#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1p s SER 0 N 0.00 7.52 0.15 1.61 0.15 -1.26 -4.95 113.70 116.92 2d1p s SER 0 Ca 0.00 1.99 0.11 0.00 0.70 0.00 0.00 55.95 58.74 2d1p s SER 0 Cb 0.00 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2d1p s SER 0 CO 0.00 0.03 -0.23 -0.04 1.20 0.00 0.00 173.24 174.20 2d1p s MET 1 N -0.92 1.56 -0.33 5.44 1.00 -1.26 -4.96 119.30 119.83 2d1p s MET 1 Ca 0.43 -1.36 -0.18 0.00 0.00 0.00 0.00 55.69 54.58 2d1p s MET 1 Cb -0.27 -1.95 -0.01 0.00 0.00 0.00 0.00 34.83 32.60 2d1p s MET 1 CO 0.33 0.44 0.53 1.03 0.00 0.00 0.00 175.02 177.36 2d1p s ARG 2 N -2.31 3.76 0.04 2.03 1.81 -1.26 -1.44 118.95 121.57 2d1p s ARG 2 Ca 0.18 0.00 0.02 0.00 -1.72 0.00 0.00 55.73 54.21 2d1p s ARG 2 Cb -0.09 -3.76 -0.04 0.00 -0.45 0.00 0.00 34.95 30.60 2d1p s ARG 2 CO 0.09 -0.58 0.07 -0.06 -0.68 0.00 0.00 175.30 174.14 2d1p s PHE 3 N 2.42 3.21 -0.07 -0.53 0.08 0.12 -0.99 117.98 122.21 2d1p s PHE 3 Ca 0.20 0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.39 2d1p s PHE 3 Cb -0.15 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2d1p s PHE 3 CO 0.12 0.52 -0.07 0.00 -0.10 0.00 0.00 175.22 175.69 2d1p s ALA 4 N -1.27 1.04 -0.07 5.36 0.00 -0.68 -0.22 121.76 125.91 2d1p s ALA 4 Ca 0.26 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.92 2d1p s ALA 4 Cb -0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2d1p s ALA 4 CO 0.17 -0.12 -0.09 0.42 0.00 0.00 0.00 175.76 176.14 2d1p s ILE 5 N 1.15 3.53 -0.20 0.00 1.01 -0.24 -1.97 121.20 124.49 2d1p s ILE 5 Ca -0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 2d1p s ILE 5 Cb -0.14 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 2d1p s ILE 5 CO -0.01 0.59 -0.08 -0.69 0.00 0.00 0.00 174.94 174.74 2d1p s VAL 6 N -0.64 3.15 -0.20 2.92 1.01 -0.61 0.35 120.40 126.38 2d1p s VAL 6 Ca 0.10 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 2d1p s VAL 6 Cb -0.11 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2d1p s VAL 6 CO 0.02 0.46 -0.01 -0.69 0.00 0.00 0.00 175.10 174.87 2d1p s VAL 7 N 1.26 3.85 -0.15 2.92 1.01 0.18 0.61 120.40 130.08 2d1p s VAL 7 Ca 0.03 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2d1p s VAL 7 Cb -0.14 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2d1p s VAL 7 CO -0.03 0.43 0.79 0.35 0.00 0.00 0.00 175.10 176.64 2d1p n THR 8 N 4.30 0.51 -4.30 3.92 -2.24 -1.17 -1.66 114.28 113.65 2d1p n THR 8 Ca -0.17 -0.76 -0.25 0.00 -2.27 0.00 0.00 64.05 60.60 2d1p n THR 8 Cb 0.52 0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 69.42 2d1p n THR 8 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2d1p s GLY 9 N -0.57 1.71 0.99 3.38 0.00 -1.26 -2.83 107.32 108.73 2d1p s GLY 9 Ca 0.02 -1.56 -0.12 0.00 0.00 0.00 0.00 44.72 43.07 2d1p s GLY 9 CO 0.02 -1.60 1.08 2.56 0.00 0.00 0.00 173.10 175.17 2d1p s PRO 10 N -3.17 0.52 0.14 2.90 0.04 -1.20 -3.77 135.00 130.47 2d1p s PRO 10 Ca 0.28 0.71 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 2d1p s PRO 10 Cb -0.08 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2d1p s PRO 10 CO 0.17 -2.72 1.66 0.00 0.04 0.00 0.00 177.00 176.15 2d1p h ALA 11 N -1.89 0.58 -3.64 8.56 0.00 -1.84 -3.39 119.26 117.65 2d1p h ALA 11 Ca -0.53 -0.18 -0.49 0.00 0.00 0.00 0.00 54.91 53.71 2d1p h ALA 11 Cb 1.31 -0.17 -0.32 0.00 0.00 0.00 0.00 17.79 18.61 2d1p h ALA 11 CO 0.55 0.24 -0.81 -0.47 0.00 0.00 0.00 179.25 178.77 2d1p s TYR 12 N -5.38 1.28 0.00 0.00 5.04 -1.26 -4.82 117.35 112.21 2d1p s TYR 12 Ca -0.13 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.10 2d1p s TYR 12 Cb 0.11 -0.92 0.00 0.00 0.35 0.00 0.00 41.96 41.49 2d1p s TYR 12 CO 0.77 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 175.20 2d1p n GLY 13 N 3.54 4.16 3.22 8.97 0.00 -1.26 -5.10 105.19 118.72 2d1p n GLY 13 Ca -0.21 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 2d1p n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d1p s THR 14 N 0.00 0.06 -0.92 2.61 -4.23 -1.26 -5.06 115.64 106.83 2d1p s THR 14 Ca 0.00 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 2d1p s THR 14 Cb 0.00 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 2d1p s THR 14 CO 0.00 0.00 1.32 1.67 -0.54 0.00 0.00 174.62 177.07 2d1p n GLN 15 N -0.33 0.06 -0.18 3.99 7.27 -1.26 -4.53 117.38 122.40 2d1p n GLN 15 Ca 0.02 0.01 -0.03 0.00 0.07 0.00 0.00 57.00 57.07 2d1p n GLN 15 Cb 0.66 -1.53 0.03 0.00 2.41 0.00 0.00 30.24 31.81 2d1p n GLN 15 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2d1p h GLN 16 N 0.00 -0.09 -0.48 3.69 1.08 -1.93 -0.29 115.11 117.09 2d1p h GLN 16 Ca 0.00 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 2d1p h GLN 16 Cb 0.55 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 2d1p h GLN 16 CO 0.00 -0.06 0.10 0.00 -0.95 0.00 0.00 178.83 177.92 2d1p h ALA 17 N 1.29 1.29 -0.27 3.87 0.00 -1.77 -1.00 119.26 122.66 2d1p h ALA 17 Ca 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2d1p h ALA 17 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2d1p h ALA 17 CO -0.61 0.50 -0.03 0.77 0.00 0.00 0.00 179.25 179.88 2d1p h SER 18 N 0.70 0.50 -0.29 0.00 0.02 -1.55 -1.36 113.55 111.58 2d1p h SER 18 Ca 0.16 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.66 2d1p h SER 18 Cb 0.28 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2d1p h SER 18 CO -0.00 0.72 -0.18 0.77 -1.14 0.00 0.00 176.83 177.00 2d1p h SER 19 N 0.27 0.75 -0.93 3.07 4.64 -0.86 -1.22 113.55 119.28 2d1p h SER 19 Ca 0.07 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2d1p h SER 19 Cb 0.48 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 2d1p h SER 19 CO 0.02 0.93 0.56 0.00 -0.87 0.00 0.00 176.83 177.47 2d1p h ALA 20 N 1.13 1.24 -0.47 5.18 0.00 -1.08 0.25 119.26 125.52 2d1p h ALA 20 Ca 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2d1p h ALA 20 Cb 0.68 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2d1p h ALA 20 CO 0.05 0.65 -0.01 0.35 0.00 0.00 0.00 179.25 180.29 2d1p h PHE 21 N 1.28 0.91 -0.01 0.00 3.57 -0.78 0.14 116.94 122.05 2d1p h PHE 21 Ca 0.33 -0.16 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 2d1p h PHE 21 Cb -0.06 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 2d1p h PHE 21 CO 0.01 0.87 -0.44 1.96 -2.23 0.00 0.00 178.31 178.48 2d1p h GLN 22 N 0.68 0.02 -0.29 1.11 4.20 -0.73 -1.98 115.11 118.12 2d1p h GLN 22 Ca 0.13 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.70 2d1p h GLN 22 Cb 0.52 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2d1p h GLN 22 CO 0.03 0.45 -0.35 0.35 -0.67 0.00 0.00 178.83 178.63 2d1p h PHE 23 N 0.02 0.91 -0.45 2.96 3.57 -0.16 -2.33 116.94 121.45 2d1p h PHE 23 Ca -0.00 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2d1p h PHE 23 Cb 0.78 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2d1p h PHE 23 CO 0.00 1.06 0.29 0.00 -2.23 0.00 0.00 178.31 177.43 2d1p h ALA 24 N 0.69 0.58 -0.74 2.41 0.00 -0.63 -0.72 119.26 120.85 2d1p h ALA 24 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2d1p h ALA 24 Cb 0.94 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2d1p h ALA 24 CO 0.08 0.05 0.37 1.96 0.00 0.00 0.00 179.25 181.71 2d1p h GLN 25 N 0.61 1.06 -0.43 0.00 1.08 -1.36 -1.99 115.11 114.07 2d1p h GLN 25 Ca 0.16 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 2d1p h GLN 25 Cb -0.04 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 2d1p h GLN 25 CO -0.03 0.82 0.01 0.00 -0.95 0.00 0.00 178.83 178.67 2d1p h ALA 26 N 1.18 0.58 -0.47 3.87 0.00 -1.01 -0.67 119.26 122.75 2d1p h ALA 26 Ca 0.26 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2d1p h ALA 26 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2d1p h ALA 26 CO -0.03 0.36 -0.22 1.37 0.00 0.00 0.00 179.25 180.73 2d1p h LEU 27 N 0.60 1.00 -0.68 0.00 8.10 -1.03 -0.95 115.31 122.36 2d1p h LEU 27 Ca 0.12 -0.40 -0.08 0.00 0.11 0.00 0.00 57.88 57.63 2d1p h LEU 27 Cb 0.48 -0.28 -0.03 0.00 -0.44 0.00 0.00 40.66 40.39 2d1p h LEU 27 CO 0.02 1.18 0.11 0.40 -4.11 0.00 0.00 178.44 176.04 2d1p h ILE 28 N 0.83 1.26 0.00 0.15 2.04 -1.31 -1.59 117.51 118.90 2d1p h ILE 28 Ca 0.11 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 2d1p h ILE 28 Cb 0.80 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2d1p h ILE 28 CO 0.07 0.39 -0.23 0.00 0.00 0.00 0.00 178.15 178.38 2d1p h ALA 29 N 1.05 1.32 -0.28 1.87 0.00 -0.92 -2.43 119.26 119.87 2d1p h ALA 29 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d1p h ALA 29 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2d1p h ALA 29 CO 0.01 0.28 0.00 -3.47 0.00 0.00 0.00 179.25 176.08 2d1p n ASP 30 N -3.83 2.70 0.00 0.00 2.03 -0.38 -4.89 116.55 112.18 2d1p n ASP 30 Ca -0.02 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 53.00 2d1p n ASP 30 Cb 0.32 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 2d1p n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d1p n GLY 31 N 0.50 0.82 3.94 0.27 0.00 -0.91 -5.03 105.19 104.77 2d1p n GLY 31 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2d1p n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2d1p s HIS 32 N -3.20 3.12 -0.17 1.61 3.76 -0.67 -4.69 115.29 115.05 2d1p s HIS 32 Ca 0.00 0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 55.26 2d1p s HIS 32 Cb 0.00 -2.72 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 2d1p s HIS 32 CO 0.00 -0.82 -0.00 -2.00 -0.85 0.00 0.00 174.74 171.06 2d1p s GLU 33 N -4.89 3.74 -0.76 1.40 2.12 -0.52 -4.28 118.70 115.51 2d1p s GLU 33 Ca 0.54 -0.47 -0.16 0.00 0.36 0.00 0.00 54.97 55.23 2d1p s GLU 33 Cb -0.10 -3.02 0.17 0.00 0.26 0.00 0.00 34.13 31.43 2d1p s GLU 33 CO 0.42 0.20 0.79 -1.17 -0.54 0.00 0.00 175.26 174.97 2d1p s LEU 34 N 0.49 6.06 0.11 2.70 2.96 -1.26 0.12 118.68 129.86 2d1p s LEU 34 Ca -0.01 -2.18 -0.23 0.00 -0.22 0.00 0.00 54.13 51.48 2d1p s LEU 34 Cb -0.14 -2.27 -0.08 0.00 0.50 0.00 0.00 46.19 44.21 2d1p s LEU 34 CO 0.02 -0.82 1.69 -1.28 -1.32 0.00 0.00 176.35 174.64 2d1p h SER 35 N 8.43 -0.33 -5.10 3.68 0.87 -0.95 -3.43 113.55 116.72 2d1p h SER 35 Ca -0.02 0.05 0.17 0.00 -1.23 0.00 0.00 61.79 60.76 2d1p h SER 35 Cb 1.05 0.14 -0.11 0.00 -0.44 0.00 0.00 62.40 63.05 2d1p h SER 35 CO 0.93 -0.16 0.53 -0.94 -0.53 0.00 0.00 176.83 176.66 2d1p s SER 36 N -5.05 -0.23 -0.13 6.23 1.04 -1.20 -3.48 113.70 110.89 2d1p s SER 36 Ca -0.14 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.07 2d1p s SER 36 Cb 0.08 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.64 2d1p s SER 36 CO 0.67 -0.73 -0.14 -0.69 0.98 0.00 0.00 173.24 173.32 2d1p s VAL 37 N -3.13 1.52 -0.23 5.02 1.01 -0.22 -1.08 120.40 123.30 2d1p s VAL 37 Ca 0.10 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 2d1p s VAL 37 Cb -0.01 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2d1p s VAL 37 CO -0.02 0.45 0.11 0.12 0.00 0.00 0.00 175.10 175.76 2d1p s PHE 38 N 1.27 3.21 -0.27 5.22 5.36 0.16 -1.31 117.98 131.62 2d1p s PHE 38 Ca -0.00 -0.03 -0.10 0.00 -0.96 0.00 0.00 56.93 55.84 2d1p s PHE 38 Cb -0.14 -2.23 -0.04 0.00 -0.34 0.00 0.00 43.02 40.27 2d1p s PHE 38 CO -0.07 -0.08 0.15 -0.06 -1.46 0.00 0.00 175.22 173.70 2d1p s PHE 39 N 1.16 3.17 0.13 10.12 0.08 0.11 -0.65 117.98 132.10 2d1p s PHE 39 Ca 0.06 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.04 2d1p s PHE 39 Cb -0.14 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 2d1p s PHE 39 CO 0.04 -0.23 0.00 -0.47 -0.10 0.00 0.00 175.22 174.47 2d1p s TYR 40 N 1.69 0.98 0.00 0.36 5.04 -0.66 -2.22 117.35 122.54 2d1p s TYR 40 Ca 0.07 -1.07 0.00 0.00 -2.44 0.00 0.00 57.07 53.63 2d1p s TYR 40 Cb -0.16 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 41.58 2d1p s TYR 40 CO 0.08 -0.30 0.00 0.54 -1.34 0.00 0.00 175.55 174.53 2d1p n ARG 41 N -0.13 0.00 0.06 4.97 1.74 -1.26 -0.40 116.66 121.64 2d1p n ARG 41 Ca -0.08 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.06 2d1p n ARG 41 Cb 0.63 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 32.34 2d1p n ARG 41 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2d1p n GLU 42 N 13.79 0.06 0.31 5.56 4.71 -1.19 -2.32 120.64 141.55 2d1p n GLU 42 Ca 0.00 0.50 0.18 0.00 -0.01 0.00 0.00 57.16 57.83 2d1p n GLU 42 Cb 0.00 -1.68 1.01 0.00 -1.01 0.00 0.00 31.44 29.76 2d1p n GLU 42 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2d1p h GLY 43 N 0.58 0.00 2.00 0.62 0.00 -0.57 -2.53 103.07 103.17 2d1p h GLY 43 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2d1p h GLY 43 CO 0.00 0.00 -0.04 -0.39 0.00 0.00 0.00 176.54 176.11 2d1p h VAL 44 N 0.00 0.49 0.00 4.60 -1.51 -1.60 -2.02 116.25 116.22 2d1p h VAL 44 Ca -0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2d1p h VAL 44 Cb 0.02 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 2d1p h VAL 44 CO 0.00 0.04 0.00 1.88 -1.23 0.00 0.00 177.57 178.26 2d1p h TYR 45 N 0.00 0.00 0.00 5.19 0.05 -1.72 -0.78 116.97 119.71 2d1p h TYR 45 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2d1p h TYR 45 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 2d1p h TYR 45 CO 0.00 0.00 0.00 -0.91 -1.05 0.00 0.00 178.16 176.20 2d1p h ASN 46 N 0.00 0.00 -0.62 3.88 2.35 -1.58 -1.53 115.58 118.07 2d1p h ASN 46 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2d1p h ASN 46 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2d1p h ASN 46 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 2d1p n ALA 47 N -1.81 2.41 -2.56 -0.83 0.00 -0.30 -4.59 120.51 112.83 2d1p n ALA 47 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 53.44 51.71 2d1p n ALA 47 Cb 0.14 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 2d1p n ALA 47 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2d1p s ASN 48 N -1.01 6.35 0.50 0.00 3.84 -0.58 -0.86 114.94 123.19 2d1p s ASN 48 Ca 0.43 -0.01 0.18 0.00 0.21 0.00 0.00 52.86 53.67 2d1p s ASN 48 Cb 0.23 -2.55 1.25 0.00 -0.55 0.00 0.00 41.25 39.62 2d1p s ASN 48 CO 0.28 -1.59 2.06 -0.61 -2.79 0.00 0.00 177.10 174.44 2d1p h GLN 49 N 9.81 0.10 0.00 0.43 -0.00 -0.65 -2.28 115.11 122.52 2d1p h GLN 49 Ca -0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.39 2d1p h GLN 49 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.51 2d1p h GLN 49 CO 1.21 0.07 0.00 1.28 0.00 0.00 0.00 178.83 181.39 2d1p n LEU 50 N -4.46 0.00 -4.67 -2.39 4.77 -1.26 -4.84 117.00 104.15 2d1p n LEU 50 Ca 0.04 0.25 -0.49 0.00 -0.03 0.00 0.00 56.01 55.79 2d1p n LEU 50 Cb 0.33 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 2d1p n LEU 50 CO 0.35 -0.06 1.29 0.41 -1.33 0.00 0.00 177.39 178.05 2d1p n THR 51 N -1.25 0.27 -3.70 -5.08 -1.04 -0.86 -4.94 114.28 97.67 2d1p n THR 51 Ca 0.12 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.80 2d1p n THR 51 Cb 0.17 -1.53 -0.12 0.00 -1.82 0.00 0.00 70.33 67.03 2d1p n THR 51 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2d1p s SER 52 N 2.42 3.48 0.76 8.00 0.01 -1.26 -5.05 113.70 122.06 2d1p s SER 52 Ca 0.87 -3.15 -0.11 0.00 1.31 0.00 0.00 55.95 54.87 2d1p s SER 52 Cb -0.77 -1.09 0.05 0.00 0.21 0.00 0.00 66.02 64.42 2d1p s SER 52 CO 0.48 -0.18 1.08 -2.16 0.41 0.00 0.00 173.24 172.87 2d1p s PRO 53 N -0.33 2.35 0.90 12.44 0.04 -1.26 -5.01 135.00 144.13 2d1p s PRO 53 Ca 0.24 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.02 2d1p s PRO 53 Cb -0.11 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.64 2d1p s PRO 53 CO -0.10 -1.49 1.10 0.00 0.04 0.00 0.00 177.00 176.55 2d1p s ALA 54 N -3.06 1.46 0.48 8.56 0.00 -1.26 -4.89 121.76 123.04 2d1p s ALA 54 Ca 0.60 0.26 0.28 0.00 0.00 0.00 0.00 51.96 53.10 2d1p s ALA 54 Cb -0.15 -3.32 1.56 0.00 0.00 0.00 0.00 23.12 21.22 2d1p s ALA 54 CO 0.55 -2.54 2.13 1.03 0.00 0.00 0.00 175.76 176.94 2d1p h SER 55 N -1.69 0.00 -0.63 0.00 0.87 -2.02 -1.86 113.55 108.21 2d1p h SER 55 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2d1p h SER 55 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2d1p h SER 55 CO 0.48 0.08 0.00 -0.90 -0.53 0.00 0.00 176.83 175.96 2d1p n ASP 56 N -3.74 4.79 -4.51 6.23 5.75 -1.26 -4.91 116.55 118.89 2d1p n ASP 56 Ca -0.02 -2.49 -0.31 0.00 -0.01 0.00 0.00 54.79 51.96 2d1p n ASP 56 Cb 0.18 -0.59 -0.12 0.00 -1.03 0.00 0.00 41.12 39.57 2d1p n ASP 56 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2d1p s GLU 57 N -1.94 2.19 0.16 0.11 2.02 -0.70 -5.09 118.70 115.45 2d1p s GLU 57 Ca 0.51 -0.93 -0.32 0.00 0.02 0.00 0.00 54.97 54.25 2d1p s GLU 57 Cb 0.33 -2.28 -0.10 0.00 0.10 0.00 0.00 34.13 32.17 2d1p s GLU 57 CO 0.23 0.55 1.67 0.12 0.02 0.00 0.00 175.26 177.85 2d1p s PHE 58 N -1.00 2.79 -1.16 1.61 5.36 -1.26 -4.70 117.98 119.63 2d1p s PHE 58 Ca 0.16 0.40 -0.14 0.00 -0.96 0.00 0.00 56.93 56.39 2d1p s PHE 58 Cb -0.11 -4.04 0.18 0.00 -0.34 0.00 0.00 43.02 38.71 2d1p s PHE 58 CO 0.07 -3.99 1.35 0.34 -1.46 0.00 0.00 175.22 171.53 2d1p s ASP 59 N 1.55 7.04 0.21 6.13 2.15 -1.26 -4.86 116.67 127.63 2d1p s ASP 59 Ca 0.74 -2.94 -0.10 0.00 0.43 0.00 0.00 52.55 50.68 2d1p s ASP 59 Cb -0.46 -2.38 0.17 0.00 -0.30 0.00 0.00 42.92 39.95 2d1p s ASP 59 CO 0.32 -0.73 1.88 0.25 -0.17 0.00 0.00 175.17 176.72 2d1p h LEU 60 N 9.44 0.85 -0.65 -1.34 5.85 -1.91 -1.43 115.31 126.12 2d1p h LEU 60 Ca 0.28 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.06 2d1p h LEU 60 Cb 0.89 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 2d1p h LEU 60 CO 1.19 0.61 0.31 0.58 -0.34 0.00 0.00 178.44 180.79 2d1p h VAL 61 N 1.00 0.86 0.00 1.05 2.07 -1.89 0.24 116.25 119.58 2d1p h VAL 61 Ca 0.28 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 2d1p h VAL 61 Cb -0.09 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2d1p h VAL 61 CO -0.07 0.10 -0.57 0.03 0.02 0.00 0.00 177.57 177.08 2d1p h ARG 62 N 0.55 0.00 -0.56 1.57 -0.00 -1.85 -2.52 114.38 111.56 2d1p h ARG 62 Ca 0.31 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.80 2d1p h ARG 62 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.25 2d1p h ARG 62 CO -0.25 0.57 0.37 0.00 0.00 0.00 0.00 179.97 180.67 2d1p h ALA 63 N 1.43 0.72 -0.18 0.04 0.00 0.03 0.21 119.26 121.51 2d1p h ALA 63 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2d1p h ALA 63 Cb 1.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2d1p h ALA 63 CO 0.07 0.15 0.09 -1.49 0.00 0.00 0.00 179.25 178.08 2d1p h TRP 64 N 0.76 0.26 -0.49 0.00 -0.00 -0.86 -1.03 115.95 114.59 2d1p h TRP 64 Ca 0.21 -0.01 0.08 0.00 -0.00 0.00 0.00 58.89 59.17 2d1p h TRP 64 Cb -0.09 -0.08 -0.07 0.00 -0.00 0.00 0.00 29.16 28.92 2d1p h TRP 64 CO -0.04 0.27 0.11 0.37 -0.00 0.00 0.00 178.44 179.16 2d1p h GLN 65 N 0.18 0.25 -0.56 0.49 4.15 -0.98 -0.81 115.11 117.82 2d1p h GLN 65 Ca 0.06 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2d1p h GLN 65 Cb 0.10 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 2d1p h GLN 65 CO -0.01 0.16 0.33 0.37 -1.93 0.00 0.00 178.83 177.75 2d1p h GLN 66 N 0.25 0.75 -0.66 1.69 4.15 -0.20 -0.24 115.11 120.85 2d1p h GLN 66 Ca 0.25 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 2d1p h GLN 66 Cb 0.32 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2d1p h GLN 66 CO -0.31 0.54 0.16 1.25 -1.93 0.00 0.00 178.83 178.54 2d1p h LEU 67 N 0.77 0.98 -0.18 -2.39 5.85 0.16 0.12 115.31 120.61 2d1p h LEU 67 Ca 0.20 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2d1p h LEU 67 Cb -0.02 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2d1p h LEU 67 CO -0.04 0.94 -0.07 -1.13 -0.34 0.00 0.00 178.44 177.80 2d1p h ASN 68 N 0.99 0.38 -0.50 1.25 -0.73 -0.46 -1.44 115.58 115.07 2d1p h ASN 68 Ca 0.21 -0.40 -0.03 0.00 1.87 0.00 0.00 56.30 57.95 2d1p h ASN 68 Cb 0.35 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 2d1p h ASN 68 CO 0.00 0.69 0.19 0.00 -0.37 0.00 0.00 177.43 177.95 2d1p h ALA 69 N 0.70 0.64 0.15 1.57 0.00 -0.80 0.24 119.26 121.77 2d1p h ALA 69 Ca 0.04 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.48 2d1p h ALA 69 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2d1p h ALA 69 CO 0.02 0.26 -1.52 0.37 0.00 0.00 0.00 179.25 178.38 2d1p h GLN 70 N 0.66 0.32 -0.14 0.00 4.15 -0.82 -3.39 115.11 115.89 2d1p h GLN 70 Ca 0.16 -0.55 0.00 0.00 0.77 0.00 0.00 58.65 59.03 2d1p h GLN 70 Cb 0.20 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2d1p h GLN 70 CO -0.01 1.22 0.00 0.72 -1.93 0.00 0.00 178.83 178.82 2d1p n HIS 71 N -3.53 0.19 -1.59 3.99 8.25 -0.55 -5.00 115.22 116.99 2d1p n HIS 71 Ca -0.17 -0.45 -0.20 0.00 -0.26 0.00 0.00 57.72 56.65 2d1p n HIS 71 Cb 1.06 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 32.05 2d1p n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d1p n GLY 72 N -0.00 1.85 3.71 -1.41 0.00 0.07 -4.94 105.19 104.47 2d1p n GLY 72 Ca 0.05 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2d1p n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d1p s VAL 73 N -2.74 3.59 -0.02 1.61 1.01 -1.24 -4.98 120.40 117.64 2d1p s VAL 73 Ca 0.00 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 2d1p s VAL 73 Cb 0.00 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2d1p s VAL 73 CO 0.00 0.06 1.12 0.00 0.00 0.00 0.00 175.10 176.28 2d1p s ALA 74 N 1.41 3.38 -0.49 5.51 0.00 -1.23 -4.30 121.76 126.04 2d1p s ALA 74 Ca 0.63 0.62 -0.07 0.00 0.00 0.00 0.00 51.96 53.14 2d1p s ALA 74 Cb -0.34 -3.45 0.13 0.00 0.00 0.00 0.00 23.12 19.47 2d1p s ALA 74 CO 0.29 -0.53 0.34 -0.51 0.00 0.00 0.00 175.76 175.35 2d1p s LEU 75 N 1.61 5.61 -0.23 0.00 1.43 -1.26 -1.06 118.68 124.78 2d1p s LEU 75 Ca 0.55 -2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 51.44 2d1p s LEU 75 Cb -0.24 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 2d1p s LEU 75 CO 0.25 -0.62 0.26 0.20 0.23 0.00 0.00 176.35 176.66 2d1p s ASN 76 N 2.25 6.24 -0.16 2.29 0.02 -0.43 0.17 114.94 125.32 2d1p s ASN 76 Ca 0.08 0.27 -0.02 0.00 -1.02 0.00 0.00 52.86 52.17 2d1p s ASN 76 Cb -0.24 -2.16 -0.01 0.00 0.02 0.00 0.00 41.25 38.86 2d1p s ASN 76 CO -0.02 0.00 -0.09 -0.63 0.02 0.00 0.00 177.10 176.39 2d1p s ILE 77 N 1.19 3.30 -0.16 0.60 1.09 -0.13 0.04 121.20 127.13 2d1p s ILE 77 Ca 0.12 -0.55 -0.29 0.00 -1.10 0.00 0.00 60.65 58.83 2d1p s ILE 77 Cb -0.14 -2.44 -0.05 0.00 -1.06 0.00 0.00 42.46 38.77 2d1p s ILE 77 CO 0.06 0.49 1.87 0.00 -0.10 0.00 0.00 174.94 177.25 2d1p h VAL 79 N 6.29 0.80 -0.38 0.00 -1.51 -1.48 -0.68 116.25 119.28 2d1p h VAL 79 Ca -0.40 -0.16 -0.05 0.00 -1.23 0.00 0.00 66.70 64.87 2d1p h VAL 79 Cb 1.20 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 2d1p h VAL 79 CO 0.98 0.08 0.06 0.00 -1.23 0.00 0.00 177.57 177.46 2d1p h ALA 80 N 1.41 0.51 -0.49 5.19 0.00 -1.90 0.54 119.26 124.52 2d1p h ALA 80 Ca 0.31 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2d1p h ALA 80 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2d1p h ALA 80 CO -0.29 0.22 0.03 0.00 0.00 0.00 0.00 179.25 179.21 2d1p h ALA 81 N 0.91 1.13 -0.38 0.00 0.00 -1.88 -2.34 119.26 116.70 2d1p h ALA 81 Ca 0.12 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2d1p h ALA 81 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2d1p h ALA 81 CO 0.01 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 2d1p h ALA 82 N 1.28 0.53 -0.20 0.00 0.00 -0.85 -2.92 119.26 117.09 2d1p h ALA 82 Ca 0.15 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2d1p h ALA 82 Cb 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2d1p h ALA 82 CO 0.01 0.48 0.02 -0.07 0.00 0.00 0.00 179.25 179.70 2d1p h LEU 83 N 0.60 -0.03 -2.53 0.00 4.07 -0.68 -0.44 115.31 116.28 2d1p h LEU 83 Ca 0.08 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 2d1p h LEU 83 Cb 0.74 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.54 2d1p h LEU 83 CO 0.06 0.01 -0.02 0.03 -1.08 0.00 0.00 178.44 177.44 2d1p h ARG 84 N 0.09 0.00 -0.28 1.13 3.08 -1.40 -2.47 114.38 114.53 2d1p h ARG 84 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2d1p h ARG 84 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2d1p h ARG 84 CO -0.14 0.02 0.00 0.54 -1.07 0.00 0.00 179.97 179.32 2d1p n ARG 85 N -3.37 2.88 -2.87 0.04 1.74 -0.71 -5.01 116.66 109.36 2d1p n ARG 85 Ca -0.02 -2.50 -0.12 0.00 -0.77 0.00 0.00 57.85 54.43 2d1p n ARG 85 Cb 0.12 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.00 2d1p n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d1p n GLY 86 N -0.13 0.10 3.00 -0.13 0.00 -0.58 -5.02 105.19 102.43 2d1p n GLY 86 Ca 0.17 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2d1p n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d1p s VAL 87 N -3.02 1.87 0.06 1.61 1.01 -0.28 -4.92 120.40 116.73 2d1p s VAL 87 Ca 0.24 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.71 2d1p s VAL 87 Cb -0.10 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2d1p s VAL 87 CO 0.29 -0.13 -0.05 0.68 0.00 0.00 0.00 175.10 175.89 2d1p s VAL 88 N 1.22 0.41 0.58 2.92 -7.23 -1.26 -3.83 120.40 113.21 2d1p s VAL 88 Ca -0.05 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 2d1p s VAL 88 Cb -0.19 -1.11 0.07 0.00 0.56 0.00 0.00 36.38 35.71 2d1p s VAL 88 CO -0.06 -0.72 0.79 1.51 -0.31 0.00 0.00 175.10 176.31 2d1p s ASP 89 N -2.36 5.05 0.20 4.85 -4.77 -1.26 -0.91 116.67 117.48 2d1p s ASP 89 Ca -0.00 -0.51 -0.10 0.00 -3.30 0.00 0.00 52.55 48.64 2d1p s ASP 89 Cb -0.01 -0.15 0.25 0.00 -1.09 0.00 0.00 42.92 41.92 2d1p s ASP 89 CO -0.04 -1.32 1.75 -0.08 0.70 0.00 0.00 175.17 176.18 2d1p h GLU 90 N 0.08 0.42 -0.19 2.11 4.81 -1.93 -1.07 114.58 118.81 2d1p h GLU 90 Ca -0.35 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2d1p h GLU 90 Cb 1.28 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2d1p h GLU 90 CO 0.43 0.28 0.11 1.15 -0.73 0.00 0.00 179.01 180.25 2d1p h THR 91 N 0.43 1.08 -0.90 0.32 2.02 -2.00 -1.55 112.91 112.31 2d1p h THR 91 Ca 0.29 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2d1p h THR 91 Cb 0.33 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2d1p h THR 91 CO -0.28 0.08 0.51 -0.33 0.37 0.00 0.00 175.52 175.87 2d1p h GLU 92 N 0.22 1.25 -0.71 6.66 5.08 -1.87 -2.04 114.58 123.17 2d1p h GLU 92 Ca 0.07 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2d1p h GLU 92 Cb 0.03 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 2d1p h GLU 92 CO -0.01 0.90 0.41 0.00 -1.00 0.00 0.00 179.01 179.30 2d1p h ALA 93 N 1.28 1.39 -0.46 3.43 0.00 -0.84 -0.38 119.26 123.68 2d1p h ALA 93 Ca 0.32 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2d1p h ALA 93 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2d1p h ALA 93 CO -0.05 0.52 0.17 0.78 0.00 0.00 0.00 179.25 180.66 2d1p h GLY 94 N 1.02 0.75 1.46 0.00 0.00 -0.60 0.18 103.07 105.88 2d1p h GLY 94 Ca 0.25 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2d1p h GLY 94 CO -0.04 0.40 -0.21 3.21 0.00 0.00 0.00 176.54 179.90 2d1p h ARG 95 N 0.60 0.63 -0.00 4.80 3.08 -0.94 -2.87 114.38 119.68 2d1p h ARG 95 Ca 0.15 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2d1p h ARG 95 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2d1p h ARG 95 CO -0.01 0.79 -0.10 1.28 -1.07 0.00 0.00 179.97 180.86 2d1p n LEU 96 N -4.13 0.37 -0.44 3.04 4.77 -0.20 -4.92 117.00 115.49 2d1p n LEU 96 Ca 0.00 0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2d1p n LEU 96 Cb 0.40 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2d1p n LEU 96 CO 0.43 0.07 -0.06 0.61 -1.33 0.00 0.00 177.39 177.11 2d1p n GLY 97 N 1.30 0.83 3.81 -0.72 0.00 -0.10 -5.02 105.19 105.29 2d1p n GLY 97 Ca 0.14 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 2d1p n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d1p s LEU 98 N -1.32 4.35 0.12 0.99 1.43 0.43 -4.98 118.68 119.70 2d1p s LEU 98 Ca 0.00 1.50 0.23 0.00 -1.03 0.00 0.00 54.13 54.83 2d1p s LEU 98 Cb 0.00 -3.64 0.92 0.00 0.03 0.00 0.00 46.19 43.49 2d1p s LEU 98 CO 0.00 0.02 1.72 0.00 0.23 0.00 0.00 176.35 178.33 2d1p n ALA 99 N 0.73 1.99 -3.43 4.21 0.00 -1.26 -4.50 120.51 118.24 2d1p n ALA 99 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 2d1p n ALA 99 Cb 0.51 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 2d1p n ALA 99 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2d1p s SER 100 N -3.70 0.23 0.24 0.00 1.04 -1.26 -5.13 113.70 105.12 2d1p s SER 100 Ca 0.09 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.38 2d1p s SER 100 Cb 0.13 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.94 2d1p s SER 100 CO 0.45 -1.44 0.19 -0.94 0.98 0.00 0.00 173.24 172.48 2d1p s SER 101 N -3.09 0.56 0.00 7.02 1.04 -1.26 -4.79 113.70 113.17 2d1p s SER 101 Ca 0.21 -1.47 0.09 0.00 0.48 0.00 0.00 55.95 55.26 2d1p s SER 101 Cb -0.03 0.44 0.15 0.00 0.10 0.00 0.00 66.02 66.68 2d1p s SER 101 CO 0.13 -0.92 0.99 -0.46 0.98 0.00 0.00 173.24 173.95 2d1p n ASN 102 N -0.64 -0.01 -4.68 7.02 6.94 -0.09 -4.98 115.26 118.82 2d1p n ASN 102 Ca 0.03 -1.85 -0.42 0.00 -0.02 0.00 0.00 54.58 52.31 2d1p n ASN 102 Cb 0.65 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 38.01 2d1p n ASN 102 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2d1p s LEU 103 N 0.00 4.23 0.16 -4.53 2.96 -0.91 0.08 118.68 120.67 2d1p s LEU 103 Ca 0.12 1.48 -0.31 0.00 -0.22 0.00 0.00 54.13 55.20 2d1p s LEU 103 Cb 0.14 -3.52 -0.09 0.00 0.50 0.00 0.00 46.19 43.22 2d1p s LEU 103 CO -0.06 -0.46 1.38 -1.58 -1.32 0.00 0.00 176.35 174.31 2d1p s GLN 104 N 2.13 4.33 0.21 1.98 2.00 -0.04 -4.74 119.66 125.53 2d1p s GLN 104 Ca 0.47 2.11 -0.32 0.00 -2.00 0.00 0.00 55.36 55.62 2d1p s GLN 104 Cb -0.18 -3.21 -0.13 0.00 0.80 0.00 0.00 33.01 30.30 2d1p s GLN 104 CO 0.16 -0.38 1.60 0.94 -0.50 0.00 0.00 175.29 177.11 2d1p n GLN 105 N 3.29 2.42 0.00 1.67 0.00 -1.26 -2.18 117.38 121.32 2d1p n GLN 105 Ca 0.09 0.87 0.00 0.00 -0.00 0.00 0.00 57.00 57.96 2d1p n GLN 105 Cb 0.42 -2.65 0.00 0.00 0.00 0.00 0.00 30.24 28.01 2d1p n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2d1p n GLY 106 N 3.20 2.46 3.89 1.69 0.00 -1.26 -4.76 105.19 110.41 2d1p n GLY 106 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2d1p n GLY 106 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d1p s PHE 107 N -2.22 3.50 -0.16 1.61 0.08 -0.93 -4.35 117.98 115.52 2d1p s PHE 107 Ca 0.00 0.59 0.01 0.00 0.12 0.00 0.00 56.93 57.65 2d1p s PHE 107 Cb 0.00 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.45 2d1p s PHE 107 CO 0.00 0.46 -0.17 0.99 -0.10 0.00 0.00 175.22 176.40 2d1p s THR 108 N -1.59 1.82 0.36 0.64 2.01 0.13 -4.96 115.64 114.05 2d1p s THR 108 Ca 0.39 -0.80 -0.27 0.00 0.31 0.00 0.00 61.69 61.32 2d1p s THR 108 Cb -0.12 -1.66 -0.09 0.00 0.01 0.00 0.00 72.50 70.63 2d1p s THR 108 CO 0.23 0.50 1.26 -0.76 -0.69 0.00 0.00 174.62 175.16 2d1p s LEU 109 N 1.31 4.34 0.30 4.42 2.01 -1.26 -0.96 118.68 128.84 2d1p s LEU 109 Ca 0.03 2.58 -0.17 0.00 0.01 0.00 0.00 54.13 56.59 2d1p s LEU 109 Cb -0.13 -3.78 0.02 0.00 0.01 0.00 0.00 46.19 42.31 2d1p s LEU 109 CO -0.10 -0.61 0.67 -0.94 1.01 0.00 0.00 176.35 176.38 2d1p s SER 110 N -0.70 -0.09 0.66 2.29 1.04 0.33 -4.81 113.70 112.42 2d1p s SER 110 Ca 0.52 -0.86 -0.00 0.00 0.48 0.00 0.00 55.95 56.09 2d1p s SER 110 Cb -0.37 0.73 0.09 0.00 0.10 0.00 0.00 66.02 66.57 2d1p s SER 110 CO 0.48 -1.39 0.91 -0.83 0.98 0.00 0.00 173.24 173.39 2d1p s GLY 111 N -3.00 1.78 0.32 7.32 0.00 -1.26 -1.12 107.32 111.36 2d1p s GLY 111 Ca 0.16 -1.55 0.25 0.00 0.00 0.00 0.00 44.72 43.58 2d1p s GLY 111 CO 0.09 -1.09 1.75 1.41 0.00 0.00 0.00 173.10 175.26 2d1p h LEU 112 N -0.30 0.00 -2.24 0.66 3.38 -1.99 -2.54 115.31 112.28 2d1p h LEU 112 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2d1p h LEU 112 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2d1p h LEU 112 CO 0.46 0.00 0.01 1.23 0.09 0.00 0.00 178.44 180.23 2d1p h GLY 113 N 1.81 0.00 2.00 0.83 0.00 -2.00 0.42 103.07 106.14 2d1p h GLY 113 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2d1p h GLY 113 CO 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.16 2d1p h ALA 114 N 1.99 0.93 -0.03 3.60 0.00 -1.84 -0.93 119.26 122.97 2d1p h ALA 114 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2d1p h ALA 114 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2d1p h ALA 114 CO -0.00 0.47 -0.26 1.25 0.00 0.00 0.00 179.25 180.71 2d1p h LEU 115 N 0.00 0.29 -0.50 0.00 5.85 -1.10 -2.61 115.31 117.23 2d1p h LEU 115 Ca -0.00 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.02 2d1p h LEU 115 Cb 0.98 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2d1p h LEU 115 CO 0.05 0.94 0.32 0.00 -0.34 0.00 0.00 178.44 179.40 2d1p h ALA 116 N 0.36 0.64 -0.80 1.25 0.00 -1.37 -1.50 119.26 117.83 2d1p h ALA 116 Ca -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2d1p h ALA 116 Cb 0.95 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2d1p h ALA 116 CO 0.05 0.11 0.37 1.49 0.00 0.00 0.00 179.25 181.27 2d1p h GLU 117 N 0.68 1.16 -0.46 0.00 4.57 -1.23 -0.53 114.58 118.76 2d1p h GLU 117 Ca 0.18 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 2d1p h GLU 117 Cb -0.04 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 2d1p h GLU 117 CO -0.04 0.90 -0.16 0.00 -1.18 0.00 0.00 179.01 178.53 2d1p h ALA 118 N 1.26 0.85 -0.27 2.92 0.00 -1.12 -1.49 119.26 121.41 2d1p h ALA 118 Ca 0.27 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2d1p h ALA 118 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2d1p h ALA 118 CO -0.03 0.64 -0.27 0.77 0.00 0.00 0.00 179.25 180.36 2d1p h SER 119 N 0.78 0.54 1.23 0.00 0.02 -0.79 -0.53 113.55 114.80 2d1p h SER 119 Ca 0.12 -0.19 -0.16 0.00 -0.84 0.00 0.00 61.79 60.72 2d1p h SER 119 Cb 0.69 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2d1p h SER 119 CO 0.05 0.80 -0.77 -0.07 -1.14 0.00 0.00 176.83 175.69 2d1p h LEU 120 N 0.46 0.00 0.00 5.07 3.38 -0.93 -3.39 115.31 119.91 2d1p h LEU 120 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2d1p h LEU 120 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2d1p h LEU 120 CO 0.05 0.75 -1.46 0.35 0.09 0.00 0.00 178.44 178.22 2d1p n THR 121 N -3.28 0.00 -2.48 0.22 -2.24 -0.58 -5.02 114.28 100.91 2d1p n THR 121 Ca 0.01 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.22 2d1p n THR 121 Cb 0.84 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 2d1p n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d1p h ASP 123 N 0.62 0.77 -4.79 0.00 3.32 -1.38 -3.46 116.42 111.49 2d1p h ASP 123 Ca -0.46 -0.45 -0.26 0.00 0.02 0.00 0.00 57.03 55.88 2d1p h ASP 123 Cb 1.19 -0.21 -0.21 0.00 0.22 0.00 0.00 39.33 40.32 2d1p h ASP 123 CO 0.62 1.05 -0.73 -0.13 -1.72 0.00 0.00 179.24 178.34 2d1p s ARG 124 N -4.45 0.51 -0.10 3.56 1.81 -0.86 -4.99 118.95 114.43 2d1p s ARG 124 Ca -0.12 -0.77 -0.00 0.00 -1.72 0.00 0.00 55.73 53.12 2d1p s ARG 124 Cb 0.09 -0.23 0.02 0.00 -0.45 0.00 0.00 34.95 34.38 2d1p s ARG 124 CO 0.83 0.03 -0.07 0.08 -0.68 0.00 0.00 175.30 175.49 2d1p s VAL 125 N -1.51 0.91 -0.19 3.52 1.01 -1.26 -1.69 120.40 121.18 2d1p s VAL 125 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2d1p s VAL 125 Cb -0.09 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2d1p s VAL 125 CO -0.00 0.34 -0.17 -0.69 0.00 0.00 0.00 175.10 174.58 2d1p s VAL 126 N 1.56 2.29 -0.18 2.92 1.01 -0.83 -5.00 120.40 122.16 2d1p s VAL 126 Ca 0.01 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 2d1p s VAL 126 Cb -0.13 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2d1p s VAL 126 CO -0.06 0.50 0.40 -1.58 0.00 0.00 0.00 175.10 174.36 2d1p s GLN 127 N 1.31 4.22 0.00 2.72 0.74 -1.26 -1.57 119.66 125.83 2d1p s GLN 127 Ca 0.05 0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.69 2d1p s GLN 127 Cb -0.13 -3.50 0.00 0.00 1.10 0.00 0.00 33.01 30.48 2d1p s GLN 127 CO -0.11 0.05 0.40 1.19 -0.55 0.00 0.00 175.29 176.26