#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 -4.85 -3.38 1.61 7.64 -1.26 -3.71 113.62 109.67 2tbd n SER 2 Ca 0.00 0.03 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 2tbd n SER 2 Cb 0.00 -3.94 0.03 0.00 -1.01 0.00 0.00 64.21 59.30 2tbd n SER 2 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2tbd n LYS 3 N -2.56 -2.00 -1.49 1.43 5.02 -1.26 -4.49 118.16 112.81 2tbd n LYS 3 Ca -0.19 1.55 -0.42 0.00 -2.02 0.00 0.00 58.31 57.23 2tbd n LYS 3 Cb 0.63 -2.71 -0.10 0.00 -0.02 0.00 0.00 35.03 32.83 2tbd n LYS 3 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2tbd n VAL 4 N -0.18 0.00 -2.17 -0.18 0.31 -1.24 -4.83 118.33 110.03 2tbd n VAL 4 Ca -0.05 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 2tbd n VAL 4 Cb 0.64 -1.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.25 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2tbd s GLU 5 N 8.19 4.29 -0.00 5.55 2.12 -1.26 -4.99 118.70 132.60 2tbd s GLU 5 Ca 1.21 2.05 -0.19 0.00 0.36 0.00 0.00 54.97 58.40 2tbd s GLU 5 Cb -0.92 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 29.98 2tbd s GLU 5 CO 0.44 -0.53 0.54 -0.51 -0.54 0.00 0.00 175.26 174.66 2tbd s ASP 6 N 1.59 6.92 -0.12 -1.70 1.01 -1.26 -5.04 116.67 118.07 2tbd s ASP 6 Ca 0.65 1.09 -0.30 0.00 0.71 0.00 0.00 52.55 54.71 2tbd s ASP 6 Cb -0.35 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 2tbd s ASP 6 CO 0.29 0.17 1.06 -2.16 0.21 0.00 0.00 175.17 174.73 2tbd s PRO 7 N -0.43 4.38 0.00 8.23 0.04 -1.26 -4.92 135.00 141.03 2tbd s PRO 7 Ca 0.28 1.45 0.28 0.00 0.04 0.00 0.00 61.00 63.05 2tbd s PRO 7 Cb -0.18 -3.57 1.11 0.00 0.04 0.00 0.00 34.50 31.90 2tbd s PRO 7 CO 0.16 -0.40 1.83 1.17 0.04 0.00 0.00 177.00 179.80 2tbd n LYS 8 N 5.29 0.02 -3.91 4.56 4.81 -1.26 -4.91 118.16 122.76 2tbd n LYS 8 Ca 0.10 -0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.46 2tbd n LYS 8 Cb 0.48 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.99 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2tbd s ASP 9 N -2.98 -0.20 1.05 3.14 1.01 -1.26 -4.95 116.67 112.49 2tbd s ASP 9 Ca 0.14 -0.73 -0.18 0.00 0.71 0.00 0.00 52.55 52.49 2tbd s ASP 9 Cb 0.19 0.67 0.03 0.00 1.01 0.00 0.00 42.92 44.82 2tbd s ASP 9 CO 0.56 -1.26 -0.12 0.49 0.21 0.00 0.00 175.17 175.05 2tbd n PHE 10 N -0.43 -1.69 -2.65 4.23 3.01 -1.26 -4.93 117.46 113.75 2tbd n PHE 10 Ca -0.03 0.21 -0.33 0.00 1.01 0.00 0.00 57.45 58.31 2tbd n PHE 10 Cb 0.60 -1.59 -0.05 0.00 -0.01 0.00 0.00 39.48 38.43 2tbd n PHE 10 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2tbd s PRO 11 N -3.23 4.03 0.23 -1.08 0.04 -1.26 -4.86 135.00 128.87 2tbd s PRO 11 Ca 0.53 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 2tbd s PRO 11 Cb -0.12 -2.14 0.33 0.00 0.04 0.00 0.00 34.50 32.61 2tbd s PRO 11 CO 0.68 -0.21 1.82 0.66 0.04 0.00 0.00 177.00 179.99 2tbd h SER 12 N 1.60 0.70 -0.79 6.66 4.64 -1.97 0.64 113.55 125.02 2tbd h SER 12 Ca -0.49 0.03 0.22 0.00 -0.47 0.00 0.00 61.79 61.08 2tbd h SER 12 Cb 1.19 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 2tbd h SER 12 CO 0.60 0.43 0.56 -0.08 -0.87 0.00 0.00 176.83 177.47 2tbd h GLU 13 N 0.83 0.08 0.00 4.77 4.57 -2.03 0.14 114.58 122.93 2tbd h GLU 13 Ca 0.36 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 2tbd h GLU 13 Cb 0.25 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2tbd h GLU 13 CO -0.20 0.05 -1.49 -0.11 -1.18 0.00 0.00 179.01 176.08 2tbd n LEU 14 N -4.35 0.41 0.00 1.64 7.94 -0.19 -4.05 117.00 118.41 2tbd n LEU 14 Ca 0.16 -0.06 0.06 0.00 -1.11 0.00 0.00 56.01 55.06 2tbd n LEU 14 Cb 0.80 -0.03 0.30 0.00 0.53 0.00 0.00 43.42 45.03 2tbd n LEU 14 CO 0.37 0.04 0.67 0.18 -1.11 0.00 0.00 177.39 177.53 2tbd n LEU 15 N -2.09 0.00 0.30 -1.96 4.77 0.47 -2.53 117.00 115.96 2tbd n LEU 15 Ca -0.01 0.35 0.20 0.00 -0.03 0.00 0.00 56.01 56.52 2tbd n LEU 15 Cb 0.49 -0.35 1.06 0.00 -2.33 0.00 0.00 43.42 42.29 2tbd n LEU 15 CO 0.43 -0.20 1.10 0.28 -1.33 0.00 0.00 177.39 177.68 2tbd h SER 16 N 0.00 0.00 -1.30 -1.43 0.02 -1.68 -3.32 113.55 105.83 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 0.15 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.48 2tbd h SER 16 CO 0.00 0.00 -0.60 2.22 -1.14 0.00 0.00 176.83 177.31 2tbd n PHE 17 N -2.92 -3.18 -4.10 3.45 1.16 -1.05 -5.11 117.46 105.71 2tbd n PHE 17 Ca -0.02 -1.81 -0.11 0.00 -1.87 0.00 0.00 57.45 53.64 2tbd n PHE 17 Cb 0.09 1.21 -0.11 0.00 -1.61 0.00 0.00 39.48 39.06 2tbd n PHE 17 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2tbd s LEU 18 N 0.67 2.37 -0.81 5.98 1.43 -1.25 -4.47 118.68 122.60 2tbd s LEU 18 Ca 0.31 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 2tbd s LEU 18 Cb 0.01 -0.07 0.21 0.00 0.03 0.00 0.00 46.19 46.37 2tbd s LEU 18 CO -0.09 -0.34 0.74 -0.44 0.23 0.00 0.00 176.35 176.45 2tbd s SER 19 N -2.22 6.63 -1.00 2.29 0.01 -0.90 -4.68 113.70 113.82 2tbd s SER 19 Ca -0.01 -2.71 -0.24 0.00 1.31 0.00 0.00 55.95 54.30 2tbd s SER 19 Cb -0.03 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2tbd s SER 19 CO -0.03 -0.55 1.87 -1.00 0.41 0.00 0.00 173.24 173.94 2tbd s HIS 20 N 0.14 1.98 0.00 2.43 0.09 -1.26 -3.82 115.29 114.84 2tbd s HIS 20 Ca 0.18 0.31 0.00 0.00 -0.00 0.00 0.00 55.06 55.54 2tbd s HIS 20 Cb -0.11 -4.15 0.00 0.00 -0.00 0.00 0.00 32.58 28.32 2tbd s HIS 20 CO -0.08 -1.64 0.00 0.00 -0.00 0.00 0.00 174.74 173.01 2tbd n ALA 21 N 13.19 0.00 -0.09 -1.40 0.00 -1.26 -5.06 120.51 125.89 2tbd n ALA 21 Ca 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 2tbd n ALA 21 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 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 1.00 -0.27 0.00 0.31 -1.26 -4.45 118.33 113.66 2tbd n VAL 22 Ca 0.00 -0.38 -0.05 0.00 -0.01 0.00 0.00 64.34 63.89 2tbd n VAL 22 Cb 0.00 -1.12 0.18 0.00 -0.91 0.00 0.00 33.84 31.99 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 -3.01 1.59 -1.31 3.52 3.72 -1.26 -3.51 117.46 117.21 2tbd n PHE 23 Ca -0.31 -0.90 -0.30 0.00 -0.05 0.00 0.00 57.45 55.90 2tbd n PHE 23 Cb 0.83 -0.52 0.21 0.00 -0.94 0.00 0.00 39.48 39.06 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2tbd s SER 24 N -0.44 1.85 0.00 4.37 0.01 -1.26 -5.08 113.70 113.15 2tbd s SER 24 Ca 0.34 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.27 2tbd s SER 24 Cb 0.28 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.54 2tbd s SER 24 CO 0.08 -3.55 0.00 -0.46 0.41 0.00 0.00 173.24 169.72 2tbd n ASN 25 N -4.38 0.00 -0.45 2.44 0.23 -1.26 -4.94 115.26 106.90 2tbd n ASN 25 Ca 0.12 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.19 2tbd n ASN 25 Cb 0.59 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.29 2tbd n ASN 25 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2tbd n ARG 26 N 0.00 -0.28 -4.49 -3.83 5.12 -1.26 -4.81 116.66 107.12 2tbd n ARG 26 Ca 0.00 0.18 -0.20 0.00 -1.93 0.00 0.00 57.85 55.90 2tbd n ARG 26 Cb 0.00 -0.34 -0.15 0.00 -1.16 0.00 0.00 32.46 30.81 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2tbd s THR 27 N -0.35 0.89 -0.08 0.55 -4.23 -1.26 -4.85 115.64 106.31 2tbd s THR 27 Ca 0.00 -0.47 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 2tbd s THR 27 Cb 0.00 -0.75 0.02 0.00 1.34 0.00 0.00 72.50 73.11 2tbd s THR 27 CO 0.00 0.26 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.47 2tbd s LEU 28 N -0.17 1.48 0.00 4.79 1.02 -1.22 -4.97 118.68 119.61 2tbd s LEU 28 Ca 0.03 -0.28 0.22 0.00 0.02 0.00 0.00 54.13 54.11 2tbd s LEU 28 Cb -0.05 -0.80 -0.15 0.00 0.02 0.00 0.00 46.19 45.21 2tbd s LEU 28 CO -0.00 -0.02 0.92 0.00 0.02 0.00 0.00 176.35 177.27 2tbd n ALA 29 N 4.18 4.36 -2.69 4.21 0.00 -1.26 -3.74 120.51 125.57 2tbd n ALA 29 Ca -0.20 -0.55 -0.39 0.00 0.00 0.00 0.00 53.44 52.30 2tbd n ALA 29 Cb 0.51 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 2tbd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tbd s PHE 31 N 1.19 2.06 -0.44 0.00 0.40 -0.91 -2.44 117.98 117.85 2tbd s PHE 31 Ca 0.25 -0.95 -0.10 0.00 -0.60 0.00 0.00 56.93 55.53 2tbd s PHE 31 Cb -0.15 -1.46 0.09 0.00 0.51 0.00 0.00 43.02 42.00 2tbd s PHE 31 CO 0.10 -0.47 0.30 0.00 0.70 0.00 0.00 175.22 175.84 2tbd s ALA 32 N 0.88 3.35 0.05 5.36 0.00 -0.26 -2.14 121.76 128.99 2tbd s ALA 32 Ca -0.08 -2.24 -0.10 0.00 0.00 0.00 0.00 51.96 49.54 2tbd s ALA 32 Cb -0.15 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 2tbd s ALA 32 CO -0.00 -1.72 0.37 0.42 0.00 0.00 0.00 175.76 174.82 2tbd s ILE 33 N 1.43 5.14 -0.27 0.00 1.01 -0.96 -1.62 121.20 125.93 2tbd s ILE 33 Ca 0.04 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 61.13 2tbd s ILE 33 Cb -0.24 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.68 2tbd s ILE 33 CO 0.02 0.36 0.06 -0.47 0.00 0.00 0.00 174.94 174.91 2tbd s TYR 34 N -1.31 1.65 0.34 3.97 5.04 -0.67 -0.83 117.35 125.54 2tbd s TYR 34 Ca 0.30 -1.53 -0.01 0.00 -2.44 0.00 0.00 57.07 53.39 2tbd s TYR 34 Cb -0.14 -1.53 -0.00 0.00 0.35 0.00 0.00 41.96 40.63 2tbd s TYR 34 CO 0.16 -0.79 0.44 0.95 -1.34 0.00 0.00 175.55 174.97 2tbd s THR 35 N 1.64 0.00 0.72 4.34 -4.23 -1.02 -0.71 115.64 116.38 2tbd s THR 35 Ca 0.05 -1.67 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 2tbd s THR 35 Cb -0.17 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.08 2tbd s THR 35 CO -0.18 0.00 1.23 0.42 -0.54 0.00 0.00 174.62 175.55 2tbd s THR 36 N -3.11 2.20 0.31 3.99 -4.23 -1.26 -1.99 115.64 111.55 2tbd s THR 36 Ca 0.32 0.10 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 2tbd s THR 36 Cb 0.00 -2.74 0.30 0.00 1.34 0.00 0.00 72.50 71.40 2tbd s THR 36 CO 0.22 -0.05 1.81 0.07 -0.54 0.00 0.00 174.62 176.12 2tbd h LYS 37 N -0.18 0.80 -0.00 3.99 2.10 -1.88 0.15 116.57 121.54 2tbd h LYS 37 Ca -0.48 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.04 2tbd h LYS 37 Cb 1.31 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2tbd h LYS 37 CO 0.50 0.53 -0.38 1.05 -2.00 0.00 0.00 179.45 179.15 2tbd h GLU 38 N 0.82 0.00 0.45 0.07 -0.00 -2.00 -2.31 114.58 111.62 2tbd h GLU 38 Ca 0.54 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.88 2tbd h GLU 38 Cb 0.77 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.52 2tbd h GLU 38 CO -0.32 0.38 -0.21 -0.22 -0.00 0.00 0.00 179.01 178.64 2tbd h LYS 39 N 0.00 -0.58 -0.23 1.06 1.63 -1.05 -2.98 116.57 114.43 2tbd h LYS 39 Ca -0.00 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.90 2tbd h LYS 39 Cb 0.67 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 2tbd h LYS 39 CO 0.05 -0.38 0.38 0.00 -3.45 0.00 0.00 179.45 176.04 2tbd h ALA 40 N -1.16 1.79 -0.63 5.00 0.00 -1.47 0.83 119.26 123.62 2tbd h ALA 40 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2tbd h ALA 40 Cb 0.46 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2tbd h ALA 40 CO 0.10 -0.50 0.30 0.00 0.00 0.00 0.00 179.25 179.15 2tbd h ALA 41 N 1.47 0.82 0.11 0.00 0.00 -1.25 -0.16 119.26 120.25 2tbd h ALA 41 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2tbd h ALA 41 Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2tbd h ALA 41 CO -0.00 0.39 -0.05 -0.07 0.00 0.00 0.00 179.25 179.51 2tbd h LEU 42 N 0.88 -0.13 0.08 0.00 3.38 -0.81 -2.93 115.31 115.77 2tbd h LEU 42 Ca 0.22 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2tbd h LEU 42 Cb 0.13 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2tbd h LEU 42 CO -0.03 0.45 -0.49 -0.07 0.09 0.00 0.00 178.44 178.39 2tbd h LEU 43 N -1.00 -1.50 -0.86 1.67 3.38 -1.50 -0.09 115.31 115.40 2tbd h LEU 43 Ca -0.02 0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.34 2tbd h LEU 43 Cb 0.34 0.56 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 2tbd h LEU 43 CO 0.03 -0.51 0.16 0.22 0.09 0.00 0.00 178.44 178.43 2tbd h TYR 44 N -0.68 0.22 -0.70 1.13 3.20 -1.18 0.68 116.97 119.64 2tbd h TYR 44 Ca -0.00 0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.00 2tbd h TYR 44 Cb 0.69 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 2tbd h TYR 44 CO -0.47 -0.24 0.37 -0.22 -1.64 0.00 0.00 178.16 175.97 2tbd h LYS 45 N 0.16 0.64 0.00 1.82 1.63 -0.86 -2.55 116.57 117.41 2tbd h LYS 45 Ca 0.53 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 2tbd h LYS 45 Cb 1.04 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 2tbd h LYS 45 CO -0.69 0.42 -0.00 0.87 -3.45 0.00 0.00 179.45 176.61 2tbd h LYS 46 N 0.66 0.00 -0.76 1.90 1.57 0.13 -3.36 116.57 116.72 2tbd h LYS 46 Ca 0.33 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.40 2tbd h LYS 46 Cb 0.28 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.48 2tbd h LYS 46 CO -0.23 0.00 0.45 -0.89 -0.57 0.00 0.00 179.45 178.21 2tbd n ILE 47 N -2.10 -0.23 -0.25 1.86 2.08 0.59 -0.54 119.36 120.77 2tbd n ILE 47 Ca -0.00 1.28 -0.07 0.00 0.56 0.00 0.00 62.75 64.52 2tbd n ILE 47 Cb 0.00 -2.09 -0.02 0.00 -0.75 0.00 0.00 39.64 36.77 2tbd n ILE 47 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 2tbd h MET 48 N 0.00 -0.16 -0.02 0.38 2.86 -1.59 -0.38 114.93 116.02 2tbd h MET 48 Ca 0.57 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.22 2tbd h MET 48 Cb 1.64 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.34 2tbd h MET 48 CO -0.43 -0.11 -0.44 -1.91 1.06 0.00 0.00 176.91 175.09 2tbd n GLU 49 N -5.41 1.33 0.17 1.72 2.13 0.30 -2.33 120.64 118.55 2tbd n GLU 49 Ca 0.03 -0.99 0.12 0.00 0.66 0.00 0.00 57.16 56.98 2tbd n GLU 49 Cb 0.35 -1.44 0.13 0.00 0.27 0.00 0.00 31.44 30.75 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2tbd h LYS 50 N 2.39 0.00 0.00 5.31 3.64 -0.19 -3.37 116.57 124.35 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 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2tbd h LYS 50 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 2tbd n TYR 51 N -2.87 0.00 -4.11 1.91 4.01 -0.25 -4.98 117.16 110.88 2tbd n TYR 51 Ca 0.03 -0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.44 2tbd n TYR 51 Cb 0.53 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.54 2tbd n TYR 51 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2tbd n SER 52 N -0.00 -2.93 -4.29 7.72 3.41 -0.98 -3.95 113.62 112.60 2tbd n SER 52 Ca 0.00 -0.97 -0.44 0.00 -0.26 0.00 0.00 58.87 57.21 2tbd n SER 52 Cb 0.28 -3.04 -0.01 0.00 -0.26 0.00 0.00 64.21 61.18 2tbd n SER 52 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2tbd n VAL 53 N -4.45 1.11 0.16 -3.33 0.24 -1.25 -4.21 118.33 106.61 2tbd n VAL 53 Ca -0.02 -0.49 0.01 0.00 -2.04 0.00 0.00 64.34 61.80 2tbd n VAL 53 Cb 0.54 0.00 0.30 0.00 -1.47 0.00 0.00 33.84 33.21 2tbd n VAL 53 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2tbd h THR 54 N 0.56 1.31 -0.74 3.34 2.02 -1.60 -3.43 112.91 114.35 2tbd h THR 54 Ca -0.33 -1.46 0.19 0.00 0.77 0.00 0.00 66.41 65.58 2tbd h THR 54 Cb 1.43 1.76 -0.23 0.00 -1.74 0.00 0.00 68.15 69.37 2tbd h THR 54 CO 0.50 0.42 0.13 0.12 0.37 0.00 0.00 175.52 177.06 2tbd s PHE 55 N -4.09 -0.73 -0.19 3.16 5.36 -1.26 -4.94 117.98 115.29 2tbd s PHE 55 Ca -0.03 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 2tbd s PHE 55 Cb 0.14 0.34 0.05 0.00 -0.34 0.00 0.00 43.02 43.21 2tbd s PHE 55 CO 0.74 -0.38 -0.06 -1.50 -1.46 0.00 0.00 175.22 172.56 2tbd s ILE 56 N 2.69 1.33 0.07 3.12 2.07 -1.25 -1.25 121.20 127.99 2tbd s ILE 56 Ca 0.01 -0.88 0.07 0.00 -1.41 0.00 0.00 60.65 58.45 2tbd s ILE 56 Cb -0.09 -1.52 -0.03 0.00 0.13 0.00 0.00 42.46 40.95 2tbd s ILE 56 CO -0.15 0.07 -0.20 -0.55 -1.91 0.00 0.00 174.94 172.20 2tbd s SER 57 N 1.52 2.38 -0.42 4.50 0.15 -0.39 -3.02 113.70 118.42 2tbd s SER 57 Ca -0.01 -0.60 -0.13 0.00 0.70 0.00 0.00 55.95 55.90 2tbd s SER 57 Cb -0.16 -0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.04 2tbd s SER 57 CO -0.07 0.08 0.30 -0.13 1.20 0.00 0.00 173.24 174.61 2tbd s ARG 58 N -1.57 2.86 0.38 5.44 0.52 -0.44 -1.67 118.95 124.46 2tbd s ARG 58 Ca 0.06 -1.23 0.07 0.00 -0.52 0.00 0.00 55.73 54.12 2tbd s ARG 58 Cb -0.09 -3.92 -0.00 0.00 0.52 0.00 0.00 34.95 31.45 2tbd s ARG 58 CO 0.03 -0.86 0.49 -1.01 0.02 0.00 0.00 175.30 173.96 2tbd s HIS 59 N 1.58 2.93 0.05 -0.53 3.76 -1.08 -0.97 115.29 121.03 2tbd s HIS 59 Ca 0.03 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.61 2tbd s HIS 59 Cb -0.21 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 2tbd s HIS 59 CO 0.07 -0.18 0.21 -0.80 -0.85 0.00 0.00 174.74 173.19 2tbd s ASN 60 N -4.23 6.37 0.00 1.40 -0.87 -1.00 -1.91 114.94 114.70 2tbd s ASN 60 Ca 0.49 0.29 0.00 0.00 -1.57 0.00 0.00 52.86 52.07 2tbd s ASN 60 Cb -0.09 -1.97 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 2tbd s ASN 60 CO 0.31 0.18 0.00 -1.20 -2.57 0.00 0.00 177.10 173.83 2tbd n SER 61 N 0.40 0.00 0.05 -1.22 7.64 0.11 -1.80 113.62 118.80 2tbd n SER 61 Ca -0.06 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.62 2tbd n SER 61 Cb 0.51 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.57 2tbd n SER 61 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2tbd h TYR 62 N 0.00 0.61 0.00 1.43 0.05 -1.99 -3.42 116.97 113.65 2tbd h TYR 62 Ca 0.00 -0.42 0.00 0.00 0.05 0.00 0.00 58.73 58.36 2tbd h TYR 62 Cb 0.00 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2tbd h TYR 62 CO 0.00 1.31 -0.10 0.09 -1.05 0.00 0.00 178.16 178.40 2tbd n ASN 63 N -4.10 0.51 -0.99 3.88 3.02 -1.26 -5.11 115.26 111.21 2tbd n ASN 63 Ca -0.13 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2tbd n ASN 63 Cb 0.82 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 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 -0.45 -0.23 -4.40 3.10 8.25 -1.26 -4.83 115.22 115.40 2tbd n HIS 64 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2tbd n HIS 64 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.98 3.93 -0.37 0.41 0.01 -0.84 0.06 114.94 117.16 2tbd s ASN 65 Ca 0.00 -0.86 -0.09 0.00 -0.71 0.00 0.00 52.86 51.20 2tbd s ASN 65 Cb 0.00 -0.50 0.04 0.00 0.41 0.00 0.00 41.25 41.20 2tbd s ASN 65 CO 0.00 0.04 0.18 -0.63 -1.51 0.00 0.00 177.10 175.18 2tbd s ILE 66 N -2.32 4.19 -1.23 0.60 1.09 -0.80 -2.43 121.20 120.29 2tbd s ILE 66 Ca 0.29 -1.08 -0.19 0.00 -1.10 0.00 0.00 60.65 58.57 2tbd s ILE 66 Cb -0.06 -3.40 0.07 0.00 -1.06 0.00 0.00 42.46 38.01 2tbd s ILE 66 CO 0.16 -0.27 1.67 -0.22 -0.10 0.00 0.00 174.94 176.17 2tbd s LEU 67 N 1.47 3.79 -0.77 2.97 2.96 -0.01 -2.64 118.68 126.44 2tbd s LEU 67 Ca 0.01 -2.23 -0.26 0.00 -0.22 0.00 0.00 54.13 51.42 2tbd s LEU 67 Cb -0.20 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 43.94 2tbd s LEU 67 CO 0.04 -1.24 1.43 0.12 -1.32 0.00 0.00 176.35 175.38 2tbd s PHE 68 N 4.34 2.19 -0.11 5.38 5.36 -0.67 -2.27 117.98 132.21 2tbd s PHE 68 Ca 0.52 -0.00 0.03 0.00 -0.96 0.00 0.00 56.93 56.52 2tbd s PHE 68 Cb 0.03 -4.53 0.01 0.00 -0.34 0.00 0.00 43.02 38.19 2tbd s PHE 68 CO 0.04 -2.08 -0.20 -0.59 -1.46 0.00 0.00 175.22 170.92 2tbd s PHE 69 N 6.36 2.29 0.46 10.12 -0.71 -0.91 -1.26 117.98 134.34 2tbd s PHE 69 Ca 0.43 -1.01 0.04 0.00 -1.04 0.00 0.00 56.93 55.36 2tbd s PHE 69 Cb -0.08 -1.57 0.01 0.00 -1.21 0.00 0.00 43.02 40.18 2tbd s PHE 69 CO 0.12 -0.45 0.65 -0.51 -1.34 0.00 0.00 175.22 173.68 2tbd s LEU 70 N 0.63 3.55 0.07 -1.99 1.02 -0.38 -2.13 118.68 119.45 2tbd s LEU 70 Ca -0.13 -0.13 0.02 0.00 0.02 0.00 0.00 54.13 53.91 2tbd s LEU 70 Cb -0.16 -2.83 -0.03 0.00 0.02 0.00 0.00 46.19 43.19 2tbd s LEU 70 CO 0.04 -0.85 -0.07 0.42 0.02 0.00 0.00 176.35 175.90 2tbd s THR 71 N -2.51 0.57 0.00 5.49 -4.23 -0.42 -1.85 115.64 112.68 2tbd s THR 71 Ca 0.53 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 2tbd s THR 71 Cb -0.10 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.60 2tbd s THR 71 CO 0.36 -0.65 0.00 -0.81 -0.54 0.00 0.00 174.62 172.98 2tbd n PRO 72 N 0.70 0.00 -1.75 3.99 -0.04 -1.25 -4.54 135.00 132.11 2tbd n PRO 72 Ca -0.17 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.09 2tbd n PRO 72 Cb 0.58 -0.23 -0.06 0.00 -0.04 0.00 0.00 33.50 33.75 2tbd n PRO 72 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2tbd s HIS 73 N 0.00 1.38 0.24 0.54 -3.43 -1.26 -4.86 115.29 107.89 2tbd s HIS 73 Ca 0.00 1.49 -0.17 0.00 -0.80 0.00 0.00 55.06 55.58 2tbd s HIS 73 Cb 0.00 -3.66 -0.11 0.00 -1.43 0.00 0.00 32.58 27.37 2tbd s HIS 73 CO 0.00 -1.68 0.17 -2.13 -2.00 0.00 0.00 174.74 169.10 2tbd n ARG 74 N 8.85 0.00 -3.92 -0.38 0.63 -1.26 -4.98 116.66 115.59 2tbd n ARG 74 Ca 0.44 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.27 2tbd n ARG 74 Cb 0.45 -0.71 -0.10 0.00 0.45 0.00 0.00 32.46 32.55 2tbd n ARG 74 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2tbd s HIS 75 N -1.02 0.15 0.04 -0.14 0.00 -1.25 -4.97 115.29 108.10 2tbd s HIS 75 Ca 0.43 -0.35 -0.34 0.00 -3.00 0.00 0.00 55.06 51.80 2tbd s HIS 75 Cb -0.52 -0.12 -0.12 0.00 -4.00 0.00 0.00 32.58 27.81 2tbd s HIS 75 CO 0.43 -0.27 1.75 0.54 -1.00 0.00 0.00 174.74 176.19 2tbd n ARG 76 N 1.38 2.23 0.14 -0.38 5.12 -1.26 -3.42 116.66 120.46 2tbd n ARG 76 Ca -0.23 0.81 0.10 0.00 -1.93 0.00 0.00 57.85 56.60 2tbd n ARG 76 Cb 0.56 -2.63 0.50 0.00 -1.16 0.00 0.00 32.46 29.73 2tbd n ARG 76 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2tbd n VAL 77 N 4.39 1.15 0.10 1.55 0.31 -1.25 0.02 118.33 124.59 2tbd n VAL 77 Ca 0.20 0.65 -0.15 0.00 -0.01 0.00 0.00 64.34 65.04 2tbd n VAL 77 Cb 0.30 -1.64 -0.12 0.00 -0.91 0.00 0.00 33.84 31.47 2tbd n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2tbd h SER 78 N 0.00 0.40 0.43 4.52 0.87 -1.85 -1.93 113.55 115.99 2tbd h SER 78 Ca 0.00 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 2tbd h SER 78 Cb 0.04 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2tbd h SER 78 CO 0.00 1.29 -0.21 0.00 -0.53 0.00 0.00 176.83 177.39 2tbd h ALA 79 N 0.65 -0.58 -0.14 6.23 0.00 -0.73 -2.38 119.26 122.30 2tbd h ALA 79 Ca -0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2tbd h ALA 79 Cb 1.88 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 2tbd h ALA 79 CO 0.19 -0.82 -0.20 0.82 0.00 0.00 0.00 179.25 179.25 2tbd h ILE 80 N -0.60 1.21 -0.76 0.00 2.04 -1.59 -1.11 117.51 116.71 2tbd h ILE 80 Ca -0.06 -0.97 0.22 0.00 1.00 0.00 0.00 64.86 65.05 2tbd h ILE 80 Cb 0.46 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2tbd h ILE 80 CO 0.10 0.30 0.75 -1.13 0.00 0.00 0.00 178.15 178.16 2tbd h ASN 81 N 0.23 0.00 -0.08 1.72 -1.24 -0.81 0.85 115.58 116.25 2tbd h ASN 81 Ca 0.04 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 2tbd h ASN 81 Cb 0.48 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 2tbd h ASN 81 CO 0.03 0.00 -0.06 -1.13 -1.29 0.00 0.00 177.43 174.98 2tbd h ASN 82 N 0.00 0.19 0.93 1.15 -0.73 -1.08 0.16 115.58 116.19 2tbd h ASN 82 Ca 0.36 -0.45 -0.04 0.00 1.87 0.00 0.00 56.30 58.03 2tbd h ASN 82 Cb 1.85 -0.05 0.01 0.00 0.27 0.00 0.00 38.32 40.40 2tbd h ASN 82 CO -0.00 0.60 -0.47 0.22 -0.37 0.00 0.00 177.43 177.41 2tbd h TYR 83 N -0.23 -1.22 0.00 0.67 3.20 0.60 -0.74 116.97 119.25 2tbd h TYR 83 Ca 0.01 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2tbd h TYR 83 Cb 0.54 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2tbd h TYR 83 CO 0.08 -0.74 0.00 0.00 -1.64 0.00 0.00 178.16 175.86 2tbd n ALA 84 N -2.66 1.12 0.11 1.82 0.00 -0.68 -1.45 120.51 118.76 2tbd n ALA 84 Ca -0.16 0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 2tbd n ALA 84 Cb 0.51 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 2tbd n ALA 84 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2tbd h GLN 85 N 0.00 0.33 0.00 0.00 1.08 0.74 -3.09 115.11 114.17 2tbd h GLN 85 Ca 0.00 -0.54 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 2tbd h GLN 85 Cb 0.05 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2tbd h GLN 85 CO 0.00 1.25 0.00 1.17 -0.95 0.00 0.00 178.83 180.30 2tbd n LYS 86 N -3.58 0.10 -1.66 1.46 4.81 -0.53 -1.62 118.16 117.14 2tbd n LYS 86 Ca -0.10 0.51 -0.26 0.00 -0.87 0.00 0.00 58.31 57.59 2tbd n LYS 86 Cb 1.02 -1.77 0.06 0.00 0.02 0.00 0.00 35.03 34.37 2tbd n LYS 86 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2tbd n LEU 87 N -1.96 5.92 -0.01 3.14 4.32 -1.17 -4.55 117.00 122.69 2tbd n LEU 87 Ca 0.00 -4.49 0.05 0.00 -0.02 0.00 0.00 56.01 51.55 2tbd n LEU 87 Cb 0.08 -0.61 -0.14 0.00 -1.62 0.00 0.00 43.42 41.14 2tbd n LEU 87 CO 0.09 1.79 -0.69 0.00 -1.22 0.00 0.00 177.39 177.36 2tbd n THR 89 N -2.51 0.00 -1.70 0.00 -2.24 -1.26 -4.48 114.28 102.09 2tbd n THR 89 Ca -0.11 0.36 -0.63 0.00 -2.27 0.00 0.00 64.05 61.39 2tbd n THR 89 Cb 0.74 -1.26 -0.09 0.00 -2.10 0.00 0.00 70.33 67.62 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 0.00 1.71 -1.16 4.78 -1.74 -1.26 -4.40 117.46 115.39 2tbd n PHE 90 Ca 0.00 0.94 0.10 0.00 -0.56 0.00 0.00 57.45 57.92 2tbd n PHE 90 Cb 0.00 -2.29 -0.05 0.00 1.52 0.00 0.00 39.48 38.66 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 4.05 -6.29 -3.50 5.98 7.64 -1.26 -4.91 113.62 115.33 2tbd n SER 91 Ca 0.28 1.25 -0.26 0.00 1.01 0.00 0.00 58.87 61.15 2tbd n SER 91 Cb 0.02 -3.87 0.21 0.00 -1.01 0.00 0.00 64.21 59.57 2tbd n SER 91 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2tbd n PHE 92 N -3.41 -3.85 -3.60 1.43 -1.74 -1.26 -4.79 117.46 100.24 2tbd n PHE 92 Ca -0.05 -0.92 -0.15 0.00 -0.56 0.00 0.00 57.45 55.77 2tbd n PHE 92 Cb 0.49 -0.98 -0.07 0.00 1.52 0.00 0.00 39.48 40.45 2tbd n PHE 92 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2tbd s LEU 93 N 0.00 -0.72 -0.42 5.98 0.20 -1.26 -4.40 118.68 118.06 2tbd s LEU 93 Ca 0.64 1.24 0.07 0.00 0.69 0.00 0.00 54.13 56.77 2tbd s LEU 93 Cb -0.05 2.48 0.25 0.00 -0.43 0.00 0.00 46.19 48.44 2tbd s LEU 93 CO 0.48 -0.35 0.64 -0.38 -0.29 0.00 0.00 176.35 176.45 2tbd n ILE 94 N 2.18 -0.48 -2.89 6.68 -0.00 0.11 -5.00 119.36 119.96 2tbd n ILE 94 Ca -0.15 -3.27 -0.34 0.00 -0.00 0.00 0.00 62.75 58.99 2tbd n ILE 94 Cb 0.56 -0.88 -0.07 0.00 -0.00 0.00 0.00 39.64 39.25 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2tbd n LYS 96 N -0.37 0.73 -3.87 0.00 5.02 -0.64 -4.93 118.16 114.10 2tbd n LYS 96 Ca 0.05 -1.43 -0.21 0.00 -2.02 0.00 0.00 58.31 54.70 2tbd n LYS 96 Cb 0.53 1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 37.31 2tbd n LYS 96 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2tbd s GLY 97 N -2.34 1.44 -0.06 0.72 0.00 -1.25 -1.11 107.32 104.72 2tbd s GLY 97 Ca 0.10 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.47 2tbd s GLY 97 CO 0.08 -1.39 -0.19 0.14 0.00 0.00 0.00 173.10 171.74 2tbd s VAL 98 N -2.12 2.60 -0.17 1.40 1.01 -1.02 -2.13 120.40 119.98 2tbd s VAL 98 Ca 0.37 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 2tbd s VAL 98 Cb -0.08 -2.00 -0.23 0.00 0.00 0.00 0.00 36.38 34.07 2tbd s VAL 98 CO 0.28 0.57 0.21 0.59 0.00 0.00 0.00 175.10 176.75 2tbd n ASN 99 N 2.77 2.04 -3.86 3.32 4.13 -1.26 -4.59 115.26 117.80 2tbd n ASN 99 Ca -0.17 0.22 -0.31 0.00 1.68 0.00 0.00 54.58 56.00 2tbd n ASN 99 Cb 0.52 -0.83 -0.08 0.00 -1.54 0.00 0.00 39.78 37.85 2tbd n ASN 99 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2tbd n LYS 100 N -3.72 2.47 -0.03 3.52 4.01 -1.26 -4.96 118.16 118.19 2tbd n LYS 100 Ca -0.35 -4.54 -0.02 0.00 -0.51 0.00 0.00 58.31 52.89 2tbd n LYS 100 Cb 0.95 -2.34 -0.01 0.00 -0.51 0.00 0.00 35.03 33.11 2tbd n LYS 100 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2tbd h GLU 101 N 5.29 -0.04 0.00 1.97 3.07 -1.93 -2.12 114.58 120.82 2tbd h GLU 101 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2tbd h GLU 101 Cb 0.74 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 2tbd h GLU 101 CO 0.84 -0.03 0.00 0.98 -1.40 0.00 0.00 179.01 179.40 2tbd n TYR 102 N -3.13 0.00 -0.16 4.33 4.19 -1.26 -1.77 117.16 119.36 2tbd n TYR 102 Ca -0.00 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.17 2tbd n TYR 102 Cb 0.05 -0.17 -0.04 0.00 0.49 0.00 0.00 39.34 39.66 2tbd n TYR 102 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2tbd n LEU 103 N -1.72 -0.40 -0.36 2.98 4.77 -1.15 -1.08 117.00 120.05 2tbd n LEU 103 Ca 0.00 1.24 -0.04 0.00 -0.03 0.00 0.00 56.01 57.18 2tbd n LEU 103 Cb 0.00 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 2tbd n LEU 103 CO 0.00 -0.83 0.49 0.80 -1.33 0.00 0.00 177.39 176.52 2tbd n MET 104 N -3.83 -0.28 -0.21 3.23 1.56 -0.81 0.68 117.12 117.46 2tbd n MET 104 Ca 0.01 1.37 -0.01 0.00 -0.27 0.00 0.00 57.70 58.80 2tbd n MET 104 Cb 0.10 -2.03 0.09 0.00 2.15 0.00 0.00 33.22 33.53 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 0.55 0.33 1.12 3.20 -0.27 0.11 116.97 122.00 2tbd h TYR 105 Ca 0.25 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2tbd h TYR 105 Cb 0.47 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 2tbd h TYR 105 CO -0.84 0.23 -0.19 0.77 -1.64 0.00 0.00 178.16 176.49 2tbd h SER 106 N 0.55 -0.47 0.00 -2.11 0.02 0.13 -0.56 113.55 111.12 2tbd h SER 106 Ca 0.29 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2tbd h SER 106 Cb 0.25 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2tbd h SER 106 CO -0.22 -0.30 0.28 0.00 -1.14 0.00 0.00 176.83 175.46 2tbd h ALA 107 N -1.66 1.27 0.03 3.77 0.00 -1.06 0.16 119.26 121.77 2tbd h ALA 107 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 2tbd h ALA 107 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.18 2tbd h ALA 107 CO 0.05 -0.27 -1.06 -0.07 0.00 0.00 0.00 179.25 177.90 2tbd h LEU 108 N 0.00 0.78 -0.02 0.00 3.38 0.36 -3.15 115.31 116.65 2tbd h LEU 108 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2tbd h LEU 108 Cb 0.57 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2tbd h LEU 108 CO 0.00 1.45 0.00 0.71 0.09 0.00 0.00 178.44 180.69 2tbd h THR 109 N 0.32 0.00 -2.82 0.22 1.35 0.79 -3.35 112.91 109.42 2tbd h THR 109 Ca -0.13 -0.58 -0.64 0.00 -0.55 0.00 0.00 66.41 64.52 2tbd h THR 109 Cb 1.72 1.57 -0.06 0.00 -1.73 0.00 0.00 68.15 69.65 2tbd h THR 109 CO 0.20 0.00 -0.41 -0.13 -0.25 0.00 0.00 175.52 174.93 2tbd s ARG 110 N -3.13 3.56 0.88 4.72 0.52 -0.80 -4.78 118.95 119.92 2tbd s ARG 110 Ca 0.10 -0.06 -0.16 0.00 -0.52 0.00 0.00 55.73 55.09 2tbd s ARG 110 Cb 0.11 -3.14 -0.08 0.00 0.52 0.00 0.00 34.95 32.36 2tbd s ARG 110 CO 0.61 0.70 -0.17 -0.40 0.02 0.00 0.00 175.30 176.05 2tbd n ASP 111 N 1.48 -3.88 -0.05 0.23 5.75 -1.26 -1.99 116.55 116.82 2tbd n ASP 111 Ca -0.14 0.35 0.04 0.00 -0.01 0.00 0.00 54.79 55.02 2tbd n ASP 111 Cb 0.53 -0.97 0.22 0.00 -1.03 0.00 0.00 41.12 39.88 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 0.71 1.06 -2.98 0.11 -0.04 -1.26 -4.98 135.00 127.63 2tbd n PRO 112 Ca 0.04 -0.10 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 2tbd n PRO 112 Cb 0.53 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.97 3.37 0.00 0.54 0.08 -0.84 -4.77 117.98 114.38 2tbd s PHE 113 Ca 0.12 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.27 2tbd s PHE 113 Cb 0.06 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 2tbd s PHE 113 CO 0.10 -0.26 0.00 0.43 -0.10 0.00 0.00 175.22 175.38 2tbd n SER 114 N 5.40 0.00 -3.66 1.36 7.64 -0.75 -3.76 113.62 119.85 2tbd n SER 114 Ca 0.03 -0.78 -0.21 0.00 1.01 0.00 0.00 58.87 58.91 2tbd n SER 114 Cb 0.49 0.00 -0.18 0.00 -1.01 0.00 0.00 64.21 63.51 2tbd n SER 114 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2tbd s VAL 115 N 0.23 -0.11 -0.06 0.44 1.01 -1.26 -2.37 120.40 118.28 2tbd s VAL 115 Ca 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 2tbd s VAL 115 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 2tbd s VAL 115 CO 0.00 0.08 -0.01 0.40 0.00 0.00 0.00 175.10 175.57 2tbd h ILE 116 N 6.44 0.00 -2.98 2.22 2.04 -1.34 -3.46 117.51 120.42 2tbd h ILE 116 Ca -0.13 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.20 2tbd h ILE 116 Cb 1.13 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2tbd h ILE 116 CO 0.18 0.00 0.25 -1.61 0.00 0.00 0.00 178.15 176.97 2tbd s GLU 117 N -1.35 1.88 0.16 2.37 2.02 -1.07 -5.01 118.70 117.70 2tbd s GLU 117 Ca -0.01 -1.08 -0.19 0.00 0.02 0.00 0.00 54.97 53.71 2tbd s GLU 117 Cb 0.00 0.61 0.05 0.00 0.10 0.00 0.00 34.13 34.89 2tbd s GLU 117 CO 0.01 -0.86 0.51 -1.83 0.02 0.00 0.00 175.26 173.10 2tbd s GLU 118 N -3.54 1.23 0.18 1.61 -1.05 -1.26 -1.33 118.70 114.54 2tbd s GLU 118 Ca 0.12 -0.66 0.23 0.00 -0.15 0.00 0.00 54.97 54.51 2tbd s GLU 118 Cb -0.06 0.53 0.21 0.00 -0.44 0.00 0.00 34.13 34.37 2tbd s GLU 118 CO 0.08 -0.52 1.24 0.77 0.95 0.00 0.00 175.26 177.78 2tbd h SER 119 N 2.19 0.00 -3.11 0.83 0.02 -1.95 -3.46 113.55 108.07 2tbd h SER 119 Ca -0.32 -0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 59.93 2tbd h SER 119 Cb 1.28 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 2tbd h SER 119 CO 0.41 0.05 -0.34 -0.76 -1.14 0.00 0.00 176.83 175.06 2tbd s LEU 120 N -4.85 4.29 -1.42 5.07 2.01 -1.26 -4.99 118.68 117.53 2tbd s LEU 120 Ca 0.04 0.56 -0.14 0.00 0.01 0.00 0.00 54.13 54.59 2tbd s LEU 120 Cb 0.11 -3.21 0.01 0.00 0.01 0.00 0.00 46.19 43.11 2tbd s LEU 120 CO 0.74 0.09 2.30 -0.81 1.01 0.00 0.00 176.35 179.68 2tbd n PRO 121 N 0.22 2.85 0.00 1.29 -0.04 -1.26 -3.89 135.00 134.17 2tbd n PRO 121 Ca -0.04 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 2tbd n PRO 121 Cb 0.52 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 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 4.06 1.53 0.00 0.55 0.00 -1.26 -5.04 105.19 105.03 2tbd n GLY 122 Ca 0.55 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.70 0.00 -0.02 0.00 -1.25 -5.09 105.19 99.53 2tbd n GLY 123 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 0.00 0.99 4.32 -1.26 -4.92 117.00 116.13 2tbd n LEU 124 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2tbd n LEU 124 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2tbd n LEU 124 CO 0.00 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.46 2tbd n LYS 125 N 0.00 0.00 0.00 3.23 4.76 -1.26 -4.90 118.16 119.99 2tbd n LYS 125 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2tbd n LYS 125 Cb 0.00 0.00 0.41 0.00 -1.84 0.00 0.00 35.03 33.60 2tbd n LYS 125 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2tbd n GLU 126 N 0.00 1.03 0.00 1.97 1.02 -1.26 -3.54 120.64 119.86 2tbd n GLU 126 Ca 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 2tbd n GLU 126 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2tbd n GLU 126 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2tbd n HIS 127 N -0.45 0.00 1.55 -0.32 8.25 -1.26 -4.51 115.22 118.47 2tbd n HIS 127 Ca 0.14 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.61 2tbd n HIS 127 Cb 0.35 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.50 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 0.00 0.68 0.13 0.41 8.00 -1.26 -3.68 116.55 120.83 2tbd n ASP 128 Ca 0.00 -2.02 -0.24 0.00 0.71 0.00 0.00 54.79 53.24 2tbd n ASP 128 Cb 0.00 -0.14 -0.15 0.00 -0.02 0.00 0.00 41.12 40.81 2tbd n ASP 128 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2tbd h PHE 129 N 0.53 0.96 -2.23 1.24 -1.00 -1.81 -3.47 116.94 111.16 2tbd h PHE 129 Ca 0.00 -0.69 -0.57 0.00 2.81 0.00 0.00 57.97 59.52 2tbd h PHE 129 Cb 0.22 -0.04 -0.14 0.00 3.61 0.00 0.00 35.95 39.60 2tbd h PHE 129 CO 0.07 1.53 -0.69 -0.80 -1.61 0.00 0.00 178.31 176.81 2tbd s ASN 130 N -7.52 3.37 0.85 2.17 0.01 -1.23 -4.84 114.94 107.76 2tbd s ASN 130 Ca -0.10 -1.16 -0.12 0.00 -0.71 0.00 0.00 52.86 50.77 2tbd s ASN 130 Cb 0.04 -0.28 0.10 0.00 0.41 0.00 0.00 41.25 41.52 2tbd s ASN 130 CO 0.94 -0.21 1.16 -2.16 -1.51 0.00 0.00 177.10 175.33 2tbd s PRO 131 N -3.63 1.64 0.32 -0.60 0.04 -1.26 -4.77 135.00 126.74 2tbd s PRO 131 Ca 0.31 0.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.23 2tbd s PRO 131 Cb 0.02 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 2tbd s PRO 131 CO 0.14 -1.83 1.34 -0.85 0.04 0.00 0.00 177.00 175.84 2tbd n GLU 132 N -3.49 2.17 0.00 4.56 0.28 -1.26 -4.94 120.64 117.96 2tbd n GLU 132 Ca 0.07 0.76 0.00 0.00 -0.16 0.00 0.00 57.16 57.84 2tbd n GLU 132 Cb 0.60 -2.38 0.00 0.00 1.43 0.00 0.00 31.44 31.09 2tbd n GLU 132 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2tbd n SER 133 N 1.11 0.00 0.00 -1.84 7.64 -1.26 -5.28 113.62 113.99 2tbd n SER 133 Ca 0.06 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2tbd n SER 133 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2tbd n SER 133 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49