#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 2.28 -4.53 1.61 3.41 -1.26 -5.03 113.62 110.11 2tbd n SER 2 Ca 0.00 -3.40 -0.25 0.00 -0.26 0.00 0.00 58.87 54.96 2tbd n SER 2 Cb 0.00 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.36 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 -3.02 1.78 -0.31 4.33 1.02 -1.26 -5.05 119.74 117.22 2tbd s LYS 3 Ca 0.36 -1.92 -0.43 0.00 0.02 0.00 0.00 55.97 53.99 2tbd s LYS 3 Cb 0.32 -1.57 -0.19 0.00 -0.52 0.00 0.00 37.83 35.87 2tbd s LYS 3 CO -0.00 0.10 1.53 1.55 -0.92 0.00 0.00 175.35 177.61 2tbd n VAL 4 N -0.77 0.08 0.00 3.17 3.14 -1.26 -4.89 118.33 117.81 2tbd n VAL 4 Ca -0.05 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2tbd n VAL 4 Cb 0.64 -0.63 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 3.83 0.00 -3.35 1.45 2.13 -1.26 -5.01 120.64 118.43 2tbd n GLU 5 Ca 0.27 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.73 2tbd n GLU 5 Cb 0.03 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.69 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 -0.91 6.86 -0.03 4.31 1.11 -1.26 -5.04 116.67 121.71 2tbd s ASP 6 Ca 0.00 1.10 -0.30 0.00 0.18 0.00 0.00 52.55 53.53 2tbd s ASP 6 Cb 0.00 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.66 2tbd s ASP 6 CO 0.00 0.14 1.08 -2.16 1.18 0.00 0.00 175.17 175.41 2tbd s PRO 7 N -1.77 4.45 0.01 8.23 0.04 -1.26 -4.92 135.00 139.78 2tbd s PRO 7 Ca 0.36 1.53 0.28 0.00 0.04 0.00 0.00 61.00 63.21 2tbd s PRO 7 Cb -0.16 -3.49 1.18 0.00 0.04 0.00 0.00 34.50 32.07 2tbd s PRO 7 CO 0.19 -0.26 1.89 0.36 0.04 0.00 0.00 177.00 179.22 2tbd n LYS 8 N 4.54 0.01 -3.62 4.56 0.00 -1.26 -4.92 118.16 117.47 2tbd n LYS 8 Ca 0.08 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2tbd n LYS 8 Cb 0.48 -1.51 0.00 0.00 -0.00 0.00 0.00 35.03 34.00 2tbd n LYS 8 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2tbd n ASP 9 N -1.54 0.00 -4.71 -5.58 -0.08 -1.26 -5.09 116.55 98.30 2tbd n ASP 9 Ca 0.07 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.01 2tbd n ASP 9 Cb 0.33 0.00 0.11 0.00 2.34 0.00 0.00 41.12 43.90 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2tbd s PHE 10 N -2.50 1.91 0.10 -0.67 0.40 -1.26 -4.95 117.98 111.01 2tbd s PHE 10 Ca 0.00 1.63 -0.30 0.00 -0.60 0.00 0.00 56.93 57.66 2tbd s PHE 10 Cb 0.00 -3.49 -0.06 0.00 0.51 0.00 0.00 43.02 39.98 2tbd s PHE 10 CO 0.00 -2.78 1.02 -1.25 0.70 0.00 0.00 175.22 172.91 2tbd s PRO 11 N -4.02 4.63 0.59 0.24 0.04 -1.26 -4.90 135.00 130.33 2tbd s PRO 11 Ca 0.74 1.54 0.30 0.00 0.04 0.00 0.00 61.00 63.62 2tbd s PRO 11 Cb -0.29 -3.36 1.24 0.00 0.04 0.00 0.00 34.50 32.12 2tbd s PRO 11 CO 0.48 0.09 1.57 1.03 0.04 0.00 0.00 177.00 180.22 2tbd h SER 12 N 5.79 0.00 -0.01 6.66 0.87 -1.96 0.81 113.55 125.71 2tbd h SER 12 Ca -0.43 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.16 2tbd h SER 12 Cb 1.21 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.13 2tbd h SER 12 CO 0.73 0.00 -0.21 -0.08 -0.53 0.00 0.00 176.83 176.74 2tbd h GLU 13 N 0.00 -0.32 -0.00 2.24 4.81 -2.02 -1.40 114.58 117.89 2tbd h GLU 13 Ca 0.43 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2tbd h GLU 13 Cb 2.33 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.78 2tbd h GLU 13 CO -0.00 -0.21 -0.17 1.28 -0.73 0.00 0.00 179.01 179.17 2tbd n LEU 14 N -5.34 0.25 0.00 1.64 4.77 0.22 -3.39 117.00 115.15 2tbd n LEU 14 Ca -0.05 0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2tbd n LEU 14 Cb 0.25 -0.35 0.69 0.00 -2.33 0.00 0.00 43.42 41.67 2tbd n LEU 14 CO 0.23 0.06 0.89 0.18 -1.33 0.00 0.00 177.39 177.41 2tbd n LEU 15 N -1.38 0.00 0.06 2.23 4.77 -0.53 -3.19 117.00 118.95 2tbd n LEU 15 Ca 0.08 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.13 2tbd n LEU 15 Cb 0.32 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.74 2tbd n LEU 15 CO 0.29 0.00 0.72 -1.20 -1.33 0.00 0.00 177.39 175.87 2tbd n SER 16 N -0.95 0.27 -2.73 -1.43 7.64 -1.18 -3.61 113.62 111.63 2tbd n SER 16 Ca 0.17 0.59 -0.08 0.00 1.01 0.00 0.00 58.87 60.56 2tbd n SER 16 Cb 0.08 -0.64 0.10 0.00 -1.01 0.00 0.00 64.21 62.74 2tbd n SER 16 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2tbd n PHE 17 N -1.82 -2.55 -3.78 1.43 1.16 -1.19 -5.12 117.46 105.58 2tbd n PHE 17 Ca 0.01 -2.11 -0.00 0.00 -1.87 0.00 0.00 57.45 53.49 2tbd n PHE 17 Cb 0.12 1.53 -0.00 0.00 -1.61 0.00 0.00 39.48 39.52 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 -0.04 0.00 -0.08 5.98 7.94 -1.24 -3.64 117.00 125.93 2tbd n LEU 18 Ca 0.03 -0.03 -0.17 0.00 -1.11 0.00 0.00 56.01 54.72 2tbd n LEU 18 Cb 0.76 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.58 2tbd n LEU 18 CO 0.00 -0.12 -1.11 -0.24 -1.11 0.00 0.00 177.39 174.82 2tbd n SER 19 N -1.45 1.67 -1.05 1.96 2.88 -1.26 -4.45 113.62 111.93 2tbd n SER 19 Ca -0.00 0.02 -0.12 0.00 -1.33 0.00 0.00 58.87 57.44 2tbd n SER 19 Cb 0.01 -0.33 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 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 -3.24 -0.19 -3.63 0.66 -0.00 -1.26 -4.97 115.22 102.58 2tbd n HIS 20 Ca -0.38 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.23 2tbd n HIS 20 Cb 1.03 -2.34 -0.07 0.00 -0.00 0.00 0.00 29.99 28.61 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 -2.49 -1.87 -0.13 -1.41 0.00 -1.26 -5.04 121.76 109.56 2tbd s ALA 21 Ca 0.00 2.09 0.16 0.00 0.00 0.00 0.00 51.96 54.21 2tbd s ALA 21 Cb 0.00 -1.32 -0.24 0.00 0.00 0.00 0.00 23.12 21.56 2tbd s ALA 21 CO 0.00 -0.33 0.35 0.28 0.00 0.00 0.00 175.76 176.07 2tbd n VAL 22 N 2.98 1.47 -2.87 0.00 0.31 -1.26 -4.46 118.33 114.50 2tbd n VAL 22 Ca -0.15 -0.83 -0.38 0.00 -0.01 0.00 0.00 64.34 62.97 2tbd n VAL 22 Cb 0.56 -0.72 -0.00 0.00 -0.91 0.00 0.00 33.84 32.77 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 -2.88 2.90 -0.28 3.52 3.01 -1.26 -2.39 117.46 120.07 2tbd n PHE 23 Ca -0.25 -2.95 0.00 0.00 1.01 0.00 0.00 57.45 55.26 2tbd n PHE 23 Cb 1.10 -1.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 2tbd n PHE 23 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2tbd n SER 24 N 0.41 -0.09 -0.02 4.37 7.64 -1.26 -5.03 113.62 119.64 2tbd n SER 24 Ca 0.37 -0.28 -0.02 0.00 1.01 0.00 0.00 58.87 59.94 2tbd n SER 24 Cb 0.32 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.49 2tbd n SER 24 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2tbd n ASN 25 N -0.99 4.19 -4.88 6.43 0.23 -1.26 -5.00 115.26 113.98 2tbd n ASN 25 Ca 0.00 -0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.75 2tbd n ASN 25 Cb 0.00 0.50 -0.01 0.00 -2.08 0.00 0.00 39.78 38.19 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2tbd s ARG 26 N -2.07 3.67 0.05 -3.83 0.52 -1.26 -5.04 118.95 110.98 2tbd s ARG 26 Ca -0.02 0.53 -0.22 0.00 -0.52 0.00 0.00 55.73 55.50 2tbd s ARG 26 Cb 0.01 -2.26 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 2tbd s ARG 26 CO 0.12 -0.27 0.64 0.95 0.02 0.00 0.00 175.30 176.75 2tbd s THR 27 N -2.76 4.76 -0.04 0.02 -4.23 -1.26 -4.67 115.64 107.46 2tbd s THR 27 Ca 0.52 1.36 0.06 0.00 -1.18 0.00 0.00 61.69 62.45 2tbd s THR 27 Cb -0.10 -3.98 -0.01 0.00 1.34 0.00 0.00 72.50 69.75 2tbd s THR 27 CO 0.42 0.46 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.98 2tbd s LEU 28 N -0.54 2.02 -0.00 4.79 1.02 -1.14 -4.90 118.68 119.92 2tbd s LEU 28 Ca 0.32 -0.44 0.17 0.00 0.02 0.00 0.00 54.13 54.20 2tbd s LEU 28 Cb -0.20 -1.20 -0.20 0.00 0.02 0.00 0.00 46.19 44.62 2tbd s LEU 28 CO 0.20 0.22 0.65 0.00 0.02 0.00 0.00 176.35 177.44 2tbd n ALA 29 N 2.90 3.89 -2.62 4.21 0.00 -1.26 -3.20 120.51 124.43 2tbd n ALA 29 Ca -0.17 -0.46 -0.38 0.00 0.00 0.00 0.00 53.44 52.43 2tbd n ALA 29 Cb 0.52 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 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 1.65 2.45 -0.53 0.00 0.40 -1.03 -1.55 117.98 119.37 2tbd s PHE 31 Ca 0.10 -1.06 -0.12 0.00 -0.60 0.00 0.00 56.93 55.26 2tbd s PHE 31 Cb -0.15 -1.66 0.13 0.00 0.51 0.00 0.00 43.02 41.86 2tbd s PHE 31 CO 0.09 -0.45 0.44 0.00 0.70 0.00 0.00 175.22 176.00 2tbd s ALA 32 N 0.51 3.55 0.04 5.36 0.00 -0.03 -2.28 121.76 128.91 2tbd s ALA 32 Ca -0.15 -2.65 -0.25 0.00 0.00 0.00 0.00 51.96 48.91 2tbd s ALA 32 Cb -0.17 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 2tbd s ALA 32 CO 0.06 -1.99 0.78 0.42 0.00 0.00 0.00 175.76 175.03 2tbd s ILE 33 N 1.26 4.73 -0.35 0.00 1.01 -0.95 -1.70 121.20 125.19 2tbd s ILE 33 Ca 0.06 1.66 0.03 0.00 0.00 0.00 0.00 60.65 62.40 2tbd s ILE 33 Cb -0.26 -4.13 0.10 0.00 0.01 0.00 0.00 42.46 38.19 2tbd s ILE 33 CO -0.00 0.35 0.09 -0.47 0.00 0.00 0.00 174.94 174.91 2tbd s TYR 34 N -0.01 3.15 0.08 3.97 5.04 -0.78 -0.28 117.35 128.52 2tbd s TYR 34 Ca 0.39 -2.70 -0.04 0.00 -2.44 0.00 0.00 57.07 52.29 2tbd s TYR 34 Cb -0.21 -2.59 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 2tbd s TYR 34 CO 0.23 -0.91 0.07 0.95 -1.34 0.00 0.00 175.55 174.56 2tbd s THR 35 N 0.94 0.18 0.96 4.34 -4.23 -1.00 -1.03 115.64 115.81 2tbd s THR 35 Ca 0.12 -1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 58.90 2tbd s THR 35 Cb -0.19 -1.51 -0.06 0.00 1.34 0.00 0.00 72.50 72.07 2tbd s THR 35 CO -0.11 -0.80 -0.22 0.35 -0.54 0.00 0.00 174.62 173.29 2tbd n THR 36 N 0.02 0.04 -0.15 3.99 -2.24 -1.26 -2.34 114.28 112.34 2tbd n THR 36 Ca -0.13 -0.36 -0.05 0.00 -2.27 0.00 0.00 64.05 61.24 2tbd n THR 36 Cb 0.62 -0.30 0.04 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.23 0.41 -0.07 -0.78 2.10 -1.86 -0.25 116.57 114.90 2tbd h LYS 37 Ca -0.44 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.21 2tbd h LYS 37 Cb 1.29 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2tbd h LYS 37 CO 0.29 0.27 0.10 1.49 -2.00 0.00 0.00 179.45 179.60 2tbd h GLU 38 N 0.42 0.00 0.00 0.07 4.81 -2.00 -1.92 114.58 115.96 2tbd h GLU 38 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2tbd h GLU 38 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2tbd h GLU 38 CO -0.17 0.00 -0.02 0.87 -0.73 0.00 0.00 179.01 178.96 2tbd h LYS 39 N 0.00 0.00 -0.97 1.92 1.79 -1.33 -3.30 116.57 114.68 2tbd h LYS 39 Ca 0.03 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.76 2tbd h LYS 39 Cb 0.23 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.82 2tbd h LYS 39 CO -0.00 0.00 0.67 0.00 -1.08 0.00 0.00 179.45 179.04 2tbd h ALA 40 N -1.36 2.56 -0.89 3.86 0.00 -1.38 0.11 119.26 122.16 2tbd h ALA 40 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2tbd h ALA 40 Cb 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2tbd h ALA 40 CO 0.00 -0.88 0.57 0.00 0.00 0.00 0.00 179.25 178.94 2tbd h ALA 41 N 1.56 1.19 0.00 0.00 0.00 -1.46 0.38 119.26 120.92 2tbd h ALA 41 Ca 0.50 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.19 2tbd h ALA 41 Cb 1.59 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2tbd h ALA 41 CO -0.12 0.40 -0.92 1.37 0.00 0.00 0.00 179.25 179.98 2tbd h LEU 42 N 1.09 0.00 0.00 0.00 8.10 -0.89 -3.14 115.31 120.47 2tbd h LEU 42 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.35 2tbd h LEU 42 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.27 2tbd h LEU 42 CO -0.13 0.90 -0.10 0.18 -4.11 0.00 0.00 178.44 175.18 2tbd n LEU 43 N -3.32 0.22 0.04 0.17 4.77 -0.73 -2.71 117.00 115.44 2tbd n LEU 43 Ca 0.00 0.42 -0.03 0.00 -0.03 0.00 0.00 56.01 56.37 2tbd n LEU 43 Cb 0.90 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2tbd n LEU 43 CO 0.46 -0.01 0.09 0.22 -1.33 0.00 0.00 177.39 176.82 2tbd h TYR 44 N 0.00 -0.20 0.00 -1.77 5.03 -0.22 -2.29 116.97 117.52 2tbd h TYR 44 Ca 0.00 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2tbd h TYR 44 Cb 0.54 0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 2tbd h TYR 44 CO 0.00 -0.12 -0.05 0.87 -1.32 0.00 0.00 178.16 177.53 2tbd h LYS 45 N -1.01 0.00 0.00 1.82 1.57 -1.68 -2.33 116.57 114.94 2tbd h LYS 45 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2tbd h LYS 45 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2tbd h LYS 45 CO 0.04 0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.60 2tbd n LYS 46 N -3.32 0.00 -0.13 3.15 4.76 -1.10 -3.54 118.16 117.98 2tbd n LYS 46 Ca -0.01 0.36 0.27 0.00 -2.87 0.00 0.00 58.31 56.05 2tbd n LYS 46 Cb 0.21 -0.95 0.59 0.00 -1.84 0.00 0.00 35.03 33.04 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 0.15 -0.96 -0.18 1.08 -1.47 -2.10 117.51 114.03 2tbd h ILE 47 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 2tbd h ILE 47 Cb 0.00 0.26 -0.13 0.00 -3.07 0.00 0.00 36.82 33.89 2tbd h ILE 47 CO 0.00 0.00 -0.52 0.23 -0.69 0.00 0.00 178.15 177.17 2tbd n MET 48 N -3.49 -0.38 -0.00 2.37 2.81 -0.88 -1.66 117.12 115.88 2tbd n MET 48 Ca 0.19 1.46 0.11 0.00 -1.81 0.00 0.00 57.70 57.65 2tbd n MET 48 Cb 1.20 -2.16 -0.14 0.00 -0.71 0.00 0.00 33.22 31.42 2tbd n MET 48 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2tbd n GLU 49 N -5.26 0.43 -0.14 0.03 4.07 -0.82 -2.42 120.64 116.53 2tbd n GLU 49 Ca 0.04 -0.12 -0.01 0.00 -0.06 0.00 0.00 57.16 57.01 2tbd n GLU 49 Cb 0.28 -1.53 0.25 0.00 -0.06 0.00 0.00 31.44 30.38 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 0.84 0.00 5.31 3.64 -0.99 -3.28 116.57 122.09 2tbd h LYS 50 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2tbd h LYS 50 Cb 0.83 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2tbd h LYS 50 CO 0.00 0.65 -0.24 0.66 -2.27 0.00 0.00 179.45 178.25 2tbd n TYR 51 N -4.36 0.00 -4.09 1.91 4.01 -0.67 -5.00 117.16 108.97 2tbd n TYR 51 Ca 0.05 -0.15 -0.28 0.00 -0.16 0.00 0.00 57.90 57.36 2tbd n TYR 51 Cb 0.13 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2tbd n SER 52 N -0.21 -0.09 -2.30 7.72 7.64 -1.02 -3.92 113.62 121.44 2tbd n SER 52 Ca 0.02 -1.09 -0.29 0.00 1.01 0.00 0.00 58.87 58.51 2tbd n SER 52 Cb 0.59 -2.57 -0.04 0.00 -1.01 0.00 0.00 64.21 61.18 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 -4.45 0.16 1.64 0.44 0.24 -1.20 -4.40 118.33 110.74 2tbd n VAL 53 Ca -0.29 -0.04 0.15 0.00 -2.04 0.00 0.00 64.34 62.12 2tbd n VAL 53 Cb 0.68 0.00 0.82 0.00 -1.47 0.00 0.00 33.84 33.87 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 0.65 0.00 0.00 3.34 -1.04 -0.79 -4.66 114.28 111.78 2tbd n THR 54 Ca 0.10 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2tbd n THR 54 Cb 0.05 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 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 -1.15 0.00 -3.77 -1.42 7.35 -1.26 -4.84 117.46 112.37 2tbd n PHE 55 Ca 0.18 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.51 2tbd n PHE 55 Cb 0.20 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.91 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 0.00 3.33 0.14 -2.13 2.07 -1.25 -1.80 121.20 121.56 2tbd s ILE 56 Ca 0.00 -2.28 0.06 0.00 -1.41 0.00 0.00 60.65 57.02 2tbd s ILE 56 Cb 0.00 -3.27 -0.04 0.00 0.13 0.00 0.00 42.46 39.29 2tbd s ILE 56 CO 0.00 -0.73 0.05 -0.55 -1.91 0.00 0.00 174.94 171.80 2tbd s SER 57 N 1.53 5.14 -0.25 4.50 0.15 0.19 -2.95 113.70 121.99 2tbd s SER 57 Ca 0.10 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.52 2tbd s SER 57 Cb -0.22 -1.24 0.03 0.00 -1.71 0.00 0.00 66.02 62.88 2tbd s SER 57 CO -0.04 0.12 -0.07 -0.60 1.20 0.00 0.00 173.24 173.85 2tbd s ARG 58 N -2.76 2.72 0.35 5.44 3.52 -0.40 -1.03 118.95 126.79 2tbd s ARG 58 Ca 0.28 -1.05 0.08 0.00 -0.13 0.00 0.00 55.73 54.91 2tbd s ARG 58 Cb -0.10 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.26 2tbd s ARG 58 CO 0.20 -0.44 0.10 -1.01 -0.81 0.00 0.00 175.30 173.34 2tbd s HIS 59 N 1.29 2.64 -0.14 5.12 3.76 -1.08 -0.80 115.29 126.08 2tbd s HIS 59 Ca -0.01 -0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 54.43 2tbd s HIS 59 Cb -0.17 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 2tbd s HIS 59 CO -0.04 0.37 -0.00 -0.80 -0.85 0.00 0.00 174.74 173.41 2tbd s ASN 60 N -3.81 5.14 0.00 1.40 0.02 -0.73 -1.45 114.94 115.51 2tbd s ASN 60 Ca 0.37 0.02 0.00 0.00 -1.02 0.00 0.00 52.86 52.23 2tbd s ASN 60 Cb -0.01 -1.71 0.00 0.00 0.02 0.00 0.00 41.25 39.55 2tbd s ASN 60 CO 0.22 0.25 0.00 -1.54 0.02 0.00 0.00 177.10 176.04 2tbd n SER 61 N 3.02 0.00 -0.01 -1.22 3.41 -0.94 -2.06 113.62 115.82 2tbd n SER 61 Ca -0.18 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.39 2tbd n SER 61 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.48 7.33 4.01 -1.26 -4.81 117.16 121.94 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 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 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 -3.61 0.75 0.00 7.72 3.02 -1.26 -5.09 115.26 116.79 2tbd n ASN 63 Ca -0.08 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 2tbd n ASN 63 Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.12 0.00 -4.17 3.10 8.25 -1.26 -4.76 115.22 116.25 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 0.23 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.24 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 1.31 1.33 -0.40 0.41 0.01 -0.99 -2.22 114.94 114.38 2tbd s ASN 65 Ca 0.00 -0.89 -0.07 0.00 -0.71 0.00 0.00 52.86 51.20 2tbd s ASN 65 Cb 0.00 0.04 0.09 0.00 0.41 0.00 0.00 41.25 41.78 2tbd s ASN 65 CO 0.00 -0.34 0.22 -0.63 -1.51 0.00 0.00 177.10 174.84 2tbd s ILE 66 N -2.90 3.85 -1.05 0.60 1.09 -0.53 -2.37 121.20 119.89 2tbd s ILE 66 Ca 0.08 -1.58 -0.22 0.00 -1.10 0.00 0.00 60.65 57.83 2tbd s ILE 66 Cb 0.00 -3.41 0.05 0.00 -1.06 0.00 0.00 42.46 38.04 2tbd s ILE 66 CO -0.02 -0.52 1.49 -0.22 -0.10 0.00 0.00 174.94 175.58 2tbd s LEU 67 N 1.33 3.54 -0.51 2.97 2.96 0.62 -2.63 118.68 126.95 2tbd s LEU 67 Ca 0.03 -1.56 -0.29 0.00 -0.22 0.00 0.00 54.13 52.09 2tbd s LEU 67 Cb -0.23 -2.57 0.03 0.00 0.50 0.00 0.00 46.19 43.92 2tbd s LEU 67 CO -0.00 -1.49 1.22 0.12 -1.32 0.00 0.00 176.35 174.89 2tbd s PHE 68 N 4.96 2.64 -0.11 5.38 5.36 -0.20 -2.24 117.98 133.77 2tbd s PHE 68 Ca 0.47 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 2tbd s PHE 68 Cb 0.00 -4.44 0.02 0.00 -0.34 0.00 0.00 43.02 38.26 2tbd s PHE 68 CO -0.08 -1.54 -0.09 -0.59 -1.46 0.00 0.00 175.22 171.46 2tbd s PHE 69 N 4.92 1.52 0.71 10.12 -0.71 -0.97 -0.64 117.98 132.94 2tbd s PHE 69 Ca 0.49 -0.74 -0.04 0.00 -1.04 0.00 0.00 56.93 55.60 2tbd s PHE 69 Cb -0.08 -1.23 0.09 0.00 -1.21 0.00 0.00 43.02 40.59 2tbd s PHE 69 CO 0.30 -0.48 1.00 -1.17 -1.34 0.00 0.00 175.22 173.53 2tbd s LEU 70 N 1.50 2.94 0.03 -1.99 2.96 -0.75 -2.47 118.68 120.90 2tbd s LEU 70 Ca 0.01 0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 2tbd s LEU 70 Cb -0.13 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 2tbd s LEU 70 CO -0.06 -1.74 0.05 0.42 -1.32 0.00 0.00 176.35 173.70 2tbd s THR 71 N -3.20 0.13 0.00 3.68 -4.23 0.10 -1.88 115.64 110.23 2tbd s THR 71 Ca 0.63 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2tbd s THR 71 Cb -0.08 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.97 2tbd s THR 71 CO 0.44 -0.61 0.00 -0.81 -0.54 0.00 0.00 174.62 173.10 2tbd n PRO 72 N 0.93 0.00 -1.68 3.99 -0.04 -1.25 -4.53 135.00 132.42 2tbd n PRO 72 Ca -0.20 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.10 2tbd n PRO 72 Cb 0.58 -0.25 -0.07 0.00 -0.04 0.00 0.00 33.50 33.72 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 0.00 1.29 0.35 0.54 -3.43 -1.26 -4.87 115.29 107.91 2tbd s HIS 73 Ca 0.00 1.73 -0.15 0.00 -0.80 0.00 0.00 55.06 55.84 2tbd s HIS 73 Cb 0.00 -3.55 -0.12 0.00 -1.43 0.00 0.00 32.58 27.48 2tbd s HIS 73 CO 0.00 -1.50 -0.03 0.54 -2.00 0.00 0.00 174.74 171.75 2tbd n ARG 74 N 8.75 0.00 -3.79 -0.38 1.74 -1.26 -4.99 116.66 116.73 2tbd n ARG 74 Ca 0.45 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.40 2tbd n ARG 74 Cb 0.44 -0.76 -0.10 0.00 -1.02 0.00 0.00 32.46 31.02 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 -1.42 -0.22 0.13 -1.55 -3.43 -1.20 -4.97 115.29 102.64 2tbd s HIS 75 Ca 0.44 0.48 -0.35 0.00 -0.80 0.00 0.00 55.06 54.83 2tbd s HIS 75 Cb -0.42 0.08 -0.15 0.00 -1.43 0.00 0.00 32.58 30.65 2tbd s HIS 75 CO 0.49 -0.23 1.44 -2.13 -2.00 0.00 0.00 174.74 172.31 2tbd n ARG 76 N 2.28 1.64 0.11 -0.38 0.63 -1.26 -2.90 116.66 116.78 2tbd n ARG 76 Ca -0.17 0.59 0.09 0.00 -0.92 0.00 0.00 57.85 57.44 2tbd n ARG 76 Cb 0.57 -2.28 0.44 0.00 0.45 0.00 0.00 32.46 31.64 2tbd n ARG 76 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2tbd n VAL 77 N 2.81 1.15 0.08 5.15 0.31 -1.26 -0.39 118.33 126.19 2tbd n VAL 77 Ca 0.17 0.53 -0.10 0.00 -0.01 0.00 0.00 64.34 64.93 2tbd n VAL 77 Cb 0.24 -1.50 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 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 0.23 0.35 4.52 0.87 -1.77 -1.70 113.55 116.06 2tbd h SER 78 Ca 0.00 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 2tbd h SER 78 Cb 0.11 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2tbd h SER 78 CO 0.00 1.12 -0.17 0.00 -0.53 0.00 0.00 176.83 177.25 2tbd h ALA 79 N 0.86 -0.47 0.00 6.23 0.00 -1.00 -2.75 119.26 122.12 2tbd h ALA 79 Ca -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2tbd h ALA 79 Cb 1.73 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2tbd h ALA 79 CO 0.16 -0.61 -0.10 0.82 0.00 0.00 0.00 179.25 179.51 2tbd h ILE 80 N -0.78 0.43 -0.70 0.00 2.04 -1.60 -0.72 117.51 116.18 2tbd h ILE 80 Ca -0.05 -0.54 0.17 0.00 1.00 0.00 0.00 64.86 65.44 2tbd h ILE 80 Cb 0.52 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2tbd h ILE 80 CO 0.08 0.10 0.48 -1.13 0.00 0.00 0.00 178.15 177.68 2tbd h ASN 81 N 0.00 0.21 -0.75 1.72 -0.00 -1.00 0.53 115.58 116.30 2tbd h ASN 81 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.30 2tbd h ASN 81 Cb 0.37 -0.03 -0.04 0.00 -0.00 0.00 0.00 38.32 38.63 2tbd h ASN 81 CO 0.01 0.10 0.44 -1.13 -0.00 0.00 0.00 177.43 176.86 2tbd h ASN 82 N 0.22 0.91 0.57 1.15 -1.24 -1.08 0.62 115.58 116.73 2tbd h ASN 82 Ca 0.34 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.25 2tbd h ASN 82 Cb 1.03 -0.23 0.01 0.00 0.73 0.00 0.00 38.32 39.85 2tbd h ASN 82 CO -0.07 0.72 -0.27 0.22 -1.29 0.00 0.00 177.43 176.74 2tbd h TYR 83 N 1.03 -0.71 0.00 0.67 3.20 -0.07 0.39 116.97 121.48 2tbd h TYR 83 Ca 0.27 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2tbd h TYR 83 Cb -0.01 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2tbd h TYR 83 CO -0.01 -0.44 0.00 0.00 -1.64 0.00 0.00 178.16 176.07 2tbd n ALA 84 N -2.53 1.21 -0.02 1.82 0.00 -0.81 -1.71 120.51 118.47 2tbd n ALA 84 Ca -0.10 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 2tbd n ALA 84 Cb 0.30 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.63 0.65 0.07 0.00 -0.06 0.22 -3.74 117.38 112.88 2tbd n GLN 85 Ca 0.01 0.28 0.09 0.00 -2.00 0.00 0.00 57.00 55.38 2tbd n GLN 85 Cb 0.06 -1.77 0.40 0.00 -4.06 0.00 0.00 30.24 24.87 2tbd n GLN 85 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 2tbd n LYS 86 N -3.08 0.10 -0.26 3.69 2.85 0.09 -1.54 118.16 120.02 2tbd n LYS 86 Ca -0.19 0.35 0.05 0.00 -1.05 0.00 0.00 58.31 57.47 2tbd n LYS 86 Cb 1.06 -1.69 0.17 0.00 -0.65 0.00 0.00 35.03 33.92 2tbd n LYS 86 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2tbd n LEU 87 N -1.87 2.35 -1.67 -5.58 4.77 -1.22 -4.33 117.00 109.45 2tbd n LEU 87 Ca 0.03 -1.18 -0.07 0.00 -0.03 0.00 0.00 56.01 54.75 2tbd n LEU 87 Cb 0.19 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 2tbd n LEU 87 CO 0.16 0.47 1.09 0.00 -1.33 0.00 0.00 177.39 177.78 2tbd n THR 89 N 0.98 2.15 -3.15 0.00 -2.24 -1.26 -4.92 114.28 105.84 2tbd n THR 89 Ca 0.13 -2.67 0.05 0.00 -2.27 0.00 0.00 64.05 59.30 2tbd n THR 89 Cb 0.54 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 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 -3.07 -0.68 0.02 4.78 -0.71 -1.25 -5.14 117.98 111.93 2tbd s PHE 90 Ca 0.37 0.65 0.00 0.00 -1.04 0.00 0.00 56.93 56.91 2tbd s PHE 90 Cb 0.34 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 2tbd s PHE 90 CO -0.01 -0.37 0.00 0.45 -1.34 0.00 0.00 175.22 173.95 2tbd n SER 91 N 5.42 -1.28 -4.79 1.98 2.88 -1.26 -4.90 113.62 111.67 2tbd n SER 91 Ca -0.04 0.07 -0.24 0.00 -1.33 0.00 0.00 58.87 57.34 2tbd n SER 91 Cb 0.54 -0.20 0.08 0.00 -0.75 0.00 0.00 64.21 63.89 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2tbd s PHE 92 N -0.29 2.26 -0.28 0.66 -0.12 -1.26 -4.95 117.98 114.01 2tbd s PHE 92 Ca 0.00 -0.01 -0.19 0.00 -0.05 0.00 0.00 56.93 56.68 2tbd s PHE 92 Cb 0.00 -3.03 0.08 0.00 -0.63 0.00 0.00 43.02 39.44 2tbd s PHE 92 CO 0.00 -1.45 0.70 -1.17 -0.05 0.00 0.00 175.22 173.26 2tbd s LEU 93 N -5.09 -0.88 -0.39 -1.99 0.20 -1.26 -4.45 118.68 104.81 2tbd s LEU 93 Ca 0.63 1.49 0.07 0.00 0.69 0.00 0.00 54.13 57.01 2tbd s LEU 93 Cb -0.08 2.41 0.24 0.00 -0.43 0.00 0.00 46.19 48.33 2tbd s LEU 93 CO 0.43 -0.24 0.50 -0.38 -0.29 0.00 0.00 176.35 176.36 2tbd n ILE 94 N 3.76 -0.77 -2.69 6.68 5.41 -0.19 -5.02 119.36 126.53 2tbd n ILE 94 Ca -0.18 -3.91 -0.42 0.00 1.00 0.00 0.00 62.75 59.23 2tbd n ILE 94 Cb 0.58 -1.90 -0.03 0.00 -0.71 0.00 0.00 39.64 37.58 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 2.08 1.88 0.49 0.00 2.20 -0.69 -4.95 119.74 120.75 2tbd s LYS 96 Ca 0.48 -2.13 0.07 0.00 -0.36 0.00 0.00 55.97 54.02 2tbd s LYS 96 Cb -0.18 -0.37 0.07 0.00 -1.51 0.00 0.00 37.83 35.84 2tbd s LYS 96 CO 0.17 -0.52 0.58 0.41 -0.36 0.00 0.00 175.35 175.63 2tbd n GLY 97 N -0.84 2.22 3.04 5.54 0.00 -1.26 -0.85 105.19 113.04 2tbd n GLY 97 Ca -0.03 -2.23 -0.19 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.17 0.75 -0.20 1.61 1.01 -0.59 -4.11 120.40 116.70 2tbd s VAL 98 Ca 0.44 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 2tbd s VAL 98 Cb -0.03 -0.64 -0.15 0.00 0.00 0.00 0.00 36.38 35.56 2tbd s VAL 98 CO 0.28 0.18 0.10 -3.20 0.00 0.00 0.00 175.10 172.46 2tbd n ASN 99 N 2.76 1.85 -4.10 3.32 2.85 -1.24 -4.66 115.26 116.04 2tbd n ASN 99 Ca -0.14 0.47 -0.36 0.00 -0.11 0.00 0.00 54.58 54.44 2tbd n ASN 99 Cb 0.57 -0.94 -0.08 0.00 1.24 0.00 0.00 39.78 40.57 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2tbd s LYS 100 N -2.34 2.95 0.00 1.20 -0.14 -1.25 -4.97 119.74 115.19 2tbd s LYS 100 Ca -0.26 -2.93 0.00 0.00 -1.36 0.00 0.00 55.97 51.42 2tbd s LYS 100 Cb 0.05 -3.85 0.00 0.00 -1.68 0.00 0.00 37.83 32.35 2tbd s LYS 100 CO 0.50 -1.23 1.00 0.39 -0.76 0.00 0.00 175.35 175.25 2tbd n GLU 101 N 2.88 0.00 0.00 1.68 1.02 -1.26 -1.84 120.64 123.11 2tbd n GLU 101 Ca 0.15 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.27 2tbd n GLU 101 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2tbd n TYR 102 N -2.96 0.00 -0.22 -0.32 4.19 -1.26 -1.72 117.16 114.87 2tbd n TYR 102 Ca 0.00 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.15 2tbd n TYR 102 Cb 0.00 -0.13 -0.05 0.00 0.49 0.00 0.00 39.34 39.65 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 -1.53 -0.55 -0.37 2.98 4.77 -1.09 -0.97 117.00 120.24 2tbd n LEU 103 Ca 0.00 1.41 -0.04 0.00 -0.03 0.00 0.00 56.01 57.35 2tbd n LEU 103 Cb 0.00 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2tbd n LEU 103 CO 0.00 -0.99 0.52 0.80 -1.33 0.00 0.00 177.39 176.39 2tbd n MET 104 N -4.17 -0.27 -0.25 3.23 1.56 -0.77 0.92 117.12 117.36 2tbd n MET 104 Ca 0.01 1.44 0.01 0.00 -0.27 0.00 0.00 57.70 58.89 2tbd n MET 104 Cb 0.14 -2.13 0.14 0.00 2.15 0.00 0.00 33.22 33.52 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 0.69 0.52 1.12 3.20 -0.17 0.39 116.97 122.72 2tbd h TYR 105 Ca 0.28 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 2tbd h TYR 105 Cb 0.51 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2tbd h TYR 105 CO -0.86 0.27 -0.27 0.77 -1.64 0.00 0.00 178.16 176.42 2tbd h SER 106 N 0.66 -0.66 0.00 -2.11 0.02 0.16 -0.25 113.55 111.37 2tbd h SER 106 Ca 0.36 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2tbd h SER 106 Cb 0.35 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2tbd h SER 106 CO -0.25 -0.44 0.29 0.00 -1.14 0.00 0.00 176.83 175.28 2tbd h ALA 107 N -1.60 1.27 0.16 3.77 0.00 -1.00 0.15 119.26 122.02 2tbd h ALA 107 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.55 2tbd h ALA 107 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2tbd h ALA 107 CO 0.10 -0.27 -1.33 -0.07 0.00 0.00 0.00 179.25 177.68 2tbd h LEU 108 N 0.00 0.53 0.00 0.00 3.38 0.15 -3.24 115.31 116.13 2tbd h LEU 108 Ca 0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2tbd h LEU 108 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2tbd h LEU 108 CO 0.00 1.46 -0.01 0.71 0.09 0.00 0.00 178.44 180.69 2tbd h THR 109 N 0.09 0.00 -2.99 0.22 1.35 0.99 -3.35 112.91 109.22 2tbd h THR 109 Ca -0.18 -0.55 -0.61 0.00 -0.55 0.00 0.00 66.41 64.52 2tbd h THR 109 Cb 2.03 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 69.94 2tbd h THR 109 CO 0.22 0.00 -0.25 -0.60 -0.25 0.00 0.00 175.52 174.63 2tbd s ARG 110 N -3.12 3.80 0.87 4.72 6.06 -0.76 -4.74 118.95 125.78 2tbd s ARG 110 Ca 0.10 0.26 -0.15 0.00 -2.50 0.00 0.00 55.73 53.45 2tbd s ARG 110 Cb 0.11 -3.15 -0.03 0.00 0.06 0.00 0.00 34.95 31.94 2tbd s ARG 110 CO 0.61 0.66 0.17 -0.25 -2.50 0.00 0.00 175.30 173.99 2tbd n ASP 111 N 1.55 -2.71 0.00 -2.12 8.00 -1.26 -1.68 116.55 118.33 2tbd n ASP 111 Ca -0.13 0.40 0.09 0.00 0.71 0.00 0.00 54.79 55.85 2tbd n ASP 111 Cb 0.53 -1.10 0.51 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.39 0.96 -2.69 -0.24 -0.04 -1.26 -5.01 135.00 126.33 2tbd n PRO 112 Ca 0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 2tbd n PRO 112 Cb 0.53 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 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 -2.00 2.78 0.66 0.54 0.08 -0.68 -4.79 117.98 114.58 2tbd s PHE 113 Ca 0.26 0.43 -0.02 0.00 0.12 0.00 0.00 56.93 57.72 2tbd s PHE 113 Cb 0.12 -4.28 0.08 0.00 -0.57 0.00 0.00 43.02 38.36 2tbd s PHE 113 CO 0.20 -1.33 0.93 -1.12 -0.10 0.00 0.00 175.22 173.80 2tbd s SER 114 N 2.60 4.75 0.10 1.36 0.01 -0.88 -3.54 113.70 118.12 2tbd s SER 114 Ca 0.41 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.71 2tbd s SER 114 Cb -0.09 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 2tbd s SER 114 CO 0.27 -1.56 -0.11 -0.69 0.41 0.00 0.00 173.24 171.55 2tbd s VAL 115 N -3.05 3.28 0.05 3.43 1.01 -1.26 -1.78 120.40 122.08 2tbd s VAL 115 Ca 0.62 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 2tbd s VAL 115 Cb -0.08 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2tbd s VAL 115 CO 0.42 0.12 -0.05 -0.38 0.00 0.00 0.00 175.10 175.21 2tbd n ILE 116 N 0.75 1.17 -3.65 2.22 5.41 0.02 -4.79 119.36 120.48 2tbd n ILE 116 Ca -0.14 0.34 -0.05 0.00 1.00 0.00 0.00 62.75 63.90 2tbd n ILE 116 Cb 0.52 -1.66 -0.06 0.00 -0.71 0.00 0.00 39.64 37.73 2tbd n ILE 116 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2tbd s GLU 117 N -2.05 0.57 0.03 0.38 2.02 -1.07 -4.99 118.70 113.60 2tbd s GLU 117 Ca -0.05 1.27 0.08 0.00 0.02 0.00 0.00 54.97 56.29 2tbd s GLU 117 Cb 0.01 0.48 -0.03 0.00 0.10 0.00 0.00 34.13 34.69 2tbd s GLU 117 CO 0.07 -0.19 -0.23 -1.83 0.02 0.00 0.00 175.26 173.10 2tbd s GLU 118 N 2.31 1.63 0.37 1.61 -1.05 -1.26 -1.28 118.70 121.03 2tbd s GLU 118 Ca -0.07 -0.99 0.23 0.00 -0.15 0.00 0.00 54.97 53.99 2tbd s GLU 118 Cb -0.09 -1.75 1.24 0.00 -0.44 0.00 0.00 34.13 33.09 2tbd s GLU 118 CO -0.18 0.45 1.68 0.66 0.95 0.00 0.00 175.26 178.82 2tbd h SER 119 N 4.95 0.00 -3.96 0.83 4.64 -1.93 -3.40 113.55 114.68 2tbd h SER 119 Ca -0.44 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.20 2tbd h SER 119 Cb 1.15 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.02 2tbd h SER 119 CO 0.44 0.00 -0.81 -0.76 -0.87 0.00 0.00 176.83 174.83 2tbd s LEU 120 N -4.65 2.57 0.06 5.97 1.43 -1.26 -5.03 118.68 117.78 2tbd s LEU 120 Ca -0.03 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 2tbd s LEU 120 Cb 0.07 -1.49 -0.28 0.00 0.03 0.00 0.00 46.19 44.52 2tbd s LEU 120 CO 0.21 0.24 1.12 1.55 0.23 0.00 0.00 176.35 179.70 2tbd h PRO 121 N 4.40 0.59 0.15 1.29 0.13 -2.04 -3.32 132.00 133.20 2tbd h PRO 121 Ca -0.48 -0.79 -0.32 0.00 -0.87 0.00 0.00 66.00 63.54 2tbd h PRO 121 Cb 1.16 0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2tbd h PRO 121 CO 0.47 1.35 -1.58 0.78 -0.23 0.00 0.00 178.00 178.79 2tbd h GLY 122 N 0.45 0.36 0.00 1.56 0.00 -1.96 -3.50 103.07 99.98 2tbd h GLY 122 Ca -0.18 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.23 2tbd h GLY 122 CO 0.23 0.81 0.00 0.61 0.00 0.00 0.00 176.54 178.19 2tbd n GLY 123 N 1.72 0.58 4.00 4.60 0.00 -1.25 -5.00 105.19 109.84 2tbd n GLY 123 Ca -0.18 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.34 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 3.29 0.00 0.99 1.02 -1.26 -4.88 118.68 117.84 2tbd s LEU 124 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 54.13 53.43 2tbd s LEU 124 Cb 0.00 -1.98 0.00 0.00 0.02 0.00 0.00 46.19 44.23 2tbd s LEU 124 CO 0.00 -1.07 0.00 0.29 0.02 0.00 0.00 176.35 175.59 2tbd n LYS 125 N -2.02 0.00 -0.00 1.70 4.76 -1.26 -4.92 118.16 116.42 2tbd n LYS 125 Ca 0.11 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.70 2tbd n LYS 125 Cb 0.61 0.00 0.87 0.00 -1.84 0.00 0.00 35.03 34.67 2tbd n LYS 125 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2tbd n GLU 126 N 0.00 1.02 -0.07 1.97 0.28 -1.26 -2.17 120.64 120.41 2tbd n GLU 126 Ca 0.00 -0.03 -0.21 0.00 -0.16 0.00 0.00 57.16 56.76 2tbd n GLU 126 Cb 0.00 -1.47 -0.12 0.00 1.43 0.00 0.00 31.44 31.28 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 0.07 0.15 0.02 -1.84 2.07 -1.97 -3.38 115.15 110.26 2tbd h HIS 127 Ca 0.00 -0.11 -0.25 0.00 -2.85 0.00 0.00 60.37 57.16 2tbd h HIS 127 Cb 0.01 -0.01 -0.03 0.00 2.57 0.00 0.00 27.41 29.96 2tbd h HIS 127 CO 0.00 1.54 -1.26 -0.44 -3.07 0.00 0.00 177.93 174.69 2tbd h ASP 128 N -0.70 0.06 -3.89 3.10 3.32 -1.88 -3.46 116.42 112.96 2tbd h ASP 128 Ca -0.34 -0.07 -0.44 0.00 0.02 0.00 0.00 57.03 56.19 2tbd h ASP 128 Cb 1.49 -0.02 0.18 0.00 0.22 0.00 0.00 39.33 41.20 2tbd h ASP 128 CO -0.11 1.06 0.42 -0.36 -1.72 0.00 0.00 179.24 178.53 2tbd s PHE 129 N -2.67 1.29 0.14 4.55 0.08 -0.92 -5.01 117.98 115.44 2tbd s PHE 129 Ca -0.02 0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.23 2tbd s PHE 129 Cb 0.09 -4.22 -0.03 0.00 -0.57 0.00 0.00 43.02 38.29 2tbd s PHE 129 CO 0.83 -2.87 0.13 0.54 -0.10 0.00 0.00 175.22 173.75 2tbd s ASN 130 N -4.92 0.22 1.01 1.36 2.20 -1.26 -4.86 114.94 108.68 2tbd s ASN 130 Ca 0.76 -1.08 -0.02 0.00 -0.94 0.00 0.00 52.86 51.59 2tbd s ASN 130 Cb -0.03 0.34 0.02 0.00 -2.00 0.00 0.00 41.25 39.59 2tbd s ASN 130 CO 0.54 -0.78 0.13 -0.81 -2.94 0.00 0.00 177.10 173.24 2tbd n PRO 131 N -0.13 -0.39 -3.66 3.55 -0.04 -1.26 -5.11 135.00 127.96 2tbd n PRO 131 Ca -0.06 -0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 2tbd n PRO 131 Cb 0.63 -0.15 -0.08 0.00 -0.04 0.00 0.00 33.50 33.87 2tbd n PRO 131 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2tbd s GLU 132 N -3.29 0.70 -0.37 0.54 2.02 -1.26 -5.04 118.70 112.01 2tbd s GLU 132 Ca 0.08 0.94 0.06 0.00 0.02 0.00 0.00 54.97 56.07 2tbd s GLU 132 Cb -0.00 0.28 0.55 0.00 0.10 0.00 0.00 34.13 35.05 2tbd s GLU 132 CO 0.05 -0.11 1.62 0.45 0.02 0.00 0.00 175.26 177.30 2tbd n SER 133 N 3.22 3.39 0.00 -0.19 2.88 -1.26 -5.39 113.62 116.26 2tbd n SER 133 Ca -0.16 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.63 2tbd n SER 133 Cb 0.56 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2tbd n SER 133 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61