84 120.40 118.97 1k23 s VAL 292 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.87 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 -0.11 0.00 0.52 0.00 0.00 0.00 175.10 175.51 1k23 n VAL 293 N 5.06 0.00 -5.02 2.92 0.31 -1.26 -3.28 118.33 117.05 1k23 n VAL 293 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.16 1k23 n VAL 293 Cb 0.46 0.12 -0.16 0.00 -0.91 0.00 0.00 33.84 33.35 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 -0.77 2.60 0.11 4.52 0.15 -1.26 -5.02 113.70 114.04 1k23 s SER 294 Ca 0.00 -0.44 0.21 0.00 0.70 0.00 0.00 55.95 56.41 1k23 s SER 294 Cb 0.00 -0.90 -0.10 0.00 -1.71 0.00 0.00 66.02 63.31 1k23 s SER 294 CO 0.00 0.17 0.86 -2.11 1.20 0.00 0.00 173.24 173.36 1k23 n ARG 295 N 3.27 0.62 0.06 5.44 1.85 -1.26 -1.58 116.66 125.06 1k23 n ARG 295 Ca -0.19 0.09 -0.12 0.00 -1.00 0.00 0.00 57.85 56.64 1k23 n ARG 295 Cb 0.52 -1.76 -0.02 0.00 -1.05 0.00 0.00 32.46 30.16 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 0.41 0.00 2.89 1.79 -1.95 0.70 116.57 120.40 1k23 h LYS 296 Ca -0.06 -0.40 -0.19 0.00 -2.18 0.00 0.00 60.65 57.82 1k23 h LYS 296 Cb 1.20 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.91 1k23 h LYS 296 CO 0.01 1.05 -2.08 1.63 -1.08 0.00 0.00 179.45 178.98 1k23 n LYS 297 N -3.78 0.86 -0.01 3.15 5.02 -1.26 -4.51 118.16 117.63 1k23 n LYS 297 Ca -0.06 -0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.15 1k23 n LYS 297 Cb 0.78 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 34.31 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 -2.45 2.63 -0.09 1.97 6.02 -0.61 -4.76 117.38 120.09 1k23 n GLN 298 Ca -0.18 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.67 1k23 n GLN 298 Cb 0.83 -1.07 -0.05 0.00 1.02 0.00 0.00 30.24 30.98 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 -1.96 1.48 -0.22 5.09 0.31 -1.05 -4.29 118.33 117.69 1k23 n VAL 299 Ca -0.03 0.06 -0.02 0.00 -0.01 0.00 0.00 64.34 64.34 1k23 n VAL 299 Cb 0.45 -2.24 0.09 0.00 -0.91 0.00 0.00 33.84 31.22 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 -1.00 0.98 -0.17 2.52 2.07 0.15 -2.40 116.25 118.40 1k23 h VAL 300 Ca -0.17 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 1k23 h VAL 300 Cb 0.97 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1k23 h VAL 300 CO -0.10 0.12 -0.43 1.55 0.02 0.00 0.00 177.57 178.73 1k23 h PRO 301 N 0.67 0.41 0.00 1.57 0.13 -1.79 -2.08 132.00 130.91 1k23 h PRO 301 Ca 0.29 -0.21 -0.10 0.00 -0.87 0.00 0.00 66.00 65.10 1k23 h PRO 301 Cb 0.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1k23 h PRO 301 CO -0.17 0.77 -0.50 -0.24 -0.23 0.00 0.00 178.00 177.63 1k23 h VAL 302 N 0.34 0.92 0.00 1.56 3.04 -1.72 -3.05 116.25 117.34 1k23 h VAL 302 Ca 0.03 -2.09 -0.21 0.00 -1.01 0.00 0.00 66.70 63.42 1k23 h VAL 302 Cb 0.89 2.30 -0.04 0.00 -2.01 0.00 0.00 31.29 32.44 1k23 h VAL 302 CO 0.07 0.49 -1.40 0.25 -1.01 0.00 0.00 177.57 175.97 1k23 h LEU 303 N 0.00 0.00 -0.60 3.16 6.46 -1.43 -3.20 115.31 119.71 1k23 h LEU 303 Ca -0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.62 1k23 h LEU 303 Cb 1.26 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1k23 h LEU 303 CO 0.06 0.77 -0.37 0.74 -0.62 0.00 0.00 178.44 179.02 1k23 h THR 304 N 0.00 1.29 -0.06 1.05 2.02 -1.41 -2.42 112.91 113.37 1k23 h THR 304 Ca -0.18 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.47 1k23 h THR 304 Cb 1.74 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 1k23 h THR 304 CO 0.07 0.50 0.00 -0.67 0.37 0.00 0.00 175.52 175.78 1k23 n ASP 305 N -4.05 0.89 -0.88 4.18 -0.08 -1.15 -4.85 116.55 110.61 1k23 n ASP 305 Ca -0.02 -1.48 0.11 0.00 -1.51 0.00 0.00 54.79 51.89 1k23 n ASP 305 Cb 0.51 -0.04 0.09 0.00 2.34 0.00 0.00 41.12 44.03 1k23 n ASP 305 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32