#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbd n SER 2 N 0.00 0.00 -4.86 1.61 2.88 -1.26 -5.14 113.62 106.85 1tbd n SER 2 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1tbd n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1tbd n SER 2 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1tbd s LYS 3 N 0.00 3.90 -0.79 -1.46 1.02 -1.26 -4.90 119.74 116.25 1tbd s LYS 3 Ca 0.00 0.50 -0.34 0.00 0.02 0.00 0.00 55.97 56.16 1tbd s LYS 3 Cb 0.00 -2.49 -0.19 0.00 -0.52 0.00 0.00 37.83 34.63 1tbd s LYS 3 CO 0.00 0.17 2.51 1.55 -0.92 0.00 0.00 175.35 178.66 1tbd n VAL 4 N -0.47 0.00 -1.47 3.17 3.14 -1.26 -4.70 118.33 116.75 1tbd n VAL 4 Ca 0.02 -0.09 -0.51 0.00 -2.96 0.00 0.00 64.34 60.80 1tbd n VAL 4 Cb 0.53 -0.80 -0.07 0.00 -1.06 0.00 0.00 33.84 32.44 1tbd n VAL 4 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1tbd n GLU 5 N 8.30 1.09 -1.70 1.45 2.13 -1.26 -4.82 120.64 125.82 1tbd n GLU 5 Ca 0.59 0.31 -0.43 0.00 0.66 0.00 0.00 57.16 58.29 1tbd n GLU 5 Cb 0.08 -2.41 -0.03 0.00 0.27 0.00 0.00 31.44 29.35 1tbd n GLU 5 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1tbd n ASP 6 N 9.32 3.53 -4.68 4.31 9.92 -1.26 -4.92 116.55 132.78 1tbd n ASP 6 Ca 0.40 1.10 -0.43 0.00 -0.53 0.00 0.00 54.79 55.33 1tbd n ASP 6 Cb 0.22 -1.52 -0.02 0.00 -0.64 0.00 0.00 41.12 39.16 1tbd n ASP 6 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1tbd s PRO 7 N 0.48 4.34 0.00 -0.24 0.04 -1.26 -4.91 135.00 133.45 1tbd s PRO 7 Ca 0.73 1.46 0.27 0.00 0.04 0.00 0.00 61.00 63.50 1tbd s PRO 7 Cb -0.57 -3.60 0.84 0.00 0.04 0.00 0.00 34.50 31.20 1tbd s PRO 7 CO 0.40 -0.48 1.64 1.63 0.04 0.00 0.00 177.00 180.24 1tbd n LYS 8 N 5.61 0.04 -1.04 4.56 4.01 -1.26 -4.91 118.16 125.17 1tbd n LYS 8 Ca 0.11 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1tbd n LYS 8 Cb 0.47 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 1tbd n LYS 8 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1tbd n ASP 9 N -1.47 0.00 -4.80 4.39 8.00 -1.26 -4.94 116.55 116.47 1tbd n ASP 9 Ca 0.07 -0.89 -0.31 0.00 0.71 0.00 0.00 54.79 54.37 1tbd n ASP 9 Cb 0.33 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.51 1tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1tbd s PHE 10 N -7.21 2.88 0.35 1.24 0.40 -1.26 -5.01 117.98 109.36 1tbd s PHE 10 Ca 0.00 1.35 -0.26 0.00 -0.60 0.00 0.00 56.93 57.43 1tbd s PHE 10 Cb 0.00 -3.00 -0.10 0.00 0.51 0.00 0.00 43.02 40.43 1tbd s PHE 10 CO 0.00 -1.58 0.99 -1.25 0.70 0.00 0.00 175.22 174.08 1tbd s PRO 11 N -5.04 4.44 0.59 0.24 0.04 -1.26 -4.87 135.00 129.14 1tbd s PRO 11 Ca 0.60 1.43 0.29 0.00 0.04 0.00 0.00 61.00 63.35 1tbd s PRO 11 Cb -0.15 -2.73 1.42 0.00 0.04 0.00 0.00 34.50 33.08 1tbd s PRO 11 CO 0.55 0.13 1.83 0.66 0.04 0.00 0.00 177.00 180.20 1tbd h SER 12 N 2.97 0.00 -0.41 6.66 4.64 -1.96 0.17 113.55 125.63 1tbd h SER 12 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1tbd h SER 12 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1tbd h SER 12 CO 0.64 0.00 0.22 -0.08 -0.87 0.00 0.00 176.83 176.74 1tbd h GLU 13 N 0.00 0.58 -0.03 4.77 4.57 -2.03 -2.22 114.58 120.22 1tbd h GLU 13 Ca 0.27 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1tbd h GLU 13 Cb 1.44 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1tbd h GLU 13 CO -0.00 0.47 0.00 1.28 -1.18 0.00 0.00 179.01 179.58 1tbd n LEU 14 N -4.72 1.77 -0.20 1.64 4.77 0.47 -3.84 117.00 116.88 1tbd n LEU 14 Ca 0.00 -0.60 0.03 0.00 -0.03 0.00 0.00 56.01 55.41 1tbd n LEU 14 Cb 0.08 -0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.30 1tbd n LEU 14 CO 0.36 0.30 0.59 0.18 -1.33 0.00 0.00 177.39 177.49 1tbd n LEU 15 N 0.38 0.60 0.11 2.23 4.77 -0.34 -3.43 117.00 121.31 1tbd n LEU 15 Ca 0.18 -0.29 0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1tbd n LEU 15 Cb 0.39 -0.07 0.35 0.00 -2.33 0.00 0.00 43.42 41.76 1tbd n LEU 15 CO 0.16 0.15 0.79 0.28 -1.33 0.00 0.00 177.39 177.44 1tbd h SER 16 N 0.67 0.00 -1.34 -1.43 0.02 -1.67 -3.40 113.55 106.41 1tbd h SER 16 Ca 0.00 -0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.62 1tbd h SER 16 Cb 0.15 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.46 1tbd h SER 16 CO 0.00 0.02 -0.65 2.22 -1.14 0.00 0.00 176.83 177.28 1tbd n PHE 17 N -2.31 -2.88 -4.24 3.45 1.16 -1.22 -5.13 117.46 106.29 1tbd n PHE 17 Ca 0.05 -2.01 -0.15 0.00 -1.87 0.00 0.00 57.45 53.47 1tbd n PHE 17 Cb 0.44 1.09 -0.06 0.00 -1.61 0.00 0.00 39.48 39.34 1tbd n PHE 17 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1tbd n LEU 18 N 2.76 0.00 -0.11 5.98 4.77 -1.26 -4.49 117.00 124.65 1tbd n LEU 18 Ca 0.21 -2.35 -0.24 0.00 -0.03 0.00 0.00 56.01 53.59 1tbd n LEU 18 Cb 0.54 1.17 -0.11 0.00 -2.33 0.00 0.00 43.42 42.68 1tbd n LEU 18 CO 0.02 -0.39 -0.86 -0.24 -1.33 0.00 0.00 177.39 174.59 1tbd n SER 19 N -1.96 1.91 -2.15 -1.43 2.88 -1.25 -4.61 113.62 107.01 1tbd n SER 19 Ca 0.04 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.82 1tbd n SER 19 Cb 0.45 -0.90 0.04 0.00 -0.75 0.00 0.00 64.21 63.06 1tbd n SER 19 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1tbd n HIS 20 N -4.27 -1.53 -3.53 0.66 -0.00 -1.26 -5.02 115.22 100.27 1tbd n HIS 20 Ca -0.40 0.54 -0.17 0.00 -0.00 0.00 0.00 57.72 57.69 1tbd n HIS 20 Cb 0.78 -3.16 -0.06 0.00 -0.00 0.00 0.00 29.99 27.55 1tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1tbd s ALA 21 N -3.17 -1.78 -0.04 -1.41 0.00 -1.26 -5.06 121.76 109.05 1tbd s ALA 21 Ca 0.30 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.67 1tbd s ALA 21 Cb -0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1tbd s ALA 21 CO 0.39 -0.37 -0.01 0.28 0.00 0.00 0.00 175.76 176.05 1tbd n VAL 22 N 1.05 0.24 -2.42 0.00 0.31 -1.26 -4.63 118.33 111.62 1tbd n VAL 22 Ca -0.18 -0.12 -0.34 0.00 -0.01 0.00 0.00 64.34 63.68 1tbd n VAL 22 Cb 0.57 -0.81 0.01 0.00 -0.91 0.00 0.00 33.84 32.70 1tbd n VAL 22 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1tbd n PHE 23 N -2.33 3.28 -1.63 3.52 3.72 -1.26 -2.35 117.46 120.42 1tbd n PHE 23 Ca -0.06 -2.93 -0.29 0.00 -0.05 0.00 0.00 57.45 54.11 1tbd n PHE 23 Cb 0.60 -0.71 0.10 0.00 -0.94 0.00 0.00 39.48 38.53 1tbd n PHE 23 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tbd s SER 24 N -2.35 4.22 -0.24 4.37 0.15 -1.26 -4.95 113.70 113.64 1tbd s SER 24 Ca 0.48 1.09 0.14 0.00 0.70 0.00 0.00 55.95 58.36 1tbd s SER 24 Cb 0.35 -1.74 0.79 0.00 -1.71 0.00 0.00 66.02 63.71 1tbd s SER 24 CO -0.24 -2.11 1.73 0.59 1.20 0.00 0.00 173.24 174.40 1tbd n ASN 25 N -3.50 5.48 -4.41 5.45 3.02 -1.26 -4.88 115.26 115.16 1tbd n ASN 25 Ca 0.07 -2.98 -0.29 0.00 -0.03 0.00 0.00 54.58 51.35 1tbd n ASN 25 Cb 0.58 -0.68 -0.13 0.00 -0.61 0.00 0.00 39.78 38.94 1tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1tbd s ARG 26 N -2.81 1.58 -0.30 3.52 0.52 -1.26 -5.10 118.95 115.10 1tbd s ARG 26 Ca 0.54 -1.26 -0.16 0.00 -0.52 0.00 0.00 55.73 54.32 1tbd s ARG 26 Cb 0.41 -1.98 -0.02 0.00 0.52 0.00 0.00 34.95 33.88 1tbd s ARG 26 CO 0.15 0.47 0.43 0.95 0.02 0.00 0.00 175.30 177.32 1tbd s THR 27 N -1.04 5.12 0.10 0.02 -4.23 -1.26 -4.45 115.64 109.89 1tbd s THR 27 Ca 0.15 0.48 0.03 0.00 -1.18 0.00 0.00 61.69 61.16 1tbd s THR 27 Cb -0.10 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1tbd s THR 27 CO 0.06 0.01 0.15 -0.76 -0.54 0.00 0.00 174.62 173.54 1tbd s LEU 28 N 2.18 3.99 -0.08 4.79 1.02 0.81 -4.71 118.68 126.68 1tbd s LEU 28 Ca 0.16 0.05 0.12 0.00 0.02 0.00 0.00 54.13 54.48 1tbd s LEU 28 Cb -0.16 -2.63 0.19 0.00 0.02 0.00 0.00 46.19 43.62 1tbd s LEU 28 CO 0.11 0.13 1.10 0.00 0.02 0.00 0.00 176.35 177.71 1tbd n ALA 29 N 0.11 2.18 -3.58 4.21 0.00 -1.26 -2.25 120.51 119.92 1tbd n ALA 29 Ca -0.08 -2.05 -0.14 0.00 0.00 0.00 0.00 53.44 51.18 1tbd n ALA 29 Cb 0.52 -0.25 -0.15 0.00 0.00 0.00 0.00 19.45 19.57 1tbd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tbd s PHE 31 N 0.88 0.18 -0.26 0.00 0.40 -1.08 -2.26 117.98 115.85 1tbd s PHE 31 Ca -0.07 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1tbd s PHE 31 Cb -0.10 -0.14 0.06 0.00 0.51 0.00 0.00 43.02 43.35 1tbd s PHE 31 CO -0.03 -0.18 -0.11 0.00 0.70 0.00 0.00 175.22 175.60 1tbd s ALA 32 N -1.24 2.55 0.14 5.36 0.00 -0.33 -2.28 121.76 125.96 1tbd s ALA 32 Ca -0.14 -1.74 -0.26 0.00 0.00 0.00 0.00 51.96 49.83 1tbd s ALA 32 Cb -0.08 -1.57 -0.07 0.00 0.00 0.00 0.00 23.12 21.39 1tbd s ALA 32 CO -0.00 -1.17 0.80 0.42 0.00 0.00 0.00 175.76 175.80 1tbd s ILE 33 N 1.11 4.42 -0.26 0.00 1.01 -0.54 -2.57 121.20 124.37 1tbd s ILE 33 Ca -0.08 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.31 1tbd s ILE 33 Cb -0.20 -4.16 0.07 0.00 0.01 0.00 0.00 42.46 38.19 1tbd s ILE 33 CO -0.05 0.48 -0.00 -0.47 0.00 0.00 0.00 174.94 174.90 1tbd s TYR 34 N -0.88 2.32 0.33 3.97 5.04 -0.77 -0.15 117.35 127.21 1tbd s TYR 34 Ca 0.37 -1.84 -0.18 0.00 -2.44 0.00 0.00 57.07 52.98 1tbd s TYR 34 Cb -0.23 -1.74 0.05 0.00 0.35 0.00 0.00 41.96 40.39 1tbd s TYR 34 CO 0.26 -0.80 0.83 0.95 -1.34 0.00 0.00 175.55 175.44 1tbd s THR 35 N 1.41 0.00 0.80 4.34 -4.23 -1.02 -1.07 115.64 115.87 1tbd s THR 35 Ca 0.00 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.42 1tbd s THR 35 Cb -0.18 -2.71 -0.11 0.00 1.34 0.00 0.00 72.50 70.84 1tbd s THR 35 CO -0.10 0.00 -0.23 0.35 -0.54 0.00 0.00 174.62 174.10 1tbd n THR 36 N -0.54 0.35 -0.10 3.99 -2.24 -1.26 -2.00 114.28 112.48 1tbd n THR 36 Ca -0.07 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 1tbd n THR 36 Cb 0.60 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 1tbd n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1tbd h LYS 37 N -0.64 0.46 -0.96 -0.78 2.10 -1.87 -2.52 116.57 112.36 1tbd h LYS 37 Ca -0.43 -0.08 0.16 0.00 -2.00 0.00 0.00 60.65 58.29 1tbd h LYS 37 Cb 1.35 -0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 32.52 1tbd h LYS 37 CO 0.33 0.47 0.61 1.49 -2.00 0.00 0.00 179.45 180.35 1tbd h GLU 38 N 0.35 0.75 0.51 0.07 4.81 -2.00 -0.65 114.58 118.44 1tbd h GLU 38 Ca 0.10 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1tbd h GLU 38 Cb 0.18 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.40 1tbd h GLU 38 CO -0.01 0.50 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.30 1tbd h LYS 39 N 0.78 -0.66 -0.19 1.92 3.64 -1.78 -2.60 116.57 117.67 1tbd h LYS 39 Ca 0.50 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.98 1tbd h LYS 39 Cb 0.74 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1tbd h LYS 39 CO -0.27 -0.37 0.22 0.00 -2.27 0.00 0.00 179.45 176.76 1tbd h ALA 40 N -0.53 1.82 -0.21 5.00 0.00 -1.07 0.06 119.26 124.33 1tbd h ALA 40 Ca -0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1tbd h ALA 40 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1tbd h ALA 40 CO 0.12 -0.31 -0.37 0.00 0.00 0.00 0.00 179.25 178.68 1tbd h ALA 41 N 1.75 0.97 0.16 0.00 0.00 -0.75 0.13 119.26 121.51 1tbd h ALA 41 Ca 0.09 -0.41 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 1tbd h ALA 41 Cb 0.52 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1tbd h ALA 41 CO -0.00 0.61 -1.40 -0.07 0.00 0.00 0.00 179.25 178.39 1tbd h LEU 42 N 0.39 0.52 -0.30 0.00 3.38 -0.83 -3.25 115.31 115.23 1tbd h LEU 42 Ca 0.04 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1tbd h LEU 42 Cb 0.82 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1tbd h LEU 42 CO 0.07 1.48 0.00 -0.07 0.09 0.00 0.00 178.44 180.01 1tbd h LEU 43 N 0.09 0.00 0.62 1.67 3.38 -1.27 -2.41 115.31 117.39 1tbd h LEU 43 Ca -0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1tbd h LEU 43 Cb 2.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 1tbd h LEU 43 CO 0.21 0.00 -0.30 0.22 0.09 0.00 0.00 178.44 178.66 1tbd h TYR 44 N 0.00 -0.78 0.00 1.13 5.03 -0.78 -1.30 116.97 120.27 1tbd h TYR 44 Ca 0.00 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 1tbd h TYR 44 Cb 0.78 0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 1tbd h TYR 44 CO 0.00 -0.48 -0.41 0.87 -1.32 0.00 0.00 178.16 176.82 1tbd h LYS 45 N -1.21 0.00 0.17 1.82 1.57 -1.65 -2.16 116.57 115.11 1tbd h LYS 45 Ca -0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1tbd h LYS 45 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1tbd h LYS 45 CO 0.14 0.41 -0.08 0.87 -0.57 0.00 0.00 179.45 180.22 1tbd h LYS 46 N 0.00 -0.22 -0.40 3.15 1.57 -1.43 -3.08 116.57 116.16 1tbd h LYS 46 Ca -0.00 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1tbd h LYS 46 Cb 0.79 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1tbd h LYS 46 CO 0.05 -0.15 0.38 0.82 -0.57 0.00 0.00 179.45 179.98 1tbd h ILE 47 N -0.32 0.50 -1.43 1.86 1.08 -1.31 -1.80 117.51 116.08 1tbd h ILE 47 Ca -0.02 0.00 0.44 0.00 -0.39 0.00 0.00 64.86 64.89 1tbd h ILE 47 Cb 0.17 0.71 -0.11 0.00 -3.07 0.00 0.00 36.82 34.53 1tbd h ILE 47 CO 0.04 0.00 0.97 -0.03 -0.69 0.00 0.00 178.15 178.44 1tbd h MET 48 N 0.00 0.07 0.00 2.37 4.05 -1.29 0.19 114.93 120.33 1tbd h MET 48 Ca 0.19 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1tbd h MET 48 Cb 0.95 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 1tbd h MET 48 CO -0.00 0.05 0.00 -1.91 0.23 0.00 0.00 176.91 175.28 1tbd n GLU 49 N -4.46 -0.57 0.06 0.39 2.13 -0.71 -4.10 120.64 113.38 1tbd n GLU 49 Ca 0.37 -0.46 0.04 0.00 0.66 0.00 0.00 57.16 57.77 1tbd n GLU 49 Cb 1.51 -0.89 -0.05 0.00 0.27 0.00 0.00 31.44 32.27 1tbd n GLU 49 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1tbd n LYS 50 N -0.03 0.61 -0.42 5.31 4.81 -0.00 -4.39 118.16 124.05 1tbd n LYS 50 Ca 0.00 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1tbd n LYS 50 Cb 0.07 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1tbd n LYS 50 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1tbd n TYR 51 N -2.81 0.00 -4.09 5.64 4.02 -0.83 -5.00 117.16 114.10 1tbd n TYR 51 Ca -0.06 -0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.55 1tbd n TYR 51 Cb 0.73 -0.04 -0.05 0.00 -0.02 0.00 0.00 39.34 39.96 1tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1tbd n SER 52 N -0.01 0.15 -4.20 7.72 7.64 -1.24 -3.79 113.62 119.89 1tbd n SER 52 Ca 0.00 -1.11 -0.60 0.00 1.01 0.00 0.00 58.87 58.17 1tbd n SER 52 Cb 0.67 -2.51 -0.09 0.00 -1.01 0.00 0.00 64.21 61.27 1tbd n SER 52 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1tbd n VAL 53 N -4.47 0.00 0.40 0.44 0.24 -1.25 -4.24 118.33 109.45 1tbd n VAL 53 Ca -0.32 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.05 1tbd n VAL 53 Cb 0.69 -0.44 0.28 0.00 -1.47 0.00 0.00 33.84 32.90 1tbd n VAL 53 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1tbd n THR 54 N 3.63 1.16 0.00 3.34 -1.04 -1.18 -4.57 114.28 115.61 1tbd n THR 54 Ca 0.28 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1tbd n THR 54 Cb -0.05 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1tbd n THR 54 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1tbd n PHE 55 N -1.58 0.00 -4.05 -1.42 7.35 -1.26 -4.88 117.46 111.62 1tbd n PHE 55 Ca 0.03 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.40 1tbd n PHE 55 Cb 0.14 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.82 1tbd n PHE 55 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 1tbd s ILE 56 N 0.00 2.11 -0.07 -2.13 2.07 -1.26 -2.42 121.20 119.50 1tbd s ILE 56 Ca 0.00 -1.68 0.03 0.00 -1.41 0.00 0.00 60.65 57.59 1tbd s ILE 56 Cb 0.00 -2.28 0.01 0.00 0.13 0.00 0.00 42.46 40.32 1tbd s ILE 56 CO 0.00 -0.11 -0.17 -0.55 -1.91 0.00 0.00 174.94 172.20 1tbd s SER 57 N 1.11 2.28 -0.34 4.50 0.15 -0.75 -1.81 113.70 118.84 1tbd s SER 57 Ca -0.06 -0.40 -0.19 0.00 0.70 0.00 0.00 55.95 56.00 1tbd s SER 57 Cb -0.20 -0.99 -0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1tbd s SER 57 CO -0.06 0.10 0.56 -0.60 1.20 0.00 0.00 173.24 174.44 1tbd s ARG 58 N 0.46 3.68 0.42 5.44 3.52 0.17 -1.30 118.95 131.34 1tbd s ARG 58 Ca -0.14 -0.03 0.07 0.00 -0.13 0.00 0.00 55.73 55.50 1tbd s ARG 58 Cb -0.16 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 1tbd s ARG 58 CO 0.05 -0.66 0.21 -1.01 -0.81 0.00 0.00 175.30 173.08 1tbd s HIS 59 N 2.51 2.56 -0.04 5.12 3.76 -1.04 -1.33 115.29 126.83 1tbd s HIS 59 Ca 0.21 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.56 1tbd s HIS 59 Cb -0.15 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 1tbd s HIS 59 CO 0.13 0.13 -0.14 -0.80 -0.85 0.00 0.00 174.74 173.21 1tbd s ASN 60 N -3.94 4.07 0.00 1.40 -0.87 -1.01 -1.18 114.94 113.39 1tbd s ASN 60 Ca 0.41 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.49 1tbd s ASN 60 Cb 0.03 -0.85 0.00 0.00 -0.02 0.00 0.00 41.25 40.41 1tbd s ASN 60 CO 0.23 0.33 0.00 -1.54 -2.57 0.00 0.00 177.10 173.55 1tbd n SER 61 N 2.17 0.00 0.00 -1.22 3.41 -0.74 -1.82 113.62 115.43 1tbd n SER 61 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1tbd n SER 61 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1tbd n TYR 62 N 0.00 0.00 -0.02 7.33 4.02 -1.26 -4.69 117.16 122.54 1tbd n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1tbd n TYR 62 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1tbd n ASN 63 N -2.42 0.05 0.00 7.72 3.02 -1.26 -5.09 115.26 117.28 1tbd n ASN 63 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1tbd n ASN 63 Cb 0.23 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 1tbd n ASN 63 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1tbd n HIS 64 N -0.65 0.00 -4.21 3.10 8.25 -1.26 -4.81 115.22 115.63 1tbd n HIS 64 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1tbd n HIS 64 Cb 0.01 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 1tbd n HIS 64 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1tbd s ASN 65 N 1.28 1.63 -0.42 0.41 0.01 -0.85 -1.79 114.94 115.21 1tbd s ASN 65 Ca 0.00 -0.91 -0.08 0.00 -0.71 0.00 0.00 52.86 51.15 1tbd s ASN 65 Cb 0.00 -0.00 0.08 0.00 0.41 0.00 0.00 41.25 41.74 1tbd s ASN 65 CO 0.00 -0.30 0.26 -0.63 -1.51 0.00 0.00 177.10 174.92 1tbd s ILE 66 N -2.88 4.12 -0.78 0.60 1.09 -0.33 -2.43 121.20 120.58 1tbd s ILE 66 Ca 0.11 -1.49 -0.26 0.00 -1.10 0.00 0.00 60.65 57.91 1tbd s ILE 66 Cb -0.00 -3.56 0.03 0.00 -1.06 0.00 0.00 42.46 37.87 1tbd s ILE 66 CO 0.00 -0.53 1.34 -0.22 -0.10 0.00 0.00 174.94 175.43 1tbd s LEU 67 N 1.39 3.22 0.35 2.97 2.96 0.79 -2.51 118.68 127.85 1tbd s LEU 67 Ca 0.03 -0.58 -0.25 0.00 -0.22 0.00 0.00 54.13 53.11 1tbd s LEU 67 Cb -0.23 -2.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.80 1tbd s LEU 67 CO 0.01 -1.82 0.99 0.12 -1.32 0.00 0.00 176.35 174.33 1tbd s PHE 68 N 5.82 3.53 -0.30 5.38 2.19 -0.42 -1.47 117.98 132.70 1tbd s PHE 68 Ca 0.39 1.72 -0.06 0.00 0.33 0.00 0.00 56.93 59.31 1tbd s PHE 68 Cb -0.07 -3.01 0.18 0.00 -1.31 0.00 0.00 43.02 38.81 1tbd s PHE 68 CO 0.11 -0.13 0.81 -0.59 1.83 0.00 0.00 175.22 177.24 1tbd s PHE 69 N -1.63 -1.12 0.19 10.12 -0.71 -0.97 -1.81 117.98 122.06 1tbd s PHE 69 Ca 0.53 1.15 -0.03 0.00 -1.04 0.00 0.00 56.93 57.53 1tbd s PHE 69 Cb -0.20 0.38 0.04 0.00 -1.21 0.00 0.00 43.02 42.03 1tbd s PHE 69 CO 0.26 -0.62 0.26 1.28 -1.34 0.00 0.00 175.22 175.06 1tbd n LEU 70 N 5.44 0.00 -3.55 -1.99 4.32 -1.02 -2.64 117.00 117.56 1tbd n LEU 70 Ca -0.03 -0.28 -0.17 0.00 -0.02 0.00 0.00 56.01 55.51 1tbd n LEU 70 Cb 0.53 -0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 42.07 1tbd n LEU 70 CO -0.04 -0.69 0.43 0.42 -1.22 0.00 0.00 177.39 176.30 1tbd s THR 71 N -1.56 0.00 0.00 -5.08 -4.23 0.21 -3.10 115.64 101.88 1tbd s THR 71 Ca 0.14 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1tbd s THR 71 Cb -0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1tbd s THR 71 CO 0.10 -0.00 0.06 -0.81 -0.54 0.00 0.00 174.62 173.43 1tbd n PRO 72 N 1.45 0.00 -0.66 3.99 -0.04 -1.25 -4.67 135.00 133.82 1tbd n PRO 72 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.03 1tbd n PRO 72 Cb 0.56 -0.53 0.13 0.00 -0.04 0.00 0.00 33.50 33.62 1tbd n PRO 72 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1tbd n HIS 73 N -0.47 -1.80 -4.05 0.54 1.44 -1.26 -4.95 115.22 104.66 1tbd n HIS 73 Ca 0.00 0.18 -0.32 0.00 -2.01 0.00 0.00 57.72 55.57 1tbd n HIS 73 Cb 0.00 -1.44 -0.06 0.00 0.12 0.00 0.00 29.99 28.60 1tbd n HIS 73 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1tbd s ARG 74 N -3.15 3.10 0.02 -1.40 0.52 -1.26 -4.72 118.95 112.06 1tbd s ARG 74 Ca 0.41 -0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 54.96 1tbd s ARG 74 Cb -0.05 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.57 1tbd s ARG 74 CO 0.48 0.63 0.34 -3.38 0.02 0.00 0.00 175.30 173.39 1tbd s HIS 75 N -1.27 -0.18 0.20 -0.53 -3.43 -0.95 -4.97 115.29 104.15 1tbd s HIS 75 Ca 0.26 0.15 -0.20 0.00 -0.80 0.00 0.00 55.06 54.46 1tbd s HIS 75 Cb -0.12 0.13 -0.08 0.00 -1.43 0.00 0.00 32.58 31.08 1tbd s HIS 75 CO 0.17 -0.49 0.71 1.03 -2.00 0.00 0.00 174.74 174.16 1tbd s ARG 76 N -2.12 4.28 0.50 -0.38 0.52 -1.26 -0.13 118.95 120.36 1tbd s ARG 76 Ca -0.08 0.88 0.26 0.00 -0.52 0.00 0.00 55.73 56.28 1tbd s ARG 76 Cb -0.02 -2.97 1.44 0.00 0.52 0.00 0.00 34.95 33.91 1tbd s ARG 76 CO -0.00 0.45 1.78 0.28 0.02 0.00 0.00 175.30 177.83 1tbd h VAL 77 N 2.91 0.00 -0.26 3.52 2.07 -1.79 0.11 116.25 122.81 1tbd h VAL 77 Ca -0.48 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.86 1tbd h VAL 77 Cb 1.20 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1tbd h VAL 77 CO 0.65 0.00 -0.53 0.77 0.02 0.00 0.00 177.57 178.48 1tbd h SER 78 N 0.00 0.92 0.13 0.57 4.64 -1.82 0.77 113.55 118.76 1tbd h SER 78 Ca 0.00 -0.55 -0.01 0.00 -0.47 0.00 0.00 61.79 60.77 1tbd h SER 78 Cb 0.38 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1tbd h SER 78 CO 0.00 1.29 -0.06 0.00 -0.87 0.00 0.00 176.83 177.19 1tbd h ALA 79 N 0.65 -0.17 0.00 5.18 0.00 -1.11 -2.21 119.26 121.59 1tbd h ALA 79 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1tbd h ALA 79 Cb 1.15 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1tbd h ALA 79 CO 0.12 -0.33 -0.03 0.82 0.00 0.00 0.00 179.25 179.83 1tbd h ILE 80 N -0.71 0.90 0.00 0.00 1.08 -1.54 0.38 117.51 117.61 1tbd h ILE 80 Ca -0.02 -0.10 -0.10 0.00 -0.39 0.00 0.00 64.86 64.26 1tbd h ILE 80 Cb 0.52 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1tbd h ILE 80 CO 0.03 0.03 -0.47 -1.13 -0.69 0.00 0.00 178.15 175.92 1tbd h ASN 81 N 0.00 0.00 0.48 1.72 -1.24 -0.68 -2.27 115.58 113.58 1tbd h ASN 81 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1tbd h ASN 81 Cb 0.05 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1tbd h ASN 81 CO 0.00 0.47 -0.44 -1.13 -1.29 0.00 0.00 177.43 175.04 1tbd h ASN 82 N 0.00 0.00 0.01 1.15 -0.73 -0.28 -0.21 115.58 115.51 1tbd h ASN 82 Ca -0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1tbd h ASN 82 Cb 0.85 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.44 1tbd h ASN 82 CO 0.06 0.44 -0.00 0.22 -0.37 0.00 0.00 177.43 177.78 1tbd h TYR 83 N 0.00 -0.01 -0.98 0.67 3.20 -1.29 -2.30 116.97 116.26 1tbd h TYR 83 Ca -0.00 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.11 1tbd h TYR 83 Cb 0.80 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 1tbd h TYR 83 CO 0.00 -0.01 0.65 0.00 -1.64 0.00 0.00 178.16 177.17 1tbd h ALA 84 N -1.90 2.37 -0.29 1.82 0.00 -1.53 0.32 119.26 120.04 1tbd h ALA 84 Ca -0.00 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1tbd h ALA 84 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1tbd h ALA 84 CO 0.00 -0.70 -0.38 0.37 0.00 0.00 0.00 179.25 178.54 1tbd h GLN 85 N 0.32 0.68 0.00 0.00 5.75 -1.14 -2.15 115.11 118.57 1tbd h GLN 85 Ca 0.52 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1tbd h GLN 85 Cb 1.45 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.01 1tbd h GLN 85 CO -0.19 0.94 0.00 -0.22 -2.65 0.00 0.00 178.83 176.71 1tbd h LYS 86 N 0.56 0.00 -2.17 1.69 3.64 0.24 -2.79 116.57 117.75 1tbd h LYS 86 Ca 0.05 0.00 -0.79 0.00 -1.27 0.00 0.00 60.65 58.64 1tbd h LYS 86 Cb 0.90 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.44 1tbd h LYS 86 CO 0.08 0.00 0.99 1.28 -2.27 0.00 0.00 179.45 179.52 1tbd n LEU 87 N -2.31 7.32 -2.27 5.20 4.77 -0.81 -4.56 117.00 124.33 1tbd n LEU 87 Ca -0.01 -5.23 -0.06 0.00 -0.03 0.00 0.00 56.01 50.68 1tbd n LEU 87 Cb 0.04 -1.12 0.05 0.00 -2.33 0.00 0.00 43.42 40.06 1tbd n LEU 87 CO 0.11 1.97 0.08 0.00 -1.33 0.00 0.00 177.39 178.22 1tbd n THR 89 N -0.53 1.58 -1.13 0.00 -2.24 -1.26 -4.45 114.28 106.24 1tbd n THR 89 Ca 0.18 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 1tbd n THR 89 Cb 0.89 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1tbd n THR 89 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1tbd n PHE 90 N -0.02 0.00 -1.14 4.78 -1.74 -1.26 -5.12 117.46 112.97 1tbd n PHE 90 Ca 0.15 -0.01 0.00 0.00 -0.56 0.00 0.00 57.45 57.04 1tbd n PHE 90 Cb 0.63 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.62 1tbd n PHE 90 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1tbd n SER 91 N -0.01 0.00 -4.00 5.98 7.64 -1.26 -5.07 113.62 116.90 1tbd n SER 91 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1tbd n SER 91 Cb 0.53 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.95 1tbd n SER 91 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1tbd s PHE 92 N -2.30 0.94 -0.27 1.43 -0.71 -1.26 -4.73 117.98 111.07 1tbd s PHE 92 Ca 0.00 0.51 -0.21 0.00 -1.04 0.00 0.00 56.93 56.20 1tbd s PHE 92 Cb 0.00 -3.57 0.07 0.00 -1.21 0.00 0.00 43.02 38.31 1tbd s PHE 92 CO 0.00 -3.48 0.71 -1.17 -1.34 0.00 0.00 175.22 169.93 1tbd s LEU 93 N -6.64 -0.85 -0.38 -1.99 2.96 -1.26 -4.57 118.68 105.95 1tbd s LEU 93 Ca 0.71 1.48 0.10 0.00 -0.22 0.00 0.00 54.13 56.20 1tbd s LEU 93 Cb -0.09 2.43 0.30 0.00 0.50 0.00 0.00 46.19 49.33 1tbd s LEU 93 CO 0.55 -0.25 0.64 -0.38 -1.32 0.00 0.00 176.35 175.60 1tbd n ILE 94 N 3.48 -0.41 -3.00 6.68 5.41 -0.24 -5.02 119.36 126.26 1tbd n ILE 94 Ca -0.17 -4.26 -0.40 0.00 1.00 0.00 0.00 62.75 58.93 1tbd n ILE 94 Cb 0.57 -1.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.45 1tbd n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tbd s LYS 96 N 0.30 1.44 0.65 0.00 1.02 -1.06 -4.93 119.74 117.15 1tbd s LYS 96 Ca 0.38 -1.65 -0.00 0.00 0.02 0.00 0.00 55.97 54.72 1tbd s LYS 96 Cb -0.19 0.33 0.09 0.00 -0.52 0.00 0.00 37.83 37.53 1tbd s LYS 96 CO 0.21 -0.52 0.91 0.20 -0.92 0.00 0.00 175.35 175.23 1tbd s GLY 97 N -3.18 1.78 -0.02 -3.33 0.00 -1.26 -1.18 107.32 100.13 1tbd s GLY 97 Ca 0.36 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1tbd s GLY 97 CO 0.15 -1.07 -0.04 0.14 0.00 0.00 0.00 173.10 172.28 1tbd s VAL 98 N -3.00 0.36 -0.17 1.40 1.01 -0.96 -3.77 120.40 115.28 1tbd s VAL 98 Ca 0.62 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 1tbd s VAL 98 Cb -0.08 -0.35 -0.23 0.00 0.00 0.00 0.00 36.38 35.73 1tbd s VAL 98 CO 0.42 0.13 0.23 0.59 0.00 0.00 0.00 175.10 176.47 1tbd n ASN 99 N 3.38 2.03 -4.16 3.32 3.02 -1.26 -4.69 115.26 116.90 1tbd n ASN 99 Ca -0.18 0.25 -0.39 0.00 -0.03 0.00 0.00 54.58 54.23 1tbd n ASN 99 Cb 0.55 -0.85 -0.09 0.00 -0.61 0.00 0.00 39.78 38.78 1tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1tbd s LYS 100 N -2.50 2.58 0.00 3.52 1.02 -1.26 -4.98 119.74 118.12 1tbd s LYS 100 Ca -0.26 -2.20 0.00 0.00 0.02 0.00 0.00 55.97 53.52 1tbd s LYS 100 Cb 0.07 -3.84 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1tbd s LYS 100 CO 0.69 -1.18 0.69 0.39 -0.92 0.00 0.00 175.35 175.02 1tbd n GLU 101 N 4.10 0.00 -0.24 1.68 4.71 -1.26 -2.26 120.64 127.37 1tbd n GLU 101 Ca 0.03 0.28 -0.04 0.00 -0.01 0.00 0.00 57.16 57.43 1tbd n GLU 101 Cb 0.40 -1.22 -0.02 0.00 -1.01 0.00 0.00 31.44 29.59 1tbd n GLU 101 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 1tbd n TYR 102 N -1.35 -0.13 0.05 -0.32 4.19 -1.26 -0.93 117.16 117.41 1tbd n TYR 102 Ca 0.00 0.73 -0.06 0.00 3.31 0.00 0.00 57.90 61.89 1tbd n TYR 102 Cb 0.00 -0.63 -0.03 0.00 0.49 0.00 0.00 39.34 39.17 1tbd n TYR 102 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1tbd h LEU 103 N 0.00 -0.51 -0.42 2.98 7.12 -1.99 -1.25 115.31 121.24 1tbd h LEU 103 Ca 0.15 0.05 0.04 0.00 0.13 0.00 0.00 57.88 58.25 1tbd h LEU 103 Cb 0.30 0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.56 1tbd h LEU 103 CO -0.57 -0.20 -0.29 -0.03 -0.13 0.00 0.00 178.44 177.23 1tbd h MET 104 N -0.27 -0.05 -1.06 1.25 4.05 -0.59 0.53 114.93 118.79 1tbd h MET 104 Ca -0.01 0.00 0.32 0.00 -0.28 0.00 0.00 59.70 59.73 1tbd h MET 104 Cb 0.26 0.01 -0.13 0.00 -0.80 0.00 0.00 31.60 30.94 1tbd h MET 104 CO -0.08 -0.03 0.64 -0.92 0.23 0.00 0.00 176.91 176.75 1tbd h TYR 105 N -0.05 0.83 0.79 1.39 5.03 -1.32 0.93 116.97 124.56 1tbd h TYR 105 Ca 0.07 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.37 1tbd h TYR 105 Cb 0.23 -0.23 0.01 0.00 1.55 0.00 0.00 36.73 38.29 1tbd h TYR 105 CO -0.90 -0.10 -0.38 1.03 -1.32 0.00 0.00 178.16 176.49 1tbd h SER 106 N 0.34 -0.89 0.00 -2.11 0.87 0.13 -0.16 113.55 111.73 1tbd h SER 106 Ca 0.71 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 1tbd h SER 106 Cb 1.71 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.90 1tbd h SER 106 CO -0.50 -0.60 0.01 0.00 -0.53 0.00 0.00 176.83 175.21 1tbd n ALA 107 N -2.58 1.02 0.03 6.23 0.00 -0.49 -0.94 120.51 123.79 1tbd n ALA 107 Ca -0.13 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1tbd n ALA 107 Cb 0.42 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 1tbd n ALA 107 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1tbd h LEU 108 N 0.00 0.15 -0.02 0.00 3.38 -0.08 -3.30 115.31 115.43 1tbd h LEU 108 Ca 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1tbd h LEU 108 Cb 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1tbd h LEU 108 CO 0.00 1.18 -0.20 0.71 0.09 0.00 0.00 178.44 180.23 1tbd h THR 109 N 0.03 0.34 -3.31 0.22 1.35 0.78 -3.33 112.91 108.99 1tbd h THR 109 Ca -0.20 -1.47 -0.57 0.00 -0.55 0.00 0.00 66.41 63.62 1tbd h THR 109 Cb 1.94 2.16 -0.06 0.00 -1.73 0.00 0.00 68.15 70.47 1tbd h THR 109 CO 0.12 0.19 -0.03 -0.13 -0.25 0.00 0.00 175.52 175.43 1tbd s ARG 110 N -3.12 4.33 0.82 4.72 0.52 -0.92 -4.74 118.95 120.56 1tbd s ARG 110 Ca 0.06 0.70 -0.17 0.00 -0.52 0.00 0.00 55.73 55.80 1tbd s ARG 110 Cb 0.06 -3.37 -0.11 0.00 0.52 0.00 0.00 34.95 32.06 1tbd s ARG 110 CO 0.70 0.30 -0.24 -0.25 0.02 0.00 0.00 175.30 175.82 1tbd n ASP 111 N 3.00 -4.09 0.00 0.23 8.00 -1.26 -1.96 116.55 120.47 1tbd n ASP 111 Ca -0.06 0.39 0.05 0.00 0.71 0.00 0.00 54.79 55.87 1tbd n ASP 111 Cb 0.51 -0.92 0.28 0.00 -0.02 0.00 0.00 41.12 40.97 1tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1tbd n PRO 112 N 1.13 0.99 -2.63 -0.24 -0.04 -1.26 -5.02 135.00 127.92 1tbd n PRO 112 Ca 0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.07 1tbd n PRO 112 Cb 0.52 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.81 1tbd n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1tbd s PHE 113 N -2.00 2.84 0.75 0.54 0.08 -0.83 -4.75 117.98 114.61 1tbd s PHE 113 Ca 0.14 0.69 -0.03 0.00 0.12 0.00 0.00 56.93 57.85 1tbd s PHE 113 Cb 0.06 -4.35 0.15 0.00 -0.57 0.00 0.00 43.02 38.32 1tbd s PHE 113 CO 0.11 -1.23 1.03 0.43 -0.10 0.00 0.00 175.22 175.45 1tbd n SER 114 N 7.71 1.10 -4.29 1.36 7.64 -0.75 -3.75 113.62 122.64 1tbd n SER 114 Ca 0.11 -1.99 -0.25 0.00 1.01 0.00 0.00 58.87 57.75 1tbd n SER 114 Cb 0.49 -0.69 -0.13 0.00 -1.01 0.00 0.00 64.21 62.87 1tbd n SER 114 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1tbd s VAL 115 N -3.14 1.77 0.00 0.44 1.01 -1.26 -2.42 120.40 116.80 1tbd s VAL 115 Ca 0.66 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1tbd s VAL 115 Cb -0.03 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1tbd s VAL 115 CO 0.44 -0.03 0.00 -0.38 0.00 0.00 0.00 175.10 175.13 1tbd n ILE 116 N 1.11 0.01 -4.13 2.22 5.41 -0.44 -4.82 119.36 118.72 1tbd n ILE 116 Ca -0.19 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.47 1tbd n ILE 116 Cb 0.53 -1.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.37 1tbd n ILE 116 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1tbd s GLU 117 N -1.01 0.82 -0.05 0.38 2.02 -1.03 -4.97 118.70 114.86 1tbd s GLU 117 Ca 0.00 -1.36 -0.30 0.00 0.02 0.00 0.00 54.97 53.32 1tbd s GLU 117 Cb 0.00 0.23 0.08 0.00 0.10 0.00 0.00 34.13 34.54 1tbd s GLU 117 CO 0.00 -0.21 0.71 -1.83 0.02 0.00 0.00 175.26 173.95 1tbd s GLU 118 N -4.00 1.03 0.31 1.61 -1.05 -1.26 -0.65 118.70 114.68 1tbd s GLU 118 Ca 0.18 0.20 0.20 0.00 -0.15 0.00 0.00 54.97 55.40 1tbd s GLU 118 Cb 0.08 0.48 0.15 0.00 -0.44 0.00 0.00 34.13 34.39 1tbd s GLU 118 CO -0.02 -0.33 1.38 1.03 0.95 0.00 0.00 175.26 178.27 1tbd h SER 119 N 2.89 0.00 -4.25 0.83 0.87 -1.72 -3.46 113.55 108.72 1tbd h SER 119 Ca -0.27 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.81 1tbd h SER 119 Cb 1.15 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.15 1tbd h SER 119 CO 0.38 0.22 0.39 -0.76 -0.53 0.00 0.00 176.83 176.53 1tbd s LEU 120 N -6.10 3.48 0.41 2.23 1.43 -1.26 -4.95 118.68 113.92 1tbd s LEU 120 Ca 0.04 1.54 0.22 0.00 -1.03 0.00 0.00 54.13 54.90 1tbd s LEU 120 Cb 0.07 -4.50 0.55 0.00 0.03 0.00 0.00 46.19 42.35 1tbd s LEU 120 CO 0.73 -0.73 1.67 1.55 0.23 0.00 0.00 176.35 179.80 1tbd h PRO 121 N 0.46 0.00 -0.33 1.29 0.13 -2.00 -3.37 132.00 128.18 1tbd h PRO 121 Ca -0.46 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.40 1tbd h PRO 121 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 1tbd h PRO 121 CO 0.61 0.20 -0.58 0.41 -0.23 0.00 0.00 178.00 178.42 1tbd n GLY 122 N 0.74 1.34 5.97 1.56 0.00 -1.26 -5.13 105.19 108.41 1tbd n GLY 122 Ca 0.02 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.69 1tbd n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tbd n GLY 123 N -0.12 -1.10 3.06 -0.02 0.00 -1.26 -4.80 105.19 100.94 1tbd n GLY 123 Ca 0.04 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 1tbd n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tbd n LEU 124 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.84 117.00 116.66 1tbd n LEU 124 Ca 0.00 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 1tbd n LEU 124 Cb 0.12 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1tbd n LEU 124 CO 0.00 -1.70 0.00 1.17 -1.33 0.00 0.00 177.39 175.54 1tbd n LYS 125 N -3.91 0.00 0.05 3.23 0.00 -1.26 -4.96 118.16 111.31 1tbd n LYS 125 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.56 1tbd n LYS 125 Cb 0.49 0.00 0.48 0.00 0.00 0.00 0.00 35.03 36.00 1tbd n LYS 125 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1tbd n GLU 126 N 0.00 0.10 -0.00 1.64 0.28 -1.26 -2.13 120.64 119.28 1tbd n GLU 126 Ca 0.00 0.17 0.14 0.00 -0.16 0.00 0.00 57.16 57.31 1tbd n GLU 126 Cb 0.00 -1.64 0.52 0.00 1.43 0.00 0.00 31.44 31.75 1tbd n GLU 126 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1tbd n HIS 127 N -1.83 0.00 0.00 -1.84 1.44 -1.26 -4.28 115.22 107.45 1tbd n HIS 127 Ca 0.05 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1tbd n HIS 127 Cb 0.32 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.43 1tbd n HIS 127 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1tbd n ASP 128 N 0.18 2.46 -3.02 4.39 2.03 -1.07 -5.06 116.55 116.46 1tbd n ASP 128 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1tbd n ASP 128 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1tbd n ASP 128 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1tbd n PHE 129 N -2.60 -0.02 -3.05 -0.67 3.72 -0.90 -4.99 117.46 108.96 1tbd n PHE 129 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1tbd n PHE 129 Cb 0.46 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 1tbd n PHE 129 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1tbd n ASN 130 N 0.00 2.05 -3.14 4.37 5.15 -1.26 -4.95 115.26 117.47 1tbd n ASN 130 Ca 0.00 -3.20 -0.35 0.00 -0.60 0.00 0.00 54.58 50.43 1tbd n ASN 130 Cb 0.00 -0.59 -0.05 0.00 -0.53 0.00 0.00 39.78 38.61 1tbd n ASN 130 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1tbd n PRO 131 N 0.07 3.56 -2.03 1.20 -0.04 -1.26 -4.89 135.00 131.61 1tbd n PRO 131 Ca 0.26 -2.18 -0.27 0.00 -0.04 0.00 0.00 63.50 61.28 1tbd n PRO 131 Cb 0.60 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 31.34 1tbd n PRO 131 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1tbd s GLU 132 N 1.61 2.47 0.81 0.54 0.41 -1.26 -4.76 118.70 118.52 1tbd s GLU 132 Ca 0.68 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 1tbd s GLU 132 Cb 0.20 -5.13 0.00 0.00 -1.78 0.00 0.00 34.13 27.42 1tbd s GLU 132 CO -0.06 -3.73 0.00 -1.13 -0.49 0.00 0.00 175.26 169.85 1tbd n SER 133 N 14.43 0.00 -0.06 -0.19 3.41 -1.26 -5.34 113.62 124.61 1tbd n SER 133 Ca 0.42 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 59.19 1tbd n SER 133 Cb 0.47 0.00 0.90 0.00 -0.26 0.00 0.00 64.21 65.31 1tbd n SER 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34