#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 0.96 -0.18 7.83 1.11 0.33 -4.80 116.67 121.93 2g1d s ASP 2 Ca 0.00 -0.43 -0.00 0.00 0.18 0.00 0.00 52.55 52.30 2g1d s ASP 2 Cb 0.00 -0.02 0.01 0.00 1.07 0.00 0.00 42.92 43.98 2g1d s ASP 2 CO 0.00 -0.10 -0.16 -0.22 1.18 0.00 0.00 175.17 175.88 2g1d s LEU 3 N -1.16 2.39 -0.37 1.23 1.98 -1.24 0.10 118.68 121.61 2g1d s LEU 3 Ca -0.05 -0.54 -0.11 0.00 -2.89 0.00 0.00 54.13 50.54 2g1d s LEU 3 Cb -0.08 -1.55 0.02 0.00 0.66 0.00 0.00 46.19 45.24 2g1d s LEU 3 CO 0.00 0.03 0.21 -0.63 -1.89 0.00 0.00 176.35 174.08 2g1d s ILE 4 N 1.13 4.69 -0.03 6.68 -1.09 0.22 -4.87 121.20 127.93 2g1d s ILE 4 Ca 0.01 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 2g1d s ILE 4 Cb -0.14 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 2g1d s ILE 4 CO -0.06 -0.21 -0.08 0.27 -1.23 0.00 0.00 174.94 173.63 2g1d s ILE 5 N 1.58 3.59 -0.46 2.92 -5.25 -1.26 0.29 121.20 122.61 2g1d s ILE 5 Ca 0.03 -0.66 0.09 0.00 -0.99 0.00 0.00 60.65 59.11 2g1d s ILE 5 Cb -0.19 -2.51 0.34 0.00 2.95 0.00 0.00 42.46 43.05 2g1d s ILE 5 CO 0.07 0.49 0.80 1.17 -1.79 0.00 0.00 174.94 175.68 2g1d n LYS 6 N 1.89 1.84 -2.04 0.37 4.81 0.12 -4.98 118.16 120.18 2g1d n LYS 6 Ca -0.17 -3.96 -0.42 0.00 -0.87 0.00 0.00 58.31 52.90 2g1d n LYS 6 Cb 0.53 -1.89 -0.03 0.00 0.02 0.00 0.00 35.03 33.65 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 -2.74 4.27 -0.18 1.64 8.01 -1.26 -2.05 118.70 126.39 2g1d s GLU 7 Ca 0.43 2.25 -0.01 0.00 0.01 0.00 0.00 54.97 57.64 2g1d s GLU 7 Cb 0.31 -3.17 0.05 0.00 -4.31 0.00 0.00 34.13 27.01 2g1d s GLU 7 CO -0.10 -0.48 -0.01 0.21 0.01 0.00 0.00 175.26 174.88 2g1d s LYS 8 N 0.61 1.06 -0.10 1.61 2.47 -0.30 -4.93 119.74 120.16 2g1d s LYS 8 Ca 0.65 -0.47 0.01 0.00 -1.56 0.00 0.00 55.97 54.59 2g1d s LYS 8 Cb -0.41 -2.01 -0.02 0.00 -1.46 0.00 0.00 37.83 33.93 2g1d s LYS 8 CO 0.35 -0.52 -0.11 -0.98 0.16 0.00 0.00 175.35 174.24 2g1d s ARG 9 N 1.73 3.07 -0.18 4.03 1.70 -1.26 0.63 118.95 128.67 2g1d s ARG 9 Ca -0.00 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 2g1d s ARG 9 Cb -0.16 -2.58 0.04 0.00 -0.57 0.00 0.00 34.95 31.67 2g1d s ARG 9 CO -0.07 0.41 -0.08 0.34 -1.08 0.00 0.00 175.30 174.81 2g1d s ASP 10 N -0.14 3.02 -0.27 -2.89 2.15 -0.53 -4.94 116.67 113.07 2g1d s ASP 10 Ca -0.00 -0.72 -0.01 0.00 0.43 0.00 0.00 52.55 52.25 2g1d s ASP 10 Cb -0.13 -1.07 0.04 0.00 -0.30 0.00 0.00 42.92 41.46 2g1d s ASP 10 CO 0.03 -0.15 -0.05 0.20 -0.17 0.00 0.00 175.17 175.03 2g1d s ASN 11 N 1.52 4.49 0.00 -0.34 -0.87 -1.24 -1.72 114.94 116.79 2g1d s ASN 11 Ca 0.01 -1.10 0.00 0.00 -1.57 0.00 0.00 52.86 50.19 2g1d s ASN 11 Cb -0.15 -1.65 0.00 0.00 -0.02 0.00 0.00 41.25 39.43 2g1d s ASN 11 CO -0.08 -0.18 0.00 -0.81 -2.57 0.00 0.00 177.10 173.46 2g1d n PRO 12 N 4.61 0.00 0.02 -0.60 -0.04 -1.26 -4.72 135.00 133.00 2g1d n PRO 12 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 2g1d n PRO 12 Cb 0.45 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 1.34 -0.53 0.52 -2.65 -1.99 -3.29 117.51 110.91 2g1d h ILE 13 Ca 0.00 -1.92 0.00 0.00 1.03 0.00 0.00 64.86 63.97 2g1d h ILE 13 Cb 0.00 1.90 0.00 0.00 -2.05 0.00 0.00 36.82 36.67 2g1d h ILE 13 CO 0.00 0.59 0.00 0.00 0.03 0.00 0.00 178.15 178.77 2g1d n LEU 14 N -3.92 3.70 -3.91 0.16 -0.00 -1.26 -5.02 117.00 106.75 2g1d n LEU 14 Ca -0.04 -2.16 -0.31 0.00 -0.00 0.00 0.00 56.01 53.51 2g1d n LEU 14 Cb 0.65 -0.41 -0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2g1d n LEU 14 CO 0.48 0.83 -0.19 2.29 -0.00 0.00 0.00 177.39 180.80 2g1d n LYS 15 N 0.95 -2.01 -3.94 1.47 0.00 -1.24 -4.30 118.16 109.08 2g1d n LYS 15 Ca 0.19 0.35 -0.27 0.00 -0.00 0.00 0.00 58.31 58.58 2g1d n LYS 15 Cb 0.61 -4.04 -0.03 0.00 -0.00 0.00 0.00 35.03 31.57 2g1d n LYS 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2g1d s ARG 16 N -6.56 3.44 0.11 -1.58 3.52 -0.70 -3.40 118.95 113.78 2g1d s ARG 16 Ca 0.22 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.29 2g1d s ARG 16 Cb -0.09 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 2g1d s ARG 16 CO 0.90 0.54 -0.08 0.21 -0.81 0.00 0.00 175.30 176.06 2g1d s LYS 17 N -3.08 0.87 -0.23 5.12 2.36 -1.12 -1.46 119.74 122.21 2g1d s LYS 17 Ca 0.35 -1.30 -0.01 0.00 -2.55 0.00 0.00 55.97 52.45 2g1d s LYS 17 Cb -0.11 -0.36 0.07 0.00 -1.05 0.00 0.00 37.83 36.37 2g1d s LYS 17 CO 0.28 0.02 0.02 -1.21 1.55 0.00 0.00 175.35 176.02 2g1d s GLU 18 N -3.50 0.93 0.06 4.03 2.02 0.21 -2.89 118.70 119.55 2g1d s GLU 18 Ca 0.11 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.45 2g1d s GLU 18 Cb 0.02 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 2g1d s GLU 18 CO -0.02 -0.69 -0.13 0.96 0.02 0.00 0.00 175.26 175.39 2g1d s ILE 19 N 1.69 1.05 -0.10 -1.63 -0.00 -0.78 -1.15 121.20 120.29 2g1d s ILE 19 Ca -0.00 -1.23 -0.12 0.00 -0.00 0.00 0.00 60.65 59.30 2g1d s ILE 19 Cb -0.18 -1.01 -0.05 0.00 -0.00 0.00 0.00 42.46 41.22 2g1d s ILE 19 CO -0.10 -0.20 0.27 -1.59 -0.00 0.00 0.00 174.94 173.31 2g1d s LYS 20 N -1.62 3.86 0.01 0.37 0.00 -0.87 0.33 119.74 121.82 2g1d s LYS 20 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 55.97 56.05 2g1d s LYS 20 Cb -0.10 -3.28 -0.01 0.00 0.00 0.00 0.00 37.83 34.44 2g1d s LYS 20 CO 0.02 0.58 -0.01 1.52 0.00 0.00 0.00 175.35 177.45 2g1d s TYR 21 N -0.56 0.17 -0.04 1.78 1.13 -1.07 0.15 117.35 118.91 2g1d s TYR 21 Ca 0.18 -0.34 0.05 0.00 -1.41 0.00 0.00 57.07 55.55 2g1d s TYR 21 Cb -0.14 -0.13 -0.01 0.00 -1.10 0.00 0.00 41.96 40.59 2g1d s TYR 21 CO 0.07 -0.14 -0.20 0.54 -2.51 0.00 0.00 175.55 173.31 2g1d s VAL 22 N -1.02 1.64 -0.17 -3.49 0.11 0.14 -1.51 120.40 116.11 2g1d s VAL 22 Ca -0.11 -0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 58.08 2g1d s VAL 22 Cb -0.07 -1.39 -0.01 0.00 -1.53 0.00 0.00 36.38 33.38 2g1d s VAL 22 CO -0.01 0.47 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.90 2g1d s LEU 23 N -0.14 2.69 -0.26 2.54 2.96 0.17 0.68 118.68 127.33 2g1d s LEU 23 Ca -0.01 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 2g1d s LEU 23 Cb -0.11 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2g1d s LEU 23 CO 0.02 0.07 0.16 -0.54 -1.32 0.00 0.00 176.35 174.74 2g1d s LYS 24 N 0.93 3.94 -0.09 1.98 1.02 0.29 -1.09 119.74 126.71 2g1d s LYS 24 Ca -0.02 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.66 2g1d s LYS 24 Cb -0.15 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 2g1d s LYS 24 CO -0.01 -0.11 -0.16 -0.59 -0.92 0.00 0.00 175.35 173.56 2g1d s PHE 25 N 1.54 2.70 0.29 3.18 -0.71 -1.25 0.12 117.98 123.85 2g1d s PHE 25 Ca 0.07 -0.55 -0.28 0.00 -1.04 0.00 0.00 56.93 55.13 2g1d s PHE 25 Cb -0.15 -1.73 -0.09 0.00 -1.21 0.00 0.00 43.02 39.83 2g1d s PHE 25 CO 0.08 -0.12 0.97 0.16 -1.34 0.00 0.00 175.22 174.98 2g1d s ASP 26 N -0.04 7.40 0.55 1.98 -4.77 -1.26 -4.82 116.67 115.71 2g1d s ASP 26 Ca -0.04 1.96 -0.21 0.00 -3.30 0.00 0.00 52.55 50.96 2g1d s ASP 26 Cb -0.14 -2.60 -0.05 0.00 -1.09 0.00 0.00 42.92 39.04 2g1d s ASP 26 CO 0.04 -0.03 1.29 -1.20 0.70 0.00 0.00 175.17 175.97 2g1d n SER 27 N 0.96 2.34 -3.53 2.11 7.64 -1.26 -3.01 113.62 118.87 2g1d n SER 27 Ca 0.00 0.95 -0.20 0.00 1.01 0.00 0.00 58.87 60.64 2g1d n SER 27 Cb 0.48 -1.54 0.08 0.00 -1.01 0.00 0.00 64.21 62.22 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 -0.94 -2.91 -4.40 6.43 7.64 -1.26 -5.01 113.62 113.18 2g1d n SER 28 Ca 0.11 -0.64 -0.24 0.00 1.01 0.00 0.00 58.87 59.11 2g1d n SER 28 Cb 0.45 -4.88 -0.11 0.00 -1.01 0.00 0.00 64.21 58.65 2g1d n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g1d s ARG 29 N -5.71 1.45 -0.23 1.43 1.70 -1.16 -5.13 118.95 111.29 2g1d s ARG 29 Ca 0.15 -1.53 -0.11 0.00 -0.47 0.00 0.00 55.73 53.77 2g1d s ARG 29 Cb -0.07 -1.61 -0.05 0.00 -0.57 0.00 0.00 34.95 32.65 2g1d s ARG 29 CO 0.75 0.33 0.19 0.99 -1.08 0.00 0.00 175.30 176.48 2g1d s THR 30 N -2.02 5.34 0.15 4.99 2.01 -1.26 -5.05 115.64 119.80 2g1d s THR 30 Ca 0.21 0.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.14 2g1d s THR 30 Cb -0.06 -3.53 -0.11 0.00 0.01 0.00 0.00 72.50 68.82 2g1d s THR 30 CO 0.09 0.34 1.72 -2.84 -0.69 0.00 0.00 174.62 173.25 2g1d s PRO 31 N 1.02 4.15 0.13 4.92 0.02 -1.26 -5.00 135.00 138.99 2g1d s PRO 31 Ca 0.09 2.52 0.06 0.00 0.02 0.00 0.00 61.00 63.70 2g1d s PRO 31 Cb -0.13 -3.33 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 2g1d s PRO 31 CO 0.04 -0.75 -0.01 0.45 -0.33 0.00 0.00 177.00 176.40 2g1d s SER 32 N 1.83 4.85 -0.06 2.53 0.15 -1.26 -5.04 113.70 116.69 2g1d s SER 32 Ca 0.76 -0.30 -0.27 0.00 0.70 0.00 0.00 55.95 56.84 2g1d s SER 32 Cb -0.46 -1.08 -0.22 0.00 -1.71 0.00 0.00 66.02 62.55 2g1d s SER 32 CO 0.33 0.13 1.07 0.08 1.20 0.00 0.00 173.24 176.05 2g1d h ARG 33 N 3.09 0.04 -0.04 5.44 -0.00 -2.00 -3.21 114.38 117.70 2g1d h ARG 33 Ca -0.48 -0.03 -0.20 0.00 -0.00 0.00 0.00 59.98 59.27 2g1d h ARG 33 Cb 1.18 0.01 0.01 0.00 -0.00 0.00 0.00 29.97 31.17 2g1d h ARG 33 CO 0.58 0.73 -0.77 1.49 -0.00 0.00 0.00 179.97 182.00 2g1d h GLU 34 N -0.65 0.60 0.06 0.08 4.81 -1.96 -2.37 114.58 115.15 2g1d h GLU 34 Ca -0.00 -0.59 0.02 0.00 -0.13 0.00 0.00 59.36 58.66 2g1d h GLU 34 Cb 0.74 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2g1d h GLU 34 CO 0.01 1.20 -0.15 1.49 -0.73 0.00 0.00 179.01 180.83 2g1d h GLU 35 N 0.21 -0.28 0.13 1.92 4.57 -1.97 0.62 114.58 119.78 2g1d h GLU 35 Ca -0.08 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2g1d h GLU 35 Cb 1.44 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 2g1d h GLU 35 CO 0.15 -0.18 -0.06 0.97 -1.18 0.00 0.00 179.01 178.71 2g1d h ILE 36 N -0.29 0.75 0.16 2.32 2.10 -1.69 -2.45 117.51 118.41 2g1d h ILE 36 Ca 0.03 -1.23 0.01 0.00 1.08 0.00 0.00 64.86 64.75 2g1d h ILE 36 Cb 0.32 1.32 -0.02 0.00 -1.09 0.00 0.00 36.82 37.34 2g1d h ILE 36 CO -0.10 0.22 -0.23 0.50 -1.08 0.00 0.00 178.15 177.45 2g1d h LYS 37 N -0.93 -0.43 -0.21 2.19 1.63 -1.46 0.74 116.57 118.09 2g1d h LYS 37 Ca -0.02 0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 2g1d h LYS 37 Cb 0.49 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2g1d h LYS 37 CO 0.03 -0.29 -0.37 1.05 -3.45 0.00 0.00 179.45 176.42 2g1d h GLU 38 N -0.45 0.46 -0.02 1.90 -0.00 0.10 0.21 114.58 116.78 2g1d h GLU 38 Ca 0.01 -0.22 -0.14 0.00 -0.00 0.00 0.00 59.36 59.02 2g1d h GLU 38 Cb 0.45 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.18 2g1d h GLU 38 CO -0.09 0.77 -0.63 1.25 -0.00 0.00 0.00 179.01 180.31 2g1d h LEU 39 N 0.39 0.09 0.05 3.06 6.46 -1.17 -2.27 115.31 121.93 2g1d h LEU 39 Ca 0.04 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2g1d h LEU 39 Cb 0.83 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 2g1d h LEU 39 CO 0.07 0.69 -0.02 0.16 -0.62 0.00 0.00 178.44 178.72 2g1d h ILE 40 N 0.06 0.97 -0.02 4.05 3.07 0.91 -2.92 117.51 123.63 2g1d h ILE 40 Ca -0.01 -1.56 -0.00 0.00 1.55 0.00 0.00 64.86 64.84 2g1d h ILE 40 Cb 1.12 1.77 -0.00 0.00 -0.27 0.00 0.00 36.82 39.44 2g1d h ILE 40 CO 0.09 0.31 0.01 0.00 -1.05 0.00 0.00 178.15 177.50 2g1d h ALA 41 N -0.39 0.02 -0.23 0.16 0.00 -0.69 0.77 119.26 118.90 2g1d h ALA 41 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2g1d h ALA 41 Cb 0.55 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2g1d h ALA 41 CO 0.01 -0.41 -0.07 0.87 0.00 0.00 0.00 179.25 179.65 2g1d h LYS 42 N -0.12 -0.02 -0.51 0.00 1.57 0.00 0.39 116.57 117.88 2g1d h LYS 42 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 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 -0.02 0.25 0.45 -0.57 0.00 0.00 179.45 179.57 2g1d h HIS 43 N -0.02 0.72 0.00 -1.35 3.86 -1.43 -0.58 115.15 116.34 2g1d h HIS 43 Ca 0.11 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2g1d h HIS 43 Cb 0.20 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.44 2g1d h HIS 43 CO -0.25 0.56 0.38 0.39 0.86 0.00 0.00 177.93 179.86 2g1d n GLU 44 N -4.62 0.06 0.00 2.45 1.02 0.27 -4.61 120.64 115.20 2g1d n GLU 44 Ca 0.02 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2g1d n GLU 44 Cb 0.11 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 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 1.53 3.61 0.62 0.00 -0.23 -4.67 105.19 104.80 2g1d n GLY 45 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.80 1.61 -7.23 0.11 -4.99 120.40 108.71 2g1d s VAL 46 Ca 0.00 -1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 58.85 2g1d s VAL 46 Cb 0.00 -2.00 0.18 0.00 0.56 0.00 0.00 36.38 35.12 2g1d s VAL 46 CO 0.00 -0.04 1.05 0.47 -0.31 0.00 0.00 175.10 176.26 2g1d n ASP 47 N -0.38 -0.07 0.21 4.85 8.00 -1.26 -0.25 116.55 127.64 2g1d n ASP 47 Ca -0.04 -1.36 0.06 0.00 0.71 0.00 0.00 54.79 54.16 2g1d n ASP 47 Cb 0.61 -0.81 0.45 0.00 -0.02 0.00 0.00 41.12 41.35 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 -0.12 -1.24 2.10 -1.91 -3.08 116.57 112.32 2g1d h LYS 48 Ca -0.34 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.10 2g1d h LYS 48 Cb 0.95 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.29 2g1d h LYS 48 CO 0.24 0.31 -0.72 0.93 -2.00 0.00 0.00 179.45 178.21 2g1d h GLU 49 N 0.00 0.70 -0.79 0.07 4.39 -1.93 -3.24 114.58 113.78 2g1d h GLU 49 Ca -0.00 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.10 2g1d h GLU 49 Cb 0.66 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2g1d h GLU 49 CO 0.04 1.20 0.00 1.28 -1.16 0.00 0.00 179.01 180.37 2g1d n LEU 50 N -4.02 0.79 -4.54 1.33 4.77 -0.98 -4.75 117.00 109.60 2g1d n LEU 50 Ca -0.08 -0.39 -0.41 0.00 -0.03 0.00 0.00 56.01 55.10 2g1d n LEU 50 Cb 0.72 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 2g1d n LEU 50 CO 0.51 0.20 0.02 -0.69 -1.33 0.00 0.00 177.39 176.10 2g1d s VAL 51 N -1.02 5.18 -0.25 4.08 1.01 -1.22 -1.15 120.40 127.02 2g1d s VAL 51 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2g1d s VAL 51 Cb 0.00 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.65 2g1d s VAL 51 CO 0.00 -0.08 0.05 -0.63 0.00 0.00 0.00 175.10 174.44 2g1d s ILE 52 N 2.00 0.80 -0.16 2.22 1.01 0.13 -4.92 121.20 122.28 2g1d s ILE 52 Ca 0.11 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 2g1d s ILE 52 Cb -0.17 -1.41 0.05 0.00 0.01 0.00 0.00 42.46 40.95 2g1d s ILE 52 CO 0.12 -0.41 0.02 0.68 0.00 0.00 0.00 174.94 175.35 2g1d s VAL 53 N 1.70 0.56 0.19 2.92 -7.23 -1.26 0.66 120.40 117.93 2g1d s VAL 53 Ca 0.03 -0.40 0.10 0.00 -1.81 0.00 0.00 61.98 59.90 2g1d s VAL 53 Cb -0.17 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 2g1d s VAL 53 CO -0.16 -0.05 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.63 2g1d s ASP 54 N 1.86 3.98 0.48 4.85 1.01 -1.26 -5.00 116.67 122.59 2g1d s ASP 54 Ca 0.01 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 52.58 2g1d s ASP 54 Cb -0.16 -0.56 0.00 0.00 1.01 0.00 0.00 42.92 43.21 2g1d s ASP 54 CO -0.07 0.10 0.00 0.59 0.21 0.00 0.00 175.17 176.00 2g1d n ASN 55 N 0.07 -7.18 -3.67 0.27 4.13 -1.26 -4.62 115.26 102.99 2g1d n ASN 55 Ca -0.11 1.42 -0.13 0.00 1.68 0.00 0.00 54.58 57.43 2g1d n ASN 55 Cb 0.56 -4.56 -0.13 0.00 -1.54 0.00 0.00 39.78 34.11 2g1d n ASN 55 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2g1d s ASN 56 N -4.64 0.31 -0.37 6.41 -0.87 -1.26 -4.29 114.94 110.23 2g1d s ASN 56 Ca 0.00 0.58 -0.21 0.00 -1.57 0.00 0.00 52.86 51.66 2g1d s ASN 56 Cb 0.00 0.67 0.01 0.00 -0.02 0.00 0.00 41.25 41.90 2g1d s ASN 56 CO 0.00 -0.23 0.69 -1.59 -2.57 0.00 0.00 177.10 173.39 2g1d s LYS 57 N 2.32 3.67 -0.46 -0.60 -2.85 0.66 -4.86 119.74 117.62 2g1d s LYS 57 Ca 0.00 0.10 -0.16 0.00 -1.00 0.00 0.00 55.97 54.92 2g1d s LYS 57 Cb -0.12 -3.82 0.06 0.00 -2.06 0.00 0.00 37.83 31.89 2g1d s LYS 57 CO -0.08 -0.80 0.43 -1.14 0.10 0.00 0.00 175.35 173.85 2g1d s GLN 58 N 2.86 3.02 -0.24 1.78 0.74 -1.24 -2.12 119.66 124.46 2g1d s GLN 58 Ca 0.27 -1.15 0.02 0.00 0.05 0.00 0.00 55.36 54.55 2g1d s GLN 58 Cb -0.14 -4.08 0.05 0.00 1.10 0.00 0.00 33.01 29.94 2g1d s GLN 58 CO 0.16 -1.00 -0.12 -0.48 -0.55 0.00 0.00 175.29 173.30 2g1d s LEU 59 N 1.88 3.03 0.00 3.68 -0.00 -1.26 -4.78 118.68 121.22 2g1d s LEU 59 Ca 0.07 -1.19 0.00 0.00 -0.00 0.00 0.00 54.13 53.01 2g1d s LEU 59 Cb -0.22 -1.48 0.00 0.00 -0.00 0.00 0.00 46.19 44.49 2g1d s LEU 59 CO 0.09 -0.15 0.00 1.07 -0.00 0.00 0.00 176.35 177.36 2g1d n THR 60 N 4.51 0.00 0.00 5.48 5.66 -1.26 -4.94 114.28 123.73 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 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 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 0.00 2.06 0.00 1.09 0.00 -1.26 -4.98 105.19 102.10 2g1d n GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2g1d n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g1d n LYS 62 N -2.00 0.00 -0.21 1.61 5.02 -1.26 -4.94 118.16 116.38 2g1d n LYS 62 Ca 0.00 0.01 -0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2g1d n LYS 62 Cb 0.00 -0.64 -0.00 0.00 -0.02 0.00 0.00 35.03 34.36 2g1d n LYS 62 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2g1d n HIS 63 N -0.16 0.00 -4.31 2.13 8.25 -1.26 -5.15 115.22 114.73 2g1d n HIS 63 Ca 0.00 -0.02 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 2g1d n HIS 63 Cb 0.00 0.20 -0.11 0.00 1.12 0.00 0.00 29.99 31.20 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 1.20 -0.04 -0.41 2.02 -1.26 -3.95 118.70 116.27 2g1d s GLU 64 Ca 0.00 -1.36 0.04 0.00 0.02 0.00 0.00 54.97 53.67 2g1d s GLU 64 Cb 0.00 -1.22 -0.03 0.00 0.10 0.00 0.00 34.13 32.98 2g1d s GLU 64 CO 0.00 0.25 -0.15 -1.50 0.02 0.00 0.00 175.26 173.88 2g1d s ILE 65 N -2.05 3.02 0.32 -1.63 2.07 -0.25 -4.74 121.20 117.94 2g1d s ILE 65 Ca 0.14 -0.78 0.10 0.00 -1.41 0.00 0.00 60.65 58.70 2g1d s ILE 65 Cb -0.06 -2.19 -0.05 0.00 0.13 0.00 0.00 42.46 40.29 2g1d s ILE 65 CO 0.06 0.56 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.89 2g1d s GLU 66 N -0.81 1.97 0.00 3.50 2.56 -0.90 0.44 118.70 125.47 2g1d s GLU 66 Ca 0.12 -1.75 0.00 0.00 0.00 0.00 0.00 54.97 53.34 2g1d s GLU 66 Cb -0.11 -1.88 0.00 0.00 2.00 0.00 0.00 34.13 34.14 2g1d s GLU 66 CO 0.01 0.21 0.00 0.41 -0.56 0.00 0.00 175.26 175.33 2g1d n GLY 67 N -0.85 -0.63 3.19 -1.50 0.00 -0.57 0.24 105.19 105.07 2g1d n GLY 67 Ca -0.05 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 2g1d n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g1d s TYR 68 N -3.56 2.12 -0.09 1.61 2.02 -1.26 -2.61 117.35 115.59 2g1d s TYR 68 Ca 0.00 -0.70 -0.01 0.00 -0.37 0.00 0.00 57.07 55.99 2g1d s TYR 68 Cb 0.00 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 2g1d s TYR 68 CO 0.00 -0.25 -0.04 0.95 -1.57 0.00 0.00 175.55 174.65 2g1d s THR 69 N 0.09 3.97 -0.01 -0.71 -4.23 0.15 -4.28 115.64 110.63 2g1d s THR 69 Ca -0.08 -0.37 0.07 0.00 -1.18 0.00 0.00 61.69 60.13 2g1d s THR 69 Cb -0.14 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 2g1d s THR 69 CO 0.04 0.58 -0.20 -0.75 -0.54 0.00 0.00 174.62 173.75 2g1d s LYS 70 N -0.63 2.18 0.02 3.99 2.20 0.21 -1.86 119.74 125.86 2g1d s LYS 70 Ca 0.10 -0.89 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 2g1d s LYS 70 Cb -0.12 -2.17 -0.01 0.00 -1.51 0.00 0.00 37.83 34.01 2g1d s LYS 70 CO 0.02 0.57 -0.08 0.42 -0.36 0.00 0.00 175.35 175.92 2g1d s ILE 71 N -0.75 0.58 -0.19 5.43 1.09 -1.14 0.22 121.20 126.44 2g1d s ILE 71 Ca 0.12 -0.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.98 2g1d s ILE 71 Cb -0.10 -0.57 0.04 0.00 -1.06 0.00 0.00 42.46 40.77 2g1d s ILE 71 CO 0.01 -0.10 -0.13 -0.72 -0.10 0.00 0.00 174.94 173.90 2g1d s TYR 72 N -0.75 2.56 -0.80 3.97 1.13 -0.30 -2.81 117.35 120.35 2g1d s TYR 72 Ca -0.03 -1.62 0.24 0.00 -1.41 0.00 0.00 57.07 54.26 2g1d s TYR 72 Cb -0.06 -1.73 0.37 0.00 -1.10 0.00 0.00 41.96 39.44 2g1d s TYR 72 CO 0.00 -0.76 1.32 0.00 -2.51 0.00 0.00 175.55 173.60 2g1d n ALA 73 N 4.66 3.28 0.76 9.51 0.00 -1.22 -2.32 120.51 135.17 2g1d n ALA 73 Ca -0.17 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.07 2g1d n ALA 73 Cb 0.48 -1.12 0.48 0.00 0.00 0.00 0.00 19.45 19.29 2g1d n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2g1d n ASP 74 N -1.81 0.07 0.20 0.00 2.03 -1.26 -3.74 116.55 112.04 2g1d n ASP 74 Ca 0.04 0.51 -0.14 0.00 0.52 0.00 0.00 54.79 55.72 2g1d n ASP 74 Cb 0.39 -0.53 -0.08 0.00 -0.72 0.00 0.00 41.12 40.18 2g1d n ASP 74 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2g1d h LYS 75 N 0.00 -0.50 -0.40 -0.67 3.11 -1.89 0.94 116.57 117.16 2g1d h LYS 75 Ca 0.00 0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.88 2g1d h LYS 75 Cb 0.41 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 2g1d h LYS 75 CO 0.00 -0.21 0.25 -1.00 -2.81 0.00 0.00 179.45 175.68 2g1d h PRO 76 N -0.78 0.50 -0.08 1.90 0.13 -1.85 0.16 132.00 131.98 2g1d h PRO 76 Ca -0.05 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.98 2g1d h PRO 76 Cb 0.53 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2g1d h PRO 76 CO 0.09 0.33 -0.26 0.77 -0.23 0.00 0.00 178.00 178.70 2g1d h SER 77 N 0.52 0.14 -0.20 1.44 0.02 -1.68 -2.08 113.55 111.70 2g1d h SER 77 Ca 0.15 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 2g1d h SER 77 Cb -0.03 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2g1d h SER 77 CO -0.05 0.40 -0.52 0.00 -1.14 0.00 0.00 176.83 175.52 2g1d h ALA 78 N 1.61 0.33 -0.47 3.77 0.00 0.02 0.22 119.26 124.73 2g1d h ALA 78 Ca 0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2g1d h ALA 78 Cb 0.54 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2g1d h ALA 78 CO 0.04 0.52 0.12 1.98 0.00 0.00 0.00 179.25 181.91 2g1d h MET 79 N 0.40 0.75 0.14 0.00 -1.53 -0.45 0.85 114.93 115.09 2g1d h MET 79 Ca -0.01 -0.18 -0.30 0.00 -3.44 0.00 0.00 59.70 55.77 2g1d h MET 79 Cb 1.14 -0.10 0.03 0.00 -0.55 0.00 0.00 31.60 32.12 2g1d h MET 79 CO 0.11 0.73 -1.27 1.25 0.14 0.00 0.00 176.91 177.87 2g1d h LEU 80 N 0.63 0.88 -0.20 3.39 7.12 -1.42 -2.96 115.31 122.74 2g1d h LEU 80 Ca 0.15 -0.84 -0.21 0.00 0.13 0.00 0.00 57.88 57.11 2g1d h LEU 80 Cb 0.32 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.16 2g1d h LEU 80 CO 0.00 1.63 -0.93 0.22 -0.13 0.00 0.00 178.44 179.23 2g1d h TYR 81 N 0.25 0.29 -2.25 1.25 3.20 -0.55 -3.36 116.97 115.81 2g1d h TYR 81 Ca -0.20 -0.17 -0.59 0.00 3.14 0.00 0.00 58.73 60.91 2g1d h TYR 81 Cb 1.95 -0.03 -0.42 0.00 1.54 0.00 0.00 36.73 39.77 2g1d h TYR 81 CO 0.12 1.02 -0.65 0.39 -1.64 0.00 0.00 178.16 177.40 2g1d n GLU 82 N -3.61 2.92 0.16 1.82 1.02 0.29 -4.85 120.64 118.39 2g1d n GLU 82 Ca -0.04 -4.74 0.04 0.00 -0.02 0.00 0.00 57.16 52.39 2g1d n GLU 82 Cb 0.85 -2.22 0.17 0.00 -0.02 0.00 0.00 31.44 30.22 2g1d n GLU 82 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2g1d h PRO 83 N 3.38 0.00 -0.70 3.49 0.13 -1.67 -3.14 132.00 133.50 2g1d h PRO 83 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2g1d h PRO 83 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2g1d h PRO 83 CO 0.81 0.47 0.00 -0.25 -0.23 0.00 0.00 178.00 178.80 2g1d n ASP 84 N -3.37 4.19 -1.40 1.44 9.92 -1.26 -5.07 116.55 121.00 2g1d n ASP 84 Ca 0.01 -2.18 0.17 0.00 -0.53 0.00 0.00 54.79 52.26 2g1d n ASP 84 Cb 0.64 -0.52 -0.08 0.00 -0.64 0.00 0.00 41.12 40.52 2g1d n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2g1d n TYR 85 N 1.41 -3.58 -3.82 1.24 9.36 -1.19 -4.81 117.16 115.77 2g1d n TYR 85 Ca 0.25 1.93 -0.36 0.00 3.32 0.00 0.00 57.90 63.04 2g1d n TYR 85 Cb 0.72 -3.26 -0.10 0.00 -0.63 0.00 0.00 39.34 36.06 2g1d n TYR 85 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 2g1d s GLU 86 N -3.84 3.93 0.08 2.98 -1.05 -1.26 -4.98 118.70 114.55 2g1d s GLU 86 Ca 0.00 -0.35 0.10 0.00 -0.15 0.00 0.00 54.97 54.57 2g1d s GLU 86 Cb 0.00 -3.37 -0.18 0.00 -0.44 0.00 0.00 34.13 30.14 2g1d s GLU 86 CO 0.00 0.07 1.06 1.25 0.95 0.00 0.00 175.26 178.59 2g1d h LEU 87 N 7.42 0.00 0.00 1.83 5.85 -2.05 -3.46 115.31 124.90 2g1d h LEU 87 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2g1d h LEU 87 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2g1d h LEU 87 CO 0.65 0.92 0.00 0.00 -0.34 0.00 0.00 178.44 179.67 2g1d n ILE 88 N -3.20 0.00 -2.01 4.05 0.13 -1.26 -5.10 119.36 111.96 2g1d n ILE 88 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 2g1d n ILE 88 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.75 2g1d n ILE 88 CO 0.00 0.00 0.00 -2.11 2.80 0.00 0.00 176.55 177.24 2g1d n ARG 89 N -0.46 -0.23 -1.17 9.51 1.85 -1.26 -4.84 116.66 120.06 2g1d n ARG 89 Ca 0.00 0.48 -0.21 0.00 -1.00 0.00 0.00 57.85 57.12 2g1d n ARG 89 Cb 0.00 -0.55 0.17 0.00 -1.05 0.00 0.00 32.46 31.04 2g1d n ARG 89 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2g1d n ASN 90 N 1.45 3.81 -1.65 2.89 5.15 -1.26 -4.33 115.26 121.32 2g1d n ASN 90 Ca 0.00 -3.66 -0.04 0.00 -0.60 0.00 0.00 54.58 50.28 2g1d n ASN 90 Cb 0.25 -0.81 0.01 0.00 -0.53 0.00 0.00 39.78 38.69 2g1d n ASN 90 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g1d n GLY 91 N -1.13 1.09 0.03 8.20 0.00 -1.26 -4.94 105.19 107.19 2g1d n GLY 91 Ca 0.55 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.49 2.16 -3.73 0.99 -0.00 -1.26 -4.91 117.00 109.75 2g1d n LEU 92 Ca -0.21 -0.03 -0.30 0.00 -0.00 0.00 0.00 56.01 55.48 2g1d n LEU 92 Cb 0.80 -0.15 -0.13 0.00 -0.00 0.00 0.00 43.42 43.93 2g1d n LEU 92 CO -0.13 0.49 -0.26 -0.54 -0.00 0.00 0.00 177.39 176.95 2g1d s LYS 93 N -2.15 1.25 -0.81 1.96 1.02 -1.26 -4.84 119.74 114.91 2g1d s LYS 93 Ca -0.08 -1.91 0.02 0.00 0.02 0.00 0.00 55.97 54.01 2g1d s LYS 93 Cb 0.02 -2.35 0.29 0.00 -0.52 0.00 0.00 37.83 35.28 2g1d s LYS 93 CO 0.19 -1.13 1.14 0.94 -0.92 0.00 0.00 175.35 175.57 2g1d n GLN 94 N 3.70 3.61 -2.32 1.68 7.27 -1.26 -4.77 117.38 125.27 2g1d n GLN 94 Ca 0.07 -4.67 -0.20 0.00 0.07 0.00 0.00 57.00 52.27 2g1d n GLN 94 Cb 0.35 -2.36 -0.02 0.00 2.41 0.00 0.00 30.24 30.63 2g1d n GLN 94 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2g1d n LYS 95 N 0.71 -1.69 -3.16 3.69 4.81 -1.26 -4.91 118.16 116.35 2g1d n LYS 95 Ca 0.31 1.01 0.06 0.00 -0.87 0.00 0.00 58.31 58.82 2g1d n LYS 95 Cb 0.36 -5.65 -0.02 0.00 0.02 0.00 0.00 35.03 29.74 2g1d n LYS 95 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2g1d s GLU 96 N -4.92 0.05 -0.28 1.64 -1.05 -1.26 -5.17 118.70 107.71 2g1d s GLU 96 Ca 0.00 0.10 -0.15 0.00 -0.15 0.00 0.00 54.97 54.77 2g1d s GLU 96 Cb 0.00 0.05 0.09 0.00 -0.44 0.00 0.00 34.13 33.83 2g1d s GLU 96 CO 0.00 -0.05 0.69 0.00 0.95 0.00 0.00 175.26 176.85 2g1d s ALA 97 N 2.87 -1.93 0.00 -0.84 0.00 -1.26 -4.78 121.76 115.82 2g1d s ALA 97 Ca -0.08 2.41 0.00 0.00 0.00 0.00 0.00 51.96 54.29 2g1d s ALA 97 Cb -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2g1d s ALA 97 CO -0.09 -0.48 0.00 0.36 0.00 0.00 0.00 175.76 175.55