#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 h ALA 2 N 0.00 0.04 0.00 0.00 0.00 -2.03 -3.46 119.26 113.81 1vs6 h ALA 2 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1vs6 h ALA 2 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1vs6 h ALA 2 CO 0.00 0.91 0.00 1.63 0.00 0.00 0.00 179.25 181.79 1vs6 n LYS 3 N -3.58 0.00 -1.50 0.00 4.01 -1.26 -4.77 118.16 111.06 1vs6 n LYS 3 Ca -0.12 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.33 1vs6 n LYS 3 Cb 1.05 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 35.41 1vs6 n LYS 3 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1vs6 n ILE 4 N 0.00 -0.00 -1.47 -0.18 5.41 -1.26 -4.87 119.36 116.98 1vs6 n ILE 4 Ca 0.00 -0.20 -0.04 0.00 1.00 0.00 0.00 62.75 63.51 1vs6 n ILE 4 Cb 0.00 -0.50 0.03 0.00 -0.71 0.00 0.00 39.64 38.46 1vs6 n ILE 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1vs6 n ARG 5 N 7.66 -0.01 -1.18 0.38 0.63 -1.26 -4.73 116.66 118.15 1vs6 n ARG 5 Ca 0.65 -0.36 -0.30 0.00 -0.92 0.00 0.00 57.85 56.91 1vs6 n ARG 5 Cb 0.10 -0.19 0.12 0.00 0.45 0.00 0.00 32.46 32.94 1vs6 n ARG 5 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1vs6 s ARG 6 N -3.29 1.64 0.00 -0.14 0.52 -1.26 -2.93 118.95 113.49 1vs6 s ARG 6 Ca 0.12 1.02 0.00 0.00 -0.52 0.00 0.00 55.73 56.35 1vs6 s ARG 6 Cb -0.00 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1vs6 s ARG 6 CO 0.08 -2.03 0.00 -3.47 0.02 0.00 0.00 175.30 169.90 1vs6 n ASP 7 N -3.77 0.00 -4.57 0.23 2.03 -0.83 -4.81 116.55 104.83 1vs6 n ASP 7 Ca 0.08 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.19 1vs6 n ASP 7 Cb 0.54 -1.72 -0.07 0.00 -0.72 0.00 0.00 41.12 39.15 1vs6 n ASP 7 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1vs6 s ASP 8 N -2.13 4.36 -0.26 1.67 -1.08 -1.15 -3.77 116.67 114.31 1vs6 s ASP 8 Ca 0.00 -0.67 -0.29 0.00 -0.52 0.00 0.00 52.55 51.07 1vs6 s ASP 8 Cb 0.00 -2.57 -0.06 0.00 -1.46 0.00 0.00 42.92 38.83 1vs6 s ASP 8 CO 0.00 -3.59 2.23 1.21 0.52 0.00 0.00 175.17 175.54 1vs6 n GLU 9 N 8.61 1.74 -1.69 4.34 0.00 -1.26 -4.26 120.64 128.12 1vs6 n GLU 9 Ca 0.43 0.46 0.00 0.00 0.00 0.00 0.00 57.16 58.05 1vs6 n GLU 9 Cb 0.46 -3.10 0.00 0.00 0.00 0.00 0.00 31.44 28.80 1vs6 n GLU 9 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1vs6 n VAL 10 N 7.68 0.00 -4.20 6.31 0.24 -0.74 -4.41 118.33 123.20 1vs6 n VAL 10 Ca 0.33 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.51 1vs6 n VAL 10 Cb 0.41 -0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 32.43 1vs6 n VAL 10 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1vs6 s ILE 11 N -0.44 0.87 0.11 1.34 -1.09 -0.97 -4.07 121.20 116.95 1vs6 s ILE 11 Ca 0.00 -1.96 -0.28 0.00 -2.23 0.00 0.00 60.65 56.18 1vs6 s ILE 11 Cb 0.00 -1.72 -0.06 0.00 -1.58 0.00 0.00 42.46 39.10 1vs6 s ILE 11 CO 0.00 -0.82 0.88 -0.69 -1.23 0.00 0.00 174.94 173.08 1vs6 s VAL 12 N -3.47 4.52 0.00 2.92 1.01 -0.96 -0.55 120.40 123.87 1vs6 s VAL 12 Ca 0.13 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.01 1vs6 s VAL 12 Cb 0.04 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1vs6 s VAL 12 CO -0.03 0.37 0.00 -0.11 0.00 0.00 0.00 175.10 175.33 1vs6 n LEU 13 N 2.54 0.00 0.00 3.92 0.00 -1.26 -2.49 117.00 119.71 1vs6 n LEU 13 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1vs6 n LEU 13 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.91 1vs6 n LEU 13 CO 0.49 0.00 0.00 0.41 0.00 0.00 0.00 177.39 178.29 1vs6 n THR 14 N 0.00 0.00 -3.32 1.96 -1.04 -1.26 -4.61 114.28 106.01 1vs6 n THR 14 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1vs6 n THR 14 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1vs6 n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vs6 n GLY 15 N 0.00 1.38 7.00 3.41 0.00 -1.26 -5.07 105.19 110.66 1vs6 n GLY 15 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1vs6 n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs6 n LYS 16 N 0.00 0.00 0.00 1.61 3.00 -1.26 -3.58 118.16 117.93 1vs6 n LYS 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vs6 n LYS 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1vs6 n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1vs6 n ASP 17 N 9.70 0.00 -1.47 3.14 9.92 -1.26 -4.97 116.55 131.61 1vs6 n ASP 17 Ca 0.00 0.97 0.12 0.00 -0.53 0.00 0.00 54.79 55.35 1vs6 n ASP 17 Cb 0.00 -0.47 -0.07 0.00 -0.64 0.00 0.00 41.12 39.94 1vs6 n ASP 17 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1vs6 n LYS 18 N -2.45 -3.45 -4.20 -1.24 5.02 -1.24 -4.77 118.16 105.84 1vs6 n LYS 18 Ca 0.00 2.78 -0.36 0.00 -2.02 0.00 0.00 58.31 58.71 1vs6 n LYS 18 Cb 0.00 -3.83 -0.02 0.00 -0.02 0.00 0.00 35.03 31.16 1vs6 n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vs6 n GLY 19 N -3.81 -0.45 3.40 0.72 0.00 -1.04 -4.85 105.19 99.16 1vs6 n GLY 19 Ca -0.07 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1vs6 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs6 s LYS 20 N -6.91 1.46 0.00 1.61 1.02 -1.26 -4.93 119.74 110.73 1vs6 s LYS 20 Ca 0.73 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1vs6 s LYS 20 Cb -0.39 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1vs6 s LYS 20 CO 0.92 0.34 0.00 0.54 -0.92 0.00 0.00 175.35 176.23 1vs6 n ARG 21 N 0.10 0.00 -0.26 1.68 1.74 -1.26 -2.26 116.66 116.40 1vs6 n ARG 21 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1vs6 n ARG 21 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 1vs6 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vs6 n GLY 22 N 1.42 -3.50 0.00 -0.13 0.00 -1.26 -3.87 105.19 97.85 1vs6 n GLY 22 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1vs6 n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vs6 n LYS 23 N -0.48 0.52 0.00 1.61 2.85 -1.26 -1.79 118.16 119.60 1vs6 n LYS 23 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vs6 n LYS 23 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vs6 n LYS 23 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1vs6 n VAL 24 N 0.00 0.00 -4.68 0.58 0.31 -1.25 -4.35 118.33 108.95 1vs6 n VAL 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vs6 n VAL 24 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1vs6 n VAL 24 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1vs6 n LYS 25 N 0.00 0.00 -2.76 5.55 4.01 -1.26 -1.97 118.16 121.73 1vs6 n LYS 25 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.76 1vs6 n LYS 25 Cb 0.00 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 34.57 1vs6 n LYS 25 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1vs6 n ASN 26 N -1.72 1.05 -4.47 4.39 5.15 -1.26 -4.66 115.26 113.73 1vs6 n ASN 26 Ca 0.00 -2.29 -0.39 0.00 -0.60 0.00 0.00 54.58 51.29 1vs6 n ASN 26 Cb 0.00 -0.30 0.02 0.00 -0.53 0.00 0.00 39.78 38.97 1vs6 n ASN 26 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1vs6 n VAL 27 N -0.51 2.06 -3.72 3.44 3.14 -1.05 -4.44 118.33 117.25 1vs6 n VAL 27 Ca 0.05 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.80 1vs6 n VAL 27 Cb 0.82 -0.66 -0.10 0.00 -1.06 0.00 0.00 33.84 32.84 1vs6 n VAL 27 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1vs6 s LEU 28 N 1.06 0.31 -0.22 6.55 1.43 -1.09 -4.83 118.68 121.89 1vs6 s LEU 28 Ca 0.66 0.88 -0.32 0.00 -1.03 0.00 0.00 54.13 54.32 1vs6 s LEU 28 Cb -0.51 1.50 -0.09 0.00 0.03 0.00 0.00 46.19 47.12 1vs6 s LEU 28 CO 0.56 -0.15 2.12 -1.20 0.23 0.00 0.00 176.35 177.91 1vs6 n SER 29 N 2.90 2.97 0.00 2.29 7.64 -1.26 0.22 113.62 128.37 1vs6 n SER 29 Ca -0.14 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1vs6 n SER 29 Cb 0.57 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1vs6 n SER 29 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1vs6 n SER 30 N 9.74 -2.41 0.00 6.43 7.64 -1.26 -4.92 113.62 128.84 1vs6 n SER 30 Ca 0.32 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1vs6 n SER 30 Cb 0.34 -1.92 0.00 0.00 -1.01 0.00 0.00 64.21 61.62 1vs6 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vs6 n GLY 31 N -1.29 0.75 3.50 0.23 0.00 0.60 -5.14 105.19 103.84 1vs6 n GLY 31 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1vs6 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vs6 s LYS 32 N 1.05 1.92 -0.38 1.61 -2.85 -1.25 -4.81 119.74 115.03 1vs6 s LYS 32 Ca 0.00 -1.75 0.02 0.00 -1.00 0.00 0.00 55.97 53.24 1vs6 s LYS 32 Cb 0.00 0.45 0.12 0.00 -2.06 0.00 0.00 37.83 36.33 1vs6 s LYS 32 CO 0.00 -0.80 0.15 0.08 0.10 0.00 0.00 175.35 174.89 1vs6 s VAL 33 N -3.04 1.53 0.03 1.79 1.01 -1.26 -2.54 120.40 117.92 1vs6 s VAL 33 Ca 0.30 -2.20 -0.29 0.00 0.00 0.00 0.00 61.98 59.80 1vs6 s VAL 33 Cb -0.01 -2.11 -0.16 0.00 0.00 0.00 0.00 36.38 34.11 1vs6 s VAL 33 CO 0.20 -0.75 1.23 0.40 0.00 0.00 0.00 175.10 176.18 1vs6 h ILE 34 N 5.99 0.00 0.00 2.22 2.04 -1.81 -3.41 117.51 122.54 1vs6 h ILE 34 Ca -0.07 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1vs6 h ILE 34 Cb 0.97 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1vs6 h ILE 34 CO 0.51 0.00 0.00 0.52 0.00 0.00 0.00 178.15 179.18 1vs6 n VAL 35 N -5.33 0.00 0.00 1.67 0.31 -1.26 -4.58 118.33 109.14 1vs6 n VAL 35 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1vs6 n VAL 35 Cb 0.41 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 1vs6 n VAL 35 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vs6 n GLU 36 N 12.67 0.04 -0.57 5.55 -0.58 -1.26 -4.25 120.64 132.23 1vs6 n GLU 36 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1vs6 n GLU 36 Cb 0.00 -0.25 0.08 0.00 -0.57 0.00 0.00 31.44 30.70 1vs6 n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vs6 n GLY 37 N 0.01 3.16 2.77 0.62 0.00 -1.26 -4.69 105.19 105.79 1vs6 n GLY 37 Ca 0.00 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 1vs6 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vs6 s ILE 38 N -1.54 -0.40 0.00 -0.61 1.01 -1.26 -4.76 121.20 113.64 1vs6 s ILE 38 Ca 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1vs6 s ILE 38 Cb 0.22 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1vs6 s ILE 38 CO 0.05 -0.40 0.00 -3.20 0.00 0.00 0.00 174.94 171.40 1vs6 n ASN 39 N 5.32 0.00 -4.98 3.58 4.05 -1.26 -2.86 115.26 119.11 1vs6 n ASN 39 Ca -0.03 0.00 -0.20 0.00 0.45 0.00 0.00 54.58 54.80 1vs6 n ASN 39 Cb 0.47 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.48 1vs6 n ASN 39 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1vs6 s LEU 40 N 0.00 4.00 -0.05 1.20 1.98 -1.26 -5.04 118.68 119.52 1vs6 s LEU 40 Ca 0.00 -0.00 -0.30 0.00 -2.89 0.00 0.00 54.13 50.94 1vs6 s LEU 40 Cb 0.00 -2.89 -0.05 0.00 0.66 0.00 0.00 46.19 43.91 1vs6 s LEU 40 CO 0.00 -0.38 1.56 0.54 -1.89 0.00 0.00 176.35 176.17 1vs6 s VAL 41 N -2.20 3.65 0.00 1.68 0.11 -1.26 -4.85 120.40 117.53 1vs6 s VAL 41 Ca 0.43 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 60.34 1vs6 s VAL 41 Cb -0.09 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1vs6 s VAL 41 CO 0.32 -0.06 0.00 0.29 -3.33 0.00 0.00 175.10 172.32 1vs6 n LYS 42 N 6.61 1.36 -3.62 1.54 4.01 -1.20 -5.10 118.16 121.75 1vs6 n LYS 42 Ca 0.16 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.93 1vs6 n LYS 42 Cb 0.43 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.93 1vs6 n LYS 42 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1vs6 s LYS 43 N 4.45 0.14 0.01 1.97 0.00 -1.25 -4.69 119.74 120.37 1vs6 s LYS 43 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 55.97 55.96 1vs6 s LYS 43 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 37.83 37.88 1vs6 s LYS 43 CO 0.00 -0.06 -0.13 -1.01 0.00 0.00 0.00 175.35 174.15 1vs6 s HIS 44 N -2.18 1.17 0.00 1.78 3.76 -1.26 -4.74 115.29 113.82 1vs6 s HIS 44 Ca 0.11 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1vs6 s HIS 44 Cb -0.00 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 32.96 1vs6 s HIS 44 CO -0.03 0.01 0.00 1.04 -0.85 0.00 0.00 174.74 174.90 1vs6 n GLN 45 N 2.35 0.00 -2.70 1.40 6.02 -1.26 -4.44 117.38 118.75 1vs6 n GLN 45 Ca -0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.77 1vs6 n GLN 45 Cb 0.55 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.90 1vs6 n GLN 45 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1vs6 n LYS 46 N 0.00 1.29 -0.29 -1.09 4.76 -1.26 -4.19 118.16 117.37 1vs6 n LYS 46 Ca 0.00 -2.26 -0.05 0.00 -2.87 0.00 0.00 58.31 53.13 1vs6 n LYS 46 Cb 0.00 -0.44 0.01 0.00 -1.84 0.00 0.00 35.03 32.76 1vs6 n LYS 46 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1vs6 h PRO 47 N 2.12 -0.10 -5.20 1.97 0.11 -1.95 -3.39 132.00 125.56 1vs6 h PRO 47 Ca -0.25 0.01 -0.46 0.00 0.11 0.00 0.00 66.00 65.40 1vs6 h PRO 47 Cb 1.27 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 1vs6 h PRO 47 CO 0.08 -0.07 1.68 0.28 -0.21 0.00 0.00 178.00 179.77 1vs6 n VAL 48 N -5.43 -0.03 1.01 3.15 0.31 -1.26 -4.72 118.33 111.36 1vs6 n VAL 48 Ca 0.06 -0.30 0.09 0.00 -0.01 0.00 0.00 64.34 64.18 1vs6 n VAL 48 Cb 0.37 -1.23 0.49 0.00 -0.91 0.00 0.00 33.84 32.56 1vs6 n VAL 48 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1vs6 n PRO 49 N 8.48 0.47 -0.96 5.55 -0.04 -1.26 -4.69 135.00 142.54 1vs6 n PRO 49 Ca 0.57 0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.83 1vs6 n PRO 49 Cb 0.21 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.35 1vs6 n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vs6 n ALA 50 N -1.06 -2.30 -0.10 0.55 0.00 -1.26 -4.98 120.51 111.36 1vs6 n ALA 50 Ca 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1vs6 n ALA 50 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1vs6 n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1vs6 n LEU 51 N 0.00 0.00 -4.47 0.00 7.94 -1.26 -4.49 117.00 114.72 1vs6 n LEU 51 Ca 0.12 0.95 -0.47 0.00 -1.11 0.00 0.00 56.01 55.50 1vs6 n LEU 51 Cb 0.45 -0.45 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1vs6 n LEU 51 CO 0.32 -0.45 1.88 0.59 -1.11 0.00 0.00 177.39 178.62 1vs6 n ASN 52 N -2.21 2.06 -3.87 1.96 3.02 -1.26 -4.88 115.26 110.08 1vs6 n ASN 52 Ca 0.00 0.24 -0.32 0.00 -0.03 0.00 0.00 54.58 54.47 1vs6 n ASN 52 Cb 0.00 -1.30 -0.08 0.00 -0.61 0.00 0.00 39.78 37.80 1vs6 n ASN 52 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vs6 n GLN 53 N 8.38 2.58 -0.02 3.52 1.13 -1.26 -4.76 117.38 126.96 1vs6 n GLN 53 Ca 0.42 -4.54 -0.01 0.00 -1.94 0.00 0.00 57.00 50.93 1vs6 n GLN 53 Cb 0.27 -2.35 -0.00 0.00 0.11 0.00 0.00 30.24 28.27 1vs6 n GLN 53 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1vs6 h PRO 54 N 5.31 0.00 0.00 -1.09 0.13 -1.89 -3.50 132.00 130.96 1vs6 h PRO 54 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1vs6 h PRO 54 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1vs6 h PRO 54 CO 0.86 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.04 1vs6 n GLY 55 N 1.72 0.20 0.00 1.56 0.00 -1.26 -4.91 105.19 102.51 1vs6 n GLY 55 Ca -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1vs6 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 56 N 0.00 0.00 0.34 -0.02 0.00 -1.26 -4.91 105.19 99.34 1vs6 n GLY 56 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1vs6 n GLY 56 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1vs6 h ILE 57 N 0.00 0.03 -2.85 -0.61 2.10 -1.85 -3.40 117.51 110.93 1vs6 h ILE 57 Ca 0.00 0.00 -0.64 0.00 1.08 0.00 0.00 64.86 65.30 1vs6 h ILE 57 Cb 0.00 0.49 -0.05 0.00 -1.09 0.00 0.00 36.82 36.17 1vs6 h ILE 57 CO 0.00 0.00 -0.50 -0.69 -1.08 0.00 0.00 178.15 175.88 1vs6 s VAL 58 N -4.12 5.37 0.56 2.19 1.01 -1.26 -3.26 120.40 120.88 1vs6 s VAL 58 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1vs6 s VAL 58 Cb 0.07 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1vs6 s VAL 58 CO 0.23 0.29 0.00 -0.62 0.00 0.00 0.00 175.10 175.01 1vs6 n GLU 59 N 0.85 -3.55 -3.70 2.72 -0.58 -1.26 -4.99 120.64 110.13 1vs6 n GLU 59 Ca -0.10 2.80 0.00 0.00 -0.42 0.00 0.00 57.16 59.44 1vs6 n GLU 59 Cb 0.52 -3.65 0.00 0.00 -0.57 0.00 0.00 31.44 27.74 1vs6 n GLU 59 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1vs6 n LYS 60 N -3.08 -1.49 -4.56 3.49 3.00 -1.26 -4.81 118.16 109.45 1vs6 n LYS 60 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.02 1vs6 n LYS 60 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.43 1vs6 n LYS 60 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1vs6 s GLU 61 N -1.40 1.84 -0.40 1.64 1.03 -1.26 -4.88 118.70 115.28 1vs6 s GLU 61 Ca 0.00 -1.97 0.08 0.00 0.03 0.00 0.00 54.97 53.11 1vs6 s GLU 61 Cb 0.00 -1.67 0.26 0.00 -0.80 0.00 0.00 34.13 31.92 1vs6 s GLU 61 CO 0.00 0.09 0.57 0.00 -1.33 0.00 0.00 175.26 174.59 1vs6 n ALA 62 N -0.83 2.11 0.00 -0.84 0.00 -1.13 -4.85 120.51 114.96 1vs6 n ALA 62 Ca -0.05 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.14 1vs6 n ALA 62 Cb 0.64 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1vs6 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 63 N 1.34 0.00 -0.64 0.00 0.00 -1.26 -4.85 120.51 115.09 1vs6 n ALA 63 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1vs6 n ALA 63 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1vs6 n ALA 63 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1vs6 n ILE 64 N -0.00 -2.72 -1.43 0.00 0.00 -1.26 -4.24 119.36 109.71 1vs6 n ILE 64 Ca 0.00 0.96 -0.37 0.00 0.00 0.00 0.00 62.75 63.33 1vs6 n ILE 64 Cb 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 39.64 38.20 1vs6 n ILE 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vs6 n GLN 65 N -0.69 0.53 0.29 9.51 1.13 -1.26 -4.24 117.38 122.65 1vs6 n GLN 65 Ca 0.00 0.22 0.19 0.00 -1.94 0.00 0.00 57.00 55.46 1vs6 n GLN 65 Cb 0.00 -1.90 0.97 0.00 0.11 0.00 0.00 30.24 29.42 1vs6 n GLN 65 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1vs6 h VAL 66 N 0.05 0.20 -0.04 5.09 2.07 -1.94 -3.35 116.25 118.33 1vs6 h VAL 66 Ca -0.46 0.00 -0.48 0.00 0.82 0.00 0.00 66.70 66.58 1vs6 h VAL 66 Cb 1.37 0.86 0.10 0.00 -1.52 0.00 0.00 31.29 32.10 1vs6 h VAL 66 CO 0.46 0.00 1.24 -1.20 0.02 0.00 0.00 177.57 178.09 1vs6 n SER 67 N -3.34 1.38 -4.57 0.57 7.64 -1.26 -4.82 113.62 109.21 1vs6 n SER 67 Ca -0.01 -2.53 -0.25 0.00 1.01 0.00 0.00 58.87 57.08 1vs6 n SER 67 Cb 0.24 -0.88 -0.10 0.00 -1.01 0.00 0.00 64.21 62.46 1vs6 n SER 67 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1vs6 s ASN 68 N 6.98 3.91 -0.24 6.43 3.04 -1.26 -4.61 114.94 129.19 1vs6 s ASN 68 Ca 0.70 -1.09 -0.37 0.00 0.04 0.00 0.00 52.86 52.14 1vs6 s ASN 68 Cb 0.10 -0.43 -0.14 0.00 -1.54 0.00 0.00 41.25 39.25 1vs6 s ASN 68 CO 0.28 -0.18 1.87 0.52 -3.04 0.00 0.00 177.10 176.55 1vs6 n VAL 69 N -0.84 0.38 -1.12 -5.21 0.31 0.29 -4.85 118.33 107.29 1vs6 n VAL 69 Ca -0.05 -0.11 -0.36 0.00 -0.01 0.00 0.00 64.34 63.81 1vs6 n VAL 69 Cb 0.63 -1.51 0.06 0.00 -0.91 0.00 0.00 33.84 32.11 1vs6 n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vs6 n ALA 70 N 6.62 -3.00 -0.08 3.52 0.00 -1.26 -2.28 120.51 124.03 1vs6 n ALA 70 Ca 0.28 -0.38 0.04 0.00 0.00 0.00 0.00 53.44 53.38 1vs6 n ALA 70 Cb 0.20 -1.58 0.08 0.00 0.00 0.00 0.00 19.45 18.15 1vs6 n ALA 70 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1vs6 n ILE 71 N -2.45 -0.10 -1.62 0.00 0.00 -1.26 -4.08 119.36 109.85 1vs6 n ILE 71 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 62.75 63.31 1vs6 n ILE 71 Cb 0.52 -0.75 0.00 0.00 0.00 0.00 0.00 39.64 39.41 1vs6 n ILE 71 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1vs6 n PHE 72 N -4.01 -4.08 0.03 9.51 7.35 -1.12 -4.24 117.46 120.90 1vs6 n PHE 72 Ca 0.06 2.21 -0.01 0.00 -0.76 0.00 0.00 57.45 58.95 1vs6 n PHE 72 Cb 0.19 -3.36 -0.00 0.00 0.35 0.00 0.00 39.48 36.66 1vs6 n PHE 72 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1vs6 n ASN 73 N 0.65 0.95 0.00 -2.13 4.13 -1.26 -4.98 115.26 112.62 1vs6 n ASN 73 Ca 0.00 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1vs6 n ASN 73 Cb 0.00 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 37.94 1vs6 n ASN 73 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vs6 n ALA 74 N -3.46 0.00 -1.30 5.41 0.00 -1.26 -4.98 120.51 114.92 1vs6 n ALA 74 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1vs6 n ALA 74 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1vs6 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 75 N -1.68 0.00 -3.00 0.00 0.00 -1.26 -5.12 120.51 109.45 1vs6 n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vs6 n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vs6 n ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vs6 n THR 76 N -0.42 0.00 0.00 0.00 -2.24 -1.26 -5.02 114.28 105.34 1vs6 n THR 76 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vs6 n THR 76 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1vs6 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vs6 n GLY 77 N 0.00 0.00 2.72 3.38 0.00 -1.26 -4.58 105.19 105.45 1vs6 n GLY 77 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1vs6 n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs6 n LYS 78 N 0.00 -2.11 -1.54 1.61 4.76 -1.26 -2.80 118.16 116.81 1vs6 n LYS 78 Ca 0.00 1.94 -0.43 0.00 -2.87 0.00 0.00 58.31 56.95 1vs6 n LYS 78 Cb 0.00 -5.26 -0.00 0.00 -1.84 0.00 0.00 35.03 27.93 1vs6 n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vs6 n ALA 79 N -0.37 -0.72 -1.44 7.82 0.00 -1.26 -4.23 120.51 120.32 1vs6 n ALA 79 Ca 0.10 0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 1vs6 n ALA 79 Cb 0.42 -1.93 0.17 0.00 0.00 0.00 0.00 19.45 18.11 1vs6 n ALA 79 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vs6 n ASP 80 N 1.08 3.41 -3.45 0.00 3.85 -1.26 -1.59 116.55 118.58 1vs6 n ASP 80 Ca 0.11 -3.75 -0.35 0.00 -0.71 0.00 0.00 54.79 50.09 1vs6 n ASP 80 Cb 0.36 -0.70 -0.04 0.00 -1.35 0.00 0.00 41.12 39.40 1vs6 n ASP 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1vs6 n ARG 81 N -1.08 1.85 -3.54 0.11 3.00 -1.26 -4.29 116.66 111.45 1vs6 n ARG 81 Ca 0.43 -1.75 -0.14 0.00 -0.01 0.00 0.00 57.85 56.39 1vs6 n ARG 81 Cb 1.16 -2.76 -0.05 0.00 0.00 0.00 0.00 32.46 30.81 1vs6 n ARG 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1vs6 s VAL 82 N 4.22 0.02 -0.07 1.55 1.01 -1.26 -5.02 120.40 120.85 1vs6 s VAL 82 Ca 0.50 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1vs6 s VAL 82 Cb 0.13 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1vs6 s VAL 82 CO 0.04 -0.11 -0.21 -0.83 0.00 0.00 0.00 175.10 173.99 1vs6 s GLY 83 N -2.14 1.16 0.00 4.51 0.00 -1.26 -4.01 107.32 105.58 1vs6 s GLY 83 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1vs6 s GLY 83 CO -0.04 -0.40 0.00 0.33 0.00 0.00 0.00 173.10 172.99 1vs6 n PHE 84 N 3.26 -1.31 -3.54 1.90 7.35 -1.00 -4.90 117.46 119.22 1vs6 n PHE 84 Ca -0.19 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.37 1vs6 n PHE 84 Cb 0.52 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.31 1vs6 n PHE 84 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1vs6 s ARG 85 N -0.97 1.08 -1.15 -4.13 3.03 -1.26 -4.96 118.95 110.60 1vs6 s ARG 85 Ca 0.00 -0.25 -0.13 0.00 2.03 0.00 0.00 55.73 57.38 1vs6 s ARG 85 Cb 0.00 0.50 0.13 0.00 -1.03 0.00 0.00 34.95 34.55 1vs6 s ARG 85 CO 0.00 -0.40 0.38 1.19 -1.13 0.00 0.00 175.30 175.34 1vs6 n PHE 86 N 0.29 -1.56 -4.34 5.89 3.01 -1.26 -4.93 117.46 114.56 1vs6 n PHE 86 Ca -0.18 0.42 -0.26 0.00 1.01 0.00 0.00 57.45 58.44 1vs6 n PHE 86 Cb 0.61 -1.76 -0.12 0.00 -0.01 0.00 0.00 39.48 38.19 1vs6 n PHE 86 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1vs6 s GLU 87 N -6.28 1.28 2.74 -1.08 -6.30 -1.26 -5.04 118.70 102.75 1vs6 s GLU 87 Ca 0.48 -1.29 0.00 0.00 -2.50 0.00 0.00 54.97 51.66 1vs6 s GLU 87 Cb -0.28 -1.62 0.00 0.00 0.00 0.00 0.00 34.13 32.24 1vs6 s GLU 87 CO 0.59 0.37 0.00 -0.25 0.02 0.00 0.00 175.26 175.99 1vs6 n ASP 88 N 0.87 -1.96 0.00 -1.70 8.00 -1.26 -4.49 116.55 116.02 1vs6 n ASP 88 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1vs6 n ASP 88 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1vs6 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vs6 n GLY 89 N 0.00 0.00 0.03 0.44 0.00 -1.26 -4.94 105.19 99.46 1vs6 n GLY 89 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1vs6 n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vs6 n LYS 90 N -0.47 0.17 -0.42 1.61 -0.00 -1.26 -5.04 118.16 112.74 1vs6 n LYS 90 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1vs6 n LYS 90 Cb 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 35.03 34.10 1vs6 n LYS 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1vs6 n LYS 91 N -3.13 1.45 0.00 -1.58 5.02 -1.26 -5.04 118.16 113.63 1vs6 n LYS 91 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1vs6 n LYS 91 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 1vs6 n LYS 91 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1vs6 n VAL 92 N -0.74 0.00 -1.27 -0.18 3.14 -1.26 -4.43 118.33 113.59 1vs6 n VAL 92 Ca 0.00 0.00 -0.46 0.00 -2.96 0.00 0.00 64.34 60.92 1vs6 n VAL 92 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 1vs6 n VAL 92 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1vs6 n ARG 93 N 0.00 0.00 0.00 1.45 3.00 -1.26 -2.37 116.66 117.48 1vs6 n ARG 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1vs6 n ARG 93 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1vs6 n ARG 93 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1vs6 n PHE 94 N 0.57 0.00 -0.46 -1.55 7.35 -1.26 -4.52 117.46 117.59 1vs6 n PHE 94 Ca 0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1vs6 n PHE 94 Cb 0.15 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.98 1vs6 n PHE 94 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1vs6 n PHE 95 N 0.00 0.00 -1.07 -5.13 -0.00 -1.26 -3.75 117.46 106.24 1vs6 n PHE 95 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.11 1vs6 n PHE 95 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.49 1vs6 n PHE 95 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 1vs6 n LYS 96 N -0.20 0.00 0.00 -4.13 2.85 -1.25 -4.42 118.16 111.01 1vs6 n LYS 96 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vs6 n LYS 96 Cb 0.00 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 1vs6 n LYS 96 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1vs6 n SER 97 N 2.08 1.92 -0.11 -5.58 2.88 -0.62 -3.55 113.62 110.64 1vs6 n SER 97 Ca 0.08 -1.39 -0.21 0.00 -1.33 0.00 0.00 58.87 56.01 1vs6 n SER 97 Cb 0.38 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 1vs6 n SER 97 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1vs6 n ASN 98 N 0.59 1.79 0.00 -3.46 2.85 -1.26 -5.07 115.26 110.69 1vs6 n ASN 98 Ca 0.00 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 1vs6 n ASN 98 Cb 0.33 -0.72 0.00 0.00 1.24 0.00 0.00 39.78 40.62 1vs6 n ASN 98 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1vs6 n SER 99 N -4.19 0.00 -0.00 1.20 3.41 -1.23 -5.18 113.62 107.63 1vs6 n SER 99 Ca -0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 1vs6 n SER 99 Cb 0.74 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 1vs6 n SER 99 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vs6 n GLU 100 N 0.00 3.94 -1.59 4.33 1.02 -1.26 -4.93 120.64 122.14 1vs6 n GLU 100 Ca 0.00 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.70 1vs6 n GLU 100 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1vs6 n GLU 100 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1vs6 n THR 101 N -0.00 2.05 -1.21 2.62 5.66 -1.26 -4.47 114.28 117.66 1vs6 n THR 101 Ca 0.00 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 1vs6 n THR 101 Cb 0.00 -1.04 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 1vs6 n THR 101 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64