#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d6m n SER 0 N 0.00 0.00 -3.91 1.61 3.41 -1.26 -4.74 113.62 108.73 2d6m n SER 0 Ca 0.00 0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.64 2d6m n SER 0 Cb 0.00 -0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 63.43 2d6m n SER 0 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d6m s MET 1 N -2.76 0.17 0.26 4.33 0.23 -1.26 -5.13 119.30 115.14 2d6m s MET 1 Ca 0.19 -0.09 -0.30 0.00 -1.03 0.00 0.00 55.69 54.46 2d6m s MET 1 Cb 0.17 -0.16 -0.11 0.00 -1.53 0.00 0.00 34.83 33.21 2d6m s MET 1 CO 0.43 0.04 1.55 0.00 -2.03 0.00 0.00 175.02 175.01 2d6m s ALA 2 N -0.09 3.73 0.01 3.16 0.00 -1.26 -5.02 121.76 122.29 2d6m s ALA 2 Ca 0.00 1.47 0.07 0.00 0.00 0.00 0.00 51.96 53.50 2d6m s ALA 2 Cb -0.01 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 2d6m s ALA 2 CO -0.00 -0.87 -0.22 -0.51 0.00 0.00 0.00 175.76 174.16 2d6m s LEU 3 N -0.13 2.09 0.01 0.00 1.43 -1.26 -4.40 118.68 116.42 2d6m s LEU 3 Ca 0.64 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2d6m s LEU 3 Cb -0.45 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 2d6m s LEU 3 CO 0.43 0.23 -0.21 -0.36 0.23 0.00 0.00 176.35 176.68 2d6m s PHE 4 N -0.63 1.84 0.33 0.29 0.08 0.32 -4.93 117.98 115.28 2d6m s PHE 4 Ca 0.08 -0.36 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 2d6m s PHE 4 Cb -0.09 -1.15 -0.11 0.00 -0.57 0.00 0.00 43.02 41.11 2d6m s PHE 4 CO 0.00 0.02 1.46 -1.54 -0.10 0.00 0.00 175.22 175.06 2d6m s SER 5 N -0.74 6.49 -0.09 1.36 1.04 -1.26 -1.16 113.70 119.34 2d6m s SER 5 Ca 0.08 2.90 0.13 0.00 0.48 0.00 0.00 55.95 59.53 2d6m s SER 5 Cb -0.08 -2.65 -0.18 0.00 0.10 0.00 0.00 66.02 63.20 2d6m s SER 5 CO 0.00 -0.78 0.14 0.00 0.98 0.00 0.00 173.24 173.59 2d6m n ALA 6 N 1.11 1.99 -3.32 5.32 0.00 0.62 -4.82 120.51 121.41 2d6m n ALA 6 Ca 0.03 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.67 2d6m n ALA 6 Cb 0.40 -0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 2d6m n ALA 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2d6m s GLN 7 N -2.56 0.63 0.61 0.00 0.74 -1.24 -5.04 119.66 112.80 2d6m s GLN 7 Ca -0.06 0.27 -0.18 0.00 0.05 0.00 0.00 55.36 55.44 2d6m s GLN 7 Cb 0.06 0.30 -0.06 0.00 1.10 0.00 0.00 33.01 34.40 2d6m s GLN 7 CO 0.55 -0.14 0.71 0.43 -0.55 0.00 0.00 175.29 176.30 2d6m n SER 8 N 2.03 -0.30 -4.80 6.67 7.64 -1.26 -4.24 113.62 119.36 2d6m n SER 8 Ca -0.17 0.73 -0.32 0.00 1.01 0.00 0.00 58.87 60.12 2d6m n SER 8 Cb 0.57 -1.27 0.03 0.00 -1.01 0.00 0.00 64.21 62.52 2d6m n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2d6m s PRO 9 N -2.51 3.13 -0.37 1.43 0.04 -1.26 -4.76 135.00 130.70 2d6m s PRO 9 Ca 0.72 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.74 2d6m s PRO 9 Cb -0.41 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2d6m s PRO 9 CO 0.51 -0.96 0.58 0.71 0.04 0.00 0.00 177.00 177.88 2d6m s TYR 10 N -2.57 3.15 -0.15 0.56 1.51 -0.11 -4.96 117.35 114.78 2d6m s TYR 10 Ca 0.63 0.18 -0.10 0.00 -1.01 0.00 0.00 57.07 56.77 2d6m s TYR 10 Cb -0.16 -3.07 -0.05 0.00 -0.11 0.00 0.00 41.96 38.57 2d6m s TYR 10 CO 0.42 -0.63 0.17 0.42 -1.11 0.00 0.00 175.55 174.82 2d6m s ILE 11 N 2.57 5.41 -1.41 2.71 1.01 -1.26 -0.49 121.20 129.73 2d6m s ILE 11 Ca 0.21 0.29 -0.15 0.00 0.00 0.00 0.00 60.65 61.00 2d6m s ILE 11 Cb -0.15 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.86 2d6m s ILE 11 CO 0.15 0.51 0.29 0.59 0.00 0.00 0.00 174.94 176.47 2d6m n ASN 12 N 2.85 -1.16 -4.77 3.58 5.03 0.15 -4.87 115.26 116.07 2d6m n ASN 12 Ca -0.17 -1.29 -0.41 0.00 0.87 0.00 0.00 54.58 53.58 2d6m n ASN 12 Cb 0.53 -1.60 -0.02 0.00 -1.02 0.00 0.00 39.78 37.67 2d6m n ASN 12 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2d6m s PRO 13 N -7.44 4.35 -0.04 3.52 0.04 -1.26 -4.95 135.00 129.23 2d6m s PRO 13 Ca 0.21 2.22 -0.28 0.00 0.04 0.00 0.00 61.00 63.18 2d6m s PRO 13 Cb -0.12 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 2d6m s PRO 13 CO 0.99 -0.22 0.92 0.42 0.04 0.00 0.00 177.00 179.15 2d6m s ILE 14 N -0.96 4.90 -0.03 0.56 1.01 -1.26 -4.47 121.20 120.95 2d6m s ILE 14 Ca 0.50 1.91 -0.22 0.00 0.00 0.00 0.00 60.65 62.84 2d6m s ILE 14 Cb -0.40 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.77 2d6m s ILE 14 CO 0.51 0.15 0.64 -0.63 0.00 0.00 0.00 174.94 175.62 2d6m s ILE 15 N 1.16 4.95 0.20 2.92 -1.09 -1.26 -2.85 121.20 125.22 2d6m s ILE 15 Ca 0.48 1.34 -0.30 0.00 -2.23 0.00 0.00 60.65 59.94 2d6m s ILE 15 Cb -0.20 -3.98 -0.08 0.00 -1.58 0.00 0.00 42.46 36.62 2d6m s ILE 15 CO 0.24 0.35 1.17 -2.16 -1.23 0.00 0.00 174.94 173.31 2d6m s PRO 16 N 0.20 4.52 -0.04 2.79 0.04 -1.26 -5.00 135.00 136.25 2d6m s PRO 16 Ca 0.34 1.85 0.05 0.00 0.04 0.00 0.00 61.00 63.28 2d6m s PRO 16 Cb -0.18 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2d6m s PRO 16 CO 0.18 -0.03 -0.18 0.12 0.04 0.00 0.00 177.00 177.12 2d6m s PHE 17 N -0.25 2.58 -0.02 0.56 5.36 0.12 -4.97 117.98 121.36 2d6m s PHE 17 Ca 0.51 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 2d6m s PHE 17 Cb -0.32 -1.59 0.02 0.00 -0.34 0.00 0.00 43.02 40.79 2d6m s PHE 17 CO 0.37 0.10 0.00 0.99 -1.46 0.00 0.00 175.22 175.23 2d6m s THR 18 N -0.67 0.10 0.16 0.12 2.01 -1.26 0.02 115.64 116.12 2d6m s THR 18 Ca 0.10 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 2d6m s THR 18 Cb -0.11 -0.18 0.07 0.00 0.01 0.00 0.00 72.50 72.29 2d6m s THR 18 CO 0.00 0.10 0.68 -0.83 -0.69 0.00 0.00 174.62 173.89 2d6m s GLY 19 N 0.77 -0.48 0.48 4.40 0.00 -0.63 -5.01 107.32 106.86 2d6m s GLY 19 Ca -0.07 0.40 -0.23 0.00 0.00 0.00 0.00 44.72 44.82 2d6m s GLY 19 CO -0.02 0.13 1.21 2.56 0.00 0.00 0.00 173.10 176.99 2d6m s PRO 20 N -3.66 3.60 -0.56 2.90 0.04 -1.26 -1.02 135.00 135.03 2d6m s PRO 20 Ca 0.04 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.82 2d6m s PRO 20 Cb -0.02 -2.37 0.14 0.00 0.04 0.00 0.00 34.50 32.29 2d6m s PRO 20 CO -0.08 -0.71 0.51 0.42 0.04 0.00 0.00 177.00 177.17 2d6m s ILE 21 N -1.49 5.08 0.03 0.56 1.01 0.28 -4.73 121.20 121.95 2d6m s ILE 21 Ca 0.66 -1.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 2d6m s ILE 21 Cb -0.31 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 37.82 2d6m s ILE 21 CO 0.38 -0.87 1.82 -1.10 0.00 0.00 0.00 174.94 175.17 2d6m s GLN 22 N 1.37 4.16 0.00 2.79 -0.21 -1.26 -0.97 119.66 125.54 2d6m s GLN 22 Ca 0.05 2.46 0.00 0.00 0.02 0.00 0.00 55.36 57.89 2d6m s GLN 22 Cb -0.27 -3.97 0.00 0.00 1.00 0.00 0.00 33.01 29.77 2d6m s GLN 22 CO 0.01 -0.88 0.00 0.41 -2.12 0.00 0.00 175.29 172.71 2d6m n GLY 23 N 4.32 1.33 0.00 3.09 0.00 -1.26 -4.88 105.19 107.79 2d6m n GLY 23 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2d6m n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6m n GLY 24 N -2.00 -0.41 3.68 -0.02 0.00 -0.15 -4.93 105.19 101.37 2d6m n GLY 24 Ca 0.00 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 2d6m n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d6m n LEU 25 N -1.06 3.96 -4.15 0.99 4.77 -0.52 -5.00 117.00 115.99 2d6m n LEU 25 Ca 0.00 1.05 -0.16 0.00 -0.03 0.00 0.00 56.01 56.87 2d6m n LEU 25 Cb 0.00 -1.47 -0.11 0.00 -2.33 0.00 0.00 43.42 39.50 2d6m n LEU 25 CO 0.00 -0.90 -0.43 -1.10 -1.33 0.00 0.00 177.39 173.63 2d6m s GLN 26 N -2.32 0.76 0.21 3.23 -1.52 -1.26 -4.19 119.66 114.56 2d6m s GLN 26 Ca 0.64 -0.97 -0.32 0.00 -1.95 0.00 0.00 55.36 52.76 2d6m s GLN 26 Cb -0.49 -0.61 -0.13 0.00 -0.22 0.00 0.00 33.01 31.56 2d6m s GLN 26 CO 0.55 0.12 1.56 -1.91 -0.25 0.00 0.00 175.29 175.36 2d6m n GLU 27 N 1.09 2.31 -0.29 2.91 2.13 -1.26 -1.76 120.64 125.76 2d6m n GLU 27 Ca -0.20 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.45 2d6m n GLU 27 Cb 0.55 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.68 2d6m n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d6m n GLY 28 N 2.97 1.51 3.76 8.31 0.00 0.73 -5.03 105.19 117.44 2d6m n GLY 28 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2d6m n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d6m s LEU 29 N 0.00 4.46 -0.20 0.99 2.96 -0.72 -4.41 118.68 121.76 2d6m s LEU 29 Ca 0.00 2.51 0.01 0.00 -0.22 0.00 0.00 54.13 56.43 2d6m s LEU 29 Cb 0.00 -3.64 0.03 0.00 0.50 0.00 0.00 46.19 43.09 2d6m s LEU 29 CO 0.00 -0.41 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.36 2d6m s GLN 30 N -1.39 2.65 -0.33 1.98 -0.21 0.53 -1.00 119.66 121.89 2d6m s GLN 30 Ca 0.49 -0.93 -0.10 0.00 0.02 0.00 0.00 55.36 54.84 2d6m s GLN 30 Cb -0.37 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.06 2d6m s GLN 30 CO 0.47 -0.32 0.16 0.08 -2.12 0.00 0.00 175.29 173.56 2d6m s VAL 31 N 1.28 4.59 -0.13 1.09 1.01 0.16 -0.88 120.40 127.52 2d6m s VAL 31 Ca 0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2d6m s VAL 31 Cb -0.15 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2d6m s VAL 31 CO -0.10 -0.01 -0.12 -0.89 0.00 0.00 0.00 175.10 173.98 2d6m s THR 32 N 1.60 3.15 -0.23 3.92 2.01 0.09 -0.69 115.64 125.50 2d6m s THR 32 Ca 0.04 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 2d6m s THR 32 Cb -0.18 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2d6m s THR 32 CO 0.06 0.53 0.02 -0.76 -0.69 0.00 0.00 174.62 173.78 2d6m s LEU 33 N 0.27 3.25 -0.21 4.42 1.02 0.89 -1.13 118.68 127.18 2d6m s LEU 33 Ca -0.09 -0.25 -0.05 0.00 0.02 0.00 0.00 54.13 53.76 2d6m s LEU 33 Cb -0.15 -1.85 -0.02 0.00 0.02 0.00 0.00 46.19 44.19 2d6m s LEU 33 CO 0.05 -0.00 0.00 -1.58 0.02 0.00 0.00 176.35 174.84 2d6m s GLN 34 N 1.39 3.56 0.00 1.70 2.00 -0.59 -0.57 119.66 127.16 2d6m s GLN 34 Ca 0.05 -0.54 0.00 0.00 -2.00 0.00 0.00 55.36 52.87 2d6m s GLN 34 Cb -0.15 -3.10 0.00 0.00 0.80 0.00 0.00 33.01 30.56 2d6m s GLN 34 CO 0.01 -0.07 0.00 0.41 -0.50 0.00 0.00 175.29 175.14 2d6m n GLY 35 N 4.49 2.06 2.82 2.59 0.00 -0.66 -0.11 105.19 116.37 2d6m n GLY 35 Ca -0.17 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 2d6m n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d6m s THR 36 N -2.84 0.10 0.12 2.61 2.01 -0.36 -0.50 115.64 116.79 2d6m s THR 36 Ca 0.00 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 2d6m s THR 36 Cb 0.00 -0.19 -0.07 0.00 0.01 0.00 0.00 72.50 72.25 2d6m s THR 36 CO 0.00 0.11 1.15 -0.89 -0.69 0.00 0.00 174.62 174.30 2d6m s THR 37 N 0.83 3.92 0.78 -0.82 2.01 -0.87 -1.59 115.64 119.91 2d6m s THR 37 Ca -0.08 1.51 -0.14 0.00 0.31 0.00 0.00 61.69 63.29 2d6m s THR 37 Cb -0.11 -3.97 0.06 0.00 0.01 0.00 0.00 72.50 68.49 2d6m s THR 37 CO -0.02 0.19 1.17 0.29 -0.69 0.00 0.00 174.62 175.56 2d6m n LYS 38 N 3.11 0.32 0.07 4.92 5.02 -0.72 -0.70 118.16 130.17 2d6m n LYS 38 Ca 0.06 0.18 -0.01 0.00 -2.02 0.00 0.00 58.31 56.51 2d6m n LYS 38 Cb 0.46 -2.41 0.26 0.00 -0.02 0.00 0.00 35.03 33.32 2d6m n LYS 38 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2d6m h SER 39 N -0.67 0.32 -3.76 4.39 0.02 -1.89 -1.86 113.55 110.09 2d6m h SER 39 Ca -0.47 -0.11 -0.65 0.00 -0.84 0.00 0.00 61.79 59.72 2d6m h SER 39 Cb 1.31 -0.09 -0.38 0.00 0.14 0.00 0.00 62.40 63.38 2d6m h SER 39 CO 0.47 0.61 -0.78 -0.36 -1.14 0.00 0.00 176.83 175.62 2d6m s PHE 40 N -4.41 3.17 -0.02 3.45 0.40 -1.26 -4.37 117.98 114.94 2d6m s PHE 40 Ca -0.06 -2.36 0.07 0.00 -0.60 0.00 0.00 56.93 53.98 2d6m s PHE 40 Cb 0.14 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 2d6m s PHE 40 CO 0.77 -0.88 -0.24 0.00 0.70 0.00 0.00 175.22 175.57 2d6m s ALA 41 N 1.12 2.00 -0.12 5.36 0.00 -1.24 -5.00 121.76 123.88 2d6m s ALA 41 Ca -0.03 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 2d6m s ALA 41 Cb -0.19 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 2d6m s ALA 41 CO -0.07 0.49 -0.22 1.04 0.00 0.00 0.00 175.76 177.01 2d6m n GLN 42 N 2.51 0.34 -3.69 0.00 1.13 -1.26 -4.70 117.38 111.71 2d6m n GLN 42 Ca -0.16 0.14 -0.13 0.00 -1.94 0.00 0.00 57.00 54.92 2d6m n GLN 42 Cb 0.52 -1.08 -0.07 0.00 0.11 0.00 0.00 30.24 29.71 2d6m n GLN 42 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2d6m s ARG 43 N -2.43 0.86 0.11 -1.09 0.52 -1.26 -0.38 118.95 115.29 2d6m s ARG 43 Ca -0.21 -0.35 -0.00 0.00 -0.52 0.00 0.00 55.73 54.65 2d6m s ARG 43 Cb 0.06 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.87 2d6m s ARG 43 CO 0.28 -0.28 0.01 -0.59 0.02 0.00 0.00 175.30 174.74 2d6m s PHE 44 N -2.29 0.83 -0.03 -0.53 -0.12 -0.97 -1.60 117.98 113.27 2d6m s PHE 44 Ca -0.07 -1.13 0.01 0.00 -0.05 0.00 0.00 56.93 55.70 2d6m s PHE 44 Cb -0.01 -0.49 0.01 0.00 -0.63 0.00 0.00 43.02 41.90 2d6m s PHE 44 CO -0.01 -0.40 -0.05 0.08 -0.05 0.00 0.00 175.22 174.78 2d6m s VAL 45 N -3.91 0.52 -0.18 -2.49 1.01 -0.18 -2.93 120.40 112.23 2d6m s VAL 45 Ca 0.18 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2d6m s VAL 45 Cb 0.07 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.96 2d6m s VAL 45 CO -0.02 0.19 -0.19 -0.69 0.00 0.00 0.00 175.10 174.39 2d6m s VAL 46 N 0.48 2.16 -0.13 2.92 1.01 -0.20 -1.58 120.40 125.06 2d6m s VAL 46 Ca -0.06 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 2d6m s VAL 46 Cb -0.10 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 2d6m s VAL 46 CO 0.00 0.53 -0.13 0.20 0.00 0.00 0.00 175.10 175.70 2d6m s ASN 47 N 1.25 4.01 -0.36 3.32 0.02 0.13 -0.88 114.94 122.44 2d6m s ASN 47 Ca 0.04 -0.33 -0.12 0.00 -1.02 0.00 0.00 52.86 51.43 2d6m s ASN 47 Cb -0.13 -1.61 0.01 0.00 0.02 0.00 0.00 41.25 39.53 2d6m s ASN 47 CO -0.11 0.16 0.22 -0.36 0.02 0.00 0.00 177.10 177.03 2d6m s PHE 48 N 0.37 3.22 0.15 2.20 0.08 -0.13 -1.06 117.98 122.81 2d6m s PHE 48 Ca -0.11 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.31 2d6m s PHE 48 Cb -0.16 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 2d6m s PHE 48 CO 0.05 -0.53 0.01 1.14 -0.10 0.00 0.00 175.22 175.79 2d6m s GLN 49 N 1.63 1.01 -0.46 0.44 -2.07 -0.37 -0.67 119.66 119.17 2d6m s GLN 49 Ca 0.04 -1.47 -0.14 0.00 -1.82 0.00 0.00 55.36 51.96 2d6m s GLN 49 Cb -0.18 -0.08 0.07 0.00 -1.09 0.00 0.00 33.01 31.73 2d6m s GLN 49 CO 0.08 -0.16 0.36 1.21 -1.32 0.00 0.00 175.29 175.46 2d6m s ASN 50 N -3.11 6.06 0.01 12.60 3.84 -0.02 -2.09 114.94 132.23 2d6m s ASN 50 Ca 0.22 -1.32 0.00 0.00 0.21 0.00 0.00 52.86 51.97 2d6m s ASN 50 Cb 0.07 -2.15 0.00 0.00 -0.55 0.00 0.00 41.25 38.62 2d6m s ASN 50 CO 0.02 -0.61 0.00 -1.54 -2.79 0.00 0.00 177.10 172.18 2d6m n SER 51 N 5.15 -0.17 0.28 -4.21 3.41 -1.26 -4.53 113.62 112.28 2d6m n SER 51 Ca -0.12 0.02 0.17 0.00 -0.26 0.00 0.00 58.87 58.68 2d6m n SER 51 Cb 0.44 -0.09 0.73 0.00 -0.26 0.00 0.00 64.21 65.03 2d6m n SER 51 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2d6m h PHE 52 N -0.03 0.00 -0.77 7.33 -5.15 -1.97 -3.34 116.94 113.00 2d6m h PHE 52 Ca -0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 2d6m h PHE 52 Cb 0.03 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.16 2d6m h PHE 52 CO -0.03 0.03 0.42 -0.91 -2.00 0.00 0.00 178.31 175.82 2d6m h ASN 53 N 0.00 0.97 0.00 -0.68 2.35 -1.98 -3.47 115.58 112.78 2d6m h ASN 53 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2d6m h ASN 53 Cb 0.46 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2d6m h ASN 53 CO 0.00 0.79 0.00 0.61 -1.65 0.00 0.00 177.43 177.18 2d6m n GLY 54 N -1.09 0.87 0.16 2.83 0.00 -1.26 -4.92 105.19 101.78 2d6m n GLY 54 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 2d6m n GLY 54 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d6m h ASN 55 N 0.00 0.00 -3.42 1.61 2.35 -1.91 -3.41 115.58 110.80 2d6m h ASN 55 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 2d6m h ASN 55 Cb 0.00 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 37.97 2d6m h ASN 55 CO 0.00 0.48 -0.75 -1.81 -1.65 0.00 0.00 177.43 173.70 2d6m s ASP 56 N -6.46 4.25 -0.31 5.81 1.01 -1.26 -0.91 116.67 118.81 2d6m s ASP 56 Ca 0.02 -1.74 -0.00 0.00 0.71 0.00 0.00 52.55 51.54 2d6m s ASP 56 Cb 0.09 -1.19 0.07 0.00 1.01 0.00 0.00 42.92 42.90 2d6m s ASP 56 CO 0.72 -0.37 0.01 -0.63 0.21 0.00 0.00 175.17 175.11 2d6m s ILE 57 N 1.33 2.76 0.21 0.77 1.01 -0.02 -0.84 121.20 126.41 2d6m s ILE 57 Ca 0.08 -1.64 -0.09 0.00 0.00 0.00 0.00 60.65 58.99 2d6m s ILE 57 Cb -0.18 -2.68 0.16 0.00 0.01 0.00 0.00 42.46 39.76 2d6m s ILE 57 CO -0.16 -0.22 1.81 0.00 0.00 0.00 0.00 174.94 176.37 2d6m h ALA 58 N 7.91 1.01 -2.59 9.38 0.00 -1.13 0.13 119.26 133.96 2d6m h ALA 58 Ca -0.18 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 2d6m h ALA 58 Cb 1.05 -0.31 -0.33 0.00 0.00 0.00 0.00 17.79 18.20 2d6m h ALA 58 CO 0.54 0.55 -0.55 0.12 0.00 0.00 0.00 179.25 179.90 2d6m s PHE 59 N -5.76 -0.44 -0.23 0.00 5.36 -1.06 -4.48 117.98 111.36 2d6m s PHE 59 Ca -0.13 0.69 -0.06 0.00 -0.96 0.00 0.00 56.93 56.48 2d6m s PHE 59 Cb 0.15 -0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.67 2d6m s PHE 59 CO 0.82 -0.50 0.03 -1.58 -1.46 0.00 0.00 175.22 172.52 2d6m s HIS 60 N 2.41 3.04 -0.21 10.12 5.65 0.79 -0.96 115.29 136.13 2d6m s HIS 60 Ca 0.05 -0.58 -0.01 0.00 0.25 0.00 0.00 55.06 54.77 2d6m s HIS 60 Cb -0.14 -2.18 0.02 0.00 -1.18 0.00 0.00 32.58 29.10 2d6m s HIS 60 CO -0.11 -0.40 -0.13 0.12 -0.65 0.00 0.00 174.74 173.57 2d6m s PHE 61 N 1.50 2.90 -0.37 3.88 5.36 -0.06 -1.70 117.98 129.48 2d6m s PHE 61 Ca 0.06 -1.48 0.01 0.00 -0.96 0.00 0.00 56.93 54.56 2d6m s PHE 61 Cb -0.15 -1.99 0.15 0.00 -0.34 0.00 0.00 43.02 40.69 2d6m s PHE 61 CO 0.01 -0.73 0.25 1.21 -1.46 0.00 0.00 175.22 174.50 2d6m s ASN 62 N 1.34 2.50 0.27 6.13 2.47 0.25 -1.03 114.94 126.87 2d6m s ASN 62 Ca 0.04 -2.45 -0.30 0.00 0.42 0.00 0.00 52.86 50.57 2d6m s ASN 62 Cb -0.14 -0.41 -0.11 0.00 -1.45 0.00 0.00 41.25 39.14 2d6m s ASN 62 CO -0.09 -0.27 1.49 -2.84 -3.72 0.00 0.00 177.10 171.67 2d6m s PRO 63 N 0.77 4.21 -0.14 0.43 0.02 -1.15 -1.40 135.00 137.74 2d6m s PRO 63 Ca 0.22 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 63.64 2d6m s PRO 63 Cb -0.15 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.33 2d6m s PRO 63 CO -0.05 -0.49 -0.04 1.03 -0.33 0.00 0.00 177.00 177.12 2d6m s ARG 64 N -0.54 1.26 -1.16 5.54 0.52 0.53 -2.30 118.95 122.81 2d6m s ARG 64 Ca 0.60 -0.36 -0.07 0.00 -0.52 0.00 0.00 55.73 55.37 2d6m s ARG 64 Cb -0.44 -1.78 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 2d6m s ARG 64 CO 0.46 -0.40 2.90 1.19 0.02 0.00 0.00 175.30 179.47 2d6m n PHE 65 N 4.95 1.98 -4.06 -0.53 3.72 0.49 -1.56 117.46 122.44 2d6m n PHE 65 Ca -0.11 -2.64 -0.11 0.00 -0.05 0.00 0.00 57.45 54.54 2d6m n PHE 65 Cb 0.48 -2.06 -0.11 0.00 -0.94 0.00 0.00 39.48 36.86 2d6m n PHE 65 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2d6m s GLU 66 N 0.68 0.54 -1.52 -1.08 2.02 -1.26 -4.83 118.70 113.24 2d6m s GLU 66 Ca 0.64 -0.89 -0.13 0.00 0.02 0.00 0.00 54.97 54.61 2d6m s GLU 66 Cb 0.22 -0.10 0.08 0.00 0.10 0.00 0.00 34.13 34.44 2d6m s GLU 66 CO -0.08 -0.01 0.99 0.39 0.02 0.00 0.00 175.26 176.58 2d6m n GLU 67 N 1.03 -5.67 0.00 1.61 1.02 -1.26 -0.40 120.64 116.97 2d6m n GLU 67 Ca -0.20 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 2d6m n GLU 67 Cb 0.57 -5.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.48 2d6m n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d6m n GLY 68 N -1.71 2.63 0.00 0.62 0.00 -1.26 -4.81 105.19 100.66 2d6m n GLY 68 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2d6m n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6m n GLY 69 N -2.00 1.65 3.72 -0.02 0.00 0.46 -4.77 105.19 104.24 2d6m n GLY 69 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 2d6m n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d6m s TYR 70 N 0.00 -0.28 -0.09 1.61 -0.85 -0.60 -3.49 117.35 113.65 2d6m s TYR 70 Ca 0.00 -0.09 0.01 0.00 -0.52 0.00 0.00 57.07 56.47 2d6m s TYR 70 Cb 0.00 0.66 0.02 0.00 0.38 0.00 0.00 41.96 43.02 2d6m s TYR 70 CO 0.00 -1.07 -0.11 0.08 -1.52 0.00 0.00 175.55 172.93 2d6m s VAL 71 N -3.78 1.16 -0.14 -3.49 1.01 -0.41 -0.34 120.40 114.41 2d6m s VAL 71 Ca 0.08 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 2d6m s VAL 71 Cb -0.04 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2d6m s VAL 71 CO 0.01 0.38 0.38 -0.69 0.00 0.00 0.00 175.10 175.17 2d6m s VAL 72 N 1.16 5.25 -0.08 2.92 1.01 -0.49 -1.24 120.40 128.92 2d6m s VAL 72 Ca -0.05 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.69 2d6m s VAL 72 Cb -0.14 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2d6m s VAL 72 CO -0.02 0.37 -0.14 0.00 0.00 0.00 0.00 175.10 175.30 2d6m s ASN 74 N -0.26 -0.06 0.03 0.00 3.84 -0.69 -1.24 114.94 116.56 2d6m s ASN 74 Ca 0.02 -0.97 0.05 0.00 0.21 0.00 0.00 52.86 52.17 2d6m s ASN 74 Cb -0.13 0.80 -0.02 0.00 -0.55 0.00 0.00 41.25 41.35 2d6m s ASN 74 CO 0.03 -1.54 -0.15 -0.89 -2.79 0.00 0.00 177.10 171.76 2d6m s THR 75 N -2.95 1.15 -0.12 -5.21 2.01 -1.26 -0.15 115.64 109.11 2d6m s THR 75 Ca 0.15 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2d6m s THR 75 Cb -0.05 -1.02 -0.00 0.00 0.01 0.00 0.00 72.50 71.43 2d6m s THR 75 CO 0.10 0.07 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.16 2d6m s LYS 76 N -1.01 3.17 -0.11 4.92 2.20 0.47 -1.32 119.74 128.06 2d6m s LYS 76 Ca 0.03 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2d6m s LYS 76 Cb -0.07 -2.45 0.02 0.00 -1.51 0.00 0.00 37.83 33.81 2d6m s LYS 76 CO 0.01 0.16 -0.13 -0.65 -0.36 0.00 0.00 175.35 174.38 2d6m s GLN 77 N 0.43 1.97 -1.46 4.03 -0.21 -0.17 -0.84 119.66 123.42 2d6m s GLN 77 Ca -0.14 -0.46 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 2d6m s GLN 77 Cb -0.17 -1.77 0.07 0.00 1.00 0.00 0.00 33.01 32.14 2d6m s GLN 77 CO 0.06 -0.13 0.75 0.09 -2.12 0.00 0.00 175.29 173.94 2d6m n ASN 78 N 4.43 -4.68 0.00 5.90 5.03 -1.10 -0.34 115.26 124.50 2d6m n ASN 78 Ca -0.18 -0.56 0.00 0.00 0.87 0.00 0.00 54.58 54.71 2d6m n ASN 78 Cb 0.51 -3.79 0.00 0.00 -1.02 0.00 0.00 39.78 35.48 2d6m n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2d6m n GLY 79 N -1.49 1.50 3.54 7.41 0.00 -0.08 -5.02 105.19 111.06 2d6m n GLY 79 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2d6m n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d6m s GLN 80 N -0.22 3.78 0.33 1.61 -1.52 0.54 -5.08 119.66 119.10 2d6m s GLN 80 Ca 0.00 -0.45 -0.27 0.00 -1.95 0.00 0.00 55.36 52.69 2d6m s GLN 80 Cb 0.00 -3.06 -0.09 0.00 -0.22 0.00 0.00 33.01 29.64 2d6m s GLN 80 CO 0.00 0.21 1.06 -1.58 -0.25 0.00 0.00 175.29 174.73 2d6m s TRP 81 N 0.48 3.47 0.00 0.91 0.52 -1.26 -1.00 118.94 122.06 2d6m s TRP 81 Ca -0.00 1.70 0.00 0.00 0.02 0.00 0.00 56.10 57.81 2d6m s TRP 81 Cb -0.14 -3.17 0.00 0.00 -1.15 0.00 0.00 33.47 29.02 2d6m s TRP 81 CO 0.02 -0.47 0.00 0.41 0.02 0.00 0.00 176.95 176.93 2d6m n GLY 82 N 0.79 0.56 3.70 0.98 0.00 -0.44 -4.97 105.19 105.81 2d6m n GLY 82 Ca 0.02 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2d6m n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d6m s PRO 83 N -0.49 4.31 0.46 1.61 0.04 -1.26 -4.87 135.00 134.79 2d6m s PRO 83 Ca 0.00 1.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.78 2d6m s PRO 83 Cb 0.00 -3.49 -0.08 0.00 0.04 0.00 0.00 34.50 30.97 2d6m s PRO 83 CO 0.00 -0.51 1.07 -1.21 0.04 0.00 0.00 177.00 176.38 2d6m s GLU 84 N 2.01 3.88 -0.29 4.56 2.02 -1.26 -4.82 118.70 124.80 2d6m s GLU 84 Ca 0.63 1.49 -0.02 0.00 0.02 0.00 0.00 54.97 57.08 2d6m s GLU 84 Cb -0.32 -2.28 0.04 0.00 0.10 0.00 0.00 34.13 31.67 2d6m s GLU 84 CO 0.27 -0.38 -0.00 -1.21 0.02 0.00 0.00 175.26 173.95 2d6m s GLU 85 N -2.92 2.62 -0.25 1.61 2.02 -0.37 -4.99 118.70 116.42 2d6m s GLU 85 Ca 0.64 -1.14 -0.07 0.00 0.02 0.00 0.00 54.97 54.42 2d6m s GLU 85 Cb -0.20 -3.16 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 2d6m s GLU 85 CO 0.25 -0.54 0.07 1.03 0.02 0.00 0.00 175.26 176.09 2d6m s ARG 86 N 1.31 3.61 -0.28 1.61 0.52 -1.26 -0.69 118.95 123.77 2d6m s ARG 86 Ca -0.03 -0.51 -0.15 0.00 -0.52 0.00 0.00 55.73 54.52 2d6m s ARG 86 Cb -0.19 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 2d6m s ARG 86 CO -0.01 -0.21 0.39 0.21 0.02 0.00 0.00 175.30 175.69 2d6m s LYS 87 N 1.61 3.97 -1.30 3.54 2.47 -0.37 -4.94 119.74 124.71 2d6m s LYS 87 Ca 0.06 0.02 -0.06 0.00 -1.56 0.00 0.00 55.97 54.43 2d6m s LYS 87 Cb -0.15 -3.67 0.14 0.00 -1.46 0.00 0.00 37.83 32.69 2d6m s LYS 87 CO 0.04 -0.32 2.25 -1.33 0.16 0.00 0.00 175.35 176.14 2d6m n MET 88 N 5.37 4.45 -3.63 4.03 2.81 -1.26 -1.29 117.12 127.60 2d6m n MET 88 Ca -0.08 -3.55 -0.16 0.00 -1.81 0.00 0.00 57.70 52.10 2d6m n MET 88 Cb 0.50 -2.68 -0.07 0.00 -0.71 0.00 0.00 33.22 30.26 2d6m n MET 88 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2d6m s GLN 89 N -1.04 0.86 -0.30 0.03 0.74 -1.23 -4.94 119.66 113.78 2d6m s GLN 89 Ca 0.50 0.15 0.03 0.00 0.05 0.00 0.00 55.36 56.10 2d6m s GLN 89 Cb 0.17 0.40 0.08 0.00 1.10 0.00 0.00 33.01 34.75 2d6m s GLN 89 CO -0.07 -0.24 -0.02 1.41 -0.55 0.00 0.00 175.29 175.81 2d6m s MET 90 N -1.05 1.81 0.00 1.67 -2.45 -1.26 -3.90 119.30 114.12 2d6m s MET 90 Ca -0.11 -1.59 0.29 0.00 -1.25 0.00 0.00 55.69 53.03 2d6m s MET 90 Cb -0.03 -3.02 1.26 0.00 1.25 0.00 0.00 34.83 34.29 2d6m s MET 90 CO 0.07 -0.76 1.88 -0.35 1.05 0.00 0.00 175.02 176.90 2d6m n PRO 91 N 4.36 0.78 -3.92 4.11 -0.04 -1.26 -4.82 135.00 134.21 2d6m n PRO 91 Ca -0.05 -0.27 -0.32 0.00 -0.04 0.00 0.00 63.50 62.82 2d6m n PRO 91 Cb 0.42 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 2d6m n PRO 91 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2d6m s PHE 92 N -2.41 3.53 -0.07 0.54 0.08 -1.26 -4.94 117.98 113.46 2d6m s PHE 92 Ca 0.31 0.31 0.05 0.00 0.12 0.00 0.00 56.93 57.72 2d6m s PHE 92 Cb 0.20 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 2d6m s PHE 92 CO 0.46 0.62 -0.22 -0.65 -0.10 0.00 0.00 175.22 175.33 2d6m s GLN 93 N -2.15 2.66 0.24 0.44 -0.21 -1.26 -5.10 119.66 114.28 2d6m s GLN 93 Ca 0.30 -0.85 -0.31 0.00 0.02 0.00 0.00 55.36 54.52 2d6m s GLN 93 Cb -0.13 -2.25 -0.13 0.00 1.00 0.00 0.00 33.01 31.50 2d6m s GLN 93 CO 0.22 0.39 1.47 1.63 -2.12 0.00 0.00 175.29 176.88 2d6m n LYS 94 N 2.95 2.20 -0.92 2.91 5.02 -1.26 -1.86 118.16 127.20 2d6m n LYS 94 Ca -0.18 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 2d6m n LYS 94 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 2d6m n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d6m n GLY 95 N 2.31 0.52 3.57 0.72 0.00 0.12 -4.81 105.19 107.63 2d6m n GLY 95 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2d6m n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d6m s MET 96 N -0.46 2.14 0.72 1.61 -1.94 -0.78 -4.84 119.30 115.76 2d6m s MET 96 Ca 0.00 -1.01 -0.15 0.00 -1.71 0.00 0.00 55.69 52.82 2d6m s MET 96 Cb 0.00 -2.30 0.04 0.00 2.01 0.00 0.00 34.83 34.57 2d6m s MET 96 CO 0.00 0.52 1.20 -2.14 -0.01 0.00 0.00 175.02 174.59 2d6m s PRO 97 N -2.10 2.18 0.07 2.03 0.02 -1.26 -2.05 135.00 133.89 2d6m s PRO 97 Ca 0.20 1.75 -0.07 0.00 0.02 0.00 0.00 61.00 62.90 2d6m s PRO 97 Cb -0.11 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 2d6m s PRO 97 CO 0.13 -1.80 0.13 -0.59 -0.33 0.00 0.00 177.00 174.54 2d6m s PHE 98 N -1.99 0.23 -0.13 6.54 -0.12 0.35 -4.89 117.98 117.97 2d6m s PHE 98 Ca 0.74 -0.65 0.03 0.00 -0.05 0.00 0.00 56.93 56.99 2d6m s PHE 98 Cb -0.29 -0.14 0.01 0.00 -0.63 0.00 0.00 43.02 41.97 2d6m s PHE 98 CO 0.45 -0.48 -0.22 -2.00 -0.05 0.00 0.00 175.22 172.92 2d6m s GLU 99 N -3.64 2.99 -0.18 1.99 2.12 -1.26 -1.66 118.70 119.06 2d6m s GLU 99 Ca 0.04 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.52 2d6m s GLU 99 Cb 0.04 -2.37 0.04 0.00 0.26 0.00 0.00 34.13 32.10 2d6m s GLU 99 CO -0.10 0.04 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.38 2d6m s LEU 100 N 0.69 2.04 -0.12 2.70 2.96 0.27 -0.31 118.68 126.91 2d6m s LEU 100 Ca -0.10 -0.76 0.03 0.00 -0.22 0.00 0.00 54.13 53.08 2d6m s LEU 100 Cb -0.16 -1.17 0.00 0.00 0.50 0.00 0.00 46.19 45.36 2d6m s LEU 100 CO 0.01 -0.13 -0.22 0.00 -1.32 0.00 0.00 176.35 174.69 2d6m s PHE 102 N 0.61 3.11 -0.22 0.00 0.08 0.13 -0.85 117.98 120.84 2d6m s PHE 102 Ca -0.12 -0.51 -0.07 0.00 0.12 0.00 0.00 56.93 56.34 2d6m s PHE 102 Cb -0.17 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 2d6m s PHE 102 CO 0.03 -0.40 0.07 -1.17 -0.10 0.00 0.00 175.22 173.65 2d6m s LEU 103 N 1.60 3.61 -0.37 -0.37 2.96 0.31 -0.67 118.68 125.76 2d6m s LEU 103 Ca 0.06 -0.09 -0.23 0.00 -0.22 0.00 0.00 54.13 53.65 2d6m s LEU 103 Cb -0.16 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.59 2d6m s LEU 103 CO 0.04 0.04 0.76 -0.69 -1.32 0.00 0.00 176.35 175.19 2d6m s VAL 104 N 1.14 4.75 0.44 1.68 1.01 -0.17 -1.13 120.40 128.12 2d6m s VAL 104 Ca 0.05 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.92 2d6m s VAL 104 Cb -0.14 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 2d6m s VAL 104 CO 0.03 -0.43 0.28 -1.10 0.00 0.00 0.00 175.10 173.88 2d6m s GLN 105 N 3.05 2.33 0.27 2.72 -0.21 0.34 -0.19 119.66 127.98 2d6m s GLN 105 Ca 0.30 -1.79 -0.04 0.00 0.02 0.00 0.00 55.36 53.85 2d6m s GLN 105 Cb -0.13 -2.12 0.35 0.00 1.00 0.00 0.00 33.01 32.11 2d6m s GLN 105 CO 0.17 -0.24 1.94 -0.09 -2.12 0.00 0.00 175.29 174.95 2d6m h ARG 106 N 1.18 1.19 0.00 2.91 2.43 -1.98 -3.19 114.38 116.92 2d6m h ARG 106 Ca -0.41 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2d6m h ARG 106 Cb 1.27 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2d6m h ARG 106 CO 0.64 0.80 -0.78 -1.13 -1.51 0.00 0.00 179.97 177.99 2d6m n SER 107 N -4.38 0.92 -3.44 -3.80 3.41 -1.26 -4.96 113.62 100.11 2d6m n SER 107 Ca 0.10 -0.61 -0.13 0.00 -0.26 0.00 0.00 58.87 57.97 2d6m n SER 107 Cb 0.04 1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 65.08 2d6m n SER 107 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2d6m s GLU 108 N -2.29 1.25 0.20 4.33 -1.05 -1.21 -2.06 118.70 117.87 2d6m s GLU 108 Ca 0.03 -0.37 -0.22 0.00 -0.15 0.00 0.00 54.97 54.26 2d6m s GLU 108 Cb 0.09 0.58 -0.08 0.00 -0.44 0.00 0.00 34.13 34.27 2d6m s GLU 108 CO 0.50 -0.53 0.74 -0.06 0.95 0.00 0.00 175.26 176.86 2d6m s PHE 109 N -3.40 3.74 -0.11 4.83 0.08 0.17 -0.50 117.98 122.79 2d6m s PHE 109 Ca -0.01 1.47 -0.00 0.00 0.12 0.00 0.00 56.93 58.52 2d6m s PHE 109 Cb -0.01 -2.67 -0.02 0.00 -0.57 0.00 0.00 43.02 39.75 2d6m s PHE 109 CO -0.10 0.41 -0.11 0.15 -0.10 0.00 0.00 175.22 175.47 2d6m s LYS 110 N -1.65 3.22 -0.17 0.44 1.02 -0.28 -1.10 119.74 121.21 2d6m s LYS 110 Ca 0.40 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 2d6m s LYS 110 Cb -0.19 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2d6m s LYS 110 CO 0.23 0.34 -0.13 0.08 -0.92 0.00 0.00 175.35 174.95 2d6m s VAL 111 N 0.03 2.78 -0.12 3.17 1.01 0.22 -0.53 120.40 126.96 2d6m s VAL 111 Ca -0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2d6m s VAL 111 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2d6m s VAL 111 CO 0.04 0.50 0.02 -0.04 0.00 0.00 0.00 175.10 175.61 2d6m s MET 112 N 1.03 3.35 -0.13 2.72 1.00 -0.03 -0.24 119.30 126.99 2d6m s MET 112 Ca -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 55.69 55.31 2d6m s MET 112 Cb -0.15 -2.94 0.02 0.00 0.00 0.00 0.00 34.83 31.76 2d6m s MET 112 CO -0.03 0.54 -0.17 0.08 0.00 0.00 0.00 175.02 175.44 2d6m s VAL 113 N -0.43 1.69 -1.50 -6.03 1.01 0.20 -0.69 120.40 114.66 2d6m s VAL 113 Ca 0.08 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 2d6m s VAL 113 Cb -0.12 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.79 2d6m s VAL 113 CO 0.02 0.48 0.95 0.59 0.00 0.00 0.00 175.10 177.14 2d6m n ASN 114 N 4.30 -5.06 -0.13 3.32 3.02 0.58 -1.66 115.26 119.64 2d6m n ASN 114 Ca -0.19 -0.68 -0.02 0.00 -0.03 0.00 0.00 54.58 53.66 2d6m n ASN 114 Cb 0.51 -4.04 -0.01 0.00 -0.61 0.00 0.00 39.78 35.63 2d6m n ASN 114 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d6m n LYS 115 N -4.61 -0.65 -5.18 3.52 5.02 -1.26 -5.01 118.16 109.99 2d6m n LYS 115 Ca 0.03 0.30 -0.32 0.00 -2.02 0.00 0.00 58.31 56.30 2d6m n LYS 115 Cb 0.54 -3.89 -0.16 0.00 -0.02 0.00 0.00 35.03 31.50 2d6m n LYS 115 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2d6m s LYS 116 N -1.13 2.45 0.22 1.97 1.02 -0.67 -5.08 119.74 118.53 2d6m s LYS 116 Ca 0.00 -0.86 -0.32 0.00 0.02 0.00 0.00 55.97 54.81 2d6m s LYS 116 Cb 0.00 -2.19 -0.13 0.00 -0.52 0.00 0.00 37.83 34.99 2d6m s LYS 116 CO 0.00 0.47 1.56 0.34 -0.92 0.00 0.00 175.35 176.81 2d6m n PHE 117 N 2.70 2.44 -0.01 3.18 7.35 -1.26 -0.63 117.46 131.23 2d6m n PHE 117 Ca -0.17 0.27 -0.05 0.00 -0.76 0.00 0.00 57.45 56.74 2d6m n PHE 117 Cb 0.52 -2.56 -0.02 0.00 0.35 0.00 0.00 39.48 37.78 2d6m n PHE 117 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2d6m n PHE 118 N 2.88 0.00 -3.76 -5.13 7.35 0.66 -4.83 117.46 114.63 2d6m n PHE 118 Ca 0.14 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.71 2d6m n PHE 118 Cb 0.32 -0.19 -0.08 0.00 0.35 0.00 0.00 39.48 39.88 2d6m n PHE 118 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2d6m s VAL 119 N -2.19 0.08 0.14 -2.13 0.11 -1.09 -5.02 120.40 110.31 2d6m s VAL 119 Ca -0.09 -0.66 0.06 0.00 -2.93 0.00 0.00 61.98 58.37 2d6m s VAL 119 Cb 0.02 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2d6m s VAL 119 CO 0.12 -0.36 -0.00 0.00 -3.33 0.00 0.00 175.10 171.52 2d6m s GLN 120 N -2.37 2.45 -0.18 1.54 1.03 -1.26 -0.61 119.66 120.25 2d6m s GLN 120 Ca -0.06 -1.00 -0.04 0.00 0.04 0.00 0.00 55.36 54.29 2d6m s GLN 120 Cb -0.01 -2.43 0.08 0.00 0.03 0.00 0.00 33.01 30.68 2d6m s GLN 120 CO -0.02 0.49 0.17 -0.47 -2.54 0.00 0.00 175.29 172.92 2d6m s TYR 121 N -1.55 -0.12 0.25 9.60 5.04 -0.26 -4.98 117.35 125.33 2d6m s TYR 121 Ca 0.27 0.10 -0.30 0.00 -2.44 0.00 0.00 57.07 54.69 2d6m s TYR 121 Cb -0.10 -0.45 -0.10 0.00 0.35 0.00 0.00 41.96 41.65 2d6m s TYR 121 CO 0.18 -0.54 1.45 -0.65 -1.34 0.00 0.00 175.55 174.66 2d6m s GLN 122 N 2.26 4.26 0.12 4.97 -1.52 -1.26 -0.66 119.66 127.83 2d6m s GLN 122 Ca 0.05 2.32 -0.31 0.00 -1.95 0.00 0.00 55.36 55.47 2d6m s GLN 122 Cb -0.15 -3.10 -0.10 0.00 -0.22 0.00 0.00 33.01 29.43 2d6m s GLN 122 CO -0.10 -0.43 1.83 -1.01 -0.25 0.00 0.00 175.29 175.32 2d6m s HIS 123 N -0.01 2.13 -0.07 0.91 3.76 -0.88 -4.88 115.29 116.25 2d6m s HIS 123 Ca 0.60 -0.02 0.22 0.00 -0.15 0.00 0.00 55.06 55.70 2d6m s HIS 123 Cb -0.42 -4.17 -0.28 0.00 1.11 0.00 0.00 32.58 28.81 2d6m s HIS 123 CO 0.44 -4.84 0.52 0.54 -0.85 0.00 0.00 174.74 170.55 2d6m n ARG 124 N 5.74 0.65 -4.14 1.40 1.74 -1.26 -4.95 116.66 115.83 2d6m n ARG 124 Ca 0.18 -0.13 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 2d6m n ARG 124 Cb 0.38 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 2d6m n ARG 124 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2d6m s VAL 125 N -3.38 0.49 0.21 1.55 -7.23 -1.26 -5.12 120.40 105.65 2d6m s VAL 125 Ca -0.07 -1.89 -0.32 0.00 -1.81 0.00 0.00 61.98 57.89 2d6m s VAL 125 Cb 0.13 -1.66 -0.12 0.00 0.56 0.00 0.00 36.38 35.29 2d6m s VAL 125 CO 0.88 -0.89 1.69 -2.84 -0.31 0.00 0.00 175.10 173.64 2d6m s PRO 126 N -3.88 4.14 0.51 4.82 0.02 -1.26 -4.87 135.00 134.48 2d6m s PRO 126 Ca 0.11 2.57 0.30 0.00 0.02 0.00 0.00 61.00 64.01 2d6m s PRO 126 Cb 0.06 -3.08 1.07 0.00 0.02 0.00 0.00 34.50 32.58 2d6m s PRO 126 CO -0.06 -0.72 1.88 0.10 -0.33 0.00 0.00 177.00 177.87 2d6m h TYR 127 N 6.56 0.00 0.00 6.54 -0.00 -1.96 -3.13 116.97 124.98 2d6m h TYR 127 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 2d6m h TYR 127 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 2d6m h TYR 127 CO 0.63 0.02 0.00 1.25 -0.00 0.00 0.00 178.16 180.07 2d6m h HIS 128 N 0.00 0.00 0.00 0.10 2.76 -1.90 -1.33 115.15 114.78 2d6m h HIS 128 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2d6m h HIS 128 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2d6m h HIS 128 CO 0.00 0.00 0.00 1.28 -1.30 0.00 0.00 177.93 177.91 2d6m n LEU 129 N -2.37 0.33 -4.62 0.26 4.77 -1.18 -4.33 117.00 109.85 2d6m n LEU 129 Ca 0.01 0.54 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 2d6m n LEU 129 Cb 0.22 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 2d6m n LEU 129 CO 0.20 -0.13 1.23 -0.69 -1.33 0.00 0.00 177.39 176.67 2d6m s VAL 130 N -3.06 3.94 -0.01 4.08 1.01 -0.50 -4.34 120.40 121.51 2d6m s VAL 130 Ca 0.11 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.15 2d6m s VAL 130 Cb 0.15 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.51 2d6m s VAL 130 CO 0.51 -0.51 0.94 -0.90 0.00 0.00 0.00 175.10 175.14 2d6m n ASP 131 N 8.27 1.70 -3.78 3.32 5.68 -0.89 -1.45 116.55 129.41 2d6m n ASP 131 Ca 0.16 -1.98 -0.13 0.00 -0.50 0.00 0.00 54.79 52.35 2d6m n ASP 131 Cb 0.47 -0.05 -0.14 0.00 -1.14 0.00 0.00 41.12 40.26 2d6m n ASP 131 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2d6m s THR 132 N -1.04 -0.03 -0.07 2.12 2.01 -0.89 -0.55 115.64 117.19 2d6m s THR 132 Ca 0.04 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.16 2d6m s THR 132 Cb 0.03 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 2d6m s THR 132 CO 0.00 0.04 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.38 2d6m s ILE 133 N 0.74 3.58 -0.07 1.82 2.07 -0.19 -1.23 121.20 127.91 2d6m s ILE 133 Ca -0.05 -0.52 0.01 0.00 -1.41 0.00 0.00 60.65 58.67 2d6m s ILE 133 Cb -0.07 -2.45 0.02 0.00 0.13 0.00 0.00 42.46 40.08 2d6m s ILE 133 CO -0.04 0.60 -0.08 0.00 -1.91 0.00 0.00 174.94 173.51 2d6m s ALA 134 N -0.77 1.05 -0.08 1.50 0.00 -0.23 -1.60 121.76 121.63 2d6m s ALA 134 Ca 0.12 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.80 2d6m s ALA 134 Cb -0.11 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.39 2d6m s ALA 134 CO 0.01 -0.10 -0.19 0.08 0.00 0.00 0.00 175.76 175.57 2d6m s VAL 135 N 1.10 1.65 0.16 0.00 1.01 0.10 -0.69 120.40 123.72 2d6m s VAL 135 Ca -0.07 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 2d6m s VAL 135 Cb -0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2d6m s VAL 135 CO -0.01 0.47 0.22 -0.94 0.00 0.00 0.00 175.10 174.84 2d6m s SER 136 N 0.46 0.11 0.00 3.32 1.04 -0.61 -0.70 113.70 117.32 2d6m s SER 136 Ca -0.16 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2d6m s SER 136 Cb -0.17 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2d6m s SER 136 CO 0.06 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2d6m n GLY 137 N -0.18 -0.44 2.65 7.32 0.00 -1.26 -1.01 105.19 112.26 2d6m n GLY 137 Ca -0.07 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 2d6m n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d6m s LEU 139 N -1.54 0.39 0.14 0.00 2.34 -1.26 -1.76 118.68 116.99 2d6m s LEU 139 Ca 0.47 -0.66 0.06 0.00 0.06 0.00 0.00 54.13 54.06 2d6m s LEU 139 Cb 0.15 1.80 -0.04 0.00 -0.56 0.00 0.00 46.19 47.54 2d6m s LEU 139 CO -0.05 -1.01 -0.13 -1.59 -1.06 0.00 0.00 176.35 172.50 2d6m s LYS 140 N -3.92 1.06 -0.05 1.48 -2.85 -0.62 -4.86 119.74 109.99 2d6m s LYS 140 Ca 0.13 -1.32 0.05 0.00 -1.00 0.00 0.00 55.97 53.84 2d6m s LYS 140 Cb 0.00 -0.88 -0.01 0.00 -2.06 0.00 0.00 37.83 34.89 2d6m s LYS 140 CO -0.01 0.16 -0.20 -0.51 0.10 0.00 0.00 175.35 174.89 2d6m s LEU 141 N -2.68 1.99 0.04 2.77 1.43 -1.26 -1.23 118.68 119.74 2d6m s LEU 141 Ca 0.12 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2d6m s LEU 141 Cb -0.03 -1.13 -0.25 0.00 0.03 0.00 0.00 46.19 44.80 2d6m s LEU 141 CO 0.03 0.20 0.98 0.77 0.23 0.00 0.00 176.35 178.56 2d6m h SER 142 N 6.12 0.24 -4.95 2.29 4.64 -0.87 -3.36 113.55 117.67 2d6m h SER 142 Ca -0.33 -0.31 0.12 0.00 -0.47 0.00 0.00 61.79 60.80 2d6m h SER 142 Cb 1.17 -0.08 -0.12 0.00 -0.31 0.00 0.00 62.40 63.07 2d6m h SER 142 CO 0.47 1.25 0.46 0.72 -0.87 0.00 0.00 176.83 178.87 2d6m s PHE 143 N -2.64 -0.28 -0.12 4.77 -0.12 -1.12 -0.67 117.98 117.80 2d6m s PHE 143 Ca -0.05 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 56.89 2d6m s PHE 143 Cb 0.08 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 43.07 2d6m s PHE 143 CO 0.84 -0.70 -0.13 0.42 -0.05 0.00 0.00 175.22 175.60 2d6m s ILE 144 N -3.27 1.41 0.19 -4.49 1.01 0.35 -1.54 121.20 114.87 2d6m s ILE 144 Ca 0.08 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.24 2d6m s ILE 144 Cb -0.01 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2d6m s ILE 144 CO -0.05 0.43 0.01 0.42 0.00 0.00 0.00 174.94 175.75 2d6m s THR 145 N 1.34 3.73 -0.18 2.92 -4.23 -0.29 -0.93 115.64 118.00 2d6m s THR 145 Ca 0.00 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2d6m s THR 145 Cb -0.14 -2.89 0.04 0.00 1.34 0.00 0.00 72.50 70.85 2d6m s THR 145 CO -0.07 -0.15 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.41 2d6m s PHE 146 N -1.81 2.18 0.06 3.99 0.08 -1.26 -0.73 117.98 120.49 2d6m s PHE 146 Ca 0.28 -1.40 0.01 0.00 0.12 0.00 0.00 56.93 55.93 2d6m s PHE 146 Cb -0.09 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 2d6m s PHE 146 CO 0.19 -0.70 -0.05 -0.65 -0.10 0.00 0.00 175.22 173.91 2d6m s GLN 147 N 1.47 0.63 0.03 0.44 -0.21 -0.06 -0.28 119.66 121.70 2d6m s GLN 147 Ca 0.00 -1.11 -0.02 0.00 0.02 0.00 0.00 55.36 54.26 2d6m s GLN 147 Cb -0.16 -0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.81 2d6m s GLN 147 CO -0.08 -0.05 -0.00 -0.08 -2.12 0.00 0.00 175.29 172.96 2d6m s THR 148 N -3.11 0.15 -2.00 -0.19 -1.32 -0.31 -0.35 115.64 108.51 2d6m s THR 148 Ca 0.03 -1.26 0.19 0.00 -1.21 0.00 0.00 61.69 59.44 2d6m s THR 148 Cb 0.02 -0.83 0.54 0.00 -1.51 0.00 0.00 72.50 70.72 2d6m s THR 148 CO -0.05 -0.70 1.53 0.00 -2.21 0.00 0.00 174.62 173.18