#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 0.27 -4.24 1.61 3.41 -1.26 -4.74 113.62 108.68 2d6n n SER 0 Ca 0.00 0.53 -0.28 0.00 -0.26 0.00 0.00 58.87 58.85 2d6n n SER 0 Cb 0.00 -0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 63.19 2d6n n SER 0 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2d6n s MET 1 N -3.03 1.85 0.15 4.33 0.00 -1.26 -5.12 119.30 116.22 2d6n s MET 1 Ca 0.13 -0.79 -0.31 0.00 0.00 0.00 0.00 55.69 54.72 2d6n s MET 1 Cb 0.17 -1.75 -0.10 0.00 0.00 0.00 0.00 34.83 33.15 2d6n s MET 1 CO 0.55 0.45 1.56 0.00 0.00 0.00 0.00 175.02 177.58 2d6n s ALA 2 N -0.45 3.76 0.04 4.11 0.00 -1.26 -5.02 121.76 122.94 2d6n s ALA 2 Ca 0.07 1.34 0.09 0.00 0.00 0.00 0.00 51.96 53.45 2d6n s ALA 2 Cb -0.09 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2d6n s ALA 2 CO -0.00 -0.79 -0.25 -0.51 0.00 0.00 0.00 175.76 174.21 2d6n s LEU 3 N 1.24 2.15 -0.00 0.00 1.43 -1.26 -4.41 118.68 117.82 2d6n s LEU 3 Ca 0.70 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 2d6n s LEU 3 Cb -0.43 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2d6n s LEU 3 CO 0.31 0.24 -0.23 -0.36 0.23 0.00 0.00 176.35 176.55 2d6n s PHE 4 N -0.78 2.02 0.34 0.29 0.08 0.37 -4.92 117.98 115.38 2d6n s PHE 4 Ca 0.11 -0.38 -0.28 0.00 0.12 0.00 0.00 56.93 56.49 2d6n s PHE 4 Cb -0.10 -1.28 -0.12 0.00 -0.57 0.00 0.00 43.02 40.95 2d6n s PHE 4 CO 0.02 -0.00 1.30 -1.13 -0.10 0.00 0.00 175.22 175.31 2d6n n SER 5 N 2.36 2.80 0.00 1.36 3.41 -1.26 -0.11 113.62 122.18 2d6n n SER 5 Ca -0.16 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 2d6n n SER 5 Cb 0.52 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 2d6n n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d6n n ALA 6 N 0.45 0.00 -1.43 7.33 0.00 -0.49 -4.70 120.51 121.67 2d6n n ALA 6 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 2d6n n ALA 6 Cb 0.36 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.00 2d6n n ALA 6 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2d6n s GLN 7 N 1.91 0.13 0.42 0.00 -2.07 -1.26 -5.02 119.66 113.77 2d6n s GLN 7 Ca 0.00 0.03 -0.17 0.00 -1.82 0.00 0.00 55.36 53.41 2d6n s GLN 7 Cb 0.00 -1.74 -0.09 0.00 -1.09 0.00 0.00 33.01 30.09 2d6n s GLN 7 CO 0.00 -2.83 0.88 -1.54 -1.32 0.00 0.00 175.29 170.48 2d6n s SER 8 N -4.11 6.75 0.61 12.60 1.04 -1.26 -4.49 113.70 124.83 2d6n s SER 8 Ca 0.69 1.47 -0.19 0.00 0.48 0.00 0.00 55.95 58.40 2d6n s SER 8 Cb -0.11 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2d6n s SER 8 CO 0.55 -0.39 1.23 -2.16 0.98 0.00 0.00 173.24 173.44 2d6n s PRO 9 N -3.48 2.88 -0.17 4.02 0.04 -1.26 -4.86 135.00 132.17 2d6n s PRO 9 Ca 0.58 1.88 -0.20 0.00 0.04 0.00 0.00 61.00 63.29 2d6n s PRO 9 Cb -0.10 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2d6n s PRO 9 CO 0.22 -1.29 0.59 0.71 0.04 0.00 0.00 177.00 177.27 2d6n s TYR 10 N -1.56 3.42 -0.11 0.56 4.12 -0.56 -4.95 117.35 118.27 2d6n s TYR 10 Ca 0.79 0.93 -0.01 0.00 0.02 0.00 0.00 57.07 58.80 2d6n s TYR 10 Cb -0.32 -2.74 -0.02 0.00 -1.52 0.00 0.00 41.96 37.36 2d6n s TYR 10 CO 0.35 -0.07 -0.08 0.42 0.02 0.00 0.00 175.55 176.18 2d6n s ILE 11 N 1.51 3.54 -1.16 2.71 1.01 -1.26 -0.98 121.20 126.58 2d6n s ILE 11 Ca 0.28 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.43 2d6n s ILE 11 Cb -0.16 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2d6n s ILE 11 CO 0.11 0.54 0.01 0.59 0.00 0.00 0.00 174.94 176.19 2d6n n ASN 12 N 3.05 0.68 -4.71 3.58 4.13 0.39 -4.79 115.26 117.59 2d6n n ASN 12 Ca -0.18 -0.95 -0.42 0.00 1.68 0.00 0.00 54.58 54.71 2d6n n ASN 12 Cb 0.53 -1.18 -0.03 0.00 -1.54 0.00 0.00 39.78 37.55 2d6n n ASN 12 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2d6n s PRO 13 N -6.26 4.18 0.31 3.52 0.04 -1.25 -4.93 135.00 130.62 2d6n s PRO 13 Ca 0.01 2.44 -0.27 0.00 0.04 0.00 0.00 61.00 63.21 2d6n s PRO 13 Cb -0.01 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.24 2d6n s PRO 13 CO 0.75 -0.67 1.03 0.42 0.04 0.00 0.00 177.00 178.56 2d6n s ILE 14 N 1.39 3.78 -0.19 0.56 -1.09 -1.26 -4.47 121.20 119.93 2d6n s ILE 14 Ca 0.72 1.61 -0.09 0.00 -2.23 0.00 0.00 60.65 60.66 2d6n s ILE 14 Cb -0.45 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.43 2d6n s ILE 14 CO 0.32 0.25 0.12 -0.63 -1.23 0.00 0.00 174.94 173.77 2d6n s ILE 15 N -1.39 5.34 0.22 2.92 -1.09 -1.26 -2.78 121.20 123.16 2d6n s ILE 15 Ca 0.49 0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 58.77 2d6n s ILE 15 Cb -0.26 -3.41 -0.09 0.00 -1.58 0.00 0.00 42.46 37.12 2d6n s ILE 15 CO 0.33 0.47 1.17 -2.16 -1.23 0.00 0.00 174.94 173.52 2d6n s PRO 16 N 0.15 4.53 -0.11 2.79 0.04 -1.26 -4.98 135.00 136.16 2d6n s PRO 16 Ca 0.08 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.99 2d6n s PRO 16 Cb -0.11 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2d6n s PRO 16 CO -0.01 -0.01 -0.08 0.12 0.04 0.00 0.00 177.00 177.06 2d6n s PHE 17 N -0.42 2.91 -0.05 0.56 5.36 0.32 -4.98 117.98 121.68 2d6n s PHE 17 Ca 0.50 -0.24 0.03 0.00 -0.96 0.00 0.00 56.93 56.25 2d6n s PHE 17 Cb -0.33 -1.80 0.01 0.00 -0.34 0.00 0.00 43.02 40.56 2d6n s PHE 17 CO 0.39 0.08 -0.12 0.99 -1.46 0.00 0.00 175.22 175.10 2d6n s THR 18 N -0.19 1.07 0.17 0.12 2.01 -1.26 -0.40 115.64 117.15 2d6n s THR 18 Ca 0.02 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 61.34 2d6n s THR 18 Cb -0.13 -0.96 0.05 0.00 0.01 0.00 0.00 72.50 71.47 2d6n s THR 18 CO 0.03 0.33 0.58 -0.83 -0.69 0.00 0.00 174.62 174.04 2d6n s GLY 19 N 0.46 -0.44 0.39 4.40 0.00 -0.43 -5.01 107.32 106.70 2d6n s GLY 19 Ca -0.10 0.22 -0.24 0.00 0.00 0.00 0.00 44.72 44.60 2d6n s GLY 19 CO 0.02 0.01 1.05 2.56 0.00 0.00 0.00 173.10 176.75 2d6n s PRO 20 N -3.79 4.20 -0.42 2.90 0.04 -1.26 -0.89 135.00 135.78 2d6n s PRO 20 Ca 0.04 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 62.49 2d6n s PRO 20 Cb -0.01 -2.60 0.05 0.00 0.04 0.00 0.00 34.50 31.98 2d6n s PRO 20 CO -0.09 -0.11 0.29 0.42 0.04 0.00 0.00 177.00 177.55 2d6n s ILE 21 N -1.61 4.81 -0.26 0.56 1.01 0.23 -4.78 121.20 121.16 2d6n s ILE 21 Ca 0.57 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 2d6n s ILE 21 Cb -0.23 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 2d6n s ILE 21 CO 0.29 -0.41 1.33 -1.10 0.00 0.00 0.00 174.94 175.05 2d6n s GLN 22 N 1.57 3.97 0.00 2.79 -0.21 -1.26 -1.09 119.66 125.43 2d6n s GLN 22 Ca 0.03 1.39 0.00 0.00 0.02 0.00 0.00 55.36 56.80 2d6n s GLN 22 Cb -0.22 -3.87 0.00 0.00 1.00 0.00 0.00 33.01 29.92 2d6n s GLN 22 CO 0.06 -1.05 0.00 0.41 -2.12 0.00 0.00 175.29 172.59 2d6n n GLY 23 N 4.20 1.18 0.00 3.09 0.00 -1.26 -4.90 105.19 107.51 2d6n n GLY 23 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.14 3.75 -0.02 0.00 -0.25 -4.92 105.19 100.60 2d6n n GLY 24 Ca 0.00 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 2d6n n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d6n n LEU 25 N -1.52 5.23 -3.99 0.99 4.77 -0.78 -5.01 117.00 116.68 2d6n n LEU 25 Ca 0.00 1.05 -0.11 0.00 -0.03 0.00 0.00 56.01 56.91 2d6n n LEU 25 Cb 0.00 -1.58 -0.12 0.00 -2.33 0.00 0.00 43.42 39.39 2d6n n LEU 25 CO 0.00 -0.42 -0.38 -1.10 -1.33 0.00 0.00 177.39 174.17 2d6n s GLN 26 N -2.64 0.36 0.28 3.23 -1.52 -1.26 -4.06 119.66 114.04 2d6n s GLN 26 Ca 0.66 -0.56 -0.29 0.00 -1.95 0.00 0.00 55.36 53.22 2d6n s GLN 26 Cb -0.44 -0.08 -0.14 0.00 -0.22 0.00 0.00 33.01 32.14 2d6n s GLN 26 CO 0.53 0.00 1.20 -1.91 -0.25 0.00 0.00 175.29 174.87 2d6n n GLU 27 N 1.83 1.72 -0.47 2.91 2.13 -1.26 -1.48 120.64 126.02 2d6n n GLU 27 Ca -0.21 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2d6n n GLU 27 Cb 0.56 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.15 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 1.39 1.42 3.75 8.31 0.00 0.14 -4.94 105.19 115.26 2d6n n GLY 28 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 4.59 -0.15 0.99 2.96 -0.55 -2.77 118.68 123.76 2d6n s LEU 29 Ca 0.00 2.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.96 2d6n s LEU 29 Cb 0.00 -3.65 0.01 0.00 0.50 0.00 0.00 46.19 43.05 2d6n s LEU 29 CO 0.00 0.05 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.77 2d6n s GLN 30 N -1.34 2.92 -0.25 1.98 -0.21 0.17 -1.15 119.66 121.78 2d6n s GLN 30 Ca 0.43 -0.81 -0.04 0.00 0.02 0.00 0.00 55.36 54.96 2d6n s GLN 30 Cb -0.27 -2.40 0.01 0.00 1.00 0.00 0.00 33.01 31.35 2d6n s GLN 30 CO 0.34 -0.07 -0.03 0.08 -2.12 0.00 0.00 175.29 173.50 2d6n s VAL 31 N 0.95 3.28 -0.16 1.09 1.01 0.71 -1.51 120.40 125.77 2d6n s VAL 31 Ca -0.04 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2d6n s VAL 31 Cb -0.15 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 2d6n s VAL 31 CO -0.04 0.26 -0.14 -0.89 0.00 0.00 0.00 175.10 174.29 2d6n s THR 32 N 1.42 2.82 -0.16 3.92 2.01 -0.72 0.11 115.64 125.04 2d6n s THR 32 Ca 0.03 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 2d6n s THR 32 Cb -0.16 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 2d6n s THR 32 CO -0.03 0.51 0.02 -0.76 -0.69 0.00 0.00 174.62 173.67 2d6n s LEU 33 N 0.79 3.58 -0.17 4.42 1.02 0.17 -0.75 118.68 127.74 2d6n s LEU 33 Ca -0.05 0.02 -0.00 0.00 0.02 0.00 0.00 54.13 54.12 2d6n s LEU 33 Cb -0.15 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.18 2d6n s LEU 33 CO 0.01 0.20 -0.15 -1.58 0.02 0.00 0.00 176.35 174.85 2d6n s GLN 34 N 0.17 3.19 0.00 1.70 2.00 -0.53 -0.25 119.66 125.94 2d6n s GLN 34 Ca 0.02 -0.75 0.00 0.00 -2.00 0.00 0.00 55.36 52.63 2d6n s GLN 34 Cb -0.13 -2.67 0.00 0.00 0.80 0.00 0.00 33.01 31.01 2d6n s GLN 34 CO 0.02 -0.07 0.00 0.41 -0.50 0.00 0.00 175.29 175.15 2d6n n GLY 35 N 4.30 1.99 2.86 2.59 0.00 -0.85 -0.13 105.19 115.95 2d6n n GLY 35 Ca -0.19 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.75 0.44 0.11 2.61 2.01 0.13 -0.66 115.64 117.53 2d6n s THR 36 Ca 0.00 -0.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.64 2d6n s THR 36 Cb 0.00 -0.50 -0.08 0.00 0.01 0.00 0.00 72.50 71.93 2d6n s THR 36 CO 0.00 0.21 1.40 -0.89 -0.69 0.00 0.00 174.62 174.65 2d6n s THR 37 N 1.06 3.27 0.63 -0.82 2.01 -0.79 -0.99 115.64 120.02 2d6n s THR 37 Ca -0.09 0.91 -0.17 0.00 0.31 0.00 0.00 61.69 62.64 2d6n s THR 37 Cb -0.14 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 2d6n s THR 37 CO -0.01 0.07 1.20 -0.75 -0.69 0.00 0.00 174.62 174.43 2d6n s LYS 38 N 1.15 2.76 0.54 4.92 2.36 -0.51 -0.26 119.74 130.69 2d6n s LYS 38 Ca 0.65 1.76 0.23 0.00 -2.55 0.00 0.00 55.97 56.05 2d6n s LYS 38 Cb -0.37 -1.91 1.46 0.00 -1.05 0.00 0.00 37.83 35.96 2d6n s LYS 38 CO 0.30 -1.35 2.15 0.77 1.55 0.00 0.00 175.35 178.77 2d6n h SER 39 N 0.52 0.00 -0.30 1.43 0.02 -1.89 -2.40 113.55 110.92 2d6n h SER 39 Ca -0.49 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.22 2d6n h SER 39 Cb 1.29 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.62 2d6n h SER 39 CO 0.54 0.05 -0.69 0.49 -1.14 0.00 0.00 176.83 176.07 2d6n n PHE 40 N -4.12 1.10 -1.67 3.45 3.01 -1.26 -4.54 117.46 113.43 2d6n n PHE 40 Ca -0.03 -1.74 -0.45 0.00 1.01 0.00 0.00 57.45 56.25 2d6n n PHE 40 Cb 0.13 -0.28 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 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 -0.83 1.20 -0.11 4.37 0.00 -0.92 -4.94 120.51 119.27 2d6n n ALA 41 Ca 0.27 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.91 2d6n n ALA 41 Cb 0.83 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.91 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 2.36 0.51 -3.78 0.00 6.02 -1.26 -4.72 117.38 116.51 2d6n n GLN 42 Ca 0.13 0.22 -0.10 0.00 -0.01 0.00 0.00 57.00 57.24 2d6n n GLN 42 Cb 0.31 -1.36 -0.07 0.00 1.02 0.00 0.00 30.24 30.14 2d6n n GLN 42 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d6n s ARG 43 N -2.54 0.86 0.18 -1.09 0.52 -1.26 0.34 118.95 115.95 2d6n s ARG 43 Ca -0.32 -0.72 -0.04 0.00 -0.52 0.00 0.00 55.73 54.13 2d6n s ARG 43 Cb 0.11 0.36 -0.03 0.00 0.52 0.00 0.00 34.95 35.91 2d6n s ARG 43 CO 0.42 -0.29 0.17 -0.59 0.02 0.00 0.00 175.30 175.04 2d6n s PHE 44 N -3.28 0.83 -0.02 -0.53 -0.12 -0.98 -1.83 117.98 112.05 2d6n s PHE 44 Ca 0.00 -1.15 0.00 0.00 -0.05 0.00 0.00 56.93 55.74 2d6n s PHE 44 Cb 0.02 -0.36 0.03 0.00 -0.63 0.00 0.00 43.02 42.08 2d6n s PHE 44 CO -0.08 -0.65 0.02 0.08 -0.05 0.00 0.00 175.22 174.53 2d6n s VAL 45 N -4.07 0.04 -0.18 -2.49 1.01 -0.02 -3.17 120.40 111.52 2d6n s VAL 45 Ca 0.28 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2d6n s VAL 45 Cb 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.29 2d6n s VAL 45 CO 0.06 0.11 -0.17 -0.69 0.00 0.00 0.00 175.10 174.41 2d6n s VAL 46 N 1.00 2.34 -0.13 2.92 1.01 -0.28 -1.34 120.40 125.91 2d6n s VAL 46 Ca -0.09 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2d6n s VAL 46 Cb -0.13 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 2d6n s VAL 46 CO -0.02 0.52 -0.18 0.20 0.00 0.00 0.00 175.10 175.62 2d6n s ASN 47 N 1.18 3.50 -0.39 3.32 0.02 0.62 -0.91 114.94 122.28 2d6n s ASN 47 Ca 0.02 -0.48 -0.13 0.00 -1.02 0.00 0.00 52.86 51.25 2d6n s ASN 47 Cb -0.14 -1.51 0.02 0.00 0.02 0.00 0.00 41.25 39.64 2d6n s ASN 47 CO -0.08 0.12 0.25 -0.36 0.02 0.00 0.00 177.10 177.05 2d6n s PHE 48 N 0.58 3.24 0.22 2.20 0.08 0.01 -0.75 117.98 123.57 2d6n s PHE 48 Ca -0.11 -0.80 0.04 0.00 0.12 0.00 0.00 56.93 56.18 2d6n s PHE 48 Cb -0.16 -2.50 -0.05 0.00 -0.57 0.00 0.00 43.02 39.73 2d6n s PHE 48 CO 0.03 -0.62 -0.03 1.14 -0.10 0.00 0.00 175.22 175.64 2d6n s GLN 49 N 1.61 1.33 -0.44 0.44 -2.07 -0.18 -1.11 119.66 119.24 2d6n s GLN 49 Ca 0.03 -1.65 -0.15 0.00 -1.82 0.00 0.00 55.36 51.77 2d6n s GLN 49 Cb -0.19 -0.72 0.05 0.00 -1.09 0.00 0.00 33.01 31.06 2d6n s GLN 49 CO 0.08 -0.04 0.34 -0.80 -1.32 0.00 0.00 175.29 173.55 2d6n s ASN 50 N -3.31 6.07 0.18 12.60 -0.87 -0.04 -1.94 114.94 127.63 2d6n s ASN 50 Ca 0.26 -1.16 0.00 0.00 -1.57 0.00 0.00 52.86 50.40 2d6n s ASN 50 Cb 0.05 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.13 2d6n s ASN 50 CO 0.08 -0.55 0.00 -0.24 -2.57 0.00 0.00 177.10 173.82 2d6n n SER 51 N 5.15 -2.97 0.08 -1.22 2.88 -1.26 -4.54 113.62 111.73 2d6n n SER 51 Ca -0.12 0.45 0.11 0.00 -1.33 0.00 0.00 58.87 57.99 2d6n n SER 51 Cb 0.45 -1.26 -0.04 0.00 -0.75 0.00 0.00 64.21 62.61 2d6n n SER 51 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2d6n n PHE 52 N -1.88 0.73 0.98 0.66 1.16 -1.26 -4.27 117.46 113.59 2d6n n PHE 52 Ca 0.00 0.21 0.14 0.00 -1.87 0.00 0.00 57.45 55.93 2d6n n PHE 52 Cb 0.19 -0.84 0.53 0.00 -1.61 0.00 0.00 39.48 37.75 2d6n n PHE 52 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 2d6n n ASN 53 N -2.56 0.14 -0.06 5.98 2.04 -1.26 -4.92 115.26 114.61 2d6n n ASN 53 Ca -0.01 0.34 -0.01 0.00 -0.44 0.00 0.00 54.58 54.46 2d6n n ASN 53 Cb 0.55 -0.34 -0.00 0.00 -2.53 0.00 0.00 39.78 37.46 2d6n n ASN 53 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2d6n n GLY 54 N 1.49 0.43 0.21 4.83 0.00 -1.26 -4.90 105.19 105.99 2d6n n GLY 54 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 0.26 -3.56 1.61 4.21 -1.91 -3.41 115.58 112.78 2d6n h ASN 55 Ca -0.02 -0.09 -0.64 0.00 1.21 0.00 0.00 56.30 56.77 2d6n h ASN 55 Cb 0.27 -0.07 -0.40 0.00 -1.12 0.00 0.00 38.32 37.00 2d6n h ASN 55 CO 0.02 0.56 -0.73 -1.81 -1.29 0.00 0.00 177.43 174.18 2d6n s ASP 56 N -6.87 4.53 -0.30 5.81 1.01 -1.26 -0.64 116.67 118.95 2d6n s ASP 56 Ca -0.05 -2.05 -0.00 0.00 0.71 0.00 0.00 52.55 51.16 2d6n s ASP 56 Cb 0.14 -1.41 0.06 0.00 1.01 0.00 0.00 42.92 42.73 2d6n s ASP 56 CO 0.76 -0.38 -0.01 -0.63 0.21 0.00 0.00 175.17 175.11 2d6n s ILE 57 N 1.05 2.73 0.25 0.77 1.01 0.42 -0.86 121.20 126.56 2d6n s ILE 57 Ca 0.11 -1.57 -0.04 0.00 0.00 0.00 0.00 60.65 59.15 2d6n s ILE 57 Cb -0.19 -2.63 0.17 0.00 0.01 0.00 0.00 42.46 39.83 2d6n s ILE 57 CO -0.12 -0.16 1.83 0.00 0.00 0.00 0.00 174.94 176.48 2d6n h ALA 58 N 7.91 1.17 -2.58 9.38 0.00 -1.34 0.11 119.26 133.91 2d6n h ALA 58 Ca -0.19 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.30 2d6n h ALA 58 Cb 1.05 -0.28 -0.33 0.00 0.00 0.00 0.00 17.79 18.22 2d6n h ALA 58 CO 0.52 0.60 -0.56 0.12 0.00 0.00 0.00 179.25 179.93 2d6n s PHE 59 N -5.48 -0.42 -0.22 0.00 5.36 -1.08 -4.56 117.98 111.57 2d6n s PHE 59 Ca -0.11 0.64 -0.07 0.00 -0.96 0.00 0.00 56.93 56.42 2d6n s PHE 59 Cb 0.16 -0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.64 2d6n s PHE 59 CO 0.82 -0.51 0.07 -1.58 -1.46 0.00 0.00 175.22 172.55 2d6n s HIS 60 N 2.40 3.13 -0.21 10.12 5.65 0.21 -0.81 115.29 135.78 2d6n s HIS 60 Ca 0.05 -0.24 0.01 0.00 0.25 0.00 0.00 55.06 55.13 2d6n s HIS 60 Cb -0.14 -2.18 0.04 0.00 -1.18 0.00 0.00 32.58 29.13 2d6n s HIS 60 CO -0.11 -0.18 -0.11 0.12 -0.65 0.00 0.00 174.74 173.82 2d6n s PHE 61 N 1.17 2.56 -0.41 3.88 5.36 -0.09 -1.71 117.98 128.74 2d6n s PHE 61 Ca 0.04 -1.71 0.02 0.00 -0.96 0.00 0.00 56.93 54.32 2d6n s PHE 61 Cb -0.14 -1.69 0.15 0.00 -0.34 0.00 0.00 43.02 41.00 2d6n s PHE 61 CO 0.03 -0.77 0.28 1.21 -1.46 0.00 0.00 175.22 174.51 2d6n s ASN 62 N 1.35 2.61 0.36 6.13 2.47 0.14 -1.13 114.94 126.87 2d6n s ASN 62 Ca -0.02 -2.68 -0.28 0.00 0.42 0.00 0.00 52.86 50.30 2d6n s ASN 62 Cb -0.17 -0.58 -0.10 0.00 -1.45 0.00 0.00 41.25 38.95 2d6n s ASN 62 CO -0.08 -0.24 1.33 -2.84 -3.72 0.00 0.00 177.10 171.55 2d6n s PRO 63 N 0.44 4.19 -0.15 0.43 0.02 -1.19 -1.03 135.00 137.70 2d6n s PRO 63 Ca 0.24 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.47 2d6n s PRO 63 Cb -0.12 -2.95 0.05 0.00 0.02 0.00 0.00 34.50 31.50 2d6n s PRO 63 CO -0.08 -0.33 0.01 1.03 -0.33 0.00 0.00 177.00 177.30 2d6n s ARG 64 N -1.99 0.73 -1.42 5.54 0.52 -0.19 -2.32 118.95 119.83 2d6n s ARG 64 Ca 0.52 -0.27 -0.09 0.00 -0.52 0.00 0.00 55.73 55.37 2d6n s ARG 64 Cb -0.40 -1.75 0.06 0.00 0.52 0.00 0.00 34.95 33.38 2d6n s ARG 64 CO 0.53 -0.51 2.37 1.19 0.02 0.00 0.00 175.30 178.89 2d6n n PHE 65 N 5.06 2.83 -3.97 -0.53 3.72 0.15 -2.32 117.46 122.40 2d6n n PHE 65 Ca -0.09 -2.92 -0.09 0.00 -0.05 0.00 0.00 57.45 54.31 2d6n n PHE 65 Cb 0.48 -2.18 -0.10 0.00 -0.94 0.00 0.00 39.48 36.74 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 0.99 0.50 -1.59 -1.08 2.02 -1.26 -4.84 118.70 113.44 2d6n s GLU 66 Ca 0.53 -0.76 -0.17 0.00 0.02 0.00 0.00 54.97 54.58 2d6n s GLU 66 Cb 0.15 0.19 0.15 0.00 0.10 0.00 0.00 34.13 34.72 2d6n s GLU 66 CO -0.06 -0.11 0.69 0.39 0.02 0.00 0.00 175.26 176.20 2d6n n GLU 67 N 0.97 -2.92 0.00 1.61 1.02 -1.26 -0.03 120.64 120.03 2d6n n GLU 67 Ca -0.20 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2d6n n GLU 67 Cb 0.58 -5.06 0.00 0.00 -0.02 0.00 0.00 31.44 26.94 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 -1.27 3.47 0.00 0.62 0.00 -1.26 -4.87 105.19 101.88 2d6n n GLY 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.98 1.86 3.61 -0.02 0.00 0.96 -4.78 105.19 104.85 2d6n n GLY 69 Ca 0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.28 -0.10 1.61 -0.85 -0.98 -3.41 117.35 113.33 2d6n s TYR 70 Ca 0.00 -0.06 0.03 0.00 -0.52 0.00 0.00 57.07 56.51 2d6n s TYR 70 Cb 0.00 0.56 0.01 0.00 0.38 0.00 0.00 41.96 42.91 2d6n s TYR 70 CO 0.00 -1.01 -0.18 0.08 -1.52 0.00 0.00 175.55 172.91 2d6n s VAL 71 N -3.85 1.69 -0.15 -3.49 1.01 -0.23 -1.02 120.40 114.36 2d6n s VAL 71 Ca 0.07 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 2d6n s VAL 71 Cb -0.03 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2d6n s VAL 71 CO -0.02 0.48 0.32 -0.69 0.00 0.00 0.00 175.10 175.18 2d6n s VAL 72 N 0.72 5.29 -0.05 2.92 1.01 -0.20 -1.50 120.40 128.58 2d6n s VAL 72 Ca -0.12 0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.52 2d6n s VAL 72 Cb -0.16 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2d6n s VAL 72 CO 0.02 0.39 -0.21 0.00 0.00 0.00 0.00 175.10 175.30 2d6n s ASN 74 N -0.42 -0.05 -0.01 0.00 3.84 -0.69 -1.23 114.94 116.37 2d6n s ASN 74 Ca 0.04 -0.92 0.03 0.00 0.21 0.00 0.00 52.86 52.22 2d6n s ASN 74 Cb -0.12 0.74 -0.00 0.00 -0.55 0.00 0.00 41.25 41.32 2d6n s ASN 74 CO 0.01 -1.45 -0.08 -0.89 -2.79 0.00 0.00 177.10 171.90 2d6n s THR 75 N -2.63 0.68 -0.13 -5.21 2.01 -1.26 -0.62 115.64 108.48 2d6n s THR 75 Ca 0.16 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 2d6n s THR 75 Cb -0.05 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2d6n s THR 75 CO 0.09 0.20 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.38 2d6n s LYS 76 N -0.13 3.44 -0.09 4.92 2.20 0.39 -0.86 119.74 129.61 2d6n s LYS 76 Ca 0.02 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 2d6n s LYS 76 Cb -0.04 -2.74 0.02 0.00 -1.51 0.00 0.00 37.83 33.56 2d6n s LYS 76 CO -0.00 0.27 -0.07 -0.65 -0.36 0.00 0.00 175.35 174.54 2d6n s GLN 77 N 0.23 1.34 -1.12 4.03 -0.21 0.16 -0.44 119.66 123.65 2d6n s GLN 77 Ca -0.06 -0.22 -0.06 0.00 0.02 0.00 0.00 55.36 55.04 2d6n s GLN 77 Cb -0.15 -1.35 0.05 0.00 1.00 0.00 0.00 33.01 32.56 2d6n s GLN 77 CO 0.04 -0.17 0.31 0.09 -2.12 0.00 0.00 175.29 173.44 2d6n n ASN 78 N 4.56 -3.54 0.00 5.90 4.13 -1.11 -0.72 115.26 124.47 2d6n n ASN 78 Ca -0.16 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 55.94 2d6n n ASN 78 Cb 0.51 -2.97 0.00 0.00 -1.54 0.00 0.00 39.78 35.77 2d6n n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d6n n GLY 79 N -1.01 0.98 3.63 7.41 0.00 0.19 -5.02 105.19 111.37 2d6n n GLY 79 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2d6n n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2d6n s GLN 80 N -0.60 3.97 0.21 1.61 2.00 0.10 -5.05 119.66 121.90 2d6n s GLN 80 Ca 0.00 -0.34 -0.30 0.00 -2.00 0.00 0.00 55.36 52.72 2d6n s GLN 80 Cb 0.00 -3.27 -0.08 0.00 0.80 0.00 0.00 33.01 30.46 2d6n s GLN 80 CO 0.00 0.22 1.03 -1.58 -0.50 0.00 0.00 175.29 174.46 2d6n s TRP 81 N 0.53 3.75 0.00 1.67 0.52 -1.26 -0.67 118.94 123.48 2d6n s TRP 81 Ca 0.04 1.75 0.00 0.00 0.02 0.00 0.00 56.10 57.91 2d6n s TRP 81 Cb -0.13 -3.15 0.00 0.00 -1.15 0.00 0.00 33.47 29.04 2d6n s TRP 81 CO 0.01 -0.13 0.00 0.41 0.02 0.00 0.00 176.95 177.26 2d6n n GLY 82 N 1.72 -0.52 3.69 0.98 0.00 -0.04 -4.96 105.19 106.05 2d6n n GLY 82 Ca 0.00 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.82 4.37 0.49 1.61 0.04 -1.26 -4.84 135.00 134.60 2d6n s PRO 83 Ca 0.00 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 2d6n s PRO 83 Cb 0.00 -3.52 -0.07 0.00 0.04 0.00 0.00 34.50 30.96 2d6n s PRO 83 CO 0.00 -0.41 1.16 -1.21 0.04 0.00 0.00 177.00 176.59 2d6n s GLU 84 N 1.98 3.58 -0.27 4.56 2.02 -1.26 -4.81 118.70 124.50 2d6n s GLU 84 Ca 0.57 1.75 -0.01 0.00 0.02 0.00 0.00 54.97 57.29 2d6n s GLU 84 Cb -0.26 -2.27 0.04 0.00 0.10 0.00 0.00 34.13 31.75 2d6n s GLU 84 CO 0.24 -0.69 -0.04 -1.21 0.02 0.00 0.00 175.26 173.58 2d6n s GLU 85 N -2.90 2.62 -0.24 1.61 2.02 -0.37 -4.99 118.70 116.45 2d6n s GLU 85 Ca 0.67 -1.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.47 2d6n s GLU 85 Cb -0.28 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 2d6n s GLU 85 CO 0.33 -0.51 0.04 1.03 0.02 0.00 0.00 175.26 176.17 2d6n s ARG 86 N 1.28 3.52 -0.29 1.61 0.52 -1.26 -1.10 118.95 123.23 2d6n s ARG 86 Ca -0.03 -0.56 -0.16 0.00 -0.52 0.00 0.00 55.73 54.47 2d6n s ARG 86 Cb -0.18 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2d6n s ARG 86 CO -0.03 -0.21 0.41 0.21 0.02 0.00 0.00 175.30 175.69 2d6n s LYS 87 N 1.56 3.92 -1.41 3.54 2.47 -0.57 -4.94 119.74 124.32 2d6n s LYS 87 Ca 0.06 -0.01 -0.09 0.00 -1.56 0.00 0.00 55.97 54.38 2d6n s LYS 87 Cb -0.15 -3.69 0.07 0.00 -1.46 0.00 0.00 37.83 32.60 2d6n s LYS 87 CO 0.01 -0.36 2.39 -1.33 0.16 0.00 0.00 175.35 176.22 2d6n n MET 88 N 5.41 3.92 -3.62 4.03 2.81 -1.26 -1.07 117.12 127.35 2d6n n MET 88 Ca -0.08 -3.05 -0.13 0.00 -1.81 0.00 0.00 57.70 52.63 2d6n n MET 88 Cb 0.50 -2.83 -0.07 0.00 -0.71 0.00 0.00 33.22 30.12 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 0.59 0.78 -0.35 0.03 0.74 -1.22 -4.92 119.66 115.31 2d6n s GLN 89 Ca 0.54 0.78 -0.04 0.00 0.05 0.00 0.00 55.36 56.69 2d6n s GLN 89 Cb 0.16 0.38 0.07 0.00 1.10 0.00 0.00 33.01 34.71 2d6n s GLN 89 CO -0.06 -0.12 0.11 1.41 -0.55 0.00 0.00 175.29 176.07 2d6n s MET 90 N 0.08 2.35 0.00 1.67 -2.45 -1.25 -3.80 119.30 115.90 2d6n s MET 90 Ca -0.01 -1.44 0.28 0.00 -1.25 0.00 0.00 55.69 53.28 2d6n s MET 90 Cb -0.04 -3.42 1.03 0.00 1.25 0.00 0.00 34.83 33.66 2d6n s MET 90 CO 0.00 -0.80 1.75 -0.35 1.05 0.00 0.00 175.02 176.68 2d6n n PRO 91 N 4.68 0.49 -3.93 4.11 -0.04 -1.26 -4.86 135.00 134.19 2d6n n PRO 91 Ca -0.09 -0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 62.96 2d6n n PRO 91 Cb 0.43 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.64 3.32 -0.03 0.54 0.08 -1.26 -4.94 117.98 113.05 2d6n s PHE 92 Ca 0.23 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.24 2d6n s PHE 92 Cb 0.19 -1.60 -0.00 0.00 -0.57 0.00 0.00 43.02 41.04 2d6n s PHE 92 CO 0.53 0.39 -0.12 -0.65 -0.10 0.00 0.00 175.22 175.26 2d6n s GLN 93 N -3.98 1.24 0.21 0.44 1.11 -1.26 -5.10 119.66 112.31 2d6n s GLN 93 Ca 0.35 -0.43 -0.32 0.00 0.01 0.00 0.00 55.36 54.97 2d6n s GLN 93 Cb -0.09 -1.13 -0.13 0.00 -1.01 0.00 0.00 33.01 30.66 2d6n s GLN 93 CO 0.28 0.19 1.63 1.63 0.01 0.00 0.00 175.29 179.03 2d6n n LYS 94 N 3.15 2.48 -0.08 2.91 5.02 -1.26 -1.81 118.16 128.57 2d6n n LYS 94 Ca -0.17 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 2d6n n LYS 94 Cb 0.54 -2.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 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 3.38 1.64 3.80 0.72 0.00 0.64 -4.80 105.19 110.57 2d6n n GLY 95 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.41 3.06 0.75 1.61 -1.94 -0.75 -4.78 119.30 116.84 2d6n s MET 96 Ca 0.00 -0.54 -0.14 0.00 -1.71 0.00 0.00 55.69 53.31 2d6n s MET 96 Cb 0.00 -2.85 0.05 0.00 2.01 0.00 0.00 34.83 34.04 2d6n s MET 96 CO 0.00 0.62 1.17 -1.25 -0.01 0.00 0.00 175.02 175.55 2d6n s PRO 97 N -2.03 2.09 0.06 2.03 0.04 -1.26 -1.89 135.00 134.04 2d6n s PRO 97 Ca 0.26 1.60 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 2d6n s PRO 97 Cb -0.12 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 2d6n s PRO 97 CO 0.18 -1.84 0.18 -0.59 0.04 0.00 0.00 177.00 174.97 2d6n s PHE 98 N -2.25 0.12 -0.12 0.56 -0.12 0.16 -4.88 117.98 111.45 2d6n s PHE 98 Ca 0.70 -0.46 0.02 0.00 -0.05 0.00 0.00 56.93 57.15 2d6n s PHE 98 Cb -0.25 -0.06 -0.00 0.00 -0.63 0.00 0.00 43.02 42.07 2d6n s PHE 98 CO 0.48 -0.48 -0.19 -2.00 -0.05 0.00 0.00 175.22 172.97 2d6n s GLU 99 N -3.24 3.16 -0.18 1.99 2.12 -1.26 -2.01 118.70 119.28 2d6n s GLU 99 Ca 0.00 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.53 2d6n s GLU 99 Cb 0.02 -2.46 0.04 0.00 0.26 0.00 0.00 34.13 31.99 2d6n s GLU 99 CO -0.08 0.14 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.52 2d6n s LEU 100 N 0.48 2.03 -0.11 2.70 2.96 0.66 -0.23 118.68 127.16 2d6n s LEU 100 Ca -0.13 -0.78 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 2d6n s LEU 100 Cb -0.17 -1.15 -0.00 0.00 0.50 0.00 0.00 46.19 45.37 2d6n s LEU 100 CO 0.05 -0.14 -0.21 0.00 -1.32 0.00 0.00 176.35 174.74 2d6n s PHE 102 N 0.42 3.10 -0.21 0.00 0.08 0.12 -0.77 117.98 120.71 2d6n s PHE 102 Ca -0.15 -1.04 -0.07 0.00 0.12 0.00 0.00 56.93 55.79 2d6n s PHE 102 Cb -0.17 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.06 2d6n s PHE 102 CO 0.07 -0.58 0.05 -1.17 -0.10 0.00 0.00 175.22 173.48 2d6n s LEU 103 N 1.47 3.49 -0.37 -0.37 2.96 0.38 -0.21 118.68 126.04 2d6n s LEU 103 Ca 0.03 -0.12 -0.25 0.00 -0.22 0.00 0.00 54.13 53.57 2d6n s LEU 103 Cb -0.16 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.63 2d6n s LEU 103 CO 0.00 0.06 0.88 -0.69 -1.32 0.00 0.00 176.35 175.28 2d6n s VAL 104 N 1.05 4.63 0.45 1.68 1.01 -0.30 -0.56 120.40 128.36 2d6n s VAL 104 Ca 0.03 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.15 2d6n s VAL 104 Cb -0.14 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2d6n s VAL 104 CO 0.03 -0.51 0.30 -1.10 0.00 0.00 0.00 175.10 173.82 2d6n s GLN 105 N 3.35 2.34 0.16 2.72 -0.21 0.27 0.23 119.66 128.52 2d6n s GLN 105 Ca 0.36 -1.80 -0.21 0.00 0.02 0.00 0.00 55.36 53.73 2d6n s GLN 105 Cb -0.12 -2.13 0.07 0.00 1.00 0.00 0.00 33.01 31.82 2d6n s GLN 105 CO 0.18 -0.28 1.63 -0.09 -2.12 0.00 0.00 175.29 174.61 2d6n h ARG 106 N 1.11 -0.18 0.00 2.91 9.65 -1.97 -3.25 114.38 122.65 2d6n h ARG 106 Ca -0.41 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 2d6n h ARG 106 Cb 1.27 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 2d6n h ARG 106 CO 0.62 -0.12 -1.27 -1.13 2.80 0.00 0.00 179.97 180.88 2d6n n SER 107 N -5.38 0.73 -3.64 -3.80 3.41 -1.26 -4.95 113.62 98.73 2d6n n SER 107 Ca 0.01 -0.66 -0.10 0.00 -0.26 0.00 0.00 58.87 57.86 2d6n n SER 107 Cb 0.29 1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 65.51 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 -3.07 1.34 0.22 4.33 1.03 -1.23 -1.85 118.70 119.48 2d6n s GLU 108 Ca 0.03 -0.74 -0.19 0.00 0.03 0.00 0.00 54.97 54.10 2d6n s GLU 108 Cb 0.15 0.54 -0.08 0.00 -0.80 0.00 0.00 34.13 33.93 2d6n s GLU 108 CO 0.83 -0.57 0.72 -0.06 -1.33 0.00 0.00 175.26 174.85 2d6n s PHE 109 N -3.83 3.63 -0.10 4.83 0.08 0.22 -0.56 117.98 122.25 2d6n s PHE 109 Ca 0.06 1.36 0.02 0.00 0.12 0.00 0.00 56.93 58.49 2d6n s PHE 109 Cb -0.01 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.82 2d6n s PHE 109 CO -0.06 0.33 -0.15 0.15 -0.10 0.00 0.00 175.22 175.38 2d6n s LYS 110 N -2.04 3.03 -0.20 0.44 1.02 0.27 -1.34 119.74 120.93 2d6n s LYS 110 Ca 0.43 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 2d6n s LYS 110 Cb -0.16 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 2d6n s LYS 110 CO 0.21 0.36 -0.11 0.08 -0.92 0.00 0.00 175.35 174.96 2d6n s VAL 111 N -0.03 2.87 -0.03 3.17 1.01 0.17 -0.47 120.40 127.09 2d6n s VAL 111 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2d6n s VAL 111 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2d6n s VAL 111 CO 0.04 0.47 -0.00 -0.04 0.00 0.00 0.00 175.10 175.57 2d6n s MET 112 N 1.29 2.84 -0.11 2.72 1.00 0.05 -0.37 119.30 126.73 2d6n s MET 112 Ca 0.04 -0.54 0.02 0.00 0.00 0.00 0.00 55.69 55.20 2d6n s MET 112 Cb -0.14 -2.70 0.01 0.00 0.00 0.00 0.00 34.83 32.00 2d6n s MET 112 CO -0.06 0.65 -0.16 0.08 0.00 0.00 0.00 175.02 175.53 2d6n s VAL 113 N -1.00 1.59 -1.57 -6.03 1.01 0.06 -0.89 120.40 113.57 2d6n s VAL 113 Ca 0.17 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 2d6n s VAL 113 Cb -0.11 -1.44 0.10 0.00 0.00 0.00 0.00 36.38 34.92 2d6n s VAL 113 CO 0.07 0.46 0.80 0.59 0.00 0.00 0.00 175.10 177.02 2d6n n ASN 114 N 4.15 -3.25 0.00 3.32 3.02 0.68 -1.87 115.26 121.30 2d6n n ASN 114 Ca -0.19 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2d6n n ASN 114 Cb 0.51 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 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 -4.49 0.00 -4.31 3.52 4.76 -1.26 -5.00 118.16 111.37 2d6n n LYS 115 Ca -0.02 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.07 2d6n n LYS 115 Cb 0.55 -1.20 -0.10 0.00 -1.84 0.00 0.00 35.03 32.44 2d6n n LYS 115 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2d6n s LYS 116 N -0.19 3.17 0.19 1.97 1.02 -0.78 -5.02 119.74 120.10 2d6n s LYS 116 Ca 0.00 -0.39 -0.33 0.00 0.02 0.00 0.00 55.97 55.27 2d6n s LYS 116 Cb 0.00 -2.87 -0.15 0.00 -0.52 0.00 0.00 37.83 34.29 2d6n s LYS 116 CO 0.00 0.62 1.33 0.34 -0.92 0.00 0.00 175.35 176.73 2d6n n PHE 117 N 2.40 1.79 -0.01 3.18 7.35 -1.26 -0.76 117.46 130.14 2d6n n PHE 117 Ca -0.18 0.52 -0.03 0.00 -0.76 0.00 0.00 57.45 57.00 2d6n n PHE 117 Cb 0.53 -2.39 -0.01 0.00 0.35 0.00 0.00 39.48 37.96 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 2.01 0.00 -3.65 -5.13 7.35 0.51 -4.81 117.46 113.74 2d6n n PHE 118 Ca 0.14 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.68 2d6n n PHE 118 Cb 0.27 -0.10 -0.08 0.00 0.35 0.00 0.00 39.48 39.93 2d6n n PHE 118 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2d6n s VAL 119 N -2.05 0.02 0.08 -2.13 0.11 -1.12 -5.03 120.40 110.28 2d6n s VAL 119 Ca -0.04 -0.19 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 2d6n s VAL 119 Cb 0.01 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 2d6n s VAL 119 CO 0.05 -0.11 0.08 -1.58 -3.33 0.00 0.00 175.10 170.21 2d6n s GLN 120 N -0.95 2.88 -0.11 1.54 0.74 -1.26 -0.65 119.66 121.84 2d6n s GLN 120 Ca -0.10 -0.68 -0.03 0.00 0.05 0.00 0.00 55.36 54.60 2d6n s GLN 120 Cb -0.03 -2.73 0.04 0.00 1.10 0.00 0.00 33.01 31.40 2d6n s GLN 120 CO 0.06 0.57 0.06 -0.47 -0.55 0.00 0.00 175.29 174.96 2d6n s TYR 121 N -1.38 0.28 0.22 1.67 5.04 -0.45 -5.00 117.35 117.74 2d6n s TYR 121 Ca 0.29 -0.13 -0.30 0.00 -2.44 0.00 0.00 57.07 54.49 2d6n s TYR 121 Cb -0.12 -0.66 -0.09 0.00 0.35 0.00 0.00 41.96 41.44 2d6n s TYR 121 CO 0.22 -0.37 1.31 -0.65 -1.34 0.00 0.00 175.55 174.71 2d6n s GLN 122 N 2.10 4.39 0.20 4.97 -1.52 -1.26 -0.61 119.66 127.93 2d6n s GLN 122 Ca 0.03 2.07 -0.32 0.00 -1.95 0.00 0.00 55.36 55.20 2d6n s GLN 122 Cb -0.14 -3.18 -0.12 0.00 -0.22 0.00 0.00 33.01 29.35 2d6n s GLN 122 CO -0.06 -0.24 1.71 -1.01 -0.25 0.00 0.00 175.29 175.44 2d6n s HIS 123 N -0.04 2.88 -0.19 0.91 3.76 -0.77 -4.90 115.29 116.94 2d6n s HIS 123 Ca 0.56 0.35 0.15 0.00 -0.15 0.00 0.00 55.06 55.97 2d6n s HIS 123 Cb -0.37 -4.12 -0.22 0.00 1.11 0.00 0.00 32.58 28.98 2d6n s HIS 123 CO 0.40 -4.25 0.04 0.54 -0.85 0.00 0.00 174.74 170.62 2d6n n ARG 124 N 4.08 0.97 -4.45 1.40 1.74 -1.26 -4.99 116.66 114.15 2d6n n ARG 124 Ca 0.16 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 2d6n n ARG 124 Cb 0.36 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.45 1.93 0.12 1.55 -7.23 -1.26 -5.11 120.40 107.96 2d6n s VAL 125 Ca -0.11 -2.20 -0.31 0.00 -1.81 0.00 0.00 61.98 57.55 2d6n s VAL 125 Cb 0.06 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 34.46 2d6n s VAL 125 CO 0.73 -0.33 1.83 -2.84 -0.31 0.00 0.00 175.10 174.18 2d6n s PRO 126 N -3.65 4.14 0.38 4.82 0.02 -1.26 -4.90 135.00 134.55 2d6n s PRO 126 Ca 0.29 2.59 0.18 0.00 0.02 0.00 0.00 61.00 64.09 2d6n s PRO 126 Cb 0.02 -3.60 0.74 0.00 0.02 0.00 0.00 34.50 31.68 2d6n s PRO 126 CO 0.13 -0.84 1.77 0.10 -0.33 0.00 0.00 177.00 177.83 2d6n h TYR 127 N 8.61 0.00 0.00 6.54 -0.00 -1.97 -3.15 116.97 127.00 2d6n h TYR 127 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.26 2d6n h TYR 127 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.95 2d6n h TYR 127 CO 0.79 0.37 -0.05 1.12 -0.00 0.00 0.00 178.16 180.39 2d6n h HIS 128 N 0.00 0.00 0.00 0.10 2.07 -1.91 -1.64 115.15 113.77 2d6n h HIS 128 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2d6n h HIS 128 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 2d6n h HIS 128 CO 0.00 0.05 0.00 1.28 -3.07 0.00 0.00 177.93 176.19 2d6n n LEU 129 N -3.30 0.00 -4.66 6.12 4.77 -1.19 -4.28 117.00 114.47 2d6n n LEU 129 Ca -0.01 0.41 -0.43 0.00 -0.03 0.00 0.00 56.01 55.95 2d6n n LEU 129 Cb 0.22 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2d6n n LEU 129 CO 0.27 -0.04 0.97 -0.69 -1.33 0.00 0.00 177.39 176.57 2d6n s VAL 130 N -2.83 4.55 -0.01 4.08 1.01 -0.62 -4.35 120.40 122.24 2d6n s VAL 130 Ca 0.18 1.88 0.01 0.00 0.00 0.00 0.00 61.98 64.05 2d6n s VAL 130 Cb 0.18 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2d6n s VAL 130 CO 0.46 -0.17 0.83 -0.90 0.00 0.00 0.00 175.10 175.32 2d6n n ASP 131 N 6.42 1.20 -3.77 3.32 5.68 -0.82 -1.87 116.55 126.71 2d6n n ASP 131 Ca 0.13 -1.71 -0.13 0.00 -0.50 0.00 0.00 54.79 52.57 2d6n n ASP 131 Cb 0.46 -0.04 -0.11 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.00 -0.07 2.12 2.01 -0.90 -0.60 115.64 117.47 2d6n s THR 132 Ca 0.02 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.06 2d6n s THR 132 Cb 0.02 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 2d6n s THR 132 CO 0.00 0.00 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.24 2d6n s ILE 133 N 0.19 2.69 -0.10 1.82 2.07 -0.07 -1.01 121.20 126.79 2d6n s ILE 133 Ca -0.00 -0.84 0.01 0.00 -1.41 0.00 0.00 60.65 58.41 2d6n s ILE 133 Cb -0.02 -2.05 0.02 0.00 0.13 0.00 0.00 42.46 40.54 2d6n s ILE 133 CO 0.00 0.57 -0.10 0.00 -1.91 0.00 0.00 174.94 173.50 2d6n s ALA 134 N -0.28 1.39 -0.10 1.50 0.00 0.07 -1.31 121.76 123.02 2d6n s ALA 134 Ca 0.01 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.45 2d6n s ALA 134 Cb -0.13 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 2d6n s ALA 134 CO 0.03 -0.23 -0.23 0.08 0.00 0.00 0.00 175.76 175.41 2d6n s VAL 135 N 1.33 2.19 0.21 0.00 1.01 0.46 -0.28 120.40 125.32 2d6n s VAL 135 Ca -0.02 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 2d6n s VAL 135 Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2d6n s VAL 135 CO -0.05 0.56 0.34 -0.94 0.00 0.00 0.00 175.10 175.02 2d6n s SER 136 N 0.32 -0.00 0.00 3.32 1.04 -0.45 -0.52 113.70 117.41 2d6n s SER 136 Ca -0.17 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2d6n s SER 136 Cb -0.18 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2d6n s SER 136 CO 0.08 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2d6n n GLY 137 N -0.31 -0.99 2.34 7.32 0.00 -1.26 -0.84 105.19 111.45 2d6n n GLY 137 Ca -0.03 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.80 1.23 0.21 0.00 2.34 -1.26 -1.43 118.68 118.97 2d6n s LEU 139 Ca 0.64 -1.37 0.06 0.00 0.06 0.00 0.00 54.13 53.52 2d6n s LEU 139 Cb 0.21 0.36 -0.05 0.00 -0.56 0.00 0.00 46.19 46.16 2d6n s LEU 139 CO -0.08 -0.82 -0.09 -1.59 -1.06 0.00 0.00 176.35 172.70 2d6n s LYS 140 N -4.14 1.31 0.00 1.48 -2.85 -0.16 -4.86 119.74 110.53 2d6n s LYS 140 Ca 0.37 -1.61 0.01 0.00 -1.00 0.00 0.00 55.97 53.74 2d6n s LYS 140 Cb 0.07 -0.93 -0.01 0.00 -2.06 0.00 0.00 37.83 34.90 2d6n s LYS 140 CO 0.11 0.09 -0.04 -0.51 0.10 0.00 0.00 175.35 175.09 2d6n s LEU 141 N -3.31 2.06 -0.20 2.77 1.43 -1.26 -0.69 118.68 119.47 2d6n s LEU 141 Ca 0.23 -0.16 0.14 0.00 -1.03 0.00 0.00 54.13 53.32 2d6n s LEU 141 Cb 0.02 -0.16 -0.22 0.00 0.03 0.00 0.00 46.19 45.86 2d6n s LEU 141 CO 0.07 -0.01 0.01 -1.54 0.23 0.00 0.00 176.35 175.10 2d6n n SER 142 N 2.70 0.64 -3.78 2.29 3.41 0.82 -3.80 113.62 115.89 2d6n n SER 142 Ca -0.15 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.31 2d6n n SER 142 Cb 0.58 0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 65.14 2d6n n SER 142 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2d6n s PHE 143 N -2.47 -0.13 -0.17 7.33 -0.71 -1.16 -0.46 117.98 120.20 2d6n s PHE 143 Ca -0.14 0.15 0.01 0.00 -1.04 0.00 0.00 56.93 55.91 2d6n s PHE 143 Cb 0.06 0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2d6n s PHE 143 CO 0.74 -0.38 -0.20 0.42 -1.34 0.00 0.00 175.22 174.46 2d6n s ILE 144 N -1.48 2.02 0.27 -4.49 1.01 -0.15 -1.45 121.20 116.93 2d6n s ILE 144 Ca -0.13 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.69 2d6n s ILE 144 Cb -0.05 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2d6n s ILE 144 CO 0.03 0.53 0.02 0.42 0.00 0.00 0.00 174.94 175.94 2d6n s THR 145 N 1.27 3.54 -0.09 2.92 -4.23 0.07 -1.50 115.64 117.61 2d6n s THR 145 Ca 0.04 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 58.69 2d6n s THR 145 Cb -0.13 -2.90 0.03 0.00 1.34 0.00 0.00 72.50 70.83 2d6n s THR 145 CO -0.12 -0.37 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.18 2d6n s PHE 146 N -2.31 1.19 0.05 3.99 0.08 -1.26 -1.76 117.98 117.96 2d6n s PHE 146 Ca 0.32 -0.52 -0.00 0.00 0.12 0.00 0.00 56.93 56.84 2d6n s PHE 146 Cb -0.06 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 2d6n s PHE 146 CO 0.20 -0.43 -0.04 -0.65 -0.10 0.00 0.00 175.22 174.21 2d6n s GLN 147 N 1.71 0.54 0.05 0.44 -0.21 -0.57 -1.40 119.66 120.22 2d6n s GLN 147 Ca 0.03 -1.02 0.05 0.00 0.02 0.00 0.00 55.36 54.44 2d6n s GLN 147 Cb -0.13 0.09 -0.02 0.00 1.00 0.00 0.00 33.01 33.95 2d6n s GLN 147 CO -0.06 -0.07 -0.14 -0.08 -2.12 0.00 0.00 175.29 172.82 2d6n s THR 148 N -2.98 1.08 -0.84 -0.19 -1.32 0.84 0.44 115.64 112.68 2d6n s THR 148 Ca -0.00 -1.08 0.27 0.00 -1.21 0.00 0.00 61.69 59.66 2d6n s THR 148 Cb 0.01 -1.01 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 2d6n s THR 148 CO -0.06 -0.08 1.82 0.00 -2.21 0.00 0.00 174.62 174.09 2d6n n GLN 149 N 1.71 0.16 -2.67 7.08 0.00 -1.12 -0.48 117.38 122.06 2d6n n GLN 149 Ca -0.19 0.13 -0.43 0.00 0.00 0.00 0.00 57.00 56.51 2d6n n GLN 149 Cb 0.55 -1.68 -0.02 0.00 0.00 0.00 0.00 30.24 29.08 2d6n n GLN 149 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2d6n s ASN 150 N -3.91 7.20 0.00 2.61 0.01 -1.26 -4.91 114.94 114.68 2d6n s ASN 150 Ca 0.12 1.50 0.22 0.00 -0.71 0.00 0.00 52.86 53.99 2d6n s ASN 150 Cb 0.15 -2.55 1.32 0.00 0.41 0.00 0.00 41.25 40.58 2d6n s ASN 150 CO 0.58 -0.51 1.70 2.22 -1.51 0.00 0.00 177.10 179.57