#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d6n n SER 0 N 0.00 0.00 -4.02 1.61 3.41 -1.26 -4.77 113.62 108.59 2d6n n SER 0 Ca 0.00 0.29 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 2d6n n SER 0 Cb 0.00 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.40 2d6n n SER 0 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2d6n s MET 1 N -2.85 0.49 0.21 4.33 -1.94 -1.26 -5.13 119.30 113.16 2d6n s MET 1 Ca 0.18 -0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 53.33 2d6n s MET 1 Cb 0.18 -0.35 -0.10 0.00 2.01 0.00 0.00 34.83 36.58 2d6n s MET 1 CO 0.47 0.08 1.43 0.00 -0.01 0.00 0.00 175.02 176.99 2d6n s ALA 2 N -0.86 3.63 -0.01 3.03 0.00 -1.26 -5.02 121.76 121.27 2d6n s ALA 2 Ca -0.05 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.25 2d6n s ALA 2 Cb -0.07 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2d6n s ALA 2 CO 0.00 -0.69 -0.22 -0.51 0.00 0.00 0.00 175.76 174.34 2d6n s LEU 3 N 0.09 2.07 0.02 0.00 1.43 -1.26 -4.46 118.68 116.56 2d6n s LEU 3 Ca 0.61 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 2d6n s LEU 3 Cb -0.40 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 2d6n s LEU 3 CO 0.39 0.25 -0.22 -0.36 0.23 0.00 0.00 176.35 176.64 2d6n s PHE 4 N -0.56 1.92 0.38 0.29 0.08 -0.28 -4.94 117.98 114.87 2d6n s PHE 4 Ca 0.08 -0.37 -0.28 0.00 0.12 0.00 0.00 56.93 56.49 2d6n s PHE 4 Cb -0.08 -1.19 -0.10 0.00 -0.57 0.00 0.00 43.02 41.08 2d6n s PHE 4 CO -0.00 0.04 1.42 -1.12 -0.10 0.00 0.00 175.22 175.46 2d6n s SER 5 N -0.87 6.35 -0.12 1.36 0.01 -1.26 -1.46 113.70 117.71 2d6n s SER 5 Ca 0.08 2.91 0.11 0.00 1.31 0.00 0.00 55.95 60.37 2d6n s SER 5 Cb -0.09 -2.66 -0.16 0.00 0.21 0.00 0.00 66.02 63.32 2d6n s SER 5 CO 0.01 -0.85 0.06 0.00 0.41 0.00 0.00 173.24 172.86 2d6n n ALA 6 N 0.38 1.72 -3.27 1.44 0.00 0.98 -4.81 120.51 116.96 2d6n n ALA 6 Ca 0.02 -0.82 -0.14 0.00 0.00 0.00 0.00 53.44 52.50 2d6n n ALA 6 Cb 0.41 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 2d6n n ALA 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2d6n s GLN 7 N -2.34 0.62 0.67 0.00 0.74 -1.25 -5.04 119.66 113.08 2d6n s GLN 7 Ca -0.06 0.09 -0.17 0.00 0.05 0.00 0.00 55.36 55.26 2d6n s GLN 7 Cb 0.04 0.29 -0.01 0.00 1.10 0.00 0.00 33.01 34.43 2d6n s GLN 7 CO 0.53 -0.15 1.12 0.43 -0.55 0.00 0.00 175.29 176.67 2d6n n SER 8 N 1.79 1.26 -4.76 6.67 7.64 -1.26 -4.22 113.62 120.74 2d6n n SER 8 Ca -0.19 0.76 -0.33 0.00 1.01 0.00 0.00 58.87 60.12 2d6n n SER 8 Cb 0.56 -1.48 0.06 0.00 -1.01 0.00 0.00 64.21 62.35 2d6n n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2d6n s PRO 9 N -3.29 2.67 -0.40 1.43 0.04 -1.26 -4.80 135.00 129.38 2d6n s PRO 9 Ca 0.78 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 63.04 2d6n s PRO 9 Cb -0.37 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.25 2d6n s PRO 9 CO 0.45 -1.36 0.66 0.71 0.04 0.00 0.00 177.00 177.49 2d6n s TYR 10 N -2.32 3.10 -0.17 0.56 1.51 -0.18 -4.95 117.35 114.89 2d6n s TYR 10 Ca 0.68 0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 56.81 2d6n s TYR 10 Cb -0.21 -3.28 -0.05 0.00 -0.11 0.00 0.00 41.96 38.31 2d6n s TYR 10 CO 0.43 -0.76 0.15 0.42 -1.11 0.00 0.00 175.55 174.68 2d6n s ILE 11 N 2.82 5.42 -1.34 2.71 1.01 -1.26 -0.64 121.20 129.93 2d6n s ILE 11 Ca 0.24 0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.93 2d6n s ILE 11 Cb -0.14 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.88 2d6n s ILE 11 CO 0.17 0.48 0.45 0.59 0.00 0.00 0.00 174.94 176.63 2d6n n ASN 12 N 3.11 -2.24 -4.76 3.58 5.03 0.39 -4.89 115.26 115.47 2d6n n ASN 12 Ca -0.17 -1.25 -0.41 0.00 0.87 0.00 0.00 54.58 53.63 2d6n n ASN 12 Cb 0.53 -1.88 -0.03 0.00 -1.02 0.00 0.00 39.78 37.38 2d6n n ASN 12 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2d6n s PRO 13 N -7.26 4.45 0.02 3.52 0.04 -1.26 -4.95 135.00 129.56 2d6n s PRO 13 Ca 0.29 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 2d6n s PRO 13 Cb -0.15 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2d6n s PRO 13 CO 0.97 -0.06 0.97 0.42 0.04 0.00 0.00 177.00 179.33 2d6n s ILE 14 N -1.04 4.80 -0.00 0.56 1.01 -1.26 -4.49 121.20 120.78 2d6n s ILE 14 Ca 0.48 2.04 -0.24 0.00 0.00 0.00 0.00 60.65 62.94 2d6n s ILE 14 Cb -0.37 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 2d6n s ILE 14 CO 0.48 0.20 0.71 -0.63 0.00 0.00 0.00 174.94 175.70 2d6n s ILE 15 N 0.79 4.88 0.30 2.92 -1.09 -1.26 -3.06 121.20 124.68 2d6n s ILE 15 Ca 0.50 1.50 -0.29 0.00 -2.23 0.00 0.00 60.65 60.13 2d6n s ILE 15 Cb -0.21 -4.06 -0.10 0.00 -1.58 0.00 0.00 42.46 36.51 2d6n s ILE 15 CO 0.28 0.33 1.13 -2.16 -1.23 0.00 0.00 174.94 173.30 2d6n s PRO 16 N 0.22 4.53 -0.05 2.79 0.04 -1.26 -4.99 135.00 136.28 2d6n s PRO 16 Ca 0.37 1.86 0.06 0.00 0.04 0.00 0.00 61.00 63.33 2d6n s PRO 16 Cb -0.19 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 2d6n s PRO 16 CO 0.20 0.09 -0.24 0.12 0.04 0.00 0.00 177.00 177.21 2d6n s PHE 17 N -1.20 2.33 -0.04 0.56 5.36 0.12 -4.97 117.98 120.13 2d6n s PHE 17 Ca 0.47 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 2d6n s PHE 17 Cb -0.33 -1.53 0.02 0.00 -0.34 0.00 0.00 43.02 40.85 2d6n s PHE 17 CO 0.42 -0.20 -0.02 0.99 -1.46 0.00 0.00 175.22 174.96 2d6n s THR 18 N -0.18 0.36 0.22 0.12 2.01 -1.26 0.10 115.64 117.01 2d6n s THR 18 Ca -0.02 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.77 2d6n s THR 18 Cb -0.13 -0.43 0.04 0.00 0.01 0.00 0.00 72.50 71.98 2d6n s THR 18 CO 0.03 0.20 0.63 -0.83 -0.69 0.00 0.00 174.62 173.96 2d6n s GLY 19 N 1.11 -0.25 0.49 4.40 0.00 -0.38 -5.00 107.32 107.69 2d6n s GLY 19 Ca -0.08 -0.04 -0.22 0.00 0.00 0.00 0.00 44.72 44.37 2d6n s GLY 19 CO -0.01 -0.06 1.22 2.56 0.00 0.00 0.00 173.10 176.80 2d6n s PRO 20 N -3.86 3.57 -0.51 2.90 0.04 -1.26 -0.92 135.00 134.96 2d6n s PRO 20 Ca 0.08 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 2d6n s PRO 20 Cb -0.03 -2.35 0.13 0.00 0.04 0.00 0.00 34.50 32.29 2d6n s PRO 20 CO -0.02 -0.74 0.39 0.42 0.04 0.00 0.00 177.00 177.10 2d6n s ILE 21 N -1.49 4.29 -0.03 0.56 1.01 0.85 -4.75 121.20 121.65 2d6n s ILE 21 Ca 0.66 -1.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 2d6n s ILE 21 Cb -0.32 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 2d6n s ILE 21 CO 0.38 -0.81 1.76 -1.10 0.00 0.00 0.00 174.94 175.17 2d6n s GLN 22 N 1.14 4.14 0.00 2.79 -0.21 -1.26 -1.11 119.66 125.15 2d6n s GLN 22 Ca 0.08 2.30 0.00 0.00 0.02 0.00 0.00 55.36 57.75 2d6n s GLN 22 Cb -0.25 -4.05 0.00 0.00 1.00 0.00 0.00 33.01 29.72 2d6n s GLN 22 CO -0.02 -0.92 0.00 0.41 -2.12 0.00 0.00 175.29 172.65 2d6n n GLY 23 N 4.30 0.92 0.00 3.09 0.00 -1.26 -4.90 105.19 107.34 2d6n n GLY 23 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2d6n n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6n n GLY 24 N -2.00 -1.26 3.76 -0.02 0.00 -0.27 -4.91 105.19 100.50 2d6n n GLY 24 Ca 0.00 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 2d6n n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d6n s LEU 25 N -3.11 4.07 0.04 0.99 1.43 -0.58 -5.00 118.68 116.52 2d6n s LEU 25 Ca 0.00 2.74 0.06 0.00 -1.03 0.00 0.00 54.13 55.90 2d6n s LEU 25 Cb 0.00 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 2d6n s LEU 25 CO 0.00 -1.14 -0.17 0.00 0.23 0.00 0.00 176.35 175.27 2d6n s GLN 26 N -2.52 1.10 0.18 1.70 -2.07 -1.26 -4.20 119.66 112.60 2d6n s GLN 26 Ca 0.62 -0.85 -0.33 0.00 -1.82 0.00 0.00 55.36 52.99 2d6n s GLN 26 Cb -0.40 -1.17 -0.14 0.00 -1.09 0.00 0.00 33.01 30.22 2d6n s GLN 26 CO 0.50 0.29 1.44 -1.91 -1.32 0.00 0.00 175.29 174.29 2d6n n GLU 27 N 1.83 1.86 -0.11 9.60 2.13 -1.26 -1.47 120.64 133.21 2d6n n GLU 27 Ca -0.18 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.31 2d6n n GLU 27 Cb 0.54 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.90 2d6n n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d6n n GLY 28 N 2.68 1.26 3.74 8.31 0.00 0.14 -5.02 105.19 116.30 2d6n n GLY 28 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2d6n n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d6n s LEU 29 N 0.00 4.48 -0.20 0.99 2.96 -0.54 -4.43 118.68 121.94 2d6n s LEU 29 Ca 0.00 2.22 -0.03 0.00 -0.22 0.00 0.00 54.13 56.10 2d6n s LEU 29 Cb 0.00 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 2d6n s LEU 29 CO 0.00 -0.28 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.59 2d6n s GLN 30 N -0.61 3.39 -0.32 1.98 -0.21 0.11 -1.08 119.66 122.92 2d6n s GLN 30 Ca 0.50 -0.63 -0.09 0.00 0.02 0.00 0.00 55.36 55.16 2d6n s GLN 30 Cb -0.32 -2.94 0.01 0.00 1.00 0.00 0.00 33.01 30.76 2d6n s GLN 30 CO 0.38 -0.11 0.13 0.08 -2.12 0.00 0.00 175.29 173.65 2d6n s VAL 31 N 1.23 4.30 -0.14 1.09 1.01 0.17 -1.40 120.40 126.67 2d6n s VAL 31 Ca 0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2d6n s VAL 31 Cb -0.14 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2d6n s VAL 31 CO -0.02 0.01 -0.12 -0.89 0.00 0.00 0.00 175.10 174.08 2d6n s THR 32 N 1.55 3.12 -0.23 3.92 2.01 -0.28 -0.57 115.64 125.15 2d6n s THR 32 Ca 0.03 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 2d6n s THR 32 Cb -0.18 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2d6n s THR 32 CO 0.05 0.52 0.04 -0.76 -0.69 0.00 0.00 174.62 173.77 2d6n s LEU 33 N 0.43 3.32 -0.20 4.42 1.02 0.16 -1.02 118.68 126.81 2d6n s LEU 33 Ca -0.09 -0.23 -0.05 0.00 0.02 0.00 0.00 54.13 53.78 2d6n s LEU 33 Cb -0.16 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 2d6n s LEU 33 CO 0.05 -0.00 0.00 -1.58 0.02 0.00 0.00 176.35 174.84 2d6n s GLN 34 N 1.41 3.63 0.00 1.70 2.00 -0.55 -0.32 119.66 127.54 2d6n s GLN 34 Ca 0.05 -0.51 0.00 0.00 -2.00 0.00 0.00 55.36 52.90 2d6n s GLN 34 Cb -0.15 -3.08 0.00 0.00 0.80 0.00 0.00 33.01 30.58 2d6n s GLN 34 CO 0.02 0.03 0.00 0.41 -0.50 0.00 0.00 175.29 175.25 2d6n n GLY 35 N 4.20 2.08 2.79 2.59 0.00 -0.78 -0.30 105.19 115.77 2d6n n GLY 35 Ca -0.17 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 2d6n n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d6n s THR 36 N -2.63 0.01 0.11 2.61 2.01 -0.11 -0.86 115.64 116.77 2d6n s THR 36 Ca 0.00 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 2d6n s THR 36 Cb 0.00 -0.13 -0.07 0.00 0.01 0.00 0.00 72.50 72.32 2d6n s THR 36 CO 0.00 0.10 1.21 -0.89 -0.69 0.00 0.00 174.62 174.35 2d6n s THR 37 N 1.01 3.83 0.79 -0.82 2.01 -1.05 -1.39 115.64 120.02 2d6n s THR 37 Ca -0.09 1.38 -0.14 0.00 0.31 0.00 0.00 61.69 63.16 2d6n s THR 37 Cb -0.13 -3.89 0.07 0.00 0.01 0.00 0.00 72.50 68.57 2d6n s THR 37 CO -0.03 0.15 1.21 -0.54 -0.69 0.00 0.00 174.62 174.72 2d6n s LYS 38 N 0.63 1.75 0.45 4.92 1.02 -0.87 -0.27 119.74 127.36 2d6n s LYS 38 Ca 0.57 1.77 0.17 0.00 0.02 0.00 0.00 55.97 58.50 2d6n s LYS 38 Cb -0.31 -1.79 1.06 0.00 -0.52 0.00 0.00 37.83 36.28 2d6n s LYS 38 CO 0.32 -2.14 1.98 0.77 -0.92 0.00 0.00 175.35 175.36 2d6n h SER 39 N -0.76 0.00 -1.14 2.83 0.02 -1.90 -2.54 113.55 110.05 2d6n h SER 39 Ca -0.47 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.96 2d6n h SER 39 Cb 1.30 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 63.42 2d6n h SER 39 CO 0.47 0.20 -0.85 0.49 -1.14 0.00 0.00 176.83 176.00 2d6n n PHE 40 N -4.12 2.77 -1.64 3.45 3.01 -1.26 -4.44 117.46 115.23 2d6n n PHE 40 Ca -0.02 -2.74 -0.44 0.00 1.01 0.00 0.00 57.45 55.26 2d6n n PHE 40 Cb 0.27 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 2d6n n PHE 40 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2d6n n ALA 41 N -0.50 0.54 -0.11 4.37 0.00 -1.02 -4.94 120.51 118.85 2d6n n ALA 41 Ca 0.34 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.97 2d6n n ALA 41 Cb 0.78 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 2d6n n ALA 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2d6n n GLN 42 N 1.01 0.52 -3.77 0.00 1.13 -1.26 -4.68 117.38 110.33 2d6n n GLN 42 Ca 0.09 0.22 -0.10 0.00 -1.94 0.00 0.00 57.00 55.27 2d6n n GLN 42 Cb 0.33 -1.39 -0.06 0.00 0.11 0.00 0.00 30.24 29.23 2d6n n GLN 42 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2d6n s ARG 43 N -2.60 0.92 0.16 -1.09 0.52 -1.26 -0.36 118.95 115.23 2d6n s ARG 43 Ca -0.32 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.02 2d6n s ARG 43 Cb 0.10 0.39 -0.03 0.00 0.52 0.00 0.00 34.95 35.93 2d6n s ARG 43 CO 0.43 -0.32 0.17 -0.59 0.02 0.00 0.00 175.30 175.01 2d6n s PHE 44 N -3.69 0.70 -0.01 -0.53 -0.12 -0.88 -0.95 117.98 112.49 2d6n s PHE 44 Ca 0.03 -1.05 0.01 0.00 -0.05 0.00 0.00 56.93 55.86 2d6n s PHE 44 Cb 0.03 -0.30 0.01 0.00 -0.63 0.00 0.00 43.02 42.13 2d6n s PHE 44 CO -0.11 -0.63 -0.02 0.08 -0.05 0.00 0.00 175.22 174.50 2d6n s VAL 45 N -4.03 0.21 -0.18 -2.49 1.01 0.39 -3.20 120.40 112.11 2d6n s VAL 45 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2d6n s VAL 45 Cb 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.22 2d6n s VAL 45 CO 0.03 0.10 -0.18 -0.69 0.00 0.00 0.00 175.10 174.36 2d6n s VAL 46 N 0.42 2.21 -0.13 2.92 1.01 0.04 -1.28 120.40 125.60 2d6n s VAL 46 Ca -0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 2d6n s VAL 46 Cb -0.07 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2d6n s VAL 46 CO -0.01 0.53 -0.13 0.20 0.00 0.00 0.00 175.10 175.69 2d6n s ASN 47 N 1.31 4.02 -0.35 3.32 0.02 0.13 -1.06 114.94 122.34 2d6n s ASN 47 Ca 0.05 -0.32 -0.10 0.00 -1.02 0.00 0.00 52.86 51.46 2d6n s ASN 47 Cb -0.13 -1.61 0.02 0.00 0.02 0.00 0.00 41.25 39.55 2d6n s ASN 47 CO -0.12 0.17 0.18 -0.36 0.02 0.00 0.00 177.10 176.99 2d6n s PHE 48 N 0.34 3.22 0.19 2.20 0.08 0.46 -0.96 117.98 123.51 2d6n s PHE 48 Ca -0.11 -0.83 0.02 0.00 0.12 0.00 0.00 56.93 56.13 2d6n s PHE 48 Cb -0.16 -2.40 -0.05 0.00 -0.57 0.00 0.00 43.02 39.84 2d6n s PHE 48 CO 0.06 -0.58 0.02 1.14 -0.10 0.00 0.00 175.22 175.76 2d6n s GLN 49 N 1.57 1.19 -0.43 0.44 -2.07 0.05 -1.25 119.66 119.16 2d6n s GLN 49 Ca 0.03 -1.59 -0.14 0.00 -1.82 0.00 0.00 55.36 51.84 2d6n s GLN 49 Cb -0.18 -0.29 0.05 0.00 -1.09 0.00 0.00 33.01 31.50 2d6n s GLN 49 CO 0.06 -0.16 0.32 1.21 -1.32 0.00 0.00 175.29 175.40 2d6n s ASN 50 N -3.21 6.00 0.12 12.60 3.84 -0.34 -1.93 114.94 132.03 2d6n s ASN 50 Ca 0.27 -1.18 0.00 0.00 0.21 0.00 0.00 52.86 52.17 2d6n s ASN 50 Cb 0.06 -2.13 0.00 0.00 -0.55 0.00 0.00 41.25 38.64 2d6n s ASN 50 CO 0.06 -0.53 0.00 -1.54 -2.79 0.00 0.00 177.10 172.30 2d6n n SER 51 N 5.12 -2.30 0.32 -4.21 3.41 -1.26 -4.55 113.62 110.15 2d6n n SER 51 Ca -0.12 0.26 0.21 0.00 -0.26 0.00 0.00 58.87 58.96 2d6n n SER 51 Cb 0.45 -1.23 1.04 0.00 -0.26 0.00 0.00 64.21 64.21 2d6n n SER 51 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2d6n h PHE 52 N -0.37 0.00 -0.27 7.33 -5.15 -1.97 -3.35 116.94 113.15 2d6n h PHE 52 Ca -0.02 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.72 2d6n h PHE 52 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.52 2d6n h PHE 52 CO -0.10 0.00 0.07 -0.97 -2.00 0.00 0.00 178.31 175.31 2d6n h ASN 53 N 0.00 0.42 0.00 -0.68 -1.24 -1.97 -3.47 115.58 108.63 2d6n h ASN 53 Ca -0.00 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 56.78 2d6n h ASN 53 Cb 0.17 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.11 2d6n h ASN 53 CO 0.00 0.54 0.00 0.61 -1.29 0.00 0.00 177.43 177.29 2d6n n GLY 54 N -0.54 0.77 0.13 1.57 0.00 -1.26 -4.92 105.19 100.94 2d6n n GLY 54 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2d6n n GLY 54 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d6n h ASN 55 N 0.00 0.00 -3.60 1.61 2.35 -1.92 -3.40 115.58 110.62 2d6n h ASN 55 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 2d6n h ASN 55 Cb 0.00 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 37.97 2d6n h ASN 55 CO 0.00 0.64 -0.73 -1.81 -1.65 0.00 0.00 177.43 173.87 2d6n s ASP 56 N -6.67 4.57 -0.35 5.81 1.01 -1.26 -0.82 116.67 118.95 2d6n s ASP 56 Ca 0.00 -1.97 -0.03 0.00 0.71 0.00 0.00 52.55 51.26 2d6n s ASP 56 Cb 0.11 -1.47 0.07 0.00 1.01 0.00 0.00 42.92 42.65 2d6n s ASP 56 CO 0.76 -0.37 0.10 -0.63 0.21 0.00 0.00 175.17 175.24 2d6n s ILE 57 N 1.07 3.28 0.23 0.77 1.01 -0.23 -1.20 121.20 126.12 2d6n s ILE 57 Ca 0.09 -1.58 -0.08 0.00 0.00 0.00 0.00 60.65 59.08 2d6n s ILE 57 Cb -0.19 -3.02 0.19 0.00 0.01 0.00 0.00 42.46 39.45 2d6n s ILE 57 CO -0.11 -0.34 1.86 0.00 0.00 0.00 0.00 174.94 176.35 2d6n h ALA 58 N 8.07 1.07 -2.52 9.38 0.00 -1.41 -0.35 119.26 133.50 2d6n h ALA 58 Ca -0.19 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.46 2d6n h ALA 58 Cb 1.06 -0.26 -0.33 0.00 0.00 0.00 0.00 17.79 18.26 2d6n h ALA 58 CO 0.61 0.31 -0.55 0.12 0.00 0.00 0.00 179.25 179.74 2d6n s PHE 59 N -6.10 -0.46 -0.30 0.00 5.36 -1.11 -4.46 117.98 110.91 2d6n s PHE 59 Ca -0.13 0.66 -0.09 0.00 -0.96 0.00 0.00 56.93 56.42 2d6n s PHE 59 Cb 0.17 -0.14 -0.00 0.00 -0.34 0.00 0.00 43.02 42.70 2d6n s PHE 59 CO 0.78 -0.53 0.13 -1.58 -1.46 0.00 0.00 175.22 172.56 2d6n s HIS 60 N 2.41 3.17 -0.24 10.12 5.65 0.35 -0.41 115.29 136.34 2d6n s HIS 60 Ca 0.06 -0.67 -0.02 0.00 0.25 0.00 0.00 55.06 54.68 2d6n s HIS 60 Cb -0.14 -2.33 0.02 0.00 -1.18 0.00 0.00 32.58 28.95 2d6n s HIS 60 CO -0.12 -0.48 -0.06 0.12 -0.65 0.00 0.00 174.74 173.55 2d6n s PHE 61 N 1.59 3.04 -0.43 3.88 5.36 -0.22 -1.92 117.98 129.27 2d6n s PHE 61 Ca 0.04 -1.44 0.03 0.00 -0.96 0.00 0.00 56.93 54.60 2d6n s PHE 61 Cb -0.17 -2.07 0.16 0.00 -0.34 0.00 0.00 43.02 40.60 2d6n s PHE 61 CO 0.05 -0.70 0.32 1.21 -1.46 0.00 0.00 175.22 174.64 2d6n s ASN 62 N 1.35 2.18 0.24 6.13 2.47 0.65 -0.78 114.94 127.19 2d6n s ASN 62 Ca 0.01 -2.93 -0.31 0.00 0.42 0.00 0.00 52.86 50.06 2d6n s ASN 62 Cb -0.16 -0.57 -0.11 0.00 -1.45 0.00 0.00 41.25 38.95 2d6n s ASN 62 CO -0.04 -0.20 1.64 -2.84 -3.72 0.00 0.00 177.10 171.93 2d6n s PRO 63 N 0.15 4.14 -0.18 0.43 0.02 -1.19 -1.27 135.00 137.10 2d6n s PRO 63 Ca 0.28 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.85 2d6n s PRO 63 Cb -0.04 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.45 2d6n s PRO 63 CO -0.14 -0.67 -0.09 1.03 -0.33 0.00 0.00 177.00 176.80 2d6n s ARG 64 N 0.41 1.89 -1.36 5.54 0.52 0.27 -2.07 118.95 124.14 2d6n s ARG 64 Ca 0.69 -0.69 -0.09 0.00 -0.52 0.00 0.00 55.73 55.12 2d6n s ARG 64 Cb -0.48 -2.22 0.10 0.00 0.52 0.00 0.00 34.95 32.87 2d6n s ARG 64 CO 0.39 -0.39 2.18 1.19 0.02 0.00 0.00 175.30 178.69 2d6n n PHE 65 N 4.76 2.91 -3.80 -0.53 3.72 0.52 -1.89 117.46 123.15 2d6n n PHE 65 Ca -0.14 -2.86 -0.12 0.00 -0.05 0.00 0.00 57.45 54.27 2d6n n PHE 65 Cb 0.48 -2.09 -0.10 0.00 -0.94 0.00 0.00 39.48 36.82 2d6n n PHE 65 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2d6n s GLU 66 N 0.75 0.44 -1.42 -1.08 2.02 -1.26 -4.83 118.70 113.32 2d6n s GLU 66 Ca 0.47 0.04 -0.10 0.00 0.02 0.00 0.00 54.97 55.41 2d6n s GLU 66 Cb 0.13 0.20 0.03 0.00 0.10 0.00 0.00 34.13 34.59 2d6n s GLU 66 CO -0.04 -0.09 1.08 0.39 0.02 0.00 0.00 175.26 176.62 2d6n n GLU 67 N 2.16 -7.05 -0.00 1.61 1.02 -1.26 -1.12 120.64 116.01 2d6n n GLU 67 Ca -0.17 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2d6n n GLU 67 Cb 0.57 -5.77 0.00 0.00 -0.02 0.00 0.00 31.44 26.22 2d6n n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d6n n GLY 68 N -1.88 1.12 0.14 0.62 0.00 -1.26 -4.83 105.19 99.10 2d6n n GLY 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2d6n n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6n n GLY 69 N -2.00 -0.11 3.39 -0.02 0.00 -0.27 -4.74 105.19 101.43 2d6n n GLY 69 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2d6n n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d6n s TYR 70 N -0.00 -0.31 -0.08 1.61 -0.85 -0.79 -3.15 117.35 113.77 2d6n s TYR 70 Ca 0.00 0.03 0.05 0.00 -0.52 0.00 0.00 57.07 56.62 2d6n s TYR 70 Cb 0.00 0.39 -0.00 0.00 0.38 0.00 0.00 41.96 42.73 2d6n s TYR 70 CO 0.00 -0.79 -0.23 0.08 -1.52 0.00 0.00 175.55 173.09 2d6n s VAL 71 N -3.80 1.95 -0.21 -3.49 1.01 -0.49 -0.57 120.40 114.81 2d6n s VAL 71 Ca 0.03 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 2d6n s VAL 71 Cb 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2d6n s VAL 71 CO -0.11 0.54 0.14 -0.69 0.00 0.00 0.00 175.10 174.98 2d6n s VAL 72 N 0.20 5.39 -0.09 2.92 1.01 -0.40 -1.53 120.40 127.89 2d6n s VAL 72 Ca -0.13 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2d6n s VAL 72 Cb -0.16 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2d6n s VAL 72 CO 0.07 0.42 -0.16 0.00 0.00 0.00 0.00 175.10 175.42 2d6n s ASN 74 N -0.06 -0.05 -0.00 0.00 3.84 -0.81 -1.07 114.94 116.80 2d6n s ASN 74 Ca -0.04 -0.99 0.03 0.00 0.21 0.00 0.00 52.86 52.07 2d6n s ASN 74 Cb -0.14 0.80 -0.01 0.00 -0.55 0.00 0.00 41.25 41.36 2d6n s ASN 74 CO 0.04 -1.57 -0.09 -0.89 -2.79 0.00 0.00 177.10 171.80 2d6n s THR 75 N -2.86 0.75 -0.14 -5.21 2.01 -1.26 -0.50 115.64 108.43 2d6n s THR 75 Ca 0.15 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2d6n s THR 75 Cb -0.05 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 2d6n s THR 75 CO 0.10 0.18 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.36 2d6n s LYS 76 N -0.30 3.44 -0.10 4.92 2.20 -0.14 -1.13 119.74 128.63 2d6n s LYS 76 Ca 0.03 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.00 2d6n s LYS 76 Cb -0.04 -2.71 0.02 0.00 -1.51 0.00 0.00 37.83 33.59 2d6n s LYS 76 CO -0.00 0.19 -0.11 -0.65 -0.36 0.00 0.00 175.35 174.42 2d6n s GLN 77 N 0.43 1.75 -1.56 4.03 -0.21 0.00 -1.07 119.66 123.03 2d6n s GLN 77 Ca -0.08 -0.37 -0.13 0.00 0.02 0.00 0.00 55.36 54.80 2d6n s GLN 77 Cb -0.15 -1.64 0.10 0.00 1.00 0.00 0.00 33.01 32.31 2d6n s GLN 77 CO 0.04 -0.16 0.81 0.09 -2.12 0.00 0.00 175.29 173.96 2d6n n ASN 78 N 4.52 -3.37 0.00 5.90 5.03 -1.13 -0.69 115.26 125.52 2d6n n ASN 78 Ca -0.17 -0.90 0.00 0.00 0.87 0.00 0.00 54.58 54.38 2d6n n ASN 78 Cb 0.51 -3.37 0.00 0.00 -1.02 0.00 0.00 39.78 35.90 2d6n n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2d6n n GLY 79 N -1.62 0.82 3.52 7.41 0.00 -0.00 -5.03 105.19 110.30 2d6n n GLY 79 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2d6n n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d6n s GLN 80 N -0.15 3.76 0.27 1.61 -1.52 0.13 -5.08 119.66 118.68 2d6n s GLN 80 Ca 0.00 -0.46 -0.29 0.00 -1.95 0.00 0.00 55.36 52.66 2d6n s GLN 80 Cb 0.00 -3.12 -0.09 0.00 -0.22 0.00 0.00 33.01 29.58 2d6n s GLN 80 CO 0.00 0.13 1.14 -1.58 -0.25 0.00 0.00 175.29 174.73 2d6n s TRP 81 N 0.72 3.48 0.00 0.91 0.52 -1.26 -0.82 118.94 122.50 2d6n s TRP 81 Ca 0.01 1.62 0.00 0.00 0.02 0.00 0.00 56.10 57.75 2d6n s TRP 81 Cb -0.14 -3.36 0.00 0.00 -1.15 0.00 0.00 33.47 28.82 2d6n s TRP 81 CO 0.02 -0.83 0.00 0.41 0.02 0.00 0.00 176.95 176.57 2d6n n GLY 82 N 1.30 0.17 3.71 0.98 0.00 -0.28 -4.96 105.19 106.10 2d6n n GLY 82 Ca -0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2d6n n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d6n s PRO 83 N -0.91 4.36 0.28 1.61 0.04 -1.26 -4.86 135.00 134.27 2d6n s PRO 83 Ca 0.00 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 2d6n s PRO 83 Cb 0.00 -3.31 -0.10 0.00 0.04 0.00 0.00 34.50 31.13 2d6n s PRO 83 CO 0.00 -0.38 1.10 -1.21 0.04 0.00 0.00 177.00 176.55 2d6n s GLU 84 N 1.19 4.64 -0.33 4.56 2.02 -1.26 -4.82 118.70 124.70 2d6n s GLU 84 Ca 0.62 1.80 -0.09 0.00 0.02 0.00 0.00 54.97 57.33 2d6n s GLU 84 Cb -0.33 -3.19 0.02 0.00 0.10 0.00 0.00 34.13 30.72 2d6n s GLU 84 CO 0.29 0.21 0.14 -1.21 0.02 0.00 0.00 175.26 174.71 2d6n s GLU 85 N -1.43 2.95 -0.22 1.61 2.02 -0.23 -4.99 118.70 118.41 2d6n s GLU 85 Ca 0.45 -0.97 -0.05 0.00 0.02 0.00 0.00 54.97 54.41 2d6n s GLU 85 Cb -0.32 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.35 2d6n s GLU 85 CO 0.41 -0.57 0.01 1.03 0.02 0.00 0.00 175.26 176.16 2d6n s ARG 86 N 1.52 3.54 -0.28 1.61 0.52 -1.26 -0.99 118.95 123.60 2d6n s ARG 86 Ca 0.02 -0.54 -0.16 0.00 -0.52 0.00 0.00 55.73 54.53 2d6n s ARG 86 Cb -0.18 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 2d6n s ARG 86 CO 0.05 -0.13 0.41 0.21 0.02 0.00 0.00 175.30 175.86 2d6n s LYS 87 N 1.37 3.96 -1.32 3.54 2.36 -0.58 -4.96 119.74 124.11 2d6n s LYS 87 Ca 0.05 0.04 -0.08 0.00 -2.55 0.00 0.00 55.97 53.43 2d6n s LYS 87 Cb -0.15 -3.68 0.13 0.00 -1.05 0.00 0.00 37.83 33.09 2d6n s LYS 87 CO 0.01 -0.34 2.16 -1.33 1.55 0.00 0.00 175.35 177.40 2d6n n MET 88 N 5.41 4.07 -3.58 4.03 2.81 -1.26 -1.39 117.12 127.21 2d6n n MET 88 Ca -0.07 -3.43 -0.16 0.00 -1.81 0.00 0.00 57.70 52.22 2d6n n MET 88 Cb 0.50 -2.79 -0.07 0.00 -0.71 0.00 0.00 33.22 30.16 2d6n n MET 88 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2d6n s GLN 89 N -0.24 0.94 -0.34 0.03 0.74 -1.19 -4.93 119.66 114.67 2d6n s GLN 89 Ca 0.48 0.55 0.01 0.00 0.05 0.00 0.00 55.36 56.45 2d6n s GLN 89 Cb 0.14 0.45 0.09 0.00 1.10 0.00 0.00 33.01 34.79 2d6n s GLN 89 CO -0.04 -0.22 0.07 1.41 -0.55 0.00 0.00 175.29 175.95 2d6n s MET 90 N -0.51 1.81 0.00 1.67 -2.45 -1.25 -3.82 119.30 114.76 2d6n s MET 90 Ca -0.06 -1.74 0.28 0.00 -1.25 0.00 0.00 55.69 52.92 2d6n s MET 90 Cb -0.02 -3.27 1.01 0.00 1.25 0.00 0.00 34.83 33.79 2d6n s MET 90 CO 0.06 -0.90 1.75 -0.35 1.05 0.00 0.00 175.02 176.63 2d6n n PRO 91 N 4.40 0.15 -3.62 4.11 -0.04 -1.26 -4.80 135.00 133.95 2d6n n PRO 91 Ca -0.02 -0.05 -0.34 0.00 -0.04 0.00 0.00 63.50 63.05 2d6n n PRO 91 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 2d6n n PRO 91 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2d6n s PHE 92 N -2.88 3.57 -0.10 0.54 0.08 -1.26 -4.95 117.98 112.98 2d6n s PHE 92 Ca 0.17 0.73 0.00 0.00 0.12 0.00 0.00 56.93 57.95 2d6n s PHE 92 Cb 0.19 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 2d6n s PHE 92 CO 0.57 0.52 -0.10 -0.65 -0.10 0.00 0.00 175.22 175.46 2d6n s GLN 93 N -1.97 3.03 0.26 0.44 -0.21 -1.26 -5.10 119.66 114.84 2d6n s GLN 93 Ca 0.33 -0.62 -0.31 0.00 0.02 0.00 0.00 55.36 54.78 2d6n s GLN 93 Cb -0.14 -2.60 -0.12 0.00 1.00 0.00 0.00 33.01 31.15 2d6n s GLN 93 CO 0.18 0.45 1.54 1.63 -2.12 0.00 0.00 175.29 176.98 2d6n n LYS 94 N 2.84 2.43 -0.95 2.91 5.02 -1.26 -2.18 118.16 126.97 2d6n n LYS 94 Ca -0.18 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 2d6n n LYS 94 Cb 0.53 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 2d6n n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d6n n GLY 95 N 2.44 0.59 3.42 0.72 0.00 0.63 -4.82 105.19 108.17 2d6n n GLY 95 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2d6n n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d6n s MET 96 N -0.31 1.94 0.78 1.61 -1.94 -0.93 -4.86 119.30 115.59 2d6n s MET 96 Ca 0.00 -1.05 -0.13 0.00 -1.71 0.00 0.00 55.69 52.80 2d6n s MET 96 Cb 0.00 -2.11 0.07 0.00 2.01 0.00 0.00 34.83 34.80 2d6n s MET 96 CO 0.00 0.52 1.17 -1.25 -0.01 0.00 0.00 175.02 175.46 2d6n s PRO 97 N -1.44 1.91 0.07 2.03 0.04 -1.26 -2.53 135.00 133.81 2d6n s PRO 97 Ca 0.14 1.61 -0.07 0.00 0.04 0.00 0.00 61.00 62.72 2d6n s PRO 97 Cb -0.10 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2d6n s PRO 97 CO 0.04 -1.98 0.13 -0.59 0.04 0.00 0.00 177.00 174.65 2d6n s PHE 98 N -2.28 0.22 -0.12 0.56 -0.12 -0.04 -4.88 117.98 111.31 2d6n s PHE 98 Ca 0.70 -0.62 0.03 0.00 -0.05 0.00 0.00 56.93 56.99 2d6n s PHE 98 Cb -0.25 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.01 2d6n s PHE 98 CO 0.49 -0.47 -0.22 -2.00 -0.05 0.00 0.00 175.22 172.98 2d6n s GLU 99 N -3.52 2.90 -0.15 1.99 2.12 -1.26 -1.87 118.70 118.90 2d6n s GLU 99 Ca 0.03 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2d6n s GLU 99 Cb 0.04 -2.29 0.03 0.00 0.26 0.00 0.00 34.13 32.17 2d6n s GLU 99 CO -0.09 0.05 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.39 2d6n s LEU 100 N 0.65 1.74 -0.12 2.70 2.96 0.57 -0.76 118.68 126.42 2d6n s LEU 100 Ca -0.12 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2d6n s LEU 100 Cb -0.16 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 45.40 2d6n s LEU 100 CO 0.02 -0.08 -0.14 0.00 -1.32 0.00 0.00 176.35 174.83 2d6n s PHE 102 N 1.22 3.16 -0.22 0.00 0.08 0.26 -0.90 117.98 121.59 2d6n s PHE 102 Ca -0.02 -0.49 -0.07 0.00 0.12 0.00 0.00 56.93 56.47 2d6n s PHE 102 Cb -0.14 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 2d6n s PHE 102 CO -0.05 -0.41 0.06 -0.51 -0.10 0.00 0.00 175.22 174.21 2d6n s LEU 103 N 1.62 3.59 -0.37 -0.37 2.01 0.19 -0.66 118.68 124.69 2d6n s LEU 103 Ca 0.05 -0.08 -0.24 0.00 0.01 0.00 0.00 54.13 53.87 2d6n s LEU 103 Cb -0.17 -1.93 0.01 0.00 0.01 0.00 0.00 46.19 44.11 2d6n s LEU 103 CO 0.06 0.06 0.83 -0.69 1.01 0.00 0.00 176.35 177.62 2d6n s VAL 104 N 1.03 4.69 0.36 -1.59 1.01 -0.24 -1.25 120.40 124.40 2d6n s VAL 104 Ca 0.04 0.97 0.08 0.00 0.00 0.00 0.00 61.98 63.07 2d6n s VAL 104 Cb -0.14 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2d6n s VAL 104 CO 0.03 -0.47 0.16 -1.10 0.00 0.00 0.00 175.10 173.72 2d6n s GLN 105 N 3.22 2.33 0.24 2.72 -0.21 -0.22 0.25 119.66 127.99 2d6n s GLN 105 Ca 0.33 -1.63 -0.05 0.00 0.02 0.00 0.00 55.36 54.04 2d6n s GLN 105 Cb -0.13 -2.13 0.37 0.00 1.00 0.00 0.00 33.01 32.12 2d6n s GLN 105 CO 0.17 0.04 1.82 -0.09 -2.12 0.00 0.00 175.29 175.12 2d6n h ARG 106 N 1.50 0.81 -0.00 2.91 2.43 -1.98 -3.22 114.38 116.83 2d6n h ARG 106 Ca -0.43 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2d6n h ARG 106 Cb 1.25 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2d6n h ARG 106 CO 0.64 0.54 -0.40 -1.13 -1.51 0.00 0.00 179.97 178.11 2d6n n SER 107 N -4.71 0.59 -3.73 -3.80 3.41 -1.26 -4.95 113.62 99.17 2d6n n SER 107 Ca 0.13 -0.79 -0.10 0.00 -0.26 0.00 0.00 58.87 57.84 2d6n n SER 107 Cb 0.24 0.90 -0.04 0.00 -0.26 0.00 0.00 64.21 65.05 2d6n n SER 107 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2d6n s GLU 108 N -1.79 1.23 0.15 4.33 -1.05 -1.22 -1.75 118.70 118.61 2d6n s GLU 108 Ca 0.04 -0.85 -0.17 0.00 -0.15 0.00 0.00 54.97 53.85 2d6n s GLU 108 Cb 0.07 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 34.17 2d6n s GLU 108 CO 0.36 -0.50 0.61 -0.06 0.95 0.00 0.00 175.26 176.62 2d6n s PHE 109 N -3.86 3.67 -0.15 4.83 0.08 0.73 -1.05 117.98 122.22 2d6n s PHE 109 Ca 0.08 1.22 -0.03 0.00 0.12 0.00 0.00 56.93 58.31 2d6n s PHE 109 Cb 0.01 -2.48 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2d6n s PHE 109 CO -0.06 0.44 -0.04 0.21 -0.10 0.00 0.00 175.22 175.67 2d6n s LYS 110 N -1.77 3.64 -0.19 0.44 2.20 -0.38 -1.26 119.74 122.42 2d6n s LYS 110 Ca 0.37 -0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2d6n s LYS 110 Cb -0.17 -2.90 -0.01 0.00 -1.51 0.00 0.00 37.83 33.24 2d6n s LYS 110 CO 0.20 0.26 -0.05 0.08 -0.36 0.00 0.00 175.35 175.47 2d6n s VAL 111 N 0.32 3.46 -0.10 4.02 1.01 0.45 -0.64 120.40 128.92 2d6n s VAL 111 Ca -0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2d6n s VAL 111 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2d6n s VAL 111 CO 0.03 0.45 0.03 -0.04 0.00 0.00 0.00 175.10 175.57 2d6n s MET 112 N 1.07 3.17 -0.13 2.72 1.00 -0.08 -0.21 119.30 126.83 2d6n s MET 112 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 55.69 55.36 2d6n s MET 112 Cb -0.15 -2.91 0.02 0.00 0.00 0.00 0.00 34.83 31.80 2d6n s MET 112 CO -0.00 0.67 -0.13 0.08 0.00 0.00 0.00 175.02 175.64 2d6n s VAL 113 N -0.78 1.43 -1.49 -6.03 1.01 0.39 -1.22 120.40 113.71 2d6n s VAL 113 Ca 0.12 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 2d6n s VAL 113 Cb -0.12 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 34.98 2d6n s VAL 113 CO 0.02 0.43 0.84 0.59 0.00 0.00 0.00 175.10 176.98 2d6n n ASN 114 N 4.64 -3.30 0.00 3.32 3.02 0.06 -1.78 115.26 121.22 2d6n n ASN 114 Ca -0.17 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 2d6n n ASN 114 Cb 0.50 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 2d6n n ASN 114 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d6n n LYS 115 N -4.53 -0.75 -4.84 3.52 4.01 -1.26 -5.00 118.16 109.30 2d6n n LYS 115 Ca -0.07 0.19 -0.33 0.00 -0.51 0.00 0.00 58.31 57.59 2d6n n LYS 115 Cb 0.57 -3.77 -0.13 0.00 -0.51 0.00 0.00 35.03 31.19 2d6n n LYS 115 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2d6n s LYS 116 N -0.78 2.57 0.25 1.97 1.02 -0.73 -5.08 119.74 118.96 2d6n s LYS 116 Ca 0.00 -0.67 -0.31 0.00 0.02 0.00 0.00 55.97 55.01 2d6n s LYS 116 Cb 0.00 -2.42 -0.13 0.00 -0.52 0.00 0.00 37.83 34.76 2d6n s LYS 116 CO 0.00 0.62 1.42 0.34 -0.92 0.00 0.00 175.35 176.81 2d6n n PHE 117 N 2.33 2.25 0.02 3.18 7.35 -1.26 -0.46 117.46 130.86 2d6n n PHE 117 Ca -0.17 0.42 -0.02 0.00 -0.76 0.00 0.00 57.45 56.92 2d6n n PHE 117 Cb 0.52 -2.47 -0.01 0.00 0.35 0.00 0.00 39.48 37.88 2d6n n PHE 117 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2d6n n PHE 118 N 1.81 0.00 -3.86 -5.13 7.35 0.70 -4.80 117.46 113.53 2d6n n PHE 118 Ca 0.11 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.70 2d6n n PHE 118 Cb 0.32 -0.08 -0.08 0.00 0.35 0.00 0.00 39.48 40.00 2d6n n PHE 118 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2d6n s VAL 119 N -2.10 0.13 0.13 -2.13 -7.23 -1.11 -5.02 120.40 103.07 2d6n s VAL 119 Ca -0.04 -1.10 0.06 0.00 -1.81 0.00 0.00 61.98 59.08 2d6n s VAL 119 Cb 0.01 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 2d6n s VAL 119 CO 0.06 -0.61 0.04 0.00 -0.31 0.00 0.00 175.10 174.27 2d6n s GLN 120 N -3.40 2.60 -0.16 4.82 1.03 -1.26 -0.41 119.66 122.88 2d6n s GLN 120 Ca 0.01 -0.92 -0.04 0.00 0.04 0.00 0.00 55.36 54.45 2d6n s GLN 120 Cb 0.03 -2.52 0.07 0.00 0.03 0.00 0.00 33.01 30.62 2d6n s GLN 120 CO -0.08 0.50 0.17 -0.47 -2.54 0.00 0.00 175.29 172.86 2d6n s TYR 121 N -1.55 -0.11 0.26 9.60 5.04 -0.39 -4.98 117.35 125.21 2d6n s TYR 121 Ca 0.28 0.16 -0.30 0.00 -2.44 0.00 0.00 57.07 54.77 2d6n s TYR 121 Cb -0.11 -0.44 -0.10 0.00 0.35 0.00 0.00 41.96 41.67 2d6n s TYR 121 CO 0.20 -0.49 1.33 -0.65 -1.34 0.00 0.00 175.55 174.60 2d6n s GLN 122 N 2.26 4.36 0.04 4.97 -1.52 -1.26 -0.20 119.66 128.32 2d6n s GLN 122 Ca 0.05 2.16 -0.30 0.00 -1.95 0.00 0.00 55.36 55.31 2d6n s GLN 122 Cb -0.15 -3.13 -0.08 0.00 -0.22 0.00 0.00 33.01 29.43 2d6n s GLN 122 CO -0.10 -0.26 1.66 -1.01 -0.25 0.00 0.00 175.29 175.34 2d6n s HIS 123 N -0.35 2.29 -0.13 0.91 3.76 -0.72 -4.88 115.29 116.17 2d6n s HIS 123 Ca 0.54 0.26 0.22 0.00 -0.15 0.00 0.00 55.06 55.94 2d6n s HIS 123 Cb -0.39 -3.96 -0.18 0.00 1.11 0.00 0.00 32.58 29.16 2d6n s HIS 123 CO 0.44 -3.93 0.73 0.54 -0.85 0.00 0.00 174.74 171.67 2d6n n ARG 124 N 5.97 0.64 -4.08 1.40 1.74 -1.26 -4.93 116.66 116.13 2d6n n ARG 124 Ca 0.16 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 57.12 2d6n n ARG 124 Cb 0.41 -1.67 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 2d6n n ARG 124 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2d6n s VAL 125 N -3.41 0.33 0.25 1.55 -7.23 -1.26 -5.12 120.40 105.51 2d6n s VAL 125 Ca -0.05 -1.60 -0.31 0.00 -1.81 0.00 0.00 61.98 58.21 2d6n s VAL 125 Cb 0.12 -1.24 -0.12 0.00 0.56 0.00 0.00 36.38 35.70 2d6n s VAL 125 CO 0.85 -0.82 1.68 -2.65 -0.31 0.00 0.00 175.10 173.85 2d6n n PRO 126 N 0.48 2.77 0.24 4.82 -0.02 -1.26 -4.87 135.00 137.16 2d6n n PRO 126 Ca -0.16 0.99 0.15 0.00 -2.02 0.00 0.00 63.50 62.46 2d6n n PRO 126 Cb 0.59 -2.82 0.47 0.00 -0.02 0.00 0.00 33.50 31.73 2d6n n PRO 126 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2d6n h TYR 127 N 5.94 0.00 0.00 6.00 -0.00 -1.96 -3.11 116.97 123.83 2d6n h TYR 127 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 2d6n h TYR 127 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2d6n h TYR 127 CO 0.62 0.00 0.00 1.25 -0.00 0.00 0.00 178.16 180.03 2d6n h HIS 128 N 0.00 0.00 0.00 0.10 2.76 -1.90 -1.78 115.15 114.33 2d6n h HIS 128 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2d6n h HIS 128 Cb 0.69 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2d6n h HIS 128 CO 0.00 0.00 0.00 -0.07 -1.30 0.00 0.00 177.93 176.56 2d6n h LEU 129 N 0.00 0.00 -8.97 0.26 3.38 -1.87 -3.38 115.31 104.73 2d6n h LEU 129 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2d6n h LEU 129 Cb 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2d6n h LEU 129 CO 0.00 0.00 1.03 -0.69 0.09 0.00 0.00 178.44 178.87 2d6n s VAL 130 N -3.30 3.98 0.00 1.22 1.01 -0.67 -4.36 120.40 118.28 2d6n s VAL 130 Ca 0.05 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2d6n s VAL 130 Cb 0.10 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2d6n s VAL 130 CO 0.46 -0.43 0.85 -0.90 0.00 0.00 0.00 175.10 175.08 2d6n n ASP 131 N 7.99 1.49 -3.78 3.32 5.68 -0.81 -1.53 116.55 128.91 2d6n n ASP 131 Ca 0.16 -1.72 -0.13 0.00 -0.50 0.00 0.00 54.79 52.61 2d6n n ASP 131 Cb 0.46 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.31 2d6n n ASP 131 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2d6n s THR 132 N -0.72 -0.02 -0.08 2.12 2.01 -0.81 -0.10 115.64 118.04 2d6n s THR 132 Ca 0.00 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2d6n s THR 132 Cb 0.00 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 2d6n s THR 132 CO 0.00 0.04 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.36 2d6n s ILE 133 N 0.64 3.44 -0.11 1.82 2.07 -0.10 -0.77 121.20 128.20 2d6n s ILE 133 Ca -0.05 -0.57 -0.00 0.00 -1.41 0.00 0.00 60.65 58.63 2d6n s ILE 133 Cb -0.06 -2.40 0.02 0.00 0.13 0.00 0.00 42.46 40.15 2d6n s ILE 133 CO -0.03 0.58 -0.09 0.00 -1.91 0.00 0.00 174.94 173.49 2d6n s ALA 134 N -0.55 1.35 -0.11 1.50 0.00 -0.13 -1.25 121.76 122.57 2d6n s ALA 134 Ca 0.08 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2d6n s ALA 134 Cb -0.12 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2d6n s ALA 134 CO 0.02 -0.34 -0.22 0.08 0.00 0.00 0.00 175.76 175.29 2d6n s VAL 135 N 1.55 2.00 0.09 0.00 1.01 0.11 0.22 120.40 125.38 2d6n s VAL 135 Ca 0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 2d6n s VAL 135 Cb -0.13 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2d6n s VAL 135 CO -0.07 0.54 0.10 -0.94 0.00 0.00 0.00 175.10 174.73 2d6n s SER 136 N 0.55 0.28 0.00 3.32 1.04 -0.40 0.10 113.70 118.58 2d6n s SER 136 Ca -0.14 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.39 2d6n s SER 136 Cb -0.17 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2d6n s SER 136 CO 0.04 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2d6n n GLY 137 N -0.02 0.06 2.84 7.32 0.00 -1.26 -0.46 105.19 113.67 2d6n n GLY 137 Ca -0.12 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 2d6n n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d6n s LEU 139 N -0.71 -0.03 0.09 0.00 2.34 -1.26 -2.06 118.68 117.05 2d6n s LEU 139 Ca 0.40 -0.63 0.02 0.00 0.06 0.00 0.00 54.13 53.97 2d6n s LEU 139 Cb 0.10 2.31 -0.04 0.00 -0.56 0.00 0.00 46.19 48.00 2d6n s LEU 139 CO 0.01 -1.20 -0.07 -1.59 -1.06 0.00 0.00 176.35 172.44 2d6n s LYS 140 N -3.93 0.79 -0.06 1.48 -2.85 -0.49 -4.88 119.74 109.81 2d6n s LYS 140 Ca 0.13 -1.23 0.05 0.00 -1.00 0.00 0.00 55.97 53.92 2d6n s LYS 140 Cb -0.03 -0.26 -0.00 0.00 -2.06 0.00 0.00 37.83 35.48 2d6n s LYS 140 CO 0.04 0.00 -0.20 -0.51 0.10 0.00 0.00 175.35 174.78 2d6n s LEU 141 N -2.76 1.96 0.09 2.77 1.43 -1.26 -0.94 118.68 119.97 2d6n s LEU 141 Ca 0.08 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 2d6n s LEU 141 Cb 0.02 -1.13 -0.22 0.00 0.03 0.00 0.00 46.19 44.89 2d6n s LEU 141 CO -0.03 0.17 1.19 0.28 0.23 0.00 0.00 176.35 178.19 2d6n h SER 142 N 6.31 0.57 -4.97 2.29 0.02 -1.01 -3.36 113.55 113.41 2d6n h SER 142 Ca -0.30 -0.54 0.08 0.00 -0.84 0.00 0.00 61.79 60.19 2d6n h SER 142 Cb 1.18 -0.18 -0.11 0.00 0.14 0.00 0.00 62.40 63.43 2d6n h SER 142 CO 0.47 1.37 0.36 0.72 -1.14 0.00 0.00 176.83 178.62 2d6n s PHE 143 N -2.94 -0.33 -0.12 3.45 -0.12 -1.13 -0.46 117.98 116.33 2d6n s PHE 143 Ca -0.06 0.07 0.02 0.00 -0.05 0.00 0.00 56.93 56.91 2d6n s PHE 143 Cb 0.07 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 43.08 2d6n s PHE 143 CO 0.89 -0.83 -0.17 0.42 -0.05 0.00 0.00 175.22 175.49 2d6n s ILE 144 N -3.49 1.64 0.24 -4.49 1.01 0.19 -1.48 121.20 114.83 2d6n s ILE 144 Ca 0.07 -0.73 0.09 0.00 0.00 0.00 0.00 60.65 60.07 2d6n s ILE 144 Cb -0.02 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 2d6n s ILE 144 CO -0.05 0.47 0.03 0.42 0.00 0.00 0.00 174.94 175.81 2d6n s THR 145 N 0.97 3.69 -0.15 2.92 -4.23 -0.19 -1.01 115.64 117.65 2d6n s THR 145 Ca -0.06 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2d6n s THR 145 Cb -0.15 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.78 2d6n s THR 145 CO -0.02 -0.31 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.35 2d6n s PHE 146 N -2.16 1.38 0.07 3.99 0.08 -1.26 -1.13 117.98 118.95 2d6n s PHE 146 Ca 0.31 -0.84 0.02 0.00 0.12 0.00 0.00 56.93 56.54 2d6n s PHE 146 Cb -0.07 -1.16 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 2d6n s PHE 146 CO 0.20 -0.55 -0.07 -0.65 -0.10 0.00 0.00 175.22 174.06 2d6n s GLN 147 N 1.74 0.65 0.11 0.44 -0.21 -0.49 -0.01 119.66 121.89 2d6n s GLN 147 Ca 0.02 -1.01 0.02 0.00 0.02 0.00 0.00 55.36 54.41 2d6n s GLN 147 Cb -0.15 -0.23 -0.04 0.00 1.00 0.00 0.00 33.01 33.59 2d6n s GLN 147 CO -0.07 0.01 -0.08 0.95 -2.12 0.00 0.00 175.29 173.98 2d6n s THR 148 N -2.41 0.82 -0.03 -0.19 -4.23 -0.53 0.10 115.64 109.17 2d6n s THR 148 Ca -0.00 -1.94 0.28 0.00 -1.18 0.00 0.00 61.69 58.84 2d6n s THR 148 Cb -0.03 -1.69 0.33 0.00 1.34 0.00 0.00 72.50 72.44 2d6n s THR 148 CO -0.02 -0.82 1.83 1.56 -0.54 0.00 0.00 174.62 176.63 2d6n h GLN 149 N 2.97 0.00 0.00 3.99 4.20 -1.78 -0.73 115.11 123.76 2d6n h GLN 149 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2d6n h GLN 149 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2d6n h GLN 149 CO 0.64 0.08 0.00 0.27 -0.67 0.00 0.00 178.83 179.14