#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 2.14 -1.26 1.61 7.64 -1.26 -5.05 113.62 117.45 2tbd n SER 2 Ca 0.00 -2.68 -0.00 0.00 1.01 0.00 0.00 58.87 57.20 2tbd n SER 2 Cb 0.00 0.52 -0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2tbd n SER 2 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2tbd n LYS 3 N -0.84 -0.97 0.00 1.43 4.81 -1.26 -4.92 118.16 116.42 2tbd n LYS 3 Ca -0.10 1.11 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 2tbd n LYS 3 Cb 0.48 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.23 2tbd n LYS 3 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2tbd n VAL 4 N 0.34 0.00 -3.67 3.15 3.14 -1.26 -4.57 118.33 115.46 2tbd n VAL 4 Ca -0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.08 2tbd n VAL 4 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2tbd s GLU 5 N 0.00 1.09 0.48 1.45 2.12 -1.26 -5.04 118.70 117.54 2tbd s GLU 5 Ca 0.00 -1.78 -0.21 0.00 0.36 0.00 0.00 54.97 53.35 2tbd s GLU 5 Cb 0.00 -2.11 -0.08 0.00 0.26 0.00 0.00 34.13 32.20 2tbd s GLU 5 CO 0.00 -1.15 1.07 -0.51 -0.54 0.00 0.00 175.26 174.13 2tbd s ASP 6 N 0.63 6.26 0.06 -1.70 1.01 -1.26 -4.99 116.67 116.67 2tbd s ASP 6 Ca 0.17 2.02 -0.30 0.00 0.71 0.00 0.00 52.55 55.14 2tbd s ASP 6 Cb -0.23 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.08 2tbd s ASP 6 CO -0.02 -0.84 1.04 -2.16 0.21 0.00 0.00 175.17 173.40 2tbd s PRO 7 N -3.12 4.56 0.00 8.23 0.04 -1.26 -4.93 135.00 138.53 2tbd s PRO 7 Ca 0.67 1.54 0.14 0.00 0.04 0.00 0.00 61.00 63.40 2tbd s PRO 7 Cb -0.19 -3.40 0.68 0.00 0.04 0.00 0.00 34.50 31.63 2tbd s PRO 7 CO 0.23 -0.03 1.46 1.63 0.04 0.00 0.00 177.00 180.33 2tbd n LYS 8 N 3.51 1.32 0.00 4.56 4.01 -1.26 -4.92 118.16 125.38 2tbd n LYS 8 Ca 0.06 -0.48 0.00 0.00 -0.51 0.00 0.00 58.31 57.37 2tbd n LYS 8 Cb 0.49 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2tbd n ASP 9 N -0.24 0.00 -4.52 4.39 5.68 -1.26 -5.06 116.55 115.55 2tbd n ASP 9 Ca 0.11 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 54.11 2tbd n ASP 9 Cb 0.16 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.35 2tbd n ASP 9 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2tbd n PHE 10 N -0.05 -0.57 -2.23 2.11 3.01 -1.26 -4.97 117.46 113.50 2tbd n PHE 10 Ca 0.00 0.09 -0.33 0.00 1.01 0.00 0.00 57.45 58.22 2tbd n PHE 10 Cb 0.00 -1.80 -0.01 0.00 -0.01 0.00 0.00 39.48 37.66 2tbd n PHE 10 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2tbd s PRO 11 N -4.33 3.61 0.53 -1.08 0.04 -1.26 -4.94 135.00 127.57 2tbd s PRO 11 Ca 0.66 1.11 0.27 0.00 0.04 0.00 0.00 61.00 63.09 2tbd s PRO 11 Cb -0.23 -2.08 1.48 0.00 0.04 0.00 0.00 34.50 33.71 2tbd s PRO 11 CO 0.63 -0.56 2.09 0.66 0.04 0.00 0.00 177.00 179.86 2tbd h SER 12 N 0.72 0.00 0.15 6.66 4.64 -1.99 -1.50 113.55 122.22 2tbd h SER 12 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2tbd h SER 12 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2tbd h SER 12 CO 0.59 0.11 0.00 1.21 -0.87 0.00 0.00 176.83 177.87 2tbd n GLU 13 N -3.68 0.38 0.00 4.77 2.13 -1.26 -2.39 120.64 120.59 2tbd n GLU 13 Ca -0.02 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2tbd n GLU 13 Cb 0.22 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.43 2tbd n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2tbd n LEU 14 N -1.14 0.57 -0.20 4.31 7.94 -0.58 -4.64 117.00 123.25 2tbd n LEU 14 Ca 0.10 -0.65 0.08 0.00 -1.11 0.00 0.00 56.01 54.43 2tbd n LEU 14 Cb 0.09 0.00 0.37 0.00 0.53 0.00 0.00 43.42 44.41 2tbd n LEU 14 CO 0.11 0.14 0.75 0.18 -1.11 0.00 0.00 177.39 177.46 2tbd n LEU 15 N -0.16 0.60 0.13 -1.96 4.77 -1.00 -3.57 117.00 115.81 2tbd n LEU 15 Ca 0.00 -0.26 0.12 0.00 -0.03 0.00 0.00 56.01 55.84 2tbd n LEU 15 Cb 0.05 -0.05 0.48 0.00 -2.33 0.00 0.00 43.42 41.57 2tbd n LEU 15 CO 0.00 0.13 0.86 -1.20 -1.33 0.00 0.00 177.39 175.85 2tbd n SER 16 N -0.33 0.70 -2.99 -1.43 7.64 -1.26 -4.21 113.62 111.74 2tbd n SER 16 Ca 0.12 0.65 -0.10 0.00 1.01 0.00 0.00 58.87 60.54 2tbd n SER 16 Cb 0.14 -0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 2tbd n SER 16 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2tbd s PHE 17 N -3.28 -0.86 0.31 1.43 -0.12 -1.23 -5.08 117.98 109.15 2tbd s PHE 17 Ca 0.05 -0.97 -0.01 0.00 -0.05 0.00 0.00 56.93 55.95 2tbd s PHE 17 Cb 0.10 -0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.44 2tbd s PHE 17 CO 0.43 -1.14 0.39 -0.51 -0.05 0.00 0.00 175.22 174.34 2tbd s LEU 18 N 0.78 1.13 -0.08 -1.99 1.43 -1.26 -4.13 118.68 114.56 2tbd s LEU 18 Ca 0.29 -1.48 0.20 0.00 -1.03 0.00 0.00 54.13 52.10 2tbd s LEU 18 Cb -0.00 1.15 -0.27 0.00 0.03 0.00 0.00 46.19 47.10 2tbd s LEU 18 CO -0.09 -1.17 0.37 -0.24 0.23 0.00 0.00 176.35 175.45 2tbd n SER 19 N -1.20 0.14 -3.22 2.29 2.88 -1.25 -4.63 113.62 108.64 2tbd n SER 19 Ca 0.02 0.06 -0.20 0.00 -1.33 0.00 0.00 58.87 57.42 2tbd n SER 19 Cb 0.62 1.29 -0.01 0.00 -0.75 0.00 0.00 64.21 65.36 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 -2.56 -1.71 -3.92 0.66 -0.00 -1.26 -4.91 115.22 101.51 2tbd n HIS 20 Ca -0.17 0.37 -0.10 0.00 -0.00 0.00 0.00 57.72 57.81 2tbd n HIS 20 Cb 0.85 -2.63 -0.12 0.00 -0.00 0.00 0.00 29.99 28.09 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd s ALA 21 N -2.80 -0.03 -0.15 -1.41 0.00 -1.26 -5.06 121.76 111.05 2tbd s ALA 21 Ca 0.33 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 2tbd s ALA 21 Cb -0.18 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 2tbd s ALA 21 CO 0.40 -0.11 -0.17 0.28 0.00 0.00 0.00 175.76 176.16 2tbd n VAL 22 N 2.12 0.84 -1.92 0.00 0.31 -1.26 -4.64 118.33 113.78 2tbd n VAL 22 Ca -0.19 -0.25 -0.37 0.00 -0.01 0.00 0.00 64.34 63.51 2tbd n VAL 22 Cb 0.57 -1.44 0.01 0.00 -0.91 0.00 0.00 33.84 32.07 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 -3.39 2.59 -0.86 3.52 3.72 -1.26 -3.02 117.46 118.75 2tbd n PHE 23 Ca -0.29 -2.29 -0.29 0.00 -0.05 0.00 0.00 57.45 54.54 2tbd n PHE 23 Cb 0.74 -1.28 0.25 0.00 -0.94 0.00 0.00 39.48 38.25 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2tbd n SER 24 N 0.01 -2.47 0.00 4.37 3.41 -1.26 -5.01 113.62 112.66 2tbd n SER 24 Ca 0.52 -1.08 -0.03 0.00 -0.26 0.00 0.00 58.87 58.03 2tbd n SER 24 Cb 0.31 -0.96 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 2tbd n SER 24 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2tbd n ASN 25 N -4.98 0.59 -4.45 4.04 3.02 -1.26 -4.83 115.26 107.39 2tbd n ASN 25 Ca 0.14 0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.41 2tbd n ASN 25 Cb 0.56 -0.20 0.05 0.00 -0.61 0.00 0.00 39.78 39.59 2tbd n ASN 25 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2tbd n ARG 26 N -3.32 0.37 -3.31 3.52 0.63 -1.26 -4.92 116.66 108.38 2tbd n ARG 26 Ca -0.05 0.16 -0.38 0.00 -0.92 0.00 0.00 57.85 56.66 2tbd n ARG 26 Cb 0.37 -1.74 -0.06 0.00 0.45 0.00 0.00 32.46 31.47 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2tbd s THR 27 N -1.84 4.82 0.12 5.15 -4.23 -1.26 -4.66 115.64 113.75 2tbd s THR 27 Ca 0.66 1.15 0.09 0.00 -1.18 0.00 0.00 61.69 62.40 2tbd s THR 27 Cb -0.39 -3.87 -0.04 0.00 1.34 0.00 0.00 72.50 69.55 2tbd s THR 27 CO 0.57 0.54 -0.21 -0.76 -0.54 0.00 0.00 174.62 174.22 2tbd s LEU 28 N -0.95 2.34 -0.02 4.79 1.02 -0.68 -4.86 118.68 120.33 2tbd s LEU 28 Ca 0.28 -0.75 0.03 0.00 0.02 0.00 0.00 54.13 53.71 2tbd s LEU 28 Cb -0.19 -0.90 0.04 0.00 0.02 0.00 0.00 46.19 45.16 2tbd s LEU 28 CO 0.18 0.04 0.94 0.00 0.02 0.00 0.00 176.35 177.53 2tbd n ALA 29 N 0.82 1.88 -3.62 4.21 0.00 -1.26 -1.56 120.51 120.98 2tbd n ALA 29 Ca -0.17 -1.15 -0.15 0.00 0.00 0.00 0.00 53.44 51.97 2tbd n ALA 29 Cb 0.55 -0.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.77 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 0.90 0.20 -0.13 0.00 0.40 -1.08 -2.16 117.98 116.11 2tbd s PHE 31 Ca -0.08 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 55.75 2tbd s PHE 31 Cb -0.11 -0.15 -0.02 0.00 0.51 0.00 0.00 43.02 43.26 2tbd s PHE 31 CO -0.03 -0.35 -0.11 0.00 0.70 0.00 0.00 175.22 175.43 2tbd s ALA 32 N -2.50 2.70 -0.06 5.36 0.00 -0.02 -2.60 121.76 124.63 2tbd s ALA 32 Ca -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 2tbd s ALA 32 Cb -0.02 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2tbd s ALA 32 CO -0.04 0.24 0.12 0.42 0.00 0.00 0.00 175.76 176.50 2tbd s ILE 33 N 0.35 5.16 -0.52 0.00 -1.09 -0.45 -2.00 121.20 122.65 2tbd s ILE 33 Ca -0.10 -0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.27 2tbd s ILE 33 Cb -0.16 -3.31 0.14 0.00 -1.58 0.00 0.00 42.46 37.56 2tbd s ILE 33 CO 0.05 0.48 0.31 -0.47 -1.23 0.00 0.00 174.94 174.08 2tbd s TYR 34 N -1.13 2.64 0.08 3.97 5.04 -0.77 -0.56 117.35 126.61 2tbd s TYR 34 Ca 0.20 -2.85 0.03 0.00 -2.44 0.00 0.00 57.07 52.00 2tbd s TYR 34 Cb -0.12 -2.29 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 2tbd s TYR 34 CO 0.10 -0.72 -0.09 0.95 -1.34 0.00 0.00 175.55 174.45 2tbd s THR 35 N -0.26 0.75 1.03 4.34 -4.23 -0.89 -1.84 115.64 114.55 2tbd s THR 35 Ca 0.20 -1.50 -0.22 0.00 -1.18 0.00 0.00 61.69 58.99 2tbd s THR 35 Cb -0.19 -1.17 -0.09 0.00 1.34 0.00 0.00 72.50 72.40 2tbd s THR 35 CO -0.05 -0.56 -0.83 1.07 -0.54 0.00 0.00 174.62 173.72 2tbd n THR 36 N 0.76 0.00 -0.16 3.99 5.66 -1.26 -2.08 114.28 121.19 2tbd n THR 36 Ca -0.18 -0.19 -0.06 0.00 -3.05 0.00 0.00 64.05 60.57 2tbd n THR 36 Cb 0.57 -0.22 0.03 0.00 -1.55 0.00 0.00 70.33 69.16 2tbd n THR 36 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2tbd h LYS 37 N -1.34 0.56 -0.84 1.09 2.10 -1.86 -2.38 116.57 113.90 2tbd h LYS 37 Ca -0.44 -0.03 0.08 0.00 -2.00 0.00 0.00 60.65 58.26 2tbd h LYS 37 Cb 1.36 -0.13 -0.07 0.00 -0.90 0.00 0.00 32.23 32.50 2tbd h LYS 37 CO 0.27 0.37 0.50 1.49 -2.00 0.00 0.00 179.45 180.08 2tbd h GLU 38 N 0.57 0.84 0.26 0.07 4.57 -1.99 -0.99 114.58 117.91 2tbd h GLU 38 Ca 0.19 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2tbd h GLU 38 Cb 0.01 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 2tbd h GLU 38 CO -0.08 0.55 -0.13 -0.22 -1.18 0.00 0.00 179.01 177.96 2tbd h LYS 39 N 0.86 -0.34 -1.39 1.92 1.63 -1.72 -2.43 116.57 115.11 2tbd h LYS 39 Ca 0.39 0.02 0.40 0.00 -0.85 0.00 0.00 60.65 60.62 2tbd h LYS 39 Cb 0.29 0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.93 2tbd h LYS 39 CO -0.22 -0.22 0.98 0.00 -3.45 0.00 0.00 179.45 176.54 2tbd h ALA 40 N -1.79 3.19 0.16 5.00 0.00 -1.39 0.24 119.26 124.68 2tbd h ALA 40 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2tbd h ALA 40 Cb 0.27 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2tbd h ALA 40 CO 0.06 -1.63 -0.08 0.00 0.00 0.00 0.00 179.25 177.60 2tbd h ALA 41 N 1.35 -0.22 0.07 0.00 0.00 -0.83 0.83 119.26 120.46 2tbd h ALA 41 Ca 0.69 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 2tbd h ALA 41 Cb 2.61 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.48 2tbd h ALA 41 CO -0.08 -0.56 -0.03 -0.07 0.00 0.00 0.00 179.25 178.52 2tbd h LEU 42 N -0.35 -0.07 -2.28 0.00 4.07 -0.09 -2.16 115.31 114.42 2tbd h LEU 42 Ca -0.02 -0.17 0.04 0.00 0.08 0.00 0.00 57.88 57.81 2tbd h LEU 42 Cb 0.28 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 2tbd h LEU 42 CO 0.04 0.13 0.17 -0.07 -1.08 0.00 0.00 178.44 177.63 2tbd h LEU 43 N -0.28 0.00 0.00 1.67 3.38 -1.23 -1.62 115.31 117.23 2tbd h LEU 43 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2tbd h LEU 43 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2tbd h LEU 43 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2tbd n TYR 44 N -3.74 0.00 0.22 1.13 9.36 0.28 0.73 117.16 125.14 2tbd n TYR 44 Ca 0.01 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.34 2tbd n TYR 44 Cb 0.28 -0.43 0.54 0.00 -0.63 0.00 0.00 39.34 39.11 2tbd n TYR 44 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2tbd n LYS 45 N -1.96 0.15 0.00 2.98 4.81 -1.12 -2.09 118.16 120.93 2tbd n LYS 45 Ca 0.00 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 2tbd n LYS 45 Cb 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.13 2tbd n LYS 45 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2tbd n LYS 46 N -2.23 0.00 -0.65 1.64 5.02 -0.63 -4.23 118.16 117.08 2tbd n LYS 46 Ca -0.00 0.00 0.49 0.00 -2.02 0.00 0.00 58.31 56.77 2tbd n LYS 46 Cb 0.09 -0.20 0.75 0.00 -0.02 0.00 0.00 35.03 35.65 2tbd n LYS 46 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2tbd n ILE 47 N -0.57 -0.00 -0.03 -0.18 2.08 0.22 -1.60 119.36 119.29 2tbd n ILE 47 Ca 0.00 1.36 -0.01 0.00 0.56 0.00 0.00 62.75 64.66 2tbd n ILE 47 Cb 0.00 -2.27 -0.01 0.00 -0.75 0.00 0.00 39.64 36.61 2tbd n ILE 47 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 2tbd h MET 48 N 0.00 -0.02 -0.31 0.38 4.05 -1.49 -0.64 114.93 116.90 2tbd h MET 48 Ca 0.86 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.28 2tbd h MET 48 Cb 3.45 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 34.26 2tbd h MET 48 CO -0.01 -0.02 0.00 -1.91 0.23 0.00 0.00 176.91 175.20 2tbd n GLU 49 N -3.12 1.85 0.03 0.39 0.00 -0.62 -2.63 120.64 116.54 2tbd n GLU 49 Ca -0.00 -1.31 -0.22 0.00 0.00 0.00 0.00 57.16 55.63 2tbd n GLU 49 Cb 0.03 -1.34 -0.14 0.00 0.00 0.00 0.00 31.44 29.99 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2tbd h LYS 50 N 2.32 0.28 0.00 5.31 1.63 -0.73 -3.39 116.57 121.99 2tbd h LYS 50 Ca 0.00 -0.48 -0.08 0.00 -0.85 0.00 0.00 60.65 59.24 2tbd h LYS 50 Cb 0.52 0.18 -0.17 0.00 -0.60 0.00 0.00 32.23 32.16 2tbd h LYS 50 CO 0.00 1.23 -0.73 0.66 -3.45 0.00 0.00 179.45 177.16 2tbd n TYR 51 N -3.91 0.00 -4.18 1.91 4.02 -0.77 -4.96 117.16 109.27 2tbd n TYR 51 Ca -0.23 -1.02 -0.29 0.00 -0.01 0.00 0.00 57.90 56.35 2tbd n TYR 51 Cb 0.92 -0.20 -0.07 0.00 -0.02 0.00 0.00 39.34 39.97 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2tbd n SER 52 N -0.38 0.42 0.00 7.72 7.64 -1.13 -3.61 113.62 124.27 2tbd n SER 52 Ca 0.13 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.83 2tbd n SER 52 Cb 0.90 -2.13 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 2tbd n SER 52 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2tbd n VAL 53 N -4.52 0.00 -0.85 0.44 0.24 -1.08 -4.22 118.33 108.34 2tbd n VAL 53 Ca -0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2tbd n VAL 53 Cb 0.69 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 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 -3.39 0.00 0.00 3.34 -1.04 -1.26 -1.32 114.28 110.60 2tbd n THR 54 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2tbd n THR 54 Cb 0.00 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 2tbd n THR 54 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2tbd n PHE 55 N -2.00 0.00 -3.72 -1.42 7.35 -1.26 -4.88 117.46 111.52 2tbd n PHE 55 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 2tbd n PHE 55 Cb 0.00 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.69 2tbd n PHE 55 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 2tbd s ILE 56 N -0.24 -0.09 -0.09 -2.13 2.07 -1.26 -2.38 121.20 117.09 2tbd s ILE 56 Ca 0.00 0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.43 2tbd s ILE 56 Cb 0.00 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.27 2tbd s ILE 56 CO 0.00 0.08 -0.09 -0.94 -1.91 0.00 0.00 174.94 172.07 2tbd s SER 57 N 1.42 1.95 -0.40 4.50 1.04 -0.54 -1.57 113.70 120.09 2tbd s SER 57 Ca -0.07 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.85 2tbd s SER 57 Cb -0.11 -0.81 0.01 0.00 0.10 0.00 0.00 66.02 65.21 2tbd s SER 57 CO -0.08 -0.05 0.69 -0.13 0.98 0.00 0.00 173.24 174.65 2tbd s ARG 58 N 1.24 3.52 0.45 4.02 0.52 -0.67 -1.58 118.95 126.45 2tbd s ARG 58 Ca -0.04 -0.06 0.07 0.00 -0.52 0.00 0.00 55.73 55.18 2tbd s ARG 58 Cb -0.14 -3.88 -0.01 0.00 0.52 0.00 0.00 34.95 31.45 2tbd s ARG 58 CO -0.03 -0.92 0.37 -1.01 0.02 0.00 0.00 175.30 173.74 2tbd s HIS 59 N 2.93 2.39 -0.01 -0.53 3.76 -1.06 -0.49 115.29 122.28 2tbd s HIS 59 Ca 0.26 -0.60 0.07 0.00 -0.15 0.00 0.00 55.06 54.65 2tbd s HIS 59 Cb -0.14 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 2tbd s HIS 59 CO 0.18 -0.20 -0.23 -0.80 -0.85 0.00 0.00 174.74 172.85 2tbd s ASN 60 N -4.15 3.37 0.00 1.40 0.01 -1.00 -1.88 114.94 112.69 2tbd s ASN 60 Ca 0.44 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 2tbd s ASN 60 Cb -0.02 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.16 2tbd s ASN 60 CO 0.26 0.31 0.00 -1.54 -1.51 0.00 0.00 177.10 174.62 2tbd n SER 61 N 2.25 0.00 -0.02 -1.22 3.41 -1.01 -1.90 113.62 115.14 2tbd n SER 61 Ca -0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.41 2tbd n SER 61 Cb 0.51 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2tbd n TYR 62 N 0.00 0.00 0.00 7.33 4.01 -1.26 -4.81 117.16 122.43 2tbd n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2tbd n TYR 62 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 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 -3.01 2.25 -3.32 7.72 4.13 -1.26 -5.11 115.26 116.66 2tbd n ASN 63 Ca -0.06 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.02 2tbd n ASN 63 Cb 0.55 0.29 -0.04 0.00 -1.54 0.00 0.00 39.78 39.03 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2tbd n HIS 64 N -1.03 0.41 -4.35 3.10 8.25 -1.26 -4.75 115.22 115.58 2tbd n HIS 64 Ca 0.00 -1.61 -0.30 0.00 -0.26 0.00 0.00 57.72 55.56 2tbd n HIS 64 Cb 0.16 -0.11 -0.11 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.66 4.00 -0.46 0.41 -0.87 -0.89 -2.40 114.94 112.07 2tbd s ASN 65 Ca 0.07 -0.49 -0.14 0.00 -1.57 0.00 0.00 52.86 50.72 2tbd s ASN 65 Cb 0.00 -0.63 0.07 0.00 -0.02 0.00 0.00 41.25 40.67 2tbd s ASN 65 CO 0.05 0.19 0.36 -0.63 -2.57 0.00 0.00 177.10 174.50 2tbd s ILE 66 N -1.12 5.06 -0.74 0.60 1.09 -0.79 -2.09 121.20 123.21 2tbd s ILE 66 Ca 0.18 -1.09 -0.26 0.00 -1.10 0.00 0.00 60.65 58.38 2tbd s ILE 66 Cb -0.11 -4.02 0.04 0.00 -1.06 0.00 0.00 42.46 37.32 2tbd s ILE 66 CO 0.10 -0.54 1.24 -0.22 -0.10 0.00 0.00 174.94 175.42 2tbd s LEU 67 N 1.61 3.37 0.13 2.97 2.96 0.28 -2.58 118.68 127.42 2tbd s LEU 67 Ca 0.04 -0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 53.06 2tbd s LEU 67 Cb -0.24 -2.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.85 2tbd s LEU 67 CO 0.06 -1.76 0.99 0.12 -1.32 0.00 0.00 176.35 174.44 2tbd s PHE 68 N 5.43 3.77 -0.18 5.38 5.36 -0.62 -1.34 117.98 135.79 2tbd s PHE 68 Ca 0.34 1.76 -0.10 0.00 -0.96 0.00 0.00 56.93 57.96 2tbd s PHE 68 Cb -0.09 -3.10 0.06 0.00 -0.34 0.00 0.00 43.02 39.55 2tbd s PHE 68 CO 0.13 0.03 0.43 -0.59 -1.46 0.00 0.00 175.22 173.76 2tbd s PHE 69 N -0.08 -0.62 0.75 10.12 -0.71 -1.07 -1.47 117.98 124.90 2tbd s PHE 69 Ca 0.47 1.33 -0.01 0.00 -1.04 0.00 0.00 56.93 57.68 2tbd s PHE 69 Cb -0.25 0.28 0.15 0.00 -1.21 0.00 0.00 43.02 41.99 2tbd s PHE 69 CO 0.31 -0.35 1.03 -1.17 -1.34 0.00 0.00 175.22 173.70 2tbd s LEU 70 N 1.35 2.93 -0.24 -1.99 2.96 -0.44 -2.62 118.68 120.63 2tbd s LEU 70 Ca -0.09 -0.44 -0.26 0.00 -0.22 0.00 0.00 54.13 53.12 2tbd s LEU 70 Cb -0.08 -1.80 0.08 0.00 0.50 0.00 0.00 46.19 44.88 2tbd s LEU 70 CO -0.12 -2.00 0.76 0.42 -1.32 0.00 0.00 176.35 174.08 2tbd s THR 71 N -3.21 0.00 0.00 3.68 -4.23 0.70 -3.67 115.64 108.91 2tbd s THR 71 Ca 0.68 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 2tbd s THR 71 Cb -0.04 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.80 2tbd s THR 71 CO 0.45 0.00 0.09 -0.81 -0.54 0.00 0.00 174.62 173.81 2tbd n PRO 72 N 2.34 0.00 -0.64 3.99 -0.04 -1.24 -4.58 135.00 134.83 2tbd n PRO 72 Ca -0.14 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.21 2tbd n PRO 72 Cb 0.55 -0.67 0.12 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.80 -1.91 -4.07 0.54 1.44 -1.25 -4.49 115.22 104.69 2tbd n HIS 73 Ca 0.00 0.19 -0.33 0.00 -2.01 0.00 0.00 57.72 55.57 2tbd n HIS 73 Cb 0.00 -1.41 -0.07 0.00 0.12 0.00 0.00 29.99 28.63 2tbd n HIS 73 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2tbd s ARG 74 N -3.09 3.15 -0.14 -1.40 0.52 -1.26 -4.64 118.95 112.08 2tbd s ARG 74 Ca 0.35 -0.43 -0.12 0.00 -0.52 0.00 0.00 55.73 55.00 2tbd s ARG 74 Cb -0.04 -2.92 0.04 0.00 0.52 0.00 0.00 34.95 32.55 2tbd s ARG 74 CO 0.39 0.66 0.37 -3.38 0.02 0.00 0.00 175.30 173.37 2tbd s HIS 75 N -1.20 -0.42 0.42 -0.53 -3.43 -0.60 -4.93 115.29 104.60 2tbd s HIS 75 Ca 0.23 1.01 -0.22 0.00 -0.80 0.00 0.00 55.06 55.28 2tbd s HIS 75 Cb -0.12 0.15 -0.10 0.00 -1.43 0.00 0.00 32.58 31.08 2tbd s HIS 75 CO 0.14 -0.21 1.00 1.03 -2.00 0.00 0.00 174.74 174.70 2tbd s ARG 76 N 0.32 4.16 0.64 -0.38 0.52 -1.26 -1.69 118.95 121.26 2tbd s ARG 76 Ca -0.01 1.32 0.27 0.00 -0.52 0.00 0.00 55.73 56.79 2tbd s ARG 76 Cb -0.03 -2.36 1.46 0.00 0.52 0.00 0.00 34.95 34.53 2tbd s ARG 76 CO -0.01 -0.11 1.81 0.28 0.02 0.00 0.00 175.30 177.30 2tbd h VAL 77 N 2.02 0.00 -0.17 3.52 2.07 -1.83 0.27 116.25 122.13 2tbd h VAL 77 Ca -0.49 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 2tbd h VAL 77 Cb 1.20 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2tbd h VAL 77 CO 0.61 0.00 -0.35 0.28 0.02 0.00 0.00 177.57 178.13 2tbd h SER 78 N 0.00 0.61 0.08 0.57 0.02 -1.86 0.85 113.55 113.82 2tbd h SER 78 Ca 0.00 -0.56 -0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2tbd h SER 78 Cb 0.74 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2tbd h SER 78 CO 0.00 1.05 -0.04 0.00 -1.14 0.00 0.00 176.83 176.70 2tbd h ALA 79 N 0.57 -0.10 0.00 3.77 0.00 -0.82 -0.98 119.26 121.70 2tbd h ALA 79 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2tbd h ALA 79 Cb 0.95 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2tbd h ALA 79 CO 0.08 -0.44 -0.14 0.82 0.00 0.00 0.00 179.25 179.57 2tbd h ILE 80 N -0.34 1.07 0.00 0.00 1.08 -1.52 0.30 117.51 118.10 2tbd h ILE 80 Ca -0.01 -0.47 -0.07 0.00 -0.39 0.00 0.00 64.86 63.92 2tbd h ILE 80 Cb 0.29 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 2tbd h ILE 80 CO 0.02 0.13 -0.32 -1.13 -0.69 0.00 0.00 178.15 176.16 2tbd h ASN 81 N 0.00 0.00 0.35 1.72 -1.24 -0.28 -1.22 115.58 114.92 2tbd h ASN 81 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 2tbd h ASN 81 Cb 0.25 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 2tbd h ASN 81 CO 0.02 0.32 -0.39 0.78 -1.29 0.00 0.00 177.43 176.86 2tbd h ASN 82 N 0.00 0.06 0.00 1.15 -0.26 0.41 -0.50 115.58 116.44 2tbd h ASN 82 Ca -0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2tbd h ASN 82 Cb 0.68 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 2tbd h ASN 82 CO 0.04 0.45 -0.16 0.22 -1.06 0.00 0.00 177.43 176.92 2tbd h TYR 83 N 0.05 0.00 -0.95 1.19 3.20 -1.30 -2.86 116.97 116.30 2tbd h TYR 83 Ca 0.00 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.10 2tbd h TYR 83 Cb 0.72 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.87 2tbd h TYR 83 CO 0.00 0.00 0.50 0.00 -1.64 0.00 0.00 178.16 177.02 2tbd h ALA 84 N -1.50 1.61 -0.45 1.82 0.00 -1.36 0.53 119.26 119.92 2tbd h ALA 84 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2tbd h ALA 84 Cb 0.16 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2tbd h ALA 84 CO 0.00 -0.30 -0.08 0.37 0.00 0.00 0.00 179.25 179.25 2tbd h GLN 85 N 0.50 0.78 0.00 0.00 5.75 -1.25 -0.93 115.11 119.96 2tbd h GLN 85 Ca 0.60 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 2tbd h GLN 85 Cb 1.13 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.61 2tbd h GLN 85 CO -0.50 0.84 0.00 1.63 -2.65 0.00 0.00 178.83 178.15 2tbd n LYS 86 N -4.18 0.11 -0.77 1.69 5.02 0.18 -1.66 118.16 118.55 2tbd n LYS 86 Ca 0.02 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2tbd n LYS 86 Cb 0.35 -1.73 0.28 0.00 -0.02 0.00 0.00 35.03 33.90 2tbd n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2tbd n LEU 87 N -1.95 5.01 -1.95 -0.35 4.77 -0.36 -4.24 117.00 117.93 2tbd n LEU 87 Ca 0.02 -2.57 -0.15 0.00 -0.03 0.00 0.00 56.01 53.27 2tbd n LEU 87 Cb 0.18 -0.67 0.22 0.00 -2.33 0.00 0.00 43.42 40.81 2tbd n LEU 87 CO 0.16 0.63 1.11 0.00 -1.33 0.00 0.00 177.39 177.96 2tbd n THR 89 N -0.90 1.18 -0.81 0.00 -2.24 -1.26 -3.95 114.28 106.29 2tbd n THR 89 Ca 0.50 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2tbd n THR 89 Cb 1.48 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 1.04 0.00 0.00 4.78 -1.74 -1.26 -5.12 117.46 115.16 2tbd n PHE 90 Ca 0.20 -0.06 0.00 0.00 -0.56 0.00 0.00 57.45 57.03 2tbd n PHE 90 Cb 0.64 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.63 2tbd n PHE 90 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2tbd n SER 91 N -0.06 0.00 -3.96 5.98 7.64 -1.25 -4.96 113.62 117.00 2tbd n SER 91 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 2tbd n SER 91 Cb 0.37 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.83 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2tbd s PHE 92 N -2.00 0.44 -0.28 1.43 -0.71 -1.26 -4.60 117.98 110.99 2tbd s PHE 92 Ca 0.00 0.80 -0.13 0.00 -1.04 0.00 0.00 56.93 56.55 2tbd s PHE 92 Cb 0.00 -3.07 0.10 0.00 -1.21 0.00 0.00 43.02 38.84 2tbd s PHE 92 CO 0.00 -4.31 0.66 -1.17 -1.34 0.00 0.00 175.22 169.06 2tbd s LEU 93 N -7.41 -1.01 -0.59 -1.99 0.20 -1.26 -4.59 118.68 102.03 2tbd s LEU 93 Ca 0.69 1.52 0.06 0.00 0.69 0.00 0.00 54.13 57.09 2tbd s LEU 93 Cb -0.17 2.32 0.21 0.00 -0.43 0.00 0.00 46.19 48.12 2tbd s LEU 93 CO 0.60 -0.23 0.57 -0.38 -0.29 0.00 0.00 176.35 176.62 2tbd n ILE 94 N 4.80 1.12 -2.81 6.68 5.41 -0.77 -5.02 119.36 128.78 2tbd n ILE 94 Ca -0.17 -4.66 -0.35 0.00 1.00 0.00 0.00 62.75 58.57 2tbd n ILE 94 Cb 0.55 -2.04 -0.07 0.00 -0.71 0.00 0.00 39.64 37.37 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2tbd s LYS 96 N -2.50 1.34 0.72 0.00 1.02 -0.85 -4.94 119.74 114.54 2tbd s LYS 96 Ca 0.55 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 2tbd s LYS 96 Cb -0.15 0.52 0.12 0.00 -0.52 0.00 0.00 37.83 37.80 2tbd s LYS 96 CO 0.19 -0.56 1.00 0.20 -0.92 0.00 0.00 175.35 175.26 2tbd s GLY 97 N -2.86 1.76 -0.05 -3.33 0.00 -1.26 -0.84 107.32 100.74 2tbd s GLY 97 Ca 0.08 -1.57 0.02 0.00 0.00 0.00 0.00 44.72 43.25 2tbd s GLY 97 CO -0.04 -1.03 -0.08 0.14 0.00 0.00 0.00 173.10 172.09 2tbd s VAL 98 N -3.17 0.81 0.01 1.40 1.01 -0.92 -3.78 120.40 115.75 2tbd s VAL 98 Ca 0.65 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2tbd s VAL 98 Cb -0.06 -0.77 -0.26 0.00 0.00 0.00 0.00 36.38 35.28 2tbd s VAL 98 CO 0.44 0.28 0.87 0.78 0.00 0.00 0.00 175.10 177.47 2tbd h ASN 99 N 7.04 0.30 -3.37 3.32 2.35 -1.82 -3.40 115.58 119.99 2tbd h ASN 99 Ca -0.35 -0.42 -0.63 0.00 -0.55 0.00 0.00 56.30 54.35 2tbd h ASN 99 Cb 1.17 -0.10 -0.41 0.00 0.05 0.00 0.00 38.32 39.03 2tbd h ASN 99 CO 0.48 1.35 -0.54 -0.54 -1.65 0.00 0.00 177.43 176.53 2tbd s LYS 100 N -2.62 2.45 0.00 0.81 1.02 -1.26 -5.00 119.74 115.13 2tbd s LYS 100 Ca -0.08 -3.20 0.00 0.00 0.02 0.00 0.00 55.97 52.71 2tbd s LYS 100 Cb 0.07 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 2tbd s LYS 100 CO 0.84 -1.25 0.44 -0.85 -0.92 0.00 0.00 175.35 173.61 2tbd n GLU 101 N 2.22 0.00 -0.01 1.68 0.00 -1.26 -1.69 120.64 121.57 2tbd n GLU 101 Ca 0.17 0.40 -0.00 0.00 0.00 0.00 0.00 57.16 57.73 2tbd n GLU 101 Cb 0.35 -0.94 -0.00 0.00 0.00 0.00 0.00 31.44 30.85 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2tbd n TYR 102 N -0.84 -0.01 0.00 -1.84 4.19 -1.26 -2.12 117.16 115.28 2tbd n TYR 102 Ca 0.00 0.04 0.00 0.00 3.31 0.00 0.00 57.90 61.25 2tbd n TYR 102 Cb 0.00 -0.39 0.00 0.00 0.49 0.00 0.00 39.34 39.44 2tbd n TYR 102 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2tbd n LEU 103 N -2.85 0.00 -0.26 2.98 4.77 -1.14 0.17 117.00 120.67 2tbd n LEU 103 Ca 0.00 0.89 0.22 0.00 -0.03 0.00 0.00 56.01 57.10 2tbd n LEU 103 Cb 0.01 -0.42 0.42 0.00 -2.33 0.00 0.00 43.42 41.10 2tbd n LEU 103 CO -0.01 -0.42 0.81 0.80 -1.33 0.00 0.00 177.39 177.24 2tbd n MET 104 N -2.70 -0.05 0.07 3.23 1.56 -0.68 0.13 117.12 118.67 2tbd n MET 104 Ca 0.00 1.14 -0.13 0.00 -0.27 0.00 0.00 57.70 58.44 2tbd n MET 104 Cb 0.00 -1.99 -0.08 0.00 2.15 0.00 0.00 33.22 33.30 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 -0.14 0.36 1.12 5.03 0.16 -0.86 116.97 122.65 2tbd h TYR 105 Ca 0.64 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.94 2tbd h TYR 105 Cb 1.62 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.92 2tbd h TYR 105 CO -0.11 0.13 -0.47 1.03 -1.32 0.00 0.00 178.16 177.43 2tbd h SER 106 N -0.40 -1.32 -0.02 -2.11 0.87 0.21 0.22 113.55 110.99 2tbd h SER 106 Ca -0.02 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2tbd h SER 106 Cb 0.33 0.46 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2tbd h SER 106 CO 0.02 -0.60 0.20 0.00 -0.53 0.00 0.00 176.83 175.93 2tbd h ALA 107 N -0.61 1.27 0.09 6.23 0.00 -1.26 0.12 119.26 125.10 2tbd h ALA 107 Ca -0.03 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 2tbd h ALA 107 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2tbd h ALA 107 CO -0.13 -0.21 -1.16 -0.07 0.00 0.00 0.00 179.25 177.68 2tbd h LEU 108 N 0.00 0.37 0.00 0.00 3.38 0.85 -3.26 115.31 116.65 2tbd h LEU 108 Ca 0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2tbd h LEU 108 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2tbd h LEU 108 CO -0.00 1.28 -0.62 0.71 0.09 0.00 0.00 178.44 179.90 2tbd h THR 109 N 0.08 0.00 -3.25 0.22 1.35 0.89 -3.29 112.91 108.92 2tbd h THR 109 Ca -0.11 -0.61 -0.57 0.00 -0.55 0.00 0.00 66.41 64.57 2tbd h THR 109 Cb 1.88 1.23 -0.04 0.00 -1.73 0.00 0.00 68.15 69.48 2tbd h THR 109 CO 0.19 0.00 -0.03 -0.60 -0.25 0.00 0.00 175.52 174.83 2tbd s ARG 110 N -3.20 4.22 0.63 4.72 3.52 -0.25 -4.51 118.95 124.08 2tbd s ARG 110 Ca 0.05 0.76 -0.17 0.00 -0.13 0.00 0.00 55.73 56.24 2tbd s ARG 110 Cb 0.12 -3.24 -0.09 0.00 -1.56 0.00 0.00 34.95 30.19 2tbd s ARG 110 CO 0.72 0.64 0.34 -0.25 -0.81 0.00 0.00 175.30 175.93 2tbd n ASP 111 N 1.72 -1.84 0.00 -2.12 8.00 -1.26 -0.98 116.55 120.07 2tbd n ASP 111 Ca -0.10 0.64 0.15 0.00 0.71 0.00 0.00 54.79 56.19 2tbd n ASP 111 Cb 0.51 -1.11 0.88 0.00 -0.02 0.00 0.00 41.12 41.38 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2tbd n PRO 112 N 0.14 0.87 -2.56 -0.24 -0.04 -1.26 -5.00 135.00 126.92 2tbd n PRO 112 Ca 0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 2tbd n PRO 112 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.08 2.54 0.31 0.54 0.08 -0.15 -4.67 117.98 114.55 2tbd s PHE 113 Ca 0.43 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.82 2tbd s PHE 113 Cb 0.21 -4.53 0.06 0.00 -0.57 0.00 0.00 43.02 38.19 2tbd s PHE 113 CO 0.36 -1.69 0.42 0.45 -0.10 0.00 0.00 175.22 174.67 2tbd n SER 114 N 8.66 0.46 -4.60 1.36 2.88 -0.80 -2.58 113.62 119.00 2tbd n SER 114 Ca 0.08 -1.41 -0.24 0.00 -1.33 0.00 0.00 58.87 55.97 2tbd n SER 114 Cb 0.49 -0.28 -0.08 0.00 -0.75 0.00 0.00 64.21 63.58 2tbd n SER 114 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2tbd s VAL 115 N -1.28 3.21 0.18 2.46 1.01 -1.26 -2.37 120.40 122.36 2tbd s VAL 115 Ca 0.27 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2tbd s VAL 115 Cb -0.01 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2tbd s VAL 115 CO 0.18 -0.34 0.00 -0.38 0.00 0.00 0.00 175.10 174.57 2tbd n ILE 116 N -0.69 0.46 -3.31 2.22 5.41 0.35 -4.73 119.36 119.07 2tbd n ILE 116 Ca -0.07 0.15 -0.04 0.00 1.00 0.00 0.00 62.75 63.79 2tbd n ILE 116 Cb 0.59 -0.89 -0.05 0.00 -0.71 0.00 0.00 39.64 38.57 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 -1.84 0.44 0.50 0.38 2.12 -1.07 -4.97 118.70 114.26 2tbd s GLU 117 Ca 0.00 0.78 0.05 0.00 0.36 0.00 0.00 54.97 56.16 2tbd s GLU 117 Cb 0.00 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.41 2tbd s GLU 117 CO 0.00 -0.59 0.26 -1.21 -0.54 0.00 0.00 175.26 173.18 2tbd s GLU 118 N 2.68 2.25 -0.06 4.30 8.01 -1.26 -1.67 118.70 132.95 2tbd s GLU 118 Ca 0.14 -2.03 0.20 0.00 0.01 0.00 0.00 54.97 53.29 2tbd s GLU 118 Cb -0.15 -1.96 -0.28 0.00 -4.31 0.00 0.00 34.13 27.44 2tbd s GLU 118 CO -0.18 -0.41 0.41 0.45 0.01 0.00 0.00 175.26 175.54 2tbd n SER 119 N -1.51 0.12 -4.84 -0.19 2.88 -0.61 -4.94 113.62 104.53 2tbd n SER 119 Ca -0.05 0.05 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2tbd n SER 119 Cb 0.65 1.45 -0.05 0.00 -0.75 0.00 0.00 64.21 65.51 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 -4.98 4.00 -0.09 2.46 1.43 -1.26 -4.99 118.68 115.25 2tbd s LEU 120 Ca -0.08 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 52.96 2tbd s LEU 120 Cb 0.11 -2.63 -0.08 0.00 0.03 0.00 0.00 46.19 43.62 2tbd s LEU 120 CO 0.87 0.12 0.34 1.55 0.23 0.00 0.00 176.35 179.46 2tbd h PRO 121 N 2.81 -0.11 -0.55 1.29 0.13 -1.98 -3.35 132.00 130.23 2tbd h PRO 121 Ca -0.47 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2tbd h PRO 121 Cb 1.18 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2tbd h PRO 121 CO 0.67 0.14 0.08 0.78 -0.23 0.00 0.00 178.00 179.45 2tbd h GLY 122 N -1.00 0.99 0.00 1.56 0.00 -2.03 -3.48 103.07 99.10 2tbd h GLY 122 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.65 2tbd h GLY 122 CO 0.02 0.62 0.00 0.61 0.00 0.00 0.00 176.54 177.78 2tbd n GLY 123 N -0.52 0.30 1.03 4.60 0.00 -1.26 -5.04 105.19 104.29 2tbd n GLY 123 Ca 0.02 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.44 2tbd n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2tbd n LEU 124 N 0.00 -0.51 0.00 0.99 4.77 -1.26 -5.04 117.00 115.95 2tbd n LEU 124 Ca 0.00 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 2tbd n LEU 124 Cb 0.00 -3.30 0.00 0.00 -2.33 0.00 0.00 43.42 37.79 2tbd n LEU 124 CO 0.00 -1.98 0.00 1.17 -1.33 0.00 0.00 177.39 175.25 2tbd n LYS 125 N -3.24 0.00 -0.17 3.23 0.00 -1.26 -4.95 118.16 111.78 2tbd n LYS 125 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.34 2tbd n LYS 125 Cb 0.61 0.00 0.13 0.00 0.00 0.00 0.00 35.03 35.78 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 1.75 0.23 1.64 0.28 -1.26 -3.30 120.64 119.98 2tbd n GLU 126 Ca 0.00 -1.10 0.06 0.00 -0.16 0.00 0.00 57.16 55.97 2tbd n GLU 126 Cb 0.00 -1.27 0.53 0.00 1.43 0.00 0.00 31.44 32.13 2tbd n GLU 126 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 2tbd h HIS 127 N 1.75 0.00 0.00 -1.84 2.07 -1.98 -3.30 115.15 111.86 2tbd h HIS 127 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2tbd h HIS 127 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 2tbd h HIS 127 CO 0.22 0.19 -0.14 -3.47 -3.07 0.00 0.00 177.93 171.66 2tbd n ASP 128 N -4.20 0.00 -0.08 3.10 2.03 -1.26 -4.81 116.55 111.34 2tbd n ASP 128 Ca -0.02 -1.28 -0.15 0.00 0.52 0.00 0.00 54.79 53.86 2tbd n ASP 128 Cb 0.25 -0.06 -0.07 0.00 -0.72 0.00 0.00 41.12 40.53 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2tbd n PHE 129 N 0.00 0.00 0.05 -0.67 3.72 -1.21 -4.73 117.46 114.62 2tbd n PHE 129 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 2tbd n PHE 129 Cb 0.56 -0.63 -0.15 0.00 -0.94 0.00 0.00 39.48 38.32 2tbd n PHE 129 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2tbd h ASN 130 N -0.30 0.48 -3.89 4.37 -0.00 -1.78 -3.46 115.58 111.01 2tbd h ASN 130 Ca -0.40 -0.92 -0.48 0.00 -0.00 0.00 0.00 56.30 54.50 2tbd h ASN 130 Cb 1.48 -0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 39.64 2tbd h ASN 130 CO -0.16 1.49 0.38 -2.16 -0.00 0.00 0.00 177.43 176.98 2tbd s PRO 131 N -2.46 4.49 0.00 6.67 0.04 -1.26 -5.07 135.00 137.42 2tbd s PRO 131 Ca -0.15 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2tbd s PRO 131 Cb 0.02 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2tbd s PRO 131 CO 0.83 0.16 0.00 0.39 0.04 0.00 0.00 177.00 178.42 2tbd n GLU 132 N 0.53 1.05 -1.63 4.56 1.02 -1.26 -4.81 120.64 120.09 2tbd n GLU 132 Ca 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.15 2tbd n GLU 132 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.90 2tbd n GLU 132 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2tbd n SER 133 N -2.28 -1.80 0.00 1.62 2.88 -1.26 -5.10 113.62 107.68 2tbd n SER 133 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2tbd n SER 133 Cb 0.00 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.95 2tbd n SER 133 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27