#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd6 h SER 2 N 0.00 0.00 -5.09 2.55 4.64 -2.04 -3.46 113.55 110.14 3cd6 h SER 2 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3cd6 h SER 2 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 3cd6 h SER 2 CO 0.00 0.66 -0.65 -0.94 -0.87 0.00 0.00 176.83 175.03 3cd6 s SER 3 N -6.26 0.63 -0.23 4.97 1.04 -1.26 -5.10 113.70 107.50 3cd6 s SER 3 Ca 0.00 -1.22 0.13 0.00 0.48 0.00 0.00 55.95 55.34 3cd6 s SER 3 Cb 0.08 0.24 0.45 0.00 0.10 0.00 0.00 66.02 66.89 3cd6 s SER 3 CO 0.79 -0.69 1.19 -3.20 0.98 0.00 0.00 173.24 172.31 3cd6 n ASN 4 N -0.17 2.96 -4.80 7.02 5.15 -1.26 -4.98 115.26 119.18 3cd6 n ASN 4 Ca -0.05 -3.37 -0.29 0.00 -0.60 0.00 0.00 54.58 50.27 3cd6 n ASN 4 Cb 0.64 -0.42 0.12 0.00 -0.53 0.00 0.00 39.78 39.59 3cd6 n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3cd6 s GLY 5 N -3.33 1.58 0.32 8.20 0.00 -1.26 -4.98 107.32 107.85 3cd6 s GLY 5 Ca 0.42 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.66 3cd6 s GLY 5 CO -0.03 0.03 1.83 -2.55 0.00 0.00 0.00 173.10 172.38 3cd6 h PRO 6 N -1.40 0.55 -0.95 2.90 0.11 -2.05 -3.08 132.00 128.08 3cd6 h PRO 6 Ca -0.50 -0.14 -0.33 0.00 0.11 0.00 0.00 66.00 65.15 3cd6 h PRO 6 Cb 1.33 -0.07 -0.20 0.00 0.11 0.00 0.00 31.00 32.17 3cd6 h PRO 6 CO 0.62 0.61 0.42 1.28 -0.21 0.00 0.00 178.00 180.72 3cd6 n LEU 7 N -4.24 5.64 -4.72 2.35 4.77 -1.26 -4.63 117.00 114.91 3cd6 n LEU 7 Ca 0.01 -2.98 -0.41 0.00 -0.03 0.00 0.00 56.01 52.61 3cd6 n LEU 7 Cb 0.28 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 3cd6 n LEU 7 CO 0.40 0.86 0.54 -0.70 -1.33 0.00 0.00 177.39 177.16 3cd6 s GLU 8 N -2.46 4.52 -1.42 3.23 -6.30 -1.17 -3.61 118.70 111.49 3cd6 s GLU 8 Ca 0.43 1.17 0.00 0.00 -2.50 0.00 0.00 54.97 54.07 3cd6 s GLU 8 Cb 0.35 -3.44 0.00 0.00 0.00 0.00 0.00 34.13 31.05 3cd6 s GLU 8 CO 0.09 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.84 3cd6 n GLY 9 N 2.86 0.91 1.14 -1.50 0.00 -1.26 -4.92 105.19 102.42 3cd6 n GLY 9 Ca 0.02 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.75 3cd6 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cd6 n THR 10 N -3.06 2.45 0.21 2.61 -2.24 -1.24 -4.77 114.28 108.25 3cd6 n THR 10 Ca -0.15 -1.98 -0.17 0.00 -2.27 0.00 0.00 64.05 59.48 3cd6 n THR 10 Cb 0.52 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 3cd6 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3cd6 h ARG 11 N 1.87 -0.82 -0.16 -0.78 2.43 -1.91 -2.45 114.38 112.57 3cd6 h ARG 11 Ca 0.08 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3cd6 h ARG 11 Cb 1.63 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 3cd6 h ARG 11 CO 0.34 -0.55 -0.01 0.78 -1.51 0.00 0.00 179.97 179.02 3cd6 h GLY 12 N -0.85 0.31 2.00 2.80 0.00 -1.93 -3.13 103.07 102.27 3cd6 h GLY 12 Ca -0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3cd6 h GLY 12 CO -0.15 0.22 -0.26 0.07 0.00 0.00 0.00 176.54 176.42 3cd6 h LYS 13 N 0.02 0.00 -0.54 4.80 2.10 -1.90 -3.00 116.57 118.05 3cd6 h LYS 13 Ca 0.04 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.60 3cd6 h LYS 13 Cb 0.41 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.69 3cd6 h LYS 13 CO 0.01 0.26 0.09 1.28 -2.00 0.00 0.00 179.45 179.09 3cd6 n LEU 14 N -3.57 5.32 -4.24 7.07 4.77 -0.92 -4.87 117.00 120.55 3cd6 n LEU 14 Ca -0.01 -3.12 -0.25 0.00 -0.03 0.00 0.00 56.01 52.61 3cd6 n LEU 14 Cb 0.40 -0.67 -0.14 0.00 -2.33 0.00 0.00 43.42 40.68 3cd6 n LEU 14 CO 0.34 0.75 -0.52 -0.75 -1.33 0.00 0.00 177.39 175.88 3cd6 s LYS 15 N -2.90 1.33 0.37 3.23 2.20 -1.13 -4.73 119.74 118.10 3cd6 s LYS 15 Ca 0.51 -0.93 -0.05 0.00 -0.36 0.00 0.00 55.97 55.14 3cd6 s LYS 15 Cb 0.41 -1.44 -0.05 0.00 -1.51 0.00 0.00 37.83 35.24 3cd6 s LYS 15 CO 0.12 0.37 0.65 -0.80 -0.36 0.00 0.00 175.35 175.32 3cd6 s ASN 16 N -1.20 6.39 0.27 1.43 0.02 -1.26 -4.92 114.94 115.67 3cd6 s ASN 16 Ca 0.07 0.79 -0.29 0.00 -1.02 0.00 0.00 52.86 52.41 3cd6 s ASN 16 Cb -0.09 -2.18 -0.09 0.00 0.02 0.00 0.00 41.25 38.91 3cd6 s ASN 16 CO 0.02 -0.34 0.95 -0.54 0.02 0.00 0.00 177.10 177.21 3cd6 s LYS 17 N -4.03 4.75 0.36 -0.60 3.01 -1.26 -4.93 119.74 117.04 3cd6 s LYS 17 Ca 0.45 1.46 0.26 0.00 -1.01 0.00 0.00 55.97 57.13 3cd6 s LYS 17 Cb -0.10 -3.12 1.23 0.00 -1.01 0.00 0.00 37.83 34.83 3cd6 s LYS 17 CO 0.35 0.42 1.31 -2.30 0.51 0.00 0.00 175.35 175.64 3cd6 n PRO 18 N 1.17 -0.03 0.08 -1.68 -0.02 -1.26 -0.03 135.00 133.22 3cd6 n PRO 18 Ca -0.01 1.07 0.13 0.00 -2.02 0.00 0.00 63.50 62.67 3cd6 n PRO 18 Cb 0.48 -2.08 0.40 0.00 -0.02 0.00 0.00 33.50 32.28 3cd6 n PRO 18 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cd6 n ARG 19 N -4.46 0.22 -0.85 -0.52 1.74 -1.26 -3.26 116.66 108.27 3cd6 n ARG 19 Ca 0.34 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.65 3cd6 n ARG 19 Cb 1.28 -1.74 0.39 0.00 -1.02 0.00 0.00 32.46 31.38 3cd6 n ARG 19 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3cd6 n ASP 20 N -2.12 5.56 -3.79 0.55 8.00 0.95 -4.99 116.55 120.70 3cd6 n ASP 20 Ca 0.05 -2.92 -0.30 0.00 0.71 0.00 0.00 54.79 52.34 3cd6 n ASP 20 Cb 0.42 -0.67 0.24 0.00 -0.02 0.00 0.00 41.12 41.08 3cd6 n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cd6 s ARG 21 N -2.72 -1.05 0.98 -1.24 3.52 -1.20 -4.79 118.95 112.44 3cd6 s ARG 21 Ca 0.54 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 3cd6 s ARG 21 Cb 0.41 -1.63 0.00 0.00 -1.56 0.00 0.00 34.95 32.17 3cd6 s ARG 21 CO 0.16 -3.58 0.00 0.41 -0.81 0.00 0.00 175.30 171.48 3cd6 n GLY 22 N -1.42 -1.65 3.72 8.12 0.00 -1.26 -4.80 105.19 107.89 3cd6 n GLY 22 Ca 0.14 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 3cd6 n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cd6 s THR 23 N -0.88 2.45 0.58 2.61 2.01 -1.26 -4.79 115.64 116.35 3cd6 s THR 23 Ca 0.00 0.29 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 3cd6 s THR 23 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 3cd6 s THR 23 CO 0.00 0.02 1.04 -0.44 -0.69 0.00 0.00 174.62 174.55 3cd6 s SER 24 N 1.30 5.93 0.24 3.53 0.01 -1.26 -5.02 113.70 118.43 3cd6 s SER 24 Ca 0.72 1.76 -0.30 0.00 1.31 0.00 0.00 55.95 59.44 3cd6 s SER 24 Cb -0.46 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.15 3cd6 s SER 24 CO 0.32 -1.07 1.42 -2.84 0.41 0.00 0.00 173.24 171.48 3cd6 s PRO 25 N -4.13 4.29 0.56 12.44 0.02 -1.26 -4.95 135.00 141.97 3cd6 s PRO 25 Ca 0.62 2.26 0.32 0.00 0.02 0.00 0.00 61.00 64.22 3cd6 s PRO 25 Cb -0.15 -3.12 1.68 0.00 0.02 0.00 0.00 34.50 32.93 3cd6 s PRO 25 CO 0.37 -0.39 2.15 -1.35 -0.33 0.00 0.00 177.00 177.45 3cd6 h PRO 26 N 5.07 0.00 -0.67 5.54 0.11 -2.00 -3.32 132.00 136.74 3cd6 h PRO 26 Ca -0.46 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.78 3cd6 h PRO 26 Cb 1.22 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 3cd6 h PRO 26 CO 0.77 0.07 0.18 0.37 -0.21 0.00 0.00 178.00 179.19 3cd6 h GLN 27 N 0.00 0.30 -0.00 1.05 5.75 -1.99 -1.66 115.11 118.56 3cd6 h GLN 27 Ca -0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3cd6 h GLN 27 Cb 0.24 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.72 3cd6 h GLN 27 CO 0.01 0.20 -0.11 2.89 -2.65 0.00 0.00 178.83 179.17 3cd6 n ARG 28 N -5.10 0.47 0.02 1.69 1.85 -1.25 -2.79 116.66 111.56 3cd6 n ARG 28 Ca 0.11 -0.14 0.12 0.00 -1.00 0.00 0.00 57.85 56.94 3cd6 n ARG 28 Cb 0.37 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 30.44 3cd6 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3cd6 n ALA 29 N -1.15 3.50 -0.03 2.89 0.00 -0.64 -3.09 120.51 122.00 3cd6 n ALA 29 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3cd6 n ALA 29 Cb 0.29 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3cd6 n ALA 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3cd6 n VAL 30 N -1.72 0.24 -1.68 0.00 0.24 -1.11 -4.46 118.33 109.85 3cd6 n VAL 30 Ca 0.04 -0.61 -0.45 0.00 -2.04 0.00 0.00 64.34 61.29 3cd6 n VAL 30 Cb 0.38 0.90 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 3cd6 n VAL 30 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3cd6 n GLU 31 N -0.12 2.53 -3.12 7.34 4.07 -1.12 -4.96 120.64 125.26 3cd6 n GLU 31 Ca 0.00 0.92 -0.40 0.00 -0.06 0.00 0.00 57.16 57.63 3cd6 n GLU 31 Cb 0.07 -2.81 -0.06 0.00 -0.06 0.00 0.00 31.44 28.58 3cd6 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3cd6 s GLU 32 N 3.48 4.25 -0.02 5.31 0.41 -1.26 -4.83 118.70 126.04 3cd6 s GLU 32 Ca 0.87 0.64 0.03 0.00 -0.41 0.00 0.00 54.97 56.11 3cd6 s GLU 32 Cb -0.56 -3.55 -0.03 0.00 -1.78 0.00 0.00 34.13 28.20 3cd6 s GLU 32 CO 0.44 -0.17 -0.08 -0.06 -0.49 0.00 0.00 175.26 174.90 3cd6 s PHE 33 N 1.67 2.87 0.21 1.61 0.40 -1.26 -5.13 117.98 118.36 3cd6 s PHE 33 Ca 0.30 -0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.57 3cd6 s PHE 33 Cb -0.16 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 3cd6 s PHE 33 CO 0.11 0.34 0.41 -0.51 0.70 0.00 0.00 175.22 176.28 3cd6 s ASP 34 N -1.19 6.40 0.08 1.36 1.01 -1.26 -5.04 116.67 118.04 3cd6 s ASP 34 Ca 0.15 0.46 -0.31 0.00 0.71 0.00 0.00 52.55 53.57 3cd6 s ASP 34 Cb -0.11 -2.04 -0.09 0.00 1.01 0.00 0.00 42.92 41.69 3cd6 s ASP 34 CO 0.05 -0.06 1.81 -1.81 0.21 0.00 0.00 175.17 175.37 3cd6 s ASP 35 N -3.09 6.48 0.00 0.27 1.11 -1.26 -2.06 116.67 118.12 3cd6 s ASP 35 Ca 0.39 2.65 0.00 0.00 0.18 0.00 0.00 52.55 55.77 3cd6 s ASP 35 Cb -0.11 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.32 3cd6 s ASP 35 CO 0.29 -0.98 0.00 0.61 1.18 0.00 0.00 175.17 176.26 3cd6 n GLY 36 N 4.24 1.90 3.77 0.21 0.00 0.25 -5.00 105.19 110.55 3cd6 n GLY 36 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3cd6 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cd6 s GLU 37 N -0.52 4.41 -0.22 1.61 2.02 -0.87 -4.68 118.70 120.45 3cd6 s GLU 37 Ca 0.00 1.89 -0.23 0.00 0.02 0.00 0.00 54.97 56.65 3cd6 s GLU 37 Cb 0.00 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 3cd6 s GLU 37 CO 0.00 -0.03 0.73 0.15 0.02 0.00 0.00 175.26 176.13 3cd6 s LYS 38 N -1.79 4.19 -0.00 1.61 -0.14 -1.26 -1.37 119.74 120.98 3cd6 s LYS 38 Ca 0.49 0.78 0.06 0.00 -1.36 0.00 0.00 55.97 55.94 3cd6 s LYS 38 Cb -0.33 -3.62 -0.02 0.00 -1.68 0.00 0.00 37.83 32.19 3cd6 s LYS 38 CO 0.42 -0.38 -0.20 0.14 -0.76 0.00 0.00 175.35 174.57 3cd6 s VAL 39 N 2.39 1.58 -0.03 3.17 -7.23 -0.40 -1.93 120.40 117.95 3cd6 s VAL 39 Ca 0.32 -0.93 -0.23 0.00 -1.81 0.00 0.00 61.98 59.33 3cd6 s VAL 39 Cb -0.16 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 3cd6 s VAL 39 CO 0.09 0.38 0.68 -1.00 -0.31 0.00 0.00 175.10 174.94 3cd6 s HIS 40 N -0.55 3.63 -0.36 2.82 3.76 0.19 -1.73 115.29 123.06 3cd6 s HIS 40 Ca 0.08 1.26 -0.14 0.00 -0.15 0.00 0.00 55.06 56.11 3cd6 s HIS 40 Cb -0.08 -2.75 -0.01 0.00 1.11 0.00 0.00 32.58 30.86 3cd6 s HIS 40 CO -0.00 0.19 0.27 -0.51 -0.85 0.00 0.00 174.74 173.84 3cd6 s LEU 41 N 0.38 4.69 -0.18 0.89 1.02 0.25 -2.20 118.68 123.53 3cd6 s LEU 41 Ca 0.35 -0.54 -0.07 0.00 0.02 0.00 0.00 54.13 53.89 3cd6 s LEU 41 Cb -0.18 -2.17 0.08 0.00 0.02 0.00 0.00 46.19 43.94 3cd6 s LEU 41 CO 0.18 -0.31 0.39 -0.75 0.02 0.00 0.00 176.35 175.88 3cd6 s LYS 42 N 1.75 0.29 0.12 1.70 2.47 -0.97 -0.52 119.74 124.59 3cd6 s LYS 42 Ca 0.06 0.95 -0.31 0.00 -1.56 0.00 0.00 55.97 55.12 3cd6 s LYS 42 Cb -0.18 0.22 -0.07 0.00 -1.46 0.00 0.00 37.83 36.34 3cd6 s LYS 42 CO 0.11 -0.25 1.28 0.42 0.16 0.00 0.00 175.35 177.06 3cd6 s ILE 43 N 2.44 3.60 -0.35 5.43 1.01 -1.26 -4.46 121.20 127.61 3cd6 s ILE 43 Ca -0.02 1.20 -0.23 0.00 0.00 0.00 0.00 60.65 61.61 3cd6 s ILE 43 Cb -0.12 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.59 3cd6 s ILE 43 CO -0.12 0.12 0.76 -0.62 0.00 0.00 0.00 174.94 175.08 3cd6 s ASP 44 N 0.81 6.56 0.56 3.58 -1.08 -1.26 -4.94 116.67 120.90 3cd6 s ASP 44 Ca 0.59 0.40 0.24 0.00 -0.52 0.00 0.00 52.55 53.26 3cd6 s ASP 44 Cb -0.33 -2.39 1.53 0.00 -1.46 0.00 0.00 42.92 40.27 3cd6 s ASP 44 CO 0.32 -0.68 2.14 -0.65 0.52 0.00 0.00 175.17 176.82 3cd6 h PRO 45 N 8.39 0.00 0.00 4.34 0.11 -1.89 -2.59 132.00 140.35 3cd6 h PRO 45 Ca -0.25 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.71 3cd6 h PRO 45 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3cd6 h PRO 45 CO 0.89 0.00 -0.73 0.77 -0.21 0.00 0.00 178.00 178.72 3cd6 h SER 46 N 0.00 0.00 -3.58 -2.05 0.02 -1.91 -3.42 113.55 102.60 3cd6 h SER 46 Ca 0.06 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.34 3cd6 h SER 46 Cb 0.28 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.65 3cd6 h SER 46 CO -0.00 0.73 -0.07 -0.69 -1.14 0.00 0.00 176.83 175.66 3cd6 s VAL 47 N -3.19 5.00 0.02 2.27 1.01 -0.98 -4.84 120.40 119.69 3cd6 s VAL 47 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 3cd6 s VAL 47 Cb 0.11 -4.04 -0.18 0.00 0.00 0.00 0.00 36.38 32.27 3cd6 s VAL 47 CO 0.77 -0.38 1.36 -0.65 0.00 0.00 0.00 175.10 176.21 3cd6 h PRO 48 N 8.66 -0.17 -7.23 2.72 0.11 -1.83 -3.44 132.00 130.83 3cd6 h PRO 48 Ca -0.27 0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.40 3cd6 h PRO 48 Cb 1.11 0.04 0.07 0.00 0.11 0.00 0.00 31.00 32.33 3cd6 h PRO 48 CO 0.81 0.15 0.19 -0.80 -0.21 0.00 0.00 178.00 178.13 3cd6 s ASN 49 N -5.33 4.88 -0.86 -2.05 -0.87 -1.26 -4.47 114.94 104.99 3cd6 s ASN 49 Ca -0.15 0.37 0.00 0.00 -1.57 0.00 0.00 52.86 51.51 3cd6 s ASN 49 Cb 0.03 -1.05 0.00 0.00 -0.02 0.00 0.00 41.25 40.20 3cd6 s ASN 49 CO 0.62 -1.53 0.00 0.61 -2.57 0.00 0.00 177.10 174.23 3cd6 n GLY 50 N -2.83 0.96 3.87 0.66 0.00 -1.26 -4.92 105.19 101.68 3cd6 n GLY 50 Ca 0.08 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 3cd6 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cd6 s ARG 51 N -2.43 3.67 0.56 1.61 0.52 -1.26 -2.40 118.95 119.22 3cd6 s ARG 51 Ca 0.00 0.63 0.06 0.00 -0.52 0.00 0.00 55.73 55.90 3cd6 s ARG 51 Cb 0.00 -2.19 0.06 0.00 0.52 0.00 0.00 34.95 33.33 3cd6 s ARG 51 CO 0.00 -0.38 0.51 -0.59 0.02 0.00 0.00 175.30 174.87 3cd6 s PHE 52 N -2.89 1.47 -0.03 -0.53 -0.12 -1.26 -4.89 117.98 109.73 3cd6 s PHE 52 Ca 0.53 -0.84 -0.30 0.00 -0.05 0.00 0.00 56.93 56.27 3cd6 s PHE 52 Cb -0.11 -1.97 -0.05 0.00 -0.63 0.00 0.00 43.02 40.27 3cd6 s PHE 52 CO 0.46 -0.69 1.36 -1.58 -0.05 0.00 0.00 175.22 174.71 3cd6 s HIS 53 N -2.77 2.89 0.63 3.49 5.65 -1.26 -4.88 115.29 119.03 3cd6 s HIS 53 Ca 0.40 0.89 0.20 0.00 0.25 0.00 0.00 55.06 56.80 3cd6 s HIS 53 Cb -0.03 -3.61 0.79 0.00 -1.18 0.00 0.00 32.58 28.55 3cd6 s HIS 53 CO 0.25 -2.21 1.34 -1.35 -0.65 0.00 0.00 174.74 172.13 3cd6 h PRO 54 N 7.85 0.00 0.00 2.88 0.11 -1.98 -0.50 132.00 140.36 3cd6 h PRO 54 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3cd6 h PRO 54 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3cd6 h PRO 54 CO 0.90 0.00 0.00 -0.09 -0.21 0.00 0.00 178.00 178.60 3cd6 h ARG 55 N 0.00 0.00 -0.63 1.05 2.43 -1.90 -2.66 114.38 112.67 3cd6 h ARG 55 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3cd6 h ARG 55 Cb 2.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.81 3cd6 h ARG 55 CO -0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 3cd6 n PHE 56 N -2.97 1.23 -2.36 2.20 3.72 -0.20 -4.93 117.46 114.15 3cd6 n PHE 56 Ca -0.01 -0.49 -0.42 0.00 -0.05 0.00 0.00 57.45 56.48 3cd6 n PHE 56 Cb 0.17 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 3cd6 n PHE 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3cd6 s ASP 57 N -0.82 7.02 0.00 4.37 1.11 -1.01 -2.91 116.67 124.44 3cd6 s ASP 57 Ca 0.42 2.12 0.00 0.00 0.18 0.00 0.00 52.55 55.27 3cd6 s ASP 57 Cb 0.27 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.67 3cd6 s ASP 57 CO 0.20 -0.49 0.00 0.61 1.18 0.00 0.00 175.17 176.67 3cd6 n GLY 58 N 3.12 0.39 3.81 0.21 0.00 0.33 -5.03 105.19 108.02 3cd6 n GLY 58 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3cd6 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cd6 s GLN 59 N -0.97 3.97 -0.35 1.61 -1.52 -1.15 -4.85 119.66 116.41 3cd6 s GLN 59 Ca 0.00 1.22 0.02 0.00 -1.95 0.00 0.00 55.36 54.65 3cd6 s GLN 59 Cb 0.00 -2.13 0.10 0.00 -0.22 0.00 0.00 33.01 30.76 3cd6 s GLN 59 CO 0.00 -0.27 0.09 0.99 -0.25 0.00 0.00 175.29 175.86 3cd6 s THR 60 N -2.14 1.70 0.14 -0.19 2.01 -1.26 -0.58 115.64 115.32 3cd6 s THR 60 Ca 0.64 -2.06 0.02 0.00 0.31 0.00 0.00 61.69 60.60 3cd6 s THR 60 Cb -0.13 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.14 3cd6 s THR 60 CO 0.19 -0.66 0.14 0.61 -0.69 0.00 0.00 174.62 174.20 3cd6 n GLY 61 N 4.36 2.56 3.17 4.40 0.00 -0.70 -4.89 105.19 114.10 3cd6 n GLY 61 Ca 0.02 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 3cd6 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cd6 s THR 62 N -0.36 1.77 -0.21 2.61 2.01 -0.70 -1.28 115.64 119.49 3cd6 s THR 62 Ca 0.11 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 3cd6 s THR 62 Cb -0.01 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 3cd6 s THR 62 CO 0.07 0.50 1.38 -0.69 -0.69 0.00 0.00 174.62 175.19 3cd6 s VAL 63 N 0.28 4.05 -0.23 3.82 1.01 -0.47 -0.59 120.40 128.27 3cd6 s VAL 63 Ca -0.13 1.23 0.11 0.00 0.00 0.00 0.00 61.98 63.19 3cd6 s VAL 63 Cb -0.16 -3.94 0.44 0.00 0.00 0.00 0.00 36.38 32.72 3cd6 s VAL 63 CO 0.06 -0.26 1.21 -0.62 0.00 0.00 0.00 175.10 175.48 3cd6 n GLU 64 N 7.08 2.19 0.00 2.72 -0.58 -0.63 0.87 120.64 132.29 3cd6 n GLU 64 Ca 0.15 -3.54 0.00 0.00 -0.42 0.00 0.00 57.16 53.35 3cd6 n GLU 64 Cb 0.45 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3cd6 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cd6 n GLY 65 N -0.92 0.79 3.21 0.62 0.00 -1.25 -4.96 105.19 102.68 3cd6 n GLY 65 Ca 0.26 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 3cd6 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cd6 s LYS 66 N -0.87 1.09 -0.37 1.61 -2.85 -1.26 -1.22 119.74 115.87 3cd6 s LYS 66 Ca 0.00 -1.54 0.00 0.00 -1.00 0.00 0.00 55.97 53.43 3cd6 s LYS 66 Cb 0.00 -0.01 0.13 0.00 -2.06 0.00 0.00 37.83 35.88 3cd6 s LYS 66 CO 0.00 -0.23 0.19 -1.14 0.10 0.00 0.00 175.35 174.26 3cd6 s GLN 67 N -4.01 0.79 6.70 1.78 0.74 0.04 -4.84 119.66 120.86 3cd6 s GLN 67 Ca 0.28 -1.42 0.00 0.00 0.05 0.00 0.00 55.36 54.27 3cd6 s GLN 67 Cb 0.07 -1.78 0.00 0.00 1.10 0.00 0.00 33.01 32.40 3cd6 s GLN 67 CO 0.05 -1.12 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 3cd6 n GLY 68 N 4.18 1.81 0.01 2.59 0.00 -1.26 -2.89 105.19 109.62 3cd6 n GLY 68 Ca 0.06 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.59 3cd6 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cd6 n ASP 69 N 7.56 0.30 -4.85 1.61 8.00 -1.26 -4.95 116.55 122.97 3cd6 n ASP 69 Ca 0.00 -0.21 -0.32 0.00 0.71 0.00 0.00 54.79 54.97 3cd6 n ASP 69 Cb 0.00 1.77 -0.04 0.00 -0.02 0.00 0.00 41.12 42.83 3cd6 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cd6 s ALA 70 N -3.37 3.15 0.20 2.24 0.00 -1.14 -4.72 121.76 118.11 3cd6 s ALA 70 Ca -0.04 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.06 3cd6 s ALA 70 Cb 0.14 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 3cd6 s ALA 70 CO 0.88 -0.08 0.34 0.71 0.00 0.00 0.00 175.76 177.60 3cd6 s TYR 71 N -2.45 3.47 -0.35 0.00 1.51 0.18 -0.78 117.35 118.94 3cd6 s TYR 71 Ca 0.57 0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.70 3cd6 s TYR 71 Cb -0.10 -1.67 0.06 0.00 -0.11 0.00 0.00 41.96 40.14 3cd6 s TYR 71 CO 0.27 0.45 0.11 0.15 -1.11 0.00 0.00 175.55 175.42 3cd6 s LYS 72 N -3.55 2.46 -0.16 -0.62 1.02 -0.36 -0.96 119.74 117.57 3cd6 s LYS 72 Ca 0.35 -1.35 -0.03 0.00 0.02 0.00 0.00 55.97 54.97 3cd6 s LYS 72 Cb -0.10 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 3cd6 s LYS 72 CO 0.29 -0.75 -0.06 0.08 -0.92 0.00 0.00 175.35 173.99 3cd6 s VAL 73 N 1.32 3.61 -0.23 3.17 1.01 0.16 -1.60 120.40 127.84 3cd6 s VAL 73 Ca -0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 3cd6 s VAL 73 Cb -0.21 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3cd6 s VAL 73 CO 0.00 0.49 0.46 -1.81 0.00 0.00 0.00 175.10 174.25 3cd6 s ASP 74 N 0.51 6.43 0.47 3.32 1.11 0.24 0.23 116.67 128.99 3cd6 s ASP 74 Ca -0.05 0.52 0.02 0.00 0.18 0.00 0.00 52.55 53.22 3cd6 s ASP 74 Cb -0.15 -2.26 -0.02 0.00 1.07 0.00 0.00 42.92 41.56 3cd6 s ASP 74 CO 0.03 -0.19 0.05 0.27 1.18 0.00 0.00 175.17 176.50 3cd6 s ILE 75 N 1.87 1.00 -0.24 0.77 -4.36 -0.21 -1.72 121.20 118.30 3cd6 s ILE 75 Ca 0.20 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 3cd6 s ILE 75 Cb -0.15 -2.27 0.07 0.00 1.25 0.00 0.00 42.46 41.36 3cd6 s ILE 75 CO 0.09 0.00 0.02 -0.69 0.24 0.00 0.00 174.94 174.60 3cd6 s VAL 76 N -2.99 0.99 -0.59 8.37 1.01 -1.26 -1.83 120.40 124.10 3cd6 s VAL 76 Ca 0.13 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 3cd6 s VAL 76 Cb 0.02 -1.49 0.08 0.00 0.00 0.00 0.00 36.38 34.99 3cd6 s VAL 76 CO 0.08 -0.31 0.79 -0.62 0.00 0.00 0.00 175.10 175.03 3cd6 s ASP 77 N 1.62 6.21 0.13 3.32 2.15 0.11 -4.77 116.67 125.43 3cd6 s ASP 77 Ca 0.01 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 51.92 3cd6 s ASP 77 Cb -0.18 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 3cd6 s ASP 77 CO -0.12 -1.17 0.00 0.61 -0.17 0.00 0.00 175.17 174.32 3cd6 n GLY 78 N 5.25 1.66 0.00 2.66 0.00 -1.26 -0.93 105.19 112.56 3cd6 n GLY 78 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3cd6 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd6 n GLY 79 N 0.00 -0.18 3.67 -0.02 0.00 -1.26 -5.05 105.19 102.35 3cd6 n GLY 79 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3cd6 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cd6 s LYS 80 N -0.12 4.06 0.04 1.61 2.20 -0.11 -5.08 119.74 122.34 3cd6 s LYS 80 Ca 0.00 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 3cd6 s LYS 80 Cb 0.00 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 3cd6 s LYS 80 CO 0.00 0.21 0.97 -1.21 -0.36 0.00 0.00 175.35 174.96 3cd6 s GLU 81 N 0.59 4.61 -0.00 4.03 2.02 -1.26 0.07 118.70 128.75 3cd6 s GLU 81 Ca 0.06 1.42 0.02 0.00 0.02 0.00 0.00 54.97 56.48 3cd6 s GLU 81 Cb -0.12 -3.43 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 3cd6 s GLU 81 CO 0.01 0.05 -0.05 0.15 0.02 0.00 0.00 175.26 175.43 3cd6 s LYS 82 N 0.62 0.43 -0.25 1.61 1.02 -0.76 -4.94 119.74 117.46 3cd6 s LYS 82 Ca 0.50 -0.22 -0.10 0.00 0.02 0.00 0.00 55.97 56.17 3cd6 s LYS 82 Cb -0.22 -0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 36.64 3cd6 s LYS 82 CO 0.28 0.11 0.16 0.99 -0.92 0.00 0.00 175.35 175.97 3cd6 s THR 83 N -0.19 5.20 -0.17 2.17 2.01 -1.26 -1.05 115.64 122.35 3cd6 s THR 83 Ca 0.01 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.10 3cd6 s THR 83 Cb -0.02 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3cd6 s THR 83 CO -0.00 0.31 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.60 3cd6 s ILE 84 N 1.35 4.09 -0.30 1.82 1.01 0.14 -4.91 121.20 124.40 3cd6 s ILE 84 Ca 0.07 -0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 3cd6 s ILE 84 Cb -0.15 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 3cd6 s ILE 84 CO 0.07 0.47 0.69 -0.63 0.00 0.00 0.00 174.94 175.54 3cd6 s ILE 85 N 0.49 4.89 -0.14 2.92 -1.09 -1.26 -0.66 121.20 126.35 3cd6 s ILE 85 Ca -0.02 1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 59.31 3cd6 s ILE 85 Cb -0.14 -4.05 0.04 0.00 -1.58 0.00 0.00 42.46 36.73 3cd6 s ILE 85 CO 0.02 -0.16 0.37 0.54 -1.23 0.00 0.00 174.94 174.48 3cd6 s VAL 86 N 2.73 -0.00 0.30 2.92 0.11 -0.13 -4.50 120.40 121.83 3cd6 s VAL 86 Ca 0.28 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.21 3cd6 s VAL 86 Cb -0.15 -0.52 -0.08 0.00 -1.53 0.00 0.00 36.38 34.11 3cd6 s VAL 86 CO 0.11 0.00 0.67 0.42 -3.33 0.00 0.00 175.10 172.97 3cd6 s THR 87 N 0.21 4.79 0.58 5.04 -4.23 -1.01 0.51 115.64 121.53 3cd6 s THR 87 Ca -0.00 0.71 0.31 0.00 -1.18 0.00 0.00 61.69 61.53 3cd6 s THR 87 Cb -0.03 -3.63 0.45 0.00 1.34 0.00 0.00 72.50 70.63 3cd6 s THR 87 CO 0.00 -0.19 1.73 0.00 -0.54 0.00 0.00 174.62 175.63 3cd6 h ALA 88 N 2.23 2.69 -0.01 3.99 0.00 -1.84 -1.39 119.26 124.93 3cd6 h ALA 88 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3cd6 h ALA 88 Cb 1.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3cd6 h ALA 88 CO 0.67 -1.22 0.02 0.00 0.00 0.00 0.00 179.25 178.71 3cd6 h ALA 89 N 1.23 1.21 -0.31 0.00 0.00 -1.76 -0.81 119.26 118.82 3cd6 h ALA 89 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3cd6 h ALA 89 Cb 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3cd6 h ALA 89 CO -0.00 -0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.94 3cd6 n HIS 90 N -3.35 0.42 -5.16 0.00 -0.00 -0.52 -4.51 115.22 102.10 3cd6 n HIS 90 Ca -0.03 -0.51 -0.31 0.00 -0.00 0.00 0.00 57.72 56.87 3cd6 n HIS 90 Cb 0.09 -0.03 -0.15 0.00 -0.00 0.00 0.00 29.99 29.90 3cd6 n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3cd6 s LEU 91 N -1.03 2.24 -0.02 2.41 1.43 -0.31 -2.28 118.68 121.12 3cd6 s LEU 91 Ca 0.21 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3cd6 s LEU 91 Cb 0.11 -1.39 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 3cd6 s LEU 91 CO 0.14 0.32 -0.12 -0.13 0.23 0.00 0.00 176.35 176.79 3cd6 s ARG 92 N -0.72 1.16 0.35 1.70 1.81 -0.93 -4.95 118.95 117.36 3cd6 s ARG 92 Ca 0.11 -0.41 -0.27 0.00 -1.72 0.00 0.00 55.73 53.43 3cd6 s ARG 92 Cb -0.10 -1.07 -0.09 0.00 -0.45 0.00 0.00 34.95 33.24 3cd6 s ARG 92 CO -0.00 0.19 1.16 0.50 -0.68 0.00 0.00 175.30 176.47 3cd6 s ARG 93 N 0.02 4.29 -0.01 3.54 3.52 -1.26 0.57 118.95 129.62 3cd6 s ARG 93 Ca -0.01 1.87 -0.30 0.00 -0.13 0.00 0.00 55.73 57.15 3cd6 s ARG 93 Cb -0.08 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 3cd6 s ARG 93 CO 0.01 -0.12 1.10 -1.14 -0.81 0.00 0.00 175.30 174.33 3cd6 s GLN 94 N -1.98 4.45 0.00 5.12 0.74 -0.81 -4.81 119.66 122.37 3cd6 s GLN 94 Ca 0.52 1.57 0.00 0.00 0.05 0.00 0.00 55.36 57.50 3cd6 s GLN 94 Cb -0.32 -3.46 0.00 0.00 1.10 0.00 0.00 33.01 30.33 3cd6 s GLN 94 CO 0.41 -0.24 0.00 0.39 -0.55 0.00 0.00 175.29 175.29