#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g1d s ASP 2 N 0.00 2.81 -0.39 7.83 1.11 0.39 -4.76 116.67 123.66 2g1d s ASP 2 Ca 0.00 -0.78 -0.17 0.00 0.18 0.00 0.00 52.55 51.78 2g1d s ASP 2 Cb 0.00 -0.53 0.01 0.00 1.07 0.00 0.00 42.92 43.46 2g1d s ASP 2 CO 0.00 -0.31 0.43 -0.22 1.18 0.00 0.00 175.17 176.25 2g1d s LEU 3 N 1.91 4.63 -0.34 1.23 1.98 -1.23 0.14 118.68 127.00 2g1d s LEU 3 Ca -0.00 -0.42 -0.11 0.00 -2.89 0.00 0.00 54.13 50.71 2g1d s LEU 3 Cb -0.17 -2.41 0.00 0.00 0.66 0.00 0.00 46.19 44.27 2g1d s LEU 3 CO -0.08 -0.49 0.18 0.27 -1.89 0.00 0.00 176.35 174.34 2g1d s ILE 4 N 2.16 4.67 -0.04 6.68 -0.00 0.15 -4.90 121.20 129.92 2g1d s ILE 4 Ca 0.13 -0.56 0.01 0.00 -0.00 0.00 0.00 60.65 60.23 2g1d s ILE 4 Cb -0.17 -3.47 -0.03 0.00 -0.00 0.00 0.00 42.46 38.79 2g1d s ILE 4 CO 0.13 -0.06 -0.03 -0.51 -0.00 0.00 0.00 174.94 174.47 2g1d s ILE 5 N 1.60 3.95 -0.65 8.37 1.10 -1.26 -1.75 121.20 132.57 2g1d s ILE 5 Ca 0.04 -0.52 0.05 0.00 -0.51 0.00 0.00 60.65 59.70 2g1d s ILE 5 Cb -0.18 -2.69 0.17 0.00 0.15 0.00 0.00 42.46 39.92 2g1d s ILE 5 CO 0.07 0.50 0.48 1.17 -2.11 0.00 0.00 174.94 175.04 2g1d n LYS 6 N 1.83 1.55 -2.64 3.50 4.81 0.64 -4.99 118.16 122.87 2g1d n LYS 6 Ca -0.17 -4.24 -0.41 0.00 -0.87 0.00 0.00 58.31 52.62 2g1d n LYS 6 Cb 0.53 -2.16 -0.04 0.00 0.02 0.00 0.00 35.03 33.37 2g1d n LYS 6 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2g1d s GLU 7 N -1.23 4.68 -0.16 1.64 8.01 -1.26 -0.43 118.70 129.95 2g1d s GLU 7 Ca 0.27 1.57 -0.02 0.00 0.01 0.00 0.00 54.97 56.80 2g1d s GLU 7 Cb -0.02 -3.32 0.05 0.00 -4.31 0.00 0.00 34.13 26.53 2g1d s GLU 7 CO -0.17 0.20 0.01 0.15 0.01 0.00 0.00 175.26 175.47 2g1d s LYS 8 N -0.34 0.76 -0.03 1.61 1.02 -0.26 -4.93 119.74 117.57 2g1d s LYS 8 Ca 0.47 -0.30 0.07 0.00 0.02 0.00 0.00 55.97 56.24 2g1d s LYS 8 Cb -0.26 -1.79 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 2g1d s LYS 8 CO 0.32 -0.52 -0.26 1.03 -0.92 0.00 0.00 175.35 175.01 2g1d s ARG 9 N 1.85 2.27 -0.17 1.68 0.52 -1.26 0.89 118.95 124.73 2g1d s ARG 9 Ca 0.01 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 2g1d s ARG 9 Cb -0.15 -2.09 0.04 0.00 0.52 0.00 0.00 34.95 33.27 2g1d s ARG 9 CO -0.07 0.49 -0.08 0.34 0.02 0.00 0.00 175.30 176.00 2g1d s ASP 10 N -0.45 2.99 -0.25 0.23 2.15 -0.80 -4.94 116.67 115.60 2g1d s ASP 10 Ca 0.05 -0.71 0.01 0.00 0.43 0.00 0.00 52.55 52.33 2g1d s ASP 10 Cb -0.11 -1.05 0.04 0.00 -0.30 0.00 0.00 42.92 41.50 2g1d s ASP 10 CO 0.01 -0.15 -0.09 0.20 -0.17 0.00 0.00 175.17 174.96 2g1d s ASN 11 N 1.53 4.30 0.00 -0.34 0.01 -1.25 -1.53 114.94 117.67 2g1d s ASN 11 Ca 0.01 -1.14 0.00 0.00 -0.71 0.00 0.00 52.86 51.01 2g1d s ASN 11 Cb -0.15 -1.59 0.00 0.00 0.41 0.00 0.00 41.25 39.91 2g1d s ASN 11 CO -0.08 -0.16 0.00 -0.81 -1.51 0.00 0.00 177.10 174.54 2g1d n PRO 12 N 4.55 0.00 -0.05 -0.60 -0.04 -1.26 -4.72 135.00 132.88 2g1d n PRO 12 Ca -0.15 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 2g1d n PRO 12 Cb 0.45 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.84 2g1d n PRO 12 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2g1d h ILE 13 N 0.00 1.31 -0.34 0.52 3.07 -2.01 -3.33 117.51 116.72 2g1d h ILE 13 Ca 0.00 -1.79 0.00 0.00 1.55 0.00 0.00 64.86 64.62 2g1d h ILE 13 Cb 0.00 1.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2g1d h ILE 13 CO 0.00 0.56 0.00 0.00 -1.05 0.00 0.00 178.15 177.66 2g1d n LEU 14 N -4.10 2.98 -3.46 0.16 -0.00 -1.26 -5.02 117.00 106.31 2g1d n LEU 14 Ca -0.06 -1.68 -0.19 0.00 -0.00 0.00 0.00 56.01 54.08 2g1d n LEU 14 Cb 0.63 -0.22 0.07 0.00 -0.00 0.00 0.00 43.42 43.90 2g1d n LEU 14 CO 0.49 0.69 0.03 0.29 -0.00 0.00 0.00 177.39 178.90 2g1d n LYS 15 N 0.91 -4.55 -3.46 1.47 4.01 -1.25 -3.61 118.16 111.68 2g1d n LYS 15 Ca 0.14 0.77 -0.37 0.00 -0.51 0.00 0.00 58.31 58.34 2g1d n LYS 15 Cb 0.46 -5.57 -0.06 0.00 -0.51 0.00 0.00 35.03 29.35 2g1d n LYS 15 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2g1d s ARG 16 N -5.27 4.20 0.23 1.97 3.52 -0.58 -3.27 118.95 119.74 2g1d s ARG 16 Ca 0.17 0.28 0.09 0.00 -0.13 0.00 0.00 55.73 56.14 2g1d s ARG 16 Cb -0.03 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 29.93 2g1d s ARG 16 CO 0.76 0.31 -0.17 -1.59 -0.81 0.00 0.00 175.30 173.80 2g1d s LYS 17 N 0.18 1.45 -0.22 5.12 0.00 -1.15 -1.91 119.74 123.21 2g1d s LYS 17 Ca 0.21 -1.63 -0.01 0.00 0.00 0.00 0.00 55.97 54.54 2g1d s LYS 17 Cb -0.14 -1.40 0.06 0.00 0.00 0.00 0.00 37.83 36.35 2g1d s LYS 17 CO 0.08 0.25 0.01 -1.21 0.00 0.00 0.00 175.35 174.48 2g1d s GLU 18 N -3.45 1.04 0.07 1.78 2.02 0.26 -2.84 118.70 117.57 2g1d s GLU 18 Ca 0.24 -0.70 0.05 0.00 0.02 0.00 0.00 54.97 54.58 2g1d s GLU 18 Cb -0.03 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 2g1d s GLU 18 CO 0.10 -0.65 -0.13 0.96 0.02 0.00 0.00 175.26 175.55 2g1d s ILE 19 N 1.66 1.03 -0.06 -1.63 -0.00 -0.89 -1.11 121.20 120.19 2g1d s ILE 19 Ca -0.02 -1.27 -0.11 0.00 -0.00 0.00 0.00 60.65 59.25 2g1d s ILE 19 Cb -0.18 -1.00 -0.05 0.00 -0.00 0.00 0.00 42.46 41.23 2g1d s ILE 19 CO -0.08 -0.24 0.29 -1.59 -0.00 0.00 0.00 174.94 173.31 2g1d s LYS 20 N -1.70 3.75 0.03 0.37 0.00 0.43 0.56 119.74 123.17 2g1d s LYS 20 Ca -0.03 0.17 0.01 0.00 0.00 0.00 0.00 55.97 56.11 2g1d s LYS 20 Cb -0.10 -3.22 -0.02 0.00 0.00 0.00 0.00 37.83 34.49 2g1d s LYS 20 CO 0.02 0.70 -0.04 1.52 0.00 0.00 0.00 175.35 177.54 2g1d s TYR 21 N -0.95 0.37 -0.02 1.78 1.13 -0.83 -0.26 117.35 118.57 2g1d s TYR 21 Ca 0.20 -0.53 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 2g1d s TYR 21 Cb -0.15 -0.25 0.02 0.00 -1.10 0.00 0.00 41.96 40.49 2g1d s TYR 21 CO 0.09 -0.16 -0.00 0.08 -2.51 0.00 0.00 175.55 173.04 2g1d s VAL 22 N -1.45 0.15 -0.19 -3.49 1.01 -0.72 -1.36 120.40 114.35 2g1d s VAL 22 Ca -0.14 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2g1d s VAL 22 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2g1d s VAL 22 CO -0.01 0.12 -0.06 -0.22 0.00 0.00 0.00 175.10 174.93 2g1d s LEU 23 N 0.83 2.92 -0.28 3.92 2.96 -0.19 0.29 118.68 129.13 2g1d s LEU 23 Ca -0.08 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 2g1d s LEU 23 Cb -0.11 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2g1d s LEU 23 CO -0.02 0.06 0.17 -0.54 -1.32 0.00 0.00 176.35 174.71 2g1d s LYS 24 N 1.00 3.91 -0.12 1.98 1.02 0.36 -1.23 119.74 126.66 2g1d s LYS 24 Ca -0.00 -0.34 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 2g1d s LYS 24 Cb -0.15 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2g1d s LYS 24 CO 0.00 -0.18 -0.08 -0.59 -0.92 0.00 0.00 175.35 173.58 2g1d s PHE 25 N 1.73 2.92 0.23 3.18 -0.71 -1.23 0.15 117.98 124.26 2g1d s PHE 25 Ca 0.07 -0.30 -0.09 0.00 -1.04 0.00 0.00 56.93 55.57 2g1d s PHE 25 Cb -0.16 -1.84 -0.02 0.00 -1.21 0.00 0.00 43.02 39.79 2g1d s PHE 25 CO 0.10 0.03 0.36 0.16 -1.34 0.00 0.00 175.22 174.53 2g1d s ASP 26 N -0.02 -0.01 -0.70 1.98 1.47 -1.26 -4.75 116.67 113.38 2g1d s ASP 26 Ca -0.01 -1.09 -0.04 0.00 1.18 0.00 0.00 52.55 52.59 2g1d s ASP 26 Cb -0.14 0.52 0.01 0.00 -0.34 0.00 0.00 42.92 42.97 2g1d s ASP 26 CO 0.03 -1.04 0.67 -1.20 0.68 0.00 0.00 175.17 174.31 2g1d n SER 27 N -0.35 -7.23 -2.03 2.11 7.64 -1.26 -4.58 113.62 107.92 2g1d n SER 27 Ca -0.00 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2g1d n SER 27 Cb 0.63 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 2g1d n SER 27 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2g1d n SER 28 N -1.62 -8.38 -4.60 6.43 7.64 -1.26 -4.76 113.62 107.08 2g1d n SER 28 Ca -0.04 1.42 -0.43 0.00 1.01 0.00 0.00 58.87 60.83 2g1d n SER 28 Cb 0.54 -4.63 -0.02 0.00 -1.01 0.00 0.00 64.21 59.08 2g1d n SER 28 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2g1d s ARG 29 N -0.86 3.39 -0.28 1.43 6.06 -1.26 -4.96 118.95 122.46 2g1d s ARG 29 Ca 0.00 1.16 0.03 0.00 -2.50 0.00 0.00 55.73 54.42 2g1d s ARG 29 Cb 0.00 -4.14 0.07 0.00 0.06 0.00 0.00 34.95 30.94 2g1d s ARG 29 CO 0.00 -1.80 -0.05 -0.08 -2.50 0.00 0.00 175.30 170.87 2g1d s THR 30 N 6.42 2.11 0.01 4.11 -1.32 -1.26 -5.10 115.64 120.61 2g1d s THR 30 Ca 0.71 -1.82 -0.30 0.00 -1.21 0.00 0.00 61.69 59.07 2g1d s THR 30 Cb -0.18 -2.35 -0.05 0.00 -1.51 0.00 0.00 72.50 68.41 2g1d s THR 30 CO 0.32 -0.23 1.25 -2.16 -2.21 0.00 0.00 174.62 171.59 2g1d s PRO 31 N 1.08 4.37 0.16 7.08 0.04 -1.26 -4.94 135.00 141.52 2g1d s PRO 31 Ca -0.02 1.79 0.11 0.00 0.04 0.00 0.00 61.00 62.92 2g1d s PRO 31 Cb -0.20 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 2g1d s PRO 31 CO -0.07 -0.40 -0.25 0.45 0.04 0.00 0.00 177.00 176.77 2g1d s SER 32 N 1.38 3.37 -0.07 6.66 0.15 -1.26 -5.06 113.70 118.86 2g1d s SER 32 Ca 0.59 -0.81 -0.27 0.00 0.70 0.00 0.00 55.95 56.16 2g1d s SER 32 Cb -0.28 -0.24 -0.22 0.00 -1.71 0.00 0.00 66.02 63.57 2g1d s SER 32 CO 0.26 0.15 1.02 0.03 1.20 0.00 0.00 173.24 175.90 2g1d h ARG 33 N 3.53 -0.01 -0.00 5.44 -0.00 -2.00 -3.26 114.38 118.08 2g1d h ARG 33 Ca -0.49 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 58.92 2g1d h ARG 33 Cb 1.19 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.17 2g1d h ARG 33 CO 0.44 0.68 -0.30 1.49 0.00 0.00 0.00 179.97 182.27 2g1d h GLU 34 N -0.73 0.21 0.11 0.04 4.57 -1.97 -2.95 114.58 113.86 2g1d h GLU 34 Ca -0.00 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2g1d h GLU 34 Cb 0.70 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 2g1d h GLU 34 CO 0.00 0.95 -0.17 0.93 -1.18 0.00 0.00 179.01 179.54 2g1d h GLU 35 N -0.44 -0.32 0.14 1.92 4.39 -1.98 0.33 114.58 118.62 2g1d h GLU 35 Ca -0.04 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2g1d h GLU 35 Cb 1.05 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2g1d h GLU 35 CO 0.06 -0.21 -0.07 0.97 -1.16 0.00 0.00 179.01 178.60 2g1d h ILE 36 N -0.33 0.76 0.30 3.13 -0.00 -1.73 -2.43 117.51 117.21 2g1d h ILE 36 Ca 0.02 -1.23 -0.01 0.00 -0.00 0.00 0.00 64.86 63.65 2g1d h ILE 36 Cb 0.34 1.32 -0.01 0.00 -0.00 0.00 0.00 36.82 38.48 2g1d h ILE 36 CO -0.08 0.22 -0.22 0.11 -0.00 0.00 0.00 178.15 178.17 2g1d h LYS 37 N -0.93 -0.50 0.25 2.19 1.57 -1.59 0.45 116.57 118.00 2g1d h LYS 37 Ca -0.02 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2g1d h LYS 37 Cb 0.49 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2g1d h LYS 37 CO 0.03 -0.34 -0.12 1.05 -0.57 0.00 0.00 179.45 179.50 2g1d h GLU 38 N -0.52 -0.32 -0.37 3.15 4.11 -0.47 0.21 114.58 120.36 2g1d h GLU 38 Ca -0.02 0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.53 2g1d h GLU 38 Cb 0.45 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2g1d h GLU 38 CO 0.00 -0.01 0.26 1.25 0.07 0.00 0.00 179.01 180.59 2g1d h LEU 39 N -0.66 0.03 0.06 3.06 6.46 -1.39 0.22 115.31 123.10 2g1d h LEU 39 Ca -0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2g1d h LEU 39 Cb 0.46 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2g1d h LEU 39 CO 0.06 0.02 -0.03 0.16 -0.62 0.00 0.00 178.44 178.03 2g1d h ILE 40 N 0.04 1.00 -0.13 4.05 3.07 0.21 -2.76 117.51 122.97 2g1d h ILE 40 Ca 0.17 -1.53 -0.01 0.00 1.55 0.00 0.00 64.86 65.05 2g1d h ILE 40 Cb 0.65 1.80 -0.01 0.00 -0.27 0.00 0.00 36.82 38.99 2g1d h ILE 40 CO -0.01 0.31 0.06 0.00 -1.05 0.00 0.00 178.15 177.46 2g1d h ALA 41 N -0.34 0.17 -0.22 0.16 0.00 -0.27 0.86 119.26 119.62 2g1d h ALA 41 Ca -0.01 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2g1d h ALA 41 Cb 0.57 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2g1d h ALA 41 CO 0.01 -0.26 -0.09 0.87 0.00 0.00 0.00 179.25 179.79 2g1d h LYS 42 N 0.07 -0.05 -0.53 0.00 1.57 0.23 0.41 116.57 118.27 2g1d h LYS 42 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2g1d h LYS 42 Cb 0.14 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2g1d h LYS 42 CO -0.00 -0.04 0.28 0.45 -0.57 0.00 0.00 179.45 179.57 2g1d h HIS 43 N -0.06 0.73 0.00 -1.35 3.86 -1.34 -1.07 115.15 115.92 2g1d h HIS 43 Ca 0.12 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2g1d h HIS 43 Cb 0.23 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2g1d h HIS 43 CO -0.26 0.54 0.30 0.39 0.86 0.00 0.00 177.93 179.76 2g1d n GLU 44 N -4.62 0.04 -0.07 2.45 1.02 0.30 -4.62 120.64 115.13 2g1d n GLU 44 Ca 0.03 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 2g1d n GLU 44 Cb 0.09 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 2g1d n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g1d n GLY 45 N -1.26 1.55 3.60 0.62 0.00 -0.33 -4.69 105.19 104.68 2g1d n GLY 45 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2g1d n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g1d s VAL 46 N -2.00 0.01 0.73 1.61 -7.23 0.12 -4.99 120.40 108.64 2g1d s VAL 46 Ca 0.00 -1.16 -0.12 0.00 -1.81 0.00 0.00 61.98 58.89 2g1d s VAL 46 Cb 0.00 -1.97 0.17 0.00 0.56 0.00 0.00 36.38 35.13 2g1d s VAL 46 CO 0.00 -0.05 0.99 0.47 -0.31 0.00 0.00 175.10 176.19 2g1d n ASP 47 N -0.37 0.10 0.20 4.85 8.00 -1.26 -0.42 116.55 127.64 2g1d n ASP 47 Ca -0.05 -1.37 0.06 0.00 0.71 0.00 0.00 54.79 54.14 2g1d n ASP 47 Cb 0.62 -0.75 0.41 0.00 -0.02 0.00 0.00 41.12 41.38 2g1d n ASP 47 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2g1d h LYS 48 N 0.00 0.00 -0.32 -1.24 2.10 -1.91 -3.03 116.57 112.18 2g1d h LYS 48 Ca -0.32 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.23 2g1d h LYS 48 Cb 0.88 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.21 2g1d h LYS 48 CO 0.23 0.33 -0.21 0.93 -2.00 0.00 0.00 179.45 178.73 2g1d h GLU 49 N 0.00 0.70 -0.79 0.07 3.07 -1.93 -3.13 114.58 112.56 2g1d h GLU 49 Ca -0.00 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 2g1d h GLU 49 Cb 0.71 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2g1d h GLU 49 CO 0.04 0.94 0.00 1.28 -1.40 0.00 0.00 179.01 179.87 2g1d n LEU 50 N -4.31 0.79 -4.51 1.33 4.77 -0.92 -4.73 117.00 109.41 2g1d n LEU 50 Ca -0.03 -0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 2g1d n LEU 50 Cb 0.42 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 2g1d n LEU 50 CO 0.44 0.20 -0.05 -0.69 -1.33 0.00 0.00 177.39 175.96 2g1d s VAL 51 N -1.08 5.23 -0.25 4.08 1.01 -1.19 -1.03 120.40 127.17 2g1d s VAL 51 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2g1d s VAL 51 Cb 0.00 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.64 2g1d s VAL 51 CO 0.00 -0.14 0.07 -0.51 0.00 0.00 0.00 175.10 174.52 2g1d s ILE 52 N 1.83 0.59 -0.18 2.22 1.10 0.49 -4.92 121.20 122.34 2g1d s ILE 52 Ca 0.08 -0.92 -0.00 0.00 -0.51 0.00 0.00 60.65 59.30 2g1d s ILE 52 Cb -0.17 -1.28 0.04 0.00 0.15 0.00 0.00 42.46 41.20 2g1d s ILE 52 CO 0.11 -0.46 -0.05 0.68 -2.11 0.00 0.00 174.94 173.11 2g1d s VAL 53 N 1.79 1.15 0.19 4.00 -7.23 -1.26 0.30 120.40 119.35 2g1d s VAL 53 Ca 0.04 -0.70 0.09 0.00 -1.81 0.00 0.00 61.98 59.60 2g1d s VAL 53 Cb -0.17 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2g1d s VAL 53 CO -0.19 0.09 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.79 2g1d s ASP 54 N 1.61 4.21 0.57 4.85 1.01 -1.26 -4.97 116.67 122.69 2g1d s ASP 54 Ca -0.00 -0.61 0.00 0.00 0.71 0.00 0.00 52.55 52.65 2g1d s ASP 54 Cb -0.16 -0.69 0.00 0.00 1.01 0.00 0.00 42.92 43.08 2g1d s ASP 54 CO -0.08 0.09 0.00 -3.20 0.21 0.00 0.00 175.17 172.20 2g1d n ASN 55 N -0.05 -8.98 -3.42 0.27 2.85 -1.26 -4.60 115.26 100.08 2g1d n ASN 55 Ca -0.10 1.46 -0.15 0.00 -0.11 0.00 0.00 54.58 55.68 2g1d n ASN 55 Cb 0.56 -5.17 -0.10 0.00 1.24 0.00 0.00 39.78 36.30 2g1d n ASN 55 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2g1d s ASN 56 N -3.96 1.12 -0.35 1.20 2.20 -1.26 -4.20 114.94 109.68 2g1d s ASN 56 Ca 0.00 -0.28 -0.29 0.00 -0.94 0.00 0.00 52.86 51.35 2g1d s ASN 56 Cb 0.00 0.66 0.01 0.00 -2.00 0.00 0.00 41.25 39.92 2g1d s ASN 56 CO 0.00 -0.34 1.23 -1.59 -2.94 0.00 0.00 177.10 173.46 2g1d s LYS 57 N 2.41 3.88 -0.46 3.55 -2.85 0.66 -4.77 119.74 122.16 2g1d s LYS 57 Ca 0.09 1.04 -0.15 0.00 -1.00 0.00 0.00 55.97 55.95 2g1d s LYS 57 Cb -0.15 -3.87 0.06 0.00 -2.06 0.00 0.00 37.83 31.81 2g1d s LYS 57 CO -0.21 -1.17 0.37 -1.14 0.10 0.00 0.00 175.35 173.31 2g1d s GLN 58 N 4.19 2.98 -0.24 1.78 0.74 -1.24 -1.74 119.66 126.13 2g1d s GLN 58 Ca 0.53 -1.26 0.02 0.00 0.05 0.00 0.00 55.36 54.69 2g1d s GLN 58 Cb -0.13 -4.09 0.05 0.00 1.10 0.00 0.00 33.01 29.93 2g1d s GLN 58 CO 0.24 -0.96 -0.12 -0.48 -0.55 0.00 0.00 175.29 173.42 2g1d s LEU 59 N 1.66 2.98 0.00 3.68 -0.00 -1.26 -4.93 118.68 120.81 2g1d s LEU 59 Ca 0.04 -1.18 0.00 0.00 -0.00 0.00 0.00 54.13 53.00 2g1d s LEU 59 Cb -0.23 -1.47 0.00 0.00 -0.00 0.00 0.00 46.19 44.50 2g1d s LEU 59 CO 0.08 -0.15 0.00 1.07 -0.00 0.00 0.00 176.35 177.34 2g1d n THR 60 N 4.52 0.00 -0.00 5.48 5.66 -1.26 -4.90 114.28 123.77 2g1d n THR 60 Ca -0.15 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2g1d n THR 60 Cb 0.44 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.21 2g1d n THR 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g1d n GLY 61 N -0.72 -0.06 0.00 1.09 0.00 -1.26 -4.90 105.19 99.34 2g1d n GLY 61 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2g1d n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2g1d n LYS 62 N -1.92 0.00 0.00 1.61 4.81 -1.26 -4.99 118.16 116.41 2g1d n LYS 62 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2g1d n LYS 62 Cb 0.41 -0.52 0.00 0.00 0.02 0.00 0.00 35.03 34.94 2g1d n LYS 62 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2g1d n HIS 63 N -0.14 0.00 -4.29 5.64 8.25 -1.26 -5.16 115.22 118.27 2g1d n HIS 63 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2g1d n HIS 63 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 2g1d n HIS 63 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2g1d s GLU 64 N 0.00 1.15 -0.07 -0.41 2.02 -1.26 -3.54 118.70 116.59 2g1d s GLU 64 Ca 0.00 -1.33 0.03 0.00 0.02 0.00 0.00 54.97 53.69 2g1d s GLU 64 Cb 0.00 -1.10 -0.02 0.00 0.10 0.00 0.00 34.13 33.11 2g1d s GLU 64 CO 0.00 0.22 -0.13 -1.50 0.02 0.00 0.00 175.26 173.86 2g1d s ILE 65 N -2.14 3.15 0.32 -1.63 2.07 -0.37 -4.64 121.20 117.96 2g1d s ILE 65 Ca 0.12 -0.68 0.10 0.00 -1.41 0.00 0.00 60.65 58.78 2g1d s ILE 65 Cb -0.05 -2.26 -0.05 0.00 0.13 0.00 0.00 42.46 40.23 2g1d s ILE 65 CO 0.05 0.58 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.91 2g1d s GLU 66 N -0.54 1.98 0.00 3.50 2.12 -0.71 -1.02 118.70 124.02 2g1d s GLU 66 Ca 0.07 -1.76 0.00 0.00 0.36 0.00 0.00 54.97 53.65 2g1d s GLU 66 Cb -0.12 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.40 2g1d s GLU 66 CO 0.02 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 2g1d n GLY 67 N -0.86 -0.52 3.16 -1.50 0.00 -0.47 0.24 105.19 105.25 2g1d n GLY 67 Ca -0.05 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 2g1d n GLY 67 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2g1d s TYR 68 N -3.01 1.97 0.03 1.61 -0.85 -1.26 -1.96 117.35 113.88 2g1d s TYR 68 Ca 0.00 -0.66 0.01 0.00 -0.52 0.00 0.00 57.07 55.90 2g1d s TYR 68 Cb 0.00 -1.34 -0.04 0.00 0.38 0.00 0.00 41.96 40.97 2g1d s TYR 68 CO 0.00 -0.25 0.05 0.99 -1.52 0.00 0.00 175.55 174.82 2g1d s THR 69 N 0.19 4.46 -0.00 -3.49 2.01 0.19 -4.27 115.64 114.73 2g1d s THR 69 Ca -0.09 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.36 2g1d s THR 69 Cb -0.14 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2g1d s THR 69 CO 0.04 0.27 -0.17 -0.75 -0.69 0.00 0.00 174.62 173.32 2g1d s LYS 70 N -1.92 2.26 0.01 4.92 2.20 0.15 -2.10 119.74 125.25 2g1d s LYS 70 Ca 0.24 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 2g1d s LYS 70 Cb -0.12 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.94 2g1d s LYS 70 CO 0.16 0.58 -0.07 0.42 -0.36 0.00 0.00 175.35 176.08 2g1d s ILE 71 N -0.80 0.51 -0.27 5.43 1.01 -1.13 -0.38 121.20 125.57 2g1d s ILE 71 Ca 0.13 -0.46 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 2g1d s ILE 71 Cb -0.10 -0.46 0.04 0.00 0.01 0.00 0.00 42.46 41.94 2g1d s ILE 71 CO 0.03 0.01 -0.06 -0.72 0.00 0.00 0.00 174.94 174.20 2g1d s TYR 72 N -0.44 3.19 -0.78 3.97 1.13 -0.19 -2.93 117.35 121.29 2g1d s TYR 72 Ca -0.00 -1.89 0.24 0.00 -1.41 0.00 0.00 57.07 54.00 2g1d s TYR 72 Cb -0.04 -2.04 0.35 0.00 -1.10 0.00 0.00 41.96 39.13 2g1d s TYR 72 CO -0.00 -0.80 1.30 0.00 -2.51 0.00 0.00 175.55 173.53 2g1d n ALA 73 N 4.58 3.28 0.70 9.51 0.00 -1.20 -2.18 120.51 135.20 2g1d n ALA 73 Ca -0.15 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.09 2g1d n ALA 73 Cb 0.44 -1.11 0.47 0.00 0.00 0.00 0.00 19.45 19.26 2g1d n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g1d n ASP 74 N -1.83 0.25 0.19 0.00 5.75 -1.24 -3.79 116.55 115.89 2g1d n ASP 74 Ca 0.04 0.54 -0.14 0.00 -0.01 0.00 0.00 54.79 55.22 2g1d n ASP 74 Cb 0.40 -0.60 -0.08 0.00 -1.03 0.00 0.00 41.12 39.81 2g1d n ASP 74 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2g1d h LYS 75 N 0.00 -0.48 -0.36 0.11 3.64 -1.90 -1.77 116.57 115.82 2g1d h LYS 75 Ca 0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2g1d h LYS 75 Cb 0.45 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2g1d h LYS 75 CO 0.00 -0.18 0.18 -1.00 -2.27 0.00 0.00 179.45 176.18 2g1d h PRO 76 N -0.76 0.52 -0.59 1.90 0.13 -1.85 -0.74 132.00 130.61 2g1d h PRO 76 Ca -0.05 -0.07 0.09 0.00 -0.87 0.00 0.00 66.00 65.09 2g1d h PRO 76 Cb 0.52 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 2g1d h PRO 76 CO 0.08 0.45 0.39 0.66 -0.23 0.00 0.00 178.00 179.36 2g1d h SER 77 N 0.45 0.40 -0.09 1.44 4.64 -1.67 0.75 113.55 119.48 2g1d h SER 77 Ca 0.13 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 2g1d h SER 77 Cb 0.10 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2g1d h SER 77 CO -0.02 0.25 -0.23 0.00 -0.87 0.00 0.00 176.83 175.96 2g1d h ALA 78 N 1.70 0.15 -0.12 5.18 0.00 -0.63 0.17 119.26 125.71 2g1d h ALA 78 Ca 0.27 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2g1d h ALA 78 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2g1d h ALA 78 CO -0.07 0.12 -0.23 1.98 0.00 0.00 0.00 179.25 181.05 2g1d h MET 79 N -0.15 0.36 0.14 0.00 -1.53 -0.23 0.38 114.93 113.90 2g1d h MET 79 Ca -0.00 -0.23 -0.28 0.00 -3.44 0.00 0.00 59.70 55.74 2g1d h MET 79 Cb 0.84 0.03 0.03 0.00 -0.55 0.00 0.00 31.60 31.94 2g1d h MET 79 CO 0.05 0.83 -1.19 1.25 0.14 0.00 0.00 176.91 177.99 2g1d h LEU 80 N -0.06 0.80 -2.25 3.39 7.12 0.38 -3.33 115.31 121.37 2g1d h LEU 80 Ca 0.00 -0.85 0.00 0.00 0.13 0.00 0.00 57.88 57.16 2g1d h LEU 80 Cb 0.82 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 2g1d h LEU 80 CO 0.05 1.58 0.00 -1.22 -0.13 0.00 0.00 178.44 178.72 2g1d n TYR 81 N -3.86 0.39 -1.25 1.25 4.02 0.57 -5.05 117.16 113.24 2g1d n TYR 81 Ca -0.14 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 2g1d n TYR 81 Cb 0.97 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.28 2g1d n TYR 81 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2g1d n GLU 82 N 1.36 -3.55 0.00 -0.72 -0.58 0.13 -4.33 120.64 112.95 2g1d n GLU 82 Ca 0.17 2.60 0.04 0.00 -0.42 0.00 0.00 57.16 59.55 2g1d n GLU 82 Cb 0.57 -2.89 0.17 0.00 -0.57 0.00 0.00 31.44 28.73 2g1d n GLU 82 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2g1d n PRO 83 N -0.32 0.01 -0.16 3.49 -0.02 -0.91 -2.31 135.00 134.78 2g1d n PRO 83 Ca 0.00 0.35 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 2g1d n PRO 83 Cb 0.00 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.09 2g1d n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2g1d n ASP 84 N -1.48 1.57 -3.79 2.55 2.03 -1.26 -4.82 116.55 111.34 2g1d n ASP 84 Ca 0.02 -2.08 -0.13 0.00 0.52 0.00 0.00 54.79 53.12 2g1d n ASP 84 Cb 0.09 -0.27 -0.11 0.00 -0.72 0.00 0.00 41.12 40.11 2g1d n ASP 84 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2g1d s TYR 85 N -1.65 -0.24 -0.46 -0.67 5.04 -0.98 -5.11 117.35 113.29 2g1d s TYR 85 Ca 0.15 0.57 0.04 0.00 -2.44 0.00 0.00 57.07 55.39 2g1d s TYR 85 Cb 0.09 0.08 0.17 0.00 0.35 0.00 0.00 41.96 42.65 2g1d s TYR 85 CO 0.09 -0.16 0.36 -1.83 -1.34 0.00 0.00 175.55 172.67 2g1d s GLU 86 N -0.08 1.15 0.51 4.97 -1.05 -1.26 -4.85 118.70 118.09 2g1d s GLU 86 Ca -0.02 -2.29 0.28 0.00 -0.15 0.00 0.00 54.97 52.80 2g1d s GLU 86 Cb -0.02 -1.75 1.36 0.00 -0.44 0.00 0.00 34.13 33.28 2g1d s GLU 86 CO 0.01 -1.36 2.01 -0.07 0.95 0.00 0.00 175.26 176.79 2g1d h LEU 87 N 5.65 0.00 1.99 1.83 3.38 -1.97 -3.45 115.31 122.74 2g1d h LEU 87 Ca 0.24 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 2g1d h LEU 87 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2g1d h LEU 87 CO 0.42 0.13 -0.14 0.00 0.09 0.00 0.00 178.44 178.94 2g1d n ILE 88 N -3.46 -0.21 -2.62 1.22 3.06 -1.26 -4.84 119.36 111.24 2g1d n ILE 88 Ca -0.01 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.82 2g1d n ILE 88 Cb 0.29 -0.76 -0.03 0.00 0.54 0.00 0.00 39.64 39.68 2g1d n ILE 88 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 2g1d s ARG 89 N -4.45 3.51 0.16 9.51 1.81 -1.26 -4.98 118.95 123.25 2g1d s ARG 89 Ca 0.00 0.21 -0.07 0.00 -1.72 0.00 0.00 55.73 54.15 2g1d s ARG 89 Cb 0.00 -4.01 -0.02 0.00 -0.45 0.00 0.00 34.95 30.48 2g1d s ARG 89 CO 0.00 -1.62 0.23 -0.80 -0.68 0.00 0.00 175.30 172.43 2g1d s ASN 90 N 2.88 0.11 0.00 0.23 0.01 -1.26 -5.17 114.94 111.73 2g1d s ASN 90 Ca 0.42 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.58 2g1d s ASN 90 Cb -0.08 0.41 0.00 0.00 0.41 0.00 0.00 41.25 41.98 2g1d s ASN 90 CO 0.25 -0.86 0.00 0.61 -1.51 0.00 0.00 177.10 175.59 2g1d n GLY 91 N -0.20 2.66 2.86 0.66 0.00 -1.26 -5.10 105.19 104.81 2g1d n GLY 91 Ca -0.06 -1.22 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 2g1d n GLY 91 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2g1d n LEU 92 N 0.00 -7.68 -2.88 0.99 -0.00 -1.26 -5.01 117.00 101.16 2g1d n LEU 92 Ca 0.00 0.43 -0.12 0.00 -0.00 0.00 0.00 56.01 56.32 2g1d n LEU 92 Cb 0.00 -3.35 0.04 0.00 -0.00 0.00 0.00 43.42 40.11 2g1d n LEU 92 CO 0.00 -2.13 0.08 1.17 -0.00 0.00 0.00 177.39 176.51 2g1d n LYS 93 N -0.54 1.05 -1.44 1.96 3.00 -1.26 -4.94 118.16 116.00 2g1d n LYS 93 Ca 0.10 -2.66 -0.42 0.00 -0.00 0.00 0.00 58.31 55.32 2g1d n LYS 93 Cb 0.46 -1.16 -0.03 0.00 0.00 0.00 0.00 35.03 34.30 2g1d n LYS 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2g1d n GLN 94 N 0.11 2.21 -2.89 1.64 6.02 -1.26 -4.42 117.38 118.79 2g1d n GLN 94 Ca 0.12 -2.22 -0.06 0.00 -0.01 0.00 0.00 57.00 54.83 2g1d n GLN 94 Cb 0.73 -3.10 0.01 0.00 1.02 0.00 0.00 30.24 28.90 2g1d n GLN 94 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2g1d n LYS 95 N 6.48 -2.06 -2.24 -1.09 4.81 -1.26 -2.93 118.16 119.86 2g1d n LYS 95 Ca 0.51 1.93 -0.06 0.00 -0.87 0.00 0.00 58.31 59.82 2g1d n LYS 95 Cb 0.39 -5.66 -0.01 0.00 0.02 0.00 0.00 35.03 29.78 2g1d n LYS 95 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2g1d n GLU 96 N -0.71 -2.35 0.00 1.64 0.28 -1.26 -4.29 120.64 113.94 2g1d n GLU 96 Ca 0.09 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 2g1d n GLU 96 Cb 0.47 -4.78 0.00 0.00 1.43 0.00 0.00 31.44 28.55 2g1d n GLU 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2g1d n ALA 97 N -1.99 0.00 -1.47 -1.84 0.00 -1.15 -5.15 120.51 108.91 2g1d n ALA 97 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2g1d n ALA 97 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2g1d n ALA 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13