#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd s SER 2 N 0.00 0.06 0.38 1.61 1.04 -1.26 -5.09 113.70 110.44 2tbd s SER 2 Ca 0.00 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2tbd s SER 2 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2tbd s SER 2 CO 0.00 -0.39 0.00 0.29 0.98 0.00 0.00 173.24 174.12 2tbd n LYS 3 N 1.33 -4.23 -1.46 4.02 4.76 -1.26 -4.74 118.16 116.58 2tbd n LYS 3 Ca -0.22 3.09 -0.49 0.00 -2.87 0.00 0.00 58.31 57.82 2tbd n LYS 3 Cb 0.56 -3.44 -0.04 0.00 -1.84 0.00 0.00 35.03 30.27 2tbd n LYS 3 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2tbd n VAL 4 N -0.19 1.62 -1.73 -0.18 0.31 -1.26 -4.88 118.33 112.01 2tbd n VAL 4 Ca 0.00 -0.41 -0.32 0.00 -0.01 0.00 0.00 64.34 63.61 2tbd n VAL 4 Cb 0.00 -0.24 0.04 0.00 -0.91 0.00 0.00 33.84 32.73 2tbd n VAL 4 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2tbd s GLU 5 N -0.89 2.96 -0.26 5.55 -1.05 -1.26 -4.98 118.70 118.77 2tbd s GLU 5 Ca 0.68 1.14 -0.25 0.00 -0.15 0.00 0.00 54.97 56.39 2tbd s GLU 5 Cb -0.93 -1.99 -0.00 0.00 -0.44 0.00 0.00 34.13 30.77 2tbd s GLU 5 CO 0.56 -1.09 0.84 0.34 0.95 0.00 0.00 175.26 176.87 2tbd s ASP 6 N -3.17 6.80 -0.08 0.83 -1.08 -1.26 -4.98 116.67 113.72 2tbd s ASP 6 Ca 0.62 0.95 -0.30 0.00 -0.52 0.00 0.00 52.55 53.30 2tbd s ASP 6 Cb -0.16 -2.44 -0.02 0.00 -1.46 0.00 0.00 42.92 38.84 2tbd s ASP 6 CO 0.46 -0.57 1.13 -2.16 0.52 0.00 0.00 175.17 174.55 2tbd s PRO 7 N 2.94 4.37 0.00 4.34 0.04 -1.26 -4.92 135.00 140.52 2tbd s PRO 7 Ca 0.35 1.57 0.25 0.00 0.04 0.00 0.00 61.00 63.21 2tbd s PRO 7 Cb -0.15 -3.56 0.78 0.00 0.04 0.00 0.00 34.50 31.61 2tbd s PRO 7 CO 0.09 -0.42 1.59 1.17 0.04 0.00 0.00 177.00 179.47 2tbd n LYS 8 N 5.23 1.86 -2.80 4.56 3.00 -1.26 -4.98 118.16 123.77 2tbd n LYS 8 Ca 0.10 -1.26 0.01 0.00 -0.00 0.00 0.00 58.31 57.16 2tbd n LYS 8 Cb 0.47 -1.46 0.01 0.00 0.00 0.00 0.00 35.03 34.05 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2tbd n ASP 9 N 0.51 -0.65 -4.53 3.14 8.00 -1.26 -5.07 116.55 116.68 2tbd n ASP 9 Ca 0.17 -1.21 -0.29 0.00 0.71 0.00 0.00 54.79 54.17 2tbd n ASP 9 Cb 0.41 1.03 0.23 0.00 -0.02 0.00 0.00 41.12 42.77 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2tbd s PHE 10 N -3.03 1.46 0.45 1.24 0.40 -1.26 -4.97 117.98 112.27 2tbd s PHE 10 Ca 0.13 1.25 -0.21 0.00 -0.60 0.00 0.00 56.93 57.51 2tbd s PHE 10 Cb -0.01 -3.14 -0.10 0.00 0.51 0.00 0.00 43.02 40.29 2tbd s PHE 10 CO 0.01 -3.63 1.00 -1.25 0.70 0.00 0.00 175.22 172.05 2tbd s PRO 11 N -4.54 4.03 0.59 0.24 0.04 -1.26 -4.94 135.00 129.17 2tbd s PRO 11 Ca 0.68 1.29 0.36 0.00 0.04 0.00 0.00 61.00 63.37 2tbd s PRO 11 Cb -0.24 -2.21 1.80 0.00 0.04 0.00 0.00 34.50 33.89 2tbd s PRO 11 CO 0.63 -0.22 2.16 0.66 0.04 0.00 0.00 177.00 180.26 2tbd h SER 12 N 1.86 0.00 0.20 6.66 4.64 -1.99 -1.60 113.55 123.32 2tbd h SER 12 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2tbd h SER 12 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2tbd h SER 12 CO 0.60 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.97 2tbd n GLU 13 N -3.23 0.29 0.00 4.77 1.02 -1.26 -2.47 120.64 119.77 2tbd n GLU 13 Ca -0.01 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2tbd n GLU 13 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2tbd n GLU 13 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2tbd n LEU 14 N -1.20 0.66 -0.07 -4.62 4.77 -0.62 -4.72 117.00 111.20 2tbd n LEU 14 Ca 0.08 -0.66 0.06 0.00 -0.03 0.00 0.00 56.01 55.46 2tbd n LEU 14 Cb 0.10 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.50 2tbd n LEU 14 CO 0.11 0.17 0.71 0.18 -1.33 0.00 0.00 177.39 177.22 2tbd n LEU 15 N -0.14 0.20 0.13 2.23 4.77 -1.03 -3.29 117.00 119.87 2tbd n LEU 15 Ca 0.00 -0.09 0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2tbd n LEU 15 Cb 0.33 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2tbd n LEU 15 CO 0.00 0.05 0.39 0.77 -1.33 0.00 0.00 177.39 177.26 2tbd h SER 16 N 0.25 0.00 -1.61 -1.43 4.64 -1.85 -3.36 113.55 110.19 2tbd h SER 16 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 2tbd h SER 16 Cb 0.06 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.74 2tbd h SER 16 CO 0.00 0.44 -1.05 2.22 -0.87 0.00 0.00 176.83 177.56 2tbd n PHE 17 N -3.14 1.56 -4.57 4.77 1.16 -1.21 -5.07 117.46 110.96 2tbd n PHE 17 Ca 0.01 -3.37 -0.22 0.00 -1.87 0.00 0.00 57.45 52.00 2tbd n PHE 17 Cb 0.72 -0.37 -0.15 0.00 -1.61 0.00 0.00 39.48 38.08 2tbd n PHE 17 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2tbd s LEU 18 N -2.99 2.06 -0.29 5.98 2.96 -1.26 -3.84 118.68 121.30 2tbd s LEU 18 Ca 0.38 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.84 2tbd s LEU 18 Cb 0.39 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 2tbd s LEU 18 CO -0.06 0.14 0.42 -0.55 -1.32 0.00 0.00 176.35 174.98 2tbd s SER 19 N -0.49 6.29 -1.00 3.68 0.15 -1.21 -4.89 113.70 116.22 2tbd s SER 19 Ca 0.05 0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.76 2tbd s SER 19 Cb -0.06 -2.23 0.18 0.00 -1.71 0.00 0.00 66.02 62.21 2tbd s SER 19 CO -0.00 -0.27 1.12 -1.00 1.20 0.00 0.00 173.24 174.28 2tbd s HIS 20 N 2.17 3.55 -0.30 3.44 0.09 -1.26 -4.35 115.29 118.62 2tbd s HIS 20 Ca 0.16 -1.92 -0.15 0.00 -0.00 0.00 0.00 55.06 53.15 2tbd s HIS 20 Cb -0.16 -4.11 0.15 0.00 -0.00 0.00 0.00 32.58 28.46 2tbd s HIS 20 CO 0.11 -1.26 0.93 0.00 -0.00 0.00 0.00 174.74 174.51 2tbd s ALA 21 N 1.20 -2.51 -0.24 -1.40 0.00 -1.26 -5.03 121.76 112.52 2tbd s ALA 21 Ca 0.31 2.13 0.19 0.00 0.00 0.00 0.00 51.96 54.60 2tbd s ALA 21 Cb -0.06 -1.93 -0.28 0.00 0.00 0.00 0.00 23.12 20.85 2tbd s ALA 21 CO -0.07 -0.81 0.52 0.28 0.00 0.00 0.00 175.76 175.68 2tbd n VAL 22 N 4.76 0.00 -2.85 0.00 0.31 -1.26 -4.56 118.33 114.73 2tbd n VAL 22 Ca -0.12 -0.35 -0.20 0.00 -0.01 0.00 0.00 64.34 63.66 2tbd n VAL 22 Cb 0.53 0.28 -0.01 0.00 -0.91 0.00 0.00 33.84 33.74 2tbd n VAL 22 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2tbd n PHE 23 N -2.00 2.04 -2.77 3.52 3.01 -1.26 -3.70 117.46 116.30 2tbd n PHE 23 Ca -0.02 -3.47 -0.22 0.00 1.01 0.00 0.00 57.45 54.75 2tbd n PHE 23 Cb 0.46 -0.36 0.10 0.00 -0.01 0.00 0.00 39.48 39.67 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2tbd n SER 24 N -0.09 1.65 -1.28 4.37 3.41 -1.26 -5.01 113.62 115.41 2tbd n SER 24 Ca 0.25 -2.30 0.04 0.00 -0.26 0.00 0.00 58.87 56.61 2tbd n SER 24 Cb 0.63 -0.57 0.29 0.00 -0.26 0.00 0.00 64.21 64.30 2tbd n SER 24 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2tbd n ASN 25 N -2.69 4.20 -4.59 4.04 3.02 -1.26 -4.96 115.26 113.02 2tbd n ASN 25 Ca 0.17 -3.13 -0.33 0.00 -0.03 0.00 0.00 54.58 51.26 2tbd n ASN 25 Cb 0.60 -0.62 -0.11 0.00 -0.61 0.00 0.00 39.78 39.05 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2tbd s ARG 26 N -2.90 2.63 -0.24 3.52 3.52 -1.26 -5.10 118.95 119.12 2tbd s ARG 26 Ca 0.47 -0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 55.37 2tbd s ARG 26 Cb 0.38 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 31.22 2tbd s ARG 26 CO 0.10 0.63 0.00 0.95 -0.81 0.00 0.00 175.30 176.17 2tbd s THR 27 N -0.92 3.70 0.38 4.11 -4.23 -1.26 -4.27 115.64 113.15 2tbd s THR 27 Ca 0.15 -0.41 0.08 0.00 -1.18 0.00 0.00 61.69 60.32 2tbd s THR 27 Cb -0.11 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 2tbd s THR 27 CO 0.05 0.37 0.31 -0.76 -0.54 0.00 0.00 174.62 174.05 2tbd s LEU 28 N 1.52 3.42 -0.05 4.79 1.43 0.17 -4.65 118.68 125.32 2tbd s LEU 28 Ca 0.06 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 2tbd s LEU 28 Cb -0.15 -2.03 0.11 0.00 0.03 0.00 0.00 46.19 44.16 2tbd s LEU 28 CO -0.01 -0.51 1.00 0.00 0.23 0.00 0.00 176.35 177.07 2tbd n ALA 29 N -1.42 1.99 -3.66 4.21 0.00 -1.26 -1.76 120.51 118.60 2tbd n ALA 29 Ca 0.01 -1.58 -0.18 0.00 0.00 0.00 0.00 53.44 51.69 2tbd n ALA 29 Cb 0.61 -0.21 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 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 0.93 0.32 -0.09 0.00 0.40 -1.08 -1.45 117.98 117.01 2tbd s PHE 31 Ca -0.11 -0.75 0.02 0.00 -0.60 0.00 0.00 56.93 55.48 2tbd s PHE 31 Cb -0.14 -0.22 0.02 0.00 0.51 0.00 0.00 43.02 43.18 2tbd s PHE 31 CO -0.01 -0.41 -0.12 0.00 0.70 0.00 0.00 175.22 175.38 2tbd s ALA 32 N -3.42 1.43 -0.22 5.36 0.00 -0.63 -2.41 121.76 121.88 2tbd s ALA 32 Ca 0.02 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 2tbd s ALA 32 Cb 0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2tbd s ALA 32 CO -0.08 -0.05 0.39 0.42 0.00 0.00 0.00 175.76 176.44 2tbd s ILE 33 N 0.97 5.19 -0.43 0.00 1.01 -0.86 -2.06 121.20 125.02 2tbd s ILE 33 Ca -0.08 0.67 -0.07 0.00 0.00 0.00 0.00 60.65 61.17 2tbd s ILE 33 Cb -0.15 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 38.70 2tbd s ILE 33 CO -0.00 0.23 0.26 -0.47 0.00 0.00 0.00 174.94 174.96 2tbd s TYR 34 N 1.48 3.45 0.30 3.97 5.04 -0.48 -0.65 117.35 130.46 2tbd s TYR 34 Ca 0.18 -1.97 -0.16 0.00 -2.44 0.00 0.00 57.07 52.68 2tbd s TYR 34 Cb -0.15 -3.20 0.02 0.00 0.35 0.00 0.00 41.96 38.98 2tbd s TYR 34 CO 0.08 -0.94 0.64 0.95 -1.34 0.00 0.00 175.55 174.94 2tbd s THR 35 N 1.30 0.00 0.78 4.34 -4.23 -1.01 -1.30 115.64 115.52 2tbd s THR 35 Ca 0.05 -1.17 -0.16 0.00 -1.18 0.00 0.00 61.69 59.23 2tbd s THR 35 Cb -0.24 -2.30 -0.08 0.00 1.34 0.00 0.00 72.50 71.22 2tbd s THR 35 CO -0.01 0.00 0.03 0.35 -0.54 0.00 0.00 174.62 174.45 2tbd n THR 36 N -0.46 0.71 -0.14 3.99 -2.24 -1.26 -2.00 114.28 112.88 2tbd n THR 36 Ca -0.04 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.25 2tbd n THR 36 Cb 0.60 -0.38 0.01 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.61 0.56 -1.10 -0.78 2.10 -1.89 -1.82 116.57 113.03 2tbd h LYS 37 Ca -0.44 -0.03 0.30 0.00 -2.00 0.00 0.00 60.65 58.48 2tbd h LYS 37 Cb 1.35 -0.13 -0.08 0.00 -0.90 0.00 0.00 32.23 32.47 2tbd h LYS 37 CO 0.36 0.37 0.73 1.49 -2.00 0.00 0.00 179.45 180.41 2tbd h GLU 38 N 0.58 0.25 0.19 0.07 4.81 -2.00 -1.50 114.58 116.97 2tbd h GLU 38 Ca 0.16 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2tbd h GLU 38 Cb -0.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2tbd h GLU 38 CO -0.04 0.16 -0.09 0.87 -0.73 0.00 0.00 179.01 179.18 2tbd h LYS 39 N 0.26 -0.24 -1.38 1.92 1.57 -1.65 -3.21 116.57 113.83 2tbd h LYS 39 Ca 0.60 0.02 0.42 0.00 -1.87 0.00 0.00 60.65 59.82 2tbd h LYS 39 Cb 1.79 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 34.06 2tbd h LYS 39 CO -0.22 -0.02 0.93 0.00 -0.57 0.00 0.00 179.45 179.57 2tbd h ALA 40 N -0.85 2.95 -0.05 3.86 0.00 -1.04 0.55 119.26 124.68 2tbd h ALA 40 Ca -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2tbd h ALA 40 Cb 0.33 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2tbd h ALA 40 CO 0.04 -1.48 0.03 0.00 0.00 0.00 0.00 179.25 177.84 2tbd h ALA 41 N 1.46 0.06 0.42 0.00 0.00 -1.31 -0.90 119.26 118.99 2tbd h ALA 41 Ca 0.76 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.62 2tbd h ALA 41 Cb 2.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.36 2tbd h ALA 41 CO -0.25 -0.41 -0.20 -0.07 0.00 0.00 0.00 179.25 178.31 2tbd h LEU 42 N 0.02 -0.48 -1.77 0.00 3.38 0.04 -2.97 115.31 113.53 2tbd h LEU 42 Ca 0.02 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.38 2tbd h LEU 42 Cb 0.05 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2tbd h LEU 42 CO -0.00 -0.19 1.06 -0.07 0.09 0.00 0.00 178.44 179.33 2tbd h LEU 43 N -0.87 0.00 0.63 1.67 3.38 -1.32 0.28 115.31 119.09 2tbd h LEU 43 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2tbd h LEU 43 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2tbd h LEU 43 CO 0.09 0.00 -0.30 0.22 0.09 0.00 0.00 178.44 178.54 2tbd h TYR 44 N 0.00 -0.79 0.00 1.13 5.03 -1.00 -1.42 116.97 119.92 2tbd h TYR 44 Ca 0.61 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.90 2tbd h TYR 44 Cb 2.73 0.26 0.00 0.00 1.55 0.00 0.00 36.73 41.27 2tbd h TYR 44 CO 0.00 -0.45 0.00 1.17 -1.32 0.00 0.00 178.16 177.56 2tbd n LYS 45 N -5.39 0.11 -0.04 1.82 4.81 0.76 -1.99 118.16 118.25 2tbd n LYS 45 Ca -0.12 0.13 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2tbd n LYS 45 Cb 0.36 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.91 2tbd n LYS 45 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2tbd h LYS 46 N 0.00 0.00 0.00 1.64 1.79 -0.64 -3.38 116.57 115.99 2tbd h LYS 46 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2tbd h LYS 46 Cb 0.30 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2tbd h LYS 46 CO 0.00 0.00 -0.12 0.82 -1.08 0.00 0.00 179.45 179.07 2tbd h ILE 47 N -0.59 0.49 -1.71 1.86 2.04 -1.37 -2.96 117.51 115.27 2tbd h ILE 47 Ca 0.00 -0.59 0.50 0.00 1.00 0.00 0.00 64.86 65.77 2tbd h ILE 47 Cb 0.22 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 2tbd h ILE 47 CO 0.00 0.12 1.23 -0.03 0.00 0.00 0.00 178.15 179.47 2tbd h MET 48 N 0.00 0.00 0.00 2.37 4.05 -1.57 0.76 114.93 120.55 2tbd h MET 48 Ca -0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2tbd h MET 48 Cb 0.39 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 2tbd h MET 48 CO 0.02 0.00 -0.02 -0.85 0.23 0.00 0.00 176.91 176.29 2tbd n GLU 49 N -4.03 6.55 0.19 0.39 0.28 -1.13 -3.83 120.64 119.07 2tbd n GLU 49 Ca 0.38 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.49 2tbd n GLU 49 Cb 1.75 -0.48 0.13 0.00 1.43 0.00 0.00 31.44 34.27 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2tbd h LYS 50 N 0.00 0.00 0.00 3.44 1.63 -0.77 -3.35 116.57 117.52 2tbd h LYS 50 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2tbd h LYS 50 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2tbd h LYS 50 CO 0.00 0.04 0.00 0.66 -3.45 0.00 0.00 179.45 176.70 2tbd n TYR 51 N -3.05 0.00 -4.13 1.91 4.02 -0.67 -4.99 117.16 110.25 2tbd n TYR 51 Ca 0.03 -0.08 -0.31 0.00 -0.01 0.00 0.00 57.90 57.53 2tbd n TYR 51 Cb 0.55 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2tbd n SER 52 N -0.08 -1.69 -3.93 7.72 7.64 -1.25 -3.91 113.62 118.13 2tbd n SER 52 Ca 0.00 -1.04 -0.49 0.00 1.01 0.00 0.00 58.87 58.36 2tbd n SER 52 Cb 0.40 -2.76 -0.06 0.00 -1.01 0.00 0.00 64.21 60.79 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 -4.41 0.59 1.64 0.44 0.24 -1.26 -4.53 118.33 111.04 2tbd n VAL 53 Ca -0.12 -0.15 0.15 0.00 -2.04 0.00 0.00 64.34 62.19 2tbd n VAL 53 Cb 0.59 0.00 0.83 0.00 -1.47 0.00 0.00 33.84 33.79 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 0.88 0.01 0.00 3.34 -1.04 -1.23 -4.64 114.28 111.60 2tbd n THR 54 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2tbd n THR 54 Cb 0.12 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 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 -1.17 0.00 -3.77 -1.42 7.35 -1.26 -4.90 117.46 112.28 2tbd n PHE 55 Ca 0.18 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.50 2tbd n PHE 55 Cb 0.19 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.90 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 3.41 0.37 -2.13 2.07 -1.26 -2.06 121.20 121.60 2tbd s ILE 56 Ca 0.00 -1.79 0.08 0.00 -1.41 0.00 0.00 60.65 57.53 2tbd s ILE 56 Cb 0.00 -3.21 -0.03 0.00 0.13 0.00 0.00 42.46 39.35 2tbd s ILE 56 CO 0.00 -0.53 0.26 -0.94 -1.91 0.00 0.00 174.94 171.82 2tbd s SER 57 N 1.76 4.91 -0.18 4.50 1.04 0.13 -2.97 113.70 122.90 2tbd s SER 57 Ca 0.04 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 2tbd s SER 57 Cb -0.22 -0.70 0.06 0.00 0.10 0.00 0.00 66.02 65.25 2tbd s SER 57 CO -0.02 -0.46 0.05 -0.60 0.98 0.00 0.00 173.24 173.18 2tbd s ARG 58 N -3.98 0.46 0.46 4.02 3.52 -0.09 0.21 118.95 123.54 2tbd s ARG 58 Ca 0.42 -0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.77 2tbd s ARG 58 Cb -0.03 -1.92 0.02 0.00 -1.56 0.00 0.00 34.95 31.46 2tbd s ARG 58 CO 0.25 -0.62 0.12 0.72 -0.81 0.00 0.00 175.30 174.97 2tbd n HIS 59 N 5.13 0.42 -4.11 5.12 8.25 -1.07 -0.99 115.22 127.97 2tbd n HIS 59 Ca -0.08 -2.13 -0.33 0.00 -0.26 0.00 0.00 57.72 54.92 2tbd n HIS 59 Cb 0.48 -0.33 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 2tbd n HIS 59 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2tbd s ASN 60 N -3.56 3.15 0.00 0.41 -0.87 -0.91 -1.26 114.94 111.90 2tbd s ASN 60 Ca 0.09 -0.67 0.00 0.00 -1.57 0.00 0.00 52.86 50.72 2tbd s ASN 60 Cb -0.01 -1.47 0.00 0.00 -0.02 0.00 0.00 41.25 39.75 2tbd s ASN 60 CO 0.06 -0.01 0.00 -0.24 -2.57 0.00 0.00 177.10 174.34 2tbd n SER 61 N 4.62 0.00 0.06 -1.22 2.88 -0.35 -1.75 113.62 117.86 2tbd n SER 61 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 2tbd n SER 61 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2tbd n TYR 62 N 0.00 -0.60 0.01 0.66 4.02 -1.26 -4.58 117.16 115.40 2tbd n TYR 62 Ca 0.00 0.11 0.10 0.00 -0.01 0.00 0.00 57.90 58.10 2tbd n TYR 62 Cb 0.00 0.18 -0.16 0.00 -0.02 0.00 0.00 39.34 39.34 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2tbd n ASN 63 N -3.22 0.35 0.00 7.72 5.03 -1.26 -5.03 115.26 118.85 2tbd n ASN 63 Ca 0.00 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.43 2tbd n ASN 63 Cb 0.00 1.92 0.00 0.00 -1.02 0.00 0.00 39.78 40.68 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 -2.19 0.00 -4.51 3.10 8.25 -1.26 -4.87 115.22 113.73 2tbd n HIS 64 Ca -0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.18 2tbd n HIS 64 Cb 0.53 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.53 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 1.06 3.21 -0.28 0.41 0.01 -0.85 -1.21 114.94 117.29 2tbd s ASN 65 Ca 0.00 -1.27 0.03 0.00 -0.71 0.00 0.00 52.86 50.92 2tbd s ASN 65 Cb 0.00 -0.26 0.07 0.00 0.41 0.00 0.00 41.25 41.47 2tbd s ASN 65 CO 0.00 -0.38 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.52 2tbd s ILE 66 N -2.88 2.19 -0.97 0.60 1.09 -0.39 -2.41 121.20 118.42 2tbd s ILE 66 Ca 0.33 -1.82 -0.24 0.00 -1.10 0.00 0.00 60.65 57.82 2tbd s ILE 66 Cb 0.06 -2.38 0.04 0.00 -1.06 0.00 0.00 42.46 39.12 2tbd s ILE 66 CO 0.15 -0.18 1.44 -0.22 -0.10 0.00 0.00 174.94 176.03 2tbd s LEU 67 N 1.05 3.44 0.37 2.97 2.96 0.18 -2.59 118.68 127.05 2tbd s LEU 67 Ca -0.04 -1.27 -0.25 0.00 -0.22 0.00 0.00 54.13 52.36 2tbd s LEU 67 Cb -0.20 -2.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.83 2tbd s LEU 67 CO -0.06 -1.60 1.00 0.12 -1.32 0.00 0.00 176.35 174.49 2tbd s PHE 68 N 5.28 3.45 -0.28 5.38 5.36 0.13 -2.03 117.98 135.27 2tbd s PHE 68 Ca 0.45 1.70 -0.17 0.00 -0.96 0.00 0.00 56.93 57.95 2tbd s PHE 68 Cb -0.01 -3.03 0.11 0.00 -0.34 0.00 0.00 43.02 39.75 2tbd s PHE 68 CO -0.06 -0.25 0.84 -0.59 -1.46 0.00 0.00 175.22 173.70 2tbd s PHE 69 N -1.67 -0.81 0.40 10.12 -0.71 -1.01 0.18 117.98 124.48 2tbd s PHE 69 Ca 0.55 1.64 -0.00 0.00 -1.04 0.00 0.00 56.93 58.07 2tbd s PHE 69 Cb -0.20 0.48 0.08 0.00 -1.21 0.00 0.00 43.02 42.17 2tbd s PHE 69 CO 0.25 -0.40 0.55 1.28 -1.34 0.00 0.00 175.22 175.57 2tbd n LEU 70 N 3.91 0.00 -3.56 -1.99 4.77 -0.88 -2.62 117.00 116.63 2tbd n LEU 70 Ca -0.19 -1.16 -0.15 0.00 -0.03 0.00 0.00 56.01 54.48 2tbd n LEU 70 Cb 0.58 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2tbd n LEU 70 CO 0.00 -0.77 0.33 0.42 -1.33 0.00 0.00 177.39 176.04 2tbd s THR 71 N -1.61 0.02 0.00 -5.08 -4.23 0.63 -3.54 115.64 101.83 2tbd s THR 71 Ca 0.37 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2tbd s THR 71 Cb -0.02 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.87 2tbd s THR 71 CO 0.24 -0.08 0.05 -0.81 -0.54 0.00 0.00 174.62 173.48 2tbd n PRO 72 N 0.67 0.00 -0.37 3.99 -0.04 -1.25 -4.78 135.00 133.21 2tbd n PRO 72 Ca -0.19 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.00 2tbd n PRO 72 Cb 0.59 -0.38 0.25 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.29 -2.88 -3.96 0.54 1.44 -1.26 -4.96 115.22 103.85 2tbd n HIS 73 Ca 0.00 -0.44 -0.31 0.00 -2.01 0.00 0.00 57.72 54.95 2tbd n HIS 73 Cb 0.00 -1.42 -0.05 0.00 0.12 0.00 0.00 29.99 28.64 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 -4.44 3.27 0.07 -1.40 1.81 -1.26 -4.71 118.95 112.29 2tbd s ARG 74 Ca 0.59 -0.49 -0.05 0.00 -1.72 0.00 0.00 55.73 54.05 2tbd s ARG 74 Cb -0.13 -2.96 -0.02 0.00 -0.45 0.00 0.00 34.95 31.40 2tbd s ARG 74 CO 0.53 0.61 0.09 -1.01 -0.68 0.00 0.00 175.30 174.84 2tbd s HIS 75 N -1.44 0.30 0.11 -0.53 3.76 -0.73 -4.96 115.29 111.81 2tbd s HIS 75 Ca 0.32 -0.76 -0.25 0.00 -0.15 0.00 0.00 55.06 54.23 2tbd s HIS 75 Cb -0.13 -0.20 -0.07 0.00 1.11 0.00 0.00 32.58 33.30 2tbd s HIS 75 CO 0.25 -0.45 0.75 0.50 -0.85 0.00 0.00 174.74 174.93 2tbd s ARG 76 N -3.69 4.50 0.52 1.40 3.52 -1.26 -0.65 118.95 123.29 2tbd s ARG 76 Ca 0.04 1.08 0.27 0.00 -0.13 0.00 0.00 55.73 56.99 2tbd s ARG 76 Cb 0.05 -3.30 1.45 0.00 -1.56 0.00 0.00 34.95 31.59 2tbd s ARG 76 CO -0.10 0.46 1.79 0.28 -0.81 0.00 0.00 175.30 176.92 2tbd h VAL 77 N 3.67 0.00 -0.16 7.11 2.07 -1.89 0.20 116.25 127.25 2tbd h VAL 77 Ca -0.46 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.88 2tbd h VAL 77 Cb 1.21 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2tbd h VAL 77 CO 0.68 0.00 -0.61 0.77 0.02 0.00 0.00 177.57 178.43 2tbd h SER 78 N 0.00 0.82 0.46 0.57 4.64 -1.88 0.27 113.55 118.43 2tbd h SER 78 Ca 0.00 -0.61 -0.02 0.00 -0.47 0.00 0.00 61.79 60.69 2tbd h SER 78 Cb 0.43 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2tbd h SER 78 CO 0.00 1.29 -0.22 0.00 -0.87 0.00 0.00 176.83 177.03 2tbd h ALA 79 N 0.55 -0.76 -0.96 5.18 0.00 -0.95 -1.17 119.26 121.15 2tbd h ALA 79 Ca -0.03 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 54.93 2tbd h ALA 79 Cb 1.24 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 19.18 2tbd h ALA 79 CO 0.13 -0.72 0.61 0.82 0.00 0.00 0.00 179.25 180.09 2tbd h ILE 80 N -0.91 0.71 -0.83 0.00 1.08 -1.58 0.38 117.51 116.36 2tbd h ILE 80 Ca -0.06 -0.21 0.02 0.00 -0.39 0.00 0.00 64.86 64.22 2tbd h ILE 80 Cb 0.47 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 34.22 2tbd h ILE 80 CO 0.10 0.11 0.54 -1.13 -0.69 0.00 0.00 178.15 177.08 2tbd h ASN 81 N 0.62 0.91 -0.10 1.72 -1.24 -0.83 -0.27 115.58 116.39 2tbd h ASN 81 Ca 0.52 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.47 2tbd h ASN 81 Cb 0.99 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 2tbd h ASN 81 CO -0.27 0.65 -0.05 -1.13 -1.29 0.00 0.00 177.43 175.34 2tbd h ASN 82 N 1.08 0.32 0.31 1.15 -1.24 0.10 -0.35 115.58 116.95 2tbd h ASN 82 Ca 0.32 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 2tbd h ASN 82 Cb -0.06 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2tbd h ASN 82 CO -0.09 0.42 -0.30 0.22 -1.29 0.00 0.00 177.43 176.39 2tbd h TYR 83 N 0.34 -0.84 0.00 0.67 5.03 -0.19 0.13 116.97 122.12 2tbd h TYR 83 Ca 0.07 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 2tbd h TYR 83 Cb 0.31 0.32 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 2tbd h TYR 83 CO 0.01 -0.40 -0.09 0.00 -1.32 0.00 0.00 178.16 176.36 2tbd h ALA 84 N -1.26 1.33 0.00 1.82 0.00 -1.38 -1.12 119.26 118.65 2tbd h ALA 84 Ca -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2tbd h ALA 84 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2tbd h ALA 84 CO -0.03 0.11 -0.20 0.37 0.00 0.00 0.00 179.25 179.49 2tbd h GLN 85 N 0.00 0.00 0.00 0.00 5.75 -0.13 -2.55 115.11 118.18 2tbd h GLN 85 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2tbd h GLN 85 Cb 0.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.80 2tbd h GLN 85 CO 0.01 0.20 0.00 0.87 -2.65 0.00 0.00 178.83 177.26 2tbd h LYS 86 N 0.00 0.00 -1.82 1.69 1.57 0.57 -3.23 116.57 115.35 2tbd h LYS 86 Ca -0.00 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 2tbd h LYS 86 Cb 0.77 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.77 2tbd h LYS 86 CO 0.03 0.00 0.56 1.28 -0.57 0.00 0.00 179.45 180.74 2tbd n LEU 87 N -2.57 6.76 -0.73 2.94 4.32 -0.96 -4.54 117.00 122.22 2tbd n LEU 87 Ca 0.04 -4.92 0.06 0.00 -0.02 0.00 0.00 56.01 51.17 2tbd n LEU 87 Cb 0.40 -0.89 0.15 0.00 -1.62 0.00 0.00 43.42 41.45 2tbd n LEU 87 CO 0.29 1.88 0.31 0.00 -1.22 0.00 0.00 177.39 178.65 2tbd n THR 89 N -0.73 3.16 0.00 0.00 -2.24 -1.26 -4.27 114.28 108.93 2tbd n THR 89 Ca 0.15 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.74 2tbd n THR 89 Cb 0.79 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.57 -0.38 -3.77 4.78 -1.74 -1.26 -5.15 117.46 109.36 2tbd n PHE 90 Ca 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.39 2tbd n PHE 90 Cb 0.88 0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.99 2tbd n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2tbd n SER 91 N -1.71 0.00 -4.46 5.98 2.88 -1.26 -5.16 113.62 109.89 2tbd n SER 91 Ca 0.00 -0.88 -0.29 0.00 -1.33 0.00 0.00 58.87 56.37 2tbd n SER 91 Cb 0.00 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2tbd s PHE 92 N -2.58 1.96 -0.28 0.66 -0.12 -1.26 -4.78 117.98 111.58 2tbd s PHE 92 Ca 0.00 0.65 -0.20 0.00 -0.05 0.00 0.00 56.93 57.33 2tbd s PHE 92 Cb 0.00 -3.59 0.08 0.00 -0.63 0.00 0.00 43.02 38.88 2tbd s PHE 92 CO 0.00 -2.66 0.71 -1.17 -0.05 0.00 0.00 175.22 172.04 2tbd s LEU 93 N -6.13 -0.86 -0.41 -1.99 0.20 -1.26 -4.59 118.68 103.65 2tbd s LEU 93 Ca 0.67 1.49 0.06 0.00 0.69 0.00 0.00 54.13 57.04 2tbd s LEU 93 Cb -0.11 2.42 0.21 0.00 -0.43 0.00 0.00 46.19 48.28 2tbd s LEU 93 CO 0.53 -0.24 0.44 -0.38 -0.29 0.00 0.00 176.35 176.41 2tbd n ILE 94 N 3.59 -0.86 -3.17 6.68 5.41 -0.42 -5.02 119.36 125.58 2tbd n ILE 94 Ca -0.17 -3.76 -0.39 0.00 1.00 0.00 0.00 62.75 59.42 2tbd n ILE 94 Cb 0.57 -1.82 -0.06 0.00 -0.71 0.00 0.00 39.64 37.63 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 -0.42 0.98 0.62 0.00 -0.14 -0.87 -4.93 119.74 114.98 2tbd s LYS 96 Ca 0.32 -1.45 -0.04 0.00 -1.36 0.00 0.00 55.97 53.44 2tbd s LYS 96 Cb -0.19 0.25 0.04 0.00 -1.68 0.00 0.00 37.83 36.25 2tbd s LYS 96 CO 0.19 -0.29 0.90 0.20 -0.76 0.00 0.00 175.35 175.59 2tbd s GLY 97 N -3.06 1.69 0.02 -3.33 0.00 -1.26 -1.60 107.32 99.78 2tbd s GLY 97 Ca 0.26 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 44.03 2tbd s GLY 97 CO 0.03 -0.66 -0.10 0.14 0.00 0.00 0.00 173.10 172.51 2tbd s VAL 98 N -3.01 0.81 -0.16 1.40 1.01 -0.53 -3.33 120.40 116.60 2tbd s VAL 98 Ca 0.57 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2tbd s VAL 98 Cb -0.11 -0.73 -0.23 0.00 0.00 0.00 0.00 36.38 35.31 2tbd s VAL 98 CO 0.43 0.02 0.21 0.59 0.00 0.00 0.00 175.10 176.35 2tbd n ASN 99 N 2.27 1.18 -3.77 3.32 3.02 -1.25 -4.55 115.26 115.48 2tbd n ASN 99 Ca -0.17 0.12 -0.30 0.00 -0.03 0.00 0.00 54.58 54.21 2tbd n ASN 99 Cb 0.56 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.55 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2tbd s LYS 100 N -2.54 0.83 0.04 3.52 1.02 -1.26 -5.01 119.74 116.34 2tbd s LYS 100 Ca -0.17 -1.03 -0.30 0.00 0.02 0.00 0.00 55.97 54.49 2tbd s LYS 100 Cb 0.07 -2.13 -0.17 0.00 -0.52 0.00 0.00 37.83 35.08 2tbd s LYS 100 CO 0.76 -0.90 1.40 1.49 -0.92 0.00 0.00 175.35 177.18 2tbd h GLU 101 N 8.07 -0.80 -0.97 1.68 4.22 -1.92 -2.76 114.58 122.10 2tbd h GLU 101 Ca -0.14 0.05 0.14 0.00 0.08 0.00 0.00 59.36 59.50 2tbd h GLU 101 Cb 1.03 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 2tbd h GLU 101 CO 0.45 -0.49 -0.41 -0.92 -2.18 0.00 0.00 179.01 175.46 2tbd h TYR 102 N -0.98 -1.17 0.22 0.92 3.20 -1.98 0.14 116.97 117.31 2tbd h TYR 102 Ca -0.08 0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2tbd h TYR 102 Cb 0.68 0.65 -0.04 0.00 1.54 0.00 0.00 36.73 39.56 2tbd h TYR 102 CO -0.01 -0.40 -0.47 1.25 -1.64 0.00 0.00 178.16 176.89 2tbd h LEU 103 N -0.01 -1.37 0.02 2.82 7.12 -1.97 -1.20 115.31 120.71 2tbd h LEU 103 Ca 0.32 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.47 2tbd h LEU 103 Cb 0.58 0.50 -0.02 0.00 -0.53 0.00 0.00 40.66 41.19 2tbd h LEU 103 CO -0.96 -0.55 -0.16 -0.03 -0.13 0.00 0.00 178.44 176.61 2tbd h MET 104 N -0.77 -0.20 -1.54 1.25 4.05 -0.74 0.22 114.93 117.19 2tbd h MET 104 Ca -0.01 0.01 0.45 0.00 -0.28 0.00 0.00 59.70 59.87 2tbd h MET 104 Cb 0.75 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.54 2tbd h MET 104 CO -0.21 -0.13 1.25 -0.92 0.23 0.00 0.00 176.91 177.13 2tbd h TYR 105 N -0.21 0.00 0.02 1.39 3.20 -1.03 0.93 116.97 121.27 2tbd h TYR 105 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2tbd h TYR 105 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2tbd h TYR 105 CO -0.38 0.00 -0.01 0.66 -1.64 0.00 0.00 178.16 176.79 2tbd h SER 106 N 0.00 -0.03 0.39 -2.11 4.64 0.66 -1.48 113.55 115.63 2tbd h SER 106 Ca 0.73 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2tbd h SER 106 Cb 3.23 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 65.33 2tbd h SER 106 CO -0.01 0.54 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 2tbd n ALA 107 N -2.41 1.71 -0.03 5.18 0.00 0.30 -1.62 120.51 123.64 2tbd n ALA 107 Ca -0.09 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 2tbd n ALA 107 Cb 0.29 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 2tbd n ALA 107 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2tbd n LEU 108 N -1.41 2.42 0.20 0.00 4.77 0.08 -4.17 117.00 118.88 2tbd n LEU 108 Ca 0.05 0.27 0.10 0.00 -0.03 0.00 0.00 56.01 56.39 2tbd n LEU 108 Cb 0.14 -1.07 0.13 0.00 -2.33 0.00 0.00 43.42 40.29 2tbd n LEU 108 CO 0.12 0.69 0.69 0.71 -1.33 0.00 0.00 177.39 178.28 2tbd h THR 109 N -0.25 0.21 -3.31 -5.08 1.35 -1.08 -3.32 112.91 101.45 2tbd h THR 109 Ca -0.41 -1.31 -0.59 0.00 -0.55 0.00 0.00 66.41 63.56 2tbd h THR 109 Cb 1.82 2.09 -0.08 0.00 -1.73 0.00 0.00 68.15 70.25 2tbd h THR 109 CO -0.00 0.12 0.40 -0.13 -0.25 0.00 0.00 175.52 175.66 2tbd s ARG 110 N -3.15 4.23 0.88 4.72 1.81 -0.64 -4.81 118.95 121.99 2tbd s ARG 110 Ca 0.06 0.93 -0.17 0.00 -1.72 0.00 0.00 55.73 54.84 2tbd s ARG 110 Cb 0.06 -3.61 -0.13 0.00 -0.45 0.00 0.00 34.95 30.82 2tbd s ARG 110 CO 0.69 -0.41 -0.48 -0.25 -0.68 0.00 0.00 175.30 174.18 2tbd n ASP 111 N 5.59 -4.91 -0.15 0.23 8.00 -1.26 -2.16 116.55 121.89 2tbd n ASP 111 Ca 0.04 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2tbd n ASP 111 Cb 0.48 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 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 0.98 -2.61 -0.24 -0.04 -1.26 -5.04 135.00 128.50 2tbd n PRO 112 Ca 0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 2tbd n PRO 112 Cb 0.54 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.69 2.94 0.30 0.54 0.40 -0.92 -4.88 117.98 114.66 2tbd s PHE 113 Ca 0.00 0.92 -0.02 0.00 -0.60 0.00 0.00 56.93 57.23 2tbd s PHE 113 Cb 0.00 -4.11 0.06 0.00 0.51 0.00 0.00 43.02 39.48 2tbd s PHE 113 CO 0.00 -1.09 0.40 0.43 0.70 0.00 0.00 175.22 175.66 2tbd n SER 114 N 7.46 0.33 -4.29 1.36 7.64 -0.72 -4.02 113.62 121.38 2tbd n SER 114 Ca 0.12 -1.33 -0.16 0.00 1.01 0.00 0.00 58.87 58.52 2tbd n SER 114 Cb 0.48 -0.28 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.35 1.15 0.07 0.44 1.01 -1.26 -2.13 120.40 118.33 2tbd s VAL 115 Ca 0.25 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.17 2tbd s VAL 115 Cb -0.01 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2tbd s VAL 115 CO 0.17 -0.55 0.00 -0.38 0.00 0.00 0.00 175.10 174.34 2tbd n ILE 116 N -0.31 0.40 -3.65 2.22 5.41 -0.16 -4.74 119.36 118.53 2tbd n ILE 116 Ca -0.08 0.13 -0.13 0.00 1.00 0.00 0.00 62.75 63.68 2tbd n ILE 116 Cb 0.62 -0.96 -0.08 0.00 -0.71 0.00 0.00 39.64 38.52 2tbd n ILE 116 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2tbd s GLU 117 N -1.45 0.74 0.09 0.38 2.12 -1.05 -5.01 118.70 114.53 2tbd s GLU 117 Ca 0.00 0.95 0.05 0.00 0.36 0.00 0.00 54.97 56.33 2tbd s GLU 117 Cb 0.00 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 2tbd s GLU 117 CO 0.00 -0.10 -0.12 -1.21 -0.54 0.00 0.00 175.26 173.29 2tbd s GLU 118 N 0.58 0.87 0.00 4.30 8.01 -1.26 -0.92 118.70 130.28 2tbd s GLU 118 Ca -0.02 -1.11 0.18 0.00 0.01 0.00 0.00 54.97 54.04 2tbd s GLU 118 Cb -0.05 -0.69 0.81 0.00 -4.31 0.00 0.00 34.13 29.89 2tbd s GLU 118 CO -0.03 0.13 1.57 -1.13 0.01 0.00 0.00 175.26 175.81 2tbd n SER 119 N 0.79 0.00 -4.39 -0.19 3.41 -1.16 -4.69 113.62 107.39 2tbd n SER 119 Ca -0.18 0.37 -0.30 0.00 -0.26 0.00 0.00 58.87 58.51 2tbd n SER 119 Cb 0.56 -0.44 -0.14 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.89 2.34 -1.34 1.04 1.43 -1.26 -5.01 118.68 112.99 2tbd s LEU 120 Ca 0.11 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 2tbd s LEU 120 Cb 0.12 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 45.01 2tbd s LEU 120 CO 0.32 0.23 2.16 -0.81 0.23 0.00 0.00 176.35 178.48 2tbd n PRO 121 N 1.46 2.63 0.00 1.29 -0.04 -1.26 -3.76 135.00 135.32 2tbd n PRO 121 Ca -0.17 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 2tbd n PRO 121 Cb 0.52 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 4.23 4.28 0.00 0.55 0.00 -1.26 -5.07 105.19 107.91 2tbd n GLY 122 Ca 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.48 1.42 -0.02 0.00 -1.25 -5.10 105.19 100.73 2tbd n GLY 123 Ca 0.00 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 -4.85 117.00 116.20 2tbd n LEU 124 Ca 0.00 -1.04 0.00 0.00 -0.02 0.00 0.00 56.01 54.95 2tbd n LEU 124 Cb 0.00 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 2tbd n LEU 124 CO 0.00 -0.42 0.00 1.17 -1.22 0.00 0.00 177.39 176.92 2tbd n LYS 125 N -1.07 0.00 0.22 3.23 3.00 -1.26 -4.96 118.16 117.31 2tbd n LYS 125 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.43 2tbd n LYS 125 Cb 0.23 0.00 0.33 0.00 0.00 0.00 0.00 35.03 35.59 2tbd n LYS 125 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2tbd h GLU 126 N 0.00 0.00 -1.00 1.64 4.11 -1.99 -2.93 114.58 114.41 2tbd h GLU 126 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 2tbd h GLU 126 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 2tbd h GLU 126 CO 0.00 0.14 0.32 -2.39 0.07 0.00 0.00 179.01 177.16 2tbd n HIS 127 N -3.19 1.53 0.01 2.06 1.44 -1.26 -4.46 115.22 111.36 2tbd n HIS 127 Ca 0.02 -1.16 0.00 0.00 -2.01 0.00 0.00 57.72 54.57 2tbd n HIS 127 Cb 0.49 -0.60 0.00 0.00 0.12 0.00 0.00 29.99 30.01 2tbd n HIS 127 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2tbd n ASP 128 N -0.31 -0.10 -2.46 4.39 9.92 -1.15 -5.10 116.55 121.73 2tbd n ASP 128 Ca 0.30 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 2tbd n ASP 128 Cb 1.08 0.28 0.00 0.00 -0.64 0.00 0.00 41.12 41.84 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2tbd n PHE 129 N -2.56 0.00 -3.26 1.24 3.72 -1.12 -5.00 117.46 110.48 2tbd n PHE 129 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2tbd n PHE 129 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 2tbd n PHE 129 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2tbd s ASN 130 N -1.01 -0.22 -1.29 4.37 4.22 -1.26 -4.91 114.94 114.84 2tbd s ASN 130 Ca 0.00 -0.25 -0.17 0.00 -2.14 0.00 0.00 52.86 50.30 2tbd s ASN 130 Cb 0.00 1.38 0.01 0.00 1.28 0.00 0.00 41.25 43.92 2tbd s ASN 130 CO 0.00 -0.33 2.00 -0.81 -2.04 0.00 0.00 177.10 175.92 2tbd n PRO 131 N 5.34 2.67 -2.69 3.55 -0.04 -1.26 -4.41 135.00 138.16 2tbd n PRO 131 Ca 0.02 -2.71 -0.06 0.00 -0.04 0.00 0.00 63.50 60.71 2tbd n PRO 131 Cb 0.51 -3.35 0.08 0.00 -0.04 0.00 0.00 33.50 30.70 2tbd n PRO 131 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2tbd n GLU 132 N 7.18 0.81 -2.05 0.54 0.28 -1.26 -5.15 120.64 120.99 2tbd n GLU 132 Ca 0.50 -1.46 -0.29 0.00 -0.16 0.00 0.00 57.16 55.76 2tbd n GLU 132 Cb 0.42 -0.22 0.17 0.00 1.43 0.00 0.00 31.44 33.23 2tbd n GLU 132 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2tbd s SER 133 N -0.86 3.44 0.00 -1.84 0.15 -1.26 -5.33 113.70 107.99 2tbd s SER 133 Ca 0.17 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2tbd s SER 133 Cb 0.29 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2tbd s SER 133 CO -0.07 -2.52 0.00 -0.24 1.20 0.00 0.00 173.24 171.61