#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 1.03 -0.23 7.83 1.01 0.33 -4.78 116.67 121.86 2g1d s ASP 2 Ca 0.00 -0.46 -0.00 0.00 0.71 0.00 0.00 52.55 52.80 2g1d s ASP 2 Cb 0.00 -0.02 0.03 0.00 1.01 0.00 0.00 42.92 43.94 2g1d s ASP 2 CO 0.00 -0.10 -0.10 -0.22 0.21 0.00 0.00 175.17 174.96 2g1d s LEU 3 N -1.25 2.99 -0.36 1.23 1.98 -1.25 0.11 118.68 122.13 2g1d s LEU 3 Ca -0.05 -0.90 -0.09 0.00 -2.89 0.00 0.00 54.13 50.21 2g1d s LEU 3 Cb -0.08 -1.61 0.04 0.00 0.66 0.00 0.00 46.19 45.20 2g1d s LEU 3 CO 0.01 -0.11 0.17 -0.63 -1.89 0.00 0.00 176.35 173.90 2g1d s ILE 4 N 1.28 4.19 0.01 6.68 -1.09 0.12 -4.92 121.20 127.48 2g1d s ILE 4 Ca -0.00 -1.04 0.04 0.00 -2.23 0.00 0.00 60.65 57.42 2g1d s ILE 4 Cb -0.16 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2g1d s ILE 4 CO -0.06 -0.24 -0.11 0.27 -1.23 0.00 0.00 174.94 173.57 2g1d s ILE 5 N 1.47 3.35 -0.49 2.92 -5.25 -1.26 -0.72 121.20 121.22 2g1d s ILE 5 Ca 0.00 -0.89 0.07 0.00 -0.99 0.00 0.00 60.65 58.84 2g1d s ILE 5 Cb -0.20 -2.43 0.37 0.00 2.95 0.00 0.00 42.46 43.15 2g1d s ILE 5 CO 0.05 0.39 0.95 1.17 -1.79 0.00 0.00 174.94 175.70 2g1d n LYS 6 N 1.61 2.70 -1.80 0.37 4.81 0.87 -4.98 118.16 121.74 2g1d n LYS 6 Ca -0.16 -4.38 -0.41 0.00 -0.87 0.00 0.00 58.31 52.49 2g1d n LYS 6 Cb 0.52 -2.06 -0.02 0.00 0.02 0.00 0.00 35.03 33.50 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 -3.27 4.13 -0.01 1.64 8.01 -1.26 -2.58 118.70 125.36 2g1d s GLU 7 Ca 0.45 2.55 0.01 0.00 0.01 0.00 0.00 54.97 58.00 2g1d s GLU 7 Cb 0.34 -3.03 0.01 0.00 -4.31 0.00 0.00 34.13 27.14 2g1d s GLU 7 CO -0.13 -0.61 -0.03 0.15 0.01 0.00 0.00 175.26 174.66 2g1d s LYS 8 N -0.60 0.37 -0.03 1.61 1.02 -0.20 -4.91 119.74 116.99 2g1d s LYS 8 Ca 0.62 -0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.57 2g1d s LYS 8 Cb -0.47 -0.41 -0.00 0.00 -0.52 0.00 0.00 37.83 36.42 2g1d s LYS 8 CO 0.49 0.01 -0.13 -0.98 -0.92 0.00 0.00 175.35 173.81 2g1d s ARG 9 N 0.33 1.30 -0.17 1.68 1.70 -1.26 0.68 118.95 123.20 2g1d s ARG 9 Ca -0.03 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 2g1d s ARG 9 Cb -0.06 -1.18 0.04 0.00 -0.57 0.00 0.00 34.95 33.18 2g1d s ARG 9 CO -0.01 0.19 -0.09 0.34 -1.08 0.00 0.00 175.30 174.66 2g1d s ASP 10 N 0.05 3.00 -0.30 -2.89 2.15 -0.78 -4.90 116.67 113.00 2g1d s ASP 10 Ca -0.02 -0.71 -0.05 0.00 0.43 0.00 0.00 52.55 52.21 2g1d s ASP 10 Cb -0.09 -1.07 0.03 0.00 -0.30 0.00 0.00 42.92 41.49 2g1d s ASP 10 CO 0.01 -0.15 0.04 0.54 -0.17 0.00 0.00 175.17 175.45 2g1d s ASN 11 N 1.52 4.98 0.00 -0.34 2.20 -1.25 -1.69 114.94 120.37 2g1d s ASN 11 Ca 0.01 -0.99 0.00 0.00 -0.94 0.00 0.00 52.86 50.94 2g1d s ASN 11 Cb -0.15 -1.80 0.00 0.00 -2.00 0.00 0.00 41.25 37.30 2g1d s ASN 11 CO -0.08 -0.24 0.00 -0.81 -2.94 0.00 0.00 177.10 173.03 2g1d n PRO 12 N 4.76 0.00 -0.05 3.55 -0.04 -1.26 -4.72 135.00 137.24 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 -0.07 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.75 0.00 0.00 1.55 0.00 0.00 64.86 64.66 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 0.55 0.00 0.00 -1.05 0.00 0.00 178.15 177.65 2g1d n LEU 14 N -4.15 4.10 -3.88 0.16 -0.00 -1.26 -5.01 117.00 106.96 2g1d n LEU 14 Ca -0.06 -2.78 -0.30 0.00 -0.00 0.00 0.00 56.01 52.86 2g1d n LEU 14 Cb 0.60 -0.52 0.01 0.00 -0.00 0.00 0.00 43.42 43.51 2g1d n LEU 14 CO 0.48 0.69 -0.17 2.29 -0.00 0.00 0.00 177.39 180.68 2g1d n LYS 15 N -0.00 -2.06 -3.49 1.47 0.00 -1.25 -4.28 118.16 108.54 2g1d n LYS 15 Ca 0.21 0.37 -0.38 0.00 -0.00 0.00 0.00 58.31 58.52 2g1d n LYS 15 Cb 0.86 -4.10 -0.06 0.00 -0.00 0.00 0.00 35.03 31.73 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 -6.47 4.04 0.24 -1.58 3.52 -0.68 -3.52 118.95 114.51 2g1d s ARG 16 Ca 0.24 0.33 0.11 0.00 -0.13 0.00 0.00 55.73 56.28 2g1d s ARG 16 Cb -0.10 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 2g1d s ARG 16 CO 0.89 0.50 -0.12 -1.59 -0.81 0.00 0.00 175.30 174.17 2g1d s LYS 17 N -0.43 1.92 -0.23 5.12 0.00 -1.14 -1.86 119.74 123.12 2g1d s LYS 17 Ca 0.22 -1.53 -0.01 0.00 0.00 0.00 0.00 55.97 54.65 2g1d s LYS 17 Cb -0.15 -1.98 0.06 0.00 0.00 0.00 0.00 37.83 35.76 2g1d s LYS 17 CO 0.10 0.37 0.00 -1.21 0.00 0.00 0.00 175.35 174.62 2g1d s GLU 18 N -3.32 1.08 0.06 1.78 2.02 0.21 -2.97 118.70 117.56 2g1d s GLU 18 Ca 0.28 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.56 2g1d s GLU 18 Cb -0.07 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2g1d s GLU 18 CO 0.16 -0.66 -0.13 0.96 0.02 0.00 0.00 175.26 175.61 2g1d s ILE 19 N 1.62 0.99 -0.11 -1.63 -0.00 -0.98 -1.04 121.20 120.06 2g1d s ILE 19 Ca -0.02 -1.17 -0.12 0.00 -0.00 0.00 0.00 60.65 59.35 2g1d s ILE 19 Cb -0.18 -0.95 -0.05 0.00 -0.00 0.00 0.00 42.46 41.28 2g1d s ILE 19 CO -0.09 -0.19 0.27 -1.59 -0.00 0.00 0.00 174.94 173.33 2g1d s LYS 20 N -1.53 3.91 0.02 0.37 0.00 -1.07 0.27 119.74 121.71 2g1d s LYS 20 Ca -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 55.97 56.03 2g1d s LYS 20 Cb -0.09 -3.30 -0.02 0.00 0.00 0.00 0.00 37.83 34.42 2g1d s LYS 20 CO 0.02 0.53 -0.03 1.52 0.00 0.00 0.00 175.35 177.39 2g1d s TYR 21 N -0.43 0.28 -0.05 1.78 1.13 -1.01 -0.09 117.35 118.97 2g1d s TYR 21 Ca 0.17 -0.56 0.02 0.00 -1.41 0.00 0.00 57.07 55.29 2g1d s TYR 21 Cb -0.14 -0.21 0.02 0.00 -1.10 0.00 0.00 41.96 40.53 2g1d s TYR 21 CO 0.06 -0.20 -0.07 0.54 -2.51 0.00 0.00 175.55 173.37 2g1d s VAL 22 N -1.62 0.75 -0.18 -3.49 0.11 0.10 -1.36 120.40 114.71 2g1d s VAL 22 Ca -0.14 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.60 2g1d s VAL 22 Cb -0.09 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 2g1d s VAL 22 CO -0.02 0.26 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.78 2g1d s LEU 23 N 0.71 3.29 -0.28 2.54 2.96 0.90 0.15 118.68 128.96 2g1d s LEU 23 Ca -0.11 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.54 2g1d s LEU 23 Cb -0.14 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2g1d s LEU 23 CO 0.01 0.13 0.19 -0.54 -1.32 0.00 0.00 176.35 174.82 2g1d s LYS 24 N 0.63 3.94 -0.10 1.98 1.02 0.30 -1.29 119.74 126.21 2g1d s LYS 24 Ca -0.01 -0.33 0.01 0.00 0.02 0.00 0.00 55.97 55.66 2g1d s LYS 24 Cb -0.14 -3.65 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2g1d s LYS 24 CO 0.02 -0.18 -0.12 -0.59 -0.92 0.00 0.00 175.35 173.56 2g1d s PHE 25 N 1.76 2.81 -0.00 3.18 -0.12 -1.25 0.12 117.98 124.48 2g1d s PHE 25 Ca 0.07 -0.39 -0.24 0.00 -0.05 0.00 0.00 56.93 56.32 2g1d s PHE 25 Cb -0.16 -1.78 -0.05 0.00 -0.63 0.00 0.00 43.02 40.40 2g1d s PHE 25 CO 0.11 -0.02 0.72 0.16 -0.05 0.00 0.00 175.22 176.14 2g1d s ASP 26 N -0.09 7.10 1.10 1.98 -4.77 -1.26 -4.78 116.67 115.95 2g1d s ASP 26 Ca -0.01 1.32 -0.13 0.00 -3.30 0.00 0.00 52.55 50.43 2g1d s ASP 26 Cb -0.14 -2.44 0.21 0.00 -1.09 0.00 0.00 42.92 39.47 2g1d s ASP 26 CO 0.03 -0.02 0.83 -0.24 0.70 0.00 0.00 175.17 176.47 2g1d n SER 27 N 3.16 -1.44 -1.79 2.11 2.88 -1.26 -2.90 113.62 114.38 2g1d n SER 27 Ca -0.02 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.36 2g1d n SER 27 Cb 0.51 -1.25 -0.05 0.00 -0.75 0.00 0.00 64.21 62.67 2g1d n SER 27 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2g1d n SER 28 N -4.00 -4.35 -4.39 -3.46 2.88 -1.26 -4.94 113.62 94.10 2g1d n SER 28 Ca 0.05 0.29 -0.24 0.00 -1.33 0.00 0.00 58.87 57.64 2g1d n SER 28 Cb 0.55 -3.85 -0.11 0.00 -0.75 0.00 0.00 64.21 60.04 2g1d n SER 28 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2g1d s ARG 29 N -3.92 1.43 -0.22 -1.46 3.00 -1.14 -5.13 118.95 111.51 2g1d s ARG 29 Ca 0.00 -1.50 -0.08 0.00 -1.00 0.00 0.00 55.73 53.15 2g1d s ARG 29 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 34.95 33.31 2g1d s ARG 29 CO 0.00 0.33 0.08 -0.08 0.00 0.00 0.00 175.30 175.63 2g1d s THR 30 N -1.95 4.69 0.40 4.11 -1.32 -1.26 -5.00 115.64 115.30 2g1d s THR 30 Ca 0.20 -0.06 -0.26 0.00 -1.21 0.00 0.00 61.69 60.36 2g1d s THR 30 Cb -0.06 -3.15 -0.11 0.00 -1.51 0.00 0.00 72.50 67.67 2g1d s THR 30 CO 0.09 0.39 1.23 -0.81 -2.21 0.00 0.00 174.62 173.32 2g1d n PRO 31 N 4.18 1.88 -4.17 7.08 -0.04 -1.26 -5.01 135.00 137.66 2g1d n PRO 31 Ca -0.16 0.67 -0.28 0.00 -0.04 0.00 0.00 63.50 63.69 2g1d n PRO 31 Cb 0.52 -2.31 -0.08 0.00 -0.04 0.00 0.00 33.50 31.60 2g1d n PRO 31 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2g1d s SER 32 N -0.51 4.88 -0.02 3.54 0.15 -1.26 -5.04 113.70 115.44 2g1d s SER 32 Ca 0.60 -0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.70 2g1d s SER 32 Cb -0.54 -1.09 -0.21 0.00 -1.71 0.00 0.00 66.02 62.48 2g1d s SER 32 CO 0.59 0.12 1.15 0.08 1.20 0.00 0.00 173.24 176.38 2g1d h ARG 33 N 2.93 0.18 -0.01 5.44 -0.00 -1.99 -2.56 114.38 118.37 2g1d h ARG 33 Ca -0.47 -0.14 -0.03 0.00 -0.00 0.00 0.00 59.98 59.34 2g1d h ARG 33 Cb 1.19 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 2g1d h ARG 33 CO 0.58 0.78 -0.10 0.93 -0.00 0.00 0.00 179.97 182.17 2g1d h GLU 34 N -0.39 0.09 -0.06 0.08 3.07 -1.96 -2.44 114.58 112.97 2g1d h GLU 34 Ca -0.01 -0.08 0.02 0.00 -0.50 0.00 0.00 59.36 58.79 2g1d h GLU 34 Cb 0.81 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 2g1d h GLU 34 CO 0.03 0.78 -0.06 1.49 -1.40 0.00 0.00 179.01 179.86 2g1d h GLU 35 N -0.59 -0.08 0.28 2.33 4.57 -1.97 1.00 114.58 120.13 2g1d h GLU 35 Ca -0.01 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2g1d h GLU 35 Cb 0.81 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2g1d h GLU 35 CO 0.02 -0.05 -0.13 0.97 -1.18 0.00 0.00 179.01 178.64 2g1d h ILE 36 N -0.08 0.75 0.26 2.32 -0.00 -1.58 -2.11 117.51 117.06 2g1d h ILE 36 Ca 0.05 -0.62 -0.01 0.00 -0.00 0.00 0.00 64.86 64.27 2g1d h ILE 36 Cb 0.14 1.08 0.00 0.00 -0.00 0.00 0.00 36.82 38.04 2g1d h ILE 36 CO -0.11 0.12 -0.12 0.11 -0.00 0.00 0.00 178.15 178.15 2g1d h LYS 37 N -0.72 -0.33 0.27 2.19 1.57 -1.41 -2.01 116.57 116.13 2g1d h LYS 37 Ca -0.04 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2g1d h LYS 37 Cb 0.49 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2g1d h LYS 37 CO 0.06 0.03 -0.13 0.93 -0.57 0.00 0.00 179.45 179.77 2g1d h GLU 38 N -0.82 -0.34 -0.69 3.15 5.08 0.91 0.23 114.58 122.09 2g1d h GLU 38 Ca -0.04 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.52 2g1d h GLU 38 Cb 0.51 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2g1d h GLU 38 CO 0.06 -0.14 0.48 1.25 -1.00 0.00 0.00 179.01 179.66 2g1d h LEU 39 N -0.49 0.19 0.05 1.33 6.46 -1.30 0.47 115.31 122.02 2g1d h LEU 39 Ca -0.04 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2g1d h LEU 39 Cb 0.36 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 2g1d h LEU 39 CO 0.06 0.09 -0.03 0.16 -0.62 0.00 0.00 178.44 178.11 2g1d h ILE 40 N 0.20 1.16 -0.06 4.05 3.07 -0.76 -2.88 117.51 122.29 2g1d h ILE 40 Ca 0.34 -1.60 -0.00 0.00 1.55 0.00 0.00 64.86 65.14 2g1d h ILE 40 Cb 1.04 2.08 -0.00 0.00 -0.27 0.00 0.00 36.82 39.67 2g1d h ILE 40 CO -0.06 0.35 0.02 0.00 -1.05 0.00 0.00 178.15 177.41 2g1d h ALA 41 N -0.20 0.08 -0.17 0.16 0.00 0.03 0.78 119.26 119.93 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 0.63 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2g1d h ALA 41 CO 0.01 -0.34 -0.13 0.87 0.00 0.00 0.00 179.25 179.66 2g1d h LYS 42 N -0.06 -0.14 -0.47 0.00 1.57 0.20 0.39 116.57 118.05 2g1d h LYS 42 Ca 0.02 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2g1d h LYS 42 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2g1d h LYS 42 CO -0.00 -0.09 0.20 0.45 -0.57 0.00 0.00 179.45 179.44 2g1d h HIS 43 N -0.14 0.70 0.00 -1.35 3.86 -1.46 -1.55 115.15 115.22 2g1d h HIS 43 Ca 0.11 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2g1d h HIS 43 Cb 0.30 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2g1d h HIS 43 CO -0.28 0.58 0.67 0.93 0.86 0.00 0.00 177.93 180.70 2g1d h GLU 44 N 0.61 0.00 0.00 2.45 5.08 0.29 -3.42 114.58 119.59 2g1d h GLU 44 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2g1d h GLU 44 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2g1d h GLU 44 CO -0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.40 2g1d n GLY 45 N -1.33 1.67 3.60 -3.84 0.00 -0.39 -4.65 105.19 100.24 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 0.82 1.61 -7.23 0.11 -5.00 120.40 108.72 2g1d s VAL 46 Ca 0.00 -1.23 -0.13 0.00 -1.81 0.00 0.00 61.98 58.80 2g1d s VAL 46 Cb 0.00 -2.04 0.19 0.00 0.56 0.00 0.00 36.38 35.09 2g1d s VAL 46 CO 0.00 -0.04 1.11 0.47 -0.31 0.00 0.00 175.10 176.33 2g1d n ASP 47 N -0.37 0.17 0.21 4.85 8.00 -1.26 -0.83 116.55 127.31 2g1d n ASP 47 Ca -0.04 -1.45 0.07 0.00 0.71 0.00 0.00 54.79 54.08 2g1d n ASP 47 Cb 0.62 -0.84 0.47 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.14 -1.24 -0.00 -1.92 -3.03 116.57 110.24 2g1d h LYS 48 Ca -0.36 0.00 -0.19 0.00 -0.00 0.00 0.00 60.65 60.10 2g1d h LYS 48 Cb 1.01 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.25 2g1d h LYS 48 CO 0.26 0.29 -0.65 0.93 -0.00 0.00 0.00 179.45 180.28 2g1d h GLU 49 N 0.00 0.68 -0.78 0.07 4.39 -1.93 -3.22 114.58 113.79 2g1d h GLU 49 Ca -0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 2g1d h GLU 49 Cb 0.65 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2g1d h GLU 49 CO 0.04 1.17 0.00 1.28 -1.16 0.00 0.00 179.01 180.33 2g1d n LEU 50 N -4.07 0.78 -4.52 1.33 4.77 -1.02 -4.73 117.00 109.55 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 0.68 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2g1d n LEU 50 CO 0.50 0.20 -0.08 -0.69 -1.33 0.00 0.00 177.39 175.99 2g1d s VAL 51 N -1.01 5.25 -0.25 4.08 1.01 -1.22 -0.94 120.40 127.33 2g1d s VAL 51 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2g1d s VAL 51 Cb 0.00 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.67 2g1d s VAL 51 CO 0.00 -0.10 0.06 0.27 0.00 0.00 0.00 175.10 175.33 2g1d s ILE 52 N 1.78 0.64 -0.14 2.22 -4.36 -0.31 -4.92 121.20 116.11 2g1d s ILE 52 Ca 0.07 -0.92 -0.02 0.00 -0.26 0.00 0.00 60.65 59.52 2g1d s ILE 52 Cb -0.18 -1.30 0.05 0.00 1.25 0.00 0.00 42.46 42.28 2g1d s ILE 52 CO 0.11 -0.43 0.01 0.68 0.24 0.00 0.00 174.94 175.55 2g1d s VAL 53 N 1.77 0.51 0.21 8.37 -7.23 -1.26 -1.31 120.40 121.47 2g1d s VAL 53 Ca 0.04 -0.29 0.10 0.00 -1.81 0.00 0.00 61.98 60.01 2g1d s VAL 53 Cb -0.17 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 2g1d s VAL 53 CO -0.17 0.01 -0.11 -1.81 -0.31 0.00 0.00 175.10 172.71 2g1d s ASP 54 N 1.89 4.14 0.18 4.85 1.01 -1.26 -4.95 116.67 122.52 2g1d s ASP 54 Ca 0.02 -0.67 0.00 0.00 0.71 0.00 0.00 52.55 52.61 2g1d s ASP 54 Cb -0.15 -0.64 0.00 0.00 1.01 0.00 0.00 42.92 43.14 2g1d s ASP 54 CO -0.07 0.08 0.00 -3.20 0.21 0.00 0.00 175.17 172.19 2g1d n ASN 55 N -0.17 0.00 -0.54 0.27 2.85 -1.26 -4.82 115.26 111.59 2g1d n ASN 55 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2g1d n ASN 55 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 2g1d n ASN 55 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2g1d n ASN 56 N 5.89 -1.06 -4.62 1.20 3.02 -1.26 -4.97 115.26 113.45 2g1d n ASN 56 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 2g1d n ASN 56 Cb 0.00 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.62 2g1d n ASN 56 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2g1d s LYS 57 N -1.50 3.88 -0.04 3.52 -2.85 0.47 -4.78 119.74 118.44 2g1d s LYS 57 Ca 0.00 1.10 -0.21 0.00 -1.00 0.00 0.00 55.97 55.86 2g1d s LYS 57 Cb 0.00 -3.87 -0.05 0.00 -2.06 0.00 0.00 37.83 31.85 2g1d s LYS 57 CO 0.00 -1.16 0.61 -1.14 0.10 0.00 0.00 175.35 173.75 2g1d s GLN 58 N 4.20 4.36 -0.25 1.78 0.74 -1.22 -2.86 119.66 126.41 2g1d s GLN 58 Ca 0.54 0.73 0.02 0.00 0.05 0.00 0.00 55.36 56.70 2g1d s GLN 58 Cb -0.14 -3.39 0.05 0.00 1.10 0.00 0.00 33.01 30.62 2g1d s GLN 58 CO 0.24 0.24 -0.11 -0.48 -0.55 0.00 0.00 175.29 174.63 2g1d s LEU 59 N 0.26 3.23 1.25 3.68 -0.00 -1.26 -4.97 118.68 120.86 2g1d s LEU 59 Ca 0.32 -1.20 -0.15 0.00 -0.00 0.00 0.00 54.13 53.10 2g1d s LEU 59 Cb -0.18 -1.57 0.31 0.00 -0.00 0.00 0.00 46.19 44.76 2g1d s LEU 59 CO 0.16 -0.16 1.00 0.42 -0.00 0.00 0.00 176.35 177.77 2g1d s THR 60 N 1.17 1.79 0.00 5.48 -4.23 -1.26 -4.31 115.64 114.28 2g1d s THR 60 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2g1d s THR 60 Cb -0.18 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.60 2g1d s THR 60 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2g1d n GLY 61 N 0.99 2.81 0.00 3.99 0.00 -1.26 -5.04 105.19 106.67 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 0.28 0.00 0.00 0.00 173.32 173.60 2g1d n LYS 62 N -0.93 0.86 -1.50 1.61 4.76 -1.26 -5.08 118.16 116.62 2g1d n LYS 62 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 2g1d n LYS 62 Cb 0.00 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 33.28 2g1d n LYS 62 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2g1d n HIS 63 N 0.00 0.70 -4.30 2.13 8.25 -1.26 -5.06 115.22 115.69 2g1d n HIS 63 Ca 0.00 -1.43 -0.18 0.00 -0.26 0.00 0.00 57.72 55.85 2g1d n HIS 63 Cb 0.00 -0.23 -0.11 0.00 1.12 0.00 0.00 29.99 30.77 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 -2.40 1.19 -0.11 -0.41 8.01 -1.26 -3.92 118.70 119.79 2g1d s GLU 64 Ca 0.37 -1.42 -0.00 0.00 0.01 0.00 0.00 54.97 53.93 2g1d s GLU 64 Cb 0.38 -1.03 -0.02 0.00 -4.31 0.00 0.00 34.13 29.14 2g1d s GLU 64 CO -0.08 0.18 -0.09 -1.50 0.01 0.00 0.00 175.26 173.79 2g1d s ILE 65 N -2.56 3.48 0.35 -1.63 2.07 -0.41 -4.66 121.20 117.83 2g1d s ILE 65 Ca 0.16 -0.53 0.09 0.00 -1.41 0.00 0.00 60.65 58.96 2g1d s ILE 65 Cb -0.03 -2.46 -0.06 0.00 0.13 0.00 0.00 42.46 40.05 2g1d s ILE 65 CO 0.05 0.54 0.00 -0.70 -1.91 0.00 0.00 174.94 172.93 2g1d s GLU 66 N -0.09 2.04 0.00 3.50 2.12 -1.14 -0.07 118.70 125.06 2g1d s GLU 66 Ca 0.00 -1.80 0.00 0.00 0.36 0.00 0.00 54.97 53.53 2g1d s GLU 66 Cb -0.13 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.37 2g1d s GLU 66 CO 0.03 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 2g1d n GLY 67 N -0.94 -0.59 3.17 -1.50 0.00 -0.47 0.18 105.19 105.03 2g1d n GLY 67 Ca -0.04 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 2g1d n GLY 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2g1d s TYR 68 N -3.81 2.04 -0.05 1.61 5.04 -1.26 -2.40 117.35 118.52 2g1d s TYR 68 Ca 0.00 -0.68 -0.02 0.00 -2.44 0.00 0.00 57.07 53.93 2g1d s TYR 68 Cb 0.00 -1.37 -0.04 0.00 0.35 0.00 0.00 41.96 40.90 2g1d s TYR 68 CO 0.00 -0.25 0.07 0.95 -1.34 0.00 0.00 175.55 174.98 2g1d s THR 69 N 0.16 4.75 -0.02 4.34 -4.23 0.14 -4.59 115.64 116.20 2g1d s THR 69 Ca -0.09 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 2g1d s THR 69 Cb -0.14 -3.10 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 2g1d s THR 69 CO 0.04 0.47 -0.24 -0.75 -0.54 0.00 0.00 174.62 173.61 2g1d s LYS 70 N -1.36 2.13 0.02 3.99 2.20 -0.43 -2.31 119.74 123.98 2g1d s LYS 70 Ca 0.19 -0.92 0.02 0.00 -0.36 0.00 0.00 55.97 54.90 2g1d s LYS 70 Cb -0.12 -2.08 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 2g1d s LYS 70 CO 0.09 0.56 -0.07 0.42 -0.36 0.00 0.00 175.35 175.99 2g1d s ILE 71 N -0.65 0.51 -0.30 5.43 1.09 -1.16 -1.16 121.20 124.96 2g1d s ILE 71 Ca 0.10 -0.60 -0.04 0.00 -1.10 0.00 0.00 60.65 59.02 2g1d s ILE 71 Cb -0.10 -0.49 0.03 0.00 -1.06 0.00 0.00 42.46 40.84 2g1d s ILE 71 CO -0.00 -0.08 0.03 -0.72 -0.10 0.00 0.00 174.94 174.07 2g1d s TYR 72 N -0.64 3.20 -1.86 3.97 1.13 -0.11 -2.90 117.35 120.14 2g1d s TYR 72 Ca -0.03 -1.52 0.27 0.00 -1.41 0.00 0.00 57.07 54.38 2g1d s TYR 72 Cb -0.05 -2.17 0.86 0.00 -1.10 0.00 0.00 41.96 39.50 2g1d s TYR 72 CO 0.00 -0.73 1.63 0.00 -2.51 0.00 0.00 175.55 173.95 2g1d n ALA 73 N 4.73 2.96 1.19 9.51 0.00 -1.23 -2.44 120.51 135.24 2g1d n ALA 73 Ca -0.14 -0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.01 2g1d n ALA 73 Cb 0.45 -1.16 0.58 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.56 0.00 -0.32 0.00 5.68 -1.26 -4.04 116.55 116.05 2g1d n ASP 74 Ca 0.14 -0.47 0.03 0.00 -0.50 0.00 0.00 54.79 53.99 2g1d n ASP 74 Cb 0.34 -0.08 0.10 0.00 -1.14 0.00 0.00 41.12 40.35 2g1d n ASP 74 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2g1d h LYS 75 N 0.00 -0.01 -1.24 0.11 3.64 -1.92 0.36 116.57 117.50 2g1d h LYS 75 Ca 0.00 0.00 0.39 0.00 -1.27 0.00 0.00 60.65 59.77 2g1d h LYS 75 Cb 0.05 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.75 2g1d h LYS 75 CO 0.00 -0.01 0.80 -1.35 -2.27 0.00 0.00 179.45 176.62 2g1d h PRO 76 N -0.01 0.16 0.01 1.90 0.11 -1.95 1.19 132.00 133.41 2g1d h PRO 76 Ca 0.41 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 66.26 2g1d h PRO 76 Cb 0.64 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.73 2g1d h PRO 76 CO -0.92 0.11 -1.02 0.77 -0.21 0.00 0.00 178.00 176.73 2g1d h SER 77 N 0.17 0.77 0.06 -2.05 0.02 -0.62 -3.02 113.55 108.89 2g1d h SER 77 Ca 0.75 -0.62 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2g1d h SER 77 Cb 2.27 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.57 2g1d h SER 77 CO -0.38 1.42 -0.03 0.00 -1.14 0.00 0.00 176.83 176.71 2g1d h ALA 78 N 0.52 -0.09 -0.96 3.77 0.00 0.12 -3.21 119.26 119.42 2g1d h ALA 78 Ca -0.12 -0.27 0.23 0.00 0.00 0.00 0.00 54.91 54.75 2g1d h ALA 78 Cb 1.67 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 2g1d h ALA 78 CO 0.19 -0.25 0.63 1.98 0.00 0.00 0.00 179.25 181.81 2g1d h MET 79 N -0.69 0.37 -0.24 0.00 -1.53 0.83 0.42 114.93 114.09 2g1d h MET 79 Ca -0.01 -0.02 0.06 0.00 -3.44 0.00 0.00 59.70 56.29 2g1d h MET 79 Cb 0.58 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.53 2g1d h MET 79 CO 0.01 0.24 0.17 1.25 0.14 0.00 0.00 176.91 178.72 2g1d h LEU 80 N 0.38 0.03 -0.23 3.39 7.12 -1.52 0.21 115.31 124.68 2g1d h LEU 80 Ca 0.51 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 58.35 2g1d h LEU 80 Cb 1.34 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.44 2g1d h LEU 80 CO -0.20 0.02 -0.83 1.88 -0.13 0.00 0.00 178.44 179.17 2g1d h TYR 81 N 0.03 0.00 -3.96 1.25 -1.99 -0.25 -3.47 116.97 108.59 2g1d h TYR 81 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2g1d h TYR 81 Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.13 2g1d h TYR 81 CO -0.00 0.83 -0.80 0.39 -0.00 0.00 0.00 178.16 178.59 2g1d n GLU 82 N -3.46 -4.47 -0.07 4.88 1.02 0.06 -3.82 120.64 114.78 2g1d n GLU 82 Ca -0.00 3.29 0.25 0.00 -0.02 0.00 0.00 57.16 60.68 2g1d n GLU 82 Cb 0.82 -3.71 0.72 0.00 -0.02 0.00 0.00 31.44 29.25 2g1d n GLU 82 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2g1d h PRO 83 N 3.53 0.00 -0.68 3.49 0.11 -1.86 0.83 132.00 137.43 2g1d h PRO 83 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2g1d h PRO 83 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2g1d h PRO 83 CO 0.00 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.39 2g1d n ASP 84 N -3.97 4.51 -0.37 -2.05 5.75 -1.26 -5.07 116.55 114.09 2g1d n ASP 84 Ca 0.14 -2.30 0.02 0.00 -0.01 0.00 0.00 54.79 52.63 2g1d n ASP 84 Cb 0.86 -0.55 -0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2g1d n ASP 84 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g1d n TYR 85 N 1.29 -1.63 -2.97 2.11 0.18 0.29 -4.93 117.16 111.49 2g1d n TYR 85 Ca 0.25 0.15 -0.11 0.00 1.88 0.00 0.00 57.90 60.07 2g1d n TYR 85 Cb 0.80 -0.21 0.01 0.00 -0.38 0.00 0.00 39.34 39.57 2g1d n TYR 85 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2g1d n GLU 86 N -0.93 -2.20 0.07 -3.48 1.02 -1.26 -4.92 120.64 108.93 2g1d n GLU 86 Ca 0.00 1.95 -0.02 0.00 -0.02 0.00 0.00 57.16 59.07 2g1d n GLU 86 Cb 0.06 -5.21 -0.07 0.00 -0.02 0.00 0.00 31.44 26.20 2g1d n GLU 86 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2g1d h LEU 87 N 1.80 0.00 0.00 -4.62 5.85 -1.90 -3.48 115.31 112.96 2g1d h LEU 87 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2g1d h LEU 87 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2g1d h LEU 87 CO 0.22 0.72 0.00 -0.38 -0.34 0.00 0.00 178.44 178.66 2g1d n ILE 88 N -3.14 0.00 -3.07 4.05 5.41 -1.26 -4.93 119.36 116.42 2g1d n ILE 88 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2g1d n ILE 88 Cb 0.86 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.79 2g1d n ILE 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2g1d n ARG 89 N 0.00 1.37 -0.12 0.38 5.12 -1.26 -5.08 116.66 117.07 2g1d n ARG 89 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 2g1d n ARG 89 Cb 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.21 2g1d n ARG 89 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2g1d n ASN 90 N -2.40 1.70 0.00 0.55 5.03 -1.26 -5.10 115.26 113.78 2g1d n ASN 90 Ca 0.00 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.71 2g1d n ASN 90 Cb 0.00 -0.67 0.00 0.00 -1.02 0.00 0.00 39.78 38.09 2g1d n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2g1d n GLY 91 N 1.59 0.89 3.98 7.41 0.00 -1.26 -5.01 105.19 112.80 2g1d n GLY 91 Ca -0.46 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 2g1d n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g1d s LEU 92 N 0.00 3.64 0.40 0.99 2.96 -1.26 -4.98 118.68 120.43 2g1d s LEU 92 Ca 0.00 -0.09 0.19 0.00 -0.22 0.00 0.00 54.13 54.01 2g1d s LEU 92 Cb 0.00 -2.85 1.12 0.00 0.50 0.00 0.00 46.19 44.96 2g1d s LEU 92 CO 0.00 -0.76 1.77 0.50 -1.32 0.00 0.00 176.35 176.54 2g1d h LYS 93 N 0.50 0.37 -1.30 1.98 1.63 -1.93 -3.45 116.57 114.38 2g1d h LYS 93 Ca -0.43 -0.02 -0.40 0.00 -0.85 0.00 0.00 60.65 58.95 2g1d h LYS 93 Cb 1.27 -0.08 -0.14 0.00 -0.60 0.00 0.00 32.23 32.68 2g1d h LYS 93 CO 0.52 0.24 -0.38 1.04 -3.45 0.00 0.00 179.45 177.42 2g1d n GLN 94 N -4.61 -1.47 -3.85 1.90 3.00 -1.26 0.72 117.38 111.81 2g1d n GLN 94 Ca 0.25 1.13 -0.27 0.00 -0.01 0.00 0.00 57.00 58.11 2g1d n GLN 94 Cb 0.89 -5.52 0.02 0.00 0.00 0.00 0.00 30.24 25.63 2g1d n GLN 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2g1d n LYS 95 N -2.37 -4.96 0.00 -1.09 4.81 -1.26 -4.48 118.16 108.81 2g1d n LYS 95 Ca -0.20 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 2g1d n LYS 95 Cb 0.64 -5.26 0.00 0.00 0.02 0.00 0.00 35.03 30.44 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 -4.49 0.00 -2.63 1.64 -0.00 -0.90 -5.11 120.64 109.15 2g1d n GLU 96 Ca -0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.61 2g1d n GLU 96 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 32.02 2g1d n GLU 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2g1d s ALA 97 N 0.00 3.53 0.00 -1.84 0.00 0.22 -5.13 121.76 118.54 2g1d s ALA 97 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2g1d s ALA 97 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2g1d s ALA 97 CO 0.00 -1.42 0.00 1.63 0.00 0.00 0.00 175.76 175.97