#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 -6.58 -4.55 1.61 2.88 -1.26 -4.21 113.62 101.51 2tbd n SER 2 Ca 0.00 0.86 -0.37 0.00 -1.33 0.00 0.00 58.87 58.03 2tbd n SER 2 Cb 0.00 -4.03 -0.03 0.00 -0.75 0.00 0.00 64.21 59.40 2tbd n SER 2 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2tbd s LYS 3 N -3.48 2.62 0.15 -1.46 -0.14 -1.26 -4.91 119.74 111.27 2tbd s LYS 3 Ca 0.00 0.49 -0.32 0.00 -1.36 0.00 0.00 55.97 54.77 2tbd s LYS 3 Cb 0.00 -4.47 -0.17 0.00 -1.68 0.00 0.00 37.83 31.51 2tbd s LYS 3 CO 0.00 -2.81 0.87 1.55 -0.76 0.00 0.00 175.35 174.20 2tbd n VAL 4 N 7.29 1.21 -4.45 3.17 3.14 -1.26 -4.96 118.33 122.47 2tbd n VAL 4 Ca 0.23 -0.30 -0.26 0.00 -2.96 0.00 0.00 64.34 61.04 2tbd n VAL 4 Cb 0.51 -0.30 -0.04 0.00 -1.06 0.00 0.00 33.84 32.95 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2tbd n GLU 5 N 1.29 0.94 -1.48 1.45 4.71 -1.26 -5.02 120.64 121.28 2tbd n GLU 5 Ca 0.17 -3.03 -0.48 0.00 -0.01 0.00 0.00 57.16 53.81 2tbd n GLU 5 Cb 0.21 0.71 -0.07 0.00 -1.01 0.00 0.00 31.44 31.28 2tbd n GLU 5 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2tbd n ASP 6 N -1.39 2.21 -4.66 1.62 9.92 -1.26 -4.87 116.55 118.12 2tbd n ASP 6 Ca -0.14 0.28 -0.43 0.00 -0.53 0.00 0.00 54.79 53.97 2tbd n ASP 6 Cb 0.53 -1.32 -0.02 0.00 -0.64 0.00 0.00 41.12 39.67 2tbd n ASP 6 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2tbd s PRO 7 N 6.60 4.21 -0.12 -0.24 0.04 -1.26 -4.90 135.00 139.32 2tbd s PRO 7 Ca 1.09 1.45 0.15 0.00 0.04 0.00 0.00 61.00 63.73 2tbd s PRO 7 Cb -0.74 -3.71 0.56 0.00 0.04 0.00 0.00 34.50 30.65 2tbd s PRO 7 CO 0.45 -0.72 1.47 1.17 0.04 0.00 0.00 177.00 179.41 2tbd n LYS 8 N 6.55 3.34 -3.35 4.56 4.81 -1.26 -4.93 118.16 127.88 2tbd n LYS 8 Ca 0.13 -2.70 -0.05 0.00 -0.87 0.00 0.00 58.31 54.82 2tbd n LYS 8 Cb 0.46 -1.77 0.02 0.00 0.02 0.00 0.00 35.03 33.76 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2tbd n ASP 9 N 0.29 -1.68 -4.90 3.14 5.68 -1.26 -4.94 116.55 112.88 2tbd n ASP 9 Ca 0.21 -2.05 -0.29 0.00 -0.50 0.00 0.00 54.79 52.16 2tbd n ASP 9 Cb 0.81 2.77 0.05 0.00 -1.14 0.00 0.00 41.12 43.61 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2tbd s PHE 10 N -3.12 3.25 0.57 2.11 0.40 -1.26 -5.05 117.98 114.87 2tbd s PHE 10 Ca 0.16 0.87 -0.15 0.00 -0.60 0.00 0.00 56.93 57.20 2tbd s PHE 10 Cb -0.03 -3.02 -0.05 0.00 0.51 0.00 0.00 43.02 40.43 2tbd s PHE 10 CO 0.07 -1.14 1.02 -1.25 0.70 0.00 0.00 175.22 174.62 2tbd s PRO 11 N -5.26 3.64 0.34 0.24 0.04 -1.26 -4.90 135.00 127.83 2tbd s PRO 11 Ca 0.57 1.00 0.07 0.00 0.04 0.00 0.00 61.00 62.69 2tbd s PRO 11 Cb -0.11 -2.09 0.61 0.00 0.04 0.00 0.00 34.50 32.95 2tbd s PRO 11 CO 0.49 -0.54 1.82 0.66 0.04 0.00 0.00 177.00 179.47 2tbd h SER 12 N 0.48 0.30 0.00 6.66 4.64 -1.98 -1.21 113.55 122.45 2tbd h SER 12 Ca -0.46 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2tbd h SER 12 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2tbd h SER 12 CO 0.60 0.53 0.00 1.21 -0.87 0.00 0.00 176.83 178.30 2tbd n GLU 13 N -4.18 0.14 -0.00 4.77 4.07 -1.26 -1.39 120.64 122.80 2tbd n GLU 13 Ca -0.01 0.64 0.04 0.00 -0.06 0.00 0.00 57.16 57.78 2tbd n GLU 13 Cb 0.35 -1.98 -0.06 0.00 -0.06 0.00 0.00 31.44 29.69 2tbd n GLU 13 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2tbd n LEU 14 N -2.28 0.04 0.00 4.31 4.32 -0.66 -4.43 117.00 118.31 2tbd n LEU 14 Ca -0.01 -0.06 0.07 0.00 -0.02 0.00 0.00 56.01 55.98 2tbd n LEU 14 Cb 0.04 0.00 0.34 0.00 -1.62 0.00 0.00 43.42 42.18 2tbd n LEU 14 CO 0.10 0.01 0.68 0.18 -1.22 0.00 0.00 177.39 177.14 2tbd n LEU 15 N -1.70 0.00 0.29 2.23 4.77 -0.48 -2.42 117.00 119.68 2tbd n LEU 15 Ca -0.01 0.29 0.19 0.00 -0.03 0.00 0.00 56.01 56.45 2tbd n LEU 15 Cb 0.19 -0.29 0.88 0.00 -2.33 0.00 0.00 43.42 41.88 2tbd n LEU 15 CO 0.16 -0.16 1.06 0.28 -1.33 0.00 0.00 177.39 177.40 2tbd h SER 16 N 0.00 0.00 -1.45 -1.43 0.02 -1.76 -3.35 113.55 105.58 2tbd h SER 16 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2tbd h SER 16 Cb 0.13 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.44 2tbd h SER 16 CO 0.00 0.00 -0.65 0.72 -1.14 0.00 0.00 176.83 175.76 2tbd s PHE 17 N -3.83 -0.74 0.00 3.45 -0.12 -1.02 -5.14 117.98 110.59 2tbd s PHE 17 Ca -0.01 -1.14 0.00 0.00 -0.05 0.00 0.00 56.93 55.73 2tbd s PHE 17 Cb 0.10 -0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.41 2tbd s PHE 17 CO 0.47 -1.13 0.00 1.28 -0.05 0.00 0.00 175.22 175.78 2tbd n LEU 18 N 2.93 0.00 -0.12 -1.99 4.77 -1.26 -4.18 117.00 117.15 2tbd n LEU 18 Ca 0.22 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.99 2tbd n LEU 18 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 2tbd n LEU 18 CO 0.01 0.00 -1.29 -0.24 -1.33 0.00 0.00 177.39 174.55 2tbd n SER 19 N -1.66 1.99 -1.26 -1.43 2.88 -1.23 -3.87 113.62 109.03 2tbd n SER 19 Ca 0.00 0.01 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2tbd n SER 19 Cb 0.00 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 62.87 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2tbd n HIS 20 N -3.51 -0.31 -3.61 0.66 -0.00 -1.26 -4.97 115.22 102.23 2tbd n HIS 20 Ca -0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.22 2tbd n HIS 20 Cb 0.97 -2.64 -0.06 0.00 -0.00 0.00 0.00 29.99 28.25 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd s ALA 21 N -2.58 -1.66 -1.58 -1.41 0.00 -1.26 -5.00 121.76 108.27 2tbd s ALA 21 Ca 0.00 1.91 0.29 0.00 0.00 0.00 0.00 51.96 54.15 2tbd s ALA 21 Cb 0.00 -1.62 1.22 0.00 0.00 0.00 0.00 23.12 22.72 2tbd s ALA 21 CO 0.00 -0.90 1.86 0.28 0.00 0.00 0.00 175.76 177.00 2tbd n VAL 22 N 5.42 0.00 0.00 0.00 0.31 -1.26 -4.33 118.33 118.47 2tbd n VAL 22 Ca -0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2tbd n VAL 22 Cb 0.49 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 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 -1.02 0.00 -1.43 3.52 3.01 -1.26 -2.68 117.46 117.60 2tbd n PHE 23 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.67 2tbd n PHE 23 Cb 0.28 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.71 2tbd n PHE 23 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2tbd n SER 24 N 0.00 -7.73 0.11 4.37 7.64 -1.26 -4.63 113.62 112.12 2tbd n SER 24 Ca 0.00 1.61 -0.17 0.00 1.01 0.00 0.00 58.87 61.32 2tbd n SER 24 Cb 0.00 -4.71 -0.14 0.00 -1.01 0.00 0.00 64.21 58.35 2tbd n SER 24 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2tbd h ASN 25 N -0.46 0.51 -4.05 6.43 -1.24 -2.00 -3.46 115.58 111.30 2tbd h ASN 25 Ca -0.08 -0.54 -0.54 0.00 0.71 0.00 0.00 56.30 55.85 2tbd h ASN 25 Cb 1.08 -0.16 0.18 0.00 0.73 0.00 0.00 38.32 40.14 2tbd h ASN 25 CO 0.03 1.42 0.28 0.54 -1.29 0.00 0.00 177.43 178.40 2tbd n ARG 26 N -3.57 0.38 -4.29 6.67 1.74 -1.26 -4.99 116.66 111.34 2tbd n ARG 26 Ca -0.10 0.20 -0.34 0.00 -0.77 0.00 0.00 57.85 56.84 2tbd n ARG 26 Cb 1.03 -2.38 -0.13 0.00 -1.02 0.00 0.00 32.46 29.96 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2tbd s THR 27 N -1.95 3.68 0.05 0.55 -4.23 -1.26 -4.78 115.64 107.70 2tbd s THR 27 Ca 0.74 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.91 2tbd s THR 27 Cb -0.32 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 2tbd s THR 27 CO 0.50 0.47 -0.19 -0.76 -0.54 0.00 0.00 174.62 174.10 2tbd s LEU 28 N 0.72 2.58 0.00 4.79 1.02 -1.24 -4.91 118.68 121.64 2tbd s LEU 28 Ca -0.02 -0.46 0.14 0.00 0.02 0.00 0.00 54.13 53.81 2tbd s LEU 28 Cb -0.15 -1.50 -0.08 0.00 0.02 0.00 0.00 46.19 44.49 2tbd s LEU 28 CO 0.02 0.25 0.68 0.00 0.02 0.00 0.00 176.35 177.32 2tbd n ALA 29 N 1.49 3.48 -2.68 4.21 0.00 -1.26 -3.74 120.51 122.01 2tbd n ALA 29 Ca -0.16 -0.45 -0.39 0.00 0.00 0.00 0.00 53.44 52.44 2tbd n ALA 29 Cb 0.52 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 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 1.36 1.91 -0.34 0.00 0.40 -1.01 -2.26 117.98 118.04 2tbd s PHE 31 Ca 0.23 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 2tbd s PHE 31 Cb -0.15 -1.26 0.09 0.00 0.51 0.00 0.00 43.02 42.21 2tbd s PHE 31 CO 0.09 -0.14 0.06 0.00 0.70 0.00 0.00 175.22 175.93 2tbd s ALA 32 N -0.15 2.90 -0.48 5.36 0.00 -0.77 -2.21 121.76 126.41 2tbd s ALA 32 Ca -0.00 -2.29 -0.18 0.00 0.00 0.00 0.00 51.96 49.49 2tbd s ALA 32 Cb -0.11 -2.02 0.06 0.00 0.00 0.00 0.00 23.12 21.05 2tbd s ALA 32 CO 0.02 -1.57 0.52 0.42 0.00 0.00 0.00 175.76 175.14 2tbd s ILE 33 N 1.05 5.03 -0.32 0.00 1.01 -0.87 -2.51 121.20 124.60 2tbd s ILE 33 Ca 0.04 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 2tbd s ILE 33 Cb -0.20 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 2tbd s ILE 33 CO -0.05 -0.68 0.36 -0.47 0.00 0.00 0.00 174.94 174.10 2tbd s TYR 34 N 2.21 3.22 0.28 3.97 5.04 -0.63 -0.34 117.35 131.10 2tbd s TYR 34 Ca 0.11 0.11 -0.20 0.00 -2.44 0.00 0.00 57.07 54.64 2tbd s TYR 34 Cb -0.21 -2.64 0.04 0.00 0.35 0.00 0.00 41.96 39.50 2tbd s TYR 34 CO 0.10 -0.37 0.79 0.95 -1.34 0.00 0.00 175.55 175.69 2tbd s THR 35 N 2.03 0.00 0.55 4.34 -4.23 -1.03 -0.57 115.64 116.73 2tbd s THR 35 Ca 0.13 -0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 59.53 2tbd s THR 35 Cb -0.16 -2.26 -0.12 0.00 1.34 0.00 0.00 72.50 71.30 2tbd s THR 35 CO 0.11 0.00 0.14 0.35 -0.54 0.00 0.00 174.62 174.68 2tbd n THR 36 N -0.49 0.95 -0.17 3.99 -2.24 -1.26 -2.09 114.28 112.97 2tbd n THR 36 Ca -0.05 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.16 2tbd n THR 36 Cb 0.59 -0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.05 0.68 0.00 -0.78 2.10 -1.82 -1.16 116.57 115.64 2tbd h LYS 37 Ca -0.43 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2tbd h LYS 37 Cb 1.42 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2tbd h LYS 37 CO 0.43 0.52 0.11 0.93 -2.00 0.00 0.00 179.45 179.45 2tbd h GLU 38 N 0.66 0.00 0.00 0.07 4.39 -1.97 -2.02 114.58 115.70 2tbd h GLU 38 Ca 0.18 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.77 2tbd h GLU 38 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2tbd h GLU 38 CO -0.03 0.00 -0.97 1.17 -1.16 0.00 0.00 179.01 178.02 2tbd n LYS 39 N -2.28 0.51 -0.08 2.33 4.81 -0.47 -4.11 118.16 118.87 2tbd n LYS 39 Ca -0.01 0.47 0.23 0.00 -0.87 0.00 0.00 58.31 58.12 2tbd n LYS 39 Cb 0.14 -1.65 0.68 0.00 0.02 0.00 0.00 35.03 34.22 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 -0.86 2.57 -0.75 3.14 0.00 -1.24 0.13 119.26 122.26 2tbd h ALA 40 Ca -0.16 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2tbd h ALA 40 Cb 0.90 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2tbd h ALA 40 CO -0.10 -0.77 0.42 0.00 0.00 0.00 0.00 179.25 178.80 2tbd h ALA 41 N 1.66 1.04 -0.00 0.00 0.00 -1.53 0.30 119.26 120.72 2tbd h ALA 41 Ca 0.33 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 55.02 2tbd h ALA 41 Cb 1.23 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.92 2tbd h ALA 41 CO -0.02 0.07 -0.96 -0.07 0.00 0.00 0.00 179.25 178.27 2tbd h LEU 42 N 0.73 0.84 -1.41 0.00 3.38 -0.93 -2.94 115.31 114.98 2tbd h LEU 42 Ca 0.35 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2tbd h LEU 42 Cb 0.28 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2tbd h LEU 42 CO -0.22 1.48 0.00 -0.07 0.09 0.00 0.00 178.44 179.71 2tbd h LEU 43 N 0.30 0.00 0.03 1.67 -0.00 -0.55 0.28 115.31 117.05 2tbd h LEU 43 Ca -0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2tbd h LEU 43 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.28 2tbd h LEU 43 CO 0.19 0.00 -0.02 0.22 -0.00 0.00 0.00 178.44 178.83 2tbd h TYR 44 N 0.00 -0.04 0.00 1.13 5.03 -0.26 -2.00 116.97 120.83 2tbd h TYR 44 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2tbd h TYR 44 Cb 0.15 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.45 2tbd h TYR 44 CO 0.00 -0.03 0.00 1.63 -1.32 0.00 0.00 178.16 178.44 2tbd n LYS 45 N -4.36 0.18 0.00 1.82 5.02 -1.15 -2.00 118.16 117.67 2tbd n LYS 45 Ca -0.01 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 2tbd n LYS 45 Cb 0.02 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 2tbd n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2tbd n LYS 46 N -2.21 0.00 -0.19 1.97 5.02 0.08 -4.08 118.16 118.75 2tbd n LYS 46 Ca 0.01 0.19 0.30 0.00 -2.02 0.00 0.00 58.31 56.79 2tbd n LYS 46 Cb 0.19 -0.62 0.63 0.00 -0.02 0.00 0.00 35.03 35.21 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2tbd h ILE 47 N 0.00 0.19 0.00 -0.18 1.08 -1.45 -2.75 117.51 114.39 2tbd h ILE 47 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2tbd h ILE 47 Cb 0.00 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2tbd h ILE 47 CO 0.00 0.00 0.00 0.80 -0.69 0.00 0.00 178.15 178.26 2tbd n MET 48 N -3.62 0.00 -0.04 2.37 1.56 -0.85 -1.24 117.12 115.30 2tbd n MET 48 Ca 0.21 0.47 0.06 0.00 -0.27 0.00 0.00 57.70 58.17 2tbd n MET 48 Cb 1.24 -0.99 0.29 0.00 2.15 0.00 0.00 33.22 35.92 2tbd n MET 48 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2tbd n GLU 49 N -0.96 1.22 0.00 2.12 4.07 -1.11 -1.76 120.64 124.21 2tbd n GLU 49 Ca 0.00 -0.33 -0.05 0.00 -0.06 0.00 0.00 57.16 56.72 2tbd n GLU 49 Cb 0.00 -1.21 -0.12 0.00 -0.06 0.00 0.00 31.44 30.06 2tbd n GLU 49 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2tbd n LYS 50 N -0.35 0.63 -0.18 5.31 4.81 -0.51 -4.46 118.16 123.40 2tbd n LYS 50 Ca 0.09 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 2tbd n LYS 50 Cb 0.11 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.37 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 -2.97 0.00 -3.99 5.64 4.02 -0.37 -5.00 117.16 114.49 2tbd n TYR 51 Ca -0.14 -0.06 -0.27 0.00 -0.01 0.00 0.00 57.90 57.42 2tbd n TYR 51 Cb 0.96 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 40.23 2tbd n TYR 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2tbd n SER 52 N -0.08 -0.74 -2.97 7.72 2.88 -0.72 -3.92 113.62 115.79 2tbd n SER 52 Ca 0.01 -1.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.14 2tbd n SER 52 Cb 0.56 -3.02 -0.06 0.00 -0.75 0.00 0.00 64.21 60.94 2tbd n SER 52 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2tbd n VAL 53 N -4.41 0.00 1.21 2.46 0.24 -1.20 -4.44 118.33 112.19 2tbd n VAL 53 Ca -0.26 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.16 2tbd n VAL 53 Cb 0.66 -0.07 0.63 0.00 -1.47 0.00 0.00 33.84 33.58 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 1.35 0.20 0.00 3.34 -1.04 -0.81 -4.63 114.28 112.69 2tbd n THR 54 Ca 0.15 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2tbd n THR 54 Cb 0.03 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 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 -1.22 0.00 -3.81 -1.42 7.35 -1.26 -4.87 117.46 112.23 2tbd n PHE 55 Ca 0.13 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.47 2tbd n PHE 55 Cb 0.17 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.88 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 3.19 0.13 -2.13 2.07 -1.21 -2.13 121.20 121.13 2tbd s ILE 56 Ca 0.00 -2.45 0.06 0.00 -1.41 0.00 0.00 60.65 56.86 2tbd s ILE 56 Cb 0.00 -3.18 -0.04 0.00 0.13 0.00 0.00 42.46 39.37 2tbd s ILE 56 CO 0.00 -0.74 -0.02 -0.55 -1.91 0.00 0.00 174.94 171.73 2tbd s SER 57 N 1.21 4.81 -0.12 4.50 0.15 -0.46 -3.09 113.70 120.70 2tbd s SER 57 Ca 0.12 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.48 2tbd s SER 57 Cb -0.22 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2tbd s SER 57 CO -0.04 0.13 -0.21 -0.60 1.20 0.00 0.00 173.24 173.72 2tbd s ARG 58 N -2.60 3.09 0.31 5.44 3.52 -0.75 -1.12 118.95 126.84 2tbd s ARG 58 Ca 0.26 -0.84 0.04 0.00 -0.13 0.00 0.00 55.73 55.06 2tbd s ARG 58 Cb -0.10 -2.42 -0.06 0.00 -1.56 0.00 0.00 34.95 30.81 2tbd s ARG 58 CO 0.18 0.10 0.02 -1.01 -0.81 0.00 0.00 175.30 173.78 2tbd s HIS 59 N 0.56 1.93 -0.16 5.12 3.76 -1.03 -1.48 115.29 123.99 2tbd s HIS 59 Ca -0.13 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 53.87 2tbd s HIS 59 Cb -0.17 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.29 2tbd s HIS 59 CO 0.04 0.08 -0.07 -0.80 -0.85 0.00 0.00 174.74 173.13 2tbd s ASN 60 N -3.46 4.44 -0.00 1.40 0.02 -0.91 -1.60 114.94 114.82 2tbd s ASN 60 Ca 0.34 -0.24 -0.00 0.00 -1.02 0.00 0.00 52.86 51.93 2tbd s ASN 60 Cb 0.07 -1.72 -0.00 0.00 0.02 0.00 0.00 41.25 39.63 2tbd s ASN 60 CO 0.14 0.14 -0.00 -1.54 0.02 0.00 0.00 177.10 175.85 2tbd n SER 61 N 3.75 0.02 0.00 -1.22 3.41 -0.95 -2.29 113.62 116.34 2tbd n SER 61 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2tbd n SER 61 Cb 0.52 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.52 -0.13 0.63 7.33 4.01 -1.26 -4.84 117.16 120.38 2tbd n TYR 62 Ca -0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.81 2tbd n TYR 62 Cb 0.01 0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.66 1.37 -3.22 7.72 5.03 -1.26 -5.01 115.26 118.23 2tbd n ASN 63 Ca 0.00 -1.19 -0.19 0.00 0.87 0.00 0.00 54.58 54.08 2tbd n ASN 63 Cb 0.00 0.55 -0.07 0.00 -1.02 0.00 0.00 39.78 39.24 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2tbd n HIS 64 N -0.34 -0.98 -4.41 3.10 8.25 -1.26 -4.64 115.22 114.94 2tbd n HIS 64 Ca 0.05 -2.75 -0.26 0.00 -0.26 0.00 0.00 57.72 54.50 2tbd n HIS 64 Cb 0.29 0.37 -0.12 0.00 1.12 0.00 0.00 29.99 31.65 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 -3.34 3.32 0.29 0.41 0.02 -0.89 -2.23 114.94 112.51 2tbd s ASN 65 Ca 0.38 -0.87 0.04 0.00 -1.02 0.00 0.00 52.86 51.39 2tbd s ASN 65 Cb 0.01 -0.24 -0.03 0.00 0.02 0.00 0.00 41.25 41.01 2tbd s ASN 65 CO 0.27 0.09 0.44 -0.63 0.02 0.00 0.00 177.10 177.29 2tbd s ILE 66 N -1.75 5.07 -0.35 0.60 1.09 -0.63 -2.45 121.20 122.79 2tbd s ILE 66 Ca 0.20 -0.81 0.01 0.00 -1.10 0.00 0.00 60.65 58.95 2tbd s ILE 66 Cb -0.08 -3.81 0.11 0.00 -1.06 0.00 0.00 42.46 37.62 2tbd s ILE 66 CO 0.09 -0.39 0.13 -0.22 -0.10 0.00 0.00 174.94 174.45 2tbd s LEU 67 N -4.12 2.72 -0.96 2.97 2.96 0.54 -2.47 118.68 120.32 2tbd s LEU 67 Ca 0.37 -1.97 -0.24 0.00 -0.22 0.00 0.00 54.13 52.07 2tbd s LEU 67 Cb -0.09 -1.02 0.04 0.00 0.50 0.00 0.00 46.19 45.62 2tbd s LEU 67 CO 0.32 -0.37 1.42 0.12 -1.32 0.00 0.00 176.35 176.52 2tbd s PHE 68 N 1.18 2.47 -0.24 5.38 5.36 -0.28 -2.05 117.98 129.81 2tbd s PHE 68 Ca 0.12 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.42 2tbd s PHE 68 Cb -0.19 -4.68 0.03 0.00 -0.34 0.00 0.00 43.02 37.84 2tbd s PHE 68 CO -0.16 -1.97 -0.11 -0.59 -1.46 0.00 0.00 175.22 170.94 2tbd s PHE 69 N 5.19 3.06 0.63 10.12 -0.71 -0.94 -1.36 117.98 133.98 2tbd s PHE 69 Ca 0.44 -1.81 -0.03 0.00 -1.04 0.00 0.00 56.93 54.49 2tbd s PHE 69 Cb -0.02 -1.99 0.05 0.00 -1.21 0.00 0.00 43.02 39.86 2tbd s PHE 69 CO -0.05 -0.80 0.90 -1.17 -1.34 0.00 0.00 175.22 172.77 2tbd s LEU 70 N 1.25 3.03 0.03 -1.99 2.96 -0.90 -2.39 118.68 120.67 2tbd s LEU 70 Ca -0.01 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2tbd s LEU 70 Cb -0.17 -2.96 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 2tbd s LEU 70 CO -0.07 -1.40 0.02 0.42 -1.32 0.00 0.00 176.35 174.00 2tbd s THR 71 N -3.02 0.14 0.00 3.68 -4.23 -0.39 -1.92 115.64 109.90 2tbd s THR 71 Ca 0.59 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 2tbd s THR 71 Cb -0.10 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.00 2tbd s THR 71 CO 0.42 -0.63 0.00 -0.81 -0.54 0.00 0.00 174.62 173.05 2tbd n PRO 72 N 1.01 0.00 -1.54 3.99 -0.04 -1.25 -4.56 135.00 132.61 2tbd n PRO 72 Ca -0.20 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.07 2tbd n PRO 72 Cb 0.57 -0.03 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 2tbd n PRO 72 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2tbd n HIS 73 N 0.00 0.86 -1.07 0.54 1.44 -1.26 -4.80 115.22 110.94 2tbd n HIS 73 Ca 0.00 0.02 -0.35 0.00 -2.01 0.00 0.00 57.72 55.38 2tbd n HIS 73 Cb 0.00 -2.07 -0.01 0.00 0.12 0.00 0.00 29.99 28.03 2tbd n HIS 73 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2tbd n ARG 74 N 7.96 0.00 -3.97 -1.40 1.85 -1.26 -4.98 116.66 114.86 2tbd n ARG 74 Ca 0.52 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 57.28 2tbd n ARG 74 Cb 0.35 -0.80 -0.11 0.00 -1.05 0.00 0.00 32.46 30.85 2tbd n ARG 74 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2tbd s HIS 75 N -1.14 0.25 0.03 2.89 -3.43 -1.25 -4.98 115.29 107.66 2tbd s HIS 75 Ca 0.49 -0.52 -0.34 0.00 -0.80 0.00 0.00 55.06 53.88 2tbd s HIS 75 Cb -0.60 -0.19 -0.13 0.00 -1.43 0.00 0.00 32.58 30.24 2tbd s HIS 75 CO 0.48 -0.23 1.74 -2.13 -2.00 0.00 0.00 174.74 172.60 2tbd n ARG 76 N 1.39 2.17 0.16 -0.38 0.63 -1.26 -3.69 116.66 115.68 2tbd n ARG 76 Ca -0.23 0.79 0.11 0.00 -0.92 0.00 0.00 57.85 57.61 2tbd n ARG 76 Cb 0.56 -2.60 0.59 0.00 0.45 0.00 0.00 32.46 31.45 2tbd n ARG 76 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2tbd n VAL 77 N 4.34 1.04 0.08 5.15 0.31 -1.25 0.04 118.33 128.04 2tbd n VAL 77 Ca 0.20 0.73 -0.16 0.00 -0.01 0.00 0.00 64.34 65.11 2tbd n VAL 77 Cb 0.29 -1.73 -0.08 0.00 -0.91 0.00 0.00 33.84 31.41 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 0.58 0.41 4.52 0.87 -1.77 -1.51 113.55 116.65 2tbd h SER 78 Ca 0.00 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 2tbd h SER 78 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2tbd h SER 78 CO 0.00 1.33 -0.20 0.00 -0.53 0.00 0.00 176.83 177.42 2tbd h ALA 79 N 0.62 -0.56 -0.04 6.23 0.00 -0.69 -2.17 119.26 122.66 2tbd h ALA 79 Ca -0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2tbd h ALA 79 Cb 1.72 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2tbd h ALA 79 CO 0.19 -0.82 -0.30 0.82 0.00 0.00 0.00 179.25 179.14 2tbd h ILE 80 N -0.56 1.23 -0.32 0.00 2.04 -1.59 -1.14 117.51 117.18 2tbd h ILE 80 Ca -0.05 -1.10 0.09 0.00 1.00 0.00 0.00 64.86 64.80 2tbd h ILE 80 Cb 0.43 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2tbd h ILE 80 CO 0.08 0.32 0.48 -1.13 0.00 0.00 0.00 178.15 177.90 2tbd h ASN 81 N 0.06 0.00 -0.18 1.72 -1.24 -0.61 0.56 115.58 115.89 2tbd h ASN 81 Ca 0.01 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.91 2tbd h ASN 81 Cb 0.57 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.62 2tbd h ASN 81 CO 0.04 0.00 -0.33 -1.13 -1.29 0.00 0.00 177.43 174.72 2tbd h ASN 82 N 0.00 0.59 0.06 1.15 -1.24 -1.01 0.26 115.58 115.39 2tbd h ASN 82 Ca 0.15 -0.54 -0.00 0.00 0.71 0.00 0.00 56.30 56.61 2tbd h ASN 82 Cb 1.10 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.98 2tbd h ASN 82 CO -0.00 1.02 -0.03 0.22 -1.29 0.00 0.00 177.43 177.36 2tbd h TYR 83 N 0.18 -0.07 0.00 0.67 3.20 -0.02 -1.78 116.97 119.15 2tbd h TYR 83 Ca 0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2tbd h TYR 83 Cb 0.92 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 2tbd h TYR 83 CO 0.09 0.20 -0.01 0.00 -1.64 0.00 0.00 178.16 176.80 2tbd h ALA 84 N 0.59 1.00 -0.02 1.82 0.00 -1.34 -3.02 119.26 118.29 2tbd h ALA 84 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2tbd h ALA 84 Cb 0.30 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2tbd h ALA 84 CO 0.01 0.01 -0.56 1.96 0.00 0.00 0.00 179.25 180.67 2tbd h GLN 85 N 0.00 0.41 -0.14 0.00 1.08 -0.11 -2.93 115.11 113.42 2tbd h GLN 85 Ca -0.00 -0.42 0.04 0.00 -1.45 0.00 0.00 58.65 56.82 2tbd h GLN 85 Cb 0.48 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2tbd h GLN 85 CO 0.00 1.08 0.42 0.87 -0.95 0.00 0.00 178.83 180.25 2tbd h LYS 86 N -0.09 0.00 -2.35 1.46 1.57 -1.20 -1.91 116.57 114.05 2tbd h LYS 86 Ca -0.06 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.09 2tbd h LYS 86 Cb 1.26 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.43 2tbd h LYS 86 CO 0.11 0.00 1.53 1.28 -0.57 0.00 0.00 179.45 181.80 2tbd n LEU 87 N -3.12 7.34 -0.87 2.94 4.77 -1.11 -4.35 117.00 122.60 2tbd n LEU 87 Ca 0.01 -4.50 0.05 0.00 -0.03 0.00 0.00 56.01 51.55 2tbd n LEU 87 Cb 0.51 -1.31 0.14 0.00 -2.33 0.00 0.00 43.42 40.43 2tbd n LEU 87 CO 0.17 1.92 0.27 0.00 -1.33 0.00 0.00 177.39 178.42 2tbd n THR 89 N -0.58 0.41 0.00 0.00 -2.24 -1.26 -4.48 114.28 106.13 2tbd n THR 89 Ca 0.14 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 2tbd n THR 89 Cb 0.84 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 -3.00 0.00 -3.78 4.78 -1.74 -1.26 -4.76 117.46 107.69 2tbd n PHE 90 Ca -0.03 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.90 2tbd n PHE 90 Cb 0.12 -0.32 0.00 0.00 1.52 0.00 0.00 39.48 40.80 2tbd n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2tbd s SER 91 N -2.60 -0.00 0.61 5.98 0.15 -1.26 -5.08 113.70 111.50 2tbd s SER 91 Ca 0.00 -0.02 -0.15 0.00 0.70 0.00 0.00 55.95 56.47 2tbd s SER 91 Cb 0.00 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 2tbd s SER 91 CO 0.00 -0.04 1.07 0.72 1.20 0.00 0.00 173.24 176.19 2tbd s PHE 92 N -2.03 2.92 -0.02 3.44 -0.12 -1.26 -4.43 117.98 116.49 2tbd s PHE 92 Ca 0.23 1.51 0.03 0.00 -0.05 0.00 0.00 56.93 58.65 2tbd s PHE 92 Cb 0.04 -3.03 -0.00 0.00 -0.63 0.00 0.00 43.02 39.40 2tbd s PHE 92 CO -0.05 -1.24 -0.09 -1.17 -0.05 0.00 0.00 175.22 172.63 2tbd s LEU 93 N -4.64 1.89 -0.44 -1.99 2.96 -1.26 -4.07 118.68 111.12 2tbd s LEU 93 Ca 0.64 -0.17 0.09 0.00 -0.22 0.00 0.00 54.13 54.47 2tbd s LEU 93 Cb -0.17 -0.50 0.38 0.00 0.50 0.00 0.00 46.19 46.41 2tbd s LEU 93 CO 0.39 0.08 0.92 -0.38 -1.32 0.00 0.00 176.35 176.04 2tbd n ILE 94 N 3.10 1.61 -2.86 6.68 2.08 0.26 -4.99 119.36 125.23 2tbd n ILE 94 Ca -0.16 -4.71 -0.41 0.00 0.56 0.00 0.00 62.75 58.03 2tbd n ILE 94 Cb 0.56 -0.67 -0.04 0.00 -0.75 0.00 0.00 39.64 38.74 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2tbd n LYS 96 N 3.52 0.66 -2.99 0.00 2.85 -1.04 -4.98 118.16 116.17 2tbd n LYS 96 Ca 0.02 -2.09 -0.19 0.00 -1.05 0.00 0.00 58.31 55.00 2tbd n LYS 96 Cb 0.51 2.16 0.01 0.00 -0.65 0.00 0.00 35.03 37.06 2tbd n LYS 96 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2tbd s GLY 97 N -2.70 1.84 -0.00 2.58 0.00 -1.26 -1.84 107.32 105.93 2tbd s GLY 97 Ca 0.20 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.43 2tbd s GLY 97 CO 0.15 -1.33 -0.09 0.14 0.00 0.00 0.00 173.10 171.97 2tbd s VAL 98 N -2.43 0.73 -2.25 1.40 1.01 -0.96 -3.57 120.40 114.33 2tbd s VAL 98 Ca 0.54 -0.46 0.19 0.00 0.00 0.00 0.00 61.98 62.24 2tbd s VAL 98 Cb -0.10 -0.62 0.19 0.00 0.00 0.00 0.00 36.38 35.85 2tbd s VAL 98 CO 0.34 0.15 1.14 0.59 0.00 0.00 0.00 175.10 177.32 2tbd n ASN 99 N 2.71 2.69 -3.14 3.32 4.13 -1.25 -4.63 115.26 119.09 2tbd n ASN 99 Ca -0.14 -1.81 -0.21 0.00 1.68 0.00 0.00 54.58 54.10 2tbd n ASN 99 Cb 0.57 -0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 38.71 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 1.07 0.79 0.00 3.52 5.02 -1.26 -4.95 118.16 122.35 2tbd n LYS 100 Ca 0.12 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.31 2tbd n LYS 100 Cb 0.48 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2tbd n LYS 100 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2tbd n GLU 101 N 1.11 0.00 0.00 1.97 4.07 -1.26 -1.45 120.64 125.08 2tbd n GLU 101 Ca 0.21 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.84 2tbd n GLU 101 Cb 0.58 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 2tbd n TYR 102 N -1.67 0.00 0.00 4.31 4.19 -1.26 -1.54 117.16 121.19 2tbd n TYR 102 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2tbd n TYR 102 Cb 0.00 -0.36 0.00 0.00 0.49 0.00 0.00 39.34 39.47 2tbd n TYR 102 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 2tbd n LEU 103 N -2.51 0.00 -0.40 2.98 -0.00 -1.20 -0.10 117.00 115.76 2tbd n LEU 103 Ca 0.00 0.74 0.34 0.00 -0.00 0.00 0.00 56.01 57.09 2tbd n LEU 103 Cb 0.00 -0.24 0.57 0.00 -0.00 0.00 0.00 43.42 43.75 2tbd n LEU 103 CO 0.00 -0.24 1.03 0.80 -0.00 0.00 0.00 177.39 178.98 2tbd n MET 104 N -1.96 -0.03 0.01 1.96 1.56 -0.53 0.99 117.12 119.12 2tbd n MET 104 Ca 0.00 1.05 -0.13 0.00 -0.27 0.00 0.00 57.70 58.35 2tbd n MET 104 Cb 0.00 -2.08 -0.09 0.00 2.15 0.00 0.00 33.22 33.20 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 -0.03 -0.10 1.12 3.20 0.56 -1.14 116.97 120.58 2tbd h TYR 105 Ca 0.74 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.65 2tbd h TYR 105 Cb 2.40 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 40.63 2tbd h TYR 105 CO -0.00 0.40 -0.22 0.66 -1.64 0.00 0.00 178.16 177.35 2tbd h SER 106 N -0.47 -0.69 0.11 -2.11 4.64 0.15 0.30 113.55 115.49 2tbd h SER 106 Ca -0.00 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2tbd h SER 106 Cb 0.44 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2tbd h SER 106 CO 0.01 -0.28 -0.02 0.00 -0.87 0.00 0.00 176.83 175.66 2tbd h ALA 107 N 0.64 1.32 0.00 5.18 0.00 -1.43 -0.13 119.26 124.84 2tbd h ALA 107 Ca 0.09 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2tbd h ALA 107 Cb 0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2tbd h ALA 107 CO -0.27 0.03 -0.61 -0.07 0.00 0.00 0.00 179.25 178.33 2tbd h LEU 108 N 0.00 0.00 0.00 0.00 3.38 0.83 -3.15 115.31 116.37 2tbd h LEU 108 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2tbd h LEU 108 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2tbd h LEU 108 CO 0.00 0.61 -0.62 0.71 0.09 0.00 0.00 178.44 179.24 2tbd h THR 109 N 0.00 0.37 -2.87 0.22 1.35 0.88 -3.35 112.91 109.50 2tbd h THR 109 Ca -0.01 -1.57 -0.63 0.00 -0.55 0.00 0.00 66.41 63.65 2tbd h THR 109 Cb 1.34 2.04 -0.06 0.00 -1.73 0.00 0.00 68.15 69.75 2tbd h THR 109 CO 0.08 0.21 -0.38 0.00 -0.25 0.00 0.00 175.52 175.18 2tbd s ARG 110 N -3.11 3.60 0.87 4.72 1.70 -0.86 -4.71 118.95 121.17 2tbd s ARG 110 Ca 0.03 -0.02 -0.16 0.00 -0.47 0.00 0.00 55.73 55.11 2tbd s ARG 110 Cb 0.07 -3.12 -0.09 0.00 -0.57 0.00 0.00 34.95 31.24 2tbd s ARG 110 CO 0.74 0.68 -0.25 -0.25 -1.08 0.00 0.00 175.30 175.14 2tbd n ASP 111 N 1.37 -4.14 -0.03 -2.89 8.00 -1.26 -2.05 116.55 115.56 2tbd n ASP 111 Ca -0.13 0.34 0.02 0.00 0.71 0.00 0.00 54.79 55.74 2tbd n ASP 111 Cb 0.53 -0.94 0.13 0.00 -0.02 0.00 0.00 41.12 40.83 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 0.98 1.03 -3.07 -0.24 -0.04 -1.26 -5.00 135.00 127.40 2tbd n PRO 112 Ca 0.03 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 2tbd n PRO 112 Cb 0.53 -1.08 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.98 3.14 0.56 0.54 0.08 -0.87 -4.82 117.98 114.63 2tbd s PHE 113 Ca 0.07 0.39 -0.02 0.00 0.12 0.00 0.00 56.93 57.49 2tbd s PHE 113 Cb 0.03 -3.22 0.02 0.00 -0.57 0.00 0.00 43.02 39.29 2tbd s PHE 113 CO 0.06 -0.66 0.82 -1.12 -0.10 0.00 0.00 175.22 174.21 2tbd s SER 114 N 1.81 5.41 -0.16 1.36 0.01 -0.97 -3.71 113.70 117.45 2tbd s SER 114 Ca 0.26 0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.82 2tbd s SER 114 Cb -0.14 -1.27 -0.01 0.00 0.21 0.00 0.00 66.02 64.81 2tbd s SER 114 CO 0.15 -1.09 -0.11 -0.69 0.41 0.00 0.00 173.24 171.92 2tbd s VAL 115 N -2.84 3.08 -0.01 3.43 1.01 -1.26 -2.13 120.40 121.67 2tbd s VAL 115 Ca 0.55 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 2tbd s VAL 115 Cb -0.10 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 2tbd s VAL 115 CO 0.41 0.49 -0.02 -0.38 0.00 0.00 0.00 175.10 175.61 2tbd n ILE 116 N 4.04 0.11 -4.30 2.22 -0.00 -0.55 -4.91 119.36 115.97 2tbd n ILE 116 Ca -0.18 0.48 -0.19 0.00 -0.00 0.00 0.00 62.75 62.85 2tbd n ILE 116 Cb 0.52 -1.57 -0.07 0.00 -0.00 0.00 0.00 39.64 38.51 2tbd n ILE 116 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2tbd n GLU 117 N -2.46 0.42 0.00 0.38 0.28 -0.98 -5.01 120.64 113.27 2tbd n GLU 117 Ca -0.01 -3.18 0.00 0.00 -0.16 0.00 0.00 57.16 53.81 2tbd n GLU 117 Cb 0.02 2.46 0.00 0.00 1.43 0.00 0.00 31.44 35.35 2tbd n GLU 117 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2tbd n GLU 118 N -0.65 0.00 0.09 3.44 0.00 -1.26 -1.80 120.64 120.46 2tbd n GLU 118 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.07 2tbd n GLU 118 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.91 2tbd n GLU 118 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2tbd h SER 119 N 0.00 0.45 -3.69 -1.84 0.87 -1.93 -3.45 113.55 103.96 2tbd h SER 119 Ca 0.00 -0.43 -0.50 0.00 -1.23 0.00 0.00 61.79 59.63 2tbd h SER 119 Cb 0.00 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 2tbd h SER 119 CO 0.00 1.29 0.20 -0.76 -0.53 0.00 0.00 176.83 177.03 2tbd s LEU 120 N -7.35 4.35 0.26 2.23 1.43 -1.26 -4.96 118.68 113.37 2tbd s LEU 120 Ca -0.04 1.58 0.14 0.00 -1.03 0.00 0.00 54.13 54.77 2tbd s LEU 120 Cb 0.08 -3.74 0.14 0.00 0.03 0.00 0.00 46.19 42.69 2tbd s LEU 120 CO 0.87 -0.00 1.47 1.55 0.23 0.00 0.00 176.35 180.47 2tbd h PRO 121 N 3.34 0.00 -1.36 1.29 0.13 -2.03 -3.38 132.00 129.99 2tbd h PRO 121 Ca -0.47 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 2tbd h PRO 121 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 2tbd h PRO 121 CO 0.65 0.60 -0.93 0.41 -0.23 0.00 0.00 178.00 178.51 2tbd n GLY 122 N 1.01 2.16 7.00 1.56 0.00 -1.26 -5.11 105.19 110.55 2tbd n GLY 122 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2tbd n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tbd n GLY 123 N 1.13 2.37 3.36 -0.02 0.00 -1.26 -4.70 105.19 106.07 2tbd n GLY 123 Ca 0.18 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 1.79 0.00 0.99 1.02 -1.26 -4.84 118.68 116.38 2tbd s LEU 124 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 54.13 52.75 2tbd s LEU 124 Cb 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 46.19 46.13 2tbd s LEU 124 CO 0.00 -0.71 0.00 1.17 0.02 0.00 0.00 176.35 176.83 2tbd n LYS 125 N -0.54 0.00 -1.30 1.70 0.00 -1.26 -4.96 118.16 111.79 2tbd n LYS 125 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.05 2tbd n LYS 125 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.68 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 2.24 0.00 1.64 0.28 -1.26 -4.65 120.64 118.89 2tbd n GLU 126 Ca 0.00 -2.23 0.00 0.00 -0.16 0.00 0.00 57.16 54.77 2tbd n GLU 126 Cb 0.00 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 30.89 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 0.47 0.00 -3.35 -1.84 8.25 -1.26 -4.88 115.22 112.61 2tbd n HIS 127 Ca 0.44 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.64 2tbd n HIS 127 Cb 0.55 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.51 2.27 0.00 0.41 8.00 -1.26 -5.05 116.55 120.41 2tbd n ASP 128 Ca 0.00 -3.12 0.00 0.00 0.71 0.00 0.00 54.79 52.38 2tbd n ASP 128 Cb 0.00 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2tbd n PHE 129 N 1.15 0.00 -3.56 1.24 3.72 -1.26 -4.97 117.46 113.78 2tbd n PHE 129 Ca 0.26 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.26 2tbd n PHE 129 Cb 0.45 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.89 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 1.67 5.87 1.05 4.37 2.47 -1.26 -5.08 114.94 124.03 2tbd s ASN 130 Ca 0.00 -0.68 -0.17 0.00 0.42 0.00 0.00 52.86 52.43 2tbd s ASN 130 Cb 0.00 -2.08 0.24 0.00 -1.45 0.00 0.00 41.25 37.96 2tbd s ASN 130 CO 0.00 -0.31 1.28 -0.81 -3.72 0.00 0.00 177.10 173.54 2tbd n PRO 131 N 5.06 -1.66 -2.45 0.43 -0.04 -1.26 -4.81 135.00 130.27 2tbd n PRO 131 Ca -0.12 -1.98 -0.03 0.00 -0.04 0.00 0.00 63.50 61.33 2tbd n PRO 131 Cb 0.48 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2tbd n PRO 131 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2tbd n GLU 132 N -4.01 -4.91 -1.48 0.54 -0.58 -1.26 -4.86 120.64 104.09 2tbd n GLU 132 Ca 0.16 3.62 0.10 0.00 -0.42 0.00 0.00 57.16 60.62 2tbd n GLU 132 Cb 0.58 -4.86 -0.06 0.00 -0.57 0.00 0.00 31.44 26.53 2tbd n GLU 132 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2tbd n SER 133 N 1.76 -7.74 0.00 1.62 2.88 -1.26 -5.26 113.62 105.62 2tbd n SER 133 Ca -0.20 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 2tbd n SER 133 Cb 0.31 -4.93 0.00 0.00 -0.75 0.00 0.00 64.21 58.84 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57