#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 0.00 -4.66 1.61 7.64 -1.26 -5.10 113.62 111.85 2tbd n SER 2 Ca 0.00 0.00 -0.52 0.00 1.01 0.00 0.00 58.87 59.36 2tbd n SER 2 Cb 0.00 0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.17 2tbd n SER 2 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2tbd n LYS 3 N -1.35 1.50 -1.48 1.43 0.00 -1.26 -4.78 118.16 112.23 2tbd n LYS 3 Ca 0.00 0.55 -0.49 0.00 -0.00 0.00 0.00 58.31 58.36 2tbd n LYS 3 Cb 0.00 -2.26 -0.04 0.00 -0.00 0.00 0.00 35.03 32.73 2tbd n LYS 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2tbd n VAL 4 N 3.86 1.48 -2.37 0.58 3.14 -1.26 -4.83 118.33 118.93 2tbd n VAL 4 Ca 0.22 -0.37 -0.42 0.00 -2.96 0.00 0.00 64.34 60.81 2tbd n VAL 4 Cb 0.20 -0.30 -0.03 0.00 -1.06 0.00 0.00 33.84 32.66 2tbd n VAL 4 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2tbd s GLU 5 N -0.82 4.43 0.21 1.45 2.02 -1.26 -5.00 118.70 119.73 2tbd s GLU 5 Ca 0.69 1.84 -0.25 0.00 0.02 0.00 0.00 54.97 57.27 2tbd s GLU 5 Cb -0.94 -3.31 -0.08 0.00 0.10 0.00 0.00 34.13 29.90 2tbd s GLU 5 CO 0.56 -0.25 0.82 0.34 0.02 0.00 0.00 175.26 176.76 2tbd s ASP 6 N 0.86 7.39 -0.04 -0.19 -1.08 -1.26 -5.00 116.67 117.35 2tbd s ASP 6 Ca 0.58 1.70 -0.30 0.00 -0.52 0.00 0.00 52.55 54.01 2tbd s ASP 6 Cb -0.31 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.60 2tbd s ASP 6 CO 0.31 0.14 1.05 -2.16 0.52 0.00 0.00 175.17 175.04 2tbd s PRO 7 N -1.38 4.46 0.00 4.34 0.04 -1.26 -4.93 135.00 136.28 2tbd s PRO 7 Ca 0.39 1.50 0.23 0.00 0.04 0.00 0.00 61.00 63.16 2tbd s PRO 7 Cb -0.22 -3.49 0.45 0.00 0.04 0.00 0.00 34.50 31.28 2tbd s PRO 7 CO 0.26 -0.23 1.41 0.36 0.04 0.00 0.00 177.00 178.84 2tbd n LYS 8 N 4.49 2.39 -3.10 4.56 2.85 -1.26 -4.97 118.16 123.12 2tbd n LYS 8 Ca 0.08 -2.09 0.00 0.00 -1.05 0.00 0.00 58.31 55.25 2tbd n LYS 8 Cb 0.49 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 2tbd n LYS 8 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2tbd n ASP 9 N 1.33 0.00 -4.86 -5.58 2.03 -1.26 -5.05 116.55 103.16 2tbd n ASP 9 Ca 0.18 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.18 2tbd n ASP 9 Cb 0.57 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.93 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2tbd s PHE 10 N -3.00 3.44 0.32 -0.67 0.40 -1.26 -5.04 117.98 112.16 2tbd s PHE 10 Ca 0.00 1.25 -0.27 0.00 -0.60 0.00 0.00 56.93 57.31 2tbd s PHE 10 Cb 0.00 -2.60 -0.09 0.00 0.51 0.00 0.00 43.02 40.84 2tbd s PHE 10 CO 0.00 -0.15 1.01 -1.25 0.70 0.00 0.00 175.22 175.52 2tbd s PRO 11 N -3.71 4.54 0.61 0.24 0.04 -1.26 -4.89 135.00 130.57 2tbd s PRO 11 Ca 0.55 1.52 0.26 0.00 0.04 0.00 0.00 61.00 63.36 2tbd s PRO 11 Cb -0.10 -2.92 1.05 0.00 0.04 0.00 0.00 34.50 32.57 2tbd s PRO 11 CO 0.27 0.20 1.48 1.03 0.04 0.00 0.00 177.00 180.03 2tbd h SER 12 N 3.34 0.00 -0.11 6.66 0.87 -1.96 0.29 113.55 122.63 2tbd h SER 12 Ca -0.47 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.14 2tbd h SER 12 Cb 1.20 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.11 2tbd h SER 12 CO 0.65 0.00 -0.24 -0.33 -0.53 0.00 0.00 176.83 176.39 2tbd h GLU 13 N 0.00 -0.30 -0.24 2.24 5.08 -2.04 -0.82 114.58 118.50 2tbd h GLU 13 Ca 0.35 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2tbd h GLU 13 Cb 2.26 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.57 2tbd h GLU 13 CO -0.00 -0.20 0.00 1.28 -1.00 0.00 0.00 179.01 179.09 2tbd n LEU 14 N -5.36 1.86 -0.05 1.33 7.99 0.07 -3.88 117.00 118.96 2tbd n LEU 14 Ca -0.03 -0.83 0.05 0.00 -0.01 0.00 0.00 56.01 55.19 2tbd n LEU 14 Cb 0.28 -0.16 0.28 0.00 -0.11 0.00 0.00 43.42 43.71 2tbd n LEU 14 CO 0.19 0.42 0.68 0.18 -1.51 0.00 0.00 177.39 177.35 2tbd n LEU 15 N 0.47 0.15 0.14 2.23 4.77 -0.31 -3.19 117.00 121.25 2tbd n LEU 15 Ca 0.15 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 2tbd n LEU 15 Cb 0.34 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2tbd n LEU 15 CO 0.12 0.03 0.31 -1.28 -1.33 0.00 0.00 177.39 175.25 2tbd h SER 16 N 0.18 0.00 -1.45 -1.43 0.87 -1.67 -3.41 113.55 106.64 2tbd h SER 16 Ca 0.00 -0.02 -0.37 0.00 -1.23 0.00 0.00 61.79 60.17 2tbd h SER 16 Cb 0.04 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 61.73 2tbd h SER 16 CO 0.00 0.01 -0.75 2.22 -0.53 0.00 0.00 176.83 177.78 2tbd n PHE 17 N -2.76 -2.26 -4.02 2.24 1.16 -1.19 -5.13 117.46 105.49 2tbd n PHE 17 Ca 0.02 -2.41 -0.01 0.00 -1.87 0.00 0.00 57.45 53.17 2tbd n PHE 17 Cb 0.53 0.81 -0.01 0.00 -1.61 0.00 0.00 39.48 39.21 2tbd n PHE 17 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2tbd n LEU 18 N 2.46 0.00 -0.07 5.98 4.77 -1.26 -4.53 117.00 124.36 2tbd n LEU 18 Ca 0.21 -0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2tbd n LEU 18 Cb 0.54 0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2tbd n LEU 18 CO 0.05 -0.04 -0.74 -0.24 -1.33 0.00 0.00 177.39 175.10 2tbd n SER 19 N -2.76 1.59 0.00 -1.43 2.88 -1.23 -4.44 113.62 108.23 2tbd n SER 19 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2tbd n SER 19 Cb 0.04 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 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 -4.08 0.00 -1.63 0.66 -0.00 -1.26 -4.92 115.22 103.98 2tbd n HIS 20 Ca -0.21 0.00 -0.60 0.00 -0.00 0.00 0.00 57.72 56.91 2tbd n HIS 20 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.43 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd n ALA 21 N 0.00 -1.78 -0.04 -1.41 0.00 -1.26 -4.82 120.51 111.19 2tbd n ALA 21 Ca 0.00 0.51 0.03 0.00 0.00 0.00 0.00 53.44 53.99 2tbd n ALA 21 Cb 0.00 -1.96 -0.16 0.00 0.00 0.00 0.00 19.45 17.33 2tbd n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2tbd n VAL 22 N 3.04 0.50 -1.49 0.00 0.31 -1.26 -4.33 118.33 115.10 2tbd n VAL 22 Ca 0.24 -0.62 -0.06 0.00 -0.01 0.00 0.00 64.34 63.89 2tbd n VAL 22 Cb 0.07 -0.17 0.19 0.00 -0.91 0.00 0.00 33.84 33.02 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 -2.43 1.24 -0.53 3.52 3.01 -1.26 -3.97 117.46 117.04 2tbd n PHE 23 Ca -0.14 -1.69 -0.09 0.00 1.01 0.00 0.00 57.45 56.53 2tbd n PHE 23 Cb 0.78 -0.52 0.08 0.00 -0.01 0.00 0.00 39.48 39.81 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 -1.11 -1.67 -0.07 4.37 7.64 -1.26 -4.98 113.62 116.55 2tbd n SER 24 Ca 0.35 -0.60 0.05 0.00 1.01 0.00 0.00 58.87 59.68 2tbd n SER 24 Cb 1.03 -0.32 0.07 0.00 -1.01 0.00 0.00 64.21 63.99 2tbd n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2tbd n ASN 25 N -3.66 1.95 -4.87 6.43 4.13 -1.26 -4.98 115.26 113.01 2tbd n ASN 25 Ca 0.05 -2.50 -0.36 0.00 1.68 0.00 0.00 54.58 53.44 2tbd n ASN 25 Cb 0.19 -0.23 -0.06 0.00 -1.54 0.00 0.00 39.78 38.14 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2tbd s ARG 26 N -1.83 3.62 -0.42 3.52 0.52 -1.26 -5.06 118.95 118.04 2tbd s ARG 26 Ca 0.16 0.04 -0.18 0.00 -0.52 0.00 0.00 55.73 55.23 2tbd s ARG 26 Cb 0.14 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.47 2tbd s ARG 26 CO 0.02 0.71 0.46 0.95 0.02 0.00 0.00 175.30 177.45 2tbd s THR 27 N -1.13 5.06 0.04 0.02 -4.23 -1.26 -4.45 115.64 109.68 2tbd s THR 27 Ca 0.21 -0.26 -0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2tbd s THR 27 Cb -0.14 -4.04 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 2tbd s THR 27 CO 0.10 -0.42 0.15 -0.76 -0.54 0.00 0.00 174.62 173.16 2tbd s LEU 28 N 2.21 4.15 0.00 4.79 1.43 -1.00 -4.74 118.68 125.51 2tbd s LEU 28 Ca 0.13 0.20 0.11 0.00 -1.03 0.00 0.00 54.13 53.55 2tbd s LEU 28 Cb -0.17 -2.64 0.18 0.00 0.03 0.00 0.00 46.19 43.59 2tbd s LEU 28 CO 0.14 0.21 1.02 0.00 0.23 0.00 0.00 176.35 177.95 2tbd n ALA 29 N 0.65 2.36 -3.14 4.21 0.00 -1.26 -3.13 120.51 120.20 2tbd n ALA 29 Ca -0.09 -0.81 -0.27 0.00 0.00 0.00 0.00 53.44 52.27 2tbd n ALA 29 Cb 0.52 -0.41 -0.16 0.00 0.00 0.00 0.00 19.45 19.39 2tbd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tbd s PHE 31 N 0.30 0.76 -0.26 0.00 0.40 -1.04 -1.55 117.98 116.58 2tbd s PHE 31 Ca -0.11 -0.91 -0.01 0.00 -0.60 0.00 0.00 56.93 55.31 2tbd s PHE 31 Cb -0.15 -0.46 0.08 0.00 0.51 0.00 0.00 43.02 43.00 2tbd s PHE 31 CO 0.04 -0.21 0.04 0.00 0.70 0.00 0.00 175.22 175.80 2tbd s ALA 32 N -3.46 1.59 0.24 5.36 0.00 -0.60 -2.46 121.76 122.44 2tbd s ALA 32 Ca 0.08 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.36 2tbd s ALA 32 Cb 0.04 -1.48 -0.09 0.00 0.00 0.00 0.00 23.12 21.59 2tbd s ALA 32 CO -0.06 -1.42 0.93 0.42 0.00 0.00 0.00 175.76 175.64 2tbd s ILE 33 N 1.58 4.10 -0.26 0.00 1.01 -0.62 -2.21 121.20 124.80 2tbd s ILE 33 Ca 0.03 2.05 -0.01 0.00 0.00 0.00 0.00 60.65 62.72 2tbd s ILE 33 Cb -0.18 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 38.08 2tbd s ILE 33 CO -0.15 0.47 0.05 -0.47 0.00 0.00 0.00 174.94 174.84 2tbd s TYR 34 N -1.22 1.71 0.39 3.97 5.04 -0.67 -0.54 117.35 126.04 2tbd s TYR 34 Ca 0.42 -1.53 -0.14 0.00 -2.44 0.00 0.00 57.07 53.37 2tbd s TYR 34 Cb -0.25 -1.53 0.06 0.00 0.35 0.00 0.00 41.96 40.58 2tbd s TYR 34 CO 0.31 -0.78 0.78 -2.37 -1.34 0.00 0.00 175.55 172.14 2tbd n THR 35 N 4.85 0.00 -0.97 4.34 5.66 -0.96 -1.11 114.28 126.09 2tbd n THR 35 Ca -0.06 -1.01 -0.35 0.00 -3.05 0.00 0.00 64.05 59.58 2tbd n THR 35 Cb 0.44 0.99 0.08 0.00 -1.55 0.00 0.00 70.33 70.28 2tbd n THR 35 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2tbd n THR 36 N -0.53 0.29 0.05 1.09 -2.24 -1.26 -2.12 114.28 109.55 2tbd n THR 36 Ca -0.09 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 2tbd n THR 36 Cb 0.59 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.07 -0.08 -0.57 -0.78 2.10 -1.90 -2.26 116.57 112.01 2tbd h LYS 37 Ca -0.44 0.01 0.16 0.00 -2.00 0.00 0.00 60.65 58.38 2tbd h LYS 37 Cb 1.31 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.64 2tbd h LYS 37 CO 0.32 0.14 0.59 0.93 -2.00 0.00 0.00 179.45 179.43 2tbd h GLU 38 N -0.30 0.00 0.07 0.07 4.39 -2.00 -0.77 114.58 116.04 2tbd h GLU 38 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2tbd h GLU 38 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2tbd h GLU 38 CO 0.01 0.00 -0.03 0.87 -1.16 0.00 0.00 179.01 178.70 2tbd h LYS 39 N 0.00 -0.09 -0.95 2.33 1.57 -1.74 -2.97 116.57 114.73 2tbd h LYS 39 Ca 0.27 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.25 2tbd h LYS 39 Cb 1.45 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.69 2tbd h LYS 39 CO -0.00 0.47 0.61 0.00 -0.57 0.00 0.00 179.45 179.96 2tbd h ALA 40 N -0.25 1.96 -0.27 3.86 0.00 -0.85 0.26 119.26 123.98 2tbd h ALA 40 Ca -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2tbd h ALA 40 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2tbd h ALA 40 CO 0.02 -0.28 -0.21 0.00 0.00 0.00 0.00 179.25 178.78 2tbd h ALA 41 N 1.62 1.15 -0.08 0.00 0.00 -1.42 0.44 119.26 120.97 2tbd h ALA 41 Ca 0.52 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2tbd h ALA 41 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2tbd h ALA 41 CO -0.26 0.54 -0.65 -0.07 0.00 0.00 0.00 179.25 178.80 2tbd h LEU 42 N 0.44 0.36 0.00 0.00 3.38 -0.36 -3.02 115.31 116.11 2tbd h LEU 42 Ca 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2tbd h LEU 42 Cb 0.61 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2tbd h LEU 42 CO 0.04 0.91 -0.45 -0.07 0.09 0.00 0.00 178.44 178.96 2tbd h LEU 43 N 0.22 0.00 0.14 1.67 3.38 -0.99 -3.08 115.31 116.66 2tbd h LEU 43 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2tbd h LEU 43 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2tbd h LEU 43 CO 0.11 0.05 -0.07 0.22 0.09 0.00 0.00 178.44 178.84 2tbd h TYR 44 N 0.00 -0.17 0.00 1.13 5.03 -0.79 -0.54 116.97 121.63 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 0.81 0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.15 2tbd h TYR 44 CO 0.00 0.28 0.00 1.63 -1.32 0.00 0.00 178.16 178.75 2tbd n LYS 45 N -4.93 0.17 -0.01 1.82 5.02 -1.19 -2.04 118.16 117.00 2tbd n LYS 45 Ca -0.08 0.31 -0.01 0.00 -2.02 0.00 0.00 58.31 56.51 2tbd n LYS 45 Cb 0.27 -1.78 -0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2tbd n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2tbd n LYS 46 N -2.09 0.07 0.08 1.97 5.02 -1.16 -4.31 118.16 117.75 2tbd n LYS 46 Ca 0.04 0.29 0.17 0.00 -2.02 0.00 0.00 58.31 56.79 2tbd n LYS 46 Cb 0.28 -0.90 0.69 0.00 -0.02 0.00 0.00 35.03 35.08 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2tbd h ILE 47 N -0.15 0.78 -1.15 -0.18 2.04 -1.23 -1.80 117.51 115.82 2tbd h ILE 47 Ca 0.00 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.19 2tbd h ILE 47 Cb 0.08 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2tbd h ILE 47 CO 0.00 0.00 1.16 -0.03 0.00 0.00 0.00 178.15 179.28 2tbd h MET 48 N 0.00 0.00 0.00 2.37 4.05 -1.55 0.12 114.93 119.93 2tbd h MET 48 Ca 0.17 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 2tbd h MET 48 Cb 0.71 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 2tbd h MET 48 CO -0.00 0.00 -0.35 -1.91 0.23 0.00 0.00 176.91 174.88 2tbd n GLU 49 N -3.45 3.93 0.10 0.39 4.07 -0.70 -3.93 120.64 121.05 2tbd n GLU 49 Ca 0.26 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.33 2tbd n GLU 49 Cb 1.52 -0.63 -0.00 0.00 -0.06 0.00 0.00 31.44 32.26 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 -0.55 -3.35 116.57 121.63 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 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2tbd h LYS 50 CO 0.00 0.77 -0.15 0.66 -2.27 0.00 0.00 179.45 178.46 2tbd n TYR 51 N -3.40 0.00 -4.13 1.91 4.02 -0.78 -4.99 117.16 109.80 2tbd n TYR 51 Ca 0.00 -0.24 -0.28 0.00 -0.01 0.00 0.00 57.90 57.37 2tbd n TYR 51 Cb 0.81 -0.05 -0.05 0.00 -0.02 0.00 0.00 39.34 40.03 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 -0.31 0.02 -2.46 7.72 7.64 -1.23 -3.84 113.62 121.16 2tbd n SER 52 Ca 0.02 -1.12 -0.35 0.00 1.01 0.00 0.00 58.87 58.43 2tbd n SER 52 Cb 0.54 -2.42 -0.05 0.00 -1.01 0.00 0.00 64.21 61.26 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 -4.47 0.00 0.24 0.44 0.24 -1.26 -4.49 118.33 109.04 2tbd n VAL 53 Ca -0.29 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.11 2tbd n VAL 53 Cb 0.68 -0.26 0.46 0.00 -1.47 0.00 0.00 33.84 33.25 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 2.25 1.09 0.00 3.34 -1.04 -1.14 -4.65 114.28 114.13 2tbd n THR 54 Ca 0.18 0.51 0.00 0.00 -2.04 0.00 0.00 64.05 62.70 2tbd n THR 54 Cb -0.03 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 2tbd n THR 54 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2tbd n PHE 55 N -2.10 0.00 -4.16 -1.42 7.35 -1.26 -4.88 117.46 110.99 2tbd n PHE 55 Ca 0.00 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.46 2tbd n PHE 55 Cb 0.10 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.76 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 0.75 -0.04 -2.13 2.07 -1.26 -1.55 121.20 119.04 2tbd s ILE 56 Ca 0.00 -0.21 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 2tbd s ILE 56 Cb 0.00 -0.76 0.01 0.00 0.13 0.00 0.00 42.46 41.84 2tbd s ILE 56 CO 0.00 0.29 -0.07 -0.55 -1.91 0.00 0.00 174.94 172.70 2tbd s SER 57 N 1.15 1.08 -0.35 4.50 0.15 -0.48 -2.42 113.70 117.33 2tbd s SER 57 Ca -0.07 -0.16 -0.21 0.00 0.70 0.00 0.00 55.95 56.21 2tbd s SER 57 Cb -0.14 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2tbd s SER 57 CO -0.01 -0.00 0.68 -0.13 1.20 0.00 0.00 173.24 174.97 2tbd s ARG 58 N 0.62 3.75 0.41 5.44 0.52 -0.35 -1.49 118.95 127.85 2tbd s ARG 58 Ca -0.09 0.19 0.08 0.00 -0.52 0.00 0.00 55.73 55.38 2tbd s ARG 58 Cb -0.12 -3.79 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 2tbd s ARG 58 CO 0.01 -0.73 0.36 -1.01 0.02 0.00 0.00 175.30 173.94 2tbd s HIS 59 N 2.80 2.71 -0.11 -0.53 3.76 -1.03 -0.78 115.29 122.11 2tbd s HIS 59 Ca 0.27 -0.50 0.01 0.00 -0.15 0.00 0.00 55.06 54.69 2tbd s HIS 59 Cb -0.14 -2.14 -0.01 0.00 1.11 0.00 0.00 32.58 31.39 2tbd s HIS 59 CO 0.15 -0.08 -0.16 -0.80 -0.85 0.00 0.00 174.74 173.00 2tbd s ASN 60 N -4.11 3.82 0.00 1.40 0.01 -0.97 -2.06 114.94 113.04 2tbd s ASN 60 Ca 0.47 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 2tbd s ASN 60 Cb -0.03 -1.42 0.00 0.00 0.41 0.00 0.00 41.25 40.21 2tbd s ASN 60 CO 0.27 0.20 0.00 -1.54 -1.51 0.00 0.00 177.10 174.52 2tbd n SER 61 N 3.31 0.00 0.00 -1.22 3.41 -1.09 -2.21 113.62 115.82 2tbd n SER 61 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2tbd n SER 61 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.02 7.33 4.01 -1.26 -4.87 117.16 122.35 2tbd n TYR 62 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 2tbd n TYR 62 Cb 0.00 0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2tbd n ASN 63 N -2.32 2.14 -1.08 7.72 3.02 -1.26 -5.09 115.26 118.40 2tbd n ASN 63 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2tbd n ASN 63 Cb 0.31 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 -2.87 0.00 -4.31 3.10 8.25 -1.26 -4.88 115.22 113.24 2tbd n HIS 64 Ca -0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.15 2tbd n HIS 64 Cb 0.56 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.15 4.26 -0.32 0.41 0.02 -0.90 -2.66 114.94 115.60 2tbd s ASN 65 Ca 0.00 -0.89 0.01 0.00 -1.02 0.00 0.00 52.86 50.96 2tbd s ASN 65 Cb 0.00 -0.60 0.08 0.00 0.02 0.00 0.00 41.25 40.74 2tbd s ASN 65 CO 0.00 -0.16 0.02 -0.63 0.02 0.00 0.00 177.10 176.35 2tbd s ILE 66 N -2.46 2.65 -0.75 0.60 1.09 -0.88 -2.26 121.20 119.20 2tbd s ILE 66 Ca 0.34 -1.81 -0.27 0.00 -1.10 0.00 0.00 60.65 57.81 2tbd s ILE 66 Cb -0.02 -2.70 0.03 0.00 -1.06 0.00 0.00 42.46 38.71 2tbd s ILE 66 CO 0.19 -0.32 1.32 -0.22 -0.10 0.00 0.00 174.94 175.81 2tbd s LEU 67 N 1.10 3.19 0.31 2.97 2.96 0.30 -2.45 118.68 127.06 2tbd s LEU 67 Ca 0.00 -0.49 -0.27 0.00 -0.22 0.00 0.00 54.13 53.15 2tbd s LEU 67 Cb -0.20 -2.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.83 2tbd s LEU 67 CO -0.04 -1.84 0.97 0.12 -1.32 0.00 0.00 176.35 174.24 2tbd s PHE 68 N 5.83 3.70 -0.29 5.38 5.36 -0.56 -1.58 117.98 135.82 2tbd s PHE 68 Ca 0.37 1.79 -0.15 0.00 -0.96 0.00 0.00 56.93 57.98 2tbd s PHE 68 Cb -0.08 -2.99 0.12 0.00 -0.34 0.00 0.00 43.02 39.73 2tbd s PHE 68 CO 0.13 0.10 0.80 -0.59 -1.46 0.00 0.00 175.22 174.21 2tbd s PHE 69 N -1.48 -0.93 0.32 10.12 -0.71 -1.03 -1.38 117.98 122.89 2tbd s PHE 69 Ca 0.49 1.76 0.00 0.00 -1.04 0.00 0.00 56.93 58.14 2tbd s PHE 69 Cb -0.22 0.56 0.06 0.00 -1.21 0.00 0.00 43.02 42.21 2tbd s PHE 69 CO 0.28 -0.46 0.44 -0.11 -1.34 0.00 0.00 175.22 174.03 2tbd n LEU 70 N 4.45 0.00 -3.55 -1.99 7.94 -0.60 -2.49 117.00 120.75 2tbd n LEU 70 Ca -0.17 -0.96 -0.17 0.00 -1.11 0.00 0.00 56.01 53.61 2tbd n LEU 70 Cb 0.56 -0.28 -0.06 0.00 0.53 0.00 0.00 43.42 44.16 2tbd n LEU 70 CO -0.02 -0.71 0.44 0.42 -1.11 0.00 0.00 177.39 176.42 2tbd s THR 71 N -1.21 0.00 0.00 1.96 -4.23 0.38 -2.89 115.64 109.66 2tbd s THR 71 Ca 0.30 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2tbd s THR 71 Cb -0.02 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.82 2tbd s THR 71 CO 0.20 0.00 0.09 -0.81 -0.54 0.00 0.00 174.62 173.55 2tbd n PRO 72 N 1.44 0.00 -0.67 3.99 -0.04 -1.25 -4.72 135.00 133.76 2tbd n PRO 72 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.03 2tbd n PRO 72 Cb 0.56 -0.57 0.13 0.00 -0.04 0.00 0.00 33.50 33.58 2tbd n PRO 72 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2tbd n HIS 73 N -0.48 -1.77 -4.00 0.54 1.44 -1.26 -4.95 115.22 104.73 2tbd n HIS 73 Ca 0.00 0.20 -0.31 0.00 -2.01 0.00 0.00 57.72 55.60 2tbd n HIS 73 Cb 0.00 -1.44 -0.05 0.00 0.12 0.00 0.00 29.99 28.61 2tbd n HIS 73 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2tbd s ARG 74 N -3.11 3.13 -0.15 -1.40 0.52 -1.26 -4.76 118.95 111.91 2tbd s ARG 74 Ca 0.41 -0.56 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 2tbd s ARG 74 Cb -0.05 -2.87 0.05 0.00 0.52 0.00 0.00 34.95 32.60 2tbd s ARG 74 CO 0.48 0.59 0.49 -3.38 0.02 0.00 0.00 175.30 173.50 2tbd s HIS 75 N -1.42 -0.51 0.41 -0.53 -3.43 -1.18 -5.01 115.29 103.63 2tbd s HIS 75 Ca 0.31 1.18 -0.24 0.00 -0.80 0.00 0.00 55.06 55.51 2tbd s HIS 75 Cb -0.12 0.19 -0.09 0.00 -1.43 0.00 0.00 32.58 31.13 2tbd s HIS 75 CO 0.23 -0.30 1.05 0.50 -2.00 0.00 0.00 174.74 174.22 2tbd s ARG 76 N -0.05 4.10 0.45 -0.38 3.52 -1.26 -2.38 118.95 122.94 2tbd s ARG 76 Ca -0.03 1.51 0.28 0.00 -0.13 0.00 0.00 55.73 57.36 2tbd s ARG 76 Cb -0.03 -2.48 1.51 0.00 -1.56 0.00 0.00 34.95 32.38 2tbd s ARG 76 CO 0.02 -0.19 1.84 0.28 -0.81 0.00 0.00 175.30 176.43 2tbd h VAL 77 N 2.10 0.00 -0.26 7.11 2.07 -1.86 0.96 116.25 126.38 2tbd h VAL 77 Ca -0.48 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.85 2tbd h VAL 77 Cb 1.22 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2tbd h VAL 77 CO 0.62 0.00 -0.57 -1.28 0.02 0.00 0.00 177.57 176.36 2tbd h SER 78 N 0.00 0.90 0.40 0.57 0.87 -1.90 0.61 113.55 115.00 2tbd h SER 78 Ca 0.00 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 2tbd h SER 78 Cb 0.13 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2tbd h SER 78 CO 0.00 1.27 -0.19 0.00 -0.53 0.00 0.00 176.83 177.38 2tbd h ALA 79 N 0.74 -0.53 -0.56 6.23 0.00 -1.18 -2.65 119.26 121.31 2tbd h ALA 79 Ca 0.01 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.94 2tbd h ALA 79 Cb 1.17 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2tbd h ALA 79 CO 0.12 -0.50 0.40 0.82 0.00 0.00 0.00 179.25 180.09 2tbd h ILE 80 N -1.12 0.74 -0.75 0.00 1.08 -1.57 0.19 117.51 116.09 2tbd h ILE 80 Ca -0.05 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2tbd h ILE 80 Cb 0.44 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 2tbd h ILE 80 CO 0.09 0.01 0.44 -1.13 -0.69 0.00 0.00 178.15 176.87 2tbd h ASN 81 N 0.05 0.90 -0.07 1.72 -1.24 -0.78 0.10 115.58 116.26 2tbd h ASN 81 Ca 0.27 -0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.22 2tbd h ASN 81 Cb 1.00 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.81 2tbd h ASN 81 CO -0.02 0.71 0.06 -1.13 -1.29 0.00 0.00 177.43 175.76 2tbd h ASN 82 N 1.02 0.00 0.26 1.15 -1.24 -0.26 -0.21 115.58 116.30 2tbd h ASN 82 Ca 0.27 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 2tbd h ASN 82 Cb -0.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.03 2tbd h ASN 82 CO -0.05 0.00 -0.12 0.22 -1.29 0.00 0.00 177.43 176.19 2tbd h TYR 83 N 0.00 -0.32 -0.07 0.67 5.03 -0.83 -1.29 116.97 120.16 2tbd h TYR 83 Ca 0.03 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.35 2tbd h TYR 83 Cb 0.14 0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.52 2tbd h TYR 83 CO 0.00 -0.20 0.20 0.00 -1.32 0.00 0.00 178.16 176.85 2tbd h ALA 84 N -1.72 1.41 0.01 1.82 0.00 -1.24 -0.37 119.26 119.18 2tbd h ALA 84 Ca -0.04 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 2tbd h ALA 84 Cb 0.26 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.08 2tbd h ALA 84 CO 0.06 -0.24 -1.07 1.96 0.00 0.00 0.00 179.25 179.95 2tbd h GLN 85 N 0.00 0.70 0.00 0.00 1.08 -0.88 -2.95 115.11 113.07 2tbd h GLN 85 Ca 0.03 -0.77 0.00 0.00 -1.45 0.00 0.00 58.65 56.46 2tbd h GLN 85 Cb 0.44 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2tbd h GLN 85 CO -0.00 1.34 0.01 0.87 -0.95 0.00 0.00 178.83 180.10 2tbd h LYS 86 N 0.38 0.00 -1.45 1.46 1.79 0.16 -1.65 116.57 117.26 2tbd h LYS 86 Ca -0.14 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.68 2tbd h LYS 86 Cb 1.73 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 32.02 2tbd h LYS 86 CO 0.21 0.00 0.05 1.28 -1.08 0.00 0.00 179.45 179.91 2tbd n LEU 87 N -2.42 6.06 -2.35 2.94 4.32 -1.11 -4.67 117.00 119.77 2tbd n LEU 87 Ca -0.02 -4.88 -0.17 0.00 -0.02 0.00 0.00 56.01 50.92 2tbd n LEU 87 Cb 0.05 -0.70 0.03 0.00 -1.62 0.00 0.00 43.42 41.18 2tbd n LEU 87 CO 0.12 1.96 0.11 0.00 -1.22 0.00 0.00 177.39 178.35 2tbd n THR 89 N -0.60 2.07 -1.77 0.00 -2.24 -1.26 -4.59 114.28 105.88 2tbd n THR 89 Ca 0.30 -2.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.27 2tbd n THR 89 Cb 0.87 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2tbd n THR 89 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2tbd n PHE 90 N -1.26 0.00 -0.42 4.78 -1.74 -1.26 -5.13 117.46 112.42 2tbd n PHE 90 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.07 2tbd n PHE 90 Cb 0.67 0.08 0.00 0.00 1.52 0.00 0.00 39.48 41.75 2tbd n PHE 90 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2tbd n SER 91 N 0.00 0.00 -4.73 5.98 7.64 -1.26 -5.09 113.62 116.16 2tbd n SER 91 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 2tbd n SER 91 Cb 0.56 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.90 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 -2.11 2.37 -0.13 1.43 -0.71 -1.26 -4.82 117.98 112.74 2tbd s PHE 92 Ca 0.00 1.06 -0.07 0.00 -1.04 0.00 0.00 56.93 56.89 2tbd s PHE 92 Cb 0.00 -3.24 0.05 0.00 -1.21 0.00 0.00 43.02 38.63 2tbd s PHE 92 CO 0.00 -2.46 0.31 -1.17 -1.34 0.00 0.00 175.22 170.56 2tbd s LEU 93 N -6.19 0.15 -0.44 -1.99 2.96 -1.26 -4.45 118.68 107.45 2tbd s LEU 93 Ca 0.64 0.67 0.08 0.00 -0.22 0.00 0.00 54.13 55.30 2tbd s LEU 93 Cb -0.17 0.95 0.28 0.00 0.50 0.00 0.00 46.19 47.75 2tbd s LEU 93 CO 0.56 -0.18 0.63 -0.38 -1.32 0.00 0.00 176.35 175.66 2tbd n ILE 94 N 4.38 0.17 -2.88 6.68 5.41 -0.27 -5.02 119.36 127.83 2tbd n ILE 94 Ca -0.22 -4.44 -0.39 0.00 1.00 0.00 0.00 62.75 58.69 2tbd n ILE 94 Cb 0.53 -1.57 -0.06 0.00 -0.71 0.00 0.00 39.64 37.83 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 -1.34 1.74 0.55 0.00 1.02 -0.94 -4.90 119.74 115.86 2tbd s LYS 96 Ca 0.40 -1.94 0.06 0.00 0.02 0.00 0.00 55.97 54.51 2tbd s LYS 96 Cb -0.23 0.34 0.06 0.00 -0.52 0.00 0.00 37.83 37.49 2tbd s LYS 96 CO 0.28 -0.65 0.53 0.41 -0.92 0.00 0.00 175.35 174.99 2tbd n GLY 97 N -0.58 2.49 3.13 -3.33 0.00 -1.26 -1.55 105.19 104.08 2tbd n GLY 97 Ca 0.06 -2.27 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.61 -0.02 -0.16 1.61 1.01 -0.60 -3.50 120.40 116.13 2tbd s VAL 98 Ca 0.40 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.48 2tbd s VAL 98 Cb -0.03 -0.41 -0.23 0.00 0.00 0.00 0.00 36.38 35.71 2tbd s VAL 98 CO 0.25 0.03 0.20 0.59 0.00 0.00 0.00 175.10 176.17 2tbd n ASN 99 N 3.65 1.57 -4.13 3.32 4.13 -1.26 -4.44 115.26 118.11 2tbd n ASN 99 Ca -0.19 0.11 -0.37 0.00 1.68 0.00 0.00 54.58 55.80 2tbd n ASN 99 Cb 0.56 -0.33 -0.09 0.00 -1.54 0.00 0.00 39.78 38.37 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2tbd s LYS 100 N -2.54 2.52 0.00 3.52 1.02 -1.26 -4.98 119.74 118.01 2tbd s LYS 100 Ca -0.21 -2.32 0.00 0.00 0.02 0.00 0.00 55.97 53.46 2tbd s LYS 100 Cb 0.07 -3.77 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 2tbd s LYS 100 CO 0.74 -1.16 0.95 -0.85 -0.92 0.00 0.00 175.35 174.10 2tbd n GLU 101 N 3.87 0.00 -0.11 1.68 0.00 -1.26 -1.51 120.64 123.30 2tbd n GLU 101 Ca 0.05 0.51 -0.03 0.00 0.00 0.00 0.00 57.16 57.69 2tbd n GLU 101 Cb 0.39 -1.45 -0.03 0.00 0.00 0.00 0.00 31.44 30.36 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2tbd n TYR 102 N -1.95 -0.12 -0.07 -1.84 9.36 -1.26 -1.22 117.16 120.06 2tbd n TYR 102 Ca 0.00 0.34 -0.14 0.00 3.32 0.00 0.00 57.90 61.41 2tbd n TYR 102 Cb 0.00 -0.47 -0.10 0.00 -0.63 0.00 0.00 39.34 38.15 2tbd n TYR 102 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2tbd h LEU 103 N 0.00 -1.78 0.00 2.98 7.12 -1.98 0.63 115.31 122.28 2tbd h LEU 103 Ca 0.04 0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.27 2tbd h LEU 103 Cb 0.11 0.71 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 2tbd h LEU 103 CO -0.25 -0.44 0.00 0.80 -0.13 0.00 0.00 178.44 178.41 2tbd n MET 104 N -5.37 0.00 -0.05 1.25 1.56 -0.36 0.20 117.12 114.35 2tbd n MET 104 Ca -0.05 0.47 0.23 0.00 -0.27 0.00 0.00 57.70 58.08 2tbd n MET 104 Cb 0.36 -1.06 0.52 0.00 2.15 0.00 0.00 33.22 35.19 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 0.00 0.55 1.12 3.20 -1.30 0.41 116.97 120.95 2tbd h TYR 105 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2tbd h TYR 105 Cb 0.00 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.28 2tbd h TYR 105 CO -0.08 0.00 -0.26 0.66 -1.64 0.00 0.00 178.16 176.83 2tbd h SER 106 N 0.00 -0.62 0.53 -2.11 4.64 0.22 -1.56 113.55 114.64 2tbd h SER 106 Ca 0.34 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2tbd h SER 106 Cb 2.18 0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 64.43 2tbd h SER 106 CO -0.00 -0.27 -0.00 0.00 -0.87 0.00 0.00 176.83 175.69 2tbd h ALA 107 N -0.77 1.01 0.01 5.18 0.00 0.19 -2.02 119.26 122.86 2tbd h ALA 107 Ca -0.07 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 2tbd h ALA 107 Cb 0.63 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2tbd h ALA 107 CO 0.12 0.01 -0.90 -0.07 0.00 0.00 0.00 179.25 178.41 2tbd h LEU 108 N 0.00 0.32 -0.01 0.00 3.38 -1.13 -3.22 115.31 114.65 2tbd h LEU 108 Ca -0.00 -0.26 -0.22 0.00 0.09 0.00 0.00 57.88 57.49 2tbd h LEU 108 Cb 0.27 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2tbd h LEU 108 CO 0.00 1.07 -1.02 0.71 0.09 0.00 0.00 178.44 179.28 2tbd h THR 109 N 0.13 1.67 -3.30 0.22 1.35 -0.59 -3.34 112.91 109.05 2tbd h THR 109 Ca -0.05 -3.32 -0.56 0.00 -0.55 0.00 0.00 66.41 61.93 2tbd h THR 109 Cb 1.54 2.83 -0.04 0.00 -1.73 0.00 0.00 68.15 70.75 2tbd h THR 109 CO 0.14 0.95 -0.07 -0.60 -0.25 0.00 0.00 175.52 175.69 2tbd s ARG 110 N -2.74 4.03 0.89 4.72 3.52 -0.90 -4.65 118.95 123.81 2tbd s ARG 110 Ca 0.00 0.55 -0.17 0.00 -0.13 0.00 0.00 55.73 55.99 2tbd s ARG 110 Cb 0.10 -3.00 -0.12 0.00 -1.56 0.00 0.00 34.95 30.37 2tbd s ARG 110 CO 0.83 0.51 -0.43 -0.25 -0.81 0.00 0.00 175.30 175.15 2tbd n ASP 111 N 1.02 -4.77 -0.62 -2.12 8.00 -1.26 -2.20 116.55 114.59 2tbd n ASP 111 Ca -0.06 0.31 0.01 0.00 0.71 0.00 0.00 54.79 55.76 2tbd n ASP 111 Cb 0.52 -0.87 0.04 0.00 -0.02 0.00 0.00 41.12 40.79 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 1.54 1.41 -3.69 -0.24 -0.04 -1.26 -4.96 135.00 127.76 2tbd n PRO 112 Ca 0.02 -0.33 -0.37 0.00 -0.04 0.00 0.00 63.50 62.77 2tbd n PRO 112 Cb 0.54 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.23 3.23 0.70 0.54 0.08 -0.94 -4.84 117.98 115.53 2tbd s PHE 113 Ca 0.06 0.06 -0.02 0.00 0.12 0.00 0.00 56.93 57.14 2tbd s PHE 113 Cb 0.04 -2.29 0.11 0.00 -0.57 0.00 0.00 43.02 40.31 2tbd s PHE 113 CO 0.02 -0.09 0.97 -1.54 -0.10 0.00 0.00 175.22 174.49 2tbd s SER 114 N 1.35 4.51 -0.05 1.36 1.04 -0.94 -3.83 113.70 117.14 2tbd s SER 114 Ca 0.07 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.39 2tbd s SER 114 Cb -0.15 -0.33 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 2tbd s SER 114 CO 0.06 -1.74 -0.21 -0.69 0.98 0.00 0.00 173.24 171.64 2tbd s VAL 115 N -3.13 2.45 -0.09 5.02 1.01 -1.26 -2.28 120.40 122.11 2tbd s VAL 115 Ca 0.64 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 2tbd s VAL 115 Cb -0.07 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2tbd s VAL 115 CO 0.44 0.58 -0.22 -0.38 0.00 0.00 0.00 175.10 175.51 2tbd n ILE 116 N 2.66 1.19 -3.99 2.22 5.41 0.04 -4.86 119.36 122.03 2tbd n ILE 116 Ca -0.17 0.23 -0.10 0.00 1.00 0.00 0.00 62.75 63.71 2tbd n ILE 116 Cb 0.52 -2.04 -0.04 0.00 -0.71 0.00 0.00 39.64 37.37 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 -2.40 1.72 -0.24 0.38 8.01 -1.00 -4.96 118.70 120.21 2tbd s GLU 117 Ca -0.18 -1.39 -0.30 0.00 0.01 0.00 0.00 54.97 53.11 2tbd s GLU 117 Cb 0.03 0.49 0.17 0.00 -4.31 0.00 0.00 34.13 30.50 2tbd s GLU 117 CO 0.27 -0.73 1.23 -1.83 0.01 0.00 0.00 175.26 174.21 2tbd s GLU 118 N -3.59 0.26 0.25 1.61 1.03 -1.26 -1.22 118.70 115.79 2tbd s GLU 118 Ca 0.23 0.04 0.13 0.00 0.03 0.00 0.00 54.97 55.41 2tbd s GLU 118 Cb -0.01 0.12 0.11 0.00 -0.80 0.00 0.00 34.13 33.55 2tbd s GLU 118 CO 0.12 -0.08 1.46 0.66 -1.33 0.00 0.00 175.26 176.08 2tbd h SER 119 N 2.21 0.00 -3.92 0.83 4.64 -1.87 -3.45 113.55 111.99 2tbd h SER 119 Ca -0.11 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.74 2tbd h SER 119 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2tbd h SER 119 CO 0.25 0.62 0.24 -0.76 -0.87 0.00 0.00 176.83 176.30 2tbd s LEU 120 N -6.68 3.94 0.00 5.97 2.01 -1.26 -4.94 118.68 117.72 2tbd s LEU 120 Ca 0.02 1.48 0.29 0.00 0.01 0.00 0.00 54.13 55.93 2tbd s LEU 120 Cb 0.09 -4.33 1.61 0.00 0.01 0.00 0.00 46.19 43.57 2tbd s LEU 120 CO 0.76 -0.33 2.04 -0.81 1.01 0.00 0.00 176.35 179.01 2tbd n PRO 121 N -0.71 0.69 -2.70 1.29 -0.04 -1.26 -3.86 135.00 128.41 2tbd n PRO 121 Ca 0.05 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2tbd n PRO 121 Cb 0.54 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.96 1.91 7.00 0.55 0.00 -1.26 -5.14 105.19 109.22 2tbd n GLY 122 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.26 -0.43 0.00 -0.02 0.00 -1.25 -4.40 105.19 97.83 2tbd n GLY 123 Ca -0.12 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.84 0.99 4.77 -1.26 -4.60 117.00 116.05 2tbd n LEU 124 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2tbd n LEU 124 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2tbd n LEU 124 CO 0.00 0.00 -0.10 0.29 -1.33 0.00 0.00 177.39 176.25 2tbd n LYS 125 N 0.00 -1.67 -2.07 3.23 4.01 -1.26 -4.90 118.16 115.49 2tbd n LYS 125 Ca 0.00 0.79 -0.36 0.00 -0.51 0.00 0.00 58.31 58.22 2tbd n LYS 125 Cb 0.00 -5.08 0.02 0.00 -0.51 0.00 0.00 35.03 29.46 2tbd n LYS 125 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2tbd s GLU 126 N -2.73 3.26 -1.23 1.97 -6.30 -1.26 -4.89 118.70 107.51 2tbd s GLU 126 Ca 0.00 1.85 -0.05 0.00 -2.50 0.00 0.00 54.97 54.27 2tbd s GLU 126 Cb 0.00 -2.12 0.12 0.00 0.00 0.00 0.00 34.13 32.14 2tbd s GLU 126 CO 0.00 -0.98 2.40 0.72 0.02 0.00 0.00 175.26 177.42 2tbd n HIS 127 N -1.17 2.51 -1.99 5.30 8.25 -1.26 -3.99 115.22 122.86 2tbd n HIS 127 Ca 0.11 -2.73 -0.01 0.00 -0.26 0.00 0.00 57.72 54.83 2tbd n HIS 127 Cb 0.49 -1.77 -0.01 0.00 1.12 0.00 0.00 29.99 29.81 2tbd n HIS 127 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2tbd n ASP 128 N 1.57 -0.20 -2.17 0.41 9.92 -1.26 -5.13 116.55 119.68 2tbd n ASP 128 Ca 0.61 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.67 2tbd n ASP 128 Cb 0.27 0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2tbd n PHE 129 N 0.00 -2.03 -4.30 1.24 3.72 -1.26 -5.10 117.46 109.74 2tbd n PHE 129 Ca -0.06 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.13 2tbd n PHE 129 Cb 0.54 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.95 2tbd n PHE 129 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2tbd s ASN 130 N -1.00 2.02 0.78 4.37 0.01 -1.26 -5.14 114.94 114.72 2tbd s ASN 130 Ca 0.00 -0.59 -0.12 0.00 -0.71 0.00 0.00 52.86 51.44 2tbd s ASN 130 Cb 0.00 -0.11 0.06 0.00 0.41 0.00 0.00 41.25 41.61 2tbd s ASN 130 CO 0.00 0.02 1.12 -2.16 -1.51 0.00 0.00 177.10 174.57 2tbd s PRO 131 N -1.58 2.23 0.00 -0.60 0.04 -1.26 -4.99 135.00 128.84 2tbd s PRO 131 Ca 0.02 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.48 2tbd s PRO 131 Cb -0.09 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2tbd s PRO 131 CO 0.03 -1.47 0.00 -0.85 0.04 0.00 0.00 177.00 174.75 2tbd n GLU 132 N -3.29 0.00 -1.71 4.56 0.00 -1.26 -5.10 120.64 113.83 2tbd n GLU 132 Ca 0.07 0.00 -0.59 0.00 0.00 0.00 0.00 57.16 56.64 2tbd n GLU 132 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.94 2tbd n GLU 132 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2tbd n SER 133 N 0.00 2.14 0.00 -1.84 7.64 -1.26 -5.23 113.62 115.07 2tbd n SER 133 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2tbd n SER 133 Cb 0.00 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79