#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 n PHE 2 N 0.00 -0.17 0.00 2.03 3.72 -1.26 -3.84 117.46 117.95 1vs6 n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1vs6 n PHE 2 Cb 0.00 0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1vs6 n PHE 2 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1vs6 n THR 3 N 0.00 0.00 -3.15 4.37 -2.24 -1.26 -4.72 114.28 107.27 1vs6 n THR 3 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1vs6 n THR 3 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1vs6 n THR 3 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1vs6 n ILE 4 N -0.19 -0.75 -2.17 2.28 5.41 0.45 -4.76 119.36 119.63 1vs6 n ILE 4 Ca 0.00 -2.73 -0.41 0.00 1.00 0.00 0.00 62.75 60.61 1vs6 n ILE 4 Cb 0.00 -0.78 -0.03 0.00 -0.71 0.00 0.00 39.64 38.13 1vs6 n ILE 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1vs6 s ASN 5 N -0.02 6.85 0.27 4.38 4.22 -1.26 0.52 114.94 129.91 1vs6 s ASN 5 Ca 0.32 2.51 -0.18 0.00 -2.14 0.00 0.00 52.86 53.38 1vs6 s ASN 5 Cb 0.06 -2.62 0.07 0.00 1.28 0.00 0.00 41.25 40.03 1vs6 s ASN 5 CO -0.15 -0.53 0.88 0.00 -2.04 0.00 0.00 177.10 175.25 1vs6 n ALA 6 N 2.04 -2.16 -4.41 3.54 0.00 -0.10 -4.40 120.51 115.03 1vs6 n ALA 6 Ca 0.04 -1.09 -0.20 0.00 0.00 0.00 0.00 53.44 52.19 1vs6 n ALA 6 Cb 0.42 0.75 -0.04 0.00 0.00 0.00 0.00 19.45 20.58 1vs6 n ALA 6 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vs6 n GLU 7 N -0.61 1.13 -3.38 0.00 -0.58 -0.83 -4.44 120.64 111.93 1vs6 n GLU 7 Ca -0.05 -2.30 -0.37 0.00 -0.42 0.00 0.00 57.16 54.01 1vs6 n GLU 7 Cb 0.56 0.73 -0.06 0.00 -0.57 0.00 0.00 31.44 32.10 1vs6 n GLU 7 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1vs6 s VAL 8 N -2.22 4.88 0.08 2.62 1.01 -1.26 -2.72 120.40 122.78 1vs6 s VAL 8 Ca 0.02 0.95 -0.31 0.00 0.00 0.00 0.00 61.98 62.64 1vs6 s VAL 8 Cb 0.00 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1vs6 s VAL 8 CO 0.02 0.46 1.69 -0.60 0.00 0.00 0.00 175.10 176.66 1vs6 s ARG 9 N -1.39 4.19 0.00 2.72 3.00 -1.19 -4.75 118.95 121.52 1vs6 s ARG 9 Ca 0.30 2.38 0.00 0.00 -1.00 0.00 0.00 55.73 57.41 1vs6 s ARG 9 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 34.95 31.17 1vs6 s ARG 9 CO 0.17 -0.76 0.07 1.17 0.00 0.00 0.00 175.30 175.96 1vs6 n LYS 10 N 5.64 0.00 -2.83 5.12 4.81 -1.26 -4.98 118.16 124.66 1vs6 n LYS 10 Ca 0.16 0.37 -0.21 0.00 -0.87 0.00 0.00 58.31 57.76 1vs6 n LYS 10 Cb 0.40 -0.91 0.07 0.00 0.02 0.00 0.00 35.03 34.62 1vs6 n LYS 10 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1vs6 s GLU 11 N -0.88 2.13 -0.01 1.64 2.02 -1.26 -5.13 118.70 117.21 1vs6 s GLU 11 Ca 0.00 -1.34 0.02 0.00 0.02 0.00 0.00 54.97 53.67 1vs6 s GLU 11 Cb 0.00 -2.53 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 1vs6 s GLU 11 CO 0.00 -1.02 -0.08 -1.14 0.02 0.00 0.00 175.26 173.04 1vs6 s GLN 12 N -4.83 0.65 0.00 1.61 2.00 -1.26 -4.96 119.66 112.87 1vs6 s GLN 12 Ca 0.63 -0.27 0.00 0.00 -2.00 0.00 0.00 55.36 53.72 1vs6 s GLN 12 Cb -0.06 -0.63 0.00 0.00 0.80 0.00 0.00 33.01 33.12 1vs6 s GLN 12 CO 0.40 0.15 0.00 0.41 -0.50 0.00 0.00 175.29 175.76 1vs6 n GLY 13 N 2.95 1.99 0.28 2.59 0.00 -1.26 -4.77 105.19 106.97 1vs6 n GLY 13 Ca -0.14 -2.10 -0.02 0.00 0.00 0.00 0.00 46.02 43.77 1vs6 n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vs6 h LYS 14 N 0.00 0.78 0.00 1.61 3.64 -1.99 -2.96 116.57 117.65 1vs6 h LYS 14 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1vs6 h LYS 14 Cb 0.00 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1vs6 h LYS 14 CO 0.00 0.52 0.00 0.41 -2.27 0.00 0.00 179.45 178.11 1vs6 n GLY 15 N -1.30 -2.66 0.32 5.01 0.00 -1.26 -1.74 105.19 103.55 1vs6 n GLY 15 Ca 0.09 0.51 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 1vs6 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs6 h ALA 16 N -0.92 0.90 -0.44 4.61 0.00 -1.86 -3.31 119.26 118.25 1vs6 h ALA 16 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1vs6 h ALA 16 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 1vs6 h ALA 16 CO 0.00 0.64 -0.30 0.77 0.00 0.00 0.00 179.25 180.36 1vs6 h SER 17 N 1.04 -1.08 -1.01 0.00 0.02 -1.16 0.20 113.55 111.55 1vs6 h SER 17 Ca 0.21 0.16 0.24 0.00 -0.84 0.00 0.00 61.79 61.56 1vs6 h SER 17 Cb 0.40 0.47 -0.11 0.00 0.14 0.00 0.00 62.40 63.30 1vs6 h SER 17 CO 0.01 -0.14 0.63 0.03 -1.14 0.00 0.00 176.83 176.21 1vs6 h ARG 18 N -0.05 0.52 -0.34 3.45 3.08 -1.54 0.38 114.38 119.88 1vs6 h ARG 18 Ca 0.07 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1vs6 h ARG 18 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1vs6 h ARG 18 CO -0.44 0.35 0.06 0.00 -1.07 0.00 0.00 179.97 178.86 1vs6 h ARG 19 N 0.54 0.56 -0.54 0.04 3.08 -0.81 -2.58 114.38 114.68 1vs6 h ARG 19 Ca 0.61 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.54 1vs6 h ARG 19 Cb 1.27 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 1vs6 h ARG 19 CO -0.38 0.64 0.36 -0.07 -1.07 0.00 0.00 179.97 179.45 1vs6 h LEU 20 N 0.40 0.54 -0.64 3.04 3.38 0.11 -1.60 115.31 120.54 1vs6 h LEU 20 Ca 0.10 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1vs6 h LEU 20 Cb 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1vs6 h LEU 20 CO 0.01 0.38 -0.57 0.03 0.09 0.00 0.00 178.44 178.38 1vs6 h ARG 21 N 0.63 0.33 0.00 1.13 3.08 -1.03 -2.08 114.38 116.45 1vs6 h ARG 21 Ca 0.21 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1vs6 h ARG 21 Cb 0.07 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1vs6 h ARG 21 CO -0.05 0.81 -0.13 0.00 -1.07 0.00 0.00 179.97 179.52 1vs6 h ALA 22 N 1.15 1.35 -0.95 0.04 0.00 -0.90 -1.90 119.26 118.04 1vs6 h ALA 22 Ca 0.00 -0.12 -0.61 0.00 0.00 0.00 0.00 54.91 54.18 1vs6 h ALA 22 Cb 1.07 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.54 1vs6 h ALA 22 CO 0.09 0.16 0.65 0.00 0.00 0.00 0.00 179.25 180.15 1vs6 n ALA 23 N -2.32 5.99 0.00 0.00 0.00 -1.02 -4.92 120.51 118.23 1vs6 n ALA 23 Ca -0.02 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.06 1vs6 n ALA 23 Cb 0.24 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1vs6 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vs6 n ASN 24 N -0.96 0.00 -4.25 0.00 4.13 -0.72 -4.91 115.26 108.55 1vs6 n ASN 24 Ca 0.59 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.52 1vs6 n ASN 24 Cb 0.92 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 39.30 1vs6 n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1vs6 n LYS 25 N 0.00 -1.07 -3.46 3.52 5.02 -0.81 -2.74 118.16 118.62 1vs6 n LYS 25 Ca 0.00 -0.29 -0.13 0.00 -2.02 0.00 0.00 58.31 55.87 1vs6 n LYS 25 Cb 0.00 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 1vs6 n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1vs6 s PHE 26 N -2.23 -0.54 1.05 2.13 -0.12 -0.70 -2.39 117.98 115.19 1vs6 s PHE 26 Ca 0.53 0.50 -0.12 0.00 -0.05 0.00 0.00 56.93 57.78 1vs6 s PHE 26 Cb -0.11 0.52 0.22 0.00 -0.63 0.00 0.00 43.02 43.02 1vs6 s PHE 26 CO 0.67 -0.75 1.07 -1.25 -0.05 0.00 0.00 175.22 174.91 1vs6 s PRO 27 N -3.05 0.03 0.00 1.99 0.04 -1.22 -2.64 135.00 130.16 1vs6 s PRO 27 Ca -0.01 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1vs6 s PRO 27 Cb -0.01 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1vs6 s PRO 27 CO -0.07 -3.09 0.00 0.00 0.04 0.00 0.00 177.00 173.88 1vs6 n ALA 28 N -4.47 0.00 -3.17 8.56 0.00 -1.01 -4.02 120.51 116.40 1vs6 n ALA 28 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 1vs6 n ALA 28 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 1vs6 n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1vs6 s ILE 29 N -2.00 0.07 -0.15 0.00 -4.36 -1.24 -1.27 121.20 112.24 1vs6 s ILE 29 Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.84 1vs6 s ILE 29 Cb 0.00 -0.66 0.03 0.00 1.25 0.00 0.00 42.46 43.08 1vs6 s ILE 29 CO 0.00 -0.31 -0.13 -0.63 0.24 0.00 0.00 174.94 174.12 1vs6 s ILE 30 N -1.59 1.50 0.10 8.37 1.01 -0.41 -2.30 121.20 127.88 1vs6 s ILE 30 Ca -0.12 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 1vs6 s ILE 30 Cb -0.05 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1vs6 s ILE 30 CO 0.02 0.41 0.22 -0.72 0.00 0.00 0.00 174.94 174.87 1vs6 s TYR 31 N 1.51 0.15 0.00 3.97 -0.85 -1.22 0.33 117.35 121.24 1vs6 s TYR 31 Ca 0.04 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 1vs6 s TYR 31 Cb -0.13 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.18 1vs6 s TYR 31 CO -0.10 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 173.76 1vs6 n GLY 32 N -0.09 3.50 0.59 5.49 0.00 -1.26 -2.02 105.19 111.40 1vs6 n GLY 32 Ca -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1vs6 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 33 N 0.00 -3.23 0.35 -0.02 0.00 -1.26 -4.31 105.19 96.73 1vs6 n GLY 33 Ca 0.00 -1.90 0.16 0.00 0.00 0.00 0.00 46.02 44.28 1vs6 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vs6 h LYS 34 N 0.00 0.00 -6.40 1.61 1.57 -2.03 -3.40 116.57 107.92 1vs6 h LYS 34 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1vs6 h LYS 34 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1vs6 h LYS 34 CO 0.00 0.00 0.62 -1.83 -0.57 0.00 0.00 179.45 177.67 1vs6 s GLU 35 N -4.25 4.40 0.71 3.15 1.03 -1.26 -5.02 118.70 117.45 1vs6 s GLU 35 Ca -0.03 1.72 -0.11 0.00 0.03 0.00 0.00 54.97 56.57 1vs6 s GLU 35 Cb 0.10 -3.45 0.02 0.00 -0.80 0.00 0.00 34.13 30.00 1vs6 s GLU 35 CO 0.35 -0.34 1.07 0.00 -1.33 0.00 0.00 175.26 175.01 1vs6 s ALA 36 N 1.60 2.59 0.73 -0.84 0.00 -1.26 -4.00 121.76 120.57 1vs6 s ALA 36 Ca 0.57 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 1vs6 s ALA 36 Cb -0.27 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1vs6 s ALA 36 CO 0.26 -1.34 0.32 -2.30 0.00 0.00 0.00 175.76 172.69 1vs6 n PRO 37 N -3.22 0.20 -3.41 0.00 -0.02 -1.26 -4.80 135.00 122.50 1vs6 n PRO 37 Ca 0.08 0.10 -0.21 0.00 -2.02 0.00 0.00 63.50 61.45 1vs6 n PRO 37 Cb 0.53 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.26 1vs6 n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1vs6 s LEU 38 N 1.15 0.18 0.09 2.45 2.96 0.15 -4.93 118.68 120.72 1vs6 s LEU 38 Ca 0.62 -1.44 -0.30 0.00 -0.22 0.00 0.00 54.13 52.78 1vs6 s LEU 38 Cb -0.35 0.24 -0.06 0.00 0.50 0.00 0.00 46.19 46.52 1vs6 s LEU 38 CO 0.62 -0.33 1.14 0.00 -1.32 0.00 0.00 176.35 176.46 1vs6 s ALA 39 N 1.70 3.35 0.20 5.97 0.00 -1.26 -1.29 121.76 130.43 1vs6 s ALA 39 Ca 0.14 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1vs6 s ALA 39 Cb -0.17 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1vs6 s ALA 39 CO -0.15 -0.34 0.09 0.44 0.00 0.00 0.00 175.76 175.80 1vs6 n ILE 40 N 3.48 0.00 -3.70 0.00 -0.00 -0.40 -3.18 119.36 115.57 1vs6 n ILE 40 Ca 0.07 -1.21 -0.15 0.00 -0.00 0.00 0.00 62.75 61.47 1vs6 n ILE 40 Cb 0.47 0.47 -0.14 0.00 -0.00 0.00 0.00 39.64 40.44 1vs6 n ILE 40 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 1vs6 s GLU 41 N -2.76 0.10 0.17 6.28 -1.05 -1.10 -2.40 118.70 117.93 1vs6 s GLU 41 Ca 0.12 0.55 0.10 0.00 -0.15 0.00 0.00 54.97 55.60 1vs6 s GLU 41 Cb 0.01 -0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.48 1vs6 s GLU 41 CO 0.09 -0.25 -0.18 -0.51 0.95 0.00 0.00 175.26 175.36 1vs6 s LEU 42 N 1.89 2.66 0.63 1.83 1.43 -1.08 -1.96 118.68 124.08 1vs6 s LEU 42 Ca -0.02 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 1vs6 s LEU 42 Cb -0.12 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1vs6 s LEU 42 CO -0.07 0.13 1.17 -0.62 0.23 0.00 0.00 176.35 177.19 1vs6 s ASP 43 N -2.57 5.07 0.00 2.29 -1.08 -1.26 -1.71 116.67 117.40 1vs6 s ASP 43 Ca 0.21 2.26 0.00 0.00 -0.52 0.00 0.00 52.55 54.50 1vs6 s ASP 43 Cb -0.09 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1vs6 s ASP 43 CO 0.11 -1.67 0.10 1.57 0.52 0.00 0.00 175.17 175.81 1vs6 n HIS 44 N -1.94 0.00 -0.34 -5.34 -0.00 -1.11 -3.07 115.22 103.43 1vs6 n HIS 44 Ca 0.13 0.00 0.30 0.00 -0.00 0.00 0.00 57.72 58.15 1vs6 n HIS 44 Cb 0.50 -0.26 0.46 0.00 -0.00 0.00 0.00 29.99 30.70 1vs6 n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1vs6 n ASP 45 N -1.28 0.00 0.00 0.26 8.00 -1.26 0.41 116.55 122.68 1vs6 n ASP 45 Ca 0.00 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1vs6 n ASP 45 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1vs6 n ASP 45 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1vs6 n LYS 46 N -3.08 0.00 0.02 -1.24 3.00 -1.26 -3.53 118.16 112.08 1vs6 n LYS 46 Ca 0.25 0.09 0.22 0.00 -0.00 0.00 0.00 58.31 58.87 1vs6 n LYS 46 Cb 1.34 -0.47 0.73 0.00 0.00 0.00 0.00 35.03 36.63 1vs6 n LYS 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1vs6 h VAL 47 N 0.00 0.42 -0.00 3.15 2.07 -1.35 0.11 116.25 120.64 1vs6 h VAL 47 Ca 0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1vs6 h VAL 47 Cb 0.00 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1vs6 h VAL 47 CO 0.00 0.00 -0.81 -0.03 0.02 0.00 0.00 177.57 176.75 1vs6 h MET 48 N 0.00 0.06 -0.02 1.57 1.85 -0.25 -3.22 114.93 114.93 1vs6 h MET 48 Ca 0.25 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.28 1vs6 h MET 48 Cb 1.27 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.31 1vs6 h MET 48 CO -0.00 0.83 -0.18 -1.71 -0.40 0.00 0.00 176.91 175.45 1vs6 n ASN 49 N -3.63 1.89 -0.08 1.39 5.15 0.30 -3.86 115.26 116.42 1vs6 n ASN 49 Ca -0.02 -1.48 0.13 0.00 -0.60 0.00 0.00 54.58 52.62 1vs6 n ASN 49 Cb 0.77 0.15 0.48 0.00 -0.53 0.00 0.00 39.78 40.65 1vs6 n ASN 49 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1vs6 n MET 50 N 0.21 0.40 -0.65 1.20 2.81 -0.82 -3.63 117.12 116.64 1vs6 n MET 50 Ca 0.14 -0.17 -0.11 0.00 -1.81 0.00 0.00 57.70 55.75 1vs6 n MET 50 Cb 0.44 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.57 1vs6 n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vs6 n GLN 51 N -1.15 1.84 0.01 0.03 10.64 -1.25 -4.49 117.38 123.01 1vs6 n GLN 51 Ca 0.10 -1.65 -0.10 0.00 -1.83 0.00 0.00 57.00 53.53 1vs6 n GLN 51 Cb 0.31 -1.67 -0.03 0.00 -0.86 0.00 0.00 30.24 27.99 1vs6 n GLN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1vs6 h ALA 52 N 1.63 -0.17 -2.11 2.61 0.00 -1.86 -3.44 119.26 115.92 1vs6 h ALA 52 Ca 0.31 0.04 -0.44 0.00 0.00 0.00 0.00 54.91 54.82 1vs6 h ALA 52 Cb 1.95 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 19.98 1vs6 h ALA 52 CO 0.57 -0.66 -0.64 0.21 0.00 0.00 0.00 179.25 178.72 1vs6 s LYS 53 N -6.11 1.50 0.65 0.00 2.36 -1.26 -5.01 119.74 111.88 1vs6 s LYS 53 Ca -0.15 -1.79 0.09 0.00 -2.55 0.00 0.00 55.97 51.57 1vs6 s LYS 53 Cb 0.10 -0.83 0.44 0.00 -1.05 0.00 0.00 37.83 36.49 1vs6 s LYS 53 CO 0.67 -0.10 1.23 0.00 1.55 0.00 0.00 175.35 178.70 1vs6 h ALA 54 N 2.29 1.96 -0.39 3.13 0.00 -1.95 -1.95 119.26 122.35 1vs6 h ALA 54 Ca -0.40 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.62 1vs6 h ALA 54 Cb 1.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1vs6 h ALA 54 CO 0.67 -0.93 0.70 0.93 0.00 0.00 0.00 179.25 180.62 1vs6 h GLU 55 N 0.00 0.00 0.14 0.00 5.08 -1.94 1.08 114.58 118.94 1vs6 h GLU 55 Ca 0.05 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.12 1vs6 h GLU 55 Cb 1.80 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.07 1vs6 h GLU 55 CO -0.00 0.00 -1.27 0.35 -1.00 0.00 0.00 179.01 177.09 1vs6 h PHE 56 N 0.00 0.74 -0.56 4.33 -0.00 -1.58 -3.13 116.94 116.74 1vs6 h PHE 56 Ca 0.19 -0.51 0.00 0.00 -0.00 0.00 0.00 57.97 57.65 1vs6 h PHE 56 Cb 1.58 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 37.49 1vs6 h PHE 56 CO 0.00 1.37 0.00 0.66 -0.00 0.00 0.00 178.31 180.34 1vs6 n TYR 57 N -3.66 0.74 0.00 0.41 4.02 0.32 -4.31 117.16 114.69 1vs6 n TYR 57 Ca -0.11 -0.43 0.00 0.00 -0.01 0.00 0.00 57.90 57.35 1vs6 n TYR 57 Cb 1.01 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.33 1vs6 n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1vs6 n SER 58 N 1.37 0.00 -4.78 7.72 7.64 0.15 -4.81 113.62 120.92 1vs6 n SER 58 Ca 0.20 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.72 1vs6 n SER 58 Cb 0.57 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 1vs6 n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1vs6 s GLU 59 N -0.67 3.88 0.27 1.43 -6.30 -1.18 -4.96 118.70 111.17 1vs6 s GLU 59 Ca 0.00 1.58 -0.30 0.00 -2.50 0.00 0.00 54.97 53.75 1vs6 s GLU 59 Cb 0.00 -2.35 -0.11 0.00 0.00 0.00 0.00 34.13 31.67 1vs6 s GLU 59 CO 0.00 -0.40 1.57 0.08 0.02 0.00 0.00 175.26 176.52 1vs6 s VAL 60 N -1.70 2.22 0.48 3.70 1.01 -1.26 -4.75 120.40 120.11 1vs6 s VAL 60 Ca 0.63 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.87 1vs6 s VAL 60 Cb -0.23 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1vs6 s VAL 60 CO 0.28 0.03 0.52 -0.76 0.00 0.00 0.00 175.10 175.17 1vs6 s LEU 61 N -0.31 3.25 -0.28 3.92 1.43 -1.24 -4.65 118.68 120.80 1vs6 s LEU 61 Ca 0.63 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1vs6 s LEU 61 Cb -0.46 -1.91 0.09 0.00 0.03 0.00 0.00 46.19 43.93 1vs6 s LEU 61 CO 0.45 -0.93 0.06 0.42 0.23 0.00 0.00 176.35 176.59 1vs6 s THR 62 N -2.55 1.01 -1.18 5.49 -4.23 -1.25 -2.27 115.64 110.67 1vs6 s THR 62 Ca 0.50 -1.31 -0.20 0.00 -1.18 0.00 0.00 61.69 59.50 1vs6 s THR 62 Cb -0.05 -1.66 0.06 0.00 1.34 0.00 0.00 72.50 72.19 1vs6 s THR 62 CO 0.30 -0.52 1.61 -0.63 -0.54 0.00 0.00 174.62 174.84 1vs6 s ILE 63 N 1.57 4.07 -0.68 2.99 1.01 -1.26 0.17 121.20 129.07 1vs6 s ILE 63 Ca 0.06 -1.46 -0.26 0.00 0.00 0.00 0.00 60.65 59.00 1vs6 s ILE 63 Cb -0.18 -5.13 -0.13 0.00 0.01 0.00 0.00 42.46 37.03 1vs6 s ILE 63 CO -0.19 -1.98 2.45 0.52 0.00 0.00 0.00 174.94 175.75 1vs6 n VAL 64 N 6.55 -0.05 -3.78 2.92 0.31 0.19 -4.77 118.33 119.69 1vs6 n VAL 64 Ca 0.42 -0.58 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 1vs6 n VAL 64 Cb 0.48 -2.04 -0.11 0.00 -0.91 0.00 0.00 33.84 31.26 1vs6 n VAL 64 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1vs6 s VAL 65 N 11.42 0.01 -0.20 2.52 -7.23 -1.26 -0.92 120.40 124.73 1vs6 s VAL 65 Ca 1.06 -0.04 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 1vs6 s VAL 65 Cb -0.40 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.15 1vs6 s VAL 65 CO 0.28 -0.02 0.00 -0.67 -0.31 0.00 0.00 175.10 174.38 1vs6 n ASP 66 N 2.82 -5.89 0.00 4.85 -0.08 -1.26 -2.58 116.55 114.41 1vs6 n ASP 66 Ca -0.13 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1vs6 n ASP 66 Cb 0.58 -3.56 0.00 0.00 2.34 0.00 0.00 41.12 40.48 1vs6 n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1vs6 n GLY 67 N 0.78 1.63 3.76 0.27 0.00 -1.26 -4.94 105.19 105.43 1vs6 n GLY 67 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1vs6 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vs6 s LYS 68 N 0.00 2.03 0.63 1.61 -2.85 -1.07 -5.01 119.74 115.08 1vs6 s LYS 68 Ca 0.00 1.10 -0.15 0.00 -1.00 0.00 0.00 55.97 55.92 1vs6 s LYS 68 Cb 0.00 -1.88 -0.01 0.00 -2.06 0.00 0.00 37.83 33.88 1vs6 s LYS 68 CO 0.00 -1.78 1.08 -2.00 0.10 0.00 0.00 175.35 172.74 1vs6 s GLU 69 N -4.91 3.05 0.00 1.78 2.12 -1.26 -4.44 118.70 115.04 1vs6 s GLU 69 Ca 0.62 1.24 0.00 0.00 0.36 0.00 0.00 54.97 57.18 1vs6 s GLU 69 Cb -0.17 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.22 1vs6 s GLU 69 CO 0.56 -1.03 0.00 0.44 -0.54 0.00 0.00 175.26 174.69 1vs6 n ILE 70 N -2.35 0.00 -2.50 -3.70 -0.00 -1.26 -5.03 119.36 104.52 1vs6 n ILE 70 Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.81 1vs6 n ILE 70 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.14 1vs6 n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1vs6 n LYS 71 N -0.81 -4.62 0.00 6.28 5.02 -1.25 -4.67 118.16 118.11 1vs6 n LYS 71 Ca 0.00 3.42 0.00 0.00 -2.02 0.00 0.00 58.31 59.71 1vs6 n LYS 71 Cb 0.00 -4.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 1vs6 n LYS 71 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1vs6 n VAL 72 N 1.83 0.00 -3.66 -0.18 0.24 -0.96 -1.83 118.33 113.76 1vs6 n VAL 72 Ca -0.22 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 1vs6 n VAL 72 Cb 0.33 -0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 1vs6 n VAL 72 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1vs6 s LYS 73 N 1.61 0.26 -0.62 7.34 -0.14 0.27 -3.66 119.74 124.81 1vs6 s LYS 73 Ca 0.00 0.91 -0.26 0.00 -1.36 0.00 0.00 55.97 55.26 1vs6 s LYS 73 Cb 0.00 0.18 -0.03 0.00 -1.68 0.00 0.00 37.83 36.30 1vs6 s LYS 73 CO 0.00 -0.26 1.90 0.00 -0.76 0.00 0.00 175.35 176.24 1vs6 s ALA 74 N 2.45 2.10 0.00 5.17 0.00 -1.26 -0.15 121.76 130.07 1vs6 s ALA 74 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1vs6 s ALA 74 Cb -0.12 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1vs6 s ALA 74 CO -0.11 -3.99 0.00 0.94 0.00 0.00 0.00 175.76 172.60 1vs6 n GLN 75 N 9.16 0.00 -3.93 0.00 7.27 -0.59 -4.76 117.38 124.53 1vs6 n GLN 75 Ca 0.22 0.16 -0.22 0.00 0.07 0.00 0.00 57.00 57.24 1vs6 n GLN 75 Cb 0.52 -0.57 -0.04 0.00 2.41 0.00 0.00 30.24 32.55 1vs6 n GLN 75 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1vs6 s ASP 76 N -2.35 5.12 -0.23 1.69 2.15 -1.17 -4.97 116.67 116.91 1vs6 s ASP 76 Ca 0.00 -0.56 -0.03 0.00 0.43 0.00 0.00 52.55 52.39 1vs6 s ASP 76 Cb 0.00 -0.94 0.12 0.00 -0.30 0.00 0.00 42.92 41.80 1vs6 s ASP 76 CO 0.00 -0.30 0.31 0.54 -0.17 0.00 0.00 175.17 175.54 1vs6 s VAL 77 N -2.32 -0.47 -1.19 1.11 0.11 -1.26 -1.56 120.40 114.81 1vs6 s VAL 77 Ca 0.39 -0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 59.16 1vs6 s VAL 77 Cb -0.05 -0.77 0.14 0.00 -1.53 0.00 0.00 36.38 34.17 1vs6 s VAL 77 CO 0.25 -0.18 1.47 -1.10 -3.33 0.00 0.00 175.10 172.21 1vs6 s GLN 78 N 2.44 3.99 0.68 1.54 -0.21 0.32 -4.99 119.66 123.44 1vs6 s GLN 78 Ca 0.10 -2.30 -0.14 0.00 0.02 0.00 0.00 55.36 53.04 1vs6 s GLN 78 Cb -0.15 -5.17 0.01 0.00 1.00 0.00 0.00 33.01 28.70 1vs6 s GLN 78 CO -0.16 -1.90 1.10 -0.98 -2.12 0.00 0.00 175.29 171.23 1vs6 s ARG 79 N 2.45 2.73 0.47 2.91 1.70 -1.26 -1.36 118.95 126.59 1vs6 s ARG 79 Ca 0.44 1.30 -0.24 0.00 -0.47 0.00 0.00 55.73 56.76 1vs6 s ARG 79 Cb -0.01 -1.95 -0.07 0.00 -0.57 0.00 0.00 34.95 32.35 1vs6 s ARG 79 CO 0.00 -1.29 1.35 -1.58 -1.08 0.00 0.00 175.30 172.69 1vs6 s HIS 80 N -2.52 2.53 0.27 5.89 5.65 0.14 -4.78 115.29 122.47 1vs6 s HIS 80 Ca 0.65 1.36 0.00 0.00 0.25 0.00 0.00 55.06 57.33 1vs6 s HIS 80 Cb -0.19 -3.76 0.58 0.00 -1.18 0.00 0.00 32.58 28.03 1vs6 s HIS 80 CO 0.45 -2.57 1.77 -1.35 -0.65 0.00 0.00 174.74 172.39 1vs6 h PRO 81 N 2.08 0.65 0.00 2.88 0.11 -1.94 -3.39 132.00 132.39 1vs6 h PRO 81 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1vs6 h PRO 81 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vs6 h PRO 81 CO 0.60 0.43 0.00 2.48 -0.21 0.00 0.00 178.00 181.30 1vs6 n TYR 82 N -4.84 0.00 -2.81 0.65 -0.00 -1.26 -5.10 117.16 103.80 1vs6 n TYR 82 Ca 0.18 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.68 1vs6 n TYR 82 Cb 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.75 1vs6 n TYR 82 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1vs6 s LYS 83 N -0.41 4.70 -0.03 -3.48 1.02 -1.26 -4.91 119.74 115.36 1vs6 s LYS 83 Ca 0.00 1.36 -0.27 0.00 0.02 0.00 0.00 55.97 57.08 1vs6 s LYS 83 Cb 0.00 -3.32 -0.33 0.00 -0.52 0.00 0.00 37.83 33.66 1vs6 s LYS 83 CO 0.00 0.38 1.54 -2.30 -0.92 0.00 0.00 175.35 174.06 1vs6 n PRO 84 N 2.16 0.07 -3.83 -1.68 -0.02 -1.26 -4.36 135.00 126.08 1vs6 n PRO 84 Ca -0.01 -0.98 -0.06 0.00 -2.02 0.00 0.00 63.50 60.43 1vs6 n PRO 84 Cb 0.49 -2.46 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1vs6 n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1vs6 s LYS 85 N 6.69 1.82 0.38 -0.52 -2.85 -1.26 -5.07 119.74 118.93 1vs6 s LYS 85 Ca 0.61 -1.15 0.05 0.00 -1.00 0.00 0.00 55.97 54.48 1vs6 s LYS 85 Cb 0.13 0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 36.36 1vs6 s LYS 85 CO 0.30 -0.85 0.04 -0.51 0.10 0.00 0.00 175.35 174.43 1vs6 s LEU 86 N -3.15 2.47 0.06 2.77 1.02 -1.26 0.27 118.68 120.86 1vs6 s LEU 86 Ca 0.17 -1.41 0.00 0.00 0.02 0.00 0.00 54.13 52.91 1vs6 s LEU 86 Cb -0.04 -0.61 0.00 0.00 0.02 0.00 0.00 46.19 45.56 1vs6 s LEU 86 CO 0.08 -0.57 0.00 0.00 0.02 0.00 0.00 176.35 175.88 1vs6 n GLN 87 N -0.85 0.00 -4.15 1.70 3.00 -0.46 -4.72 117.38 111.89 1vs6 n GLN 87 Ca -0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.69 1vs6 n GLN 87 Cb 0.67 -0.14 -0.17 0.00 0.00 0.00 0.00 30.24 30.59 1vs6 n GLN 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1vs6 s HIS 88 N -1.41 1.34 0.06 1.08 5.65 -1.23 -3.38 115.29 117.41 1vs6 s HIS 88 Ca 0.00 -0.58 0.07 0.00 0.25 0.00 0.00 55.06 54.80 1vs6 s HIS 88 Cb 0.00 -1.09 -0.03 0.00 -1.18 0.00 0.00 32.58 30.28 1vs6 s HIS 88 CO 0.00 -0.39 -0.16 0.96 -0.65 0.00 0.00 174.74 174.51 1vs6 s ILE 89 N 1.29 2.98 -0.27 0.89 -5.25 -1.26 -0.52 121.20 119.06 1vs6 s ILE 89 Ca -0.03 -1.21 -0.09 0.00 -0.99 0.00 0.00 60.65 58.32 1vs6 s ILE 89 Cb -0.14 -2.30 -0.04 0.00 2.95 0.00 0.00 42.46 42.93 1vs6 s ILE 89 CO -0.03 0.27 0.14 -1.81 -1.79 0.00 0.00 174.94 171.71 1vs6 s ASP 90 N -1.67 5.63 -0.07 4.36 1.11 -0.60 -3.69 116.67 121.73 1vs6 s ASP 90 Ca 0.16 -0.12 -0.03 0.00 0.18 0.00 0.00 52.55 52.74 1vs6 s ASP 90 Cb -0.11 -2.03 -0.04 0.00 1.07 0.00 0.00 42.92 41.81 1vs6 s ASP 90 CO 0.08 -0.05 0.08 -0.36 1.18 0.00 0.00 175.17 176.09 1vs6 s PHE 91 N 1.69 3.36 -0.17 4.23 2.99 -0.97 -1.54 117.98 127.57 1vs6 s PHE 91 Ca 0.07 0.31 -0.01 0.00 0.00 0.00 0.00 56.93 57.30 1vs6 s PHE 91 Cb -0.16 -1.82 -0.01 0.00 0.00 0.00 0.00 43.02 41.03 1vs6 s PHE 91 CO 0.08 0.59 -0.12 0.08 -0.00 0.00 0.00 175.22 175.85 1vs6 s VAL 92 N -1.05 2.97 -0.63 -0.44 1.01 0.79 -3.43 120.40 119.62 1vs6 s VAL 92 Ca 0.18 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1vs6 s VAL 92 Cb -0.12 -2.28 -0.12 0.00 0.00 0.00 0.00 36.38 33.86 1vs6 s VAL 92 CO 0.07 0.49 2.48 -1.14 0.00 0.00 0.00 175.10 177.00 1vs6 n ARG 93 N 4.15 0.73 0.00 2.72 0.63 -0.86 0.95 116.66 124.98 1vs6 n ARG 93 Ca -0.19 0.05 0.03 0.00 -0.92 0.00 0.00 57.85 56.82 1vs6 n ARG 93 Cb 0.52 -2.69 0.17 0.00 0.45 0.00 0.00 32.46 30.91 1vs6 n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12