#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs8 s HIS 2 N 0.00 3.46 0.01 0.00 -0.00 -1.26 -5.05 115.29 112.45 1vs8 s HIS 2 Ca 0.00 0.69 -0.00 0.00 -0.00 0.00 0.00 55.06 55.75 1vs8 s HIS 2 Cb 0.00 -2.12 -0.00 0.00 -0.00 0.00 0.00 32.58 30.46 1vs8 s HIS 2 CO 0.00 0.29 -0.00 1.63 -0.00 0.00 0.00 174.74 176.65 1vs8 n LYS 3 N -0.35 0.01 -1.59 -0.38 4.76 -1.26 -4.95 118.16 114.40 1vs8 n LYS 3 Ca -0.01 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.29 1vs8 n LYS 3 Cb 0.53 -0.12 -0.08 0.00 -1.84 0.00 0.00 35.03 33.51 1vs8 n LYS 3 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1vs8 s LYS 4 N -1.17 1.47 0.00 1.97 1.02 -1.26 -4.60 119.74 117.17 1vs8 s LYS 4 Ca -0.00 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.20 1vs8 s LYS 4 Cb 0.00 -4.85 0.00 0.00 -0.52 0.00 0.00 37.83 32.47 1vs8 s LYS 4 CO 0.01 -4.77 0.00 0.00 -0.92 0.00 0.00 175.35 169.67 1vs8 n ALA 5 N 18.97 0.00 0.22 5.17 0.00 -1.26 -4.77 120.51 138.84 1vs8 n ALA 5 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.81 1vs8 n ALA 5 Cb 0.44 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.95 1vs8 n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs8 n GLY 6 N 4.92 2.87 0.00 0.00 0.00 -1.26 -4.23 105.19 107.48 1vs8 n GLY 6 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1vs8 n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs8 n GLY 7 N -0.06 -0.74 4.73 -0.02 0.00 -1.26 -4.91 105.19 102.92 1vs8 n GLY 7 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1vs8 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vs8 n SER 8 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.79 113.62 112.06 1vs8 n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1vs8 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1vs8 n SER 8 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1vs8 n THR 9 N 0.00 0.00 -2.92 2.46 -2.24 -1.26 -4.73 114.28 105.59 1vs8 n THR 9 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1vs8 n THR 9 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1vs8 n THR 9 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1vs8 n ARG 10 N 0.00 -2.34 0.16 -0.78 5.12 -1.26 -4.88 116.66 112.67 1vs8 n ARG 10 Ca 0.00 1.99 0.09 0.00 -1.93 0.00 0.00 57.85 58.00 1vs8 n ARG 10 Cb 0.00 -2.64 0.08 0.00 -1.16 0.00 0.00 32.46 28.75 1vs8 n ARG 10 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1vs8 h ASN 11 N 4.29 0.00 0.00 0.55 4.21 -2.03 -3.50 115.58 119.11 1vs8 h ASN 11 Ca -0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.34 1vs8 h ASN 11 Cb 0.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1vs8 h ASN 11 CO 0.02 0.14 0.00 0.61 -1.29 0.00 0.00 177.43 176.91 1vs8 n GLY 12 N 1.17 0.21 0.00 2.83 0.00 -1.26 -5.09 105.19 103.05 1vs8 n GLY 12 Ca 0.02 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1vs8 n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vs8 n ARG 13 N 0.00 0.56 -2.66 1.61 -4.01 -1.26 -5.13 116.66 105.77 1vs8 n ARG 13 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 1vs8 n ARG 13 Cb 0.00 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.39 1vs8 n ARG 13 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1vs8 s ASP 14 N 0.47 7.35 0.46 2.89 1.01 -1.26 -5.05 116.67 122.53 1vs8 s ASP 14 Ca 0.00 1.76 0.08 0.00 0.71 0.00 0.00 52.55 55.11 1vs8 s ASP 14 Cb 0.00 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.38 1vs8 s ASP 14 CO 0.00 -0.25 0.63 -0.44 0.21 0.00 0.00 175.17 175.32 1vs8 s SER 15 N 0.76 5.50 0.00 0.27 0.01 -1.26 -5.08 113.70 113.90 1vs8 s SER 15 Ca 0.52 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1vs8 s SER 15 Cb -0.23 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.61 1vs8 s SER 15 CO 0.29 -0.92 0.00 1.21 0.41 0.00 0.00 173.24 174.23 1vs8 n GLU 16 N -1.96 0.00 0.00 12.44 4.07 -1.26 -5.12 120.64 128.81 1vs8 n GLU 16 Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 1vs8 n GLU 16 Cb 0.60 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 1vs8 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1vs8 n ALA 17 N -3.00 0.00 0.00 4.31 0.00 -1.26 -4.97 120.51 115.59 1vs8 n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vs8 n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vs8 n ALA 17 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vs8 n LYS 18 N 14.00 0.00 -3.48 0.00 2.85 -1.25 -4.95 118.16 125.33 1vs8 n LYS 18 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 1vs8 n LYS 18 Cb 0.00 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 1vs8 n LYS 18 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1vs8 s ARG 19 N -0.92 0.30 0.66 -1.58 1.70 -1.26 -2.47 118.95 115.38 1vs8 s ARG 19 Ca 0.00 -0.55 0.02 0.00 -0.47 0.00 0.00 55.73 54.73 1vs8 s ARG 19 Cb 0.00 -1.01 0.13 0.00 -0.57 0.00 0.00 34.95 33.50 1vs8 s ARG 19 CO 0.00 -1.06 0.90 1.47 -1.08 0.00 0.00 175.30 175.53 1vs8 n LEU 20 N 5.04 0.00 -3.26 -1.89 -0.00 -1.26 -4.65 117.00 110.98 1vs8 n LEU 20 Ca -0.01 -2.10 -0.16 0.00 -0.00 0.00 0.00 56.01 53.74 1vs8 n LEU 20 Cb 0.43 -0.56 0.08 0.00 -0.00 0.00 0.00 43.42 43.37 1vs8 n LEU 20 CO 0.05 -0.90 0.09 0.61 -0.00 0.00 0.00 177.39 177.24 1vs8 n GLY 21 N -2.15 -0.46 3.54 1.47 0.00 -1.26 0.11 105.19 106.44 1vs8 n GLY 21 Ca 0.16 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 1vs8 n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vs8 n VAL 22 N -3.78 -0.06 0.00 1.61 0.24 -1.26 -4.54 118.33 110.54 1vs8 n VAL 22 Ca -0.23 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 1vs8 n VAL 22 Cb 0.65 -2.17 0.00 0.00 -1.47 0.00 0.00 33.84 30.85 1vs8 n VAL 22 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1vs8 n LYS 23 N 8.76 0.00 -2.11 7.34 4.81 -1.26 -2.41 118.16 133.30 1vs8 n LYS 23 Ca 0.45 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.54 1vs8 n LYS 23 Cb 0.42 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.50 1vs8 n LYS 23 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1vs8 n ARG 24 N 0.00 3.00 -0.01 1.64 1.74 -1.26 -4.65 116.66 117.12 1vs8 n ARG 24 Ca 0.00 -3.87 0.11 0.00 -0.77 0.00 0.00 57.85 53.31 1vs8 n ARG 24 Cb 0.00 -2.26 0.60 0.00 -1.02 0.00 0.00 32.46 29.78 1vs8 n ARG 24 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1vs8 n PHE 25 N -0.53 0.02 0.00 -1.55 -1.74 -1.01 -4.95 117.46 107.70 1vs8 n PHE 25 Ca 0.49 -0.01 0.00 0.00 -0.56 0.00 0.00 57.45 57.37 1vs8 n PHE 25 Cb 0.40 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.40 1vs8 n PHE 25 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1vs8 n GLY 26 N 0.87 -0.46 0.00 4.97 0.00 -1.26 -5.05 105.19 104.26 1vs8 n GLY 26 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1vs8 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs8 n GLY 27 N 0.00 2.64 3.05 -0.02 0.00 -1.26 -4.11 105.19 105.50 1vs8 n GLY 27 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1vs8 n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vs8 n GLU 28 N 0.00 -1.71 -1.46 1.61 -0.58 -1.24 -4.14 120.64 113.11 1vs8 n GLU 28 Ca 0.00 1.13 -0.33 0.00 -0.42 0.00 0.00 57.16 57.54 1vs8 n GLU 28 Cb 0.00 -2.09 0.07 0.00 -0.57 0.00 0.00 31.44 28.85 1vs8 n GLU 28 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1vs8 n SER 29 N -3.96 7.17 0.00 1.62 7.64 -1.25 -4.30 113.62 120.54 1vs8 n SER 29 Ca 0.01 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.10 1vs8 n SER 29 Cb 0.39 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1vs8 n SER 29 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1vs8 n VAL 30 N -0.88 0.00 0.01 0.44 0.31 -1.26 -4.52 118.33 112.43 1vs8 n VAL 30 Ca 0.59 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.90 1vs8 n VAL 30 Cb 0.72 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.65 1vs8 n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vs8 n LEU 31 N 0.00 0.99 -2.66 7.52 4.77 -1.26 -4.49 117.00 121.87 1vs8 n LEU 31 Ca 0.00 0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1vs8 n LEU 31 Cb 0.00 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1vs8 n LEU 31 CO 0.00 -0.59 0.02 0.00 -1.33 0.00 0.00 177.39 175.50 1vs8 n ALA 32 N -3.43 -1.79 0.00 -1.18 0.00 -1.25 -4.32 120.51 108.55 1vs8 n ALA 32 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1vs8 n ALA 32 Cb 0.11 -3.85 0.00 0.00 0.00 0.00 0.00 19.45 15.71 1vs8 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs8 n GLY 33 N -1.30 3.22 0.00 0.00 0.00 0.31 -4.80 105.19 102.62 1vs8 n GLY 33 Ca -0.06 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1vs8 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vs8 n SER 34 N 0.00 0.00 0.27 1.61 2.88 -1.13 -4.62 113.62 112.64 1vs8 n SER 34 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1vs8 n SER 34 Cb 0.00 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.03 1vs8 n SER 34 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1vs8 h ILE 35 N 0.00 0.00 -2.66 2.46 5.03 -1.85 -3.33 117.51 117.15 1vs8 h ILE 35 Ca 0.00 0.00 -0.59 0.00 -0.12 0.00 0.00 64.86 64.15 1vs8 h ILE 35 Cb 0.00 0.46 -0.11 0.00 -3.03 0.00 0.00 36.82 34.14 1vs8 h ILE 35 CO 0.00 0.00 -0.67 -0.51 -0.68 0.00 0.00 178.15 176.29 1vs8 s ILE 36 N -3.81 3.51 0.25 -0.67 1.10 -1.26 -4.84 121.20 115.48 1vs8 s ILE 36 Ca -0.02 -1.65 0.03 0.00 -0.51 0.00 0.00 60.65 58.49 1vs8 s ILE 36 Cb 0.06 -2.80 -0.00 0.00 0.15 0.00 0.00 42.46 39.87 1vs8 s ILE 36 CO 0.19 -0.21 1.61 0.58 -2.11 0.00 0.00 174.94 175.01 1vs8 h VAL 37 N 2.32 1.33 0.00 4.00 2.07 -1.99 -3.37 116.25 120.60 1vs8 h VAL 37 Ca -0.46 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1vs8 h VAL 37 Cb 1.22 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1vs8 h VAL 37 CO 0.58 0.51 0.00 -1.14 0.02 0.00 0.00 177.57 177.54 1vs8 n ARG 38 N -3.98 0.00 -2.38 1.57 3.00 -1.26 -5.04 116.66 108.57 1vs8 n ARG 38 Ca -0.02 0.16 -0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1vs8 n ARG 38 Cb 0.54 -0.73 0.00 0.00 0.00 0.00 0.00 32.46 32.27 1vs8 n ARG 38 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1vs8 n GLN 39 N -0.98 -0.76 0.14 -0.14 7.27 -1.26 -4.97 117.38 116.68 1vs8 n GLN 39 Ca 0.00 1.07 -0.09 0.00 0.07 0.00 0.00 57.00 58.05 1vs8 n GLN 39 Cb 0.00 -3.92 -0.05 0.00 2.41 0.00 0.00 30.24 28.68 1vs8 n GLN 39 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1vs8 h ARG 40 N 0.27 -0.49 0.00 3.69 9.65 -1.86 -3.45 114.38 122.19 1vs8 h ARG 40 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1vs8 h ARG 40 Cb 0.99 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1vs8 h ARG 40 CO 0.17 -0.33 0.00 0.41 2.80 0.00 0.00 179.97 183.02 1vs8 n GLY 41 N -1.29 0.68 0.68 2.80 0.00 -1.23 -4.78 105.19 102.05 1vs8 n GLY 41 Ca -0.06 -1.09 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 1vs8 n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vs8 n THR 42 N -0.69 0.00 0.40 2.61 -2.24 -1.26 -4.15 114.28 108.95 1vs8 n THR 42 Ca 0.00 -0.38 0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1vs8 n THR 42 Cb 0.00 0.23 -0.14 0.00 -2.10 0.00 0.00 70.33 68.31 1vs8 n THR 42 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vs8 n LYS 43 N -0.12 0.49 0.00 -0.78 5.02 -1.26 -3.87 118.16 117.64 1vs8 n LYS 43 Ca 0.00 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1vs8 n LYS 43 Cb 0.12 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1vs8 n LYS 43 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1vs8 n PHE 44 N -1.92 0.00 -1.71 2.13 7.35 -1.26 -2.31 117.46 119.74 1vs8 n PHE 44 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1vs8 n PHE 44 Cb 0.45 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.28 1vs8 n PHE 44 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 1vs8 n HIS 45 N 0.00 -4.45 -0.63 -5.13 -0.00 -1.26 -4.52 115.22 99.23 1vs8 n HIS 45 Ca 0.00 2.36 0.00 0.00 -0.00 0.00 0.00 57.72 60.08 1vs8 n HIS 45 Cb 0.00 -3.50 0.00 0.00 -0.00 0.00 0.00 29.99 26.49 1vs8 n HIS 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1vs8 n ALA 46 N -0.73 0.00 -1.90 1.57 0.00 -1.25 -4.31 120.51 113.89 1vs8 n ALA 46 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1vs8 n ALA 46 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1vs8 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs8 n GLY 47 N 0.00 -0.01 3.48 0.00 0.00 -1.18 0.41 105.19 107.89 1vs8 n GLY 47 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1vs8 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs8 n ALA 48 N -1.43 -1.27 -3.61 4.61 0.00 -1.23 -4.20 120.51 113.38 1vs8 n ALA 48 Ca -0.07 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 1vs8 n ALA 48 Cb 0.40 -1.82 -0.07 0.00 0.00 0.00 0.00 19.45 17.96 1vs8 n ALA 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1vs8 s ASN 49 N -0.91 -0.74 0.23 0.00 -0.87 -1.26 -2.20 114.94 109.19 1vs8 s ASN 49 Ca 0.63 1.41 -0.31 0.00 -1.57 0.00 0.00 52.86 53.01 1vs8 s ASN 49 Cb -0.61 1.41 -0.14 0.00 -0.02 0.00 0.00 41.25 41.89 1vs8 s ASN 49 CO 0.58 -0.24 1.39 0.52 -2.57 0.00 0.00 177.10 176.78 1vs8 n VAL 50 N 2.87 0.91 0.00 1.60 0.31 -1.26 -2.74 118.33 120.02 1vs8 n VAL 50 Ca -0.15 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1vs8 n VAL 50 Cb 0.56 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 1vs8 n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vs8 n GLY 51 N 2.18 0.92 0.00 2.92 0.00 -1.26 -4.59 105.19 105.36 1vs8 n GLY 51 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1vs8 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs8 n GLY 53 N 1.07 0.92 4.12 0.00 0.00 -1.11 -4.74 105.19 105.45 1vs8 n GLY 53 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1vs8 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs8 n ARG 54 N 7.68 -0.38 0.00 1.61 3.00 -1.26 -4.73 116.66 122.59 1vs8 n ARG 54 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 1vs8 n ARG 54 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 32.46 29.94 1vs8 n ARG 54 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1vs8 n ASP 55 N -2.14 -0.09 -0.63 0.55 2.03 0.17 -4.94 116.55 111.49 1vs8 n ASP 55 Ca -0.15 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1vs8 n ASP 55 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1vs8 n ASP 55 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1vs8 n HIS 56 N -0.68 -0.46 0.00 -0.67 -0.00 -1.26 -4.84 115.22 107.31 1vs8 n HIS 56 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1vs8 n HIS 56 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1vs8 n HIS 56 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1vs8 n THR 57 N 0.00 0.00 0.00 3.57 5.66 -1.26 -4.79 114.28 117.46 1vs8 n THR 57 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1vs8 n THR 57 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1vs8 n THR 57 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1vs8 n LEU 58 N 0.00 0.00 -4.19 1.09 7.94 -1.26 -4.38 117.00 116.20 1vs8 n LEU 58 Ca 0.00 0.00 -0.55 0.00 -1.11 0.00 0.00 56.01 54.35 1vs8 n LEU 58 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1vs8 n LEU 58 CO 0.00 0.00 0.53 0.49 -1.11 0.00 0.00 177.39 177.30 1vs8 n PHE 59 N 0.00 0.60 -1.06 1.96 3.72 -1.26 -3.14 117.46 118.29 1vs8 n PHE 59 Ca 0.00 0.99 0.00 0.00 -0.05 0.00 0.00 57.45 58.39 1vs8 n PHE 59 Cb 0.00 -1.95 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 1vs8 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vs8 n ALA 60 N 1.42 0.00 0.00 4.37 0.00 -1.26 -4.52 120.51 120.51 1vs8 n ALA 60 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1vs8 n ALA 60 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1vs8 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vs8 n LYS 61 N 0.00 0.00 0.00 0.00 4.76 -1.26 -3.63 118.16 118.02 1vs8 n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1vs8 n LYS 61 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1vs8 n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vs8 n ALA 62 N -1.27 0.00 -3.00 7.82 0.00 -1.26 -4.97 120.51 117.82 1vs8 n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vs8 n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vs8 n ALA 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vs8 n ASP 63 N -0.14 0.00 0.00 0.00 -0.08 -1.26 -4.90 116.55 110.17 1vs8 n ASP 63 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1vs8 n ASP 63 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1vs8 n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1vs8 n GLY 64 N 0.00 0.40 1.51 0.27 0.00 -1.26 -3.87 105.19 102.24 1vs8 n GLY 64 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1vs8 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs8 n LYS 65 N 0.00 -4.15 0.00 1.61 5.02 -1.25 -4.20 118.16 115.19 1vs8 n LYS 65 Ca 0.00 3.16 0.00 0.00 -2.02 0.00 0.00 58.31 59.45 1vs8 n LYS 65 Cb 0.00 -3.73 0.00 0.00 -0.02 0.00 0.00 35.03 31.28 1vs8 n LYS 65 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1vs8 n VAL 66 N -1.70 0.00 -1.97 -0.18 3.14 -1.26 -4.51 118.33 111.86 1vs8 n VAL 66 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 1vs8 n VAL 66 Cb 0.22 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.03 1vs8 n VAL 66 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1vs8 s LYS 67 N 0.00 2.96 0.00 1.45 2.47 -1.26 -3.50 119.74 121.86 1vs8 s LYS 67 Ca 0.00 1.65 0.00 0.00 -1.56 0.00 0.00 55.97 56.06 1vs8 s LYS 67 Cb 0.00 -1.95 0.00 0.00 -1.46 0.00 0.00 37.83 34.42 1vs8 s LYS 67 CO 0.00 -1.18 0.03 1.97 0.16 0.00 0.00 175.35 176.33 1vs8 n PHE 68 N -1.82 0.00 0.00 4.03 -1.74 -1.26 -4.34 117.46 112.34 1vs8 n PHE 68 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.01 1vs8 n PHE 68 Cb 0.51 0.04 0.00 0.00 1.52 0.00 0.00 39.48 41.55 1vs8 n PHE 68 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1vs8 n GLU 69 N 0.00 0.00 0.13 3.97 0.28 -1.24 -4.61 120.64 119.16 1vs8 n GLU 69 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1vs8 n GLU 69 Cb 0.29 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.11 1vs8 n GLU 69 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1vs8 h VAL 70 N 0.00 0.00 0.00 3.84 2.07 -1.96 -3.02 116.25 117.18 1vs8 h VAL 70 Ca 0.00 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.94 1vs8 h VAL 70 Cb 0.00 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1vs8 h VAL 70 CO 0.00 0.00 3.27 0.29 0.02 0.00 0.00 177.57 181.15 1vs8 n LYS 71 N -3.73 3.29 -1.18 1.57 4.76 -1.26 -4.88 118.16 116.74 1vs8 n LYS 71 Ca -0.05 -1.97 0.07 0.00 -2.87 0.00 0.00 58.31 53.49 1vs8 n LYS 71 Cb 0.21 -2.67 -0.04 0.00 -1.84 0.00 0.00 35.03 30.69 1vs8 n LYS 71 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vs8 n GLY 72 N 3.50 -3.50 0.00 0.72 0.00 -0.93 -3.10 105.19 101.88 1vs8 n GLY 72 Ca 0.70 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1vs8 n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vs8 n PRO 73 N -3.15 0.51 0.00 1.61 -0.02 -1.26 -3.71 135.00 128.98 1vs8 n PRO 73 Ca -0.04 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1vs8 n PRO 73 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1vs8 n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vs8 n LYS 74 N -1.05 3.99 0.02 -0.52 4.01 -1.26 -4.85 118.16 118.49 1vs8 n LYS 74 Ca 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 1vs8 n LYS 74 Cb 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.59 1vs8 n LYS 74 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1vs8 n ASN 75 N 0.00 -0.32 0.00 4.39 0.23 -1.26 -4.30 115.26 114.00 1vs8 n ASN 75 Ca 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 1vs8 n ASN 75 Cb 0.00 0.52 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 1vs8 n ASN 75 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1vs8 n ARG 76 N -2.30 0.00 0.00 -3.83 1.74 -1.26 -3.96 116.66 107.06 1vs8 n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1vs8 n ARG 76 Cb 0.00 -3.50 0.00 0.00 -1.02 0.00 0.00 32.46 27.94 1vs8 n ARG 76 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1vs8 n LYS 77 N -1.72 0.24 0.20 5.56 4.01 -1.26 -4.08 118.16 121.11 1vs8 n LYS 77 Ca 0.00 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.87 1vs8 n LYS 77 Cb 0.00 -1.30 0.39 0.00 -0.51 0.00 0.00 35.03 33.60 1vs8 n LYS 77 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 1vs8 h PHE 78 N 1.30 0.00 -3.81 2.13 3.57 -1.75 -3.40 116.94 114.98 1vs8 h PHE 78 Ca 0.00 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 61.01 1vs8 h PHE 78 Cb 0.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1vs8 h PHE 78 CO 0.00 0.00 0.17 0.96 -2.23 0.00 0.00 178.31 177.21 1vs8 s ILE 79 N -3.46 4.70 0.00 1.41 -4.36 -1.26 -4.70 121.20 113.53 1vs8 s ILE 79 Ca -0.02 0.84 0.00 0.00 -0.26 0.00 0.00 60.65 61.21 1vs8 s ILE 79 Cb 0.04 -3.70 0.00 0.00 1.25 0.00 0.00 42.46 40.05 1vs8 s ILE 79 CO 0.13 -0.47 0.00 -1.54 0.24 0.00 0.00 174.94 173.30 1vs8 n SER 80 N -1.11 0.00 -4.65 4.36 3.41 -1.26 -4.77 113.62 109.60 1vs8 n SER 80 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.36 1vs8 n SER 80 Cb 0.54 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.67 1vs8 n SER 80 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1vs8 s ILE 81 N 2.30 2.20 0.50 -1.33 2.07 -1.19 -4.20 121.20 121.56 1vs8 s ILE 81 Ca 0.00 0.06 0.28 0.00 -1.41 0.00 0.00 60.65 59.58 1vs8 s ILE 81 Cb 0.00 -2.47 0.46 0.00 0.13 0.00 0.00 42.46 40.58 1vs8 s ILE 81 CO 0.00 -0.08 1.87 1.05 -1.91 0.00 0.00 174.94 175.86 1vs8 h GLU 82 N -1.95 0.12 -6.28 3.50 4.11 -1.96 -3.34 114.58 108.78 1vs8 h GLU 82 Ca -0.54 -0.01 -0.58 0.00 0.07 0.00 0.00 59.36 58.30 1vs8 h GLU 82 Cb 1.32 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.45 1vs8 h GLU 82 CO 0.55 0.08 0.80 0.00 0.07 0.00 0.00 179.01 180.51 1vs8 s ALA 83 N -5.12 3.07 -1.44 1.06 0.00 -1.26 -5.20 121.76 112.88 1vs8 s ALA 83 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1vs8 s ALA 83 Cb 0.22 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1vs8 s ALA 83 CO 0.78 -2.54 0.36 -1.91 0.00 0.00 0.00 175.76 172.45