#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 1.79 -4.76 1.61 3.41 -1.26 -4.98 113.62 109.43 2tbd n SER 2 Ca 0.00 0.11 -0.37 0.00 -0.26 0.00 0.00 58.87 58.35 2tbd n SER 2 Cb 0.00 -0.44 0.02 0.00 -0.26 0.00 0.00 64.21 63.53 2tbd n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2tbd s LYS 3 N -2.34 3.25 0.49 4.33 1.02 -1.26 -4.90 119.74 120.33 2tbd s LYS 3 Ca -0.25 1.89 -0.19 0.00 0.02 0.00 0.00 55.97 57.45 2tbd s LYS 3 Cb 0.08 -2.14 -0.13 0.00 -0.52 0.00 0.00 37.83 35.12 2tbd s LYS 3 CO 0.35 -1.00 0.14 1.55 -0.92 0.00 0.00 175.35 175.46 2tbd n VAL 4 N -1.14 0.83 -2.77 3.17 3.14 -1.26 -4.82 118.33 115.48 2tbd n VAL 4 Ca 0.11 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.56 2tbd n VAL 4 Cb 0.48 -0.21 -0.04 0.00 -1.06 0.00 0.00 33.84 33.01 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2tbd s GLU 5 N -1.31 3.46 0.12 1.45 2.56 -1.26 -4.99 118.70 118.73 2tbd s GLU 5 Ca 0.61 0.03 -0.31 0.00 0.00 0.00 0.00 54.97 55.30 2tbd s GLU 5 Cb -0.52 -3.99 -0.09 0.00 2.00 0.00 0.00 34.13 31.52 2tbd s GLU 5 CO 0.62 -1.43 1.64 0.34 -0.56 0.00 0.00 175.26 175.87 2tbd s ASP 6 N 2.64 6.57 -0.39 -1.70 -1.08 -1.26 -4.93 116.67 116.52 2tbd s ASP 6 Ca 0.36 2.59 -0.29 0.00 -0.52 0.00 0.00 52.55 54.69 2tbd s ASP 6 Cb -0.10 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 2tbd s ASP 6 CO 0.24 -0.88 1.18 -2.16 0.52 0.00 0.00 175.17 174.07 2tbd s PRO 7 N 1.93 3.85 0.00 4.34 0.04 -1.26 -4.88 135.00 139.02 2tbd s PRO 7 Ca 0.73 0.88 0.29 0.00 0.04 0.00 0.00 61.00 62.94 2tbd s PRO 7 Cb -0.43 -3.86 1.28 0.00 0.04 0.00 0.00 34.50 31.53 2tbd s PRO 7 CO 0.32 -1.21 1.92 1.63 0.04 0.00 0.00 177.00 179.70 2tbd n LYS 8 N 7.48 0.30 -3.69 4.56 4.01 -1.26 -4.85 118.16 124.71 2tbd n LYS 8 Ca 0.13 -0.05 -0.12 0.00 -0.51 0.00 0.00 58.31 57.77 2tbd n LYS 8 Cb 0.48 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.44 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2tbd s ASP 9 N -2.73 -0.21 1.01 4.39 1.01 -1.26 -4.80 116.67 114.08 2tbd s ASP 9 Ca 0.22 -0.15 -0.21 0.00 0.71 0.00 0.00 52.55 53.12 2tbd s ASP 9 Cb 0.20 0.41 -0.11 0.00 1.01 0.00 0.00 42.92 44.42 2tbd s ASP 9 CO 0.51 -0.69 -0.84 0.49 0.21 0.00 0.00 175.17 174.84 2tbd n PHE 10 N 0.35 -2.86 -2.62 4.23 3.72 -1.26 -4.88 117.46 114.14 2tbd n PHE 10 Ca -0.18 0.28 -0.35 0.00 -0.05 0.00 0.00 57.45 57.15 2tbd n PHE 10 Cb 0.61 -1.47 -0.05 0.00 -0.94 0.00 0.00 39.48 37.63 2tbd n PHE 10 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2tbd s PRO 11 N -2.38 4.05 0.49 -1.08 0.04 -1.26 -4.86 135.00 130.00 2tbd s PRO 11 Ca 0.43 1.35 0.23 0.00 0.04 0.00 0.00 61.00 63.05 2tbd s PRO 11 Cb -0.07 -2.29 1.29 0.00 0.04 0.00 0.00 34.50 33.46 2tbd s PRO 11 CO 0.73 -0.21 1.92 0.66 0.04 0.00 0.00 177.00 180.14 2tbd h SER 12 N 2.02 0.17 -0.94 6.66 4.64 -1.95 0.11 113.55 124.25 2tbd h SER 12 Ca -0.49 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 60.89 2tbd h SER 12 Cb 1.21 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 2tbd h SER 12 CO 0.61 0.07 0.60 -0.08 -0.87 0.00 0.00 176.83 177.17 2tbd h GLU 13 N 0.17 1.11 -0.02 4.77 4.57 -2.02 -0.68 114.58 122.48 2tbd h GLU 13 Ca 0.37 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2tbd h GLU 13 Cb 1.21 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2tbd h GLU 13 CO -0.06 0.73 -0.08 1.28 -1.18 0.00 0.00 179.01 179.69 2tbd n LEU 14 N -4.52 1.76 -0.96 1.64 4.77 0.22 -3.94 117.00 115.98 2tbd n LEU 14 Ca 0.13 -0.58 0.03 0.00 -0.03 0.00 0.00 56.01 55.56 2tbd n LEU 14 Cb 0.13 -0.02 0.15 0.00 -2.33 0.00 0.00 43.42 41.34 2tbd n LEU 14 CO 0.33 0.30 0.50 0.18 -1.33 0.00 0.00 177.39 177.37 2tbd n LEU 15 N 0.25 2.61 0.07 2.23 4.77 -0.26 -3.73 117.00 122.95 2tbd n LEU 15 Ca 0.16 -1.32 0.12 0.00 -0.03 0.00 0.00 56.01 54.94 2tbd n LEU 15 Cb 0.41 -0.52 0.17 0.00 -2.33 0.00 0.00 43.42 41.15 2tbd n LEU 15 CO 0.19 0.39 0.36 -1.28 -1.33 0.00 0.00 177.39 175.72 2tbd h SER 16 N 1.51 0.00 -1.49 -1.43 0.87 -1.68 -3.41 113.55 107.92 2tbd h SER 16 Ca 0.00 -0.17 -0.40 0.00 -1.23 0.00 0.00 61.79 59.99 2tbd h SER 16 Cb 0.97 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.65 2tbd h SER 16 CO 0.16 0.08 -0.79 2.22 -0.53 0.00 0.00 176.83 177.97 2tbd n PHE 17 N -2.22 -2.01 -4.12 2.24 1.16 -1.24 -5.13 117.46 106.14 2tbd n PHE 17 Ca 0.03 -2.57 -0.11 0.00 -1.87 0.00 0.00 57.45 52.93 2tbd n PHE 17 Cb 0.45 0.68 -0.09 0.00 -1.61 0.00 0.00 39.48 38.92 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 -0.15 1.18 -0.02 5.98 1.43 -1.26 -4.40 118.68 121.44 2tbd s LEU 18 Ca 0.32 -1.20 -0.16 0.00 -1.03 0.00 0.00 54.13 52.06 2tbd s LEU 18 Cb 0.09 0.66 -0.33 0.00 0.03 0.00 0.00 46.19 46.65 2tbd s LEU 18 CO -0.15 -0.86 0.85 0.28 0.23 0.00 0.00 176.35 176.70 2tbd h SER 19 N 2.63 0.66 -5.10 2.29 0.02 -1.86 -3.45 113.55 108.73 2tbd h SER 19 Ca -0.34 -0.92 -0.26 0.00 -0.84 0.00 0.00 61.79 59.42 2tbd h SER 19 Cb 1.23 -0.21 0.15 0.00 0.14 0.00 0.00 62.40 63.71 2tbd h SER 19 CO 0.52 1.65 -0.67 1.41 -1.14 0.00 0.00 176.83 178.59 2tbd n HIS 20 N -3.81 -1.92 -4.08 3.45 -0.00 -1.26 -5.02 115.22 102.57 2tbd n HIS 20 Ca -0.19 0.78 -0.12 0.00 -0.00 0.00 0.00 57.72 58.19 2tbd n HIS 20 Cb 1.01 -4.44 -0.04 0.00 -0.00 0.00 0.00 29.99 26.51 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 -3.49 0.22 0.10 -1.41 0.00 -1.26 -5.11 120.51 109.56 2tbd n ALA 21 Ca -0.20 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.00 2tbd n ALA 21 Cb 0.63 1.00 0.00 0.00 0.00 0.00 0.00 19.45 21.08 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 -0.41 0.00 -1.16 0.00 0.31 -1.26 -4.63 118.33 111.17 2tbd n VAL 22 Ca 0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.08 2tbd n VAL 22 Cb 0.40 -0.18 0.10 0.00 -0.91 0.00 0.00 33.84 33.25 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 -3.04 2.83 -0.79 3.52 3.01 -1.26 -3.78 117.46 117.96 2tbd n PHE 23 Ca 0.00 -2.50 -0.30 0.00 1.01 0.00 0.00 57.45 55.66 2tbd n PHE 23 Cb 0.00 -1.22 0.17 0.00 -0.01 0.00 0.00 39.48 38.43 2tbd n PHE 23 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2tbd s SER 24 N -1.30 2.74 -0.15 4.37 0.15 -1.26 -4.97 113.70 113.29 2tbd s SER 24 Ca 0.56 1.93 -0.05 0.00 0.70 0.00 0.00 55.95 59.08 2tbd s SER 24 Cb 0.44 -2.46 -0.24 0.00 -1.71 0.00 0.00 66.02 62.05 2tbd s SER 24 CO 0.02 -3.17 0.24 -3.20 1.20 0.00 0.00 173.24 168.34 2tbd n ASN 25 N -4.26 2.09 -4.64 5.45 5.15 -1.26 -4.80 115.26 112.99 2tbd n ASN 25 Ca 0.09 0.15 -0.44 0.00 -0.60 0.00 0.00 54.58 53.78 2tbd n ASN 25 Cb 0.53 -0.78 -0.01 0.00 -0.53 0.00 0.00 39.78 38.99 2tbd n ASN 25 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2tbd n ARG 26 N -3.46 1.69 -1.88 1.20 0.00 -1.26 -4.95 116.66 107.99 2tbd n ARG 26 Ca -0.35 0.59 -0.30 0.00 -0.00 0.00 0.00 57.85 57.79 2tbd n ARG 26 Cb 1.03 -2.06 0.05 0.00 0.00 0.00 0.00 32.46 31.48 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2tbd s THR 27 N -1.08 3.38 -0.13 5.15 -4.23 -1.26 -4.69 115.64 112.77 2tbd s THR 27 Ca 0.57 0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 61.36 2tbd s THR 27 Cb -0.64 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 69.81 2tbd s THR 27 CO 0.61 -0.58 0.45 -0.76 -0.54 0.00 0.00 174.62 173.80 2tbd s LEU 28 N -5.38 0.27 0.00 4.79 1.02 -0.77 -4.98 118.68 113.63 2tbd s LEU 28 Ca 0.58 0.73 0.02 0.00 0.02 0.00 0.00 54.13 55.48 2tbd s LEU 28 Cb -0.11 1.62 0.00 0.00 0.02 0.00 0.00 46.19 47.72 2tbd s LEU 28 CO 0.52 -0.27 0.36 0.00 0.02 0.00 0.00 176.35 176.97 2tbd n ALA 29 N 2.30 2.39 -3.06 4.21 0.00 -1.26 -2.55 120.51 122.53 2tbd n ALA 29 Ca -0.16 -0.31 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 2tbd n ALA 29 Cb 0.57 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 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 0.59 1.00 -0.11 0.00 0.40 -1.06 -2.42 117.98 116.39 2tbd s PHE 31 Ca -0.03 -0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 55.31 2tbd s PHE 31 Cb -0.15 -0.57 0.04 0.00 0.51 0.00 0.00 43.02 42.85 2tbd s PHE 31 CO 0.03 -0.18 0.03 0.00 0.70 0.00 0.00 175.22 175.79 2tbd s ALA 32 N -3.65 0.64 -0.72 5.36 0.00 -0.70 -2.38 121.76 120.31 2tbd s ALA 32 Ca 0.16 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 2tbd s ALA 32 Cb 0.06 -0.85 0.15 0.00 0.00 0.00 0.00 23.12 22.48 2tbd s ALA 32 CO -0.01 -0.72 0.75 0.42 0.00 0.00 0.00 175.76 176.20 2tbd s ILE 33 N 2.01 5.17 -0.44 0.00 1.01 -0.07 -2.18 121.20 126.70 2tbd s ILE 33 Ca 0.03 -1.71 -0.23 0.00 0.00 0.00 0.00 60.65 58.74 2tbd s ILE 33 Cb -0.14 -4.50 0.02 0.00 0.01 0.00 0.00 42.46 37.86 2tbd s ILE 33 CO -0.06 -1.10 0.76 -0.47 0.00 0.00 0.00 174.94 174.07 2tbd s TYR 34 N 1.57 3.02 0.13 3.97 5.04 -0.56 -1.01 117.35 129.51 2tbd s TYR 34 Ca 0.15 0.19 -0.05 0.00 -2.44 0.00 0.00 57.07 54.93 2tbd s TYR 34 Cb -0.17 -3.58 0.02 0.00 0.35 0.00 0.00 41.96 38.58 2tbd s TYR 34 CO -0.02 -0.93 0.27 0.25 -1.34 0.00 0.00 175.55 173.77 2tbd n THR 35 N 6.05 0.00 -1.04 4.34 -2.24 -0.87 -0.40 114.28 120.12 2tbd n THR 35 Ca 0.02 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.12 2tbd n THR 35 Cb 0.48 0.33 0.11 0.00 -2.10 0.00 0.00 70.33 69.15 2tbd n THR 35 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2tbd n THR 36 N -0.18 1.20 -0.09 4.28 -2.24 -1.26 -1.78 114.28 114.21 2tbd n THR 36 Ca -0.03 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 2tbd n THR 36 Cb 0.20 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.57 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 -0.97 0.42 0.00 -0.78 2.10 -1.91 -1.71 116.57 113.73 2tbd h LYS 37 Ca -0.45 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 2tbd h LYS 37 Cb 1.31 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2tbd h LYS 37 CO 0.41 0.46 0.00 -1.91 -2.00 0.00 0.00 179.45 176.40 2tbd n GLU 38 N -4.75 0.05 -0.12 0.07 4.07 -1.26 -1.62 120.64 117.08 2tbd n GLU 38 Ca -0.02 0.52 -0.23 0.00 -0.06 0.00 0.00 57.16 57.36 2tbd n GLU 38 Cb 0.14 -1.65 -0.09 0.00 -0.06 0.00 0.00 31.44 29.78 2tbd n GLU 38 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2tbd n LYS 39 N -1.74 0.57 0.27 5.31 4.81 -0.71 -4.13 118.16 122.54 2tbd n LYS 39 Ca -0.00 0.38 0.12 0.00 -0.87 0.00 0.00 58.31 57.93 2tbd n LYS 39 Cb 0.03 -1.58 0.75 0.00 0.02 0.00 0.00 35.03 34.25 2tbd n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2tbd h ALA 40 N -0.84 1.60 -0.53 3.14 0.00 -1.18 -1.61 119.26 119.84 2tbd h ALA 40 Ca -0.46 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2tbd h ALA 40 Cb 1.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2tbd h ALA 40 CO -0.28 0.07 0.14 0.00 0.00 0.00 0.00 179.25 179.18 2tbd h ALA 41 N 1.94 1.25 0.03 0.00 0.00 -1.49 0.24 119.26 121.24 2tbd h ALA 41 Ca -0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 2tbd h ALA 41 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2tbd h ALA 41 CO 0.01 0.52 -1.01 -0.07 0.00 0.00 0.00 179.25 178.71 2tbd h LEU 42 N 0.77 0.49 -0.07 0.00 3.38 -1.46 -3.07 115.31 115.36 2tbd h LEU 42 Ca 0.17 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2tbd h LEU 42 Cb 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2tbd h LEU 42 CO -0.00 1.24 0.00 0.18 0.09 0.00 0.00 178.44 179.95 2tbd n LEU 43 N -3.70 0.60 0.23 1.67 4.77 -0.99 -1.63 117.00 117.96 2tbd n LEU 43 Ca -0.07 0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 56.36 2tbd n LEU 43 Cb 0.87 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2tbd n LEU 43 CO 0.52 -0.18 0.36 0.22 -1.33 0.00 0.00 177.39 176.98 2tbd h TYR 44 N 0.00 -0.59 -0.08 -1.77 5.03 -0.43 -1.10 116.97 118.03 2tbd h TYR 44 Ca 0.00 -0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.08 2tbd h TYR 44 Cb 0.64 0.20 0.01 0.00 1.55 0.00 0.00 36.73 39.13 2tbd h TYR 44 CO 0.00 -0.29 -0.79 -0.22 -1.32 0.00 0.00 178.16 175.54 2tbd h LYS 45 N -1.08 0.68 0.07 1.82 3.64 -1.63 -2.51 116.57 117.56 2tbd h LYS 45 Ca -0.07 -0.62 0.01 0.00 -1.27 0.00 0.00 60.65 58.71 2tbd h LYS 45 Cb 0.56 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2tbd h LYS 45 CO 0.11 1.23 -0.15 0.87 -2.27 0.00 0.00 179.45 179.23 2tbd h LYS 46 N 0.35 -0.28 -0.46 1.90 1.57 -1.41 -1.86 116.57 116.38 2tbd h LYS 46 Ca -0.08 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2tbd h LYS 46 Cb 1.44 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 2tbd h LYS 46 CO 0.16 -0.19 0.24 0.82 -0.57 0.00 0.00 179.45 179.91 2tbd h ILE 47 N -0.29 1.15 0.00 1.86 1.08 -1.26 -1.58 117.51 118.46 2tbd h ILE 47 Ca 0.03 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2tbd h ILE 47 Cb 0.32 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2tbd h ILE 47 CO -0.10 0.17 0.08 0.80 -0.69 0.00 0.00 178.15 178.40 2tbd n MET 48 N -4.41 0.04 -0.01 2.37 1.56 -0.70 -1.58 117.12 114.39 2tbd n MET 48 Ca 0.04 0.50 0.00 0.00 -0.27 0.00 0.00 57.70 57.96 2tbd n MET 48 Cb 0.10 -1.71 -0.02 0.00 2.15 0.00 0.00 33.22 33.74 2tbd n MET 48 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2tbd n GLU 49 N -1.69 1.83 0.13 2.12 -0.58 -0.63 -3.50 120.64 118.32 2tbd n GLU 49 Ca -0.00 -0.01 0.07 0.00 -0.42 0.00 0.00 57.16 56.80 2tbd n GLU 49 Cb 0.09 -1.07 0.04 0.00 -0.57 0.00 0.00 31.44 29.92 2tbd n GLU 49 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2tbd h LYS 50 N 0.00 0.00 0.00 3.49 1.57 -1.06 -3.38 116.57 117.19 2tbd h LYS 50 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2tbd h LYS 50 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2tbd h LYS 50 CO 0.00 0.16 0.00 0.66 -0.57 0.00 0.00 179.45 179.70 2tbd n TYR 51 N -2.95 0.00 -4.13 -1.35 4.02 -0.61 -5.01 117.16 107.12 2tbd n TYR 51 Ca -0.00 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.90 57.59 2tbd n TYR 51 Cb 0.64 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.90 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 -0.01 0.10 -3.82 7.72 7.64 -1.17 -3.88 113.62 120.19 2tbd n SER 52 Ca 0.00 -1.13 -0.40 0.00 1.01 0.00 0.00 58.87 58.35 2tbd n SER 52 Cb 0.29 -2.38 -0.02 0.00 -1.01 0.00 0.00 64.21 61.09 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 1.34 0.06 0.44 0.24 -1.25 -4.48 118.33 110.21 2tbd n VAL 53 Ca -0.30 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.34 61.46 2tbd n VAL 53 Cb 0.68 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.04 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 0.67 1.40 -2.77 3.34 2.02 -1.84 -3.44 112.91 112.29 2tbd h THR 54 Ca -0.27 -2.33 -0.16 0.00 0.77 0.00 0.00 66.41 64.42 2tbd h THR 54 Cb 1.26 2.29 -0.29 0.00 -1.74 0.00 0.00 68.15 69.67 2tbd h THR 54 CO 0.47 0.70 -0.41 0.12 0.37 0.00 0.00 175.52 176.76 2tbd s PHE 55 N -3.41 -0.53 -0.00 3.16 2.19 -1.26 -4.96 117.98 113.17 2tbd s PHE 55 Ca -0.05 1.13 0.02 0.00 0.33 0.00 0.00 56.93 58.36 2tbd s PHE 55 Cb 0.10 0.15 -0.01 0.00 -1.31 0.00 0.00 43.02 41.95 2tbd s PHE 55 CO 0.85 -0.34 -0.07 -1.50 1.83 0.00 0.00 175.22 175.98 2tbd s ILE 56 N 1.81 0.57 0.11 3.12 2.07 -1.26 -2.63 121.20 124.99 2tbd s ILE 56 Ca -0.06 -0.38 -0.02 0.00 -1.41 0.00 0.00 60.65 58.78 2tbd s ILE 56 Cb -0.10 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.00 2tbd s ILE 56 CO -0.11 0.11 0.18 -1.20 -1.91 0.00 0.00 174.94 172.01 2tbd n SER 57 N 2.77 -0.51 -3.67 4.50 7.64 -0.82 -2.69 113.62 120.84 2tbd n SER 57 Ca -0.14 -1.51 -0.10 0.00 1.01 0.00 0.00 58.87 58.13 2tbd n SER 57 Cb 0.57 0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 64.56 2tbd n SER 57 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2tbd s ARG 58 N -2.15 0.31 0.48 1.43 3.52 -0.26 -1.63 118.95 120.65 2tbd s ARG 58 Ca 0.07 0.92 0.02 0.00 -0.13 0.00 0.00 55.73 56.60 2tbd s ARG 58 Cb -0.01 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.54 2tbd s ARG 58 CO 0.05 -0.23 0.07 -1.01 -0.81 0.00 0.00 175.30 173.37 2tbd s HIS 59 N 2.22 1.78 0.04 5.12 3.76 -0.60 -2.03 115.29 125.58 2tbd s HIS 59 Ca -0.04 -1.16 0.06 0.00 -0.15 0.00 0.00 55.06 53.77 2tbd s HIS 59 Cb -0.11 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.17 2tbd s HIS 59 CO -0.12 -0.06 -0.15 -0.80 -0.85 0.00 0.00 174.74 172.76 2tbd s ASN 60 N -3.77 4.03 0.00 1.40 0.01 -1.03 -1.45 114.94 114.13 2tbd s ASN 60 Ca 0.11 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 2tbd s ASN 60 Cb 0.01 -0.73 0.00 0.00 0.41 0.00 0.00 41.25 40.94 2tbd s ASN 60 CO 0.08 0.25 0.00 -1.54 -1.51 0.00 0.00 177.10 174.37 2tbd n SER 61 N 1.43 0.00 0.00 -1.22 3.41 -0.97 -1.90 113.62 114.37 2tbd n SER 61 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2tbd n SER 61 Cb 0.52 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.26 -0.05 0.00 7.33 4.01 -1.26 -4.79 117.16 121.14 2tbd n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2tbd n TYR 62 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.56 0.79 -1.16 7.72 4.13 -1.26 -5.11 115.26 118.82 2tbd n ASN 63 Ca 0.00 -0.20 -0.01 0.00 1.68 0.00 0.00 54.58 56.05 2tbd n ASN 63 Cb 0.00 0.56 -0.00 0.00 -1.54 0.00 0.00 39.78 38.80 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2tbd n HIS 64 N -0.64 -0.51 -4.29 3.10 8.25 -1.26 -4.94 115.22 114.92 2tbd n HIS 64 Ca 0.00 -0.19 -0.26 0.00 -0.26 0.00 0.00 57.72 57.01 2tbd n HIS 64 Cb 0.00 0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.17 4.27 -0.17 0.41 0.01 -0.73 -2.28 114.94 115.27 2tbd s ASN 65 Ca 0.02 -0.59 -0.06 0.00 -0.71 0.00 0.00 52.86 51.53 2tbd s ASN 65 Cb -0.00 -0.72 -0.03 0.00 0.41 0.00 0.00 41.25 40.90 2tbd s ASN 65 CO 0.02 0.10 0.02 -0.63 -1.51 0.00 0.00 177.10 175.09 2tbd s ILE 66 N -1.75 4.37 -0.16 0.60 1.09 -0.53 -2.04 121.20 122.78 2tbd s ILE 66 Ca 0.25 -0.18 -0.06 0.00 -1.10 0.00 0.00 60.65 59.56 2tbd s ILE 66 Cb -0.09 -2.95 -0.04 0.00 -1.06 0.00 0.00 42.46 38.33 2tbd s ILE 66 CO 0.15 0.47 0.05 -0.22 -0.10 0.00 0.00 174.94 175.30 2tbd s LEU 67 N 0.38 3.81 -0.11 2.97 2.96 -0.18 -1.55 118.68 126.95 2tbd s LEU 67 Ca -0.00 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 2tbd s LEU 67 Cb -0.13 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2tbd s LEU 67 CO 0.01 0.23 0.04 -0.36 -1.32 0.00 0.00 176.35 174.95 2tbd s PHE 68 N 0.01 3.26 -0.29 5.38 0.08 -0.65 -0.89 117.98 124.87 2tbd s PHE 68 Ca 0.06 0.22 -0.00 0.00 0.12 0.00 0.00 56.93 57.32 2tbd s PHE 68 Cb -0.12 -1.87 0.19 0.00 -0.57 0.00 0.00 43.02 40.65 2tbd s PHE 68 CO 0.01 0.45 0.74 -0.59 -0.10 0.00 0.00 175.22 175.73 2tbd s PHE 69 N -0.65 -1.39 0.00 0.36 -0.71 -1.00 -1.94 117.98 112.64 2tbd s PHE 69 Ca 0.11 0.85 0.00 0.00 -1.04 0.00 0.00 56.93 56.85 2tbd s PHE 69 Cb -0.12 0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.94 2tbd s PHE 69 CO 0.02 -0.81 0.00 1.28 -1.34 0.00 0.00 175.22 174.37 2tbd n LEU 70 N 5.32 0.00 -3.53 -1.99 4.77 -1.08 -2.55 117.00 117.95 2tbd n LEU 70 Ca 0.06 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.86 2tbd n LEU 70 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 2tbd n LEU 70 CO -0.09 -0.44 0.45 0.42 -1.33 0.00 0.00 177.39 176.40 2tbd s THR 71 N -0.60 0.00 0.00 -5.08 -4.23 0.14 -3.80 115.64 102.08 2tbd s THR 71 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2tbd s THR 71 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2tbd s THR 71 CO 0.00 0.00 0.15 -0.81 -0.54 0.00 0.00 174.62 173.42 2tbd n PRO 72 N 0.98 0.00 -0.46 3.99 -0.04 -1.25 -4.75 135.00 133.46 2tbd n PRO 72 Ca -0.19 0.41 -0.28 0.00 -0.04 0.00 0.00 63.50 63.40 2tbd n PRO 72 Cb 0.57 -0.99 0.27 0.00 -0.04 0.00 0.00 33.50 33.31 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 -1.72 -1.50 -3.96 0.54 1.44 -1.26 -4.99 115.22 103.77 2tbd n HIS 73 Ca 0.00 -0.21 -0.31 0.00 -2.01 0.00 0.00 57.72 55.20 2tbd n HIS 73 Cb 0.00 -1.66 -0.05 0.00 0.12 0.00 0.00 29.99 28.40 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 -4.34 3.28 -0.01 -1.40 0.52 -1.26 -4.76 118.95 110.98 2tbd s ARG 74 Ca 0.68 -0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 55.22 2tbd s ARG 74 Cb -0.25 -2.95 0.03 0.00 0.52 0.00 0.00 34.95 32.30 2tbd s ARG 74 CO 0.66 0.59 0.33 -1.01 0.02 0.00 0.00 175.30 175.90 2tbd s HIS 75 N -1.48 -0.20 0.36 -0.53 3.76 -1.06 -4.98 115.29 111.17 2tbd s HIS 75 Ca 0.33 0.27 -0.25 0.00 -0.15 0.00 0.00 55.06 55.27 2tbd s HIS 75 Cb -0.13 0.12 -0.10 0.00 1.11 0.00 0.00 32.58 33.58 2tbd s HIS 75 CO 0.26 -0.42 0.98 1.03 -0.85 0.00 0.00 174.74 175.74 2tbd s ARG 76 N -1.51 4.40 0.17 1.40 0.52 -1.26 -1.85 118.95 120.82 2tbd s ARG 76 Ca -0.12 1.36 0.12 0.00 -0.52 0.00 0.00 55.73 56.57 2tbd s ARG 76 Cb -0.04 -2.63 0.63 0.00 0.52 0.00 0.00 34.95 33.42 2tbd s ARG 76 CO 0.03 0.10 1.35 0.28 0.02 0.00 0.00 175.30 177.09 2tbd n VAL 77 N 0.20 1.49 0.06 3.52 0.31 -1.26 -1.34 118.33 121.30 2tbd n VAL 77 Ca 0.04 0.63 -0.21 0.00 -0.01 0.00 0.00 64.34 64.79 2tbd n VAL 77 Cb 0.50 -1.63 -0.13 0.00 -0.91 0.00 0.00 33.84 31.68 2tbd n VAL 77 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2tbd h SER 78 N 0.00 0.72 0.10 4.52 0.02 -1.90 0.30 113.55 117.30 2tbd h SER 78 Ca 0.00 -0.83 -0.00 0.00 -0.84 0.00 0.00 61.79 60.12 2tbd h SER 78 Cb 0.00 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2tbd h SER 78 CO 0.00 1.47 -0.05 0.00 -1.14 0.00 0.00 176.83 177.12 2tbd h ALA 79 N 0.26 -0.13 -0.54 3.77 0.00 -1.59 -1.69 119.26 119.34 2tbd h ALA 79 Ca -0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2tbd h ALA 79 Cb 1.70 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 2tbd h ALA 79 CO 0.19 -0.37 0.21 0.82 0.00 0.00 0.00 179.25 180.10 2tbd h ILE 80 N -0.53 1.20 0.00 0.00 1.08 -1.60 -0.08 117.51 117.58 2tbd h ILE 80 Ca -0.01 -0.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 2tbd h ILE 80 Cb 0.44 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 34.75 2tbd h ILE 80 CO 0.02 0.25 -0.07 -1.13 -0.69 0.00 0.00 178.15 176.53 2tbd h ASN 81 N 0.78 0.00 0.39 1.72 -1.24 -0.76 -1.16 115.58 115.30 2tbd h ASN 81 Ca 0.19 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.05 2tbd h ASN 81 Cb 0.16 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 2tbd h ASN 81 CO -0.02 0.07 -0.59 -1.13 -1.29 0.00 0.00 177.43 174.47 2tbd h ASN 82 N 0.00 0.24 0.23 1.15 -1.24 -0.04 -0.57 115.58 115.34 2tbd h ASN 82 Ca -0.00 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 56.87 2tbd h ASN 82 Cb 0.20 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.19 2tbd h ASN 82 CO 0.01 0.77 -0.11 0.22 -1.29 0.00 0.00 177.43 177.03 2tbd h TYR 83 N 0.16 -0.28 -0.61 0.67 3.20 -1.14 -1.23 116.97 117.74 2tbd h TYR 83 Ca -0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2tbd h TYR 83 Cb 1.09 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 2tbd h TYR 83 CO 0.02 -0.17 0.36 0.00 -1.64 0.00 0.00 178.16 176.73 2tbd h ALA 84 N -1.16 0.79 0.00 1.82 0.00 -1.58 -1.08 119.26 118.04 2tbd h ALA 84 Ca -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2tbd h ALA 84 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2tbd h ALA 84 CO 0.05 0.09 -0.26 1.96 0.00 0.00 0.00 179.25 181.09 2tbd h GLN 85 N 0.71 0.00 0.00 0.00 1.08 -1.22 -1.45 115.11 114.23 2tbd h GLN 85 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 2tbd h GLN 85 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2tbd h GLN 85 CO -0.11 0.26 0.00 1.17 -0.95 0.00 0.00 178.83 179.20 2tbd n LYS 86 N -3.74 0.17 -0.46 1.46 0.00 -0.42 -1.68 118.16 113.48 2tbd n LYS 86 Ca -0.01 0.16 0.10 0.00 0.00 0.00 0.00 58.31 58.56 2tbd n LYS 86 Cb 0.37 -1.50 0.33 0.00 0.00 0.00 0.00 35.03 34.23 2tbd n LYS 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2tbd n LEU 87 N -1.34 4.25 -3.60 3.14 4.77 -0.54 -4.69 117.00 118.98 2tbd n LEU 87 Ca 0.07 -2.20 -0.41 0.00 -0.03 0.00 0.00 56.01 53.44 2tbd n LEU 87 Cb 0.14 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2tbd n LEU 87 CO 0.13 0.90 2.66 0.00 -1.33 0.00 0.00 177.39 179.75 2tbd n THR 89 N 3.65 0.00 -1.60 0.00 -2.24 -1.26 -4.83 114.28 108.00 2tbd n THR 89 Ca 0.58 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 2tbd n THR 89 Cb 0.31 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.00 0.00 4.78 -1.74 -1.26 -5.13 117.46 114.12 2tbd n PHE 90 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2tbd n PHE 90 Cb 0.46 0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.51 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 -4.29 5.98 3.41 -1.26 -5.07 113.62 112.39 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 0.55 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.74 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 1.10 -0.27 7.33 -0.71 -1.26 -4.72 117.98 117.45 2tbd s PHE 92 Ca 0.00 0.95 -0.21 0.00 -1.04 0.00 0.00 56.93 56.62 2tbd s PHE 92 Cb 0.00 -3.13 0.07 0.00 -1.21 0.00 0.00 43.02 38.75 2tbd s PHE 92 CO 0.00 -3.90 0.71 -1.17 -1.34 0.00 0.00 175.22 169.53 2tbd s LEU 93 N -7.16 -0.82 -0.52 -1.99 0.20 -1.26 -4.44 118.68 102.69 2tbd s LEU 93 Ca 0.68 1.47 0.07 0.00 0.69 0.00 0.00 54.13 57.04 2tbd s LEU 93 Cb -0.20 2.43 0.27 0.00 -0.43 0.00 0.00 46.19 48.26 2tbd s LEU 93 CO 0.61 -0.24 0.70 -0.38 -0.29 0.00 0.00 176.35 176.75 2tbd n ILE 94 N 3.33 1.15 -2.94 6.68 -0.00 0.46 -4.96 119.36 123.08 2tbd n ILE 94 Ca -0.16 -4.80 -0.43 0.00 -0.00 0.00 0.00 62.75 57.36 2tbd n ILE 94 Cb 0.57 -1.75 -0.05 0.00 -0.00 0.00 0.00 39.64 38.40 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 3.57 1.91 0.56 0.00 2.20 -0.93 -4.89 119.74 122.17 2tbd s LYS 96 Ca 0.24 -2.14 -0.04 0.00 -0.36 0.00 0.00 55.97 53.67 2tbd s LYS 96 Cb -0.15 -1.08 0.01 0.00 -1.51 0.00 0.00 37.83 35.09 2tbd s LYS 96 CO 0.15 -0.29 0.85 0.20 -0.36 0.00 0.00 175.35 175.91 2tbd s GLY 97 N -3.65 1.61 0.17 5.54 0.00 -1.26 -1.72 107.32 108.01 2tbd s GLY 97 Ca 0.25 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 44.17 2tbd s GLY 97 CO 0.13 -0.56 -0.01 0.14 0.00 0.00 0.00 173.10 172.80 2tbd s VAL 98 N -2.90 0.69 -0.07 1.40 1.01 -1.02 -3.63 120.40 115.88 2tbd s VAL 98 Ca 0.53 -1.98 0.06 0.00 0.00 0.00 0.00 61.98 60.59 2tbd s VAL 98 Cb -0.10 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 2tbd s VAL 98 CO 0.43 -0.51 0.16 0.59 0.00 0.00 0.00 175.10 175.76 2tbd n ASN 99 N -0.22 2.86 -3.40 3.32 4.13 -1.26 -4.68 115.26 116.01 2tbd n ASN 99 Ca -0.07 -0.15 -0.21 0.00 1.68 0.00 0.00 54.58 55.84 2tbd n ASN 99 Cb 0.63 1.21 -0.09 0.00 -1.54 0.00 0.00 39.78 39.99 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2tbd s LYS 100 N -2.21 0.57 0.17 3.52 2.20 -1.26 -4.99 119.74 117.73 2tbd s LYS 100 Ca -0.01 -0.93 -0.08 0.00 -0.36 0.00 0.00 55.97 54.59 2tbd s LYS 100 Cb 0.04 -0.90 0.03 0.00 -1.51 0.00 0.00 37.83 35.49 2tbd s LYS 100 CO 0.25 -1.18 1.52 1.49 -0.36 0.00 0.00 175.35 177.07 2tbd h GLU 101 N 7.19 0.87 -0.90 4.03 4.57 -1.93 -2.54 114.58 125.86 2tbd h GLU 101 Ca 0.03 -0.43 0.18 0.00 -1.18 0.00 0.00 59.36 57.96 2tbd h GLU 101 Cb 1.03 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.55 2tbd h GLU 101 CO 0.24 1.08 0.59 -0.92 -1.18 0.00 0.00 179.01 178.81 2tbd h TYR 102 N 0.73 0.67 0.01 0.92 5.03 -1.94 -1.46 116.97 120.93 2tbd h TYR 102 Ca 0.07 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.40 2tbd h TYR 102 Cb 0.91 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.99 2tbd h TYR 102 CO 0.05 0.19 -0.01 -0.07 -1.32 0.00 0.00 178.16 177.01 2tbd h LEU 103 N 0.52 -0.01 -1.33 2.82 3.38 -1.92 -1.87 115.31 116.90 2tbd h LEU 103 Ca 0.47 0.00 0.44 0.00 0.09 0.00 0.00 57.88 58.88 2tbd h LEU 103 Cb 1.01 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 2tbd h LEU 103 CO -0.21 0.27 0.88 0.80 0.09 0.00 0.00 178.44 180.27 2tbd n MET 104 N -3.58 -0.03 0.01 1.13 1.56 -0.98 0.18 117.12 115.42 2tbd n MET 104 Ca -0.00 1.08 -0.18 0.00 -0.27 0.00 0.00 57.70 58.33 2tbd n MET 104 Cb 0.01 -2.19 -0.14 0.00 2.15 0.00 0.00 33.22 33.05 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 0.40 0.60 1.12 5.03 -1.35 -2.03 116.97 120.74 2tbd h TYR 105 Ca 0.79 -0.28 -0.02 0.00 2.58 0.00 0.00 58.73 61.80 2tbd h TYR 105 Cb 2.68 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 40.93 2tbd h TYR 105 CO -0.00 1.19 -0.41 0.77 -1.32 0.00 0.00 178.16 178.38 2tbd h SER 106 N -0.50 -1.06 -0.72 -2.11 0.02 0.28 -0.79 113.55 108.67 2tbd h SER 106 Ca -0.09 0.07 0.14 0.00 -0.84 0.00 0.00 61.79 61.07 2tbd h SER 106 Cb 1.40 0.32 -0.05 0.00 0.14 0.00 0.00 62.40 64.22 2tbd h SER 106 CO 0.10 -0.61 0.49 0.00 -1.14 0.00 0.00 176.83 175.67 2tbd h ALA 107 N -1.25 2.14 -0.56 3.77 0.00 -1.08 0.16 119.26 122.43 2tbd h ALA 107 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2tbd h ALA 107 Cb 0.78 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2tbd h ALA 107 CO 0.05 -0.33 0.29 -0.07 0.00 0.00 0.00 179.25 179.20 2tbd h LEU 108 N 0.38 0.70 -0.21 0.00 3.38 -0.53 -0.90 115.31 118.13 2tbd h LEU 108 Ca 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2tbd h LEU 108 Cb 0.83 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2tbd h LEU 108 CO -0.10 0.58 -0.04 0.71 0.09 0.00 0.00 178.44 179.67 2tbd h THR 109 N 0.79 0.08 -3.37 0.22 1.35 0.67 -3.28 112.91 109.37 2tbd h THR 109 Ca 0.20 -1.03 -0.59 0.00 -0.55 0.00 0.00 66.41 64.44 2tbd h THR 109 Cb 0.05 1.97 -0.08 0.00 -1.73 0.00 0.00 68.15 68.35 2tbd h THR 109 CO -0.03 0.04 0.23 -0.13 -0.25 0.00 0.00 175.52 175.38 2tbd s ARG 110 N -3.26 4.26 0.88 4.72 1.81 -0.34 -4.82 118.95 122.20 2tbd s ARG 110 Ca 0.06 0.80 -0.17 0.00 -1.72 0.00 0.00 55.73 54.70 2tbd s ARG 110 Cb 0.06 -3.57 -0.13 0.00 -0.45 0.00 0.00 34.95 30.87 2tbd s ARG 110 CO 0.66 -0.26 -0.48 -0.25 -0.68 0.00 0.00 175.30 174.30 2tbd n ASP 111 N 5.04 -4.91 -0.19 0.23 8.00 -1.26 -2.26 116.55 121.21 2tbd n ASP 111 Ca 0.01 0.31 0.01 0.00 0.71 0.00 0.00 54.79 55.83 2tbd n ASP 111 Cb 0.49 -0.85 0.02 0.00 -0.02 0.00 0.00 41.12 40.76 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 1.70 1.11 -2.71 -0.24 -0.04 -1.26 -5.03 135.00 128.53 2tbd n PRO 112 Ca 0.02 -0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 2tbd n PRO 112 Cb 0.54 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.75 3.30 0.76 0.54 0.08 -0.96 -4.84 117.98 115.11 2tbd s PHE 113 Ca 0.03 1.35 -0.03 0.00 0.12 0.00 0.00 56.93 58.40 2tbd s PHE 113 Cb 0.01 -3.29 0.14 0.00 -0.57 0.00 0.00 43.02 39.31 2tbd s PHE 113 CO 0.01 -0.51 1.04 -1.12 -0.10 0.00 0.00 175.22 174.55 2tbd s SER 114 N 1.31 4.15 0.01 1.36 0.01 -0.80 -4.02 113.70 115.72 2tbd s SER 114 Ca 0.42 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.42 2tbd s SER 114 Cb -0.15 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 2tbd s SER 114 CO 0.08 -2.00 -0.17 -0.69 0.41 0.00 0.00 173.24 170.87 2tbd s VAL 115 N -3.25 1.31 -0.03 3.43 1.01 -1.26 -2.46 120.40 119.15 2tbd s VAL 115 Ca 0.68 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 2tbd s VAL 115 Cb -0.05 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2tbd s VAL 115 CO 0.46 0.27 -0.12 -0.38 0.00 0.00 0.00 175.10 175.32 2tbd n ILE 116 N 2.40 0.90 -3.53 2.22 5.41 -0.86 -4.82 119.36 121.09 2tbd n ILE 116 Ca -0.16 0.27 -0.17 0.00 1.00 0.00 0.00 62.75 63.69 2tbd n ILE 116 Cb 0.54 -1.75 -0.06 0.00 -0.71 0.00 0.00 39.64 37.67 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 -1.98 1.03 0.06 0.38 8.01 -0.97 -5.03 118.70 120.21 2tbd s GLU 117 Ca -0.10 0.33 0.01 0.00 0.01 0.00 0.00 54.97 55.21 2tbd s GLU 117 Cb 0.01 0.49 -0.00 0.00 -4.31 0.00 0.00 34.13 30.32 2tbd s GLU 117 CO 0.15 -0.30 0.02 -0.85 0.01 0.00 0.00 175.26 174.29 2tbd n GLU 118 N 1.08 0.83 0.00 1.61 -0.00 -1.26 -1.10 120.64 121.79 2tbd n GLU 118 Ca -0.18 -0.52 0.00 0.00 -0.00 0.00 0.00 57.16 56.46 2tbd n GLU 118 Cb 0.57 0.29 0.00 0.00 -0.00 0.00 0.00 31.44 32.30 2tbd n GLU 118 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2tbd n SER 119 N -2.03 0.29 -4.60 -1.84 3.41 -1.10 -4.96 113.62 102.79 2tbd n SER 119 Ca -0.01 -1.09 -0.32 0.00 -0.26 0.00 0.00 58.87 57.19 2tbd n SER 119 Cb 0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2tbd s LEU 120 N -0.09 3.18 0.11 1.04 2.01 -1.26 -4.96 118.68 118.71 2tbd s LEU 120 Ca 0.00 -0.12 0.02 0.00 0.01 0.00 0.00 54.13 54.04 2tbd s LEU 120 Cb 0.00 -1.80 -0.19 0.00 0.01 0.00 0.00 46.19 44.21 2tbd s LEU 120 CO 0.00 0.30 1.25 1.55 1.01 0.00 0.00 176.35 180.46 2tbd h PRO 121 N 4.65 0.14 -0.50 1.29 0.13 -1.99 -3.26 132.00 132.45 2tbd h PRO 121 Ca -0.48 -0.21 -0.12 0.00 -0.87 0.00 0.00 66.00 64.32 2tbd h PRO 121 Cb 1.17 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2tbd h PRO 121 CO 0.53 1.07 0.10 0.41 -0.23 0.00 0.00 178.00 179.88 2tbd n GLY 122 N 1.30 3.92 7.00 1.56 0.00 -1.26 -5.03 105.19 112.68 2tbd n GLY 122 Ca -0.04 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.35 3.31 2.87 -0.02 0.00 -1.23 -4.05 105.19 105.71 2tbd n GLY 123 Ca 0.32 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 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 2.47 0.00 0.99 1.43 -1.26 -4.81 118.68 117.50 2tbd s LEU 124 Ca 0.00 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 2tbd s LEU 124 Cb 0.00 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.16 2tbd s LEU 124 CO 0.00 -0.30 0.00 1.17 0.23 0.00 0.00 176.35 177.45 2tbd n LYS 125 N 4.73 0.00 -1.50 1.70 0.00 -1.26 -4.93 118.16 116.91 2tbd n LYS 125 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 57.96 2tbd n LYS 125 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.41 2tbd n LYS 125 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2tbd n GLU 126 N -0.81 2.55 0.00 1.64 0.00 -1.26 -4.70 120.64 118.06 2tbd n GLU 126 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 57.16 54.82 2tbd n GLU 126 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 31.44 29.27 2tbd n GLU 126 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2tbd n HIS 127 N 1.05 0.00 -1.98 4.31 8.25 -1.26 -4.99 115.22 120.61 2tbd n HIS 127 Ca 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 2tbd n HIS 127 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 0.00 0.00 0.00 0.41 -0.08 -1.26 -4.98 116.55 110.64 2tbd n ASP 128 Ca 0.00 -1.37 0.00 0.00 -1.51 0.00 0.00 54.79 51.91 2tbd n ASP 128 Cb 0.00 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.39 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 0.00 0.00 -4.08 -0.67 3.72 -1.26 -4.96 117.46 110.21 2tbd n PHE 129 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 2tbd n PHE 129 Cb 0.57 -0.35 -0.16 0.00 -0.94 0.00 0.00 39.48 38.61 2tbd n PHE 129 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2tbd s ASN 130 N -3.00 0.65 1.03 4.37 3.84 -1.26 -5.14 114.94 115.43 2tbd s ASN 130 Ca 0.00 -0.08 -0.15 0.00 0.21 0.00 0.00 52.86 52.84 2tbd s ASN 130 Cb 0.00 -0.28 0.20 0.00 -0.55 0.00 0.00 41.25 40.62 2tbd s ASN 130 CO 0.00 -0.05 1.09 -0.81 -2.79 0.00 0.00 177.10 174.54 2tbd n PRO 131 N 3.84 -1.38 -1.78 0.43 -0.04 -1.26 -4.88 135.00 129.93 2tbd n PRO 131 Ca -0.24 -1.69 -0.33 0.00 -0.04 0.00 0.00 63.50 61.20 2tbd n PRO 131 Cb 0.52 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 2tbd n PRO 131 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2tbd n GLU 132 N -3.53 3.21 -1.93 0.54 2.13 -1.26 -4.92 120.64 114.88 2tbd n GLU 132 Ca 0.14 -3.02 -0.25 0.00 0.66 0.00 0.00 57.16 54.69 2tbd n GLU 132 Cb 0.49 -2.30 -0.05 0.00 0.27 0.00 0.00 31.44 29.85 2tbd n GLU 132 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2tbd s SER 133 N -0.07 4.86 0.00 4.31 0.15 -1.26 -5.32 113.70 116.37 2tbd s SER 133 Ca 0.55 -0.38 0.32 0.00 0.70 0.00 0.00 55.95 57.14 2tbd s SER 133 Cb 0.33 -2.55 1.89 0.00 -1.71 0.00 0.00 66.02 63.98 2tbd s SER 133 CO -0.23 -2.97 2.22 -1.54 1.20 0.00 0.00 173.24 171.92