#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 3.46 -4.24 1.61 7.64 -1.26 -4.98 113.62 115.86 2tbd n SER 2 Ca 0.00 -2.16 -0.14 0.00 1.01 0.00 0.00 58.87 57.59 2tbd n SER 2 Cb 0.00 -0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 62.74 2tbd n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2tbd s LYS 3 N -1.28 1.07 0.04 1.43 1.02 -1.26 -5.09 119.74 115.66 2tbd s LYS 3 Ca 0.34 -1.48 -0.38 0.00 0.02 0.00 0.00 55.97 54.46 2tbd s LYS 3 Cb 0.20 -0.44 -0.19 0.00 -0.52 0.00 0.00 37.83 36.88 2tbd s LYS 3 CO 0.20 -0.03 1.12 1.55 -0.92 0.00 0.00 175.35 177.27 2tbd n VAL 4 N -0.21 0.12 -4.24 3.17 3.14 -1.26 -4.94 118.33 114.11 2tbd n VAL 4 Ca -0.09 -0.03 -0.12 0.00 -2.96 0.00 0.00 64.34 61.14 2tbd n VAL 4 Cb 0.62 -0.23 -0.03 0.00 -1.06 0.00 0.00 33.84 33.13 2tbd n VAL 4 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2tbd n GLU 5 N 1.74 0.84 -2.89 1.45 2.13 -1.26 -5.04 120.64 117.61 2tbd n GLU 5 Ca 0.19 -1.59 -0.41 0.00 0.66 0.00 0.00 57.16 56.02 2tbd n GLU 5 Cb 0.12 0.82 -0.04 0.00 0.27 0.00 0.00 31.44 32.61 2tbd n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2tbd s ASP 6 N -2.16 7.15 -0.02 4.31 1.11 -1.26 -5.02 116.67 120.78 2tbd s ASP 6 Ca 0.08 1.39 -0.30 0.00 0.18 0.00 0.00 52.55 53.90 2tbd s ASP 6 Cb 0.00 -2.48 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 2tbd s ASP 6 CO 0.06 -0.21 1.05 -2.16 1.18 0.00 0.00 175.17 175.09 2tbd s PRO 7 N 1.05 4.48 0.00 8.23 0.04 -1.26 -4.92 135.00 142.62 2tbd s PRO 7 Ca 0.44 1.50 0.29 0.00 0.04 0.00 0.00 61.00 63.26 2tbd s PRO 7 Cb -0.19 -3.47 1.20 0.00 0.04 0.00 0.00 34.50 32.08 2tbd s PRO 7 CO 0.22 -0.19 1.87 1.63 0.04 0.00 0.00 177.00 180.57 2tbd n LYS 8 N 4.31 0.24 -2.24 4.56 4.01 -1.26 -4.95 118.16 122.83 2tbd n LYS 8 Ca 0.08 -0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 2tbd n LYS 8 Cb 0.49 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.52 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 -1.34 -0.30 -4.39 4.39 5.75 -1.26 -4.98 116.55 114.41 2tbd n ASP 9 Ca 0.10 -1.09 -0.32 0.00 -0.01 0.00 0.00 54.79 53.46 2tbd n ASP 9 Cb 0.30 0.47 0.15 0.00 -1.03 0.00 0.00 41.12 41.02 2tbd n ASP 9 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2tbd n PHE 10 N -0.20 -1.26 -1.79 2.11 3.01 -1.26 -4.96 117.46 113.12 2tbd n PHE 10 Ca 0.01 0.19 -0.30 0.00 1.01 0.00 0.00 57.45 58.35 2tbd n PHE 10 Cb 0.13 -1.72 0.05 0.00 -0.01 0.00 0.00 39.48 37.93 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 -3.70 2.76 0.48 -1.08 0.04 -1.26 -4.89 135.00 127.35 2tbd s PRO 11 Ca 0.58 0.56 0.22 0.00 0.04 0.00 0.00 61.00 62.40 2tbd s PRO 11 Cb -0.19 -2.00 1.20 0.00 0.04 0.00 0.00 34.50 33.55 2tbd s PRO 11 CO 0.66 -1.13 2.00 1.03 0.04 0.00 0.00 177.00 179.60 2tbd h SER 12 N -0.72 0.00 0.21 6.66 0.87 -1.98 -1.49 113.55 117.09 2tbd h SER 12 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2tbd h SER 12 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2tbd h SER 12 CO 0.62 0.18 0.00 -0.62 -0.53 0.00 0.00 176.83 176.48 2tbd n GLU 13 N -3.83 0.28 0.00 2.24 1.02 -1.26 -2.34 120.64 116.74 2tbd n GLU 13 Ca -0.02 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2tbd n GLU 13 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2tbd n GLU 13 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2tbd n LEU 14 N -1.21 0.58 -0.68 -4.62 7.99 -0.60 -4.67 117.00 113.79 2tbd n LEU 14 Ca 0.08 -0.61 0.03 0.00 -0.01 0.00 0.00 56.01 55.50 2tbd n LEU 14 Cb 0.10 0.00 0.12 0.00 -0.11 0.00 0.00 43.42 43.53 2tbd n LEU 14 CO 0.11 0.15 0.53 0.18 -1.51 0.00 0.00 177.39 176.85 2tbd n LEU 15 N -0.05 1.87 -0.05 2.23 4.77 -0.94 -3.61 117.00 121.21 2tbd n LEU 15 Ca 0.00 -0.94 0.13 0.00 -0.03 0.00 0.00 56.01 55.17 2tbd n LEU 15 Cb 0.08 -0.34 0.39 0.00 -2.33 0.00 0.00 43.42 41.23 2tbd n LEU 15 CO 0.00 0.35 0.64 -1.20 -1.33 0.00 0.00 177.39 175.85 2tbd n SER 16 N 0.22 0.48 -2.92 -1.43 7.64 -1.26 -4.58 113.62 111.77 2tbd n SER 16 Ca 0.09 -0.25 -0.04 0.00 1.01 0.00 0.00 58.87 59.68 2tbd n SER 16 Cb 0.36 0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -2.85 -1.51 0.19 1.43 -0.12 -1.24 -5.15 117.98 108.74 2tbd s PHE 17 Ca 0.16 -0.44 -0.02 0.00 -0.05 0.00 0.00 56.93 56.59 2tbd s PHE 17 Cb 0.18 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 2tbd s PHE 17 CO 0.61 -1.23 0.14 -0.51 -0.05 0.00 0.00 175.22 174.18 2tbd s LEU 18 N 1.10 1.21 0.13 -1.99 1.43 -1.26 -4.79 118.68 114.51 2tbd s LEU 18 Ca 0.26 -1.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.10 2tbd s LEU 18 Cb -0.01 0.47 -0.18 0.00 0.03 0.00 0.00 46.19 46.49 2tbd s LEU 18 CO -0.06 -0.84 1.29 -1.28 0.23 0.00 0.00 176.35 175.69 2tbd h SER 19 N 2.64 0.06 -5.58 2.29 0.87 -1.92 -3.46 113.55 108.45 2tbd h SER 19 Ca -0.35 -0.06 -0.29 0.00 -1.23 0.00 0.00 61.79 59.86 2tbd h SER 19 Cb 1.24 -0.02 0.18 0.00 -0.44 0.00 0.00 62.40 63.36 2tbd h SER 19 CO 0.53 1.02 -0.83 1.41 -0.53 0.00 0.00 176.83 178.43 2tbd n HIS 20 N -3.41 -2.32 -3.59 2.24 -0.00 -1.26 -5.01 115.22 101.87 2tbd n HIS 20 Ca -0.01 0.87 -0.15 0.00 -0.00 0.00 0.00 57.72 58.44 2tbd n HIS 20 Cb 0.93 -4.47 -0.07 0.00 -0.00 0.00 0.00 29.99 26.38 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 -3.39 -1.81 -0.05 -1.41 0.00 -1.26 -5.04 121.76 108.80 2tbd s ALA 21 Ca 0.27 1.75 0.14 0.00 0.00 0.00 0.00 51.96 54.12 2tbd s ALA 21 Cb -0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 23.12 22.09 2tbd s ALA 21 CO 0.74 -0.34 0.25 0.28 0.00 0.00 0.00 175.76 176.70 2tbd n VAL 22 N 1.92 0.22 0.05 0.00 0.31 -1.26 -4.47 118.33 115.11 2tbd n VAL 22 Ca -0.15 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2tbd n VAL 22 Cb 0.56 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 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 -2.12 -0.19 -2.85 3.52 3.01 -1.26 -4.15 117.46 113.41 2tbd n PHE 23 Ca -0.07 0.03 0.05 0.00 1.01 0.00 0.00 57.45 58.46 2tbd n PHE 23 Cb 0.51 0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 40.02 2tbd n PHE 23 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2tbd n SER 24 N -3.43 -4.99 0.00 4.37 2.88 -1.26 -4.28 113.62 106.90 2tbd n SER 24 Ca 0.00 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2tbd n SER 24 Cb 0.06 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 2tbd n SER 24 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2tbd n ASN 25 N -3.61 1.51 -4.74 -3.46 5.15 -1.26 -4.97 115.26 103.89 2tbd n ASN 25 Ca 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.61 2tbd n ASN 25 Cb 0.15 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.46 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 -1.61 2.79 0.27 1.20 0.52 -1.26 -4.96 118.95 115.90 2tbd s ARG 26 Ca 0.00 2.15 -0.26 0.00 -0.52 0.00 0.00 55.73 57.10 2tbd s ARG 26 Cb 0.00 -2.02 -0.09 0.00 0.52 0.00 0.00 34.95 33.36 2tbd s ARG 26 CO 0.00 -1.44 0.90 0.95 0.02 0.00 0.00 175.30 175.72 2tbd s THR 27 N -1.35 4.24 0.10 0.02 -4.23 -1.26 -4.69 115.64 108.48 2tbd s THR 27 Ca 0.78 1.80 0.06 0.00 -1.18 0.00 0.00 61.69 63.16 2tbd s THR 27 Cb -0.39 -4.08 -0.03 0.00 1.34 0.00 0.00 72.50 69.34 2tbd s THR 27 CO 0.43 0.27 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.87 2tbd s LEU 28 N -1.74 2.34 0.00 4.79 1.02 -0.01 -4.91 118.68 120.16 2tbd s LEU 28 Ca 0.46 -0.72 0.00 0.00 0.02 0.00 0.00 54.13 53.89 2tbd s LEU 28 Cb -0.21 -0.64 0.00 0.00 0.02 0.00 0.00 46.19 45.37 2tbd s LEU 28 CO 0.26 -0.07 0.06 0.00 0.02 0.00 0.00 176.35 176.62 2tbd n ALA 29 N 0.91 1.46 -3.52 4.21 0.00 -1.26 -1.65 120.51 120.66 2tbd n ALA 29 Ca -0.18 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 2tbd n ALA 29 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 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 1.36 1.98 -0.23 0.00 0.40 -1.09 -1.72 117.98 118.67 2tbd s PHE 31 Ca -0.01 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 55.87 2tbd s PHE 31 Cb -0.18 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 2tbd s PHE 31 CO -0.01 -0.04 0.05 0.00 0.70 0.00 0.00 175.22 175.91 2tbd s ALA 32 N -0.49 3.14 -0.08 5.36 0.00 0.12 -2.09 121.76 127.73 2tbd s ALA 32 Ca 0.08 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 2tbd s ALA 32 Cb -0.09 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2tbd s ALA 32 CO -0.01 -0.35 0.13 0.42 0.00 0.00 0.00 175.76 175.95 2tbd s ILE 33 N 1.36 5.26 -0.41 0.00 1.01 -0.65 -2.20 121.20 125.58 2tbd s ILE 33 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.73 2tbd s ILE 33 Cb -0.15 -3.34 0.12 0.00 0.01 0.00 0.00 42.46 39.10 2tbd s ILE 33 CO 0.03 0.52 0.16 -0.47 0.00 0.00 0.00 174.94 175.17 2tbd s TYR 34 N -1.10 2.89 0.19 3.97 5.04 -0.43 -0.60 117.35 127.31 2tbd s TYR 34 Ca 0.19 -2.74 0.05 0.00 -2.44 0.00 0.00 57.07 52.13 2tbd s TYR 34 Cb -0.12 -2.49 -0.05 0.00 0.35 0.00 0.00 41.96 39.65 2tbd s TYR 34 CO 0.08 -0.84 -0.08 0.95 -1.34 0.00 0.00 175.55 174.33 2tbd s THR 35 N 0.54 1.23 0.94 4.34 -4.23 -0.90 -1.72 115.64 115.83 2tbd s THR 35 Ca 0.14 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 58.47 2tbd s THR 35 Cb -0.22 -2.05 0.15 0.00 1.34 0.00 0.00 72.50 71.73 2tbd s THR 35 CO -0.07 -0.58 1.11 0.35 -0.54 0.00 0.00 174.62 174.90 2tbd n THR 36 N -0.30 0.00 -0.03 3.99 -2.24 -1.26 -1.97 114.28 112.46 2tbd n THR 36 Ca -0.08 -0.03 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 2tbd n THR 36 Cb 0.62 -0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.95 -0.19 -1.54 -0.78 2.10 -1.86 0.13 116.57 112.49 2tbd h LYS 37 Ca -0.44 0.01 0.45 0.00 -2.00 0.00 0.00 60.65 58.67 2tbd h LYS 37 Cb 1.27 0.04 -0.06 0.00 -0.90 0.00 0.00 32.23 32.59 2tbd h LYS 37 CO 0.41 -0.13 1.14 0.93 -2.00 0.00 0.00 179.45 179.81 2tbd h GLU 38 N -0.20 0.00 0.39 0.07 5.08 -2.00 -1.23 114.58 116.70 2tbd h GLU 38 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2tbd h GLU 38 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2tbd h GLU 38 CO -0.22 0.00 -0.19 0.87 -1.00 0.00 0.00 179.01 178.47 2tbd h LYS 39 N 0.00 -0.51 -0.39 2.33 1.79 -1.06 -3.14 116.57 115.59 2tbd h LYS 39 Ca 0.73 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 59.35 2tbd h LYS 39 Cb 3.01 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 33.76 2tbd h LYS 39 CO -0.01 -0.34 0.43 0.00 -1.08 0.00 0.00 179.45 178.45 2tbd h ALA 40 N -1.34 2.08 -0.89 3.86 0.00 -0.85 -0.07 119.26 122.06 2tbd h ALA 40 Ca -0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2tbd h ALA 40 Cb 0.41 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2tbd h ALA 40 CO 0.09 -0.63 0.59 0.00 0.00 0.00 0.00 179.25 179.30 2tbd h ALA 41 N 1.51 1.39 0.13 0.00 0.00 -1.35 -0.01 119.26 120.94 2tbd h ALA 41 Ca 0.18 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.68 2tbd h ALA 41 Cb 1.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2tbd h ALA 41 CO -0.00 0.54 -1.98 -0.07 0.00 0.00 0.00 179.25 177.75 2tbd h LEU 42 N 1.17 0.42 -2.13 0.00 3.38 -1.09 -3.22 115.31 113.84 2tbd h LEU 42 Ca 0.34 -0.94 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 2tbd h LEU 42 Cb -0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2tbd h LEU 42 CO -0.08 1.84 -0.04 -0.07 0.09 0.00 0.00 178.44 180.17 2tbd h LEU 43 N 0.07 0.00 0.00 1.67 3.38 -1.29 0.30 115.31 119.44 2tbd h LEU 43 Ca -0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2tbd h LEU 43 Cb 2.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.79 2tbd h LEU 43 CO 0.10 0.04 -0.08 0.22 0.09 0.00 0.00 178.44 178.81 2tbd h TYR 44 N 0.00 0.00 0.00 1.13 5.03 -1.12 -1.12 116.97 120.89 2tbd h TYR 44 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2tbd h TYR 44 Cb 0.28 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2tbd h TYR 44 CO 0.00 0.85 0.00 -0.22 -1.32 0.00 0.00 178.16 177.47 2tbd h LYS 45 N -1.00 0.00 0.00 1.82 3.64 -1.51 -1.21 116.57 118.31 2tbd h LYS 45 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2tbd h LYS 45 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2tbd h LYS 45 CO -0.01 0.00 -0.48 1.63 -2.27 0.00 0.00 179.45 178.32 2tbd n LYS 46 N -3.03 0.42 -0.24 1.90 4.76 0.07 -4.31 118.16 117.73 2tbd n LYS 46 Ca -0.01 0.50 0.10 0.00 -2.87 0.00 0.00 58.31 56.03 2tbd n LYS 46 Cb 0.19 -1.62 0.37 0.00 -1.84 0.00 0.00 35.03 32.14 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 -0.92 0.90 -1.64 -0.18 1.08 -1.23 0.94 117.51 116.46 2tbd h ILE 47 Ca 0.00 -0.24 0.51 0.00 -0.39 0.00 0.00 64.86 64.74 2tbd h ILE 47 Cb 0.48 0.13 -0.11 0.00 -3.07 0.00 0.00 36.82 34.25 2tbd h ILE 47 CO 0.00 0.13 1.13 0.24 -0.69 0.00 0.00 178.15 178.96 2tbd h MET 48 N 0.71 0.02 0.00 2.37 2.86 -1.40 0.02 114.93 119.51 2tbd h MET 48 Ca 0.40 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2tbd h MET 48 Cb 0.57 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2tbd h MET 48 CO -0.17 0.01 0.00 -1.91 1.06 0.00 0.00 176.91 175.91 2tbd n GLU 49 N -4.33 1.04 0.14 1.72 4.07 -0.62 -4.05 120.64 118.60 2tbd n GLU 49 Ca 0.41 -0.22 0.06 0.00 -0.06 0.00 0.00 57.16 57.36 2tbd n GLU 49 Cb 1.74 -0.66 0.04 0.00 -0.06 0.00 0.00 31.44 32.51 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2tbd h LYS 50 N 0.00 0.00 0.00 5.31 3.64 0.11 -3.37 116.57 122.26 2tbd h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2tbd h LYS 50 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2tbd h LYS 50 CO 0.00 0.24 -0.10 0.66 -2.27 0.00 0.00 179.45 177.98 2tbd n TYR 51 N -3.04 0.00 -4.02 1.91 4.02 -0.89 -5.01 117.16 110.14 2tbd n TYR 51 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 2tbd n TYR 51 Cb 0.67 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.96 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 0.00 -1.71 -4.63 7.72 7.64 -1.23 -3.87 113.62 117.53 2tbd n SER 52 Ca 0.00 -1.14 -0.48 0.00 1.01 0.00 0.00 58.87 58.26 2tbd n SER 52 Cb 0.54 -2.47 -0.05 0.00 -1.01 0.00 0.00 64.21 61.22 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 -4.54 0.29 -0.00 0.44 0.24 -1.25 -4.25 118.33 109.26 2tbd n VAL 53 Ca -0.23 -0.07 -0.02 0.00 -2.04 0.00 0.00 64.34 61.97 2tbd n VAL 53 Cb 0.65 -1.17 0.24 0.00 -1.47 0.00 0.00 33.84 32.09 2tbd n VAL 53 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2tbd h THR 54 N 3.28 1.23 -2.39 3.34 2.02 -1.85 -3.43 112.91 115.11 2tbd h THR 54 Ca -0.46 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 2tbd h THR 54 Cb 1.30 1.11 -0.25 0.00 -1.74 0.00 0.00 68.15 68.57 2tbd h THR 54 CO 0.80 0.33 -0.20 0.12 0.37 0.00 0.00 175.52 176.94 2tbd s PHE 55 N -4.77 -0.82 -0.07 3.16 5.36 -1.26 -4.82 117.98 114.76 2tbd s PHE 55 Ca -0.07 1.65 -0.03 0.00 -0.96 0.00 0.00 56.93 57.51 2tbd s PHE 55 Cb 0.15 0.42 0.04 0.00 -0.34 0.00 0.00 43.02 43.29 2tbd s PHE 55 CO 0.78 -0.44 0.14 -1.50 -1.46 0.00 0.00 175.22 172.74 2tbd s ILE 56 N 1.73 -0.21 0.06 3.12 2.07 -1.26 -1.96 121.20 124.75 2tbd s ILE 56 Ca -0.08 0.35 0.03 0.00 -1.41 0.00 0.00 60.65 59.53 2tbd s ILE 56 Cb -0.08 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 2tbd s ILE 56 CO -0.15 0.15 -0.09 -0.55 -1.91 0.00 0.00 174.94 172.39 2tbd s SER 57 N 2.16 1.05 -0.19 4.50 0.15 -0.90 -2.40 113.70 118.06 2tbd s SER 57 Ca 0.02 -0.65 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 2tbd s SER 57 Cb -0.12 0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.21 2tbd s SER 57 CO -0.05 -0.23 -0.07 -0.60 1.20 0.00 0.00 173.24 173.48 2tbd s ARG 58 N -2.03 3.38 0.39 5.44 3.52 -0.90 -1.20 118.95 127.55 2tbd s ARG 58 Ca -0.05 -0.64 0.07 0.00 -0.13 0.00 0.00 55.73 54.98 2tbd s ARG 58 Cb -0.07 -2.88 -0.08 0.00 -1.56 0.00 0.00 34.95 30.36 2tbd s ARG 58 CO -0.00 -0.06 0.01 -1.01 -0.81 0.00 0.00 175.30 173.43 2tbd s HIS 59 N 1.11 2.43 -0.03 5.12 3.76 -0.83 -1.71 115.29 125.12 2tbd s HIS 59 Ca 0.01 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2tbd s HIS 59 Cb -0.15 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 2tbd s HIS 59 CO -0.01 0.39 0.00 -0.80 -0.85 0.00 0.00 174.74 173.47 2tbd s ASN 60 N -3.67 5.17 0.00 1.40 -0.87 -0.93 -1.86 114.94 114.17 2tbd s ASN 60 Ca 0.35 0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.69 2tbd s ASN 60 Cb 0.10 -1.39 0.00 0.00 -0.02 0.00 0.00 41.25 39.93 2tbd s ASN 60 CO 0.18 0.32 0.00 -1.54 -2.57 0.00 0.00 177.10 173.48 2tbd n SER 61 N 1.68 0.00 -0.05 -1.22 3.41 -0.69 -1.66 113.62 115.09 2tbd n SER 61 Ca -0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.36 2tbd n SER 61 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.65 7.33 4.02 -1.26 -4.63 117.16 120.97 2tbd n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2tbd n TYR 62 Cb 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2tbd n ASN 63 N -3.15 0.00 -0.74 7.72 3.02 -1.26 -5.12 115.26 115.74 2tbd n ASN 63 Ca -0.18 -1.33 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 2tbd n ASN 63 Cb 0.65 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 0.00 -0.45 -4.06 3.10 8.25 -1.26 -4.72 115.22 116.08 2tbd n HIS 64 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2tbd n HIS 64 Cb 0.57 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.31 0.78 -0.22 0.41 0.01 -0.83 -1.70 114.94 113.08 2tbd s ASN 65 Ca 0.00 -0.50 -0.05 0.00 -0.71 0.00 0.00 52.86 51.60 2tbd s ASN 65 Cb 0.00 0.03 -0.02 0.00 0.41 0.00 0.00 41.25 41.67 2tbd s ASN 65 CO 0.00 -0.18 0.00 -0.63 -1.51 0.00 0.00 177.10 174.78 2tbd s ILE 66 N -1.26 3.84 -0.40 0.60 1.09 -0.78 -2.12 121.20 122.17 2tbd s ILE 66 Ca -0.09 -0.34 -0.10 0.00 -1.10 0.00 0.00 60.65 59.02 2tbd s ILE 66 Cb -0.09 -2.76 0.06 0.00 -1.06 0.00 0.00 42.46 38.61 2tbd s ILE 66 CO 0.00 0.40 0.24 -0.22 -0.10 0.00 0.00 174.94 175.26 2tbd s LEU 67 N 1.35 5.01 0.59 2.97 2.96 0.23 -1.97 118.68 129.81 2tbd s LEU 67 Ca 0.04 -1.35 -0.14 0.00 -0.22 0.00 0.00 54.13 52.47 2tbd s LEU 67 Cb -0.15 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 2tbd s LEU 67 CO 0.01 -0.49 1.02 -0.36 -1.32 0.00 0.00 176.35 175.20 2tbd s PHE 68 N 1.46 3.43 -0.30 5.38 0.08 -0.34 -1.63 117.98 126.06 2tbd s PHE 68 Ca 0.02 1.40 -0.11 0.00 0.12 0.00 0.00 56.93 58.36 2tbd s PHE 68 Cb -0.22 -2.80 0.18 0.00 -0.57 0.00 0.00 43.02 39.61 2tbd s PHE 68 CO 0.03 -0.69 0.97 -0.59 -0.10 0.00 0.00 175.22 174.85 2tbd s PHE 69 N -2.88 -0.72 0.21 0.36 -0.71 -0.89 -2.13 117.98 111.23 2tbd s PHE 69 Ca 0.58 0.75 -0.02 0.00 -1.04 0.00 0.00 56.93 57.19 2tbd s PHE 69 Cb -0.12 0.25 0.05 0.00 -1.21 0.00 0.00 43.02 41.99 2tbd s PHE 69 CO 0.44 -0.39 0.28 1.28 -1.34 0.00 0.00 175.22 175.48 2tbd n LEU 70 N 5.46 0.00 -3.51 -1.99 4.77 -0.83 -2.68 117.00 118.22 2tbd n LEU 70 Ca -0.05 -0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 55.36 2tbd n LEU 70 Cb 0.53 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2tbd n LEU 70 CO -0.08 -0.68 0.42 0.42 -1.33 0.00 0.00 177.39 176.14 2tbd s THR 71 N -1.24 0.00 0.00 -5.08 -4.23 0.11 -3.72 115.64 101.49 2tbd s THR 71 Ca 0.17 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2tbd s THR 71 Cb -0.01 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2tbd s THR 71 CO 0.12 -0.01 0.03 -0.81 -0.54 0.00 0.00 174.62 173.41 2tbd n PRO 72 N 0.69 0.00 -1.59 3.99 -0.04 -1.25 -4.55 135.00 132.25 2tbd n PRO 72 Ca -0.19 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.12 2tbd n PRO 72 Cb 0.58 -0.58 -0.06 0.00 -0.04 0.00 0.00 33.50 33.41 2tbd n PRO 72 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2tbd s HIS 73 N -0.16 1.14 0.41 0.54 -3.43 -1.26 -4.87 115.29 107.66 2tbd s HIS 73 Ca 0.00 1.83 -0.21 0.00 -0.80 0.00 0.00 55.06 55.88 2tbd s HIS 73 Cb 0.00 -3.50 -0.15 0.00 -1.43 0.00 0.00 32.58 27.50 2tbd s HIS 73 CO 0.00 -1.84 0.09 2.89 -2.00 0.00 0.00 174.74 173.88 2tbd n ARG 74 N 8.88 0.03 0.00 -0.38 1.85 -1.26 -4.98 116.66 120.79 2tbd n ARG 74 Ca 0.44 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 57.30 2tbd n ARG 74 Cb 0.47 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 2tbd n ARG 74 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2tbd n HIS 75 N -1.06 0.00 -4.70 2.89 -0.00 -0.66 -4.94 115.22 106.75 2tbd n HIS 75 Ca 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.57 2tbd n HIS 75 Cb 0.41 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.23 2tbd n HIS 75 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 2tbd s ARG 76 N 1.42 1.86 0.61 -0.41 6.06 -1.26 -0.83 118.95 126.40 2tbd s ARG 76 Ca 0.00 -0.50 0.25 0.00 -2.50 0.00 0.00 55.73 52.98 2tbd s ARG 76 Cb 0.00 -1.53 1.04 0.00 0.06 0.00 0.00 34.95 34.52 2tbd s ARG 76 CO 0.00 0.08 1.47 0.28 -2.50 0.00 0.00 175.30 174.64 2tbd h VAL 77 N 5.80 0.10 0.01 7.11 2.07 -1.84 0.52 116.25 130.02 2tbd h VAL 77 Ca -0.30 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2tbd h VAL 77 Cb 1.19 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2tbd h VAL 77 CO 0.47 0.00 -0.01 -1.28 0.02 0.00 0.00 177.57 176.78 2tbd h SER 78 N 0.00 -0.01 0.49 0.57 0.87 -1.75 0.11 113.55 113.83 2tbd h SER 78 Ca 0.35 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2tbd h SER 78 Cb 2.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.24 2tbd h SER 78 CO -0.00 0.41 -0.24 0.00 -0.53 0.00 0.00 176.83 176.47 2tbd h ALA 79 N 0.54 -0.66 -0.37 6.23 0.00 -0.36 -0.46 119.26 124.17 2tbd h ALA 79 Ca -0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.82 2tbd h ALA 79 Cb 0.43 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2tbd h ALA 79 CO 0.00 -0.78 0.27 0.82 0.00 0.00 0.00 179.25 179.56 2tbd h ILE 80 N -0.85 0.84 -0.26 0.00 1.08 -1.50 0.26 117.51 117.08 2tbd h ILE 80 Ca -0.07 -0.02 -0.12 0.00 -0.39 0.00 0.00 64.86 64.26 2tbd h ILE 80 Cb 0.58 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2tbd h ILE 80 CO 0.11 0.01 -0.34 -1.13 -0.69 0.00 0.00 178.15 176.11 2tbd h ASN 81 N 0.05 0.58 0.08 1.72 -1.24 -0.24 -1.64 115.58 114.90 2tbd h ASN 81 Ca 0.18 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 2tbd h ASN 81 Cb 0.64 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 2tbd h ASN 81 CO -0.01 0.88 -0.00 -1.13 -1.29 0.00 0.00 177.43 175.88 2tbd h ASN 82 N 0.47 0.00 0.00 1.15 -0.73 0.12 0.10 115.58 116.70 2tbd h ASN 82 Ca 0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2tbd h ASN 82 Cb 0.82 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.41 2tbd h ASN 82 CO 0.07 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.13 2tbd n TYR 83 N -3.21 0.00 -0.22 0.67 9.36 -0.67 -2.88 117.16 120.21 2tbd n TYR 83 Ca -0.03 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.22 2tbd n TYR 83 Cb 0.09 -0.13 0.14 0.00 -0.63 0.00 0.00 39.34 38.81 2tbd n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2tbd h ALA 84 N -2.00 0.77 -0.01 2.98 0.00 -1.48 0.31 119.26 119.83 2tbd h ALA 84 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2tbd h ALA 84 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2tbd h ALA 84 CO 0.00 -0.36 -0.29 0.37 0.00 0.00 0.00 179.25 178.97 2tbd h GLN 85 N 0.19 0.02 0.00 0.00 -0.00 -1.00 -1.21 115.11 113.12 2tbd h GLN 85 Ca 0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 2tbd h GLN 85 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.08 2tbd h GLN 85 CO -0.52 0.30 0.00 -0.22 0.00 0.00 0.00 178.83 178.40 2tbd h LYS 86 N 0.02 0.00 -1.35 1.69 3.64 -0.26 -2.34 116.57 117.97 2tbd h LYS 86 Ca 0.00 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.00 2tbd h LYS 86 Cb 0.52 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.17 2tbd h LYS 86 CO 0.04 0.00 0.49 1.28 -2.27 0.00 0.00 179.45 178.98 2tbd n LEU 87 N -2.46 6.45 -1.13 5.20 4.77 -0.46 -4.16 117.00 125.21 2tbd n LEU 87 Ca 0.00 -3.36 0.10 0.00 -0.03 0.00 0.00 56.01 52.72 2tbd n LEU 87 Cb 0.16 -0.98 0.27 0.00 -2.33 0.00 0.00 43.42 40.53 2tbd n LEU 87 CO 0.18 1.20 0.73 0.00 -1.33 0.00 0.00 177.39 178.16 2tbd n THR 89 N 1.28 1.20 -3.56 0.00 -2.24 -1.26 -4.74 114.28 104.95 2tbd n THR 89 Ca 0.20 -0.62 -0.01 0.00 -2.27 0.00 0.00 64.05 61.35 2tbd n THR 89 Cb 0.56 -0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 2tbd n THR 89 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2tbd s PHE 90 N -1.78 -0.84 0.33 4.78 -0.12 -1.26 -5.13 117.98 113.96 2tbd s PHE 90 Ca 0.24 1.54 0.00 0.00 -0.05 0.00 0.00 56.93 58.66 2tbd s PHE 90 Cb 0.18 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 43.07 2tbd s PHE 90 CO 0.08 -0.41 0.00 0.43 -0.05 0.00 0.00 175.22 175.26 2tbd n SER 91 N 4.58 -7.39 -4.93 1.98 7.64 -1.26 -4.79 113.62 109.46 2tbd n SER 91 Ca -0.14 0.62 -0.25 0.00 1.01 0.00 0.00 58.87 60.10 2tbd n SER 91 Cb 0.54 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 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 -2.43 3.44 -0.12 1.43 -0.12 -1.26 -4.83 117.98 114.09 2tbd s PHE 92 Ca 0.00 0.55 -0.07 0.00 -0.05 0.00 0.00 56.93 57.36 2tbd s PHE 92 Cb 0.00 -2.25 0.04 0.00 -0.63 0.00 0.00 43.02 40.18 2tbd s PHE 92 CO 0.00 -0.26 0.29 -1.17 -0.05 0.00 0.00 175.22 174.02 2tbd s LEU 93 N -4.63 0.45 -0.49 -1.99 0.20 -1.26 -4.19 118.68 106.77 2tbd s LEU 93 Ca 0.46 0.61 0.03 0.00 0.69 0.00 0.00 54.13 55.92 2tbd s LEU 93 Cb -0.10 0.91 0.16 0.00 -0.43 0.00 0.00 46.19 46.73 2tbd s LEU 93 CO 0.41 -0.15 0.35 -0.63 -0.29 0.00 0.00 176.35 176.03 2tbd s ILE 94 N 1.00 1.31 0.09 6.68 1.01 -0.70 -5.01 121.20 125.58 2tbd s ILE 94 Ca -0.07 -3.00 -0.22 0.00 0.00 0.00 0.00 60.65 57.36 2tbd s ILE 94 Cb -0.08 -1.89 -0.07 0.00 0.01 0.00 0.00 42.46 40.43 2tbd s ILE 94 CO -0.07 -1.06 0.67 0.00 0.00 0.00 0.00 174.94 174.47 2tbd s LYS 96 N -0.88 0.59 1.01 0.00 1.02 -0.94 -4.95 119.74 115.60 2tbd s LYS 96 Ca 0.33 0.08 -0.17 0.00 0.02 0.00 0.00 55.97 56.22 2tbd s LYS 96 Cb -0.21 0.27 0.25 0.00 -0.52 0.00 0.00 37.83 37.62 2tbd s LYS 96 CO 0.22 -0.14 1.06 0.41 -0.92 0.00 0.00 175.35 175.98 2tbd n GLY 97 N 1.85 -2.24 3.38 -3.33 0.00 -1.26 -0.70 105.19 102.90 2tbd n GLY 97 Ca -0.18 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.10 0.03 -0.18 1.61 1.01 -0.70 -3.90 120.40 115.16 2tbd s VAL 98 Ca 0.65 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.46 2tbd s VAL 98 Cb -0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 36.38 35.33 2tbd s VAL 98 CO 0.48 -0.14 0.26 0.59 0.00 0.00 0.00 175.10 176.29 2tbd n ASN 99 N 0.74 1.82 -3.22 3.32 4.13 -1.26 -4.61 115.26 116.18 2tbd n ASN 99 Ca -0.19 -0.33 -0.24 0.00 1.68 0.00 0.00 54.58 55.50 2tbd n ASN 99 Cb 0.58 1.20 -0.07 0.00 -1.54 0.00 0.00 39.78 39.95 2tbd n ASN 99 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2tbd n LYS 100 N -1.50 0.58 0.07 3.52 4.81 -1.26 -4.99 118.16 119.39 2tbd n LYS 100 Ca -0.00 -3.15 -0.13 0.00 -0.87 0.00 0.00 58.31 54.15 2tbd n LYS 100 Cb 0.17 -1.33 -0.07 0.00 0.02 0.00 0.00 35.03 33.83 2tbd n LYS 100 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2tbd h GLU 101 N 4.40 -0.55 -0.99 1.64 4.81 -1.94 -1.10 114.58 120.85 2tbd h GLU 101 Ca 0.11 0.04 0.32 0.00 -0.13 0.00 0.00 59.36 59.70 2tbd h GLU 101 Cb 0.89 0.13 -0.18 0.00 0.63 0.00 0.00 28.75 30.22 2tbd h GLU 101 CO 0.43 -0.37 0.23 -0.92 -0.73 0.00 0.00 179.01 177.66 2tbd h TYR 102 N -0.57 0.31 -0.22 0.92 5.03 -1.92 0.72 116.97 121.23 2tbd h TYR 102 Ca 0.04 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 2tbd h TYR 102 Cb 0.64 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 2tbd h TYR 102 CO -0.40 -0.43 0.08 1.25 -1.32 0.00 0.00 178.16 177.34 2tbd h LEU 103 N 0.02 0.32 0.17 2.82 7.12 -1.63 -0.86 115.31 123.26 2tbd h LEU 103 Ca 0.69 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 58.50 2tbd h LEU 103 Cb 1.60 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.65 2tbd h LEU 103 CO -0.85 0.42 -0.08 -0.03 -0.13 0.00 0.00 178.44 177.77 2tbd h MET 104 N 0.19 -0.22 -1.16 1.25 4.05 0.83 -1.54 114.93 118.34 2tbd h MET 104 Ca 0.07 0.01 0.37 0.00 -0.28 0.00 0.00 59.70 59.88 2tbd h MET 104 Cb 0.21 0.05 -0.13 0.00 -0.80 0.00 0.00 31.60 30.93 2tbd h MET 104 CO -0.00 -0.14 0.72 -0.92 0.23 0.00 0.00 176.91 176.79 2tbd h TYR 105 N -0.23 0.68 0.15 1.39 5.03 -1.13 0.38 116.97 123.25 2tbd h TYR 105 Ca -0.02 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2tbd h TYR 105 Cb 0.17 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.28 2tbd h TYR 105 CO 0.19 -0.17 -0.07 0.77 -1.32 0.00 0.00 178.16 177.56 2tbd h SER 106 N 0.20 -0.17 0.23 -2.11 0.02 -0.84 0.85 113.55 111.73 2tbd h SER 106 Ca 0.76 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.62 2tbd h SER 106 Cb 2.11 0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.69 2tbd h SER 106 CO -0.47 -0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.20 2tbd h ALA 107 N 0.52 1.00 0.00 3.77 0.00 0.73 -0.13 119.26 125.14 2tbd h ALA 107 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2tbd h ALA 107 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2tbd h ALA 107 CO 0.03 0.00 -1.23 1.28 0.00 0.00 0.00 179.25 179.34 2tbd n LEU 108 N -2.36 0.85 0.08 0.00 4.77 -0.27 -3.91 117.00 116.15 2tbd n LEU 108 Ca -0.01 0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 56.28 2tbd n LEU 108 Cb 0.10 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 2tbd n LEU 108 CO 0.14 -0.01 0.21 0.71 -1.33 0.00 0.00 177.39 177.11 2tbd h THR 109 N 0.00 1.54 -3.36 -5.08 1.35 0.10 -3.29 112.91 104.18 2tbd h THR 109 Ca -0.09 -3.17 -0.56 0.00 -0.55 0.00 0.00 66.41 62.04 2tbd h THR 109 Cb 1.31 2.75 -0.06 0.00 -1.73 0.00 0.00 68.15 70.43 2tbd h THR 109 CO 0.02 0.88 0.22 -0.60 -0.25 0.00 0.00 175.52 175.79 2tbd s ARG 110 N -2.77 4.40 0.85 4.72 6.06 -1.01 -4.77 118.95 126.42 2tbd s ARG 110 Ca 0.02 0.99 -0.17 0.00 -2.50 0.00 0.00 55.73 54.06 2tbd s ARG 110 Cb 0.10 -3.49 -0.13 0.00 0.06 0.00 0.00 34.95 31.48 2tbd s ARG 110 CO 0.80 -0.08 -0.46 -0.40 -2.50 0.00 0.00 175.30 172.66 2tbd n ASP 111 N 4.29 -4.84 -0.11 -2.12 5.75 -1.26 -2.19 116.55 116.07 2tbd n ASP 111 Ca 0.01 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 2tbd n ASP 111 Cb 0.50 -0.84 0.01 0.00 -1.03 0.00 0.00 41.12 39.76 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 1.74 1.04 -2.61 0.11 -0.04 -1.26 -5.03 135.00 128.94 2tbd n PRO 112 Ca 0.02 -0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2tbd n PRO 112 Cb 0.53 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.83 2.83 0.79 0.54 0.08 -0.93 -4.69 117.98 114.77 2tbd s PHE 113 Ca 0.01 0.71 -0.03 0.00 0.12 0.00 0.00 56.93 57.73 2tbd s PHE 113 Cb 0.01 -4.40 0.16 0.00 -0.57 0.00 0.00 43.02 38.21 2tbd s PHE 113 CO 0.01 -1.25 1.08 -1.12 -0.10 0.00 0.00 175.22 173.83 2tbd s SER 114 N 2.43 3.99 -0.13 1.36 0.01 -0.66 -4.00 113.70 116.69 2tbd s SER 114 Ca 0.47 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.41 2tbd s SER 114 Cb -0.07 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.27 2tbd s SER 114 CO 0.31 -2.12 -0.16 -0.69 0.41 0.00 0.00 173.24 170.99 2tbd s VAL 115 N -3.32 1.66 -0.01 3.43 1.01 -1.26 -2.20 120.40 119.71 2tbd s VAL 115 Ca 0.69 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2tbd s VAL 115 Cb -0.04 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2tbd s VAL 115 CO 0.47 0.47 -0.01 0.40 0.00 0.00 0.00 175.10 176.43 2tbd h ILE 116 N 5.97 0.00 -3.77 2.22 2.04 -1.66 -3.47 117.51 118.83 2tbd h ILE 116 Ca -0.35 -0.08 -0.27 0.00 1.00 0.00 0.00 64.86 65.17 2tbd h ILE 116 Cb 1.16 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 2tbd h ILE 116 CO 0.52 0.00 -0.19 -0.62 0.00 0.00 0.00 178.15 177.86 2tbd n GLU 117 N -2.39 0.48 -3.87 2.37 1.02 -1.05 -5.01 120.64 112.18 2tbd n GLU 117 Ca -0.00 -2.31 0.03 0.00 -0.02 0.00 0.00 57.16 54.85 2tbd n GLU 117 Cb 0.02 2.11 0.01 0.00 -0.02 0.00 0.00 31.44 33.56 2tbd n GLU 117 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2tbd s GLU 118 N -2.75 0.34 -0.06 3.49 -1.05 -1.26 -2.12 118.70 115.29 2tbd s GLU 118 Ca 0.25 -0.21 0.11 0.00 -0.15 0.00 0.00 54.97 54.97 2tbd s GLU 118 Cb -0.00 0.10 -0.17 0.00 -0.44 0.00 0.00 34.13 33.62 2tbd s GLU 118 CO 0.18 -0.16 0.17 0.45 0.95 0.00 0.00 175.26 176.85 2tbd n SER 119 N -0.88 2.18 -4.83 0.83 2.88 -1.01 -4.96 113.62 107.83 2tbd n SER 119 Ca -0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2tbd n SER 119 Cb 0.60 1.22 -0.05 0.00 -0.75 0.00 0.00 64.21 65.23 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 -4.29 3.76 -1.25 2.46 1.43 -1.26 -4.93 118.68 114.59 2tbd s LEU 120 Ca -0.05 1.64 -0.19 0.00 -1.03 0.00 0.00 54.13 54.50 2tbd s LEU 120 Cb 0.06 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.76 2tbd s LEU 120 CO 0.49 -0.52 1.88 -0.81 0.23 0.00 0.00 176.35 177.62 2tbd n PRO 121 N -1.19 2.61 0.00 1.29 -0.04 -1.26 -2.90 135.00 133.51 2tbd n PRO 121 Ca 0.07 -2.86 0.00 0.00 -0.04 0.00 0.00 63.50 60.67 2tbd n PRO 121 Cb 0.54 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 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 5.22 0.83 2.37 0.55 0.00 -1.26 -4.98 105.19 107.91 2tbd n GLY 122 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.38 -2.12 2.49 -0.02 0.00 -1.14 -4.96 105.19 98.06 2tbd n GLY 123 Ca 0.00 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 -4.28 0.99 4.32 -1.26 -4.82 117.00 111.95 2tbd n LEU 124 Ca 0.00 -0.37 -0.18 0.00 -0.02 0.00 0.00 56.01 55.45 2tbd n LEU 124 Cb 0.00 -0.63 -0.09 0.00 -1.62 0.00 0.00 43.42 41.09 2tbd n LEU 124 CO 0.00 -2.24 -0.15 -0.54 -1.22 0.00 0.00 177.39 173.24 2tbd s LYS 125 N -3.19 1.62 0.00 3.23 3.01 -1.25 -5.02 119.74 118.14 2tbd s LYS 125 Ca 0.28 -1.93 0.00 0.00 -1.01 0.00 0.00 55.97 53.31 2tbd s LYS 125 Cb -0.05 0.24 0.00 0.00 -1.01 0.00 0.00 37.83 37.01 2tbd s LYS 125 CO 0.23 -0.57 0.26 0.39 0.51 0.00 0.00 175.35 176.18 2tbd n GLU 126 N -0.55 0.00 0.00 1.68 1.02 -1.26 -4.27 120.64 117.26 2tbd n GLU 126 Ca 0.05 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 2tbd n GLU 126 Cb 0.63 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 2tbd n GLU 126 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2tbd n HIS 127 N -1.16 -0.41 0.00 -0.32 1.44 -1.26 -5.02 115.22 108.49 2tbd n HIS 127 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2tbd n HIS 127 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2tbd n HIS 127 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2tbd n ASP 128 N 0.00 0.00 -3.52 4.39 5.75 -1.26 -4.95 116.55 116.96 2tbd n ASP 128 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 2tbd n ASP 128 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 2tbd n ASP 128 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2tbd s PHE 129 N 0.31 1.66 -0.22 2.11 0.08 -1.26 -3.88 117.98 116.78 2tbd s PHE 129 Ca 0.00 -1.61 -0.04 0.00 0.12 0.00 0.00 56.93 55.40 2tbd s PHE 129 Cb 0.00 -0.70 0.08 0.00 -0.57 0.00 0.00 43.02 41.83 2tbd s PHE 129 CO 0.00 -0.82 0.09 1.21 -0.10 0.00 0.00 175.22 175.60 2tbd s ASN 130 N -3.34 2.93 -0.71 1.36 3.84 -1.26 -5.09 114.94 112.67 2tbd s ASN 130 Ca 0.40 -0.93 -0.27 0.00 0.21 0.00 0.00 52.86 52.28 2tbd s ASN 130 Cb 0.03 -0.38 0.01 0.00 -0.55 0.00 0.00 41.25 40.37 2tbd s ASN 130 CO 0.25 -0.37 1.47 -2.16 -2.79 0.00 0.00 177.10 173.49 2tbd s PRO 131 N 2.04 3.02 0.53 0.43 0.04 -1.26 -4.95 135.00 134.85 2tbd s PRO 131 Ca 0.04 -0.00 -0.09 0.00 0.04 0.00 0.00 61.00 60.99 2tbd s PRO 131 Cb -0.16 -4.28 0.13 0.00 0.04 0.00 0.00 34.50 30.22 2tbd s PRO 131 CO -0.19 -2.35 0.60 -1.91 0.04 0.00 0.00 177.00 173.20 2tbd n GLU 132 N 9.30 -1.22 -3.54 4.56 2.13 -1.26 -5.07 120.64 125.54 2tbd n GLU 132 Ca 0.09 -0.94 0.00 0.00 0.66 0.00 0.00 57.16 56.98 2tbd n GLU 132 Cb 0.50 -0.72 -0.04 0.00 0.27 0.00 0.00 31.44 31.45 2tbd n GLU 132 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2tbd s SER 133 N -3.20 -1.10 0.00 4.31 0.01 -1.26 -5.03 113.70 107.43 2tbd s SER 133 Ca 0.36 1.37 0.13 0.00 1.31 0.00 0.00 55.95 59.11 2tbd s SER 133 Cb -0.02 2.20 0.10 0.00 0.21 0.00 0.00 66.02 68.51 2tbd s SER 133 CO 0.26 -0.21 0.91 -1.54 0.41 0.00 0.00 173.24 173.07