#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2m s GLY 5 N 0.00 -0.44 0.06 0.23 0.00 -1.26 -5.17 107.32 100.74 1l2m s GLY 5 Ca 0.00 1.55 0.07 0.00 0.00 0.00 0.00 44.72 46.34 1l2m s GLY 5 CO 0.00 0.90 -0.19 0.50 0.00 0.00 0.00 173.10 174.31 1l2m s ARG 6 N -1.44 1.15 -0.64 2.90 0.52 -1.26 -5.09 118.95 115.09 1l2m s ARG 6 Ca -0.05 -0.98 -0.27 0.00 -0.52 0.00 0.00 55.73 53.91 1l2m s ARG 6 Cb -0.00 -1.28 0.01 0.00 0.52 0.00 0.00 34.95 34.20 1l2m s ARG 6 CO 0.04 0.31 1.43 0.12 0.02 0.00 0.00 175.30 177.21 1l2m s PHE 7 N -0.98 2.20 -0.11 -0.53 5.36 -1.26 -4.96 117.98 117.70 1l2m s PHE 7 Ca 0.05 0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 56.33 1l2m s PHE 7 Cb -0.09 -4.44 0.03 0.00 -0.34 0.00 0.00 43.02 38.18 1l2m s PHE 7 CO 0.03 -2.05 -0.03 -1.54 -1.46 0.00 0.00 175.22 170.17 1l2m s SER 8 N 4.69 2.08 -0.15 6.13 1.04 -1.26 -4.29 113.70 121.94 1l2m s SER 8 Ca 0.48 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.55 1l2m s SER 8 Cb -0.10 -0.64 -0.03 0.00 0.10 0.00 0.00 66.02 65.34 1l2m s SER 8 CO 0.20 -0.18 0.02 -0.63 0.98 0.00 0.00 173.24 173.63 1l2m s ILE 9 N 1.83 4.41 -0.18 -1.02 1.01 -1.11 -4.90 121.20 121.25 1l2m s ILE 9 Ca 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 1l2m s ILE 9 Cb -0.13 -2.93 0.06 0.00 0.01 0.00 0.00 42.46 39.46 1l2m s ILE 9 CO -0.07 0.52 0.04 -0.54 0.00 0.00 0.00 174.94 174.89 1l2m s LYS 10 N -0.01 0.57 0.15 2.79 1.02 -1.26 0.80 119.74 123.80 1l2m s LYS 10 Ca 0.04 -0.31 -0.24 0.00 0.02 0.00 0.00 55.97 55.48 1l2m s LYS 10 Cb -0.13 -1.93 0.06 0.00 -0.52 0.00 0.00 37.83 35.31 1l2m s LYS 10 CO 0.02 -0.60 0.73 0.00 -0.92 0.00 0.00 175.35 174.58 1l2m s ALA 11 N 1.91 -1.56 0.04 5.17 0.00 -0.95 -4.97 121.76 121.40 1l2m s ALA 11 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 1l2m s ALA 11 Cb -0.16 0.75 -0.27 0.00 0.00 0.00 0.00 23.12 23.44 1l2m s ALA 11 CO -0.08 -0.85 0.98 -0.22 0.00 0.00 0.00 175.76 175.59 1l2m h LYS 12 N 2.00 0.21 -6.54 0.00 3.64 -1.83 0.20 116.57 114.24 1l2m h LYS 12 Ca -0.27 -0.35 -0.68 0.00 -1.27 0.00 0.00 60.65 58.08 1l2m h LYS 12 Cb 1.27 0.13 -0.19 0.00 -0.41 0.00 0.00 32.23 33.03 1l2m h LYS 12 CO 0.31 1.09 -0.77 -0.80 -2.27 0.00 0.00 179.45 177.01 1l2m s ASN 13 N -6.93 4.08 0.02 4.20 0.01 -1.24 -0.31 114.94 114.76 1l2m s ASN 13 Ca -0.06 -0.39 0.03 0.00 -0.71 0.00 0.00 52.86 51.73 1l2m s ASN 13 Cb 0.07 -0.73 -0.02 0.00 0.41 0.00 0.00 41.25 40.99 1l2m s ASN 13 CO 0.86 0.23 -0.10 -0.31 -1.51 0.00 0.00 177.10 176.27 1l2m s TYR 14 N -1.03 0.88 -0.16 2.20 2.02 0.72 -0.17 117.35 121.80 1l2m s TYR 14 Ca 0.17 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1l2m s TYR 14 Cb -0.11 -0.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 1l2m s TYR 14 CO 0.08 -0.01 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.78 1l2m s PHE 15 N -0.70 2.69 -0.19 2.71 0.08 0.88 -1.23 117.98 122.22 1l2m s PHE 15 Ca -0.01 -1.47 -0.07 0.00 0.12 0.00 0.00 56.93 55.50 1l2m s PHE 15 Cb -0.06 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1l2m s PHE 15 CO 0.00 -0.70 0.05 -0.51 -0.10 0.00 0.00 175.22 173.97 1l2m s LEU 16 N 1.05 3.72 -0.14 -0.37 2.01 -0.79 -1.69 118.68 122.47 1l2m s LEU 16 Ca -0.01 0.03 0.02 0.00 0.01 0.00 0.00 54.13 54.18 1l2m s LEU 16 Cb -0.14 -1.94 0.02 0.00 0.01 0.00 0.00 46.19 44.13 1l2m s LEU 16 CO -0.07 0.15 -0.18 -0.89 1.01 0.00 0.00 176.35 176.37 1l2m s THR 17 N 0.49 1.76 -0.40 5.49 2.01 -1.00 -1.61 115.64 122.39 1l2m s THR 17 Ca 0.02 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 1l2m s THR 17 Cb -0.13 -1.60 0.10 0.00 0.01 0.00 0.00 72.50 70.88 1l2m s THR 17 CO 0.01 0.49 0.19 -0.31 -0.69 0.00 0.00 174.62 174.31 1l2m s TYR 18 N 1.09 3.53 0.23 4.92 1.51 -0.81 -1.21 117.35 126.61 1l2m s TYR 18 Ca -0.02 -2.28 -0.30 0.00 -1.01 0.00 0.00 57.07 53.46 1l2m s TYR 18 Cb -0.14 -3.09 -0.09 0.00 -0.11 0.00 0.00 41.96 38.53 1l2m s TYR 18 CO -0.05 -0.95 1.10 -1.25 -1.11 0.00 0.00 175.55 173.29 1l2m s PRO 19 N 1.18 4.62 -1.70 -1.71 0.04 -1.26 -2.32 135.00 133.85 1l2m s PRO 19 Ca 0.06 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.70 1l2m s PRO 19 Cb -0.23 -3.23 0.16 0.00 0.04 0.00 0.00 34.50 31.24 1l2m s PRO 19 CO -0.03 0.15 0.40 1.17 0.04 0.00 0.00 177.00 178.73 1l2m n LYS 20 N 1.79 -0.79 -3.75 4.56 4.81 -0.83 -4.86 118.16 119.08 1l2m n LYS 20 Ca 0.01 0.12 -0.36 0.00 -0.87 0.00 0.00 58.31 57.20 1l2m n LYS 20 Cb 0.45 -4.17 -0.11 0.00 0.02 0.00 0.00 35.03 31.22 1l2m n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1l2m n ASP 22 N 4.48 1.83 -4.75 0.00 8.00 -1.26 -4.60 116.55 120.25 1l2m n ASP 22 Ca -0.15 -2.12 -0.41 0.00 0.71 0.00 0.00 54.79 52.82 1l2m n ASP 22 Cb 0.52 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1l2m n ASP 22 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1l2m s LEU 23 N -0.98 4.46 0.52 0.64 2.96 -1.26 -5.02 118.68 120.00 1l2m s LEU 23 Ca 0.18 2.38 -0.05 0.00 -0.22 0.00 0.00 54.13 56.42 1l2m s LEU 23 Cb 0.11 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 1l2m s LEU 23 CO 0.09 -0.39 0.81 0.42 -1.32 0.00 0.00 176.35 175.96 1l2m s THR 24 N -0.50 4.42 0.28 3.68 -4.23 -1.26 -4.96 115.64 113.07 1l2m s THR 24 Ca 0.51 0.08 0.14 0.00 -1.18 0.00 0.00 61.69 61.23 1l2m s THR 24 Cb -0.35 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 69.85 1l2m s THR 24 CO 0.42 -0.68 1.72 0.07 -0.54 0.00 0.00 174.62 175.60 1l2m h LYS 25 N 0.10 0.00 -0.14 3.99 2.10 -1.97 -1.21 116.57 119.44 1l2m h LYS 25 Ca -0.46 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 1l2m h LYS 25 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 1l2m h LYS 25 CO 0.61 0.47 -0.00 1.49 -2.00 0.00 0.00 179.45 180.02 1l2m h GLU 26 N 0.00 0.25 -0.36 0.07 4.81 -1.97 1.48 114.58 118.86 1l2m h GLU 26 Ca -0.00 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1l2m h GLU 26 Cb 0.89 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1l2m h GLU 26 CO 0.06 0.48 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.91 1l2m h ASN 27 N -0.01 0.63 0.19 1.04 -0.26 -1.93 0.33 115.58 115.58 1l2m h ASN 27 Ca 0.04 -0.31 -0.11 0.00 -0.56 0.00 0.00 56.30 55.36 1l2m h ASN 27 Cb 0.37 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1l2m h ASN 27 CO 0.01 0.79 -0.42 0.00 -1.06 0.00 0.00 177.43 176.75 1l2m h ALA 28 N 0.86 1.06 -0.22 -0.83 0.00 -1.15 0.28 119.26 119.26 1l2m h ALA 28 Ca 0.10 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1l2m h ALA 28 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1l2m h ALA 28 CO 0.02 0.60 -0.19 1.25 0.00 0.00 0.00 179.25 180.94 1l2m h LEU 29 N 0.24 0.54 -0.27 0.00 7.12 0.24 0.67 115.31 123.86 1l2m h LEU 29 Ca 0.02 -0.46 -0.07 0.00 0.13 0.00 0.00 57.88 57.50 1l2m h LEU 29 Cb 0.84 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.81 1l2m h LEU 29 CO 0.07 0.89 -0.11 -1.28 -0.13 0.00 0.00 178.44 177.88 1l2m h SER 30 N 0.20 0.56 -0.03 1.25 0.87 -0.16 0.57 113.55 116.81 1l2m h SER 30 Ca 0.04 -0.39 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1l2m h SER 30 Cb 0.72 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1l2m h SER 30 CO 0.05 0.83 -0.00 1.56 -0.53 0.00 0.00 176.83 178.73 1l2m h GLN 31 N 0.29 0.05 -0.32 2.24 4.20 -0.43 0.42 115.11 121.55 1l2m h GLN 31 Ca 0.06 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1l2m h GLN 31 Cb 0.61 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1l2m h GLN 31 CO 0.03 0.35 0.14 0.82 -0.67 0.00 0.00 178.83 179.51 1l2m h ILE 32 N -0.25 1.17 -0.15 2.54 1.08 0.35 0.79 117.51 123.04 1l2m h ILE 32 Ca 0.01 -0.50 -0.05 0.00 -0.39 0.00 0.00 64.86 63.93 1l2m h ILE 32 Cb 0.33 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1l2m h ILE 32 CO 0.00 0.18 -0.12 0.74 -0.69 0.00 0.00 178.15 178.26 1l2m h THR 33 N 0.38 1.17 0.00 -0.27 2.02 0.21 -0.62 112.91 115.80 1l2m h THR 33 Ca 0.11 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1l2m h THR 33 Cb 0.15 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1l2m h THR 33 CO -0.01 0.23 -0.37 0.59 0.37 0.00 0.00 175.52 176.33 1l2m n ASN 34 N -4.29 0.57 -4.65 4.18 5.03 0.15 -4.80 115.26 111.45 1l2m n ASN 34 Ca -0.01 0.19 -0.43 0.00 0.87 0.00 0.00 54.58 55.21 1l2m n ASN 34 Cb 0.26 -0.12 -0.02 0.00 -1.02 0.00 0.00 39.78 38.87 1l2m n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1l2m s LEU 35 N -3.82 4.14 0.69 3.41 1.02 0.27 -4.99 118.68 119.38 1l2m s LEU 35 Ca 0.09 1.79 -0.11 0.00 0.02 0.00 0.00 54.13 55.93 1l2m s LEU 35 Cb 0.15 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.83 1l2m s LEU 35 CO 0.66 -0.94 1.07 -1.10 0.02 0.00 0.00 176.35 176.05 1l2m s GLN 36 N 3.97 3.02 0.08 1.70 -0.21 -1.26 -4.96 119.66 122.00 1l2m s GLN 36 Ca 0.64 0.67 -0.10 0.00 0.02 0.00 0.00 55.36 56.59 1l2m s GLN 36 Cb -0.25 -2.02 0.01 0.00 1.00 0.00 0.00 33.01 31.74 1l2m s GLN 36 CO 0.23 -0.97 0.22 -0.08 -2.12 0.00 0.00 175.29 172.58 1l2m s THR 37 N -3.22 0.12 -1.50 -0.19 -1.32 -1.26 -5.02 115.64 103.25 1l2m s THR 37 Ca 0.57 -1.01 0.23 0.00 -1.21 0.00 0.00 61.69 60.27 1l2m s THR 37 Cb -0.12 -1.20 0.43 0.00 -1.51 0.00 0.00 72.50 70.11 1l2m s THR 37 CO 0.53 -0.56 1.75 -0.81 -2.21 0.00 0.00 174.62 173.33 1l2m n PRO 38 N 0.14 0.38 0.00 7.08 -0.04 -1.26 -4.60 135.00 136.69 1l2m n PRO 38 Ca -0.16 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1l2m n PRO 38 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1l2m n PRO 38 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1l2m n THR 39 N -1.25 0.00 -3.64 0.52 5.66 -1.26 -5.11 114.28 109.20 1l2m n THR 39 Ca 0.12 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.06 1l2m n THR 39 Cb 0.17 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.88 1l2m n THR 39 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1l2m s ASN 40 N 0.58 -0.34 -0.11 1.09 2.47 -1.26 -5.00 114.94 112.38 1l2m s ASN 40 Ca 0.00 0.62 -0.21 0.00 0.42 0.00 0.00 52.86 53.69 1l2m s ASN 40 Cb 0.00 0.75 -0.04 0.00 -1.45 0.00 0.00 41.25 40.51 1l2m s ASN 40 CO 0.00 -0.10 0.60 -0.54 -3.72 0.00 0.00 177.10 173.33 1l2m s LYS 41 N 0.42 4.36 0.00 0.43 1.02 -1.26 -1.44 119.74 123.27 1l2m s LYS 41 Ca 0.01 0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.67 1l2m s LYS 41 Cb -0.05 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1l2m s LYS 41 CO -0.10 0.06 0.00 1.28 -0.92 0.00 0.00 175.35 175.66 1l2m n LEU 42 N 3.92 0.00 -4.86 3.17 4.32 -0.77 -4.89 117.00 117.89 1l2m n LEU 42 Ca -0.04 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.68 1l2m n LEU 42 Cb 0.51 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.27 1l2m n LEU 42 CO 0.45 0.00 -0.17 0.12 -1.22 0.00 0.00 177.39 176.57 1l2m s PHE 43 N 0.00 3.32 -0.11 -1.77 5.36 -1.18 -3.49 117.98 120.10 1l2m s PHE 43 Ca 0.00 0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 1l2m s PHE 43 Cb 0.00 -1.61 0.05 0.00 -0.34 0.00 0.00 43.02 41.13 1l2m s PHE 43 CO 0.00 0.53 0.14 0.42 -1.46 0.00 0.00 175.22 174.85 1l2m s ILE 44 N -1.68 -0.21 -0.17 3.12 1.01 0.14 -2.33 121.20 121.09 1l2m s ILE 44 Ca 0.32 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.15 1l2m s ILE 44 Cb -0.11 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 1l2m s ILE 44 CO 0.26 0.01 -0.12 -0.75 0.00 0.00 0.00 174.94 174.34 1l2m s LYS 45 N 2.25 3.31 -0.19 2.79 2.47 0.61 -1.42 119.74 129.56 1l2m s LYS 45 Ca 0.04 -0.70 0.01 0.00 -1.56 0.00 0.00 55.97 53.76 1l2m s LYS 45 Cb -0.13 -2.73 0.04 0.00 -1.46 0.00 0.00 37.83 33.54 1l2m s LYS 45 CO -0.07 0.01 -0.12 0.42 0.16 0.00 0.00 175.35 175.75 1l2m s ILE 46 N 0.86 1.70 -0.02 5.43 1.01 -0.97 0.17 121.20 129.37 1l2m s ILE 46 Ca -0.03 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.71 1l2m s ILE 46 Cb -0.15 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1l2m s ILE 46 CO -0.00 0.25 -0.18 0.00 0.00 0.00 0.00 174.94 175.02 1l2m s ARG 48 N -0.25 3.62 -0.07 0.00 3.52 -1.26 -0.52 118.95 123.98 1l2m s ARG 48 Ca 0.03 0.00 -0.05 0.00 -0.13 0.00 0.00 55.73 55.59 1l2m s ARG 48 Cb -0.09 -3.10 0.03 0.00 -1.56 0.00 0.00 34.95 30.24 1l2m s ARG 48 CO 0.00 0.66 0.17 -2.00 -0.81 0.00 0.00 175.30 173.32 1l2m s GLU 49 N -1.63 0.16 -0.13 5.12 2.56 -0.76 -4.91 118.70 119.11 1l2m s GLU 49 Ca 0.26 0.32 -0.10 0.00 0.00 0.00 0.00 54.97 55.45 1l2m s GLU 49 Cb -0.13 -0.04 -0.05 0.00 2.00 0.00 0.00 34.13 35.91 1l2m s GLU 49 CO 0.15 -0.10 0.21 -0.51 -0.56 0.00 0.00 175.26 174.45 1l2m s LEU 50 N 0.66 4.32 0.47 2.70 2.01 -1.26 -0.15 118.68 127.43 1l2m s LEU 50 Ca -0.05 0.49 -0.14 0.00 0.01 0.00 0.00 54.13 54.44 1l2m s LEU 50 Cb -0.06 -2.22 -0.07 0.00 0.01 0.00 0.00 46.19 43.85 1l2m s LEU 50 CO -0.03 0.26 0.89 -1.00 1.01 0.00 0.00 176.35 177.48 1l2m s HIS 51 N -0.32 3.46 -1.31 0.29 3.76 0.06 -4.87 115.29 116.37 1l2m s HIS 51 Ca 0.15 1.27 0.21 0.00 -0.15 0.00 0.00 55.06 56.54 1l2m s HIS 51 Cb -0.13 -2.63 1.03 0.00 1.11 0.00 0.00 32.58 31.96 1l2m s HIS 51 CO 0.04 -0.26 1.68 -1.91 -0.85 0.00 0.00 174.74 173.44 1l2m n GLU 52 N -1.48 0.22 -0.00 1.40 2.13 -1.26 -1.97 120.64 119.68 1l2m n GLU 52 Ca 0.05 0.10 0.15 0.00 0.66 0.00 0.00 57.16 58.11 1l2m n GLU 52 Cb 0.54 -1.50 0.69 0.00 0.27 0.00 0.00 31.44 31.44 1l2m n GLU 52 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1l2m n ASN 53 N -1.34 0.91 0.00 4.31 4.13 -1.26 -4.87 115.26 117.14 1l2m n ASN 53 Ca 0.09 -1.31 0.00 0.00 1.68 0.00 0.00 54.58 55.04 1l2m n ASN 53 Cb 0.19 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 1l2m n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1l2m n GLY 54 N 1.10 0.77 3.80 7.41 0.00 -0.83 -5.03 105.19 112.41 1l2m n GLY 54 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1l2m n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l2m s GLU 55 N -0.29 3.92 -0.08 1.61 -1.05 -1.25 -4.92 118.70 116.64 1l2m s GLU 55 Ca 0.00 0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.63 1l2m s GLU 55 Cb 0.00 -3.30 -0.03 0.00 -0.44 0.00 0.00 34.13 30.36 1l2m s GLU 55 CO 0.00 0.53 1.24 -1.25 0.95 0.00 0.00 175.26 176.73 1l2m s PRO 56 N -0.42 4.31 0.18 -4.83 0.04 -1.26 -0.76 135.00 132.27 1l2m s PRO 56 Ca 0.18 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.99 1l2m s PRO 56 Cb -0.14 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1l2m s PRO 56 CO 0.06 -0.54 0.01 -1.58 0.04 0.00 0.00 177.00 174.99 1l2m s HIS 57 N 2.63 2.85 -0.03 0.56 2.46 0.79 -1.38 115.29 123.17 1l2m s HIS 57 Ca 0.56 -0.14 0.02 0.00 0.47 0.00 0.00 55.06 55.97 1l2m s HIS 57 Cb -0.24 -1.37 0.01 0.00 -0.13 0.00 0.00 32.58 30.85 1l2m s HIS 57 CO 0.20 0.52 -0.06 -1.17 -2.47 0.00 0.00 174.74 171.76 1l2m s LEU 58 N -3.01 1.63 0.01 8.88 1.98 -0.98 -1.83 118.68 125.35 1l2m s LEU 58 Ca 0.28 -0.14 0.07 0.00 -2.89 0.00 0.00 54.13 51.45 1l2m s LEU 58 Cb -0.09 -0.44 -0.03 0.00 0.66 0.00 0.00 46.19 46.29 1l2m s LEU 58 CO 0.19 0.01 -0.20 -1.00 -1.89 0.00 0.00 176.35 173.46 1l2m s HIS 59 N 0.45 2.50 -0.02 5.38 3.76 0.32 -1.93 115.29 125.75 1l2m s HIS 59 Ca -0.06 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1l2m s HIS 59 Cb -0.10 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.10 1l2m s HIS 59 CO 0.00 0.15 0.08 0.42 -0.85 0.00 0.00 174.74 174.54 1l2m s ILE 60 N -0.79 0.03 -0.16 0.60 1.01 -0.63 -1.32 121.20 119.93 1l2m s ILE 60 Ca 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 1l2m s ILE 60 Cb -0.10 -0.19 0.06 0.00 0.01 0.00 0.00 42.46 42.23 1l2m s ILE 60 CO 0.02 -0.12 0.07 -0.22 0.00 0.00 0.00 174.94 174.70 1l2m s LEU 61 N -0.36 0.50 0.11 2.97 1.98 0.12 -1.89 118.68 122.11 1l2m s LEU 61 Ca -0.04 -0.57 0.10 0.00 -2.89 0.00 0.00 54.13 50.72 1l2m s LEU 61 Cb -0.03 -0.31 -0.04 0.00 0.66 0.00 0.00 46.19 46.47 1l2m s LEU 61 CO 0.00 -0.33 -0.24 -0.63 -1.89 0.00 0.00 176.35 173.27 1l2m s ILE 62 N 2.08 2.45 -0.09 6.68 1.01 -0.37 -0.28 121.20 132.68 1l2m s ILE 62 Ca 0.02 -1.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.04 1l2m s ILE 62 Cb -0.16 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.27 1l2m s ILE 62 CO -0.08 0.14 0.01 0.00 0.00 0.00 0.00 174.94 175.01 1l2m s GLN 63 N -1.95 0.53 0.35 2.79 1.03 -0.98 -0.20 119.66 121.23 1l2m s GLN 63 Ca 0.15 0.05 -0.05 0.00 0.04 0.00 0.00 55.36 55.56 1l2m s GLN 63 Cb -0.10 -1.12 -0.05 0.00 0.03 0.00 0.00 33.01 31.77 1l2m s GLN 63 CO 0.07 -0.37 0.62 -0.06 -2.54 0.00 0.00 175.29 173.01 1l2m s PHE 64 N 1.98 3.49 0.38 9.60 0.40 0.57 -1.85 117.98 132.56 1l2m s PHE 64 Ca 0.04 0.67 0.06 0.00 -0.60 0.00 0.00 56.93 57.11 1l2m s PHE 64 Cb -0.13 -2.15 0.77 0.00 0.51 0.00 0.00 43.02 42.02 1l2m s PHE 64 CO -0.06 0.05 1.99 1.49 0.70 0.00 0.00 175.22 179.40 1l2m h GLU 65 N 1.22 0.52 -5.68 0.44 4.22 -1.55 -3.44 114.58 110.31 1l2m h GLU 65 Ca -0.48 -0.06 -0.49 0.00 0.08 0.00 0.00 59.36 58.42 1l2m h GLU 65 Cb 1.20 -0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.20 1l2m h GLU 65 CO 0.64 0.42 -0.73 0.20 -2.18 0.00 0.00 179.01 177.36 1l2m s GLY 66 N -3.76 1.56 -0.19 1.92 0.00 -1.26 -5.05 107.32 100.54 1l2m s GLY 66 Ca -0.08 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 42.61 1l2m s GLY 66 CO 0.74 -1.81 2.17 0.28 0.00 0.00 0.00 173.10 174.49 1l2m n LYS 67 N -0.45 1.99 -3.25 2.90 5.02 -1.26 -4.67 118.16 118.44 1l2m n LYS 67 Ca -0.07 0.59 -0.39 0.00 -2.02 0.00 0.00 58.31 56.42 1l2m n LYS 67 Cb 0.61 -3.09 -0.06 0.00 -0.02 0.00 0.00 35.03 32.47 1l2m n LYS 67 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1l2m s TYR 68 N 7.49 3.75 -0.43 2.13 5.04 0.69 -4.81 117.35 131.22 1l2m s TYR 68 Ca 1.00 1.23 -0.16 0.00 -2.44 0.00 0.00 57.07 56.70 1l2m s TYR 68 Cb -0.43 -2.54 0.03 0.00 0.35 0.00 0.00 41.96 39.37 1l2m s TYR 68 CO 0.39 0.48 0.35 1.21 -1.34 0.00 0.00 175.55 176.64 1l2m s ASN 69 N -0.68 6.14 -0.89 4.32 3.04 -1.26 -2.24 114.94 123.37 1l2m s ASN 69 Ca 0.30 -0.93 0.00 0.00 0.04 0.00 0.00 52.86 52.27 1l2m s ASN 69 Cb -0.19 -2.18 0.29 0.00 -1.54 0.00 0.00 41.25 37.63 1l2m s ASN 69 CO 0.18 -0.52 1.19 0.00 -3.04 0.00 0.00 177.10 174.91 1l2m n THR 71 N 1.04 2.88 -3.64 0.00 5.66 -1.26 -2.73 114.28 116.22 1l2m n THR 71 Ca 0.28 -1.71 -0.02 0.00 -3.05 0.00 0.00 64.05 59.55 1l2m n THR 71 Cb 0.36 -0.70 -0.05 0.00 -1.55 0.00 0.00 70.33 68.39 1l2m n THR 71 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1l2m s ASN 72 N -0.89 -1.02 -0.25 1.09 2.47 -1.26 -4.72 114.94 110.36 1l2m s ASN 72 Ca 0.47 1.48 -0.00 0.00 0.42 0.00 0.00 52.86 55.23 1l2m s ASN 72 Cb 0.39 2.16 0.19 0.00 -1.45 0.00 0.00 41.25 42.54 1l2m s ASN 72 CO 0.07 -0.22 1.93 0.00 -3.72 0.00 0.00 177.10 175.15 1l2m n GLN 73 N 5.44 1.64 -0.00 0.43 6.02 -1.26 -3.50 117.38 126.15 1l2m n GLN 73 Ca -0.11 -1.28 0.01 0.00 -0.01 0.00 0.00 57.00 55.61 1l2m n GLN 73 Cb 0.49 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 1l2m n GLN 73 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1l2m n ARG 74 N 0.45 2.48 0.07 -1.09 1.74 -1.26 -4.52 116.66 114.53 1l2m n ARG 74 Ca 0.25 -0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 57.11 1l2m n ARG 74 Cb 0.62 -0.87 -0.11 0.00 -1.02 0.00 0.00 32.46 31.07 1l2m n ARG 74 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1l2m h PHE 75 N 0.00 0.97 -0.27 -1.55 3.57 -2.01 -3.13 116.94 114.51 1l2m h PHE 75 Ca 0.00 -0.56 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1l2m h PHE 75 Cb 0.08 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1l2m h PHE 75 CO 0.00 1.40 0.00 1.19 -2.23 0.00 0.00 178.31 178.67 1l2m n PHE 76 N -3.81 0.54 -1.87 0.41 3.72 -1.26 -4.85 117.46 110.35 1l2m n PHE 76 Ca -0.11 -0.23 -0.40 0.00 -0.05 0.00 0.00 57.45 56.66 1l2m n PHE 76 Cb 0.92 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 39.34 1l2m n PHE 76 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1l2m s ASP 77 N -0.76 5.31 -0.11 4.37 1.01 -1.18 -4.45 116.67 120.85 1l2m s ASP 77 Ca 0.20 0.99 -0.04 0.00 0.71 0.00 0.00 52.55 54.42 1l2m s ASP 77 Cb 0.12 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1l2m s ASP 77 CO 0.11 -2.23 0.04 -0.76 0.21 0.00 0.00 175.17 172.54 1l2m s LEU 78 N 8.98 3.78 0.29 1.23 1.02 -0.94 -4.97 118.68 128.07 1l2m s LEU 78 Ca 0.82 0.20 0.08 0.00 0.02 0.00 0.00 54.13 55.24 1l2m s LEU 78 Cb -0.19 -1.89 -0.06 0.00 0.02 0.00 0.00 46.19 44.07 1l2m s LEU 78 CO 0.28 0.35 -0.08 0.68 0.02 0.00 0.00 176.35 177.59 1l2m s VAL 79 N -0.69 1.86 -0.26 -1.59 -7.23 -1.26 0.40 120.40 111.62 1l2m s VAL 79 Ca 0.11 -2.17 -0.24 0.00 -1.81 0.00 0.00 61.98 57.87 1l2m s VAL 79 Cb -0.12 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1l2m s VAL 79 CO 0.02 -0.31 0.81 -0.55 -0.31 0.00 0.00 175.10 174.76 1l2m s SER 80 N -3.48 6.77 0.00 4.85 0.15 -0.04 -4.90 113.70 117.05 1l2m s SER 80 Ca 0.30 0.91 0.23 0.00 0.70 0.00 0.00 55.95 58.09 1l2m s SER 80 Cb 0.02 -2.42 1.20 0.00 -1.71 0.00 0.00 66.02 63.11 1l2m s SER 80 CO 0.13 -0.54 1.75 -0.81 1.20 0.00 0.00 173.24 174.97 1l2m n PRO 81 N 6.05 0.40 -0.01 5.44 -0.04 -1.26 -2.55 135.00 143.03 1l2m n PRO 81 Ca 0.05 0.06 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1l2m n PRO 81 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 1l2m n PRO 81 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1l2m n THR 82 N -1.23 0.04 -4.25 0.52 -2.24 -1.26 -5.00 114.28 100.85 1l2m n THR 82 Ca 0.12 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 1l2m n THR 82 Cb 0.16 0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 68.47 1l2m n THR 82 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1l2m s ARG 83 N -2.64 0.67 -0.83 -0.78 3.52 -1.06 -5.03 118.95 112.81 1l2m s ARG 83 Ca -0.04 -0.50 -0.07 0.00 -0.13 0.00 0.00 55.73 54.99 1l2m s ARG 83 Cb 0.06 -0.61 -0.13 0.00 -1.56 0.00 0.00 34.95 32.70 1l2m s ARG 83 CO 0.40 0.16 2.81 0.45 -0.81 0.00 0.00 175.30 178.30 1l2m n SER 84 N 2.32 6.16 -4.10 -2.12 2.88 -1.26 -3.82 113.62 113.68 1l2m n SER 84 Ca -0.17 -2.41 -0.22 0.00 -1.33 0.00 0.00 58.87 54.74 1l2m n SER 84 Cb 0.56 -1.30 -0.15 0.00 -0.75 0.00 0.00 64.21 62.57 1l2m n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1l2m s ALA 85 N 2.15 1.15 0.03 -1.46 0.00 -1.26 -5.04 121.76 117.33 1l2m s ALA 85 Ca 0.57 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1l2m s ALA 85 Cb 0.19 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1l2m s ALA 85 CO -0.03 0.28 0.02 -1.01 0.00 0.00 0.00 175.76 175.02 1l2m s HIS 86 N -0.30 3.10 -0.05 0.00 3.76 -1.26 -0.86 115.29 119.68 1l2m s HIS 86 Ca 0.05 0.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.07 1l2m s HIS 86 Cb -0.06 -1.64 -0.00 0.00 1.11 0.00 0.00 32.58 32.00 1l2m s HIS 86 CO -0.00 0.49 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.15 1l2m s PHE 87 N -1.20 1.66 -0.43 1.40 0.08 0.16 -4.97 117.98 114.68 1l2m s PHE 87 Ca 0.23 -0.50 -0.06 0.00 0.12 0.00 0.00 56.93 56.72 1l2m s PHE 87 Cb -0.12 -1.13 0.11 0.00 -0.57 0.00 0.00 43.02 41.31 1l2m s PHE 87 CO 0.15 -0.19 0.26 -1.58 -0.10 0.00 0.00 175.22 173.75 1l2m s HIS 88 N 0.14 3.51 0.70 0.36 5.65 -1.26 -2.21 115.29 122.18 1l2m s HIS 88 Ca -0.06 -2.15 -0.11 0.00 0.25 0.00 0.00 55.06 53.00 1l2m s HIS 88 Cb -0.12 -3.28 0.01 0.00 -1.18 0.00 0.00 32.58 28.01 1l2m s HIS 88 CO 0.03 -0.97 1.06 -1.25 -0.65 0.00 0.00 174.74 172.96 1l2m s PRO 89 N 1.24 2.87 -0.27 2.88 0.04 -1.26 -4.93 135.00 135.57 1l2m s PRO 89 Ca 0.07 0.93 -0.20 0.00 0.04 0.00 0.00 61.00 61.84 1l2m s PRO 89 Cb -0.24 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1l2m s PRO 89 CO -0.02 -1.14 0.62 1.21 0.04 0.00 0.00 177.00 177.71 1l2m s ASN 90 N -3.80 6.54 -0.07 6.66 3.84 -0.35 -4.87 114.94 122.88 1l2m s ASN 90 Ca 0.58 0.60 -0.22 0.00 0.21 0.00 0.00 52.86 54.03 1l2m s ASN 90 Cb -0.14 -2.33 -0.04 0.00 -0.55 0.00 0.00 41.25 38.19 1l2m s ASN 90 CO 0.55 -0.41 0.64 -0.63 -2.79 0.00 0.00 177.10 174.46 1l2m s ILE 91 N 2.54 5.07 -0.03 -5.21 1.01 -1.26 -2.36 121.20 120.96 1l2m s ILE 91 Ca 0.26 1.32 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1l2m s ILE 91 Cb -0.15 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1l2m s ILE 91 CO 0.10 0.28 -0.04 -1.10 0.00 0.00 0.00 174.94 174.17 1l2m s GLN 92 N 0.70 0.61 -0.34 2.79 -0.21 -0.68 -4.98 119.66 117.54 1l2m s GLN 92 Ca 0.34 -0.11 -0.19 0.00 0.02 0.00 0.00 55.36 55.42 1l2m s GLN 92 Cb -0.17 -0.63 -0.00 0.00 1.00 0.00 0.00 33.01 33.20 1l2m s GLN 92 CO 0.16 -0.01 0.58 0.20 -2.12 0.00 0.00 175.29 174.10 1l2m s GLY 93 N 0.53 1.79 -0.38 3.09 0.00 -1.26 -0.08 107.32 111.00 1l2m s GLY 93 Ca -0.06 -0.86 -0.24 0.00 0.00 0.00 0.00 44.72 43.55 1l2m s GLY 93 CO -0.00 1.38 0.85 0.00 0.00 0.00 0.00 173.10 175.32 1l2m s ALA 94 N 2.54 3.39 0.39 3.20 0.00 0.75 -4.98 121.76 127.05 1l2m s ALA 94 Ca 0.22 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1l2m s ALA 94 Cb -0.15 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1l2m s ALA 94 CO 0.13 -1.63 0.00 1.17 0.00 0.00 0.00 175.76 175.43 1l2m n LYS 95 N 6.65 2.70 -3.67 0.00 4.81 -1.26 -3.66 118.16 123.73 1l2m n LYS 95 Ca 0.05 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.13 1l2m n LYS 95 Cb 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.48 1l2m n LYS 95 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1l2m s SER 96 N -1.91 6.58 0.00 3.14 0.15 -1.26 -4.74 113.70 115.66 1l2m s SER 96 Ca 0.00 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1l2m s SER 96 Cb 0.00 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1l2m s SER 96 CO 0.00 0.27 0.00 -1.20 1.20 0.00 0.00 173.24 173.51 1l2m n SER 97 N 1.32 0.00 -0.00 5.45 7.64 -1.26 -4.97 113.62 121.80 1l2m n SER 97 Ca -0.12 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.90 1l2m n SER 97 Cb 0.53 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.38 1l2m n SER 97 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1l2m n SER 98 N 0.00 0.01 -0.05 6.43 7.64 -1.26 -3.60 113.62 122.79 1l2m n SER 98 Ca 0.00 0.31 0.24 0.00 1.01 0.00 0.00 58.87 60.43 1l2m n SER 98 Cb 0.00 -0.43 0.57 0.00 -1.01 0.00 0.00 64.21 63.34 1l2m n SER 98 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1l2m h ASP 99 N 0.00 0.00 -0.39 6.43 3.58 -1.99 1.77 116.42 125.82 1l2m h ASP 99 Ca 0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 1l2m h ASP 99 Cb 0.44 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1l2m h ASP 99 CO 0.00 0.00 -0.12 -0.37 -2.88 0.00 0.00 179.24 175.87 1l2m h VAL 100 N 0.00 1.28 -0.62 2.25 -1.51 -1.99 -1.63 116.25 114.02 1l2m h VAL 100 Ca 0.34 -1.22 -0.06 0.00 -1.23 0.00 0.00 66.70 64.53 1l2m h VAL 100 Cb 2.06 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 32.44 1l2m h VAL 100 CO -0.00 0.41 0.15 0.50 -1.23 0.00 0.00 177.57 177.40 1l2m h LYS 101 N 0.59 0.99 -0.30 5.19 3.11 0.24 0.22 116.57 126.62 1l2m h LYS 101 Ca 0.10 -0.24 0.03 0.00 -2.81 0.00 0.00 60.65 57.73 1l2m h LYS 101 Cb 0.65 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.72 1l2m h LYS 101 CO 0.04 0.90 0.12 0.77 -2.81 0.00 0.00 179.45 178.47 1l2m h SER 102 N 0.91 0.14 0.09 4.20 0.02 -1.20 0.36 113.55 118.07 1l2m h SER 102 Ca 0.19 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1l2m h SER 102 Cb 0.36 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1l2m h SER 102 CO 0.00 0.12 -0.39 0.22 -1.14 0.00 0.00 176.83 175.64 1l2m h TYR 103 N 0.26 0.47 -0.59 3.45 3.20 -1.04 -2.15 116.97 120.57 1l2m h TYR 103 Ca 0.13 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1l2m h TYR 103 Cb 0.09 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1l2m h TYR 103 CO -0.12 0.74 -0.03 0.82 -1.64 0.00 0.00 178.16 177.92 1l2m h ILE 104 N 0.33 1.27 0.00 1.81 2.04 0.20 -2.00 117.51 121.16 1l2m h ILE 104 Ca 0.03 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 1l2m h ILE 104 Cb 0.84 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1l2m h ILE 104 CO 0.07 0.43 -0.23 -0.78 0.00 0.00 0.00 178.15 177.64 1l2m h ASP 105 N 0.96 0.00 0.00 1.72 3.58 -0.09 -3.32 116.42 119.27 1l2m h ASP 105 Ca 0.16 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.98 1l2m h ASP 105 Cb 0.59 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.65 1l2m h ASP 105 CO 0.04 0.23 2.79 0.29 -2.88 0.00 0.00 179.24 179.70 1l2m n LYS 106 N -3.60 2.27 -2.12 0.28 5.02 -0.75 -4.90 118.16 114.36 1l2m n LYS 106 Ca -0.01 -2.09 -0.28 0.00 -2.02 0.00 0.00 58.31 53.91 1l2m n LYS 106 Cb 0.36 -2.97 0.15 0.00 -0.02 0.00 0.00 35.03 32.55 1l2m n LYS 106 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1l2m s ASP 107 N 3.88 3.70 0.00 4.39 -4.77 -1.25 -4.99 116.67 117.63 1l2m s ASP 107 Ca 0.53 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.94 1l2m s ASP 107 Cb 0.14 -0.39 0.00 0.00 -1.09 0.00 0.00 42.92 41.58 1l2m s ASP 107 CO 0.01 -2.34 0.00 0.61 0.70 0.00 0.00 175.17 174.15 1l2m n GLY 108 N -3.41 2.58 2.92 2.12 0.00 -1.26 -4.94 105.19 103.19 1l2m n GLY 108 Ca 0.14 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1l2m n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1l2m n ASP 109 N 0.00 -5.63 -4.34 1.61 8.00 -1.26 -4.96 116.55 109.96 1l2m n ASP 109 Ca 0.00 -0.28 -0.18 0.00 0.71 0.00 0.00 54.79 55.05 1l2m n ASP 109 Cb 0.00 -4.44 -0.10 0.00 -0.02 0.00 0.00 41.12 36.56 1l2m n ASP 109 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1l2m s VAL 110 N -3.13 1.04 -0.05 2.53 -7.23 -1.26 -4.62 120.40 107.68 1l2m s VAL 110 Ca 0.30 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1l2m s VAL 110 Cb -0.13 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1l2m s VAL 110 CO 0.37 -0.27 0.06 -0.22 -0.31 0.00 0.00 175.10 174.73 1l2m s LEU 111 N -3.33 3.86 -0.06 1.32 0.20 -0.70 -5.02 118.68 114.95 1l2m s LEU 111 Ca 0.30 0.19 0.04 0.00 0.69 0.00 0.00 54.13 55.34 1l2m s LEU 111 Cb 0.06 -2.09 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 1l2m s LEU 111 CO 0.10 0.33 -0.16 -1.61 -0.29 0.00 0.00 176.35 174.71 1l2m s GLU 112 N -1.35 1.92 0.00 1.98 2.02 -1.26 -2.30 118.70 119.71 1l2m s GLU 112 Ca 0.19 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.59 1l2m s GLU 112 Cb -0.12 -1.59 -0.01 0.00 0.10 0.00 0.00 34.13 32.51 1l2m s GLU 112 CO 0.09 0.16 0.02 -0.46 0.02 0.00 0.00 175.26 175.08 1l2m s TRP 113 N 0.30 0.11 0.23 1.61 -0.00 -0.50 -5.03 118.94 115.65 1l2m s TRP 113 Ca -0.10 -0.21 0.00 0.00 -0.00 0.00 0.00 56.10 55.79 1l2m s TRP 113 Cb -0.14 -0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.25 1l2m s TRP 113 CO 0.04 -0.13 0.00 0.41 -0.00 0.00 0.00 176.95 177.27 1l2m n GLY 114 N 2.20 -1.86 3.08 5.86 0.00 -1.26 0.27 105.19 113.48 1l2m n GLY 114 Ca -0.19 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1l2m n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l2m s THR 115 N -2.04 1.68 0.44 2.61 2.01 -1.23 -4.65 115.64 114.46 1l2m s THR 115 Ca 0.00 -0.74 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 1l2m s THR 115 Cb 0.00 -1.53 -0.11 0.00 0.01 0.00 0.00 72.50 70.88 1l2m s THR 115 CO 0.00 0.48 0.95 0.12 -0.69 0.00 0.00 174.62 175.48 1l2m s PHE 116 N 1.05 3.31 -0.09 4.92 2.19 -1.26 -4.03 117.98 124.07 1l2m s PHE 116 Ca -0.04 1.60 -0.04 0.00 0.33 0.00 0.00 56.93 58.78 1l2m s PHE 116 Cb -0.15 -2.85 0.05 0.00 -1.31 0.00 0.00 43.02 38.76 1l2m s PHE 116 CO -0.04 -0.14 0.21 1.14 1.83 0.00 0.00 175.22 178.22 1l2m s GLN 117 N -3.25 0.14 -0.08 10.12 -2.07 -1.26 -5.04 119.66 118.22 1l2m s GLN 117 Ca 0.62 0.52 -0.23 0.00 -1.82 0.00 0.00 55.36 54.45 1l2m s GLN 117 Cb -0.09 -0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 31.65 1l2m s GLN 117 CO 0.15 -0.20 0.67 0.42 -1.32 0.00 0.00 175.29 175.01 1l2m s ILE 118 N 1.52 5.06 -0.09 3.63 1.01 -1.26 -5.03 121.20 126.04 1l2m s ILE 118 Ca -0.06 1.37 -0.25 0.00 0.00 0.00 0.00 60.65 61.71 1l2m s ILE 118 Cb -0.11 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 1l2m s ILE 118 CO -0.07 0.25 0.76 -0.62 0.00 0.00 0.00 174.94 175.26 1l2m s ASP 119 N 0.80 7.01 0.00 3.58 2.15 -1.26 -4.89 116.67 124.05 1l2m s ASP 119 Ca 0.36 1.22 0.00 0.00 0.43 0.00 0.00 52.55 54.56 1l2m s ASP 119 Cb -0.17 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1l2m s ASP 119 CO 0.17 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 1l2m n GLY 120 N 3.21 0.91 0.00 2.66 0.00 -1.26 -5.17 105.19 105.53 1l2m n GLY 120 Ca 0.01 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1l2m n GLY 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19