#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 -0.38 7.83 2.15 0.39 -4.77 116.67 124.70 2g1d s ASP 2 Ca 0.00 -0.78 -0.17 0.00 0.43 0.00 0.00 52.55 52.03 2g1d s ASP 2 Cb 0.00 -0.54 0.01 0.00 -0.30 0.00 0.00 42.92 42.08 2g1d s ASP 2 CO 0.00 -0.31 0.43 -0.22 -0.17 0.00 0.00 175.17 174.90 2g1d s LEU 3 N 1.90 4.62 -0.34 -1.34 1.98 -1.24 0.15 118.68 124.42 2g1d s LEU 3 Ca -0.00 -0.41 -0.10 0.00 -2.89 0.00 0.00 54.13 50.72 2g1d s LEU 3 Cb -0.17 -2.41 0.01 0.00 0.66 0.00 0.00 46.19 44.28 2g1d s LEU 3 CO -0.08 -0.49 0.17 0.27 -1.89 0.00 0.00 176.35 174.34 2g1d s ILE 4 N 2.16 4.55 -0.04 6.68 -0.00 0.13 -4.91 121.20 129.77 2g1d s ILE 4 Ca 0.13 -0.65 0.01 0.00 -0.00 0.00 0.00 60.65 60.14 2g1d s ILE 4 Cb -0.17 -3.43 -0.03 0.00 -0.00 0.00 0.00 42.46 38.83 2g1d s ILE 4 CO 0.13 -0.08 -0.04 -0.51 -0.00 0.00 0.00 174.94 174.44 2g1d s ILE 5 N 1.58 3.87 -0.67 8.37 1.10 -1.26 -1.63 121.20 132.55 2g1d s ILE 5 Ca 0.03 -0.55 0.05 0.00 -0.51 0.00 0.00 60.65 59.67 2g1d s ILE 5 Cb -0.18 -2.65 0.19 0.00 0.15 0.00 0.00 42.46 39.98 2g1d s ILE 5 CO 0.06 0.50 0.56 1.17 -2.11 0.00 0.00 174.94 175.12 2g1d n LYS 6 N 1.85 1.92 -2.41 3.50 3.00 0.55 -4.98 118.16 121.59 2g1d n LYS 6 Ca -0.17 -4.46 -0.41 0.00 -0.00 0.00 0.00 58.31 53.28 2g1d n LYS 6 Cb 0.53 -2.23 -0.04 0.00 0.00 0.00 0.00 35.03 33.29 2g1d n LYS 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2g1d s GLU 7 N -1.66 4.51 -0.06 1.64 8.01 -1.26 -1.14 118.70 128.73 2g1d s GLU 7 Ca 0.29 1.83 0.01 0.00 0.01 0.00 0.00 54.97 57.11 2g1d s GLU 7 Cb 0.02 -3.26 0.02 0.00 -4.31 0.00 0.00 34.13 26.60 2g1d s GLU 7 CO -0.13 -0.06 -0.05 0.15 0.01 0.00 0.00 175.26 175.18 2g1d s LYS 8 N -0.18 0.96 -0.02 1.61 3.01 -0.31 -4.93 119.74 119.88 2g1d s LYS 8 Ca 0.52 -0.11 0.04 0.00 -1.01 0.00 0.00 55.97 55.41 2g1d s LYS 8 Cb -0.32 -1.02 -0.01 0.00 -1.01 0.00 0.00 37.83 35.48 2g1d s LYS 8 CO 0.36 -0.13 -0.13 -0.98 0.51 0.00 0.00 175.35 174.97 2g1d s ARG 9 N 1.19 1.22 -0.18 1.68 1.70 -1.26 0.11 118.95 123.41 2g1d s ARG 9 Ca -0.06 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 2g1d s ARG 9 Cb -0.14 -1.14 0.04 0.00 -0.57 0.00 0.00 34.95 33.14 2g1d s ARG 9 CO -0.02 0.25 -0.08 -0.51 -1.08 0.00 0.00 175.30 173.86 2g1d s ASP 10 N -0.14 3.03 -0.31 -2.89 1.01 -0.60 -4.92 116.67 111.85 2g1d s ASP 10 Ca 0.02 -0.72 -0.05 0.00 0.71 0.00 0.00 52.55 52.50 2g1d s ASP 10 Cb -0.07 -1.08 0.03 0.00 1.01 0.00 0.00 42.92 42.81 2g1d s ASP 10 CO 0.00 -0.15 0.06 0.54 0.21 0.00 0.00 175.17 175.83 2g1d s ASN 11 N 1.52 5.07 0.00 0.27 4.22 -1.24 -1.84 114.94 122.94 2g1d s ASN 11 Ca 0.01 -0.95 0.00 0.00 -2.14 0.00 0.00 52.86 49.77 2g1d s ASN 11 Cb -0.15 -1.83 0.00 0.00 1.28 0.00 0.00 41.25 40.55 2g1d s ASN 11 CO -0.08 -0.24 0.00 -0.81 -2.04 0.00 0.00 177.10 173.93 2g1d n PRO 12 N 4.80 0.00 -0.05 3.55 -0.04 -1.26 -4.72 135.00 137.27 2g1d n PRO 12 Ca -0.14 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.17 2g1d n PRO 12 Cb 0.46 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.86 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 1.32 -0.36 0.52 3.07 -2.01 -3.33 117.51 116.72 2g1d h ILE 13 Ca 0.00 -1.72 0.00 0.00 1.55 0.00 0.00 64.86 64.69 2g1d h ILE 13 Cb 0.00 1.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 2g1d h ILE 13 CO 0.00 0.54 0.00 0.00 -1.05 0.00 0.00 178.15 177.64 2g1d n LEU 14 N -4.16 4.12 -3.89 0.16 -0.00 -1.26 -5.01 117.00 106.96 2g1d n LEU 14 Ca -0.06 -2.79 -0.30 0.00 -0.00 0.00 0.00 56.01 52.85 2g1d n LEU 14 Cb 0.59 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2g1d n LEU 14 CO 0.48 0.69 -0.18 2.29 -0.00 0.00 0.00 177.39 180.66 2g1d n LYS 15 N -0.01 -2.08 -3.46 1.47 0.00 -1.25 -4.36 118.16 108.47 2g1d n LYS 15 Ca 0.21 0.37 -0.33 0.00 -0.00 0.00 0.00 58.31 58.56 2g1d n LYS 15 Cb 0.87 -4.10 -0.05 0.00 -0.00 0.00 0.00 35.03 31.75 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 -6.50 3.82 0.11 -1.58 3.52 -0.76 -4.08 118.95 113.49 2g1d s ARG 16 Ca 0.23 0.27 0.03 0.00 -0.13 0.00 0.00 55.73 56.12 2g1d s ARG 16 Cb -0.09 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2g1d s ARG 16 CO 0.89 0.43 -0.08 -1.59 -0.81 0.00 0.00 175.30 174.15 2g1d s LYS 17 N -2.38 0.91 -0.18 5.12 0.00 -1.15 -1.56 119.74 120.50 2g1d s LYS 17 Ca 0.41 -1.37 -0.01 0.00 0.00 0.00 0.00 55.97 54.99 2g1d s LYS 17 Cb -0.13 -0.34 0.05 0.00 0.00 0.00 0.00 37.83 37.41 2g1d s LYS 17 CO 0.20 0.01 -0.01 -1.83 0.00 0.00 0.00 175.35 173.72 2g1d s GLU 18 N -3.81 1.08 0.07 1.78 -1.05 0.29 -2.73 118.70 114.34 2g1d s GLU 18 Ca 0.13 -0.51 0.05 0.00 -0.15 0.00 0.00 54.97 54.49 2g1d s GLU 18 Cb 0.04 -2.07 -0.03 0.00 -0.44 0.00 0.00 34.13 31.64 2g1d s GLU 18 CO -0.03 -0.54 -0.14 0.96 0.95 0.00 0.00 175.26 176.46 2g1d s ILE 19 N 1.71 1.11 -0.04 1.83 -0.00 -0.51 -1.16 121.20 124.13 2g1d s ILE 19 Ca -0.01 -1.28 -0.09 0.00 -0.00 0.00 0.00 60.65 59.27 2g1d s ILE 19 Cb -0.16 -1.06 -0.05 0.00 -0.00 0.00 0.00 42.46 41.19 2g1d s ILE 19 CO -0.07 -0.21 0.27 -1.59 -0.00 0.00 0.00 174.94 173.34 2g1d s LYS 20 N -1.69 3.64 0.04 0.37 0.00 -0.29 0.49 119.74 122.29 2g1d s LYS 20 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 55.97 56.02 2g1d s LYS 20 Cb -0.10 -3.16 -0.03 0.00 0.00 0.00 0.00 37.83 34.54 2g1d s LYS 20 CO 0.02 0.71 -0.04 1.52 0.00 0.00 0.00 175.35 177.56 2g1d s TYR 21 N -1.13 0.44 -0.02 1.78 1.13 -1.07 -0.33 117.35 118.15 2g1d s TYR 21 Ca 0.22 -0.72 -0.00 0.00 -1.41 0.00 0.00 57.07 55.16 2g1d s TYR 21 Cb -0.14 -0.30 0.03 0.00 -1.10 0.00 0.00 41.96 40.45 2g1d s TYR 21 CO 0.11 -0.23 0.04 0.08 -2.51 0.00 0.00 175.55 173.04 2g1d s VAL 22 N -2.36 -0.06 -0.19 -3.49 1.01 -0.65 -1.28 120.40 113.39 2g1d s VAL 22 Ca -0.06 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2g1d s VAL 22 Cb -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 2g1d s VAL 22 CO -0.04 0.09 -0.01 -0.22 0.00 0.00 0.00 175.10 174.92 2g1d s LEU 23 N 1.13 3.26 -0.28 3.92 2.96 0.20 0.21 118.68 130.09 2g1d s LEU 23 Ca -0.08 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 2g1d s LEU 23 Cb -0.13 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2g1d s LEU 23 CO -0.03 0.10 0.17 -0.54 -1.32 0.00 0.00 176.35 174.73 2g1d s LYS 24 N 0.79 3.84 -0.12 1.98 1.02 0.39 -1.03 119.74 126.61 2g1d s LYS 24 Ca -0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 2g1d s LYS 24 Cb -0.14 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 2g1d s LYS 24 CO 0.02 -0.21 -0.07 -0.59 -0.92 0.00 0.00 175.35 173.58 2g1d s PHE 25 N 1.73 2.94 -0.06 3.18 -0.71 -1.25 0.15 117.98 123.96 2g1d s PHE 25 Ca 0.07 -0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 55.66 2g1d s PHE 25 Cb -0.16 -1.85 0.03 0.00 -1.21 0.00 0.00 43.02 39.84 2g1d s PHE 25 CO 0.09 0.05 0.14 0.34 -1.34 0.00 0.00 175.22 174.51 2g1d s ASP 26 N -0.05 -0.11 0.00 1.98 2.15 -1.26 -4.76 116.67 114.62 2g1d s ASP 26 Ca 0.00 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.26 2g1d s ASP 26 Cb -0.13 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 2g1d s ASP 26 CO 0.03 -0.12 0.00 -1.54 -0.17 0.00 0.00 175.17 173.37 2g1d n SER 27 N 3.94 -0.37 -1.29 -0.34 3.41 -1.26 -4.78 113.62 112.92 2g1d n SER 27 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2g1d n SER 27 Cb 0.53 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2g1d n SER 27 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2g1d n SER 28 N -0.24 -7.00 -4.60 4.04 7.64 -1.26 -4.63 113.62 107.57 2g1d n SER 28 Ca 0.00 1.40 -0.43 0.00 1.01 0.00 0.00 58.87 60.85 2g1d n SER 28 Cb 0.09 -3.91 -0.02 0.00 -1.01 0.00 0.00 64.21 59.35 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 -4.87 3.38 -0.28 1.43 6.06 -1.26 -4.96 118.95 118.45 2g1d s ARG 29 Ca 0.00 1.18 0.03 0.00 -2.50 0.00 0.00 55.73 54.44 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 6.46 2.11 -0.14 4.11 -1.32 -1.26 -5.10 115.64 120.50 2g1d s THR 30 Ca 0.72 -1.82 -0.21 0.00 -1.21 0.00 0.00 61.69 59.17 2g1d s THR 30 Cb -0.18 -2.35 -0.03 0.00 -1.51 0.00 0.00 72.50 68.42 2g1d s THR 30 CO 0.32 -0.23 0.60 -2.16 -2.21 0.00 0.00 174.62 170.94 2g1d s PRO 31 N 1.08 4.32 0.13 7.08 0.04 -1.26 -4.96 135.00 141.43 2g1d s PRO 31 Ca -0.02 0.64 0.09 0.00 0.04 0.00 0.00 61.00 61.75 2g1d s PRO 31 Cb -0.20 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 2g1d s PRO 31 CO -0.07 -0.03 -0.21 0.45 0.04 0.00 0.00 177.00 177.18 2g1d s SER 32 N 0.91 2.76 -0.07 6.66 0.15 -1.26 -5.06 113.70 117.79 2g1d s SER 32 Ca 0.30 -0.77 -0.27 0.00 0.70 0.00 0.00 55.95 55.92 2g1d s SER 32 Cb -0.16 -0.17 -0.23 0.00 -1.71 0.00 0.00 66.02 63.76 2g1d s SER 32 CO 0.13 0.05 1.05 0.08 1.20 0.00 0.00 173.24 175.74 2g1d h ARG 33 N 3.71 -0.00 0.00 5.44 0.11 -2.00 -3.28 114.38 118.36 2g1d h ARG 33 Ca -0.46 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.59 2g1d h ARG 33 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2g1d h ARG 33 CO 0.44 0.71 -0.12 1.49 0.10 0.00 0.00 179.97 182.59 2g1d h GLU 34 N -0.71 0.08 0.18 0.08 4.81 -1.97 -2.99 114.58 114.06 2g1d h GLU 34 Ca -0.00 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2g1d h GLU 34 Cb 0.71 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2g1d h GLU 34 CO 0.00 0.86 -0.20 0.93 -0.73 0.00 0.00 179.01 179.87 2g1d h GLU 35 N -0.66 -0.41 0.13 1.92 5.08 -1.98 0.31 114.58 118.98 2g1d h GLU 35 Ca -0.02 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2g1d h GLU 35 Cb 0.90 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2g1d h GLU 35 CO 0.02 -0.27 -0.06 0.97 -1.00 0.00 0.00 179.01 178.67 2g1d h ILE 36 N -0.42 0.78 0.21 3.13 2.10 -1.75 -2.49 117.51 119.07 2g1d h ILE 36 Ca 0.01 -1.24 0.01 0.00 1.08 0.00 0.00 64.86 64.71 2g1d h ILE 36 Cb 0.40 1.36 -0.02 0.00 -1.09 0.00 0.00 36.82 37.48 2g1d h ILE 36 CO -0.06 0.22 -0.23 0.50 -1.08 0.00 0.00 178.15 177.50 2g1d h LYS 37 N -0.93 -0.46 0.23 2.19 3.64 -1.60 0.47 116.57 120.12 2g1d h LYS 37 Ca -0.02 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2g1d h LYS 37 Cb 0.50 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2g1d h LYS 37 CO 0.03 -0.31 -0.11 1.05 -2.27 0.00 0.00 179.45 177.84 2g1d h GLU 38 N -0.48 -0.30 -0.44 1.90 4.11 -0.50 0.17 114.58 119.04 2g1d h GLU 38 Ca 0.00 0.02 0.12 0.00 0.07 0.00 0.00 59.36 59.58 2g1d h GLU 38 Cb 0.46 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2g1d h GLU 38 CO -0.07 0.04 0.31 1.25 0.07 0.00 0.00 179.01 180.61 2g1d h LEU 39 N -0.70 0.03 0.06 3.06 6.46 -1.42 0.28 115.31 123.09 2g1d h LEU 39 Ca -0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2g1d h LEU 39 Cb 0.48 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2g1d h LEU 39 CO 0.05 0.02 -0.03 0.16 -0.62 0.00 0.00 178.44 178.02 2g1d h ILE 40 N 0.03 1.06 -0.13 4.05 3.07 0.22 -2.49 117.51 123.32 2g1d h ILE 40 Ca 0.21 -1.56 -0.01 0.00 1.55 0.00 0.00 64.86 65.05 2g1d h ILE 40 Cb 0.79 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 39.24 2g1d h ILE 40 CO -0.01 0.32 0.05 0.00 -1.05 0.00 0.00 178.15 177.47 2g1d h ALA 41 N -0.29 0.17 -0.26 0.16 0.00 -0.29 0.96 119.26 119.71 2g1d h ALA 41 Ca -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2g1d h ALA 41 Cb 0.59 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2g1d h ALA 41 CO 0.01 -0.24 -0.07 0.87 0.00 0.00 0.00 179.25 179.82 2g1d h LYS 42 N 0.06 -0.00 -0.57 0.00 1.57 0.26 0.40 116.57 118.27 2g1d h LYS 42 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2g1d h LYS 42 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2g1d h LYS 42 CO -0.00 -0.00 0.26 0.45 -0.57 0.00 0.00 179.45 179.59 2g1d h HIS 43 N -0.00 0.83 0.00 -1.35 3.86 -1.30 -0.77 115.15 116.42 2g1d h HIS 43 Ca 0.13 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2g1d h HIS 43 Cb 0.20 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2g1d h HIS 43 CO -0.26 0.65 0.31 0.39 0.86 0.00 0.00 177.93 179.88 2g1d n GLU 44 N -4.53 0.05 -0.00 2.45 1.02 0.33 -4.62 120.64 115.33 2g1d n GLU 44 Ca 0.03 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2g1d n GLU 44 Cb 0.13 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 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 1.52 3.61 0.62 0.00 -0.20 -4.70 105.19 104.77 2g1d n GLY 45 Ca -0.00 -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 0.82 1.61 -7.23 0.11 -4.99 120.40 108.73 2g1d s VAL 46 Ca 0.00 -1.16 -0.14 0.00 -1.81 0.00 0.00 61.98 58.87 2g1d s VAL 46 Cb 0.00 -1.98 0.19 0.00 0.56 0.00 0.00 36.38 35.15 2g1d s VAL 46 CO 0.00 -0.05 1.06 0.47 -0.31 0.00 0.00 175.10 176.27 2g1d n ASP 47 N -0.37 -0.16 0.20 4.85 8.00 -1.26 -0.33 116.55 127.47 2g1d n ASP 47 Ca -0.05 -1.35 0.06 0.00 0.71 0.00 0.00 54.79 54.16 2g1d n ASP 47 Cb 0.62 -0.82 0.41 0.00 -0.02 0.00 0.00 41.12 41.30 2g1d n ASP 47 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2g1d h LYS 48 N 0.00 0.00 -0.23 -1.24 3.11 -1.91 -3.07 116.57 113.23 2g1d h LYS 48 Ca -0.35 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.33 2g1d h LYS 48 Cb 0.97 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 2g1d h LYS 48 CO 0.24 0.34 -0.48 0.93 -2.81 0.00 0.00 179.45 177.67 2g1d h GLU 49 N 0.00 0.72 -0.83 1.90 3.07 -1.93 -3.17 114.58 114.34 2g1d h GLU 49 Ca -0.00 -0.48 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2g1d h GLU 49 Cb 0.71 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 2g1d h GLU 49 CO 0.04 1.10 0.00 1.28 -1.40 0.00 0.00 179.01 180.03 2g1d n LEU 50 N -4.14 0.83 -4.52 1.33 4.77 -0.97 -4.74 117.00 109.56 2g1d n LEU 50 Ca -0.05 -0.41 -0.41 0.00 -0.03 0.00 0.00 56.01 55.10 2g1d n LEU 50 Cb 0.58 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 2g1d n LEU 50 CO 0.48 0.21 -0.10 -0.69 -1.33 0.00 0.00 177.39 175.96 2g1d s VAL 51 N -1.00 5.27 -0.26 4.08 1.01 -1.20 -1.16 120.40 127.14 2g1d s VAL 51 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2g1d s VAL 51 Cb 0.00 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.71 2g1d s VAL 51 CO 0.00 -0.06 0.06 0.27 0.00 0.00 0.00 175.10 175.37 2g1d s ILE 52 N 1.75 0.74 -0.18 2.22 -4.36 0.69 -4.92 121.20 117.15 2g1d s ILE 52 Ca 0.07 -1.01 -0.01 0.00 -0.26 0.00 0.00 60.65 59.44 2g1d s ILE 52 Cb -0.18 -1.39 0.05 0.00 1.25 0.00 0.00 42.46 42.19 2g1d s ILE 52 CO 0.11 -0.44 -0.04 0.68 0.24 0.00 0.00 174.94 175.49 2g1d s VAL 53 N 1.72 1.08 0.19 8.37 -7.23 -1.26 -0.49 120.40 122.78 2g1d s VAL 53 Ca 0.04 -0.69 0.09 0.00 -1.81 0.00 0.00 61.98 59.61 2g1d s VAL 53 Cb -0.17 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 2g1d s VAL 53 CO -0.17 0.05 -0.11 -1.81 -0.31 0.00 0.00 175.10 172.75 2g1d s ASP 54 N 1.63 4.15 0.57 4.85 1.11 -1.26 -4.99 116.67 122.73 2g1d s ASP 54 Ca -0.00 -0.63 0.00 0.00 0.18 0.00 0.00 52.55 52.09 2g1d s ASP 54 Cb -0.16 -0.66 0.00 0.00 1.07 0.00 0.00 42.92 43.17 2g1d s ASP 54 CO -0.07 0.10 0.00 -3.20 1.18 0.00 0.00 175.17 173.17 2g1d n ASN 55 N -0.03 -8.90 -3.56 0.27 2.85 -1.26 -4.47 115.26 100.16 2g1d n ASN 55 Ca -0.10 1.46 -0.27 0.00 -0.11 0.00 0.00 54.58 55.56 2g1d n ASN 55 Cb 0.56 -5.12 -0.16 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 -3.99 2.89 -0.36 1.20 4.22 -1.26 -3.96 114.94 113.68 2g1d s ASN 56 Ca 0.00 -0.94 -0.29 0.00 -2.14 0.00 0.00 52.86 49.49 2g1d s ASN 56 Cb 0.00 -0.24 0.01 0.00 1.28 0.00 0.00 41.25 42.30 2g1d s ASN 56 CO 0.00 -0.40 1.24 -1.59 -2.04 0.00 0.00 177.10 174.32 2g1d s LYS 57 N 2.14 3.85 -0.14 3.55 -2.85 0.46 -4.81 119.74 121.94 2g1d s LYS 57 Ca 0.06 1.03 -0.16 0.00 -1.00 0.00 0.00 55.97 55.91 2g1d s LYS 57 Cb -0.16 -3.88 -0.04 0.00 -2.06 0.00 0.00 37.83 31.69 2g1d s LYS 57 CO -0.24 -1.20 0.38 -1.14 0.10 0.00 0.00 175.35 173.25 2g1d s GLN 58 N 4.25 4.29 -0.25 1.78 0.74 -1.24 -2.13 119.66 127.09 2g1d s GLN 58 Ca 0.53 0.27 0.02 0.00 0.05 0.00 0.00 55.36 56.23 2g1d s GLN 58 Cb -0.13 -3.43 0.05 0.00 1.10 0.00 0.00 33.01 30.60 2g1d s GLN 58 CO 0.25 0.21 -0.12 -0.48 -0.55 0.00 0.00 175.29 174.60 2g1d s LEU 59 N 0.51 3.20 1.01 3.68 -0.00 -1.26 -4.95 118.68 120.87 2g1d s LEU 59 Ca 0.21 -1.20 -0.12 0.00 -0.00 0.00 0.00 54.13 53.02 2g1d s LEU 59 Cb -0.14 -1.56 0.19 0.00 -0.00 0.00 0.00 46.19 44.69 2g1d s LEU 59 CO 0.07 -0.15 1.09 0.42 -0.00 0.00 0.00 176.35 177.77 2g1d s THR 60 N 1.17 2.13 0.00 5.48 -4.23 -1.26 -4.64 115.64 114.28 2g1d s THR 60 Ca -0.05 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2g1d s THR 60 Cb -0.18 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2g1d s THR 60 CO -0.06 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 2g1d n GLY 61 N -0.86 1.31 0.00 3.99 0.00 -1.26 -5.00 105.19 103.38 2g1d n GLY 61 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 0.00 1.61 4.81 -1.26 -5.09 118.16 118.23 2g1d n LYS 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2g1d n LYS 62 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -0.38 0.00 -4.30 5.64 8.25 -1.26 -5.17 115.22 118.00 2g1d n HIS 63 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 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 1.20 -0.06 -0.41 2.02 -1.26 -3.89 118.70 116.30 2g1d s GLU 64 Ca 0.00 -1.43 0.02 0.00 0.02 0.00 0.00 54.97 53.57 2g1d s GLU 64 Cb 0.00 -1.06 -0.03 0.00 0.10 0.00 0.00 34.13 33.14 2g1d s GLU 64 CO 0.00 0.19 -0.09 -1.50 0.02 0.00 0.00 175.26 173.88 2g1d s ILE 65 N -2.54 3.54 0.33 -1.63 2.07 -0.20 -4.55 121.20 118.23 2g1d s ILE 65 Ca 0.16 -0.54 0.09 0.00 -1.41 0.00 0.00 60.65 58.96 2g1d s ILE 65 Cb -0.03 -2.43 -0.06 0.00 0.13 0.00 0.00 42.46 40.07 2g1d s ILE 65 CO 0.05 0.60 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.95 2g1d s GLU 66 N -0.79 2.01 0.00 3.50 2.12 -0.91 -0.63 118.70 124.01 2g1d s GLU 66 Ca 0.12 -1.78 0.00 0.00 0.36 0.00 0.00 54.97 53.67 2g1d s GLU 66 Cb -0.11 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.40 2g1d s GLU 66 CO 0.01 0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 2g1d n GLY 67 N -0.90 -0.59 3.19 -1.50 0.00 -0.40 0.17 105.19 105.17 2g1d n GLY 67 Ca -0.04 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.41 2.10 0.02 1.61 2.02 -1.25 -2.61 117.35 115.83 2g1d s TYR 68 Ca 0.00 -0.67 0.03 0.00 -0.37 0.00 0.00 57.07 56.07 2g1d s TYR 68 Cb 0.00 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 2g1d s TYR 68 CO 0.00 -0.23 -0.05 0.95 -1.57 0.00 0.00 175.55 174.65 2g1d s THR 69 N 0.05 3.75 0.04 -0.71 -4.23 0.18 -4.04 115.64 110.69 2g1d s THR 69 Ca -0.07 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2g1d s THR 69 Cb -0.14 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 2g1d s THR 69 CO 0.04 0.35 -0.08 -0.75 -0.54 0.00 0.00 174.62 173.63 2g1d s LYS 70 N -1.57 0.55 0.02 3.99 2.20 0.35 -1.43 119.74 123.84 2g1d s LYS 70 Ca 0.19 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 2g1d s LYS 70 Cb -0.11 -0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 35.84 2g1d s LYS 70 CO 0.09 0.07 -0.05 0.42 -0.36 0.00 0.00 175.35 175.52 2g1d s ILE 71 N -1.26 0.37 -0.21 5.43 1.09 -1.10 -0.22 121.20 125.29 2g1d s ILE 71 Ca -0.08 -0.59 0.02 0.00 -1.10 0.00 0.00 60.65 58.89 2g1d s ILE 71 Cb -0.09 -0.39 0.03 0.00 -1.06 0.00 0.00 42.46 40.95 2g1d s ILE 71 CO 0.01 -0.15 -0.16 -0.72 -0.10 0.00 0.00 174.94 173.81 2g1d s TYR 72 N -0.72 2.97 -0.79 3.97 1.13 -0.31 -2.95 117.35 120.65 2g1d s TYR 72 Ca -0.05 -1.89 0.24 0.00 -1.41 0.00 0.00 57.07 53.97 2g1d s TYR 72 Cb -0.06 -1.93 0.38 0.00 -1.10 0.00 0.00 41.96 39.25 2g1d s TYR 72 CO -0.00 -0.83 1.32 0.00 -2.51 0.00 0.00 175.55 173.53 2g1d n ALA 73 N 4.55 3.24 0.89 9.51 0.00 -1.26 -2.30 120.51 135.15 2g1d n ALA 73 Ca -0.18 -0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.06 2g1d n ALA 73 Cb 0.47 -1.13 0.52 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.83 0.00 0.21 0.00 2.03 -1.26 -3.79 116.55 111.90 2g1d n ASP 74 Ca 0.04 0.34 -0.14 0.00 0.52 0.00 0.00 54.79 55.55 2g1d n ASP 74 Cb 0.40 -0.44 -0.08 0.00 -0.72 0.00 0.00 41.12 40.28 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 -0.51 -0.35 -0.67 1.63 -1.88 -2.11 116.57 112.68 2g1d h LYS 75 Ca 0.00 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 2g1d h LYS 75 Cb 0.35 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 2g1d h LYS 75 CO 0.00 -0.21 0.12 -1.00 -3.45 0.00 0.00 179.45 174.91 2g1d h PRO 76 N -0.79 0.54 -0.55 1.90 0.13 -1.86 0.24 132.00 131.61 2g1d h PRO 76 Ca -0.05 -0.11 0.06 0.00 -0.87 0.00 0.00 66.00 65.03 2g1d h PRO 76 Cb 0.53 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.52 2g1d h PRO 76 CO 0.09 0.55 0.25 0.77 -0.23 0.00 0.00 178.00 179.43 2g1d h SER 77 N 0.42 0.32 0.08 1.44 0.02 -1.68 0.90 113.55 115.04 2g1d h SER 77 Ca 0.11 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2g1d h SER 77 Cb 0.23 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2g1d h SER 77 CO -0.01 0.21 -0.04 0.00 -1.14 0.00 0.00 176.83 175.86 2g1d h ALA 78 N 1.33 -0.11 0.00 3.77 0.00 -1.24 -2.16 119.26 120.85 2g1d h ALA 78 Ca 0.26 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2g1d h ALA 78 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2g1d h ALA 78 CO -0.21 -0.25 -0.18 1.98 0.00 0.00 0.00 179.25 180.58 2g1d h MET 79 N -0.73 0.00 0.12 0.00 -1.53 -0.36 0.41 114.93 112.84 2g1d h MET 79 Ca -0.01 0.00 -0.28 0.00 -3.44 0.00 0.00 59.70 55.97 2g1d h MET 79 Cb 0.57 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.64 2g1d h MET 79 CO 0.02 0.18 -1.22 1.25 0.14 0.00 0.00 176.91 177.28 2g1d h LEU 80 N 0.00 0.67 -2.30 3.39 6.46 0.78 -3.33 115.31 120.99 2g1d h LEU 80 Ca -0.00 -0.64 0.00 0.00 -0.12 0.00 0.00 57.88 57.11 2g1d h LEU 80 Cb 0.34 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 2g1d h LEU 80 CO 0.02 1.47 0.00 0.00 -0.62 0.00 0.00 178.44 179.32 2g1d n TYR 81 N -3.69 0.44 0.00 1.25 9.36 -0.81 -0.84 117.16 122.87 2g1d n TYR 81 Ca -0.11 -0.24 0.00 0.00 3.32 0.00 0.00 57.90 60.87 2g1d n TYR 81 Cb 0.99 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.70 2g1d n TYR 81 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2g1d n GLU 82 N 1.40 0.00 0.00 2.98 1.02 0.14 -4.39 120.64 121.79 2g1d n GLU 82 Ca 0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.26 2g1d n GLU 82 Cb 0.58 -0.19 -0.12 0.00 -0.02 0.00 0.00 31.44 31.69 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 0.00 0.00 0.00 3.49 0.13 -1.81 -3.37 132.00 130.44 2g1d h PRO 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2g1d h PRO 83 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2g1d h PRO 83 CO 0.00 0.48 -1.25 -0.40 -0.23 0.00 0.00 178.00 176.59 2g1d n ASP 84 N -3.03 0.76 -0.96 1.44 5.75 -1.26 -5.10 116.55 114.16 2g1d n ASP 84 Ca -0.13 -0.60 0.12 0.00 -0.01 0.00 0.00 54.79 54.16 2g1d n ASP 84 Cb 0.98 1.32 -0.03 0.00 -1.03 0.00 0.00 41.12 42.36 2g1d n ASP 84 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2g1d n TYR 85 N -1.71 -2.28 -1.77 2.11 4.02 -0.02 -4.94 117.16 112.56 2g1d n TYR 85 Ca 0.01 1.15 0.00 0.00 -0.01 0.00 0.00 57.90 59.05 2g1d n TYR 85 Cb 0.37 -2.07 0.00 0.00 -0.02 0.00 0.00 39.34 37.62 2g1d n TYR 85 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2g1d n GLU 86 N -3.00 -2.11 0.03 -0.72 2.13 -1.21 -4.57 120.64 111.19 2g1d n GLU 86 Ca -0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.74 2g1d n GLU 86 Cb 0.61 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.19 2g1d n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2g1d h LEU 87 N 0.00 0.00 0.00 4.31 3.38 -1.97 -3.48 115.31 117.55 2g1d h LEU 87 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2g1d h LEU 87 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2g1d h LEU 87 CO 0.00 0.98 0.00 0.00 0.09 0.00 0.00 178.44 179.51 2g1d n ILE 88 N -3.22 0.00 -1.75 1.22 0.13 -1.26 -4.92 119.36 109.56 2g1d n ILE 88 Ca -0.06 0.00 0.01 0.00 -1.10 0.00 0.00 62.75 61.59 2g1d n ILE 88 Cb 0.98 -0.14 0.16 0.00 -0.84 0.00 0.00 39.64 39.80 2g1d n ILE 88 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2g1d n ARG 89 N -2.93 1.82 -0.07 9.51 3.00 -1.26 -4.68 116.66 122.05 2g1d n ARG 89 Ca 0.00 -3.36 -0.13 0.00 -0.01 0.00 0.00 57.85 54.35 2g1d n ARG 89 Cb 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 32.46 30.70 2g1d n ARG 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2g1d n ASN 90 N -0.93 0.98 -4.72 0.55 4.05 -1.26 -4.92 115.26 109.01 2g1d n ASN 90 Ca 0.22 0.13 -0.42 0.00 0.45 0.00 0.00 54.58 54.96 2g1d n ASN 90 Cb 0.77 0.12 -0.03 0.00 1.23 0.00 0.00 39.78 41.87 2g1d n ASN 90 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2g1d s GLY 91 N -5.59 2.59 -0.05 8.20 0.00 -1.26 -5.03 107.32 106.18 2g1d s GLY 91 Ca -0.15 0.78 -0.09 0.00 0.00 0.00 0.00 44.72 45.26 2g1d s GLY 91 CO 0.78 1.90 0.21 0.48 0.00 0.00 0.00 173.10 176.47 2g1d s LEU 92 N 0.80 1.21 -0.34 0.66 2.34 -1.26 -5.07 118.68 117.02 2g1d s LEU 92 Ca 0.56 0.20 0.16 0.00 0.06 0.00 0.00 54.13 55.10 2g1d s LEU 92 Cb -0.28 0.83 0.45 0.00 -0.56 0.00 0.00 46.19 46.63 2g1d s LEU 92 CO 0.30 -0.23 1.04 0.29 -1.06 0.00 0.00 176.35 176.69 2g1d n LYS 93 N 2.22 1.16 0.01 1.48 5.02 -1.26 -5.00 118.16 121.79 2g1d n LYS 93 Ca -0.17 -2.94 -0.01 0.00 -2.02 0.00 0.00 58.31 53.17 2g1d n LYS 93 Cb 0.57 -0.98 -0.01 0.00 -0.02 0.00 0.00 35.03 34.59 2g1d n LYS 93 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2g1d h GLN 94 N 2.77 -0.06 -0.06 1.97 1.08 -2.00 -3.44 115.11 115.37 2g1d h GLN 94 Ca -0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2g1d h GLN 94 Cb 1.21 0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 28.51 2g1d h GLN 94 CO 0.37 -0.04 -0.05 1.17 -0.95 0.00 0.00 178.83 179.33 2g1d n LYS 95 N -2.72 0.05 -2.24 1.46 0.00 -1.26 -4.95 118.16 108.50 2g1d n LYS 95 Ca -0.01 -0.62 -0.07 0.00 0.00 0.00 0.00 58.31 57.61 2g1d n LYS 95 Cb 0.03 0.18 -0.01 0.00 0.00 0.00 0.00 35.03 35.23 2g1d n LYS 95 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2g1d n GLU 96 N 2.19 -2.32 -1.33 1.64 0.28 -1.26 -4.52 120.64 115.33 2g1d n GLU 96 Ca 0.07 0.35 0.16 0.00 -0.16 0.00 0.00 57.16 57.58 2g1d n GLU 96 Cb 0.68 -4.82 -0.06 0.00 1.43 0.00 0.00 31.44 28.66 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 -1.96 -3.55 -0.45 -1.84 0.00 -1.26 -5.24 120.51 106.20 2g1d n ALA 97 Ca -0.08 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2g1d n ALA 97 Cb 0.50 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2g1d n ALA 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13