#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd h SER 2 N 0.00 0.27 -5.28 1.61 0.87 -2.13 -3.47 113.55 105.43 2tbd h SER 2 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2tbd h SER 2 Cb 0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2tbd h SER 2 CO 0.00 0.14 -1.07 0.29 -0.53 0.00 0.00 176.83 175.66 2tbd n LYS 3 N -4.44 -3.29 -0.93 2.24 5.02 -1.26 -4.87 118.16 110.63 2tbd n LYS 3 Ca 0.14 2.66 -0.37 0.00 -2.02 0.00 0.00 58.31 58.72 2tbd n LYS 3 Cb 0.58 -4.77 0.07 0.00 -0.02 0.00 0.00 35.03 30.88 2tbd n LYS 3 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2tbd n VAL 4 N 0.97 0.00 -2.15 -0.18 3.14 -1.26 -4.70 118.33 114.15 2tbd n VAL 4 Ca -0.07 -0.19 -0.43 0.00 -2.96 0.00 0.00 64.34 60.70 2tbd n VAL 4 Cb 0.16 -0.16 -0.03 0.00 -1.06 0.00 0.00 33.84 32.76 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 -2.38 3.37 0.63 1.45 8.01 -1.26 -4.96 118.70 123.56 2tbd s GLU 5 Ca 0.42 1.15 -0.18 0.00 0.01 0.00 0.00 54.97 56.37 2tbd s GLU 5 Cb -0.03 -4.14 -0.02 0.00 -4.31 0.00 0.00 34.13 25.63 2tbd s GLU 5 CO 0.70 -1.81 1.21 0.16 0.01 0.00 0.00 175.26 175.53 2tbd s ASP 6 N 5.35 4.92 0.02 -0.19 1.47 -1.26 -4.96 116.67 122.03 2tbd s ASP 6 Ca 0.71 2.37 -0.30 0.00 1.18 0.00 0.00 52.55 56.51 2tbd s ASP 6 Cb -0.18 -2.59 -0.04 0.00 -0.34 0.00 0.00 42.92 39.77 2tbd s ASP 6 CO 0.32 -1.77 1.06 -2.16 0.68 0.00 0.00 175.17 173.30 2tbd s PRO 7 N -3.52 4.51 0.00 2.11 0.04 -1.26 -4.93 135.00 131.95 2tbd s PRO 7 Ca 0.76 1.54 0.22 0.00 0.04 0.00 0.00 61.00 63.57 2tbd s PRO 7 Cb -0.30 -3.42 0.27 0.00 0.04 0.00 0.00 34.50 31.09 2tbd s PRO 7 CO 0.37 -0.13 1.27 1.17 0.04 0.00 0.00 177.00 179.72 2tbd n LYS 8 N 3.93 2.21 -3.92 4.56 0.00 -1.26 -4.88 118.16 118.80 2tbd n LYS 8 Ca 0.07 -1.99 0.02 0.00 0.00 0.00 0.00 58.31 56.42 2tbd n LYS 8 Cb 0.49 -1.45 0.01 0.00 0.00 0.00 0.00 35.03 34.09 2tbd n LYS 8 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2tbd s ASP 9 N -1.64 -0.00 0.85 3.14 -4.77 -1.26 -4.93 116.67 108.05 2tbd s ASP 9 Ca 0.30 -0.23 -0.10 0.00 -3.30 0.00 0.00 52.55 49.22 2tbd s ASP 9 Cb 0.20 0.17 0.10 0.00 -1.09 0.00 0.00 42.92 42.30 2tbd s ASP 9 CO 0.28 -0.34 1.11 -0.36 0.70 0.00 0.00 175.17 176.56 2tbd s PHE 10 N -2.09 2.14 0.60 2.11 0.08 -1.26 -5.00 117.98 114.56 2tbd s PHE 10 Ca 0.26 1.62 -0.14 0.00 0.12 0.00 0.00 56.93 58.80 2tbd s PHE 10 Cb 0.00 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 2tbd s PHE 10 CO -0.01 -2.30 1.03 -1.25 -0.10 0.00 0.00 175.22 172.59 2tbd s PRO 11 N -4.79 3.48 0.21 0.24 0.04 -1.26 -4.84 135.00 128.09 2tbd s PRO 11 Ca 0.64 0.96 -0.09 0.00 0.04 0.00 0.00 61.00 62.55 2tbd s PRO 11 Cb -0.20 -2.06 0.17 0.00 0.04 0.00 0.00 34.50 32.45 2tbd s PRO 11 CO 0.57 -0.66 1.83 0.66 0.04 0.00 0.00 177.00 179.45 2tbd h SER 12 N 0.11 1.00 -0.13 6.66 4.64 -1.97 0.27 113.55 124.14 2tbd h SER 12 Ca -0.45 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 60.81 2tbd h SER 12 Cb 1.20 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2tbd h SER 12 CO 0.60 0.81 0.14 1.05 -0.87 0.00 0.00 176.83 178.55 2tbd h GLU 13 N 1.11 0.00 0.00 4.77 4.11 -2.04 -0.34 114.58 122.19 2tbd h GLU 13 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2tbd h GLU 13 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2tbd h GLU 13 CO -0.05 0.00 -0.90 -0.11 0.07 0.00 0.00 179.01 178.03 2tbd n LEU 14 N -3.92 0.77 0.00 3.06 7.94 -0.53 -4.21 117.00 120.10 2tbd n LEU 14 Ca 0.00 -0.46 0.10 0.00 -1.11 0.00 0.00 56.01 54.54 2tbd n LEU 14 Cb 0.25 0.00 0.56 0.00 0.53 0.00 0.00 43.42 44.76 2tbd n LEU 14 CO 0.29 0.19 0.81 0.18 -1.11 0.00 0.00 177.39 177.75 2tbd n LEU 15 N -1.46 0.00 0.22 -1.96 4.77 0.86 -3.08 117.00 116.35 2tbd n LEU 15 Ca 0.03 0.14 0.15 0.00 -0.03 0.00 0.00 56.01 56.30 2tbd n LEU 15 Cb 0.29 -0.14 0.80 0.00 -2.33 0.00 0.00 43.42 42.04 2tbd n LEU 15 CO 0.36 -0.05 0.95 0.28 -1.33 0.00 0.00 177.39 177.60 2tbd h SER 16 N 0.00 0.00 -1.56 -1.43 0.02 -1.72 -3.33 113.55 105.52 2tbd h SER 16 Ca 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 2tbd h SER 16 Cb 0.09 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.37 2tbd h SER 16 CO 0.00 0.00 -0.60 0.72 -1.14 0.00 0.00 176.83 175.81 2tbd s PHE 17 N -3.75 -0.84 0.00 3.45 -0.12 -1.18 -5.06 117.98 110.49 2tbd s PHE 17 Ca -0.03 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 56.35 2tbd s PHE 17 Cb 0.09 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.36 2tbd s PHE 17 CO 0.28 -1.06 0.00 1.28 -0.05 0.00 0.00 175.22 175.67 2tbd n LEU 18 N 4.14 0.00 -0.03 -1.99 7.99 -1.25 -4.55 117.00 121.31 2tbd n LEU 18 Ca 0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 56.10 2tbd n LEU 18 Cb 0.50 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.78 2tbd n LEU 18 CO 0.05 0.00 -0.67 -1.54 -1.51 0.00 0.00 177.39 173.72 2tbd n SER 19 N -0.08 3.74 -4.00 -1.43 3.41 -1.22 -3.55 113.62 110.49 2tbd n SER 19 Ca 0.00 -0.01 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 2tbd n SER 19 Cb 0.00 0.46 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2tbd n HIS 20 N -2.29 -1.50 0.00 7.33 8.25 -1.26 -4.91 115.22 120.84 2tbd n HIS 20 Ca -0.09 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2tbd n HIS 20 Cb 0.65 -2.93 0.00 0.00 1.12 0.00 0.00 29.99 28.83 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2tbd n ALA 21 N -4.88 0.00 -0.01 -1.41 0.00 -1.26 -5.02 120.51 107.93 2tbd n ALA 21 Ca -0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.35 2tbd n ALA 21 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 0.85 -1.24 0.00 0.31 -1.26 -4.15 118.33 112.84 2tbd n VAL 22 Ca 0.00 -0.67 -0.02 0.00 -0.01 0.00 0.00 64.34 63.64 2tbd n VAL 22 Cb 0.00 -0.42 0.23 0.00 -0.91 0.00 0.00 33.84 32.74 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 -2.65 1.36 -0.93 3.52 3.01 -1.26 -1.58 117.46 118.93 2tbd n PHE 23 Ca -0.13 -1.35 -0.35 0.00 1.01 0.00 0.00 57.45 56.63 2tbd n PHE 23 Cb 0.82 -0.50 0.07 0.00 -0.01 0.00 0.00 39.48 39.86 2tbd n PHE 23 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2tbd n SER 24 N -0.83 -4.53 -0.77 4.37 2.88 -1.26 -4.86 113.62 108.62 2tbd n SER 24 Ca 0.33 0.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.17 2tbd n SER 24 Cb 1.09 -0.85 0.14 0.00 -0.75 0.00 0.00 64.21 63.84 2tbd n SER 24 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2tbd n ASN 25 N 2.03 2.53 -5.00 -3.46 5.15 -1.26 -4.89 115.26 110.37 2tbd n ASN 25 Ca 0.00 -1.79 -0.18 0.00 -0.60 0.00 0.00 54.58 52.01 2tbd n ASN 25 Cb 0.58 0.11 0.01 0.00 -0.53 0.00 0.00 39.78 39.95 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2tbd s ARG 26 N -2.12 2.72 -0.42 1.20 3.52 -1.26 -5.08 118.95 117.51 2tbd s ARG 26 Ca 0.27 -1.34 0.04 0.00 -0.13 0.00 0.00 55.73 54.57 2tbd s ARG 26 Cb 0.20 -2.69 0.11 0.00 -1.56 0.00 0.00 34.95 31.01 2tbd s ARG 26 CO 0.37 -0.34 0.15 0.95 -0.81 0.00 0.00 175.30 175.62 2tbd s THR 27 N -2.41 2.23 0.63 4.11 -4.23 -1.26 -4.57 115.64 110.14 2tbd s THR 27 Ca 0.55 -2.68 -0.08 0.00 -1.18 0.00 0.00 61.69 58.30 2tbd s THR 27 Cb -0.09 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2tbd s THR 27 CO 0.33 -0.71 0.97 -0.76 -0.54 0.00 0.00 174.62 173.91 2tbd s LEU 28 N 0.44 3.14 0.00 4.79 1.02 -0.24 -4.18 118.68 123.66 2tbd s LEU 28 Ca 0.14 0.92 0.01 0.00 0.02 0.00 0.00 54.13 55.22 2tbd s LEU 28 Cb -0.22 -3.75 0.02 0.00 0.02 0.00 0.00 46.19 42.26 2tbd s LEU 28 CO -0.05 -1.12 0.80 0.00 0.02 0.00 0.00 176.35 176.00 2tbd n ALA 29 N -2.72 2.25 -2.39 4.21 0.00 -1.26 -2.10 120.51 118.50 2tbd n ALA 29 Ca 0.05 -0.78 -0.28 0.00 0.00 0.00 0.00 53.44 52.43 2tbd n ALA 29 Cb 0.57 -0.05 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.66 0.05 -0.27 0.00 0.40 -0.97 -1.15 117.98 115.38 2tbd s PHE 31 Ca 0.09 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 2tbd s PHE 31 Cb -0.09 -0.03 0.07 0.00 0.51 0.00 0.00 43.02 43.48 2tbd s PHE 31 CO 0.00 -0.43 -0.07 0.00 0.70 0.00 0.00 175.22 175.43 2tbd s ALA 32 N -2.57 2.49 -1.00 5.36 0.00 -0.68 -2.59 121.76 122.77 2tbd s ALA 32 Ca -0.05 -1.82 -0.18 0.00 0.00 0.00 0.00 51.96 49.91 2tbd s ALA 32 Cb -0.01 -1.63 0.14 0.00 0.00 0.00 0.00 23.12 21.62 2tbd s ALA 32 CO -0.04 -1.30 1.22 0.42 0.00 0.00 0.00 175.76 176.06 2tbd s ILE 33 N 1.13 4.77 -0.64 0.00 1.01 -0.88 -2.18 121.20 124.42 2tbd s ILE 33 Ca -0.04 -1.80 -0.25 0.00 0.00 0.00 0.00 60.65 58.55 2tbd s ILE 33 Cb -0.20 -4.82 0.04 0.00 0.01 0.00 0.00 42.46 37.49 2tbd s ILE 33 CO -0.06 -1.55 1.10 -0.47 0.00 0.00 0.00 174.94 173.95 2tbd s TYR 34 N 2.52 2.57 0.37 3.97 5.04 -0.61 -1.68 117.35 129.53 2tbd s TYR 34 Ca 0.36 -0.08 -0.11 0.00 -2.44 0.00 0.00 57.07 54.79 2tbd s TYR 34 Cb -0.04 -4.38 0.04 0.00 0.35 0.00 0.00 41.96 37.93 2tbd s TYR 34 CO -0.07 -1.69 0.68 0.95 -1.34 0.00 0.00 175.55 174.08 2tbd s THR 35 N 4.70 0.00 0.57 4.34 -4.23 -0.73 -0.55 115.64 119.74 2tbd s THR 35 Ca 0.32 -1.21 -0.18 0.00 -1.18 0.00 0.00 61.69 59.44 2tbd s THR 35 Cb -0.11 -2.78 -0.08 0.00 1.34 0.00 0.00 72.50 70.86 2tbd s THR 35 CO 0.17 0.00 0.54 0.35 -0.54 0.00 0.00 174.62 175.14 2tbd n THR 36 N -0.54 2.32 -0.27 3.99 -2.24 -1.26 -1.40 114.28 114.88 2tbd n THR 36 Ca -0.05 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.20 2tbd n THR 36 Cb 0.60 -0.70 0.13 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.23 1.13 -0.19 -0.78 2.10 -1.86 -1.11 116.57 116.09 2tbd h LYS 37 Ca -0.46 -0.14 0.05 0.00 -2.00 0.00 0.00 60.65 58.10 2tbd h LYS 37 Cb 1.40 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2tbd h LYS 37 CO 0.47 0.85 0.34 1.49 -2.00 0.00 0.00 179.45 180.59 2tbd h GLU 38 N 1.13 0.00 0.00 0.07 4.57 -2.00 -0.41 114.58 117.94 2tbd h GLU 38 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2tbd h GLU 38 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2tbd h GLU 38 CO -0.04 0.00 -0.34 -0.22 -1.18 0.00 0.00 179.01 177.23 2tbd h LYS 39 N 0.00 0.00 0.00 1.92 3.64 -1.53 -3.33 116.57 117.27 2tbd h LYS 39 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2tbd h LYS 39 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2tbd h LYS 39 CO -0.00 0.00 0.46 0.00 -2.27 0.00 0.00 179.45 177.64 2tbd h ALA 40 N -1.20 1.46 0.12 5.00 0.00 -1.23 -0.15 119.26 123.27 2tbd h ALA 40 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2tbd h ALA 40 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2tbd h ALA 40 CO 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 179.25 178.74 2tbd h ALA 41 N 1.08 -0.16 0.00 0.00 0.00 -1.20 0.16 119.26 119.13 2tbd h ALA 41 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2tbd h ALA 41 Cb 0.92 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2tbd h ALA 41 CO 0.00 -0.34 -0.38 1.37 0.00 0.00 0.00 179.25 179.90 2tbd h LEU 42 N -0.67 0.00 0.00 0.00 8.10 -1.17 -2.57 115.31 119.00 2tbd h LEU 42 Ca -0.02 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.91 2tbd h LEU 42 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 2tbd h LEU 42 CO 0.03 0.38 -0.34 -0.07 -4.11 0.00 0.00 178.44 174.33 2tbd h LEU 43 N 0.00 0.00 0.68 0.17 3.38 -1.24 -2.76 115.31 115.53 2tbd h LEU 43 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2tbd h LEU 43 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2tbd h LEU 43 CO 0.05 0.32 -0.32 0.22 0.09 0.00 0.00 178.44 178.79 2tbd h TYR 44 N 0.00 -0.84 0.00 1.13 5.03 -0.25 -1.19 116.97 120.85 2tbd h TYR 44 Ca -0.01 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.22 2tbd h TYR 44 Cb 1.25 0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.80 2tbd h TYR 44 CO 0.00 -0.49 -0.30 0.87 -1.32 0.00 0.00 178.16 176.92 2tbd h LYS 45 N -1.09 0.00 0.00 1.82 1.57 -1.66 -2.25 116.57 114.95 2tbd h LYS 45 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2tbd h LYS 45 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2tbd h LYS 45 CO 0.15 0.30 0.00 1.63 -0.57 0.00 0.00 179.45 180.96 2tbd n LYS 46 N -3.70 0.00 0.12 3.15 4.76 -1.04 -3.38 118.16 118.08 2tbd n LYS 46 Ca -0.01 0.47 0.19 0.00 -2.87 0.00 0.00 58.31 56.10 2tbd n LYS 46 Cb 0.41 -1.23 0.77 0.00 -1.84 0.00 0.00 35.03 33.13 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 0.42 -1.71 -0.18 2.04 -1.32 -2.02 117.51 114.76 2tbd h ILE 47 Ca 0.00 0.00 0.50 0.00 1.00 0.00 0.00 64.86 66.36 2tbd h ILE 47 Cb 0.00 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 36.72 2tbd h ILE 47 CO 0.00 0.00 1.22 -0.03 0.00 0.00 0.00 178.15 179.34 2tbd h MET 48 N 0.00 0.01 0.00 2.37 4.05 -1.41 -0.16 114.93 119.79 2tbd h MET 48 Ca 0.16 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2tbd h MET 48 Cb 0.89 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 2tbd h MET 48 CO -0.00 0.01 0.00 0.39 0.23 0.00 0.00 176.91 177.53 2tbd n GLU 49 N -4.07 -0.25 0.09 0.39 4.71 -0.78 -4.18 120.64 116.54 2tbd n GLU 49 Ca 0.39 -0.36 0.12 0.00 -0.01 0.00 0.00 57.16 57.30 2tbd n GLU 49 Cb 1.76 -0.76 0.01 0.00 -1.01 0.00 0.00 31.44 31.44 2tbd n GLU 49 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2tbd n LYS 50 N -0.03 0.54 -0.32 3.49 4.81 -0.11 -4.38 118.16 122.15 2tbd n LYS 50 Ca 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2tbd n LYS 50 Cb 0.15 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.43 2tbd n LYS 50 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2tbd n TYR 51 N -2.52 0.00 -3.98 5.64 4.02 -0.95 -4.99 117.16 114.38 2tbd n TYR 51 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 2tbd n TYR 51 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.83 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2tbd n SER 52 N 0.00 -1.45 -0.05 7.72 7.64 -1.25 -3.63 113.62 122.60 2tbd n SER 52 Ca 0.00 -1.09 0.05 0.00 1.01 0.00 0.00 58.87 58.84 2tbd n SER 52 Cb 0.61 -2.70 0.09 0.00 -1.01 0.00 0.00 64.21 61.20 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 -0.06 -0.91 0.44 0.24 -1.24 -4.06 118.33 108.25 2tbd n VAL 53 Ca -0.25 0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2tbd n VAL 53 Cb 0.66 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 2tbd n VAL 53 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2tbd n THR 54 N -3.38 0.00 0.00 3.34 -1.04 -1.26 -0.30 114.28 111.64 2tbd n THR 54 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2tbd n THR 54 Cb 0.19 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 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 -2.33 0.00 -3.92 -1.42 7.35 -1.26 -4.79 117.46 111.08 2tbd n PHE 55 Ca 0.00 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 2tbd n PHE 55 Cb 0.15 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.83 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 1.87 0.26 -2.13 2.07 -1.24 -2.27 121.20 119.75 2tbd s ILE 56 Ca 0.00 -2.14 0.08 0.00 -1.41 0.00 0.00 60.65 57.18 2tbd s ILE 56 Cb 0.00 -2.38 -0.04 0.00 0.13 0.00 0.00 42.46 40.17 2tbd s ILE 56 CO 0.00 -0.64 0.13 -0.94 -1.91 0.00 0.00 174.94 171.58 2tbd s SER 57 N 1.02 5.16 -0.27 4.50 1.04 -0.29 -2.79 113.70 122.07 2tbd s SER 57 Ca 0.11 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.14 2tbd s SER 57 Cb -0.19 -1.18 0.08 0.00 0.10 0.00 0.00 66.02 64.83 2tbd s SER 57 CO -0.12 -0.05 0.00 -0.60 0.98 0.00 0.00 173.24 173.45 2tbd s ARG 58 N -3.79 1.35 0.57 4.02 3.52 -0.35 -0.89 118.95 123.36 2tbd s ARG 58 Ca 0.33 -1.15 0.07 0.00 -0.13 0.00 0.00 55.73 54.85 2tbd s ARG 58 Cb -0.07 -2.55 0.06 0.00 -1.56 0.00 0.00 34.95 30.83 2tbd s ARG 58 CO 0.23 -0.75 0.58 -1.01 -0.81 0.00 0.00 175.30 173.54 2tbd s HIS 59 N 1.37 1.46 -0.02 5.12 3.76 -1.05 -0.88 115.29 125.05 2tbd s HIS 59 Ca 0.01 -0.81 0.07 0.00 -0.15 0.00 0.00 55.06 54.18 2tbd s HIS 59 Cb -0.18 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 2tbd s HIS 59 CO -0.11 -0.80 -0.24 -0.80 -0.85 0.00 0.00 174.74 171.94 2tbd s ASN 60 N -4.46 2.82 0.01 1.40 0.02 -0.96 -1.40 114.94 112.37 2tbd s ASN 60 Ca 0.45 -0.44 -0.05 0.00 -1.02 0.00 0.00 52.86 51.80 2tbd s ASN 60 Cb -0.04 -0.38 -0.02 0.00 0.02 0.00 0.00 41.25 40.83 2tbd s ASN 60 CO 0.29 0.28 -0.10 -0.24 0.02 0.00 0.00 177.10 177.35 2tbd n SER 61 N 2.57 1.32 0.18 -1.22 2.88 -1.02 -2.14 113.62 116.19 2tbd n SER 61 Ca -0.16 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2tbd n SER 61 Cb 0.52 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2tbd n TYR 62 N -3.76 -3.70 -0.07 0.66 4.01 -1.26 -4.82 117.16 108.23 2tbd n TYR 62 Ca -0.05 1.07 0.00 0.00 -0.16 0.00 0.00 57.90 58.76 2tbd n TYR 62 Cb 0.18 2.57 0.00 0.00 -0.31 0.00 0.00 39.34 41.78 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 -3.33 1.09 -1.25 7.72 3.02 -1.26 -5.07 115.26 116.19 2tbd n ASN 63 Ca 0.00 -1.16 -0.02 0.00 -0.03 0.00 0.00 54.58 53.37 2tbd n ASN 63 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.08 -0.59 -4.43 3.10 8.25 -1.26 -4.79 115.22 115.42 2tbd n HIS 64 Ca 0.00 -0.29 -0.26 0.00 -0.26 0.00 0.00 57.72 56.91 2tbd n HIS 64 Cb 0.06 0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.27 4.04 -0.29 0.41 0.02 -0.49 -2.43 114.94 114.94 2tbd s ASN 65 Ca 0.04 -1.18 0.02 0.00 -1.02 0.00 0.00 52.86 50.72 2tbd s ASN 65 Cb -0.00 -0.44 0.08 0.00 0.02 0.00 0.00 41.25 40.91 2tbd s ASN 65 CO 0.03 -0.37 -0.02 -0.63 0.02 0.00 0.00 177.10 176.13 2tbd s ILE 66 N -2.62 1.93 -0.78 0.60 1.09 -0.49 -1.78 121.20 119.15 2tbd s ILE 66 Ca 0.36 -1.77 -0.26 0.00 -1.10 0.00 0.00 60.65 57.87 2tbd s ILE 66 Cb 0.05 -2.25 0.03 0.00 -1.06 0.00 0.00 42.46 39.23 2tbd s ILE 66 CO 0.19 -0.31 1.32 -0.22 -0.10 0.00 0.00 174.94 175.81 2tbd s LEU 67 N 1.15 3.22 -0.52 2.97 2.96 -0.67 -2.54 118.68 125.24 2tbd s LEU 67 Ca 0.01 -0.60 -0.26 0.00 -0.22 0.00 0.00 54.13 53.05 2tbd s LEU 67 Cb -0.19 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 43.97 2tbd s LEU 67 CO -0.08 -1.80 1.01 0.12 -1.32 0.00 0.00 176.35 174.28 2tbd s PHE 68 N 5.68 2.80 -0.07 5.38 5.36 -0.07 -2.06 117.98 135.00 2tbd s PHE 68 Ca 0.37 0.30 0.02 0.00 -0.96 0.00 0.00 56.93 56.67 2tbd s PHE 68 Cb -0.07 -4.17 0.01 0.00 -0.34 0.00 0.00 43.02 38.46 2tbd s PHE 68 CO 0.11 -1.30 -0.12 -0.59 -1.46 0.00 0.00 175.22 171.86 2tbd s PHE 69 N 4.14 1.47 0.27 10.12 -0.71 -1.07 -1.14 117.98 131.07 2tbd s PHE 69 Ca 0.37 -0.57 -0.02 0.00 -1.04 0.00 0.00 56.93 55.68 2tbd s PHE 69 Cb -0.10 -1.10 0.06 0.00 -1.21 0.00 0.00 43.02 40.67 2tbd s PHE 69 CO 0.25 -0.31 0.38 1.28 -1.34 0.00 0.00 175.22 175.47 2tbd n LEU 70 N 3.97 0.00 -3.58 -1.99 4.32 0.59 -2.29 117.00 118.02 2tbd n LEU 70 Ca -0.22 -0.67 -0.15 0.00 -0.02 0.00 0.00 56.01 54.95 2tbd n LEU 70 Cb 0.51 -0.26 -0.06 0.00 -1.62 0.00 0.00 43.42 41.99 2tbd n LEU 70 CO 0.24 -0.71 0.47 0.42 -1.22 0.00 0.00 177.39 176.59 2tbd s THR 71 N -1.19 0.00 0.00 -5.08 -4.23 0.50 -3.69 115.64 101.95 2tbd s THR 71 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2tbd s THR 71 Cb -0.01 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2tbd s THR 71 CO 0.16 0.00 0.11 -0.81 -0.54 0.00 0.00 174.62 173.54 2tbd n PRO 72 N 1.84 0.00 -0.60 3.99 -0.04 -1.24 -4.66 135.00 134.29 2tbd n PRO 72 Ca -0.16 0.42 -0.31 0.00 -0.04 0.00 0.00 63.50 63.41 2tbd n PRO 72 Cb 0.56 -0.97 0.20 0.00 -0.04 0.00 0.00 33.50 33.25 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 -1.75 -1.23 -4.01 0.54 1.44 -1.26 -4.93 115.22 104.02 2tbd n HIS 73 Ca 0.00 0.03 -0.33 0.00 -2.01 0.00 0.00 57.72 55.42 2tbd n HIS 73 Cb 0.00 -1.67 -0.06 0.00 0.12 0.00 0.00 29.99 28.38 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 -3.93 3.22 0.23 -1.40 3.00 -1.26 -4.66 118.95 114.15 2tbd s ARG 74 Ca 0.62 -0.42 -0.04 0.00 0.00 0.00 0.00 55.73 55.88 2tbd s ARG 74 Cb -0.19 -2.96 -0.02 0.00 0.00 0.00 0.00 34.95 31.77 2tbd s ARG 74 CO 0.65 0.66 0.28 -1.01 0.00 0.00 0.00 175.30 175.88 2tbd s HIS 75 N -1.26 0.93 -0.02 -0.53 0.09 -0.89 -4.95 115.29 108.66 2tbd s HIS 75 Ca 0.25 -1.18 0.00 0.00 -0.00 0.00 0.00 55.06 54.13 2tbd s HIS 75 Cb -0.12 -0.29 -0.04 0.00 -0.00 0.00 0.00 32.58 32.13 2tbd s HIS 75 CO 0.17 -0.81 0.03 0.50 -0.00 0.00 0.00 174.74 174.63 2tbd s ARG 76 N -3.99 2.93 0.66 1.40 3.52 -1.26 -1.08 118.95 121.14 2tbd s ARG 76 Ca 0.33 -0.52 0.27 0.00 -0.13 0.00 0.00 55.73 55.68 2tbd s ARG 76 Cb 0.04 -2.77 1.46 0.00 -1.56 0.00 0.00 34.95 32.12 2tbd s ARG 76 CO 0.13 0.65 1.83 0.28 -0.81 0.00 0.00 175.30 177.37 2tbd h VAL 77 N 3.53 0.04 -0.21 7.11 2.07 -1.84 0.28 116.25 127.23 2tbd h VAL 77 Ca -0.49 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 2tbd h VAL 77 Cb 1.18 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2tbd h VAL 77 CO 0.59 0.00 -0.15 0.77 0.02 0.00 0.00 177.57 178.79 2tbd h SER 78 N 0.00 0.49 0.61 0.57 4.64 -1.64 0.23 113.55 118.46 2tbd h SER 78 Ca 0.02 -0.45 -0.03 0.00 -0.47 0.00 0.00 61.79 60.87 2tbd h SER 78 Cb 0.85 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2tbd h SER 78 CO -0.00 0.83 -0.29 0.00 -0.87 0.00 0.00 176.83 176.50 2tbd h ALA 79 N 0.67 -0.87 -0.46 5.18 0.00 -0.78 -1.65 119.26 121.36 2tbd h ALA 79 Ca 0.04 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2tbd h ALA 79 Cb 0.67 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2tbd h ALA 79 CO 0.04 -0.81 0.43 0.82 0.00 0.00 0.00 179.25 179.73 2tbd h ILE 80 N -1.14 0.46 0.03 0.00 1.08 -1.52 0.10 117.51 116.52 2tbd h ILE 80 Ca -0.08 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2tbd h ILE 80 Cb 0.62 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 2tbd h ILE 80 CO 0.14 0.00 -0.01 -1.13 -0.69 0.00 0.00 178.15 176.45 2tbd h ASN 81 N 0.00 -0.03 -0.05 1.72 -0.73 -0.15 -1.28 115.58 115.06 2tbd h ASN 81 Ca 0.22 -0.25 0.01 0.00 1.87 0.00 0.00 56.30 58.16 2tbd h ASN 81 Cb 1.08 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.68 2tbd h ASN 81 CO -0.00 0.23 0.38 -1.13 -0.37 0.00 0.00 177.43 176.54 2tbd h ASN 82 N -0.29 0.00 0.00 1.15 -0.73 0.17 0.24 115.58 116.11 2tbd h ASN 82 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2tbd h ASN 82 Cb 0.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.87 2tbd h ASN 82 CO 0.01 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.07 2tbd n TYR 83 N -2.96 0.00 -0.27 0.67 9.36 -0.58 -3.19 117.16 120.19 2tbd n TYR 83 Ca -0.01 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.29 2tbd n TYR 83 Cb 0.44 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 39.37 2tbd n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2tbd h ALA 84 N -2.00 1.14 -0.55 2.98 0.00 -1.31 0.31 119.26 119.83 2tbd h ALA 84 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2tbd h ALA 84 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2tbd h ALA 84 CO 0.00 -0.31 0.29 0.37 0.00 0.00 0.00 179.25 179.60 2tbd h GLN 85 N 0.35 0.76 0.00 0.00 5.75 -0.69 -0.35 115.11 120.93 2tbd h GLN 85 Ca 0.46 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.88 2tbd h GLN 85 Cb 0.81 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 2tbd h GLN 85 CO -0.50 0.56 -0.05 0.87 -2.65 0.00 0.00 178.83 177.07 2tbd h LYS 86 N 0.76 0.00 -2.05 1.69 1.79 -0.35 -2.76 116.57 115.66 2tbd h LYS 86 Ca 0.19 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.16 2tbd h LYS 86 Cb 0.04 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.52 2tbd h LYS 86 CO -0.03 0.05 0.51 1.28 -1.08 0.00 0.00 179.45 180.18 2tbd n LEU 87 N -3.46 6.53 -2.04 2.94 4.77 -0.14 -4.40 117.00 121.21 2tbd n LEU 87 Ca -0.02 -4.09 -0.18 0.00 -0.03 0.00 0.00 56.01 51.70 2tbd n LEU 87 Cb 0.17 -1.25 0.04 0.00 -2.33 0.00 0.00 43.42 40.05 2tbd n LEU 87 CO 0.27 1.76 0.16 0.00 -1.33 0.00 0.00 177.39 178.24 2tbd n THR 89 N -0.70 0.91 -1.81 0.00 -2.24 -1.26 -4.49 114.28 104.69 2tbd n THR 89 Ca 0.36 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2tbd n THR 89 Cb 0.93 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.52 0.00 0.00 4.78 -1.74 -1.26 -5.11 117.46 114.65 2tbd n PHE 90 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.00 2tbd n PHE 90 Cb 0.41 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.40 2tbd n PHE 90 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2tbd n SER 91 N 0.00 0.00 -4.05 5.98 3.41 -1.26 -5.02 113.62 112.68 2tbd n SER 91 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2tbd n SER 91 Cb 0.64 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.86 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2tbd s PHE 92 N -2.00 0.52 -0.27 7.33 -0.71 -1.26 -4.67 117.98 116.92 2tbd s PHE 92 Ca 0.00 0.91 -0.23 0.00 -1.04 0.00 0.00 56.93 56.57 2tbd s PHE 92 Cb 0.00 -3.01 0.07 0.00 -1.21 0.00 0.00 43.02 38.88 2tbd s PHE 92 CO 0.00 -4.40 0.73 -1.17 -1.34 0.00 0.00 175.22 169.04 2tbd s LEU 93 N -7.52 -0.78 -0.52 -1.99 0.20 -1.26 -4.36 118.68 102.45 2tbd s LEU 93 Ca 0.69 1.44 0.07 0.00 0.69 0.00 0.00 54.13 57.01 2tbd s LEU 93 Cb -0.20 2.42 0.27 0.00 -0.43 0.00 0.00 46.19 48.25 2tbd s LEU 93 CO 0.62 -0.24 0.69 -0.38 -0.29 0.00 0.00 176.35 176.75 2tbd n ILE 94 N 3.04 1.18 -3.01 6.68 -0.00 0.28 -4.98 119.36 122.54 2tbd n ILE 94 Ca -0.15 -4.79 -0.43 0.00 -0.00 0.00 0.00 62.75 57.38 2tbd n ILE 94 Cb 0.56 -1.82 -0.06 0.00 -0.00 0.00 0.00 39.64 38.33 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 3.10 0.48 0.97 0.00 -0.14 -0.92 -4.96 119.74 118.26 2tbd s LYS 96 Ca 0.28 -0.04 -0.16 0.00 -1.36 0.00 0.00 55.97 54.69 2tbd s LYS 96 Cb -0.13 -0.56 0.06 0.00 -1.68 0.00 0.00 37.83 35.52 2tbd s LYS 96 CO 0.20 -0.06 -0.19 0.41 -0.76 0.00 0.00 175.35 174.95 2tbd n GLY 97 N 3.82 -2.39 2.87 -3.33 0.00 -1.26 -1.68 105.19 103.22 2tbd n GLY 97 Ca -0.23 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.09 0.17 -0.14 1.61 1.01 -0.30 -3.43 120.40 117.23 2tbd s VAL 98 Ca 0.36 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 2tbd s VAL 98 Cb -0.03 -0.20 -0.25 0.00 0.00 0.00 0.00 36.38 35.90 2tbd s VAL 98 CO 0.44 0.09 0.30 0.59 0.00 0.00 0.00 175.10 176.51 2tbd n ASN 99 N 3.48 2.10 -4.26 3.32 3.02 -1.23 -4.58 115.26 117.11 2tbd n ASN 99 Ca -0.19 0.18 -0.44 0.00 -0.03 0.00 0.00 54.58 54.11 2tbd n ASN 99 Cb 0.55 -0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 38.86 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2tbd s LYS 100 N -2.55 3.30 0.00 3.52 1.02 -1.26 -4.94 119.74 118.83 2tbd s LYS 100 Ca -0.24 -2.48 0.00 0.00 0.02 0.00 0.00 55.97 53.27 2tbd s LYS 100 Cb 0.07 -4.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 2tbd s LYS 100 CO 0.74 -1.26 0.58 0.39 -0.92 0.00 0.00 175.35 174.89 2tbd n GLU 101 N 3.83 0.00 -0.34 1.68 1.02 -1.26 -1.11 120.64 124.46 2tbd n GLU 101 Ca 0.12 0.40 0.15 0.00 -0.02 0.00 0.00 57.16 57.81 2tbd n GLU 101 Cb 0.44 -1.22 0.30 0.00 -0.02 0.00 0.00 31.44 30.94 2tbd n GLU 101 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2tbd h TYR 102 N 0.00 -0.03 0.00 -0.32 5.03 -1.92 -1.83 116.97 117.90 2tbd h TYR 102 Ca 0.00 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2tbd h TYR 102 Cb 0.00 0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.46 2tbd h TYR 102 CO 0.12 -0.44 0.00 1.28 -1.32 0.00 0.00 178.16 177.80 2tbd n LEU 103 N -5.49 0.21 -0.25 2.82 4.77 -1.23 -1.54 117.00 116.30 2tbd n LEU 103 Ca 0.24 0.72 0.06 0.00 -0.03 0.00 0.00 56.01 57.00 2tbd n LEU 103 Cb 0.77 -0.40 0.14 0.00 -2.33 0.00 0.00 43.42 41.60 2tbd n LEU 103 CO -0.07 -0.40 0.49 0.80 -1.33 0.00 0.00 177.39 176.88 2tbd n MET 104 N -1.71 -0.06 -0.04 3.23 1.56 -0.26 0.15 117.12 119.99 2tbd n MET 104 Ca 0.00 1.06 -0.12 0.00 -0.27 0.00 0.00 57.70 58.38 2tbd n MET 104 Cb 0.00 -1.63 -0.06 0.00 2.15 0.00 0.00 33.22 33.68 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 0.24 0.16 1.12 3.20 -1.40 -1.24 116.97 119.04 2tbd h TYR 105 Ca 0.36 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.20 2tbd h TYR 105 Cb 0.64 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 2tbd h TYR 105 CO -0.47 0.43 -0.47 0.66 -1.64 0.00 0.00 178.16 176.68 2tbd h SER 106 N -0.02 -1.39 -0.03 -2.11 4.64 0.25 0.31 113.55 115.20 2tbd h SER 106 Ca 0.04 0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.51 2tbd h SER 106 Cb 0.33 0.50 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2tbd h SER 106 CO 0.00 -0.51 0.11 0.00 -0.87 0.00 0.00 176.83 175.57 2tbd h ALA 107 N -0.71 1.26 -0.03 5.18 0.00 -1.23 0.33 119.26 124.05 2tbd h ALA 107 Ca -0.01 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2tbd h ALA 107 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2tbd h ALA 107 CO -0.23 -0.13 -0.79 -0.07 0.00 0.00 0.00 179.25 178.03 2tbd h LEU 108 N 0.00 0.34 -0.03 0.00 3.38 0.80 -3.11 115.31 116.69 2tbd h LEU 108 Ca 0.01 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 2tbd h LEU 108 Cb 0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2tbd h LEU 108 CO -0.00 1.00 -0.36 0.71 0.09 0.00 0.00 178.44 179.88 2tbd h THR 109 N 0.17 0.62 -3.29 0.22 1.35 0.82 -3.33 112.91 109.47 2tbd h THR 109 Ca -0.04 -1.86 -0.57 0.00 -0.55 0.00 0.00 66.41 63.39 2tbd h THR 109 Cb 1.38 2.29 -0.05 0.00 -1.73 0.00 0.00 68.15 70.05 2tbd h THR 109 CO 0.13 0.35 -0.01 -0.13 -0.25 0.00 0.00 175.52 175.61 2tbd s ARG 110 N -3.04 4.29 0.86 4.72 1.81 -0.93 -4.67 118.95 122.00 2tbd s ARG 110 Ca 0.05 0.76 -0.17 0.00 -1.72 0.00 0.00 55.73 54.65 2tbd s ARG 110 Cb 0.07 -3.30 -0.11 0.00 -0.45 0.00 0.00 34.95 31.15 2tbd s ARG 110 CO 0.72 0.47 -0.37 -0.40 -0.68 0.00 0.00 175.30 175.03 2tbd n ASP 111 N 2.35 -4.55 0.00 0.23 5.75 -1.26 -2.06 116.55 117.00 2tbd n ASP 111 Ca -0.08 0.34 0.01 0.00 -0.01 0.00 0.00 54.79 55.05 2tbd n ASP 111 Cb 0.51 -0.88 0.06 0.00 -1.03 0.00 0.00 41.12 39.77 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2tbd n PRO 112 N 1.42 0.99 -3.00 0.11 -0.04 -1.26 -5.00 135.00 128.22 2tbd n PRO 112 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 2tbd n PRO 112 Cb 0.53 -1.03 -0.05 0.00 -0.04 0.00 0.00 33.50 32.91 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 3.18 0.74 0.54 0.08 -0.88 -4.80 117.98 114.83 2tbd s PHE 113 Ca 0.03 0.66 -0.03 0.00 0.12 0.00 0.00 56.93 57.71 2tbd s PHE 113 Cb 0.01 -3.22 0.13 0.00 -0.57 0.00 0.00 43.02 39.37 2tbd s PHE 113 CO 0.02 -0.60 1.02 0.45 -0.10 0.00 0.00 175.22 176.01 2tbd s SER 114 N 1.70 4.30 -0.14 1.36 0.15 -0.91 -3.65 113.70 116.51 2tbd s SER 114 Ca 0.30 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.73 2tbd s SER 114 Cb -0.14 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.03 2tbd s SER 114 CO 0.14 -1.90 -0.17 -0.69 1.20 0.00 0.00 173.24 171.82 2tbd s VAL 115 N -3.20 1.73 -0.03 4.45 1.01 -1.26 -2.26 120.40 120.83 2tbd s VAL 115 Ca 0.66 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2tbd s VAL 115 Cb -0.06 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 2tbd s VAL 115 CO 0.45 0.49 -0.02 0.40 0.00 0.00 0.00 175.10 176.41 2tbd h ILE 116 N 5.95 0.00 -1.99 2.22 1.08 -1.30 -3.47 117.51 119.99 2tbd h ILE 116 Ca -0.35 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.85 2tbd h ILE 116 Cb 1.16 0.00 -0.21 0.00 -3.07 0.00 0.00 36.82 34.70 2tbd h ILE 116 CO 0.54 0.00 0.07 -1.83 -0.69 0.00 0.00 178.15 176.24 2tbd s GLU 117 N -1.24 0.76 0.22 2.37 4.04 -1.03 -5.00 118.70 118.83 2tbd s GLU 117 Ca -0.02 1.12 0.10 0.00 0.04 0.00 0.00 54.97 56.21 2tbd s GLU 117 Cb 0.00 0.25 -0.05 0.00 0.02 0.00 0.00 34.13 34.36 2tbd s GLU 117 CO 0.03 -0.13 -0.19 -1.21 -1.84 0.00 0.00 175.26 171.92 2tbd s GLU 118 N 1.10 1.48 0.36 -4.83 8.01 -1.26 -1.22 118.70 122.34 2tbd s GLU 118 Ca -0.06 -1.61 0.19 0.00 0.01 0.00 0.00 54.97 53.50 2tbd s GLU 118 Cb -0.05 -1.52 0.38 0.00 -4.31 0.00 0.00 34.13 28.64 2tbd s GLU 118 CO -0.11 0.29 1.59 0.66 0.01 0.00 0.00 175.26 177.70 2tbd h SER 119 N 2.68 0.00 -3.26 -0.19 4.64 -1.91 -3.44 113.55 112.06 2tbd h SER 119 Ca -0.41 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.23 2tbd h SER 119 Cb 1.23 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.18 2tbd h SER 119 CO 0.57 0.33 -0.61 -0.76 -0.87 0.00 0.00 176.83 175.48 2tbd s LEU 120 N -6.51 3.65 0.13 5.97 1.43 -1.26 -5.00 118.68 117.09 2tbd s LEU 120 Ca 0.03 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 2tbd s LEU 120 Cb 0.08 -1.87 -0.18 0.00 0.03 0.00 0.00 46.19 44.25 2tbd s LEU 120 CO 0.70 0.37 1.30 1.55 0.23 0.00 0.00 176.35 180.49 2tbd h PRO 121 N 5.03 0.01 0.10 1.29 0.13 -2.04 -3.31 132.00 133.20 2tbd h PRO 121 Ca -0.51 -0.02 -0.32 0.00 -0.87 0.00 0.00 66.00 64.28 2tbd h PRO 121 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2tbd h PRO 121 CO 0.55 0.99 -1.68 0.78 -0.23 0.00 0.00 178.00 178.41 2tbd h GLY 122 N 2.85 0.23 0.00 1.56 0.00 -1.99 -3.51 103.07 102.22 2tbd h GLY 122 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2tbd h GLY 122 CO 0.13 0.52 0.00 0.61 0.00 0.00 0.00 176.54 177.80 2tbd n GLY 123 N 1.72 -0.62 3.51 4.60 0.00 -1.25 -4.78 105.19 108.38 2tbd n GLY 123 Ca -0.20 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 3.94 0.00 0.99 1.43 -1.26 -4.84 118.68 118.94 2tbd s LEU 124 Ca 0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2tbd s LEU 124 Cb 0.00 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2tbd s LEU 124 CO 0.00 -1.44 0.00 1.17 0.23 0.00 0.00 176.35 176.31 2tbd n LYS 125 N 8.02 0.00 -1.33 1.70 3.00 -1.26 -4.89 118.16 123.40 2tbd n LYS 125 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.07 2tbd n LYS 125 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.47 2tbd n LYS 125 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2tbd n GLU 126 N 0.00 2.26 0.00 1.64 0.28 -1.26 -4.64 120.64 118.91 2tbd n GLU 126 Ca 0.00 -2.18 0.00 0.00 -0.16 0.00 0.00 57.16 54.82 2tbd n GLU 126 Cb 0.00 -2.01 0.00 0.00 1.43 0.00 0.00 31.44 30.86 2tbd n GLU 126 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2tbd n HIS 127 N 0.67 0.00 -2.73 -1.84 8.25 -1.26 -4.99 115.22 113.31 2tbd n HIS 127 Ca 0.44 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.82 2tbd n HIS 127 Cb 0.56 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.76 2tbd n HIS 127 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2tbd n ASP 128 N -0.49 -2.39 0.00 0.41 -0.08 -1.26 -4.83 116.55 107.90 2tbd n ASP 128 Ca 0.00 -3.61 0.00 0.00 -1.51 0.00 0.00 54.79 49.67 2tbd n ASP 128 Cb 0.00 1.91 0.00 0.00 2.34 0.00 0.00 41.12 45.37 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2tbd n PHE 129 N 0.53 0.00 -0.09 -0.67 3.72 -1.26 -4.94 117.46 114.74 2tbd n PHE 129 Ca 0.06 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.30 2tbd n PHE 129 Cb 0.69 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.16 2tbd n PHE 129 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2tbd n ASN 130 N -1.67 1.85 -3.75 4.37 3.02 -1.26 -4.97 115.26 112.85 2tbd n ASN 130 Ca 0.00 0.49 -0.27 0.00 -0.03 0.00 0.00 54.58 54.77 2tbd n ASN 130 Cb 0.00 -0.92 0.19 0.00 -0.61 0.00 0.00 39.78 38.44 2tbd n ASN 130 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2tbd n PRO 131 N -4.49 -1.16 -3.91 3.52 -0.04 -1.26 -5.12 135.00 122.55 2tbd n PRO 131 Ca -0.24 -1.89 -0.09 0.00 -0.04 0.00 0.00 63.50 61.23 2tbd n PRO 131 Cb 0.55 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.72 2tbd n PRO 131 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2tbd s GLU 132 N -5.63 1.35 0.22 0.54 4.04 -1.26 -4.72 118.70 113.23 2tbd s GLU 132 Ca 0.69 -1.11 0.04 0.00 0.04 0.00 0.00 54.97 54.62 2tbd s GLU 132 Cb -0.02 0.45 -0.01 0.00 0.02 0.00 0.00 34.13 34.57 2tbd s GLU 132 CO 0.48 -0.54 0.13 0.43 -1.84 0.00 0.00 175.26 173.92 2tbd n SER 133 N -0.30 0.28 -0.81 0.83 7.64 -1.26 -5.14 113.62 114.86 2tbd n SER 133 Ca -0.06 -2.29 0.10 0.00 1.01 0.00 0.00 58.87 57.62 2tbd n SER 133 Cb 0.62 0.82 0.08 0.00 -1.01 0.00 0.00 64.21 64.73 2tbd n SER 133 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83