#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd n SER 2 N 0.00 6.93 -3.72 1.61 3.41 -1.26 -4.97 113.62 115.63 2tbd n SER 2 Ca 0.00 -3.79 -0.12 0.00 -0.26 0.00 0.00 58.87 54.70 2tbd n SER 2 Cb 0.00 -0.85 -0.06 0.00 -0.26 0.00 0.00 64.21 63.04 2tbd n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2tbd s LYS 3 N -3.83 1.63 0.48 4.33 1.02 -1.26 -5.13 119.74 116.98 2tbd s LYS 3 Ca 0.58 -1.55 -0.19 0.00 0.02 0.00 0.00 55.97 54.82 2tbd s LYS 3 Cb 0.46 0.41 -0.15 0.00 -0.52 0.00 0.00 37.83 38.04 2tbd s LYS 3 CO -0.13 -0.65 0.00 1.55 -0.92 0.00 0.00 175.35 175.20 2tbd n VAL 4 N -0.44 0.40 -0.71 3.17 3.14 -1.26 -4.80 118.33 117.83 2tbd n VAL 4 Ca 0.00 -0.50 -0.19 0.00 -2.96 0.00 0.00 64.34 60.70 2tbd n VAL 4 Cb 0.63 -0.08 0.13 0.00 -1.06 0.00 0.00 33.84 33.46 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2tbd n GLU 5 N 1.30 1.96 -0.85 1.45 1.02 -1.26 -4.87 120.64 119.40 2tbd n GLU 5 Ca 0.09 -2.29 -0.34 0.00 -0.02 0.00 0.00 57.16 54.61 2tbd n GLU 5 Cb 0.45 -1.90 0.10 0.00 -0.02 0.00 0.00 31.44 30.08 2tbd n GLU 5 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2tbd n ASP 6 N -0.73 -3.13 -4.69 1.62 5.75 -1.26 -4.88 116.55 109.24 2tbd n ASP 6 Ca 0.45 0.29 -0.42 0.00 -0.01 0.00 0.00 54.79 55.10 2tbd n ASP 6 Cb 1.35 -1.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 2tbd n ASP 6 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2tbd s PRO 7 N -3.21 4.40 -0.09 0.11 0.04 -1.26 -4.93 135.00 130.07 2tbd s PRO 7 Ca 0.52 1.47 0.15 0.00 0.04 0.00 0.00 61.00 63.18 2tbd s PRO 7 Cb -0.20 -3.55 0.57 0.00 0.04 0.00 0.00 34.50 31.36 2tbd s PRO 7 CO 0.72 -0.37 1.45 0.36 0.04 0.00 0.00 177.00 179.20 2tbd n LYS 8 N 5.12 3.13 -3.79 4.56 0.00 -1.26 -4.95 118.16 120.96 2tbd n LYS 8 Ca 0.10 -2.26 -0.02 0.00 -0.00 0.00 0.00 58.31 56.12 2tbd n LYS 8 Cb 0.48 -1.75 0.00 0.00 -0.00 0.00 0.00 35.03 33.76 2tbd n LYS 8 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2tbd s ASP 9 N -0.82 -0.08 1.12 -5.58 1.47 -1.26 -4.94 116.67 106.59 2tbd s ASP 9 Ca 0.41 -0.47 -0.12 0.00 1.18 0.00 0.00 52.55 53.54 2tbd s ASP 9 Cb 0.26 0.44 0.26 0.00 -0.34 0.00 0.00 42.92 43.54 2tbd s ASP 9 CO 0.20 -0.84 1.05 -0.36 0.68 0.00 0.00 175.17 175.90 2tbd s PHE 10 N -2.69 1.39 0.20 2.11 0.40 -1.26 -4.95 117.98 113.19 2tbd s PHE 10 Ca 0.17 1.29 -0.30 0.00 -0.60 0.00 0.00 56.93 57.49 2tbd s PHE 10 Cb -0.01 -3.14 -0.08 0.00 0.51 0.00 0.00 43.02 40.30 2tbd s PHE 10 CO 0.03 -3.71 1.07 -1.25 0.70 0.00 0.00 175.22 172.05 2tbd s PRO 11 N -4.49 4.65 0.64 0.24 0.04 -1.26 -4.89 135.00 129.92 2tbd s PRO 11 Ca 0.68 1.68 0.24 0.00 0.04 0.00 0.00 61.00 63.65 2tbd s PRO 11 Cb -0.25 -3.27 1.27 0.00 0.04 0.00 0.00 34.50 32.30 2tbd s PRO 11 CO 0.63 0.18 1.72 1.03 0.04 0.00 0.00 177.00 180.60 2tbd h SER 12 N 4.75 0.00 -0.41 6.66 0.87 -1.98 0.84 113.55 124.29 2tbd h SER 12 Ca -0.45 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.06 2tbd h SER 12 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2tbd h SER 12 CO 0.71 0.00 0.05 -0.08 -0.53 0.00 0.00 176.83 176.97 2tbd h GLU 13 N 0.00 0.68 -0.01 2.24 4.57 -2.03 -2.41 114.58 117.63 2tbd h GLU 13 Ca 0.08 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2tbd h GLU 13 Cb 1.16 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2tbd h GLU 13 CO -0.00 0.74 0.00 1.28 -1.18 0.00 0.00 179.01 179.85 2tbd n LEU 14 N -4.49 0.56 -0.68 1.64 4.77 0.27 -3.51 117.00 115.55 2tbd n LEU 14 Ca -0.01 -0.19 0.03 0.00 -0.03 0.00 0.00 56.01 55.82 2tbd n LEU 14 Cb 0.25 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.45 2tbd n LEU 14 CO 0.40 0.09 0.50 0.18 -1.33 0.00 0.00 177.39 177.23 2tbd n LEU 15 N -0.56 1.85 0.04 2.23 4.77 -0.91 -3.64 117.00 120.79 2tbd n LEU 15 Ca 0.22 -0.93 0.13 0.00 -0.03 0.00 0.00 56.01 55.39 2tbd n LEU 15 Cb 0.20 -0.37 0.31 0.00 -2.33 0.00 0.00 43.42 41.23 2tbd n LEU 15 CO 0.17 0.33 0.58 -0.24 -1.33 0.00 0.00 177.39 176.91 2tbd n SER 16 N 0.17 0.55 -2.69 -1.43 2.88 -1.23 -4.30 113.62 107.56 2tbd n SER 16 Ca 0.08 0.18 -0.07 0.00 -1.33 0.00 0.00 58.87 57.73 2tbd n SER 16 Cb 0.38 -0.11 0.09 0.00 -0.75 0.00 0.00 64.21 63.82 2tbd n SER 16 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2tbd n PHE 17 N -1.88 -1.31 -1.93 0.66 1.16 -1.24 -5.12 117.46 107.81 2tbd n PHE 17 Ca 0.05 -2.13 0.00 0.00 -1.87 0.00 0.00 57.45 53.50 2tbd n PHE 17 Cb 0.39 1.00 0.00 0.00 -1.61 0.00 0.00 39.48 39.26 2tbd n PHE 17 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 2tbd n LEU 18 N -0.57 0.00 0.00 5.98 7.94 -1.26 -4.12 117.00 124.97 2tbd n LEU 18 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2tbd n LEU 18 Cb 0.84 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.79 2tbd n LEU 18 CO 0.01 0.00 -0.44 -0.24 -1.11 0.00 0.00 177.39 175.61 2tbd n SER 19 N 0.00 4.19 -3.52 1.96 2.88 -1.26 -4.57 113.62 113.30 2tbd n SER 19 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 2tbd n SER 19 Cb 0.00 0.35 0.08 0.00 -0.75 0.00 0.00 64.21 63.88 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2tbd n HIS 20 N -1.92 -2.79 -3.64 0.66 8.25 -1.26 -4.97 115.22 109.55 2tbd n HIS 20 Ca 0.00 0.96 -0.03 0.00 -0.26 0.00 0.00 57.72 58.39 2tbd n HIS 20 Cb 0.44 -4.97 -0.07 0.00 1.12 0.00 0.00 29.99 26.51 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2tbd s ALA 21 N -3.30 -2.26 -0.03 -1.41 0.00 -1.26 -5.04 121.76 108.45 2tbd s ALA 21 Ca 0.56 2.04 0.15 0.00 0.00 0.00 0.00 51.96 54.71 2tbd s ALA 21 Cb -0.25 -1.70 -0.23 0.00 0.00 0.00 0.00 23.12 20.95 2tbd s ALA 21 CO 0.69 -0.29 0.30 0.28 0.00 0.00 0.00 175.76 176.74 2tbd n VAL 22 N 3.04 0.10 -1.30 0.00 0.31 -1.26 -4.44 118.33 114.79 2tbd n VAL 22 Ca -0.16 -0.37 -0.30 0.00 -0.01 0.00 0.00 64.34 63.50 2tbd n VAL 22 Cb 0.57 0.08 0.12 0.00 -0.91 0.00 0.00 33.84 33.70 2tbd n VAL 22 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2tbd n PHE 23 N -2.07 3.15 -2.33 3.52 3.72 -1.26 -2.89 117.46 119.30 2tbd n PHE 23 Ca -0.05 -2.54 -0.36 0.00 -0.05 0.00 0.00 57.45 54.46 2tbd n PHE 23 Cb 0.45 -1.23 -0.01 0.00 -0.94 0.00 0.00 39.48 37.74 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2tbd s SER 24 N -1.64 6.06 -1.27 4.37 0.01 -1.26 -4.93 113.70 115.05 2tbd s SER 24 Ca 0.61 2.17 -0.07 0.00 1.31 0.00 0.00 55.95 59.97 2tbd s SER 24 Cb 0.50 -2.59 0.17 0.00 0.21 0.00 0.00 66.02 64.31 2tbd s SER 24 CO 0.04 -0.99 2.07 -3.20 0.41 0.00 0.00 173.24 171.57 2tbd n ASN 25 N -0.87 6.64 -3.58 2.44 5.15 -1.26 -4.84 115.26 118.94 2tbd n ASN 25 Ca 0.09 -3.18 -0.12 0.00 -0.60 0.00 0.00 54.58 50.77 2tbd n ASN 25 Cb 0.50 -1.39 -0.05 0.00 -0.53 0.00 0.00 39.78 38.31 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2tbd s ARG 26 N -0.82 1.07 -0.23 1.20 0.52 -1.26 -5.13 118.95 114.30 2tbd s ARG 26 Ca 0.45 -0.47 -0.22 0.00 -0.52 0.00 0.00 55.73 54.97 2tbd s ARG 26 Cb 0.14 0.48 -0.02 0.00 0.52 0.00 0.00 34.95 36.07 2tbd s ARG 26 CO -0.04 -0.41 0.68 0.95 0.02 0.00 0.00 175.30 176.50 2tbd s THR 27 N -3.19 4.96 -0.16 0.02 -4.23 -1.26 -4.39 115.64 107.38 2tbd s THR 27 Ca -0.01 1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 61.76 2tbd s THR 27 Cb 0.00 -3.99 0.04 0.00 1.34 0.00 0.00 72.50 69.89 2tbd s THR 27 CO -0.08 0.03 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.20 2tbd s LEU 28 N 2.39 1.65 0.00 4.79 1.43 -1.17 -4.92 118.68 122.85 2tbd s LEU 28 Ca 0.29 -0.63 0.24 0.00 -1.03 0.00 0.00 54.13 53.00 2tbd s LEU 28 Cb -0.16 -0.97 0.28 0.00 0.03 0.00 0.00 46.19 45.37 2tbd s LEU 28 CO 0.09 -0.16 1.26 0.00 0.23 0.00 0.00 176.35 177.76 2tbd n ALA 29 N 4.85 3.91 -2.70 4.21 0.00 -1.26 -3.87 120.51 125.64 2tbd n ALA 29 Ca -0.13 -0.44 -0.37 0.00 0.00 0.00 0.00 53.44 52.50 2tbd n ALA 29 Cb 0.48 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 2tbd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tbd s PHE 31 N 0.80 1.48 -0.28 0.00 0.40 -0.92 -2.15 117.98 117.31 2tbd s PHE 31 Ca 0.18 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2tbd s PHE 31 Cb -0.14 -0.81 0.09 0.00 0.51 0.00 0.00 43.02 42.67 2tbd s PHE 31 CO 0.06 0.14 0.06 0.00 0.70 0.00 0.00 175.22 176.18 2tbd s ALA 32 N -1.44 1.57 0.14 5.36 0.00 -0.66 -2.61 121.76 124.12 2tbd s ALA 32 Ca 0.04 -1.48 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 2tbd s ALA 32 Cb -0.09 -1.52 -0.06 0.00 0.00 0.00 0.00 23.12 21.44 2tbd s ALA 32 CO 0.03 -1.50 0.46 0.42 0.00 0.00 0.00 175.76 175.17 2tbd s ILE 33 N 1.59 5.03 -0.29 0.00 1.01 -0.69 -2.08 121.20 125.78 2tbd s ILE 33 Ca 0.05 0.44 -0.03 0.00 0.00 0.00 0.00 60.65 61.12 2tbd s ILE 33 Cb -0.18 -3.65 0.10 0.00 0.01 0.00 0.00 42.46 38.74 2tbd s ILE 33 CO -0.18 0.15 0.11 -0.47 0.00 0.00 0.00 174.94 174.56 2tbd s TYR 34 N -1.55 0.77 0.36 3.97 5.04 -0.60 -0.62 117.35 124.71 2tbd s TYR 34 Ca 0.39 -1.12 -0.05 0.00 -2.44 0.00 0.00 57.07 53.85 2tbd s TYR 34 Cb -0.13 -1.15 0.01 0.00 0.35 0.00 0.00 41.96 41.04 2tbd s TYR 34 CO 0.20 -0.82 0.54 0.95 -1.34 0.00 0.00 175.55 175.08 2tbd s THR 35 N 1.94 0.00 0.77 4.34 -4.23 -0.90 -0.82 115.64 116.74 2tbd s THR 35 Ca 0.09 -1.48 -0.15 0.00 -1.18 0.00 0.00 61.69 58.96 2tbd s THR 35 Cb -0.16 -2.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.97 2tbd s THR 35 CO -0.31 0.00 0.66 0.35 -0.54 0.00 0.00 174.62 174.78 2tbd n THR 36 N -0.57 1.69 -0.03 3.99 -2.24 -1.26 -1.93 114.28 113.94 2tbd n THR 36 Ca -0.01 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 2tbd n THR 36 Cb 0.61 -0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 2tbd n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2tbd h LYS 37 N -0.61 0.21 -0.48 -0.78 2.10 -1.89 -1.73 116.57 113.39 2tbd h LYS 37 Ca -0.46 -0.02 0.14 0.00 -2.00 0.00 0.00 60.65 58.32 2tbd h LYS 37 Cb 1.33 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 2tbd h LYS 37 CO 0.42 0.17 0.49 0.93 -2.00 0.00 0.00 179.45 179.47 2tbd h GLU 38 N 0.19 0.00 0.02 0.07 5.08 -2.00 -1.28 114.58 116.66 2tbd h GLU 38 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2tbd h GLU 38 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2tbd h GLU 38 CO -0.01 0.00 -0.01 0.87 -1.00 0.00 0.00 179.01 178.86 2tbd h LYS 39 N 0.00 -0.03 -0.19 2.33 6.56 -1.65 -3.27 116.57 120.31 2tbd h LYS 39 Ca 0.23 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.88 2tbd h LYS 39 Cb 1.21 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 2tbd h LYS 39 CO -0.00 0.01 0.38 0.00 -2.06 0.00 0.00 179.45 177.78 2tbd h ALA 40 N -0.98 1.71 -0.11 3.86 0.00 -1.14 -0.51 119.26 122.09 2tbd h ALA 40 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2tbd h ALA 40 Cb 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2tbd h ALA 40 CO 0.01 -0.48 0.02 0.00 0.00 0.00 0.00 179.25 178.79 2tbd h ALA 41 N 1.41 0.14 0.15 0.00 0.00 -1.30 -0.17 119.26 119.49 2tbd h ALA 41 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2tbd h ALA 41 Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2tbd h ALA 41 CO -0.00 -0.20 -0.07 -0.07 0.00 0.00 0.00 179.25 178.90 2tbd h LEU 42 N -0.06 -0.18 -2.42 0.00 4.07 -1.17 -2.89 115.31 112.67 2tbd h LEU 42 Ca 0.03 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.64 2tbd h LEU 42 Cb 0.29 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2tbd h LEU 42 CO 0.00 0.33 0.14 -0.07 -1.08 0.00 0.00 178.44 177.76 2tbd h LEU 43 N -0.75 0.00 0.55 1.67 3.38 -1.47 -1.51 115.31 117.17 2tbd h LEU 43 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2tbd h LEU 43 Cb 0.52 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2tbd h LEU 43 CO 0.03 0.00 -0.26 0.22 0.09 0.00 0.00 178.44 178.52 2tbd h TYR 44 N 0.00 -0.68 0.00 1.13 3.20 -0.80 -1.01 116.97 118.81 2tbd h TYR 44 Ca 0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2tbd h TYR 44 Cb 0.28 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 2tbd h TYR 44 CO 0.00 -0.42 -0.06 -0.22 -1.64 0.00 0.00 178.16 175.81 2tbd h LYS 45 N -0.76 0.00 0.00 1.82 3.11 -1.55 -2.08 116.57 117.11 2tbd h LYS 45 Ca -0.08 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2tbd h LYS 45 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 2tbd h LYS 45 CO 0.12 0.06 0.00 1.63 -2.81 0.00 0.00 179.45 178.46 2tbd n LYS 46 N -3.19 0.00 0.17 1.90 4.76 -0.60 -3.28 118.16 117.93 2tbd n LYS 46 Ca 0.00 0.31 0.18 0.00 -2.87 0.00 0.00 58.31 55.93 2tbd n LYS 46 Cb 0.34 -1.09 0.81 0.00 -1.84 0.00 0.00 35.03 33.24 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2tbd h ILE 47 N 0.00 0.42 -1.58 -0.18 2.04 -1.29 -1.81 117.51 115.11 2tbd h ILE 47 Ca 0.00 0.00 0.48 0.00 1.00 0.00 0.00 64.86 66.34 2tbd h ILE 47 Cb 0.00 0.77 -0.10 0.00 -0.74 0.00 0.00 36.82 36.76 2tbd h ILE 47 CO 0.00 0.00 1.09 -0.03 0.00 0.00 0.00 178.15 179.21 2tbd h MET 48 N 0.00 0.04 0.00 2.37 4.05 -1.35 0.66 114.93 120.69 2tbd h MET 48 Ca 0.12 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 2tbd h MET 48 Cb 0.68 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2tbd h MET 48 CO -0.00 0.02 0.00 0.39 0.23 0.00 0.00 176.91 177.55 2tbd n GLU 49 N -4.31 0.06 0.14 0.39 1.02 -0.71 -3.99 120.64 113.25 2tbd n GLU 49 Ca 0.39 -0.33 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 2tbd n GLU 49 Cb 1.66 -0.81 0.09 0.00 -0.02 0.00 0.00 31.44 32.36 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2tbd h LYS 50 N 0.00 0.00 0.00 3.49 3.64 -0.59 -3.38 116.57 119.73 2tbd h LYS 50 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2tbd h LYS 50 Cb 0.11 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 2tbd h LYS 50 CO 0.00 0.00 -0.43 0.66 -2.27 0.00 0.00 179.45 177.41 2tbd n TYR 51 N -2.73 0.00 -4.13 1.91 4.01 -0.90 -4.99 117.16 110.34 2tbd n TYR 51 Ca 0.02 -0.09 -0.28 0.00 -0.16 0.00 0.00 57.90 57.39 2tbd n TYR 51 Cb 0.53 0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.54 2tbd n TYR 51 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2tbd n SER 52 N 0.06 0.07 0.00 7.72 3.41 -1.25 -3.72 113.62 119.92 2tbd n SER 52 Ca -0.01 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 2tbd n SER 52 Cb 0.71 -2.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.25 2tbd n SER 52 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2tbd n VAL 53 N -4.47 0.00 0.00 -3.33 0.24 -1.25 -4.26 118.33 105.26 2tbd n VAL 53 Ca -0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2tbd n VAL 53 Cb 0.68 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 2tbd n VAL 53 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2tbd n THR 54 N -3.46 0.00 -3.40 3.34 -1.04 -1.26 -2.07 114.28 106.39 2tbd n THR 54 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2tbd n THR 54 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2tbd n THR 54 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2tbd s PHE 55 N -0.26 -0.60 -0.15 -1.42 5.36 -1.26 -4.90 117.98 114.76 2tbd s PHE 55 Ca 0.00 1.04 -0.02 0.00 -0.96 0.00 0.00 56.93 57.00 2tbd s PHE 55 Cb 0.00 0.36 0.05 0.00 -0.34 0.00 0.00 43.02 43.08 2tbd s PHE 55 CO 0.00 -0.30 0.01 -1.50 -1.46 0.00 0.00 175.22 171.97 2tbd s ILE 56 N 2.30 0.59 -0.11 3.12 2.07 -1.26 -2.43 121.20 125.48 2tbd s ILE 56 Ca -0.03 -0.35 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 2tbd s ILE 56 Cb -0.05 -0.92 0.02 0.00 0.13 0.00 0.00 42.46 41.64 2tbd s ILE 56 CO -0.17 0.01 -0.11 -0.55 -1.91 0.00 0.00 174.94 172.21 2tbd s SER 57 N 1.85 2.28 -0.09 4.50 0.15 -0.67 -2.40 113.70 119.33 2tbd s SER 57 Ca 0.01 -0.37 -0.22 0.00 0.70 0.00 0.00 55.95 56.07 2tbd s SER 57 Cb -0.15 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2tbd s SER 57 CO -0.07 -0.05 0.64 -0.13 1.20 0.00 0.00 173.24 174.83 2tbd s ARG 58 N 1.33 4.40 0.46 5.44 0.52 0.00 -1.63 118.95 129.47 2tbd s ARG 58 Ca -0.01 0.76 0.04 0.00 -0.52 0.00 0.00 55.73 56.00 2tbd s ARG 58 Cb -0.14 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 31.83 2tbd s ARG 58 CO -0.05 0.07 0.01 -1.01 0.02 0.00 0.00 175.30 174.34 2tbd s HIS 59 N 0.81 2.21 -0.15 -0.53 3.76 -0.84 -1.08 115.29 119.48 2tbd s HIS 59 Ca 0.34 -0.81 -0.02 0.00 -0.15 0.00 0.00 55.06 54.43 2tbd s HIS 59 Cb -0.17 -1.70 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2tbd s HIS 59 CO 0.16 0.35 -0.09 -0.80 -0.85 0.00 0.00 174.74 173.50 2tbd s ASN 60 N -3.79 4.29 -0.02 1.40 0.01 -0.76 -1.48 114.94 114.59 2tbd s ASN 60 Ca 0.21 -0.27 -0.03 0.00 -0.71 0.00 0.00 52.86 52.06 2tbd s ASN 60 Cb 0.06 -1.68 -0.01 0.00 0.41 0.00 0.00 41.25 40.03 2tbd s ASN 60 CO 0.11 0.15 -0.06 -0.24 -1.51 0.00 0.00 177.10 175.55 2tbd n SER 61 N 3.64 0.46 0.05 -1.22 2.88 -1.07 -1.74 113.62 116.63 2tbd n SER 61 Ca -0.18 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2tbd n SER 61 Cb 0.52 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2tbd n TYR 62 N -2.95 -2.42 0.01 0.66 4.01 -1.26 -4.81 117.16 110.40 2tbd n TYR 62 Ca -0.03 0.33 0.01 0.00 -0.16 0.00 0.00 57.90 58.05 2tbd n TYR 62 Cb 0.09 1.15 -0.01 0.00 -0.31 0.00 0.00 39.34 40.27 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2tbd n ASN 63 N -2.73 3.71 -3.05 7.72 3.02 -1.26 -5.08 115.26 117.60 2tbd n ASN 63 Ca 0.00 -0.11 -0.17 0.00 -0.03 0.00 0.00 54.58 54.28 2tbd n ASN 63 Cb 0.00 1.06 -0.06 0.00 -0.61 0.00 0.00 39.78 40.17 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2tbd n HIS 64 N -1.45 -1.05 -4.11 3.10 8.25 -1.26 -4.87 115.22 113.82 2tbd n HIS 64 Ca -0.00 -2.51 -0.26 0.00 -0.26 0.00 0.00 57.72 54.69 2tbd n HIS 64 Cb 0.04 0.39 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 2tbd n HIS 64 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2tbd s ASN 65 N -3.17 5.38 -0.35 0.41 0.02 -0.81 -2.60 114.94 113.81 2tbd s ASN 65 Ca 0.34 -0.20 -0.05 0.00 -1.02 0.00 0.00 52.86 51.93 2tbd s ASN 65 Cb 0.01 -1.35 0.05 0.00 0.02 0.00 0.00 41.25 39.98 2tbd s ASN 65 CO 0.24 0.06 0.12 -0.63 0.02 0.00 0.00 177.10 176.91 2tbd s ILE 66 N -1.80 3.63 -0.70 0.60 1.09 -0.55 -2.12 121.20 121.35 2tbd s ILE 66 Ca 0.31 -1.32 -0.26 0.00 -1.10 0.00 0.00 60.65 58.28 2tbd s ILE 66 Cb -0.10 -3.13 0.04 0.00 -1.06 0.00 0.00 42.46 38.22 2tbd s ILE 66 CO 0.23 -0.27 1.17 -0.22 -0.10 0.00 0.00 174.94 175.75 2tbd s LEU 67 N 1.35 3.56 0.29 2.97 2.96 0.21 -1.98 118.68 128.03 2tbd s LEU 67 Ca -0.01 -0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 53.05 2tbd s LEU 67 Cb -0.20 -2.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.84 2tbd s LEU 67 CO 0.01 -1.69 0.95 0.12 -1.32 0.00 0.00 176.35 174.42 2tbd s PHE 68 N 5.16 3.78 -0.29 5.38 5.36 -0.65 -1.70 117.98 135.03 2tbd s PHE 68 Ca 0.31 1.83 -0.15 0.00 -0.96 0.00 0.00 56.93 57.96 2tbd s PHE 68 Cb -0.11 -2.97 0.14 0.00 -0.34 0.00 0.00 43.02 39.74 2tbd s PHE 68 CO 0.14 0.24 0.90 -0.59 -1.46 0.00 0.00 175.22 174.45 2tbd s PHE 69 N -1.43 -0.77 0.65 10.12 -0.71 -1.07 -1.67 117.98 123.10 2tbd s PHE 69 Ca 0.47 1.44 0.06 0.00 -1.04 0.00 0.00 56.93 57.86 2tbd s PHE 69 Cb -0.22 0.46 0.11 0.00 -1.21 0.00 0.00 43.02 42.16 2tbd s PHE 69 CO 0.28 -0.38 0.89 -0.51 -1.34 0.00 0.00 175.22 174.16 2tbd s LEU 70 N 1.91 3.01 -0.05 -1.99 1.43 -0.88 -2.16 118.68 119.95 2tbd s LEU 70 Ca -0.07 -0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 52.12 2tbd s LEU 70 Cb -0.06 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.57 2tbd s LEU 70 CO -0.17 -1.61 0.42 0.42 0.23 0.00 0.00 176.35 175.64 2tbd s THR 71 N -2.88 0.03 0.00 5.49 -4.23 0.07 -3.81 115.64 110.32 2tbd s THR 71 Ca 0.64 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 2tbd s THR 71 Cb -0.05 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.09 2tbd s THR 71 CO 0.42 -0.15 0.02 -0.81 -0.54 0.00 0.00 174.62 173.56 2tbd n PRO 72 N 1.52 0.00 -1.54 3.99 -0.04 -1.24 -4.53 135.00 133.16 2tbd n PRO 72 Ca -0.19 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.10 2tbd n PRO 72 Cb 0.56 -0.31 -0.12 0.00 -0.04 0.00 0.00 33.50 33.60 2tbd n PRO 72 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2tbd n HIS 73 N -0.27 0.81 -1.36 0.54 1.44 -1.26 -4.81 115.22 110.32 2tbd n HIS 73 Ca 0.00 -0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.25 2tbd n HIS 73 Cb 0.00 -1.98 -0.02 0.00 0.12 0.00 0.00 29.99 28.11 2tbd n HIS 73 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2tbd n ARG 74 N 7.81 0.00 -3.93 -1.40 1.74 -1.26 -4.99 116.66 114.63 2tbd n ARG 74 Ca 0.53 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.51 2tbd n ARG 74 Cb 0.34 -1.00 -0.13 0.00 -1.02 0.00 0.00 32.46 30.66 2tbd n ARG 74 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2tbd s HIS 75 N -1.27 0.14 -0.00 -1.55 -3.43 -1.25 -4.95 115.29 102.97 2tbd s HIS 75 Ca 0.62 -0.26 -0.36 0.00 -0.80 0.00 0.00 55.06 54.27 2tbd s HIS 75 Cb -0.81 -0.10 -0.14 0.00 -1.43 0.00 0.00 32.58 30.10 2tbd s HIS 75 CO 0.59 -0.09 1.62 0.54 -2.00 0.00 0.00 174.74 175.40 2tbd n ARG 76 N 2.37 1.70 0.14 -0.38 1.74 -1.26 -3.04 116.66 117.94 2tbd n ARG 76 Ca -0.18 0.62 0.10 0.00 -0.77 0.00 0.00 57.85 57.62 2tbd n ARG 76 Cb 0.58 -2.36 0.53 0.00 -1.02 0.00 0.00 32.46 30.18 2tbd n ARG 76 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2tbd n VAL 77 N 3.82 1.09 0.08 1.55 0.31 -1.25 -0.13 118.33 123.80 2tbd n VAL 77 Ca 0.20 0.65 -0.12 0.00 -0.01 0.00 0.00 64.34 65.06 2tbd n VAL 77 Cb 0.23 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 31.47 2tbd n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2tbd h SER 78 N 0.00 0.42 0.19 4.52 0.87 -1.81 -2.20 113.55 115.54 2tbd h SER 78 Ca 0.00 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.19 2tbd h SER 78 Cb 0.05 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2tbd h SER 78 CO 0.00 1.19 -0.09 0.00 -0.53 0.00 0.00 176.83 177.40 2tbd h ALA 79 N 0.78 -0.26 -0.00 6.23 0.00 -0.82 -2.45 119.26 122.74 2tbd h ALA 79 Ca -0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2tbd h ALA 79 Cb 1.65 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 2tbd h ALA 79 CO 0.16 -0.55 -0.14 0.82 0.00 0.00 0.00 179.25 179.54 2tbd h ILE 80 N -0.44 1.10 -0.80 0.00 1.08 -1.57 -0.61 117.51 116.27 2tbd h ILE 80 Ca -0.03 -0.48 0.19 0.00 -0.39 0.00 0.00 64.86 64.15 2tbd h ILE 80 Cb 0.34 1.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 2tbd h ILE 80 CO 0.04 0.14 0.54 -1.13 -0.69 0.00 0.00 178.15 177.05 2tbd h ASN 81 N 0.00 0.29 -0.74 1.72 -0.00 -0.90 0.45 115.58 116.41 2tbd h ASN 81 Ca -0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 56.30 56.29 2tbd h ASN 81 Cb 0.25 -0.03 -0.03 0.00 -0.00 0.00 0.00 38.32 38.50 2tbd h ASN 81 CO 0.02 0.13 0.34 -1.13 -0.00 0.00 0.00 177.43 176.79 2tbd h ASN 82 N 0.30 0.98 0.41 1.15 -0.73 -0.99 0.52 115.58 117.22 2tbd h ASN 82 Ca 0.40 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.41 2tbd h ASN 82 Cb 1.12 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.46 2tbd h ASN 82 CO -0.11 0.85 -0.20 0.22 -0.37 0.00 0.00 177.43 177.82 2tbd h TYR 83 N 1.05 -0.52 0.00 0.67 3.20 -0.21 0.78 116.97 121.94 2tbd h TYR 83 Ca 0.25 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2tbd h TYR 83 Cb 0.14 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2tbd h TYR 83 CO 0.01 -0.32 0.03 0.00 -1.64 0.00 0.00 178.16 176.24 2tbd n ALA 84 N -2.44 1.00 0.01 1.82 0.00 -0.62 -0.83 120.51 119.45 2tbd n ALA 84 Ca -0.07 0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 2tbd n ALA 84 Cb 0.22 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 2tbd n ALA 84 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2tbd n GLN 85 N -2.22 0.62 0.00 0.00 -0.06 0.18 -3.61 117.38 112.30 2tbd n GLN 85 Ca -0.01 0.25 0.10 0.00 -2.00 0.00 0.00 57.00 55.34 2tbd n GLN 85 Cb 0.06 -1.81 0.54 0.00 -4.06 0.00 0.00 30.24 24.97 2tbd n GLN 85 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2tbd n LYS 86 N -2.95 0.39 -1.72 3.69 0.00 0.24 -3.00 118.16 114.83 2tbd n LYS 86 Ca -0.12 0.07 -0.33 0.00 0.00 0.00 0.00 58.31 57.93 2tbd n LYS 86 Cb 0.91 -1.50 0.05 0.00 0.00 0.00 0.00 35.03 34.49 2tbd n LYS 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2tbd n LEU 87 N -1.20 6.74 -0.04 3.14 4.77 -1.21 -4.44 117.00 124.76 2tbd n LEU 87 Ca 0.11 -4.59 0.04 0.00 -0.03 0.00 0.00 56.01 51.54 2tbd n LEU 87 Cb 0.13 -0.80 0.05 0.00 -2.33 0.00 0.00 43.42 40.48 2tbd n LEU 87 CO 0.14 1.75 0.51 0.00 -1.33 0.00 0.00 177.39 178.46 2tbd n THR 89 N -0.82 0.12 0.00 0.00 -2.24 -1.26 -3.94 114.28 106.13 2tbd n THR 89 Ca 0.06 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2tbd n THR 89 Cb 0.42 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2tbd n THR 89 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2tbd n PHE 90 N -0.28 0.00 -4.15 4.78 -1.74 -1.26 -5.11 117.46 109.69 2tbd n PHE 90 Ca 0.07 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.85 2tbd n PHE 90 Cb 0.11 0.07 -0.09 0.00 1.52 0.00 0.00 39.48 41.08 2tbd n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2tbd s SER 91 N -3.94 0.15 1.23 5.98 0.15 -1.25 -5.15 113.70 110.88 2tbd s SER 91 Ca 0.00 -1.27 -0.14 0.00 0.70 0.00 0.00 55.95 55.24 2tbd s SER 91 Cb 0.00 0.39 0.31 0.00 -1.71 0.00 0.00 66.02 65.01 2tbd s SER 91 CO 0.00 -0.85 1.00 0.72 1.20 0.00 0.00 173.24 175.31 2tbd s PHE 92 N -4.11 0.99 -0.27 3.44 -0.71 -1.26 -4.46 117.98 111.59 2tbd s PHE 92 Ca 0.33 1.08 -0.22 0.00 -1.04 0.00 0.00 56.93 57.08 2tbd s PHE 92 Cb 0.06 -3.04 0.08 0.00 -1.21 0.00 0.00 43.02 38.91 2tbd s PHE 92 CO 0.09 -4.20 0.73 -1.17 -1.34 0.00 0.00 175.22 169.32 2tbd s LEU 93 N -7.43 -0.80 -0.44 -1.99 0.20 -1.26 -4.38 118.68 102.58 2tbd s LEU 93 Ca 0.69 1.43 0.08 0.00 0.69 0.00 0.00 54.13 57.02 2tbd s LEU 93 Cb -0.24 2.40 0.26 0.00 -0.43 0.00 0.00 46.19 48.18 2tbd s LEU 93 CO 0.65 -0.24 0.59 -0.38 -0.29 0.00 0.00 176.35 176.68 2tbd n ILE 94 N 3.27 0.00 -2.87 6.68 5.41 0.00 -5.00 119.36 126.86 2tbd n ILE 94 Ca -0.16 -4.33 -0.40 0.00 1.00 0.00 0.00 62.75 58.86 2tbd n ILE 94 Cb 0.57 -1.79 -0.06 0.00 -0.71 0.00 0.00 39.64 37.65 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2tbd n LYS 96 N 1.93 0.09 -4.10 0.00 4.01 -0.88 -4.94 118.16 114.26 2tbd n LYS 96 Ca -0.03 -0.34 -0.28 0.00 -0.51 0.00 0.00 58.31 57.16 2tbd n LYS 96 Cb 0.48 0.33 -0.03 0.00 -0.51 0.00 0.00 35.03 35.30 2tbd n LYS 96 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2tbd n GLY 97 N -0.07 3.20 3.32 0.72 0.00 -1.26 -1.66 105.19 109.44 2tbd n GLY 97 Ca 0.00 -2.33 -0.14 0.00 0.00 0.00 0.00 46.02 43.55 2tbd n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2tbd s VAL 98 N -2.63 0.03 -0.50 1.61 1.01 -0.91 -4.20 120.40 114.80 2tbd s VAL 98 Ca 0.14 -0.26 0.20 0.00 0.00 0.00 0.00 61.98 62.06 2tbd s VAL 98 Cb -0.01 -0.68 -0.26 0.00 0.00 0.00 0.00 36.38 35.42 2tbd s VAL 98 CO 0.09 -0.14 0.66 0.59 0.00 0.00 0.00 175.10 176.29 2tbd n ASN 99 N 1.62 0.65 -3.75 3.32 3.02 -1.26 -4.53 115.26 114.32 2tbd n ASN 99 Ca -0.19 -0.51 -0.30 0.00 -0.03 0.00 0.00 54.58 53.55 2tbd n ASN 99 Cb 0.56 1.44 -0.14 0.00 -0.61 0.00 0.00 39.78 41.04 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2tbd s LYS 100 N -3.13 1.01 -0.04 3.52 3.01 -1.26 -5.00 119.74 117.85 2tbd s LYS 100 Ca 0.00 -1.51 -0.08 0.00 -1.01 0.00 0.00 55.97 53.37 2tbd s LYS 100 Cb 0.14 -2.25 -0.05 0.00 -1.01 0.00 0.00 37.83 34.67 2tbd s LYS 100 CO 0.83 -1.05 0.41 1.49 0.51 0.00 0.00 175.35 177.54 2tbd h GLU 101 N 7.52 -0.29 -1.37 1.68 4.57 -1.92 -2.50 114.58 122.26 2tbd h GLU 101 Ca -0.08 0.02 0.40 0.00 -1.18 0.00 0.00 59.36 58.53 2tbd h GLU 101 Cb 0.98 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 29.56 2tbd h GLU 101 CO 0.48 -0.19 0.95 -0.92 -1.18 0.00 0.00 179.01 178.15 2tbd h TYR 102 N -0.86 0.22 0.00 0.92 5.03 -1.94 -1.60 116.97 118.74 2tbd h TYR 102 Ca -0.03 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2tbd h TYR 102 Cb 0.23 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.45 2tbd h TYR 102 CO 0.01 -0.03 0.00 -0.11 -1.32 0.00 0.00 178.16 176.71 2tbd n LEU 103 N -4.31 0.69 -0.33 2.82 -0.00 -1.22 -1.89 117.00 112.76 2tbd n LEU 103 Ca 0.32 0.46 0.12 0.00 -0.00 0.00 0.00 56.01 56.91 2tbd n LEU 103 Cb 1.40 -0.35 0.24 0.00 -0.00 0.00 0.00 43.42 44.71 2tbd n LEU 103 CO 0.35 -0.35 0.72 0.80 -0.00 0.00 0.00 177.39 178.90 2tbd n MET 104 N -1.56 -0.08 -0.06 1.96 1.56 -0.94 0.89 117.12 118.89 2tbd n MET 104 Ca 0.00 1.42 -0.11 0.00 -0.27 0.00 0.00 57.70 58.75 2tbd n MET 104 Cb 0.00 -2.23 -0.04 0.00 2.15 0.00 0.00 33.22 33.10 2tbd n MET 104 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2tbd h TYR 105 N 0.00 0.32 0.31 1.12 3.20 -1.43 -0.25 116.97 120.24 2tbd h TYR 105 Ca 0.54 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.38 2tbd h TYR 105 Cb 1.06 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2tbd h TYR 105 CO -0.54 0.35 -0.37 1.03 -1.64 0.00 0.00 178.16 176.99 2tbd h SER 106 N 0.20 -1.05 0.00 -2.11 0.87 0.12 0.19 113.55 111.78 2tbd h SER 106 Ca 0.07 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2tbd h SER 106 Cb 0.16 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2tbd h SER 106 CO -0.01 -0.47 0.11 0.00 -0.53 0.00 0.00 176.83 175.94 2tbd h ALA 107 N -1.07 1.09 0.08 6.23 0.00 -1.19 0.55 119.26 124.94 2tbd h ALA 107 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 2tbd h ALA 107 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2tbd h ALA 107 CO -0.08 -0.09 -1.11 -0.07 0.00 0.00 0.00 179.25 177.89 2tbd h LEU 108 N 0.00 0.47 -0.03 0.00 3.38 0.12 -3.22 115.31 116.02 2tbd h LEU 108 Ca 0.00 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2tbd h LEU 108 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2tbd h LEU 108 CO 0.00 1.29 -0.24 0.71 0.09 0.00 0.00 178.44 180.29 2tbd h THR 109 N 0.14 0.42 -3.35 0.22 1.35 0.69 -3.32 112.91 109.06 2tbd h THR 109 Ca -0.11 -1.58 -0.56 0.00 -0.55 0.00 0.00 66.41 63.60 2tbd h THR 109 Cb 1.80 2.19 -0.06 0.00 -1.73 0.00 0.00 68.15 70.35 2tbd h THR 109 CO 0.19 0.24 0.02 -0.13 -0.25 0.00 0.00 175.52 175.59 2tbd s ARG 110 N -3.10 4.41 0.92 4.72 0.52 -0.93 -4.75 118.95 120.74 2tbd s ARG 110 Ca 0.05 0.76 -0.16 0.00 -0.52 0.00 0.00 55.73 55.86 2tbd s ARG 110 Cb 0.06 -3.44 -0.10 0.00 0.52 0.00 0.00 34.95 32.00 2tbd s ARG 110 CO 0.70 0.11 -0.39 -0.40 0.02 0.00 0.00 175.30 175.35 2tbd n ASP 111 N 3.66 -4.64 -0.07 0.23 5.75 -1.26 -2.15 116.55 118.08 2tbd n ASP 111 Ca -0.03 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 2tbd n ASP 111 Cb 0.51 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2tbd n PRO 112 N 1.26 0.97 -2.88 0.11 -0.04 -1.26 -5.03 135.00 128.14 2tbd n PRO 112 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 2tbd n PRO 112 Cb 0.54 -1.07 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 2tbd n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2tbd s PHE 113 N -1.86 3.11 0.69 0.54 0.08 -0.91 -4.84 117.98 114.79 2tbd s PHE 113 Ca 0.00 0.70 -0.03 0.00 0.12 0.00 0.00 56.93 57.73 2tbd s PHE 113 Cb 0.00 -3.48 0.10 0.00 -0.57 0.00 0.00 43.02 39.06 2tbd s PHE 113 CO 0.00 -0.75 0.97 0.45 -0.10 0.00 0.00 175.22 175.79 2tbd s SER 114 N 1.82 4.59 0.12 1.36 0.15 -0.71 -3.82 113.70 117.20 2tbd s SER 114 Ca 0.35 -0.07 0.09 0.00 0.70 0.00 0.00 55.95 57.03 2tbd s SER 114 Cb -0.13 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 2tbd s SER 114 CO 0.17 -1.69 -0.20 -0.69 1.20 0.00 0.00 173.24 172.03 2tbd s VAL 115 N -3.12 2.71 0.01 4.45 1.01 -1.26 -1.82 120.40 122.37 2tbd s VAL 115 Ca 0.63 -1.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2tbd s VAL 115 Cb -0.08 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2tbd s VAL 115 CO 0.43 0.08 -0.05 -0.38 0.00 0.00 0.00 175.10 175.19 2tbd n ILE 116 N 0.78 0.70 -3.66 2.22 5.41 -0.24 -4.75 119.36 119.83 2tbd n ILE 116 Ca -0.16 0.24 -0.09 0.00 1.00 0.00 0.00 62.75 63.74 2tbd n ILE 116 Cb 0.53 -1.50 -0.02 0.00 -0.71 0.00 0.00 39.64 37.94 2tbd n ILE 116 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2tbd s GLU 117 N -1.67 1.53 0.26 0.38 -6.30 -1.01 -4.98 118.70 106.90 2tbd s GLU 117 Ca -0.04 -0.74 -0.02 0.00 -2.50 0.00 0.00 54.97 51.67 2tbd s GLU 117 Cb 0.01 0.59 0.01 0.00 0.00 0.00 0.00 34.13 34.73 2tbd s GLU 117 CO 0.07 -0.69 0.37 -0.85 0.02 0.00 0.00 175.26 174.17 2tbd n GLU 118 N -0.42 0.53 0.00 4.30 0.28 -1.26 -0.82 120.64 123.25 2tbd n GLU 118 Ca -0.10 -2.06 0.03 0.00 -0.16 0.00 0.00 57.16 54.87 2tbd n GLU 118 Cb 0.62 1.99 0.02 0.00 1.43 0.00 0.00 31.44 35.50 2tbd n GLU 118 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2tbd n SER 119 N -1.75 1.39 -4.74 -1.84 2.88 -1.01 -4.94 113.62 103.61 2tbd n SER 119 Ca 0.00 -1.20 -0.31 0.00 -1.33 0.00 0.00 58.87 56.04 2tbd n SER 119 Cb 0.43 0.05 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2tbd s LEU 120 N -0.54 3.67 -0.01 2.46 2.01 -1.26 -4.95 118.68 120.06 2tbd s LEU 120 Ca 0.06 -0.05 -0.01 0.00 0.01 0.00 0.00 54.13 54.14 2tbd s LEU 120 Cb 0.04 -2.31 -0.06 0.00 0.01 0.00 0.00 46.19 43.87 2tbd s LEU 120 CO 0.07 0.20 2.38 -0.81 1.01 0.00 0.00 176.35 179.20 2tbd n PRO 121 N 0.68 1.25 0.00 1.29 -0.04 -1.26 -3.97 135.00 132.95 2tbd n PRO 121 Ca -0.10 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 2tbd n PRO 121 Cb 0.52 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 2tbd n PRO 121 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2tbd n GLY 122 N 1.70 0.82 0.00 0.55 0.00 -1.26 -5.13 105.19 101.88 2tbd n GLY 122 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2tbd n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tbd n GLY 123 N 0.00 0.08 3.83 -0.02 0.00 -1.25 -5.04 105.19 102.78 2tbd n GLY 123 Ca 0.00 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 2tbd n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tbd s LEU 124 N 0.00 3.95 0.00 0.99 1.43 -1.26 -4.86 118.68 118.93 2tbd s LEU 124 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2tbd s LEU 124 Cb 0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 2tbd s LEU 124 CO 0.00 0.12 0.00 1.17 0.23 0.00 0.00 176.35 177.87 2tbd n LYS 125 N 0.01 0.00 -1.09 1.70 3.00 -1.26 -4.97 118.16 115.55 2tbd n LYS 125 Ca -0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.02 2tbd n LYS 125 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.58 2tbd n LYS 125 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2tbd n GLU 126 N 0.00 2.06 0.00 1.64 0.28 -1.26 -4.60 120.64 118.76 2tbd n GLU 126 Ca 0.00 -1.99 0.00 0.00 -0.16 0.00 0.00 57.16 55.01 2tbd n GLU 126 Cb 0.00 -1.82 0.00 0.00 1.43 0.00 0.00 31.44 31.05 2tbd n GLU 126 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2tbd n HIS 127 N 0.27 0.00 -2.95 -1.84 8.25 -1.26 -4.99 115.22 112.70 2tbd n HIS 127 Ca 0.39 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.79 2tbd n HIS 127 Cb 0.58 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.65 2tbd n HIS 127 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2tbd s ASP 128 N -1.31 -1.10 0.19 0.41 2.15 -1.26 -5.02 116.67 110.72 2tbd s ASP 128 Ca 0.00 -1.61 0.00 0.00 0.43 0.00 0.00 52.55 51.37 2tbd s ASP 128 Cb 0.00 1.66 0.00 0.00 -0.30 0.00 0.00 42.92 44.28 2tbd s ASP 128 CO 0.00 -0.10 0.00 0.49 -0.17 0.00 0.00 175.17 175.39 2tbd n PHE 129 N 3.36 -1.70 -4.46 -5.34 3.72 -1.26 -4.94 117.46 106.83 2tbd n PHE 129 Ca 0.17 0.31 -0.32 0.00 -0.05 0.00 0.00 57.45 57.56 2tbd n PHE 129 Cb 0.55 0.61 -0.10 0.00 -0.94 0.00 0.00 39.48 39.59 2tbd n PHE 129 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2tbd s ASN 130 N -4.56 4.58 -0.08 4.37 -0.87 -1.26 -4.97 114.94 112.15 2tbd s ASN 130 Ca 0.00 -0.16 -0.30 0.00 -1.57 0.00 0.00 52.86 50.83 2tbd s ASN 130 Cb 0.00 -1.05 -0.02 0.00 -0.02 0.00 0.00 41.25 40.16 2tbd s ASN 130 CO 0.00 0.28 1.09 -2.16 -2.57 0.00 0.00 177.10 173.74 2tbd s PRO 131 N -1.43 4.39 -0.61 -0.60 0.04 -1.26 -4.17 135.00 131.36 2tbd s PRO 131 Ca 0.17 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 2tbd s PRO 131 Cb -0.11 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.89 2tbd s PRO 131 CO 0.08 -0.37 0.65 0.39 0.04 0.00 0.00 177.00 177.79 2tbd n GLU 132 N 5.07 -1.78 -0.28 4.56 4.71 -1.26 -4.86 120.64 126.80 2tbd n GLU 132 Ca 0.10 1.69 0.05 0.00 -0.01 0.00 0.00 57.16 58.99 2tbd n GLU 132 Cb 0.48 -5.34 0.18 0.00 -1.01 0.00 0.00 31.44 25.74 2tbd n GLU 132 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2tbd n SER 133 N -1.18 2.49 -0.74 1.62 7.64 -1.26 -5.25 113.62 116.94 2tbd n SER 133 Ca 0.02 -2.17 0.13 0.00 1.01 0.00 0.00 58.87 57.87 2tbd n SER 133 Cb 0.51 -0.37 0.29 0.00 -1.01 0.00 0.00 64.21 63.63 2tbd n SER 133 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49