#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 s TYR 2 N 0.00 -0.44 -0.01 2.03 2.02 -0.82 -4.57 117.35 115.56 1vs6 s TYR 2 Ca 0.00 0.70 -0.28 0.00 -0.37 0.00 0.00 57.07 57.11 1vs6 s TYR 2 Cb 0.00 -2.85 0.10 0.00 -0.40 0.00 0.00 41.96 38.80 1vs6 s TYR 2 CO 0.00 -4.98 1.28 0.00 -1.57 0.00 0.00 175.55 170.28 1vs6 s ALA 3 N -2.20 -2.43 0.15 3.71 0.00 -1.25 -4.19 121.76 115.55 1vs6 s ALA 3 Ca 0.68 0.07 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 1vs6 s ALA 3 Cb -0.16 0.86 0.06 0.00 0.00 0.00 0.00 23.12 23.88 1vs6 s ALA 3 CO 0.60 -1.14 0.91 0.54 0.00 0.00 0.00 175.76 176.67 1vs6 s VAL 4 N -2.05 0.00 0.00 0.00 0.11 -1.24 -4.48 120.40 112.74 1vs6 s VAL 4 Ca 0.28 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 1vs6 s VAL 4 Cb -0.00 -1.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 1vs6 s VAL 4 CO -0.01 0.00 0.00 0.33 -3.33 0.00 0.00 175.10 172.09 1vs6 n PHE 5 N -0.44 0.00 0.00 1.54 7.35 -1.26 -3.49 117.46 121.15 1vs6 n PHE 5 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1vs6 n PHE 5 Cb 0.61 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.44 1vs6 n PHE 5 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1vs6 n GLN 6 N -0.11 0.00 -1.89 -4.13 6.02 -1.26 -3.66 117.38 112.35 1vs6 n GLN 6 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1vs6 n GLN 6 Cb 0.00 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 1vs6 n GLN 6 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1vs6 n SER 7 N 0.00 -5.15 -3.52 1.08 3.41 -1.26 -3.98 113.62 104.20 1vs6 n SER 7 Ca 0.00 1.04 -0.24 0.00 -0.26 0.00 0.00 58.87 59.41 1vs6 n SER 7 Cb 0.00 -3.53 -0.02 0.00 -0.26 0.00 0.00 64.21 60.40 1vs6 n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vs6 n GLY 8 N 1.08 -0.47 0.00 5.00 0.00 -1.26 -4.57 105.19 104.97 1vs6 n GLY 8 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vs6 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLY 9 N -1.06 3.51 1.69 -0.02 0.00 -1.26 -4.85 105.19 103.20 1vs6 n GLY 9 Ca 0.02 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 1vs6 n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs6 n LYS 10 N -0.66 0.98 -2.10 1.61 4.81 -1.26 -4.34 118.16 117.21 1vs6 n LYS 10 Ca 0.00 -0.16 -0.28 0.00 -0.87 0.00 0.00 58.31 57.00 1vs6 n LYS 10 Cb 0.00 -1.25 -0.05 0.00 0.02 0.00 0.00 35.03 33.75 1vs6 n LYS 10 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1vs6 s GLN 11 N 0.56 2.66 0.00 1.64 2.00 -1.24 -4.14 119.66 121.14 1vs6 s GLN 11 Ca 0.11 -0.38 0.00 0.00 -2.00 0.00 0.00 55.36 53.09 1vs6 s GLN 11 Cb 0.05 -5.09 0.00 0.00 0.80 0.00 0.00 33.01 28.77 1vs6 s GLN 11 CO 0.00 -3.27 0.40 0.72 -0.50 0.00 0.00 175.29 172.64 1vs6 n HIS 12 N 13.48 0.00 0.13 1.67 8.25 -1.26 -4.78 115.22 132.71 1vs6 n HIS 12 Ca 0.40 -0.04 -0.09 0.00 -0.26 0.00 0.00 57.72 57.73 1vs6 n HIS 12 Cb 0.47 0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.78 1vs6 n HIS 12 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1vs6 h ARG 13 N 0.00 -0.45 -6.87 -0.41 1.12 -1.79 -3.28 114.38 102.70 1vs6 h ARG 13 Ca -0.04 0.03 -0.55 0.00 -1.11 0.00 0.00 59.98 58.31 1vs6 h ARG 13 Cb 0.77 0.10 0.19 0.00 -0.01 0.00 0.00 29.97 31.02 1vs6 h ARG 13 CO -0.02 -0.30 -0.15 0.28 -3.11 0.00 0.00 179.97 176.67 1vs6 n VAL 14 N -3.83 1.72 0.00 0.20 0.31 -1.26 -4.47 118.33 111.00 1vs6 n VAL 14 Ca -0.05 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1vs6 n VAL 14 Cb 0.22 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1vs6 n VAL 14 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1vs6 n SER 15 N -1.50 0.00 -0.01 4.52 2.88 -1.26 -4.47 113.62 113.77 1vs6 n SER 15 Ca 0.11 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.64 1vs6 n SER 15 Cb 0.51 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1vs6 n SER 15 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1vs6 n GLU 16 N 0.00 0.09 -0.06 -1.46 0.28 -1.26 -4.62 120.64 113.62 1vs6 n GLU 16 Ca 0.00 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1vs6 n GLU 16 Cb 0.00 -0.78 0.00 0.00 1.43 0.00 0.00 31.44 32.09 1vs6 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vs6 n GLY 17 N 1.59 0.00 3.17 -1.84 0.00 -1.26 -4.21 105.19 102.64 1vs6 n GLY 17 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1vs6 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs6 n GLN 18 N -0.04 -1.39 -4.41 1.61 0.00 -1.21 -5.00 117.38 106.93 1vs6 n GLN 18 Ca 0.00 1.37 -0.26 0.00 0.00 0.00 0.00 57.00 58.11 1vs6 n GLN 18 Cb 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 30.24 27.78 1vs6 n GLN 18 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1vs6 s THR 19 N -1.35 1.95 1.01 -0.39 -1.32 -1.14 -4.89 115.64 109.50 1vs6 s THR 19 Ca 0.12 -1.57 -0.13 0.00 -1.21 0.00 0.00 61.69 58.90 1vs6 s THR 19 Cb -0.02 -1.73 0.12 0.00 -1.51 0.00 0.00 72.50 69.36 1vs6 s THR 19 CO 0.42 0.06 0.63 1.33 -2.21 0.00 0.00 174.62 174.85 1vs6 n VAL 20 N 1.16 0.00 0.00 5.08 0.24 -1.24 -4.46 118.33 119.11 1vs6 n VAL 20 Ca -0.18 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1vs6 n VAL 20 Cb 0.53 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 1vs6 n VAL 20 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1vs6 n ARG 21 N -2.96 0.00 0.00 7.34 1.74 0.24 -4.94 116.66 118.08 1vs6 n ARG 21 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1vs6 n ARG 21 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 1vs6 n ARG 21 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1vs6 n LEU 22 N 0.00 0.00 -4.18 0.55 4.77 -1.26 -3.69 117.00 113.19 1vs6 n LEU 22 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1vs6 n LEU 22 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1vs6 n LEU 22 CO 0.00 0.00 -0.42 -1.83 -1.33 0.00 0.00 177.39 173.81 1vs6 s GLU 23 N 2.09 0.86 0.00 3.23 1.03 -1.26 0.14 118.70 124.79 1vs6 s GLU 23 Ca 0.00 -1.15 0.00 0.00 0.03 0.00 0.00 54.97 53.85 1vs6 s GLU 23 Cb 0.00 -0.58 0.00 0.00 -0.80 0.00 0.00 34.13 32.75 1vs6 s GLU 23 CO 0.00 0.09 0.00 1.63 -1.33 0.00 0.00 175.26 175.65 1vs6 n LYS 24 N 0.60 0.00 0.00 -4.83 5.02 -1.26 -5.02 118.16 112.67 1vs6 n LYS 24 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1vs6 n LYS 24 Cb 0.57 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1vs6 n LYS 24 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vs6 n LEU 25 N 0.00 0.00 -0.17 -0.35 4.77 -1.26 -5.00 117.00 114.99 1vs6 n LEU 25 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1vs6 n LEU 25 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1vs6 n LEU 25 CO 0.00 0.00 0.86 -2.24 -1.33 0.00 0.00 177.39 174.68 1vs6 h ASP 26 N 0.00 -0.17 0.00 -1.43 2.03 -2.09 -3.45 116.42 111.31 1vs6 h ASP 26 Ca 0.00 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1vs6 h ASP 26 Cb 0.00 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1vs6 h ASP 26 CO 0.00 -0.06 0.00 0.00 -1.03 0.00 0.00 179.24 178.15 1vs6 n ILE 27 N -5.21 0.00 -1.98 4.15 0.13 -1.26 -5.17 119.36 110.02 1vs6 n ILE 27 Ca 0.06 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.41 1vs6 n ILE 27 Cb 0.28 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 39.10 1vs6 n ILE 27 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1vs6 s ALA 28 N -0.35 3.08 0.00 1.51 0.00 -1.26 -4.94 121.76 119.80 1vs6 s ALA 28 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1vs6 s ALA 28 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1vs6 s ALA 28 CO 0.00 -0.80 0.00 -2.37 0.00 0.00 0.00 175.76 172.59 1vs6 n THR 29 N -2.77 0.00 0.00 0.00 5.66 -1.26 -5.09 114.28 110.82 1vs6 n THR 29 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1vs6 n THR 29 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1vs6 n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vs6 n GLY 30 N 0.00 1.05 7.00 1.09 0.00 -1.26 -5.02 105.19 108.04 1vs6 n GLY 30 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1vs6 n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vs6 n GLU 31 N 0.00 0.00 0.00 1.61 4.71 -1.26 -4.92 120.64 120.78 1vs6 n GLU 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1vs6 n GLU 31 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1vs6 n GLU 31 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1vs6 n THR 32 N 0.00 0.00 -1.07 2.62 5.66 -1.26 -4.57 114.28 115.67 1vs6 n THR 32 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1vs6 n THR 32 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1vs6 n THR 32 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1vs6 n VAL 33 N -0.35 0.00 -2.55 1.08 0.31 -1.26 -5.06 118.33 110.50 1vs6 n VAL 33 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1vs6 n VAL 33 Cb 0.00 1.51 0.00 0.00 -0.91 0.00 0.00 33.84 34.45 1vs6 n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vs6 n GLU 34 N 0.00 -1.13 -3.20 5.55 -0.58 -1.26 -4.97 120.64 115.04 1vs6 n GLU 34 Ca 0.00 1.32 -0.46 0.00 -0.42 0.00 0.00 57.16 57.61 1vs6 n GLU 34 Cb 0.35 -4.48 -0.03 0.00 -0.57 0.00 0.00 31.44 26.71 1vs6 n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1vs6 s PHE 35 N -2.76 3.41 0.28 -0.32 2.99 -1.26 -4.94 117.98 115.39 1vs6 s PHE 35 Ca 0.05 -1.57 -0.29 0.00 0.00 0.00 0.00 56.93 55.11 1vs6 s PHE 35 Cb -0.01 -3.95 -0.10 0.00 0.00 0.00 0.00 43.02 38.95 1vs6 s PHE 35 CO 0.53 -1.16 1.35 0.00 -0.00 0.00 0.00 175.22 175.94 1vs6 s ALA 36 N 1.37 3.55 0.96 5.36 0.00 -1.26 -2.54 121.76 129.20 1vs6 s ALA 36 Ca 0.18 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1vs6 s ALA 36 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1vs6 s ALA 36 CO -0.04 -0.65 0.00 -0.85 0.00 0.00 0.00 175.76 174.21 1vs6 n GLU 37 N 1.67 2.42 -4.64 0.00 0.28 0.23 -4.89 120.64 115.71 1vs6 n GLU 37 Ca 0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.75 1vs6 n GLU 37 Cb 0.41 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.19 1vs6 n GLU 37 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1vs6 s VAL 38 N 0.00 1.46 0.00 3.84 -7.23 -1.26 -4.71 120.40 112.49 1vs6 s VAL 38 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1vs6 s VAL 38 Cb 0.00 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1vs6 s VAL 38 CO 0.00 0.00 1.44 -0.11 -0.31 0.00 0.00 175.10 176.12 1vs6 n LEU 39 N -1.04 3.27 -0.19 1.32 0.00 -1.21 -3.34 117.00 115.82 1vs6 n LEU 39 Ca -0.10 -1.60 0.14 0.00 0.00 0.00 0.00 56.01 54.46 1vs6 n LEU 39 Cb 0.67 -0.72 0.60 0.00 0.00 0.00 0.00 43.42 43.96 1vs6 n LEU 39 CO 0.43 0.66 0.86 0.80 0.00 0.00 0.00 177.39 180.14 1vs6 n MET 40 N 1.87 0.91 -1.54 1.96 1.56 -1.26 -4.76 117.12 115.86 1vs6 n MET 40 Ca 0.05 -0.37 -0.55 0.00 -0.27 0.00 0.00 57.70 56.55 1vs6 n MET 40 Cb 0.35 -1.49 -0.07 0.00 2.15 0.00 0.00 33.22 34.16 1vs6 n MET 40 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 1vs6 n ILE 41 N -0.72 0.15 0.04 1.12 -6.64 -1.21 -4.39 119.36 107.71 1vs6 n ILE 41 Ca 0.16 -0.04 0.00 0.00 -1.77 0.00 0.00 62.75 61.10 1vs6 n ILE 41 Cb 0.28 -0.37 0.00 0.00 -1.44 0.00 0.00 39.64 38.12 1vs6 n ILE 41 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1vs6 n ALA 42 N 1.82 1.97 -0.90 -1.28 0.00 -1.26 -4.05 120.51 116.80 1vs6 n ALA 42 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1vs6 n ALA 42 Cb 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1vs6 n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1vs6 n ASN 43 N 1.43 -3.20 0.00 0.00 5.15 -1.26 0.56 115.26 117.94 1vs6 n ASN 43 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1vs6 n ASN 43 Cb 0.13 -1.99 0.00 0.00 -0.53 0.00 0.00 39.78 37.38 1vs6 n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vs6 n GLY 44 N -1.10 2.80 2.14 8.20 0.00 -1.26 -4.53 105.19 111.44 1vs6 n GLY 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1vs6 n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vs6 n GLU 45 N -0.14 -1.79 -3.91 1.61 1.02 0.19 -1.95 120.64 115.67 1vs6 n GLU 45 Ca 0.00 0.23 -0.31 0.00 -0.02 0.00 0.00 57.16 57.06 1vs6 n GLU 45 Cb 0.00 -3.63 -0.15 0.00 -0.02 0.00 0.00 31.44 27.64 1vs6 n GLU 45 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1vs6 s GLU 46 N -1.14 1.24 0.00 3.49 0.41 -1.26 -4.45 118.70 116.99 1vs6 s GLU 46 Ca 0.00 -1.64 0.00 0.00 -0.41 0.00 0.00 54.97 52.92 1vs6 s GLU 46 Cb 0.00 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.57 1vs6 s GLU 46 CO 0.00 -0.97 0.00 1.55 -0.49 0.00 0.00 175.26 175.35 1vs6 n VAL 47 N 4.39 0.00 0.02 2.63 3.14 -1.26 -4.86 118.33 122.38 1vs6 n VAL 47 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1vs6 n VAL 47 Cb 0.41 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.20 1vs6 n VAL 47 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1vs6 n LYS 48 N -0.97 0.01 -2.21 1.45 2.85 -1.26 -2.23 118.16 115.80 1vs6 n LYS 48 Ca 0.00 0.13 -0.25 0.00 -1.05 0.00 0.00 58.31 57.13 1vs6 n LYS 48 Cb 0.00 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 32.89 1vs6 n LYS 48 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1vs6 n ILE 49 N -1.13 2.48 -1.94 0.58 2.08 -1.26 -4.92 119.36 115.24 1vs6 n ILE 49 Ca 0.00 -4.51 -0.36 0.00 0.56 0.00 0.00 62.75 58.44 1vs6 n ILE 49 Cb 0.00 -1.20 -0.04 0.00 -0.75 0.00 0.00 39.64 37.65 1vs6 n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1vs6 n GLY 50 N -0.61 1.99 3.74 7.39 0.00 -0.95 -4.59 105.19 112.16 1vs6 n GLY 50 Ca 0.42 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1vs6 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vs6 s VAL 51 N 7.56 2.23 0.30 1.61 1.01 -1.26 -4.88 120.40 126.97 1vs6 s VAL 51 Ca 0.61 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.80 1vs6 s VAL 51 Cb 0.05 -3.11 0.40 0.00 0.00 0.00 0.00 36.38 33.71 1vs6 s VAL 51 CO 0.10 0.02 1.49 -2.65 0.00 0.00 0.00 175.10 174.07 1vs6 n PRO 52 N 3.02 -0.07 -4.28 2.72 -0.02 -1.26 -4.49 135.00 130.62 1vs6 n PRO 52 Ca 0.11 1.42 -0.16 0.00 -2.02 0.00 0.00 63.50 62.85 1vs6 n PRO 52 Cb 0.37 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 1vs6 n PRO 52 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vs6 s PHE 53 N -5.90 1.43 0.65 6.00 5.36 -1.26 -4.97 117.98 119.29 1vs6 s PHE 53 Ca -0.12 -0.66 0.30 0.00 -0.96 0.00 0.00 56.93 55.49 1vs6 s PHE 53 Cb 0.28 -0.71 1.64 0.00 -0.34 0.00 0.00 43.02 43.89 1vs6 s PHE 53 CO 0.74 0.18 1.95 0.28 -1.46 0.00 0.00 175.22 176.91 1vs6 h VAL 54 N 2.84 0.10 0.00 3.12 2.07 -1.79 -2.98 116.25 119.62 1vs6 h VAL 54 Ca -0.38 0.00 -0.41 0.00 0.82 0.00 0.00 66.70 66.73 1vs6 h VAL 54 Cb 1.20 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1vs6 h VAL 54 CO 0.61 0.00 1.62 0.47 0.02 0.00 0.00 177.57 180.28 1vs6 n ASP 55 N -3.11 6.79 -3.79 0.57 8.00 -1.26 -4.56 116.55 119.19 1vs6 n ASP 55 Ca 0.00 -2.51 -0.30 0.00 0.71 0.00 0.00 54.79 52.70 1vs6 n ASP 55 Cb 0.42 -1.46 -0.14 0.00 -0.02 0.00 0.00 41.12 39.92 1vs6 n ASP 55 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1vs6 s GLY 56 N 2.12 1.85 0.00 0.44 0.00 -1.12 -5.04 107.32 105.57 1vs6 s GLY 56 Ca 0.67 -2.70 0.00 0.00 0.00 0.00 0.00 44.72 42.69 1vs6 s GLY 56 CO -0.03 1.37 0.00 0.61 0.00 0.00 0.00 173.10 175.05 1vs6 n GLY 57 N 3.57 -1.84 3.96 0.20 0.00 -1.26 -4.96 105.19 104.86 1vs6 n GLY 57 Ca 0.06 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 1vs6 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs6 s VAL 58 N -3.60 2.10 0.00 1.61 0.11 -1.26 -4.84 120.40 114.53 1vs6 s VAL 58 Ca 0.00 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1vs6 s VAL 58 Cb 0.00 -2.75 0.00 0.00 -1.53 0.00 0.00 36.38 32.10 1vs6 s VAL 58 CO 0.00 0.00 0.00 2.30 -3.33 0.00 0.00 175.10 174.07 1vs6 n ILE 59 N -3.18 -0.70 -3.15 7.04 -5.35 -1.26 -5.03 119.36 107.73 1vs6 n ILE 59 Ca 0.14 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.67 1vs6 n ILE 59 Cb 0.60 -1.78 -0.00 0.00 -1.74 0.00 0.00 39.64 36.72 1vs6 n ILE 59 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1vs6 s LYS 60 N 0.00 0.49 0.05 6.28 -0.14 -1.26 -5.07 119.74 120.09 1vs6 s LYS 60 Ca 0.00 0.50 -0.03 0.00 -1.36 0.00 0.00 55.97 55.08 1vs6 s LYS 60 Cb 0.00 0.23 -0.03 0.00 -1.68 0.00 0.00 37.83 36.35 1vs6 s LYS 60 CO 0.00 -0.91 0.02 0.00 -0.76 0.00 0.00 175.35 173.70 1vs6 s ALA 61 N 2.85 0.28 0.10 5.17 0.00 -1.26 -3.35 121.76 125.55 1vs6 s ALA 61 Ca 0.13 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1vs6 s ALA 61 Cb -0.09 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1vs6 s ALA 61 CO -0.25 -0.37 0.23 -1.21 0.00 0.00 0.00 175.76 174.16 1vs6 s GLU 62 N -3.52 3.40 -0.20 0.00 8.01 -1.26 -4.76 118.70 120.37 1vs6 s GLU 62 Ca 0.03 -0.52 -0.15 0.00 0.01 0.00 0.00 54.97 54.34 1vs6 s GLU 62 Cb 0.05 -2.99 -0.04 0.00 -4.31 0.00 0.00 34.13 26.84 1vs6 s GLU 62 CO -0.09 0.57 0.36 0.08 0.01 0.00 0.00 175.26 176.19 1vs6 s VAL 63 N -1.60 5.23 0.38 2.63 1.01 -1.26 0.78 120.40 127.58 1vs6 s VAL 63 Ca 0.34 0.63 -0.26 0.00 0.00 0.00 0.00 61.98 62.70 1vs6 s VAL 63 Cb -0.12 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 1vs6 s VAL 63 CO 0.28 0.29 1.17 0.68 0.00 0.00 0.00 175.10 177.52 1vs6 s VAL 64 N 1.13 3.15 -0.18 2.92 -7.23 -1.05 -2.34 120.40 116.80 1vs6 s VAL 64 Ca 0.18 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.35 1vs6 s VAL 64 Cb -0.14 -3.57 -0.22 0.00 0.56 0.00 0.00 36.38 33.00 1vs6 s VAL 64 CO 0.07 0.12 0.11 0.00 -0.31 0.00 0.00 175.10 175.09 1vs6 n ALA 65 N 0.24 1.21 -2.61 1.32 0.00 -1.26 -4.50 120.51 114.91 1vs6 n ALA 65 Ca 0.03 -0.87 -0.09 0.00 0.00 0.00 0.00 53.44 52.51 1vs6 n ALA 65 Cb 0.46 -0.41 0.04 0.00 0.00 0.00 0.00 19.45 19.54 1vs6 n ALA 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vs6 n HIS 66 N -3.31 -1.27 0.28 0.00 8.25 -1.26 -4.71 115.22 113.20 1vs6 n HIS 66 Ca -0.37 0.49 -0.16 0.00 -0.26 0.00 0.00 57.72 57.42 1vs6 n HIS 66 Cb 1.03 -3.52 -0.08 0.00 1.12 0.00 0.00 29.99 28.53 1vs6 n HIS 66 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1vs6 h GLY 67 N -0.80 -0.73 -5.70 -1.41 0.00 -1.87 -3.39 103.07 89.18 1vs6 h GLY 67 Ca -0.33 0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1vs6 h GLY 67 CO 0.25 -0.26 -0.31 -1.60 0.00 0.00 0.00 176.54 174.62 1vs6 s ARG 68 N -5.47 0.38 -0.69 4.80 6.06 -1.26 -4.92 118.95 117.85 1vs6 s ARG 68 Ca -0.16 1.10 0.05 0.00 -2.50 0.00 0.00 55.73 54.22 1vs6 s ARG 68 Cb 0.03 0.40 0.26 0.00 0.06 0.00 0.00 34.95 35.70 1vs6 s ARG 68 CO 0.58 -0.23 0.86 0.41 -2.50 0.00 0.00 175.30 174.42 1vs6 n GLY 69 N 5.28 4.95 0.00 8.12 0.00 -1.26 0.56 105.19 122.83 1vs6 n GLY 69 Ca -0.11 -2.77 0.00 0.00 0.00 0.00 0.00 46.02 43.15 1vs6 n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vs6 n GLU 70 N 0.80 0.00 -0.71 1.61 4.71 -1.26 -4.67 120.64 121.12 1vs6 n GLU 70 Ca 0.30 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.54 1vs6 n GLU 70 Cb 0.40 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.79 1vs6 n GLU 70 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1vs6 n LYS 71 N 0.00 -1.53 0.00 3.49 4.01 -1.26 -4.28 118.16 118.60 1vs6 n LYS 71 Ca 0.00 1.13 0.00 0.00 -0.51 0.00 0.00 58.31 58.93 1vs6 n LYS 71 Cb 0.00 -1.82 0.00 0.00 -0.51 0.00 0.00 35.03 32.70 1vs6 n LYS 71 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1vs6 n VAL 72 N -3.35 0.00 0.00 -0.18 0.24 -1.26 -3.83 118.33 109.94 1vs6 n VAL 72 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1vs6 n VAL 72 Cb 0.33 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 1vs6 n VAL 72 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1vs6 n LYS 73 N 0.00 0.00 -1.67 7.34 4.81 -1.26 -4.98 118.16 122.41 1vs6 n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vs6 n LYS 73 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vs6 n LYS 73 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1vs6 n ILE 74 N -0.17 -3.28 -3.59 3.15 3.06 -1.26 -5.05 119.36 112.21 1vs6 n ILE 74 Ca 0.00 0.96 -0.09 0.00 -2.50 0.00 0.00 62.75 61.12 1vs6 n ILE 74 Cb 0.00 -1.67 -0.10 0.00 0.54 0.00 0.00 39.64 38.41 1vs6 n ILE 74 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1vs6 s VAL 75 N -0.55 -0.60 0.00 9.51 -7.23 -1.26 -5.10 120.40 115.17 1vs6 s VAL 75 Ca 0.00 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 1vs6 s VAL 75 Cb 0.00 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1vs6 s VAL 75 CO 0.00 0.04 0.68 1.17 -0.31 0.00 0.00 175.10 176.67 1vs6 n LYS 76 N 5.38 0.00 -2.71 4.82 4.81 -1.26 -4.75 118.16 124.45 1vs6 n LYS 76 Ca -0.07 0.45 -0.04 0.00 -0.87 0.00 0.00 58.31 57.78 1vs6 n LYS 76 Cb 0.50 -1.18 -0.03 0.00 0.02 0.00 0.00 35.03 34.34 1vs6 n LYS 76 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1vs6 n PHE 77 N -1.40 -3.75 -3.70 5.64 3.01 -1.26 -4.53 117.46 111.47 1vs6 n PHE 77 Ca 0.00 2.05 -0.12 0.00 1.01 0.00 0.00 57.45 60.40 1vs6 n PHE 77 Cb 0.00 -3.53 -0.12 0.00 -0.01 0.00 0.00 39.48 35.82 1vs6 n PHE 77 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1vs6 s ARG 78 N -0.84 0.28 0.61 -1.08 0.52 -1.26 -4.59 118.95 112.59 1vs6 s ARG 78 Ca -0.18 0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 55.70 1vs6 s ARG 78 Cb 0.01 -0.04 0.05 0.00 0.52 0.00 0.00 34.95 35.49 1vs6 s ARG 78 CO 0.68 -0.18 0.87 1.03 0.02 0.00 0.00 175.30 177.72 1vs6 s ARG 79 N 1.54 2.37 -0.29 3.54 3.00 -1.26 -4.81 118.95 123.03 1vs6 s ARG 79 Ca -0.08 -0.62 -0.16 0.00 0.00 0.00 0.00 55.73 54.87 1vs6 s ARG 79 Cb -0.10 -2.37 0.16 0.00 0.00 0.00 0.00 34.95 32.64 1vs6 s ARG 79 CO -0.10 -0.94 1.02 -0.98 0.00 0.00 0.00 175.30 174.30 1vs6 s ARG 80 N -4.95 0.31 0.00 3.54 1.70 -1.26 -2.15 118.95 116.13 1vs6 s ARG 80 Ca 0.59 0.59 0.00 0.00 -0.47 0.00 0.00 55.73 56.44 1vs6 s ARG 80 Cb -0.10 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.43 1vs6 s ARG 80 CO 0.41 -0.07 0.00 1.63 -1.08 0.00 0.00 175.30 176.18 1vs6 n LYS 81 N 3.96 2.32 0.00 3.89 4.76 -0.86 -4.96 118.16 127.26 1vs6 n LYS 81 Ca -0.16 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.31 1vs6 n LYS 81 Cb 0.56 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.74 1vs6 n LYS 81 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1vs6 n HIS 82 N 0.00 0.00 -0.17 2.13 -0.00 -1.26 -4.58 115.22 111.34 1vs6 n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1vs6 n HIS 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1vs6 n HIS 82 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1vs6 n TYR 83 N -0.66 0.00 -3.86 1.57 4.01 -1.26 -5.09 117.16 111.87 1vs6 n TYR 83 Ca 0.02 -0.12 -0.02 0.00 -0.16 0.00 0.00 57.90 57.62 1vs6 n TYR 83 Cb 0.11 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 1vs6 n TYR 83 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1vs6 n ARG 84 N -0.12 0.52 -3.15 -0.72 -4.01 -1.26 -5.15 116.66 102.77 1vs6 n ARG 84 Ca 0.00 -1.22 0.04 0.00 -1.04 0.00 0.00 57.85 55.63 1vs6 n ARG 84 Cb 0.11 1.68 -0.01 0.00 -3.04 0.00 0.00 32.46 31.20 1vs6 n ARG 84 CO 0.00 0.00 0.00 -1.59 -3.04 0.00 0.00 177.63 173.00 1vs6 s LYS 85 N -2.04 0.57 0.00 2.89 -2.85 -1.26 -2.03 119.74 115.01 1vs6 s LYS 85 Ca 0.21 0.98 0.01 0.00 -1.00 0.00 0.00 55.97 56.16 1vs6 s LYS 85 Cb -0.02 0.53 0.05 0.00 -2.06 0.00 0.00 37.83 36.34 1vs6 s LYS 85 CO 0.04 -0.65 0.67 0.00 0.10 0.00 0.00 175.35 175.51 1vs6 n GLN 86 N 5.43 0.63 -1.51 1.78 10.64 -0.92 -4.76 117.38 128.66 1vs6 n GLN 86 Ca -0.01 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.90 1vs6 n GLN 86 Cb 0.51 -1.02 -0.17 0.00 -0.86 0.00 0.00 30.24 28.70 1vs6 n GLN 86 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1vs6 n GLN 87 N -0.52 0.18 0.00 2.61 7.27 -1.16 -4.45 117.38 121.31 1vs6 n GLN 87 Ca 0.01 -0.15 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1vs6 n GLN 87 Cb 0.00 -1.79 0.00 0.00 2.41 0.00 0.00 30.24 30.87 1vs6 n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1vs6 n GLY 88 N 6.01 1.14 3.58 1.69 0.00 -1.26 -5.07 105.19 111.29 1vs6 n GLY 88 Ca 0.61 0.36 -0.05 0.00 0.00 0.00 0.00 46.02 46.94 1vs6 n GLY 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vs6 s HIS 89 N 0.00 -0.16 -0.30 1.61 5.04 -1.26 -5.07 115.29 115.15 1vs6 s HIS 89 Ca 0.00 0.09 -0.18 0.00 -1.54 0.00 0.00 55.06 53.43 1vs6 s HIS 89 Cb 0.00 0.52 0.20 0.00 0.04 0.00 0.00 32.58 33.34 1vs6 s HIS 89 CO 0.00 -0.26 1.27 0.50 -2.34 0.00 0.00 174.74 173.91 1vs6 s ARG 90 N -2.52 0.04 -0.19 2.88 6.06 -1.26 -4.74 118.95 119.21 1vs6 s ARG 90 Ca 0.09 0.10 -0.04 0.00 -2.50 0.00 0.00 55.73 53.37 1vs6 s ARG 90 Cb -0.01 0.04 0.09 0.00 0.06 0.00 0.00 34.95 35.13 1vs6 s ARG 90 CO -0.05 -0.01 0.20 -1.14 -2.50 0.00 0.00 175.30 171.79 1vs6 s GLN 91 N 1.69 0.16 0.36 5.12 -0.44 -1.26 -5.14 119.66 120.15 1vs6 s GLN 91 Ca -0.03 0.18 0.03 0.00 -2.50 0.00 0.00 55.36 53.05 1vs6 s GLN 91 Cb -0.01 -1.26 -0.04 0.00 -1.64 0.00 0.00 33.01 30.06 1vs6 s GLN 91 CO -0.14 -0.64 0.11 1.67 0.50 0.00 0.00 175.29 176.79 1vs6 s TRP 92 N 2.30 1.78 0.28 1.67 1.48 -1.26 -5.01 118.94 120.17 1vs6 s TRP 92 Ca 0.06 -1.20 0.04 0.00 -1.06 0.00 0.00 56.10 53.94 1vs6 s TRP 92 Cb -0.16 -1.13 -0.06 0.00 -1.16 0.00 0.00 33.47 30.97 1vs6 s TRP 92 CO -0.11 -0.25 0.01 -0.59 -4.06 0.00 0.00 176.95 171.95 1vs6 s PHE 93 N -3.34 1.78 -0.16 1.66 -0.12 -1.26 -5.09 117.98 111.46 1vs6 s PHE 93 Ca 0.30 -0.91 -0.06 0.00 -0.05 0.00 0.00 56.93 56.21 1vs6 s PHE 93 Cb 0.05 -1.08 -0.24 0.00 -0.63 0.00 0.00 43.02 41.12 1vs6 s PHE 93 CO 0.15 0.02 0.23 0.25 -0.05 0.00 0.00 175.22 175.83 1vs6 n THR 94 N -0.55 1.71 -1.96 -4.49 -2.24 -1.25 -4.36 114.28 101.14 1vs6 n THR 94 Ca -0.04 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1vs6 n THR 94 Cb 0.65 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1vs6 n THR 94 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1vs6 n ASP 95 N -3.53 -7.63 -4.80 3.42 8.00 -1.26 -4.40 116.55 106.34 1vs6 n ASP 95 Ca -0.35 1.34 -0.34 0.00 0.71 0.00 0.00 54.79 56.16 1vs6 n ASP 95 Cb 1.01 -4.15 -0.04 0.00 -0.02 0.00 0.00 41.12 37.92 1vs6 n ASP 95 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1vs6 s VAL 96 N -0.44 3.92 0.00 2.53 -7.23 0.38 -4.14 120.40 115.42 1vs6 s VAL 96 Ca 0.00 1.16 0.00 0.00 -1.81 0.00 0.00 61.98 61.33 1vs6 s VAL 96 Cb 0.00 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.46 1vs6 s VAL 96 CO 0.00 -0.30 0.02 1.17 -0.31 0.00 0.00 175.10 175.68 1vs6 n LYS 97 N -1.04 0.00 -0.43 4.82 3.00 0.19 0.81 118.16 125.52 1vs6 n LYS 97 Ca 0.09 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1vs6 n LYS 97 Cb 0.53 -0.58 0.00 0.00 0.00 0.00 0.00 35.03 34.98 1vs6 n LYS 97 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1vs6 n ILE 98 N -0.68 -2.17 -0.02 3.15 2.08 -1.26 -3.68 119.36 116.77 1vs6 n ILE 98 Ca 0.00 0.65 -0.02 0.00 0.56 0.00 0.00 62.75 63.94 1vs6 n ILE 98 Cb 0.00 -0.90 -0.03 0.00 -0.75 0.00 0.00 39.64 37.96 1vs6 n ILE 98 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1vs6 n THR 99 N -0.97 0.29 -2.01 1.39 -2.24 -1.26 -2.88 114.28 106.60 1vs6 n THR 99 Ca 0.00 -0.17 -0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1vs6 n THR 99 Cb 0.00 -0.88 -0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1vs6 n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vs6 n GLY 100 N 2.77 -5.01 0.00 3.38 0.00 -1.25 -3.36 105.19 101.72 1vs6 n GLY 100 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1vs6 n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vs6 n ILE 101 N 1.33 0.00 -3.71 -0.61 2.08 -0.99 -4.83 119.36 112.63 1vs6 n ILE 101 Ca -0.03 0.50 -0.13 0.00 0.56 0.00 0.00 62.75 63.65 1vs6 n ILE 101 Cb 0.05 -1.24 -0.07 0.00 -0.75 0.00 0.00 39.64 37.62 1vs6 n ILE 101 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1vs6 s SER 102 N -2.51 -0.23 0.00 4.38 0.01 -1.26 -4.93 113.70 109.15 1vs6 s SER 102 Ca 0.00 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.26 1vs6 s SER 102 Cb 0.00 0.38 0.08 0.00 0.21 0.00 0.00 66.02 66.69 1vs6 s SER 102 CO 0.00 -0.60 0.57 0.00 0.41 0.00 0.00 173.24 173.63