#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 n GLN 3 N 0.00 -3.45 -0.43 6.28 7.27 -0.16 -4.80 117.38 122.09 1vs6 n GLN 3 Ca 0.00 2.73 -0.26 0.00 0.07 0.00 0.00 57.00 59.55 1vs6 n GLN 3 Cb 0.00 -3.59 0.22 0.00 2.41 0.00 0.00 30.24 29.28 1vs6 n GLN 3 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1vs6 n GLU 4 N -3.15 -3.17 0.00 3.69 -0.58 -1.26 -4.57 120.64 111.60 1vs6 n GLU 4 Ca -0.04 -0.93 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 1vs6 n GLU 4 Cb 0.51 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1vs6 n GLU 4 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1vs6 n GLN 5 N -3.64 0.00 -1.95 3.49 1.13 0.27 -4.93 117.38 111.75 1vs6 n GLN 5 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1vs6 n GLN 5 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.85 1vs6 n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1vs6 n THR 6 N 0.00-10.60 -2.70 5.09 -1.04 -1.26 -2.48 114.28 101.30 1vs6 n THR 6 Ca 0.00 2.41 -0.43 0.00 -2.04 0.00 0.00 64.05 63.99 1vs6 n THR 6 Cb 0.00 -5.22 -0.02 0.00 -1.82 0.00 0.00 70.33 63.27 1vs6 n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1vs6 s MET 7 N -1.02 4.19 -0.01 -2.82 -1.94 -1.26 -3.10 119.30 113.34 1vs6 s MET 7 Ca 0.00 1.21 0.05 0.00 -1.71 0.00 0.00 55.69 55.24 1vs6 s MET 7 Cb 0.00 -3.67 -0.03 0.00 2.01 0.00 0.00 34.83 33.15 1vs6 s MET 7 CO 0.00 -0.68 -0.17 -0.51 -0.01 0.00 0.00 175.02 173.65 1vs6 s LEU 8 N 3.24 2.61 0.32 -0.03 1.43 -0.44 -4.88 118.68 120.93 1vs6 s LEU 8 Ca 0.43 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 1vs6 s LEU 8 Cb -0.14 -1.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 1vs6 s LEU 8 CO 0.09 0.31 0.65 0.20 0.23 0.00 0.00 176.35 177.83 1vs6 s ASN 9 N -0.98 6.57 0.09 2.29 0.01 0.22 0.23 114.94 123.37 1vs6 s ASN 9 Ca 0.13 1.00 -0.26 0.00 -0.71 0.00 0.00 52.86 53.01 1vs6 s ASN 9 Cb -0.10 -2.26 -0.06 0.00 0.41 0.00 0.00 41.25 39.23 1vs6 s ASN 9 CO 0.02 -0.23 0.81 0.68 -1.51 0.00 0.00 177.10 176.87 1vs6 s VAL 10 N -2.09 4.57 -0.48 1.60 -7.23 -1.25 -0.74 120.40 114.78 1vs6 s VAL 10 Ca 0.49 1.75 0.17 0.00 -1.81 0.00 0.00 61.98 62.58 1vs6 s VAL 10 Cb -0.11 -4.17 -0.22 0.00 0.56 0.00 0.00 36.38 32.45 1vs6 s VAL 10 CO 0.26 0.40 0.58 0.00 -0.31 0.00 0.00 175.10 176.03 1vs6 n ALA 11 N 2.45 3.57 -2.21 1.32 0.00 -1.26 -4.82 120.51 119.56 1vs6 n ALA 11 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1vs6 n ALA 11 Cb 0.49 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1vs6 n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vs6 n ASP 12 N -1.67 0.00 -3.04 0.00 5.68 -1.26 0.15 116.55 116.41 1vs6 n ASP 12 Ca 0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.19 1vs6 n ASP 12 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1vs6 n ASP 12 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1vs6 s ASN 13 N -0.58 0.29 -0.36 -1.12 2.20 -1.26 -4.74 114.94 109.36 1vs6 s ASN 13 Ca 0.00 -1.25 -0.02 0.00 -0.94 0.00 0.00 52.86 50.66 1vs6 s ASN 13 Cb 0.00 0.79 -0.02 0.00 -2.00 0.00 0.00 41.25 40.02 1vs6 s ASN 13 CO 0.00 -1.57 0.32 -0.24 -2.94 0.00 0.00 177.10 172.68 1vs6 n SER 14 N -1.40 -3.86 0.00 3.54 2.88 -1.26 -4.82 113.62 108.69 1vs6 n SER 14 Ca -0.05 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1vs6 n SER 14 Cb 0.60 -2.36 0.00 0.00 -0.75 0.00 0.00 64.21 61.70 1vs6 n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vs6 n GLY 15 N -1.37 0.12 3.56 0.46 0.00 -1.26 -4.20 105.19 102.51 1vs6 n GLY 15 Ca -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1vs6 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs6 s ALA 16 N 0.00 0.23 0.00 4.61 0.00 -1.26 -4.62 121.76 120.71 1vs6 s ALA 16 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1vs6 s ALA 16 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1vs6 s ALA 16 CO 0.00 -3.41 0.00 0.54 0.00 0.00 0.00 175.76 172.89 1vs6 n ARG 17 N -4.63 0.00 -1.04 0.00 5.12 -1.26 -1.56 116.66 113.29 1vs6 n ARG 17 Ca 0.05 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.58 1vs6 n ARG 17 Cb 0.54 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.79 1vs6 n ARG 17 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1vs6 n ARG 18 N 0.00 0.00 -3.91 5.56 1.85 -1.26 -3.77 116.66 115.13 1vs6 n ARG 18 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 1vs6 n ARG 18 Cb 0.00 -0.99 -0.17 0.00 -1.05 0.00 0.00 32.46 30.26 1vs6 n ARG 18 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1vs6 s VAL 19 N -0.13 0.30 -0.11 8.89 1.01 0.13 -3.09 120.40 127.41 1vs6 s VAL 19 Ca 0.60 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 1vs6 s VAL 19 Cb -0.85 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1vs6 s VAL 19 CO 0.40 0.21 0.87 -0.32 0.00 0.00 0.00 175.10 176.25 1vs6 s MET 20 N 1.41 4.40 -0.34 2.72 1.75 0.22 -1.33 119.30 128.14 1vs6 s MET 20 Ca -0.04 1.14 -0.23 0.00 -1.25 0.00 0.00 55.69 55.30 1vs6 s MET 20 Cb -0.13 -3.52 0.01 0.00 2.84 0.00 0.00 34.83 34.02 1vs6 s MET 20 CO -0.03 -0.20 0.79 0.00 -0.65 0.00 0.00 175.02 174.94 1vs6 n ILE 22 N 5.70 0.00 -3.82 0.00 -5.35 -0.89 0.95 119.36 115.95 1vs6 n ILE 22 Ca 0.03 -0.31 -0.04 0.00 -0.27 0.00 0.00 62.75 62.17 1vs6 n ILE 22 Cb 0.48 1.21 0.01 0.00 -1.74 0.00 0.00 39.64 39.60 1vs6 n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1vs6 s LYS 23 N -2.09 1.35 -0.16 6.28 2.47 -1.24 -4.78 119.74 121.58 1vs6 s LYS 23 Ca 0.15 -0.83 -0.04 0.00 -1.56 0.00 0.00 55.97 53.69 1vs6 s LYS 23 Cb 0.15 0.41 0.07 0.00 -1.46 0.00 0.00 37.83 37.00 1vs6 s LYS 23 CO 0.46 -0.63 0.17 0.08 0.16 0.00 0.00 175.35 175.59 1vs6 s VAL 24 N -2.64 -0.24 0.00 4.02 1.01 -1.26 -3.76 120.40 117.52 1vs6 s VAL 24 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1vs6 s VAL 24 Cb -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1vs6 s VAL 24 CO 0.05 -0.12 0.00 0.18 0.00 0.00 0.00 175.10 175.21 1vs6 n LEU 25 N 5.31 0.00 0.00 3.92 4.77 -1.26 -4.54 117.00 125.20 1vs6 n LEU 25 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1vs6 n LEU 25 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1vs6 n LEU 25 CO 0.07 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1vs6 n GLY 26 N 0.63 0.96 0.00 -0.72 0.00 -1.26 -4.46 105.19 100.35 1vs6 n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vs6 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 27 N -0.87 0.83 3.66 -0.02 0.00 -1.26 -4.95 105.19 102.58 1vs6 n GLY 27 Ca 0.00 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1vs6 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vs6 s SER 28 N -4.00 6.95 -0.61 1.61 1.04 -1.26 -3.58 113.70 113.85 1vs6 s SER 28 Ca 0.00 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1vs6 s SER 28 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1vs6 s SER 28 CO 0.00 -0.74 0.00 1.41 0.98 0.00 0.00 173.24 174.89 1vs6 n HIS 29 N 6.45 -0.08 -1.79 5.02 8.25 -1.26 -4.95 115.22 126.85 1vs6 n HIS 29 Ca 0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.26 1vs6 n HIS 29 Cb 0.45 -1.52 -0.04 0.00 1.12 0.00 0.00 29.99 30.01 1vs6 n HIS 29 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1vs6 s ARG 30 N -3.03 2.29 0.04 -0.41 1.81 -1.23 -4.82 118.95 113.60 1vs6 s ARG 30 Ca 0.00 0.85 -0.29 0.00 -1.72 0.00 0.00 55.73 54.57 1vs6 s ARG 30 Cb 0.00 -4.57 -0.17 0.00 -0.45 0.00 0.00 34.95 29.76 1vs6 s ARG 30 CO 0.00 -3.19 1.42 0.07 -0.68 0.00 0.00 175.30 172.92 1vs6 h ARG 31 N 16.38 -0.73 -5.36 3.54 0.11 -1.92 -3.44 114.38 122.96 1vs6 h ARG 31 Ca -0.19 0.05 -0.66 0.00 0.10 0.00 0.00 59.98 59.28 1vs6 h ARG 31 Cb 1.18 0.17 -0.12 0.00 1.11 0.00 0.00 29.97 32.30 1vs6 h ARG 31 CO 1.17 -0.44 -0.51 0.71 0.10 0.00 0.00 179.97 181.01 1vs6 s TYR 32 N -5.41 1.98 -0.31 4.08 2.02 -1.26 -0.99 117.35 117.45 1vs6 s TYR 32 Ca -0.16 -0.89 -0.10 0.00 -0.37 0.00 0.00 57.07 55.55 1vs6 s TYR 32 Cb 0.03 -1.68 0.19 0.00 -0.40 0.00 0.00 41.96 40.10 1vs6 s TYR 32 CO 0.56 0.20 1.06 0.00 -1.57 0.00 0.00 175.55 175.81 1vs6 s ALA 33 N -2.83 -4.39 0.00 3.71 0.00 -1.26 -4.22 121.76 112.76 1vs6 s ALA 33 Ca 0.14 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1vs6 s ALA 33 Cb 0.03 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1vs6 s ALA 33 CO 0.08 -2.39 0.00 0.41 0.00 0.00 0.00 175.76 173.86 1vs6 n GLY 34 N 4.09 0.77 2.32 0.00 0.00 -1.26 -1.46 105.19 109.64 1vs6 n GLY 34 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1vs6 n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vs6 n VAL 35 N 0.00 0.00 -2.73 1.61 0.24 -1.26 -2.24 118.33 113.94 1vs6 n VAL 35 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1vs6 n VAL 35 Cb 0.00 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.47 1vs6 n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1vs6 n GLY 36 N 0.00 1.07 4.00 7.63 0.00 -1.21 -3.93 105.19 112.75 1vs6 n GLY 36 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1vs6 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vs6 s ASP 37 N -1.35 5.25 -0.14 1.61 1.01 -0.95 -4.63 116.67 117.47 1vs6 s ASP 37 Ca 0.23 -0.34 -0.18 0.00 0.71 0.00 0.00 52.55 52.97 1vs6 s ASP 37 Cb 0.35 -0.48 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 1vs6 s ASP 37 CO -0.07 -1.14 0.47 -0.63 0.21 0.00 0.00 175.17 174.01 1vs6 s ILE 38 N -2.65 5.18 -0.03 0.77 -1.09 -1.26 -2.97 121.20 119.14 1vs6 s ILE 38 Ca 0.58 0.92 0.01 0.00 -2.23 0.00 0.00 60.65 59.93 1vs6 s ILE 38 Cb -0.09 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1vs6 s ILE 38 CO 0.37 0.30 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.72 1vs6 s ILE 39 N 0.83 0.40 0.08 2.92 -1.09 0.33 -4.22 121.20 120.45 1vs6 s ILE 39 Ca 0.25 -0.07 -0.31 0.00 -2.23 0.00 0.00 60.65 58.29 1vs6 s ILE 39 Cb -0.15 -0.44 -0.09 0.00 -1.58 0.00 0.00 42.46 40.20 1vs6 s ILE 39 CO 0.10 0.18 1.79 -0.75 -1.23 0.00 0.00 174.94 175.03 1vs6 s LYS 40 N 0.81 4.16 0.47 2.79 2.47 -1.25 -0.12 119.74 129.07 1vs6 s LYS 40 Ca -0.10 2.50 0.05 0.00 -1.56 0.00 0.00 55.97 56.86 1vs6 s LYS 40 Cb -0.13 -3.72 -0.03 0.00 -1.46 0.00 0.00 37.83 32.50 1vs6 s LYS 40 CO -0.00 -0.83 0.14 -1.50 0.16 0.00 0.00 175.35 173.32 1vs6 s ILE 41 N 3.09 1.79 -0.27 5.43 1.10 -0.07 -2.10 121.20 130.16 1vs6 s ILE 41 Ca 0.80 -1.80 0.00 0.00 -0.51 0.00 0.00 60.65 59.14 1vs6 s ILE 41 Cb -0.43 -2.59 0.15 0.00 0.15 0.00 0.00 42.46 39.75 1vs6 s ILE 41 CO 0.36 0.00 0.41 -0.89 -2.11 0.00 0.00 174.94 172.71 1vs6 s THR 42 N -2.73 -0.65 0.23 4.00 2.01 0.51 -2.03 115.64 116.98 1vs6 s THR 42 Ca 0.28 -0.19 -0.32 0.00 0.31 0.00 0.00 61.69 61.77 1vs6 s THR 42 Cb 0.03 -0.93 -0.12 0.00 0.01 0.00 0.00 72.50 71.49 1vs6 s THR 42 CO 0.16 -0.21 1.69 -0.63 -0.69 0.00 0.00 174.62 174.94 1vs6 s ILE 43 N 2.57 2.04 0.00 1.82 1.01 -1.24 0.73 121.20 128.13 1vs6 s ILE 43 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1vs6 s ILE 43 Cb -0.14 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1vs6 s ILE 43 CO -0.25 0.00 0.20 0.29 0.00 0.00 0.00 174.94 175.19 1vs6 n LYS 44 N 3.59 2.04 0.00 2.79 5.02 -1.18 -0.43 118.16 129.99 1vs6 n LYS 44 Ca 0.14 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1vs6 n LYS 44 Cb 0.36 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 1vs6 n LYS 44 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1vs6 n GLU 45 N -0.35 0.00 -1.64 1.97 1.02 -1.24 -4.91 120.64 115.50 1vs6 n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1vs6 n GLU 45 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 1vs6 n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vs6 n ALA 46 N -2.23 -1.99 -1.87 0.62 0.00 -0.60 -4.76 120.51 109.68 1vs6 n ALA 46 Ca 0.00 0.50 -0.32 0.00 0.00 0.00 0.00 53.44 53.61 1vs6 n ALA 46 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 1vs6 n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vs6 s ILE 47 N -5.00 4.50 0.25 0.00 1.01 -1.26 -4.58 121.20 116.12 1vs6 s ILE 47 Ca 0.00 1.28 -0.04 0.00 0.00 0.00 0.00 60.65 61.89 1vs6 s ILE 47 Cb 0.00 -3.66 0.24 0.00 0.01 0.00 0.00 42.46 39.05 1vs6 s ILE 47 CO 0.00 -0.49 1.69 1.55 0.00 0.00 0.00 174.94 177.68 1vs6 h PRO 48 N 1.43 0.28 0.00 2.79 0.13 -1.99 -3.41 132.00 131.23 1vs6 h PRO 48 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1vs6 h PRO 48 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1vs6 h PRO 48 CO 0.62 0.19 0.00 0.54 -0.23 0.00 0.00 178.00 179.11 1vs6 n ARG 49 N -5.14 2.89 0.00 0.86 1.74 -1.26 -5.02 116.66 110.73 1vs6 n ARG 49 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1vs6 n ARG 49 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1vs6 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vs6 n GLY 50 N 4.64 -1.80 1.18 -0.13 0.00 -1.26 -4.70 105.19 103.12 1vs6 n GLY 50 Ca 0.00 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.62 1vs6 n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs6 n LYS 51 N -1.26 2.50 -3.69 1.61 0.00 -1.26 -4.67 118.16 111.40 1vs6 n LYS 51 Ca 0.00 -2.31 -0.30 0.00 0.00 0.00 0.00 58.31 55.70 1vs6 n LYS 51 Cb 0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 35.03 33.37 1vs6 n LYS 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1vs6 s VAL 52 N -1.26 0.89 0.00 3.15 1.01 -1.26 -5.12 120.40 117.81 1vs6 s VAL 52 Ca 0.42 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1vs6 s VAL 52 Cb 0.23 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1vs6 s VAL 52 CO 0.31 -0.78 0.00 2.29 0.00 0.00 0.00 175.10 176.92 1vs6 n LYS 53 N 4.41 2.50 -4.63 2.72 0.00 -1.26 -4.10 118.16 117.80 1vs6 n LYS 53 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.00 1vs6 n LYS 53 Cb 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.30 1vs6 n LYS 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1vs6 s LYS 54 N 0.00 3.19 0.00 -1.58 0.00 -1.26 -4.67 119.74 115.42 1vs6 s LYS 54 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 55.97 55.38 1vs6 s LYS 54 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 37.83 35.15 1vs6 s LYS 54 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 175.35 176.16 1vs6 n GLY 55 N 3.01 0.84 3.19 0.59 0.00 0.42 -5.00 105.19 108.24 1vs6 n GLY 55 Ca -0.18 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1vs6 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vs6 s ASP 56 N -2.65 5.06 -0.48 1.61 1.01 -1.26 -4.91 116.67 115.06 1vs6 s ASP 56 Ca 0.00 -1.38 -0.27 0.00 0.71 0.00 0.00 52.55 51.61 1vs6 s ASP 56 Cb 0.00 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.14 1vs6 s ASP 56 CO 0.00 -0.33 1.82 -0.69 0.21 0.00 0.00 175.17 176.18 1vs6 s VAL 57 N 1.27 3.43 0.00 -1.27 1.01 -1.26 -3.73 120.40 119.85 1vs6 s VAL 57 Ca -0.02 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1vs6 s VAL 57 Cb -0.20 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1vs6 s VAL 57 CO -0.01 -0.67 0.00 0.18 0.00 0.00 0.00 175.10 174.60 1vs6 n LEU 58 N 11.59 0.00 -4.11 3.92 4.77 -0.86 -4.98 117.00 127.33 1vs6 n LEU 58 Ca 0.22 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1vs6 n LEU 58 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1vs6 n LEU 58 CO 0.70 0.00 -0.19 -1.59 -1.33 0.00 0.00 177.39 174.98 1vs6 s LYS 59 N 1.77 1.10 0.14 3.23 -2.85 -1.26 -0.89 119.74 120.97 1vs6 s LYS 59 Ca 0.00 -1.42 -0.11 0.00 -1.00 0.00 0.00 55.97 53.44 1vs6 s LYS 59 Cb 0.00 0.30 0.04 0.00 -2.06 0.00 0.00 37.83 36.10 1vs6 s LYS 59 CO 0.00 -0.36 0.53 0.00 0.10 0.00 0.00 175.35 175.62 1vs6 n ALA 60 N -0.19 -1.34 -3.60 0.59 0.00 0.83 -2.72 120.51 114.08 1vs6 n ALA 60 Ca -0.03 -0.60 -0.05 0.00 0.00 0.00 0.00 53.44 52.75 1vs6 n ALA 60 Cb 0.64 0.39 -0.00 0.00 0.00 0.00 0.00 19.45 20.48 1vs6 n ALA 60 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1vs6 n VAL 61 N -0.37 0.00 -3.83 0.00 0.24 -1.08 0.12 118.33 113.41 1vs6 n VAL 61 Ca -0.02 -0.41 -0.21 0.00 -2.04 0.00 0.00 64.34 61.66 1vs6 n VAL 61 Cb 0.32 -0.39 -0.17 0.00 -1.47 0.00 0.00 33.84 32.13 1vs6 n VAL 61 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1vs6 s VAL 62 N -0.54 0.25 -0.11 3.34 1.01 -1.16 -4.07 120.40 119.12 1vs6 s VAL 62 Ca 0.05 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 1vs6 s VAL 62 Cb -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1vs6 s VAL 62 CO 0.03 0.21 -0.24 0.52 0.00 0.00 0.00 175.10 175.63 1vs6 n VAL 63 N 4.83 1.34 -3.99 2.92 0.31 -1.14 -3.34 118.33 119.26 1vs6 n VAL 63 Ca -0.13 0.12 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 1vs6 n VAL 63 Cb 0.50 -2.04 -0.15 0.00 -0.91 0.00 0.00 33.84 31.25 1vs6 n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1vs6 s ARG 64 N -2.57 2.91 -0.04 5.55 3.00 -1.26 -4.45 118.95 122.09 1vs6 s ARG 64 Ca -0.21 -0.92 0.01 0.00 0.00 0.00 0.00 55.73 54.60 1vs6 s ARG 64 Cb 0.04 -2.90 0.02 0.00 0.00 0.00 0.00 34.95 32.11 1vs6 s ARG 64 CO 0.30 -0.34 -0.02 0.95 0.00 0.00 0.00 175.30 176.18 1vs6 s THR 65 N 1.33 0.40 0.56 0.02 -4.23 -1.25 -0.52 115.64 111.95 1vs6 s THR 65 Ca 0.01 -0.03 0.33 0.00 -1.18 0.00 0.00 61.69 60.83 1vs6 s THR 65 Cb -0.16 -0.46 0.49 0.00 1.34 0.00 0.00 72.50 73.72 1vs6 s THR 65 CO -0.06 0.20 1.81 0.11 -0.54 0.00 0.00 174.62 176.14 1vs6 h LYS 66 N 7.31 0.00 -0.05 3.99 1.57 -0.79 0.17 116.57 128.76 1vs6 h LYS 66 Ca -0.38 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1vs6 h LYS 66 Cb 1.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1vs6 h LYS 66 CO 0.45 0.00 0.30 0.87 -0.57 0.00 0.00 179.45 180.50 1vs6 h LYS 67 N 0.00 0.00 -0.17 3.15 1.57 -1.91 -3.42 116.57 115.79 1vs6 h LYS 67 Ca 0.46 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.26 1vs6 h LYS 67 Cb 1.98 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.28 1vs6 h LYS 67 CO -0.00 0.00 -0.06 0.41 -0.57 0.00 0.00 179.45 179.23 1vs6 n GLY 68 N -1.24 -2.35 2.78 3.86 0.00 0.60 -5.00 105.19 103.84 1vs6 n GLY 68 Ca -0.01 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 1vs6 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vs6 s VAL 69 N -2.61 -0.10 0.31 1.61 1.01 -1.11 -4.73 120.40 114.77 1vs6 s VAL 69 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1vs6 s VAL 69 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1vs6 s VAL 69 CO 0.00 0.12 0.15 0.00 0.00 0.00 0.00 175.10 175.37 1vs6 s ARG 70 N 1.59 1.61 0.00 2.72 1.70 -1.26 -0.98 118.95 124.32 1vs6 s ARG 70 Ca -0.03 -1.92 0.00 0.00 -0.47 0.00 0.00 55.73 53.31 1vs6 s ARG 70 Cb -0.12 -0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.09 1vs6 s ARG 70 CO -0.04 -0.43 0.00 0.54 -1.08 0.00 0.00 175.30 174.29 1vs6 n ARG 71 N -0.60 0.00 0.00 3.89 5.12 -1.25 -5.03 116.66 118.79 1vs6 n ARG 71 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1vs6 n ARG 71 Cb 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.95 1vs6 n ARG 71 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1vs6 n PRO 72 N 0.00 0.00 -0.23 5.56 -0.02 -1.26 0.33 135.00 139.39 1vs6 n PRO 72 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1vs6 n PRO 72 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 33.71 1vs6 n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1vs6 n ASP 73 N 0.00 -0.02 0.00 2.55 5.68 -1.26 -4.75 116.55 118.76 1vs6 n ASP 73 Ca 0.00 1.12 0.00 0.00 -0.50 0.00 0.00 54.79 55.41 1vs6 n ASP 73 Cb 0.00 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 1vs6 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vs6 n GLY 74 N -1.30 1.82 3.53 6.12 0.00 0.15 -5.10 105.19 110.41 1vs6 n GLY 74 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1vs6 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vs6 n SER 75 N 0.00 -0.92 -4.21 1.61 3.41 -1.26 -4.64 113.62 107.62 1vs6 n SER 75 Ca 0.00 0.42 -0.18 0.00 -0.26 0.00 0.00 58.87 58.85 1vs6 n SER 75 Cb 0.00 -1.32 -0.11 0.00 -0.26 0.00 0.00 64.21 62.51 1vs6 n SER 75 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1vs6 s VAL 76 N -2.38 1.20 -0.62 -3.33 1.01 -1.26 -3.91 120.40 111.12 1vs6 s VAL 76 Ca 0.63 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1vs6 s VAL 76 Cb -0.24 -1.33 0.16 0.00 0.00 0.00 0.00 36.38 34.97 1vs6 s VAL 76 CO 0.62 -0.36 0.44 -0.63 0.00 0.00 0.00 175.10 175.17 1vs6 s ILE 77 N -1.84 3.86 -0.36 2.22 1.01 -0.15 -4.91 121.20 121.02 1vs6 s ILE 77 Ca 0.04 -2.78 -0.20 0.00 0.00 0.00 0.00 60.65 57.71 1vs6 s ILE 77 Cb -0.07 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1vs6 s ILE 77 CO 0.02 -0.87 0.59 -0.60 0.00 0.00 0.00 174.94 174.09 1vs6 s ARG 78 N 0.13 3.61 -0.31 2.79 3.52 -1.26 -2.76 118.95 124.66 1vs6 s ARG 78 Ca 0.16 -0.08 -0.11 0.00 -0.13 0.00 0.00 55.73 55.57 1vs6 s ARG 78 Cb -0.20 -3.83 -0.02 0.00 -1.56 0.00 0.00 34.95 29.34 1vs6 s ARG 78 CO -0.04 -0.74 0.19 -0.06 -0.81 0.00 0.00 175.30 173.84 1vs6 s PHE 79 N 2.60 3.20 -1.26 5.12 0.40 -1.25 -4.97 117.98 121.82 1vs6 s PHE 79 Ca 0.22 -0.29 -0.18 0.00 -0.60 0.00 0.00 56.93 56.08 1vs6 s PHE 79 Cb -0.15 -2.40 0.08 0.00 0.51 0.00 0.00 43.02 41.06 1vs6 s PHE 79 CO 0.15 -0.36 1.68 0.16 0.70 0.00 0.00 175.22 177.55 1vs6 s ASP 80 N 1.68 6.82 0.00 1.36 -4.77 -1.26 -0.60 116.67 119.91 1vs6 s ASP 80 Ca 0.06 -2.39 0.00 0.00 -3.30 0.00 0.00 52.55 46.92 1vs6 s ASP 80 Cb -0.17 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 1vs6 s ASP 80 CO 0.09 -1.17 0.00 0.61 0.70 0.00 0.00 175.17 175.40 1vs6 n GLY 81 N 5.44 1.43 2.93 2.12 0.00 -1.26 -4.96 105.19 110.89 1vs6 n GLY 81 Ca 0.46 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1vs6 n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vs6 s ASN 82 N 0.93 -0.70 0.30 1.61 0.01 -1.03 -3.10 114.94 112.96 1vs6 s ASN 82 Ca 0.00 -1.39 -0.28 0.00 -0.71 0.00 0.00 52.86 50.48 1vs6 s ASN 82 Cb 0.00 1.46 -0.09 0.00 0.41 0.00 0.00 41.25 43.03 1vs6 s ASN 82 CO 0.00 -0.16 0.97 0.00 -1.51 0.00 0.00 177.10 176.41 1vs6 s ALA 83 N 1.36 3.27 0.00 0.60 0.00 0.33 0.70 121.76 128.01 1vs6 s ALA 83 Ca 0.21 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1vs6 s ALA 83 Cb -0.05 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1vs6 s ALA 83 CO -0.06 0.10 0.00 0.00 0.00 0.00 0.00 175.76 175.80 1vs6 n VAL 85 N -1.16 -2.79 -1.11 0.00 0.31 -1.26 -2.63 118.33 109.69 1vs6 n VAL 85 Ca 0.00 0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 64.06 1vs6 n VAL 85 Cb 0.00 -4.27 0.09 0.00 -0.91 0.00 0.00 33.84 28.75 1vs6 n VAL 85 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vs6 n LEU 86 N -0.57 0.93 -4.09 7.52 4.77 -1.26 -3.22 117.00 121.09 1vs6 n LEU 86 Ca 0.01 0.51 -0.17 0.00 -0.03 0.00 0.00 56.01 56.33 1vs6 n LEU 86 Cb 0.11 -1.25 -0.13 0.00 -2.33 0.00 0.00 43.42 39.83 1vs6 n LEU 86 CO 0.05 -3.11 -0.43 -0.76 -1.33 0.00 0.00 177.39 171.81 1vs6 s LEU 87 N -1.07 2.19 -0.93 2.23 1.43 -1.10 -2.59 118.68 118.83 1vs6 s LEU 87 Ca 0.64 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 53.04 1vs6 s LEU 87 Cb -0.30 -0.41 -0.10 0.00 0.03 0.00 0.00 46.19 45.42 1vs6 s LEU 87 CO 0.60 -0.05 2.09 0.54 0.23 0.00 0.00 176.35 179.76 1vs6 s ASN 88 N -1.20 4.61 0.00 2.29 4.22 0.10 -4.50 114.94 120.46 1vs6 s ASN 88 Ca -0.02 -0.67 0.00 0.00 -2.14 0.00 0.00 52.86 50.03 1vs6 s ASN 88 Cb -0.08 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 39.89 1vs6 s ASN 88 CO 0.01 -3.31 0.00 -3.20 -2.04 0.00 0.00 177.10 168.56 1vs6 n ASN 89 N 15.90 0.00 0.21 3.54 2.85 -1.26 -1.60 115.26 134.90 1vs6 n ASN 89 Ca 0.43 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 55.04 1vs6 n ASN 89 Cb 0.46 0.00 0.74 0.00 1.24 0.00 0.00 39.78 42.22 1vs6 n ASN 89 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1vs6 h ASN 90 N 0.00 0.00 -0.97 1.20 -1.07 -1.99 -1.28 115.58 111.46 1vs6 h ASN 90 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 55.72 1vs6 h ASN 90 Cb 0.00 0.00 -0.30 0.00 -2.07 0.00 0.00 38.32 35.95 1vs6 h ASN 90 CO 0.00 0.00 0.72 -1.20 0.07 0.00 0.00 177.43 177.02 1vs6 n SER 91 N -2.47 7.02 0.00 6.14 7.64 -0.63 -5.00 113.62 126.32 1vs6 n SER 91 Ca -0.02 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.10 1vs6 n SER 91 Cb 0.06 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1vs6 n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vs6 n GLU 92 N -0.93 0.00 0.00 1.43 -0.58 -0.49 -4.81 120.64 115.27 1vs6 n GLU 92 Ca 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1vs6 n GLU 92 Cb 0.80 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.67 1vs6 n GLU 92 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1vs6 n GLN 93 N 0.00 0.00 -1.69 3.49 0.00 -1.26 -4.99 117.38 112.94 1vs6 n GLN 93 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.61 1vs6 n GLN 93 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 1vs6 n GLN 93 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1vs6 s PRO 94 N -0.97 2.51 0.30 3.69 0.04 -1.26 0.03 135.00 139.34 1vs6 s PRO 94 Ca 0.00 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 1vs6 s PRO 94 Cb 0.00 -4.47 -0.10 0.00 0.04 0.00 0.00 34.50 29.97 1vs6 s PRO 94 CO 0.00 -2.82 1.22 -1.50 0.04 0.00 0.00 177.00 173.94 1vs6 s ILE 95 N 10.41 3.09 0.00 0.56 2.07 -1.07 -4.82 121.20 131.45 1vs6 s ILE 95 Ca 0.92 1.08 0.00 0.00 -1.41 0.00 0.00 60.65 61.24 1vs6 s ILE 95 Cb -0.20 -3.69 0.00 0.00 0.13 0.00 0.00 42.46 38.70 1vs6 s ILE 95 CO 0.28 0.25 0.00 0.61 -1.91 0.00 0.00 174.94 174.17 1vs6 n GLY 96 N 1.10 1.05 0.07 1.50 0.00 -1.26 -4.71 105.19 102.93 1vs6 n GLY 96 Ca -0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1vs6 n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vs6 n THR 97 N -1.39 0.00 -4.10 2.61 -2.24 -1.26 -5.07 114.28 102.83 1vs6 n THR 97 Ca 0.00 0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 61.96 1vs6 n THR 97 Cb 0.00 -1.45 -0.03 0.00 -2.10 0.00 0.00 70.33 66.75 1vs6 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vs6 s ARG 98 N -0.97 2.25 -0.01 -0.78 3.03 -1.26 -5.06 118.95 116.15 1vs6 s ARG 98 Ca 0.00 -2.04 0.04 0.00 2.03 0.00 0.00 55.73 55.76 1vs6 s ARG 98 Cb 0.00 -1.97 -0.01 0.00 -1.03 0.00 0.00 34.95 31.93 1vs6 s ARG 98 CO 0.00 -0.45 -0.13 0.42 -1.13 0.00 0.00 175.30 174.00 1vs6 s ILE 99 N -2.75 1.06 0.60 4.99 1.09 -1.26 -4.40 121.20 120.53 1vs6 s ILE 99 Ca 0.30 -0.61 -0.01 0.00 -1.10 0.00 0.00 60.65 59.23 1vs6 s ILE 99 Cb -0.00 -0.89 0.05 0.00 -1.06 0.00 0.00 42.46 40.55 1vs6 s ILE 99 CO 0.18 0.27 0.85 -0.36 -0.10 0.00 0.00 174.94 175.79 1vs6 s PHE 100 N -0.36 2.82 0.00 3.97 0.40 0.40 -2.53 117.98 122.68 1vs6 s PHE 100 Ca 0.05 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 1vs6 s PHE 100 Cb -0.05 -2.90 0.00 0.00 0.51 0.00 0.00 43.02 40.58 1vs6 s PHE 100 CO -0.00 -1.07 0.00 0.41 0.70 0.00 0.00 175.22 175.26 1vs6 n GLY 101 N -2.53 0.32 2.12 4.36 0.00 -1.26 -4.78 105.19 103.41 1vs6 n GLY 101 Ca 0.08 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 1vs6 n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vs6 n PRO 102 N -0.21 -0.78 -3.32 1.61 -0.04 -1.26 -4.36 135.00 126.64 1vs6 n PRO 102 Ca 0.00 -1.13 -0.11 0.00 -0.04 0.00 0.00 63.50 62.22 1vs6 n PRO 102 Cb 0.00 -0.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 1vs6 n PRO 102 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1vs6 n VAL 103 N -3.05 0.00 -4.13 0.52 0.24 -0.98 -4.86 118.33 106.08 1vs6 n VAL 103 Ca 0.09 -1.32 -0.30 0.00 -2.04 0.00 0.00 64.34 60.77 1vs6 n VAL 103 Cb 0.32 0.79 -0.08 0.00 -1.47 0.00 0.00 33.84 33.40 1vs6 n VAL 103 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1vs6 s THR 104 N -2.73 4.12 0.13 3.34 -4.23 -1.26 -4.75 115.64 110.25 1vs6 s THR 104 Ca 0.22 -0.91 0.33 0.00 -1.18 0.00 0.00 61.69 60.14 1vs6 s THR 104 Cb -0.00 -2.95 0.37 0.00 1.34 0.00 0.00 72.50 71.25 1vs6 s THR 104 CO 0.15 0.15 1.98 0.08 -0.54 0.00 0.00 174.62 176.44 1vs6 h ARG 105 N 3.50 0.00 0.00 3.99 0.11 -1.97 -1.31 114.38 118.71 1vs6 h ARG 105 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1vs6 h ARG 105 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1vs6 h ARG 105 CO 0.61 0.03 -0.62 0.93 0.10 0.00 0.00 179.97 181.02 1vs6 h GLU 106 N 0.00 0.00 0.00 0.08 3.07 -1.99 -3.27 114.58 112.46 1vs6 h GLU 106 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1vs6 h GLU 106 Cb 0.52 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1vs6 h GLU 106 CO 0.00 0.00 -0.08 1.25 -1.40 0.00 0.00 179.01 178.78 1vs6 h LEU 107 N 0.00 0.00 0.00 1.33 5.85 -1.62 -2.64 115.31 118.23 1vs6 h LEU 107 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1vs6 h LEU 107 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1vs6 h LEU 107 CO 0.00 0.08 0.00 -2.11 -0.34 0.00 0.00 178.44 176.07 1vs6 n ARG 108 N -3.24 0.57 -1.72 1.25 1.85 -1.23 -4.32 116.66 109.82 1vs6 n ARG 108 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 57.85 56.25 1vs6 n ARG 108 Cb 0.33 -1.08 -0.08 0.00 -1.05 0.00 0.00 32.46 30.58 1vs6 n ARG 108 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1vs6 n SER 109 N -0.58 2.04 0.00 2.89 3.41 -1.00 -4.38 113.62 116.00 1vs6 n SER 109 Ca 0.02 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1vs6 n SER 109 Cb 0.01 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1vs6 n SER 109 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vs6 n GLU 110 N 4.92 0.00 -0.41 4.33 4.71 -1.26 -0.13 120.64 132.79 1vs6 n GLU 110 Ca 0.27 0.00 0.35 0.00 -0.01 0.00 0.00 57.16 57.78 1vs6 n GLU 110 Cb 0.08 0.00 0.68 0.00 -1.01 0.00 0.00 31.44 31.19 1vs6 n GLU 110 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1vs6 h LYS 111 N 0.00 0.12 0.00 3.49 1.57 -1.97 -3.12 116.57 116.66 1vs6 h LYS 111 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1vs6 h LYS 111 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1vs6 h LYS 111 CO 0.00 0.08 0.00 1.19 -0.57 0.00 0.00 179.45 180.15 1vs6 n PHE 112 N -4.39 0.00 0.00 -1.35 0.99 0.82 -4.75 117.46 108.77 1vs6 n PHE 112 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 1vs6 n PHE 112 Cb 1.32 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.80 1vs6 n PHE 112 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1vs6 n MET 113 N -0.10 0.00 -0.05 -1.08 2.81 -1.18 -4.57 117.12 112.95 1vs6 n MET 113 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1vs6 n MET 113 Cb 0.00 -0.05 -0.05 0.00 -0.71 0.00 0.00 33.22 32.41 1vs6 n MET 113 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1vs6 h LYS 114 N 0.00 -0.22 -0.96 0.03 1.63 -1.88 -2.77 116.57 112.40 1vs6 h LYS 114 Ca 0.00 0.01 0.29 0.00 -0.85 0.00 0.00 60.65 60.11 1vs6 h LYS 114 Cb 0.00 0.05 -0.15 0.00 -0.60 0.00 0.00 32.23 31.53 1vs6 h LYS 114 CO 0.00 -0.14 0.43 0.97 -3.45 0.00 0.00 179.45 177.26 1vs6 h ILE 115 N -0.22 0.28 0.00 2.00 2.10 -1.96 0.79 117.51 120.51 1vs6 h ILE 115 Ca 0.03 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1vs6 h ILE 115 Cb 0.30 -0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.03 1vs6 h ILE 115 CO -0.26 0.05 0.00 0.16 -1.08 0.00 0.00 178.15 177.01 1vs6 h ILE 116 N 0.26 0.00 0.00 2.19 3.07 -1.82 -1.62 117.51 119.59 1vs6 h ILE 116 Ca 0.67 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.72 1vs6 h ILE 116 Cb 1.49 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.27 1vs6 h ILE 116 CO -0.64 0.00 0.00 -0.24 -1.05 0.00 0.00 178.15 176.22 1vs6 n SER 117 N -2.70 0.00 -0.50 2.16 2.88 0.27 -4.75 113.62 110.98 1vs6 n SER 117 Ca 0.01 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1vs6 n SER 117 Cb 0.26 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1vs6 n SER 117 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1vs6 n LEU 118 N -1.41 0.00 -3.79 2.46 4.32 -0.61 -4.88 117.00 113.09 1vs6 n LEU 118 Ca 0.06 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.81 1vs6 n LEU 118 Cb 0.17 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.98 1vs6 n LEU 118 CO 0.14 0.00 -0.13 0.00 -1.22 0.00 0.00 177.39 176.18 1vs6 n ALA 119 N -3.00 -2.04 -0.61 -1.18 0.00 -1.05 -4.52 120.51 108.10 1vs6 n ALA 119 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 1vs6 n ALA 119 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 1vs6 n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vs6 n PRO 120 N -4.31 0.00 0.00 0.00 -0.02 -1.26 -4.40 135.00 125.01 1vs6 n PRO 120 Ca -0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 1vs6 n PRO 120 Cb 0.68 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 1vs6 n PRO 120 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1vs6 n GLU 121 N 2.65 0.00 -0.48 -0.52 1.02 -1.26 -4.86 120.64 117.19 1vs6 n GLU 121 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1vs6 n GLU 121 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1vs6 n GLU 121 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59