#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 s HIS 2 N 0.00 2.16 -0.05 0.00 5.04 -1.26 -4.70 115.29 116.48 1vs6 s HIS 2 Ca 0.00 0.47 0.08 0.00 -1.54 0.00 0.00 55.06 54.07 1vs6 s HIS 2 Cb 0.00 -4.36 0.12 0.00 0.04 0.00 0.00 32.58 28.38 1vs6 s HIS 2 CO 0.00 -2.09 1.00 1.63 -2.34 0.00 0.00 174.74 172.94 1vs6 n LYS 3 N 8.82 1.27 -2.98 2.88 4.01 -1.26 -5.02 118.16 125.88 1vs6 n LYS 3 Ca 0.13 -1.71 -0.41 0.00 -0.51 0.00 0.00 58.31 55.80 1vs6 n LYS 3 Cb 0.49 -1.04 -0.05 0.00 -0.51 0.00 0.00 35.03 33.93 1vs6 n LYS 3 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1vs6 s LYS 4 N -1.44 4.04 0.00 1.97 2.36 -1.26 -4.72 119.74 120.68 1vs6 s LYS 4 Ca 0.13 0.63 0.00 0.00 -2.55 0.00 0.00 55.97 54.19 1vs6 s LYS 4 Cb 0.12 -3.69 0.00 0.00 -1.05 0.00 0.00 37.83 33.20 1vs6 s LYS 4 CO 0.01 -0.58 0.00 0.00 1.55 0.00 0.00 175.35 176.33 1vs6 n ALA 5 N 6.03 0.31 -0.40 3.13 0.00 -1.26 -5.09 120.51 123.24 1vs6 n ALA 5 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1vs6 n ALA 5 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1vs6 n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 6 N 0.00 0.49 4.12 0.00 0.00 -1.26 -4.67 105.19 103.86 1vs6 n GLY 6 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1vs6 n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 7 N 0.00 0.00 3.48 -0.02 0.00 -1.26 -3.52 105.19 103.86 1vs6 n GLY 7 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1vs6 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vs6 n SER 8 N 0.00 -6.14 -2.87 1.61 7.64 -1.26 -4.96 113.62 107.64 1vs6 n SER 8 Ca 0.00 -0.60 -0.12 0.00 1.01 0.00 0.00 58.87 59.16 1vs6 n SER 8 Cb 0.00 -3.37 0.05 0.00 -1.01 0.00 0.00 64.21 59.87 1vs6 n SER 8 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1vs6 n THR 9 N -2.44 0.07 -4.02 0.44 -2.24 -1.23 -5.09 114.28 99.77 1vs6 n THR 9 Ca -0.16 -2.74 -0.31 0.00 -2.27 0.00 0.00 64.05 58.56 1vs6 n THR 9 Cb 0.60 0.72 -0.15 0.00 -2.10 0.00 0.00 70.33 69.41 1vs6 n THR 9 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1vs6 s ARG 10 N -1.09 1.82 0.00 -0.78 1.81 -1.26 -5.09 118.95 114.35 1vs6 s ARG 10 Ca 0.29 -1.50 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 1vs6 s ARG 10 Cb 0.35 -2.94 0.00 0.00 -0.45 0.00 0.00 34.95 31.91 1vs6 s ARG 10 CO -0.05 -0.73 0.00 0.27 -0.68 0.00 0.00 175.30 174.11 1vs6 n ASN 11 N 4.41 0.00 0.00 0.23 0.23 -1.26 -4.96 115.26 113.90 1vs6 n ASN 11 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 1vs6 n ASN 11 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 1vs6 n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vs6 n GLY 12 N 0.00 2.32 3.97 4.83 0.00 -1.26 -4.93 105.19 110.11 1vs6 n GLY 12 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1vs6 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs6 n ARG 13 N 0.00 -2.36 -1.00 1.61 5.12 -1.26 -4.92 116.66 113.85 1vs6 n ARG 13 Ca 0.00 0.34 -0.31 0.00 -1.93 0.00 0.00 57.85 55.95 1vs6 n ARG 13 Cb 0.00 -4.15 0.13 0.00 -1.16 0.00 0.00 32.46 27.27 1vs6 n ARG 13 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1vs6 s ASP 14 N -4.16 3.76 0.00 0.55 -0.00 -1.26 -5.06 116.67 110.50 1vs6 s ASP 14 Ca 0.12 2.00 0.00 0.00 -0.00 0.00 0.00 52.55 54.67 1vs6 s ASP 14 Cb -0.05 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.33 1vs6 s ASP 14 CO 0.91 -2.54 0.00 -1.54 -0.00 0.00 0.00 175.17 172.00 1vs6 n SER 15 N -3.84 0.00 0.00 0.27 3.41 -1.26 -5.05 113.62 107.15 1vs6 n SER 15 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1vs6 n SER 15 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1vs6 n SER 15 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1vs6 n GLU 16 N -0.35 0.00 -0.29 4.33 4.07 -1.26 -4.81 120.64 122.32 1vs6 n GLU 16 Ca 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 1vs6 n GLU 16 Cb 0.00 -0.32 0.26 0.00 -0.06 0.00 0.00 31.44 31.32 1vs6 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1vs6 h ALA 17 N 0.00 1.15 -1.06 4.31 0.00 -1.91 -3.44 119.26 118.30 1vs6 h ALA 17 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 54.91 54.84 1vs6 h ALA 17 Cb 0.00 0.37 0.14 0.00 0.00 0.00 0.00 17.79 18.30 1vs6 h ALA 17 CO 0.00 -0.47 -1.16 0.36 0.00 0.00 0.00 179.25 177.99 1vs6 n LYS 18 N -5.28 0.00 -3.18 0.00 -0.00 -1.26 -3.63 118.16 104.82 1vs6 n LYS 18 Ca 0.20 0.00 -0.46 0.00 -0.00 0.00 0.00 58.31 58.05 1vs6 n LYS 18 Cb 0.64 -0.58 -0.02 0.00 -0.00 0.00 0.00 35.03 35.07 1vs6 n LYS 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1vs6 s ARG 19 N -1.15 3.57 0.51 -1.58 0.52 -1.26 -4.35 118.95 115.20 1vs6 s ARG 19 Ca 0.23 -2.15 0.02 0.00 -0.52 0.00 0.00 55.73 53.31 1vs6 s ARG 19 Cb -0.08 -4.59 0.02 0.00 0.52 0.00 0.00 34.95 30.82 1vs6 s ARG 19 CO 0.46 -1.47 0.72 -0.48 0.02 0.00 0.00 175.30 174.54 1vs6 s LEU 20 N 1.19 3.42 -1.12 2.53 0.05 -1.26 -4.48 118.68 119.00 1vs6 s LEU 20 Ca 0.23 -0.03 -0.05 0.00 0.05 0.00 0.00 54.13 54.32 1vs6 s LEU 20 Cb -0.09 -2.88 0.01 0.00 -2.05 0.00 0.00 46.19 41.17 1vs6 s LEU 20 CO -0.08 -0.99 0.97 0.61 -0.55 0.00 0.00 176.35 176.31 1vs6 n GLY 21 N -2.20 -0.31 3.44 -3.48 0.00 -1.26 0.14 105.19 101.52 1vs6 n GLY 21 Ca 0.07 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1vs6 n GLY 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vs6 n VAL 22 N -4.37 0.00 -0.88 1.61 0.31 -1.26 -4.41 118.33 109.32 1vs6 n VAL 22 Ca -0.07 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1vs6 n VAL 22 Cb 0.58 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1vs6 n VAL 22 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1vs6 n LYS 23 N -3.08 0.00 -3.33 5.55 2.85 -1.26 -4.15 118.16 114.74 1vs6 n LYS 23 Ca 0.05 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.84 1vs6 n LYS 23 Cb 0.56 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.92 1vs6 n LYS 23 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1vs6 s ARG 24 N 0.00 3.68 1.02 -1.58 1.70 -1.26 -4.95 118.95 117.56 1vs6 s ARG 24 Ca 0.00 -2.55 -0.17 0.00 -0.47 0.00 0.00 55.73 52.54 1vs6 s ARG 24 Cb 0.00 -4.45 0.26 0.00 -0.57 0.00 0.00 34.95 30.19 1vs6 s ARG 24 CO 0.00 -1.29 0.83 1.19 -1.08 0.00 0.00 175.30 174.95 1vs6 n PHE 25 N 3.85 -3.65 0.22 5.89 3.01 -1.24 -4.75 117.46 120.79 1vs6 n PHE 25 Ca 0.15 -0.76 0.06 0.00 1.01 0.00 0.00 57.45 57.91 1vs6 n PHE 25 Cb 0.46 -0.93 0.51 0.00 -0.01 0.00 0.00 39.48 39.52 1vs6 n PHE 25 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1vs6 h GLY 26 N -2.45 0.00 0.00 1.37 0.00 -1.95 -3.35 103.07 96.69 1vs6 h GLY 26 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1vs6 h GLY 26 CO 0.21 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.36 1vs6 n GLY 27 N -0.95 0.49 0.30 4.60 0.00 -1.26 -4.02 105.19 104.36 1vs6 n GLY 27 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1vs6 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vs6 n GLU 28 N 0.00 -0.80 0.00 1.61 4.07 -1.26 -4.50 120.64 119.75 1vs6 n GLU 28 Ca 0.00 0.62 0.00 0.00 -0.06 0.00 0.00 57.16 57.72 1vs6 n GLU 28 Cb 0.00 -0.75 0.00 0.00 -0.06 0.00 0.00 31.44 30.63 1vs6 n GLU 28 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1vs6 n SER 29 N -1.49 0.90 -4.68 4.31 7.64 -1.26 -4.45 113.62 114.58 1vs6 n SER 29 Ca 0.00 -1.22 -0.30 0.00 1.01 0.00 0.00 58.87 58.36 1vs6 n SER 29 Cb 0.06 -0.30 0.15 0.00 -1.01 0.00 0.00 64.21 63.11 1vs6 n SER 29 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1vs6 s VAL 30 N -0.67 2.50 0.00 0.44 1.01 -1.26 -4.86 120.40 117.56 1vs6 s VAL 30 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1vs6 s VAL 30 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1vs6 s VAL 30 CO 0.00 -0.21 0.42 0.18 0.00 0.00 0.00 175.10 175.48 1vs6 n LEU 31 N -4.08 0.66 -2.57 3.92 4.77 -1.26 -4.49 117.00 113.95 1vs6 n LEU 31 Ca 0.09 0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 1vs6 n LEU 31 Cb 0.53 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1vs6 n LEU 31 CO 0.53 -0.05 -0.61 0.00 -1.33 0.00 0.00 177.39 175.93 1vs6 n ALA 32 N -0.65 -3.65 0.00 -1.18 0.00 -1.26 -4.39 120.51 109.38 1vs6 n ALA 32 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 53.44 55.36 1vs6 n ALA 32 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 19.45 15.70 1vs6 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 33 N 1.40 1.12 3.74 0.00 0.00 0.37 -4.56 105.19 107.27 1vs6 n GLY 33 Ca -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1vs6 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vs6 s SER 34 N -1.21 4.80 0.00 1.61 0.15 -1.26 -3.73 113.70 114.06 1vs6 s SER 34 Ca 0.00 2.31 0.00 0.00 0.70 0.00 0.00 55.95 58.96 1vs6 s SER 34 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1vs6 s SER 34 CO 0.00 -1.85 0.00 0.00 1.20 0.00 0.00 173.24 172.59 1vs6 n ILE 35 N -2.15 0.00 1.37 6.45 0.13 -1.24 -4.07 119.36 119.86 1vs6 n ILE 35 Ca 0.13 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.78 1vs6 n ILE 35 Cb 0.50 -0.02 0.00 0.00 -0.84 0.00 0.00 39.64 39.28 1vs6 n ILE 35 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1vs6 n ILE 36 N -0.22 0.00 0.00 9.51 5.41 -1.26 -3.62 119.36 129.17 1vs6 n ILE 36 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1vs6 n ILE 36 Cb 0.00 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 1vs6 n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1vs6 n VAL 37 N -0.22 0.00 0.00 1.39 0.31 -1.26 -4.80 118.33 113.74 1vs6 n VAL 37 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vs6 n VAL 37 Cb 0.12 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1vs6 n VAL 37 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vs6 n ARG 38 N 0.00 0.00 -1.44 5.55 3.00 -1.26 -4.89 116.66 117.62 1vs6 n ARG 38 Ca 0.00 0.16 0.19 0.00 -0.00 0.00 0.00 57.85 58.20 1vs6 n ARG 38 Cb 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 32.46 32.00 1vs6 n ARG 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1vs6 n GLN 39 N -0.51 -3.04 0.00 -0.14 6.02 -1.26 -5.00 117.38 113.45 1vs6 n GLN 39 Ca 0.00 2.19 0.00 0.00 -0.01 0.00 0.00 57.00 59.18 1vs6 n GLN 39 Cb 0.00 -3.66 0.00 0.00 1.02 0.00 0.00 30.24 27.60 1vs6 n GLN 39 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1vs6 n ARG 40 N -4.26 0.00 -1.53 -1.09 -4.01 -1.26 -5.00 116.66 99.51 1vs6 n ARG 40 Ca -0.02 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.37 1vs6 n ARG 40 Cb 0.68 0.00 0.01 0.00 -3.04 0.00 0.00 32.46 30.11 1vs6 n ARG 40 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1vs6 n GLY 41 N 0.00 -0.86 2.00 2.89 0.00 -1.26 -4.41 105.19 103.54 1vs6 n GLY 41 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1vs6 n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1vs6 n THR 42 N -0.62 0.00 -4.91 2.61 -1.04 -1.26 -3.87 114.28 105.19 1vs6 n THR 42 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1vs6 n THR 42 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 1vs6 n THR 42 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vs6 n LYS 43 N -2.93 0.00 -1.45 -2.82 4.01 -1.26 -1.26 118.16 112.44 1vs6 n LYS 43 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 1vs6 n LYS 43 Cb 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.39 1vs6 n LYS 43 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1vs6 n PHE 44 N -0.78 0.46 -2.23 2.13 -0.00 -1.26 -0.98 117.46 114.80 1vs6 n PHE 44 Ca 0.00 -0.02 -0.42 0.00 -0.00 0.00 0.00 57.45 57.00 1vs6 n PHE 44 Cb 0.00 -1.39 -0.03 0.00 -0.00 0.00 0.00 39.48 38.06 1vs6 n PHE 44 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1vs6 s HIS 45 N 6.55 2.57 -0.17 -5.13 -3.43 -1.26 0.18 115.29 114.60 1vs6 s HIS 45 Ca 0.95 0.69 -0.04 0.00 -0.80 0.00 0.00 55.06 55.86 1vs6 s HIS 45 Cb -0.41 -3.68 -0.09 0.00 -1.43 0.00 0.00 32.58 26.97 1vs6 s HIS 45 CO 0.29 -2.60 -0.18 0.00 -2.00 0.00 0.00 174.74 170.25 1vs6 n ALA 46 N 6.41 1.77 0.00 -1.38 0.00 -1.26 -4.72 120.51 121.33 1vs6 n ALA 46 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1vs6 n ALA 46 Cb 0.44 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1vs6 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 47 N 2.30 4.14 3.59 0.00 0.00 -0.97 -3.26 105.19 110.99 1vs6 n GLY 47 Ca -0.31 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 1vs6 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs6 s ALA 48 N -1.94 -1.97 0.00 4.61 0.00 -1.26 -2.03 121.76 119.16 1vs6 s ALA 48 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1vs6 s ALA 48 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1vs6 s ALA 48 CO 0.00 -0.76 0.00 0.09 0.00 0.00 0.00 175.76 175.09 1vs6 n ASN 49 N -0.25 0.00 0.00 0.00 3.02 -1.26 0.10 115.26 116.87 1vs6 n ASN 49 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1vs6 n ASN 49 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1vs6 n ASN 49 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1vs6 n VAL 50 N 0.00 0.00 0.00 2.41 3.14 -1.26 -4.90 118.33 117.72 1vs6 n VAL 50 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vs6 n VAL 50 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1vs6 n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vs6 n GLY 51 N -0.60 1.40 0.00 7.55 0.00 -1.26 -3.89 105.19 108.39 1vs6 n GLY 51 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1vs6 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs6 n GLY 53 N 3.14 0.27 3.20 0.00 0.00 -1.25 -4.84 105.19 105.71 1vs6 n GLY 53 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1vs6 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs6 n ARG 54 N 0.00 -2.84 -1.69 1.61 3.00 -1.23 -4.74 116.66 110.76 1vs6 n ARG 54 Ca 0.00 0.83 -0.43 0.00 -0.01 0.00 0.00 57.85 58.24 1vs6 n ARG 54 Cb 0.00 -5.66 -0.01 0.00 0.00 0.00 0.00 32.46 26.79 1vs6 n ARG 54 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1vs6 n ASP 55 N -3.13 2.72 -4.20 0.55 -0.08 -0.86 -4.74 116.55 106.81 1vs6 n ASP 55 Ca -0.10 1.19 -0.40 0.00 -1.51 0.00 0.00 54.79 53.97 1vs6 n ASP 55 Cb 0.62 -1.47 -0.09 0.00 2.34 0.00 0.00 41.12 42.52 1vs6 n ASP 55 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 1vs6 s HIS 56 N -0.90 3.45 -0.04 -0.67 5.65 -1.23 -2.29 115.29 119.26 1vs6 s HIS 56 Ca 0.58 -1.95 -0.00 0.00 0.25 0.00 0.00 55.06 53.93 1vs6 s HIS 56 Cb -0.59 -3.45 -0.00 0.00 -1.18 0.00 0.00 32.58 27.36 1vs6 s HIS 56 CO 0.60 -0.99 0.01 1.15 -0.65 0.00 0.00 174.74 174.85 1vs6 h THR 57 N 6.17 0.00 0.00 0.89 2.02 -1.84 -3.46 112.91 116.70 1vs6 h THR 57 Ca -0.20 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1vs6 h THR 57 Cb 1.07 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1vs6 h THR 57 CO 0.84 0.00 0.00 -0.11 0.37 0.00 0.00 175.52 176.62 1vs6 n LEU 58 N -3.20 0.00 -4.29 2.58 7.94 -1.26 -4.56 117.00 114.21 1vs6 n LEU 58 Ca -0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 1vs6 n LEU 58 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 1vs6 n LEU 58 CO 0.00 0.00 -0.39 -0.36 -1.11 0.00 0.00 177.39 175.53 1vs6 s PHE 59 N 0.00 2.97 0.27 1.96 0.40 -1.26 -3.41 117.98 118.91 1vs6 s PHE 59 Ca 0.00 -1.03 -0.18 0.00 -0.60 0.00 0.00 56.93 55.13 1vs6 s PHE 59 Cb 0.00 -2.10 0.07 0.00 0.51 0.00 0.00 43.02 41.49 1vs6 s PHE 59 CO 0.00 -0.58 0.88 0.00 0.70 0.00 0.00 175.22 176.23 1vs6 n ALA 60 N 4.78 -2.17 -0.86 5.36 0.00 -1.25 -3.70 120.51 122.68 1vs6 n ALA 60 Ca -0.18 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1vs6 n ALA 60 Cb 0.50 0.75 0.00 0.00 0.00 0.00 0.00 19.45 20.70 1vs6 n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vs6 n LYS 61 N -0.61 0.00 -0.06 0.00 3.00 -1.26 -4.57 118.16 114.66 1vs6 n LYS 61 Ca -0.05 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1vs6 n LYS 61 Cb 0.56 -0.62 0.00 0.00 0.00 0.00 0.00 35.03 34.98 1vs6 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vs6 n ALA 62 N -0.71 0.68 -2.65 3.14 0.00 -1.26 -4.92 120.51 114.77 1vs6 n ALA 62 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1vs6 n ALA 62 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1vs6 n ALA 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vs6 n ASP 63 N 0.00 -1.10 0.00 0.00 2.03 -1.26 -4.67 116.55 111.54 1vs6 n ASP 63 Ca 0.00 -1.03 -0.13 0.00 0.52 0.00 0.00 54.79 54.15 1vs6 n ASP 63 Cb 0.28 0.56 -0.08 0.00 -0.72 0.00 0.00 41.12 41.16 1vs6 n ASP 63 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1vs6 h GLY 64 N 3.61 -1.18 -4.63 0.27 0.00 -1.79 -3.41 103.07 95.94 1vs6 h GLY 64 Ca -0.12 0.68 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1vs6 h GLY 64 CO -0.19 -0.27 -0.99 1.17 0.00 0.00 0.00 176.54 176.26 1vs6 n LYS 65 N -4.91 -5.44 0.00 4.80 0.00 -0.15 -4.26 118.16 108.21 1vs6 n LYS 65 Ca -0.05 3.90 0.00 0.00 0.00 0.00 0.00 58.31 62.16 1vs6 n LYS 65 Cb 0.31 -4.63 0.00 0.00 0.00 0.00 0.00 35.03 30.71 1vs6 n LYS 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1vs6 n VAL 66 N 1.89 0.00 0.00 3.15 3.14 -1.26 -4.13 118.33 121.12 1vs6 n VAL 66 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vs6 n VAL 66 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1vs6 n VAL 66 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1vs6 n LYS 67 N 0.00 0.00 0.00 1.45 5.02 -1.24 -4.14 118.16 119.25 1vs6 n LYS 67 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vs6 n LYS 67 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1vs6 n LYS 67 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1vs6 n PHE 68 N 0.83 0.00 0.00 2.13 7.35 -1.26 -4.50 117.46 122.01 1vs6 n PHE 68 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1vs6 n PHE 68 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1vs6 n PHE 68 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1vs6 n GLU 69 N 0.00 2.90 -0.17 -4.13 0.00 -1.26 -4.54 120.64 113.44 1vs6 n GLU 69 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 1vs6 n GLU 69 Cb 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 31.44 30.56 1vs6 n GLU 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1vs6 h VAL 70 N 0.00 0.80 -2.95 3.84 2.07 -1.97 -3.41 116.25 114.62 1vs6 h VAL 70 Ca 0.00 -0.12 -0.62 0.00 0.82 0.00 0.00 66.70 66.79 1vs6 h VAL 70 Cb 0.90 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1vs6 h VAL 70 CO 0.00 0.06 -0.30 -0.75 0.02 0.00 0.00 177.57 176.60 1vs6 s LYS 71 N -6.13 3.72 -0.32 1.57 2.47 -1.26 -4.94 119.74 114.86 1vs6 s LYS 71 Ca -0.13 0.16 -0.12 0.00 -1.56 0.00 0.00 55.97 54.32 1vs6 s LYS 71 Cb 0.15 -3.12 -0.08 0.00 -1.46 0.00 0.00 37.83 33.32 1vs6 s LYS 71 CO 0.73 0.66 0.93 0.41 0.16 0.00 0.00 175.35 178.24 1vs6 n GLY 72 N 1.45 -0.15 3.56 5.54 0.00 0.29 -4.59 105.19 111.28 1vs6 n GLY 72 Ca -0.13 0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.86 1vs6 n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vs6 n PRO 73 N 2.97 1.12 0.00 1.61 -0.02 -1.26 -4.46 135.00 134.95 1vs6 n PRO 73 Ca 0.23 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1vs6 n PRO 73 Cb 0.01 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1vs6 n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vs6 n LYS 74 N 0.71 0.00 0.00 -0.52 4.76 -1.25 -4.99 118.16 116.87 1vs6 n LYS 74 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1vs6 n LYS 74 Cb 0.32 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 1vs6 n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1vs6 n ASN 75 N -3.10 0.00 -1.36 4.39 5.03 -0.39 -4.70 115.26 115.13 1vs6 n ASN 75 Ca 0.00 0.00 0.17 0.00 0.87 0.00 0.00 54.58 55.62 1vs6 n ASN 75 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.68 1vs6 n ASN 75 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1vs6 n ARG 76 N 0.00 -3.10 0.00 3.52 0.63 0.48 -4.66 116.66 113.53 1vs6 n ARG 76 Ca 0.00 2.49 0.00 0.00 -0.92 0.00 0.00 57.85 59.42 1vs6 n ARG 76 Cb 0.00 -3.64 0.00 0.00 0.45 0.00 0.00 32.46 29.27 1vs6 n ARG 76 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1vs6 n LYS 77 N -4.20 0.00 0.00 -0.14 3.00 -1.26 -4.95 118.16 110.61 1vs6 n LYS 77 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1vs6 n LYS 77 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 1vs6 n LYS 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1vs6 n PHE 78 N 0.00 0.00 -3.06 5.64 7.35 -1.26 -4.90 117.46 121.23 1vs6 n PHE 78 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1vs6 n PHE 78 Cb 0.00 0.01 -0.06 0.00 0.35 0.00 0.00 39.48 39.78 1vs6 n PHE 78 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1vs6 s ILE 79 N 0.00 4.89 0.00 -2.13 1.01 -1.26 -1.62 121.20 122.09 1vs6 s ILE 79 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1vs6 s ILE 79 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1vs6 s ILE 79 CO 0.00 -0.17 0.00 -1.20 0.00 0.00 0.00 174.94 173.57 1vs6 n SER 80 N 5.98 0.61 0.00 3.58 7.64 -1.25 -4.86 113.62 125.32 1vs6 n SER 80 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1vs6 n SER 80 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1vs6 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vs6 n ILE 81 N -2.27 0.00 0.00 0.44 0.13 -1.22 -3.80 119.36 112.65 1vs6 n ILE 81 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1vs6 n ILE 81 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.96 1vs6 n ILE 81 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1vs6 n GLU 82 N 0.00 0.00 -3.82 9.51 -0.58 -1.26 -5.09 120.64 119.40 1vs6 n GLU 82 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 1vs6 n GLU 82 Cb 0.00 -0.74 0.01 0.00 -0.57 0.00 0.00 31.44 30.14 1vs6 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vs6 s ALA 83 N -1.99 -2.33 0.00 0.62 0.00 -1.26 -5.03 121.76 111.77 1vs6 s ALA 83 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1vs6 s ALA 83 Cb 0.00 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1vs6 s ALA 83 CO 0.00 -1.11 0.00 -1.91 0.00 0.00 0.00 175.76 172.74