#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8p s VAL 3 N 0.00 3.15 -0.07 0.00 1.01 -1.22 -4.26 120.40 119.01 1v8p s VAL 3 Ca 0.00 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1v8p s VAL 3 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1v8p s VAL 3 CO 0.00 0.13 -0.04 -0.62 0.00 0.00 0.00 175.10 174.57 1v8p n GLU 4 N 2.80 0.95 -4.56 2.72 1.02 0.51 -5.00 120.64 119.07 1v8p n GLU 4 Ca 0.07 0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 56.96 1v8p n GLU 4 Cb 0.42 -1.14 -0.14 0.00 -0.02 0.00 0.00 31.44 30.56 1v8p n GLU 4 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1v8p s TYR 5 N -2.14 2.18 -0.24 -0.32 1.51 -0.13 -1.71 117.35 116.49 1v8p s TYR 5 Ca -0.08 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 1v8p s TYR 5 Cb 0.02 -1.23 -0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1v8p s TYR 5 CO 0.18 0.22 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.67 1v8p s LEU 6 N -1.68 3.20 -0.20 -1.29 2.96 -0.63 -0.99 118.68 120.05 1v8p s LEU 6 Ca 0.11 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 1v8p s LEU 6 Cb -0.10 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1v8p s LEU 6 CO 0.04 -0.08 0.19 -0.69 -1.32 0.00 0.00 176.35 174.49 1v8p s VAL 7 N 1.47 5.37 0.60 1.68 1.01 0.14 -0.29 120.40 130.38 1v8p s VAL 7 Ca 0.04 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1v8p s VAL 7 Cb -0.15 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.82 1v8p s VAL 7 CO -0.02 0.40 0.82 -0.90 0.00 0.00 0.00 175.10 175.40 1v8p n ASP 8 N 3.70 0.96 -0.18 3.32 5.75 -0.87 -4.51 116.55 124.72 1v8p n ASP 8 Ca -0.14 -1.84 -0.09 0.00 -0.01 0.00 0.00 54.79 52.71 1v8p n ASP 8 Cb 0.52 -0.54 0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1v8p n ASP 8 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1v8p h ALA 9 N -0.72 0.67 -0.62 2.12 0.00 -1.90 -0.26 119.26 118.55 1v8p h ALA 9 Ca -0.27 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1v8p h ALA 9 Cb 0.96 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1v8p h ALA 9 CO 0.28 0.34 0.08 0.66 0.00 0.00 0.00 179.25 180.60 1v8p h SER 10 N 0.70 0.99 -0.07 0.00 4.64 -1.95 -0.77 113.55 117.08 1v8p h SER 10 Ca 0.16 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1v8p h SER 10 Cb 0.29 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1v8p h SER 10 CO -0.00 1.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.94 1v8p h ALA 11 N 1.11 0.10 -0.74 5.18 0.00 -1.78 -2.75 119.26 120.39 1v8p h ALA 11 Ca 0.19 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1v8p h ALA 11 Cb 0.45 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1v8p h ALA 11 CO 0.01 -0.19 0.39 1.25 0.00 0.00 0.00 179.25 180.72 1v8p h LEU 12 N -0.20 0.53 -0.59 0.00 7.12 -0.96 0.88 115.31 122.10 1v8p h LEU 12 Ca 0.02 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.09 1v8p h LEU 12 Cb 0.41 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 1v8p h LEU 12 CO 0.01 0.31 0.39 0.22 -0.13 0.00 0.00 178.44 179.23 1v8p h TYR 13 N 0.66 0.74 -0.31 1.25 3.20 -1.09 -2.21 116.97 119.22 1v8p h TYR 13 Ca 0.36 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.13 1v8p h TYR 13 Cb 0.34 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1v8p h TYR 13 CO -0.09 0.47 -0.25 0.00 -1.64 0.00 0.00 178.16 176.65 1v8p h ALA 14 N 1.21 0.45 0.00 1.82 0.00 -1.04 -2.94 119.26 118.75 1v8p h ALA 14 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1v8p h ALA 14 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1v8p h ALA 14 CO -0.05 0.44 0.00 -0.07 0.00 0.00 0.00 179.25 179.57 1v8p h LEU 15 N 0.48 0.00 -0.52 0.00 3.38 -0.58 -2.44 115.31 115.62 1v8p h LEU 15 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1v8p h LEU 15 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1v8p h LEU 15 CO 0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1v8p n ALA 16 N -1.92 1.32 0.02 1.53 0.00 -0.85 -1.51 120.51 119.09 1v8p n ALA 16 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1v8p n ALA 16 Cb 0.11 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 1v8p n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v8p n ALA 17 N -1.63 2.44 -1.98 0.00 0.00 -0.92 -4.36 120.51 114.05 1v8p n ALA 17 Ca 0.01 -0.54 -0.31 0.00 0.00 0.00 0.00 53.44 52.60 1v8p n ALA 17 Cb 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 18.77 1v8p n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1v8p n HIS 18 N -2.53 3.10 -0.10 0.00 8.25 -0.57 -4.84 115.22 118.53 1v8p n HIS 18 Ca -0.07 -2.68 -0.08 0.00 -0.26 0.00 0.00 57.72 54.62 1v8p n HIS 18 Cb 0.68 -0.72 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 1v8p n HIS 18 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1v8p h TYR 19 N 2.45 -0.96 -0.59 4.41 3.20 -1.75 -2.70 116.97 121.04 1v8p h TYR 19 Ca 0.45 0.06 0.12 0.00 3.14 0.00 0.00 58.73 62.50 1v8p h TYR 19 Cb 0.84 0.47 -0.11 0.00 1.54 0.00 0.00 36.73 39.47 1v8p h TYR 19 CO 1.05 -0.40 -0.12 -0.44 -1.64 0.00 0.00 178.16 176.62 1v8p h ASP 20 N -0.29 -0.49 -0.43 -2.11 3.32 -1.92 -1.91 116.42 112.58 1v8p h ASP 20 Ca 0.15 0.17 0.12 0.00 0.02 0.00 0.00 57.03 57.50 1v8p h ASP 20 Cb 0.55 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1v8p h ASP 20 CO -0.51 -0.18 0.36 0.11 -1.72 0.00 0.00 179.24 177.30 1v8p h LYS 21 N 0.02 0.00 0.00 3.56 1.57 -1.89 -3.33 116.57 116.51 1v8p h LYS 21 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1v8p h LYS 21 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1v8p h LYS 21 CO -0.59 0.00 0.00 -2.67 -0.57 0.00 0.00 179.45 175.62 1v8p n TRP 22 N -4.12 0.00 0.09 -1.35 4.27 -0.75 -4.73 117.44 110.84 1v8p n TRP 22 Ca 0.07 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.81 1v8p n TRP 22 Cb 0.55 0.00 0.62 0.00 -1.36 0.00 0.00 31.31 31.12 1v8p n TRP 22 CO 0.00 0.00 0.00 -0.84 -2.29 0.00 0.00 177.69 174.56 1v8p h ILE 23 N 0.01 0.89 -0.74 -1.67 -0.00 -1.58 -0.82 117.51 113.60 1v8p h ILE 23 Ca 0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 64.86 64.86 1v8p h ILE 23 Cb 0.01 0.77 -0.04 0.00 -0.00 0.00 0.00 36.82 37.56 1v8p h ILE 23 CO 0.00 0.02 0.49 0.50 -0.00 0.00 0.00 178.15 179.16 1v8p h LYS 24 N 0.11 0.88 -0.65 0.16 3.64 -1.85 -2.59 116.57 116.27 1v8p h LYS 24 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1v8p h LYS 24 Cb 0.47 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1v8p h LYS 24 CO -0.02 0.58 0.00 0.72 -2.27 0.00 0.00 179.45 178.47 1v8p n HIS 25 N -4.45 1.20 0.07 1.91 8.25 -0.34 -4.68 115.22 117.19 1v8p n HIS 25 Ca 0.09 -0.57 0.20 0.00 -0.26 0.00 0.00 57.72 57.19 1v8p n HIS 25 Cb 0.11 -0.14 0.66 0.00 1.12 0.00 0.00 29.99 31.74 1v8p n HIS 25 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1v8p h ARG 26 N 3.94 0.00 0.00 -0.41 0.11 -1.13 0.26 114.38 117.15 1v8p h ARG 26 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1v8p h ARG 26 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1v8p h ARG 26 CO 0.13 0.00 0.00 -0.85 0.10 0.00 0.00 179.97 179.35 1v8p n GLU 27 N -3.43 0.15 0.00 0.08 0.00 -1.26 -2.32 120.64 113.86 1v8p n GLU 27 Ca 0.09 0.29 0.11 0.00 0.00 0.00 0.00 57.16 57.65 1v8p n GLU 27 Cb 0.80 -1.74 0.07 0.00 0.00 0.00 0.00 31.44 30.57 1v8p n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1v8p n LYS 28 N -2.01 0.01 -4.14 3.44 5.02 0.91 -3.43 118.16 117.95 1v8p n LYS 28 Ca 0.04 -0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 1v8p n LYS 28 Cb 0.28 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.70 1v8p n LYS 28 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1v8p s LEU 29 N -3.02 3.82 0.08 -0.35 2.01 -0.98 -0.36 118.68 119.88 1v8p s LEU 29 Ca 0.09 0.18 0.02 0.00 0.01 0.00 0.00 54.13 54.44 1v8p s LEU 29 Cb 0.17 -1.92 -0.03 0.00 0.01 0.00 0.00 46.19 44.41 1v8p s LEU 29 CO 0.78 0.31 -0.08 0.00 1.01 0.00 0.00 176.35 178.37 1v8p s ALA 30 N -0.44 0.84 0.24 4.21 0.00 -0.16 -2.66 121.76 123.78 1v8p s ALA 30 Ca 0.09 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1v8p s ALA 30 Cb -0.12 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1v8p s ALA 30 CO 0.02 -0.12 0.13 0.44 0.00 0.00 0.00 175.76 176.22 1v8p n ILE 31 N 0.63 0.00 -4.30 0.00 -5.35 -0.38 0.28 119.36 110.24 1v8p n ILE 31 Ca -0.17 -1.51 -0.25 0.00 -0.27 0.00 0.00 62.75 60.55 1v8p n ILE 31 Cb 0.58 0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 39.02 1v8p n ILE 31 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1v8p s LEU 32 N 0.00 3.03 0.46 7.28 1.43 -1.26 -1.55 118.68 128.06 1v8p s LEU 32 Ca 0.18 -1.12 0.17 0.00 -1.03 0.00 0.00 54.13 52.33 1v8p s LEU 32 Cb 0.01 -1.29 1.09 0.00 0.03 0.00 0.00 46.19 46.02 1v8p s LEU 32 CO 0.13 -0.43 2.00 0.45 0.23 0.00 0.00 176.35 178.73 1v8p h HIS 33 N 1.61 0.00 -0.67 0.29 3.86 -1.95 -2.11 115.15 116.18 1v8p h HIS 33 Ca -0.43 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.79 1v8p h HIS 33 Cb 1.25 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.69 1v8p h HIS 33 CO 0.67 0.18 0.45 1.25 0.86 0.00 0.00 177.93 181.34 1v8p h LEU 34 N 0.00 0.77 -1.73 2.43 6.46 -1.95 -2.77 115.31 118.52 1v8p h LEU 34 Ca -0.00 -0.02 0.28 0.00 -0.12 0.00 0.00 57.88 58.02 1v8p h LEU 34 Cb 0.33 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 40.01 1v8p h LEU 34 CO 0.02 0.56 0.71 0.74 -0.62 0.00 0.00 178.44 179.85 1v8p h THR 35 N 0.91 0.52 0.09 1.05 2.02 -1.76 -1.43 112.91 114.32 1v8p h THR 35 Ca 0.25 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 1v8p h THR 35 Cb -0.10 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1v8p h THR 35 CO -0.05 0.03 -0.05 0.40 0.37 0.00 0.00 175.52 176.22 1v8p h ILE 36 N 0.18 1.03 -0.37 3.11 2.04 -1.60 -1.84 117.51 120.06 1v8p h ILE 36 Ca 0.53 -0.46 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 1v8p h ILE 36 Cb 1.73 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1v8p h ILE 36 CO -0.12 0.11 -0.23 1.88 0.00 0.00 0.00 178.15 179.79 1v8p h TYR 37 N -0.34 0.84 -0.61 1.37 -1.99 -1.43 -0.55 116.97 114.26 1v8p h TYR 37 Ca -0.01 -0.19 -0.08 0.00 2.00 0.00 0.00 58.73 60.45 1v8p h TYR 37 Cb 0.28 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 1v8p h TYR 37 CO -0.00 0.90 0.06 0.93 -0.00 0.00 0.00 178.16 180.04 1v8p h GLU 38 N 0.65 1.03 -0.29 4.88 5.08 -1.35 0.33 114.58 124.90 1v8p h GLU 38 Ca 0.09 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1v8p h GLU 38 Cb 0.73 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1v8p h GLU 38 CO 0.06 0.97 -0.09 0.00 -1.00 0.00 0.00 179.01 178.95 1v8p h ALA 39 N 1.09 0.40 -0.65 3.43 0.00 -1.14 -2.49 119.26 119.91 1v8p h ALA 39 Ca 0.18 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1v8p h ALA 39 Cb 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1v8p h ALA 39 CO 0.02 0.24 0.40 0.78 0.00 0.00 0.00 179.25 180.69 1v8p h GLY 40 N 0.33 0.93 1.64 0.00 0.00 -0.62 -1.75 103.07 103.61 1v8p h GLY 40 Ca 0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1v8p h GLY 40 CO 0.03 0.25 -0.19 -0.57 0.00 0.00 0.00 176.54 176.06 1v8p h ASN 41 N 0.78 0.42 -0.57 0.19 -0.73 -0.28 -0.98 115.58 114.41 1v8p h ASN 41 Ca 0.26 -0.12 -0.11 0.00 1.87 0.00 0.00 56.30 58.20 1v8p h ASN 41 Cb 0.03 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 1v8p h ASN 41 CO -0.11 0.63 -0.08 0.00 -0.37 0.00 0.00 177.43 177.50 1v8p h ALA 42 N 1.41 0.78 -0.12 1.57 0.00 -0.97 -1.64 119.26 120.30 1v8p h ALA 42 Ca 0.07 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1v8p h ALA 42 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1v8p h ALA 42 CO 0.04 0.68 -0.60 1.25 0.00 0.00 0.00 179.25 180.61 1v8p h LEU 43 N 0.94 0.46 -1.17 0.00 6.46 -1.02 -2.90 115.31 118.08 1v8p h LEU 43 Ca 0.15 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1v8p h LEU 43 Cb 0.65 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1v8p h LEU 43 CO 0.04 0.95 0.40 -0.25 -0.62 0.00 0.00 178.44 178.97 1v8p h TRP 44 N 0.30 0.95 -0.15 1.25 7.01 -0.90 -1.71 115.95 122.70 1v8p h TRP 44 Ca -0.01 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 1v8p h TRP 44 Cb 1.14 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 1v8p h TRP 44 CO 0.04 0.65 -0.19 0.87 -2.79 0.00 0.00 178.44 177.02 1v8p h LYS 45 N 0.98 0.24 -0.01 2.65 1.57 -1.10 -0.16 116.57 120.75 1v8p h LYS 45 Ca 0.25 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 58.72 1v8p h LYS 45 Cb 0.00 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.30 1v8p h LYS 45 CO -0.04 0.43 -0.99 0.93 -0.57 0.00 0.00 179.45 179.21 1v8p h GLU 46 N 0.23 0.62 -0.65 3.15 5.08 -1.34 -2.20 114.58 119.47 1v8p h GLU 46 Ca 0.04 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1v8p h GLU 46 Cb 0.47 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1v8p h GLU 46 CO 0.03 1.25 0.41 0.00 -1.00 0.00 0.00 179.01 179.70 1v8p h ALA 47 N 0.53 0.83 0.00 3.43 0.00 -0.91 0.22 119.26 123.36 1v8p h ALA 47 Ca -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1v8p h ALA 47 Cb 1.63 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1v8p h ALA 47 CO 0.19 0.28 -0.11 0.00 0.00 0.00 0.00 179.25 179.60 1v8p h ARG 48 N 0.88 0.00 -0.67 0.00 2.47 -0.96 -2.64 114.38 113.46 1v8p h ARG 48 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1v8p h ARG 48 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1v8p h ARG 48 CO -0.05 0.11 0.00 1.28 0.56 0.00 0.00 179.97 181.88 1v8p n LEU 49 N -4.21 4.30 0.00 3.04 4.77 -0.45 -4.94 117.00 119.51 1v8p n LEU 49 Ca -0.03 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 1v8p n LEU 49 Cb 0.19 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1v8p n LEU 49 CO 0.34 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 1v8p n GLY 50 N 1.26 0.74 3.66 -0.72 0.00 -0.80 -5.03 105.19 104.30 1v8p n GLY 50 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1v8p n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1v8p s ARG 51 N -0.53 4.15 0.09 1.61 3.52 -0.06 -4.89 118.95 122.84 1v8p s ARG 51 Ca 0.00 2.18 -0.14 0.00 -0.13 0.00 0.00 55.73 57.64 1v8p s ARG 51 Cb 0.00 -4.00 -0.15 0.00 -1.56 0.00 0.00 34.95 29.24 1v8p s ARG 51 CO 0.00 -0.88 1.31 0.28 -0.81 0.00 0.00 175.30 175.19 1v8p h VAL 52 N 5.62 1.30 -0.43 7.11 2.07 -1.92 -3.34 116.25 126.66 1v8p h VAL 52 Ca -0.39 -1.85 -0.26 0.00 0.82 0.00 0.00 66.70 65.02 1v8p h VAL 52 Cb 1.18 1.96 -0.13 0.00 -1.52 0.00 0.00 31.29 32.78 1v8p h VAL 52 CO 0.96 0.58 0.33 -0.90 0.02 0.00 0.00 177.57 178.56 1v8p n ASP 53 N -4.06 4.78 -0.02 0.57 3.85 -1.26 -4.55 116.55 115.86 1v8p n ASP 53 Ca -0.07 -2.84 -0.03 0.00 -0.71 0.00 0.00 54.79 51.14 1v8p n ASP 53 Cb 0.67 -0.85 0.21 0.00 -1.35 0.00 0.00 41.12 39.80 1v8p n ASP 53 CO 0.00 0.00 0.00 4.11 -1.01 0.00 0.00 177.20 180.30 1v8p h TRP 54 N 0.91 0.62 -0.01 2.11 5.08 -1.98 0.21 115.95 122.89 1v8p h TRP 54 Ca 0.27 -0.11 0.00 0.00 1.08 0.00 0.00 58.89 60.13 1v8p h TRP 54 Cb 1.38 -0.16 -0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1v8p h TRP 54 CO 0.72 0.69 0.00 0.00 -1.28 0.00 0.00 178.44 178.57 1v8p h ALA 55 N 1.33 0.01 -0.09 0.11 0.00 -1.92 0.34 119.26 119.03 1v8p h ALA 55 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1v8p h ALA 55 Cb 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1v8p h ALA 55 CO 0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 179.25 178.78 1v8p h ALA 56 N 0.99 0.13 -0.03 0.00 0.00 -1.88 -2.62 119.26 115.85 1v8p h ALA 56 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1v8p h ALA 56 Cb 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1v8p h ALA 56 CO -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.13 1v8p h ALA 57 N 0.70 1.51 -0.15 0.00 0.00 -0.42 -0.65 119.26 120.24 1v8p h ALA 57 Ca 0.02 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1v8p h ALA 57 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1v8p h ALA 57 CO 0.01 -0.05 -0.71 0.66 0.00 0.00 0.00 179.25 179.16 1v8p h SER 58 N 0.00 0.77 -0.53 0.00 4.64 0.06 -2.16 113.55 116.34 1v8p h SER 58 Ca 0.01 -0.48 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1v8p h SER 58 Cb 0.08 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1v8p h SER 58 CO -0.00 1.26 -0.08 0.03 -0.87 0.00 0.00 176.83 177.16 1v8p h ARG 59 N 0.46 1.01 -0.38 4.77 3.08 -0.92 0.13 114.38 122.53 1v8p h ARG 59 Ca -0.03 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 1v8p h ARG 59 Cb 1.31 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1v8p h ARG 59 CO 0.14 1.04 0.18 1.25 -1.07 0.00 0.00 179.97 181.50 1v8p h HIS 60 N 0.90 0.55 -0.79 3.04 2.76 -1.41 -0.88 115.15 119.32 1v8p h HIS 60 Ca 0.15 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1v8p h HIS 60 Cb 0.64 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 1v8p h HIS 60 CO 0.04 0.46 0.52 1.25 -1.30 0.00 0.00 177.93 178.91 1v8p h LEU 61 N 0.47 0.90 -0.08 0.26 6.46 -1.08 0.14 115.31 122.38 1v8p h LEU 61 Ca 0.13 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1v8p h LEU 61 Cb 0.12 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 1v8p h LEU 61 CO -0.02 0.65 -0.05 0.50 -0.62 0.00 0.00 178.44 178.91 1v8p h LYS 62 N 1.07 -0.05 -0.11 1.25 3.64 -0.54 0.78 116.57 122.60 1v8p h LYS 62 Ca 0.29 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1v8p h LYS 62 Cb -0.12 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1v8p h LYS 62 CO -0.06 -0.04 0.03 -0.22 -2.27 0.00 0.00 179.45 176.89 1v8p h LYS 63 N -0.06 0.07 -0.02 1.90 3.64 -0.69 -1.28 116.57 120.13 1v8p h LYS 63 Ca 0.05 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1v8p h LYS 63 Cb 0.13 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1v8p h LYS 63 CO -0.11 0.05 -0.25 0.28 -2.27 0.00 0.00 179.45 177.15 1v8p h VAL 64 N 0.08 0.42 -0.80 2.00 2.07 -0.27 -2.31 116.25 117.44 1v8p h VAL 64 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1v8p h VAL 64 Cb 0.03 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1v8p h VAL 64 CO -0.06 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 177.99 1v8p h LEU 65 N -0.38 0.76 -2.31 2.57 3.38 -0.66 -2.17 115.31 116.49 1v8p h LEU 65 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1v8p h LEU 65 Cb 0.47 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1v8p h LEU 65 CO -0.24 0.49 0.00 0.77 0.09 0.00 0.00 178.44 179.55 1v8p h SER 66 N 0.86 0.00 1.10 -0.43 4.64 -0.65 -2.51 113.55 116.56 1v8p h SER 66 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1v8p h SER 66 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1v8p h SER 66 CO -0.12 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.64 1v8p n SER 67 N -2.96 0.74 -4.91 4.97 7.64 -0.82 -4.84 113.62 113.45 1v8p n SER 67 Ca -0.02 0.62 -0.30 0.00 1.01 0.00 0.00 58.87 60.18 1v8p n SER 67 Cb 0.14 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 1v8p n SER 67 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1v8p s PHE 68 N -3.21 3.48 0.06 1.43 0.40 -0.95 -4.82 117.98 114.37 1v8p s PHE 68 Ca 0.07 0.46 -0.25 0.00 -0.60 0.00 0.00 56.93 56.62 1v8p s PHE 68 Cb 0.11 -1.94 -0.06 0.00 0.51 0.00 0.00 43.02 41.64 1v8p s PHE 68 CO 0.49 0.43 0.77 0.15 0.70 0.00 0.00 175.22 177.77 1v8p s LYS 69 N -2.85 4.51 -0.19 0.44 1.02 -1.09 -4.87 119.74 116.72 1v8p s LYS 69 Ca 0.40 1.09 -0.09 0.00 0.02 0.00 0.00 55.97 57.38 1v8p s LYS 69 Cb -0.12 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 1v8p s LYS 69 CO 0.26 0.33 0.12 0.08 -0.92 0.00 0.00 175.35 175.22 1v8p s VAL 70 N -0.22 5.28 0.42 3.17 1.01 -1.26 -1.25 120.40 127.55 1v8p s VAL 70 Ca 0.38 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 1v8p s VAL 70 Cb -0.21 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1v8p s VAL 70 CO 0.24 0.47 0.67 -0.76 0.00 0.00 0.00 175.10 175.72 1v8p s LEU 71 N 0.19 3.79 0.56 3.92 1.43 -0.60 -4.96 118.68 123.01 1v8p s LEU 71 Ca 0.08 0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 53.62 1v8p s LEU 71 Cb -0.11 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1v8p s LEU 71 CO -0.01 -0.48 1.26 -1.61 0.23 0.00 0.00 176.35 175.73 1v8p s GLU 72 N -4.55 3.15 0.39 1.70 2.02 -1.26 -4.40 118.70 115.75 1v8p s GLU 72 Ca 0.44 1.97 -0.27 0.00 0.02 0.00 0.00 54.97 57.13 1v8p s GLU 72 Cb -0.10 -2.12 -0.09 0.00 0.10 0.00 0.00 34.13 31.91 1v8p s GLU 72 CO 0.40 -1.10 1.34 -0.51 0.02 0.00 0.00 175.26 175.41 1v8p s ASP 73 N -1.32 6.40 0.87 -0.19 -0.00 -1.26 -4.99 116.67 116.17 1v8p s ASP 73 Ca 0.73 2.74 -0.12 0.00 -0.00 0.00 0.00 52.55 55.90 1v8p s ASP 73 Cb -0.34 -2.65 0.11 0.00 -0.00 0.00 0.00 42.92 40.05 1v8p s ASP 73 CO 0.39 -0.80 1.11 -2.84 -0.00 0.00 0.00 175.17 173.04 1v8p s PRO 74 N -2.12 1.50 -0.15 8.23 0.02 -1.26 -4.97 135.00 136.25 1v8p s PRO 74 Ca 0.55 0.48 -0.29 0.00 0.02 0.00 0.00 61.00 61.76 1v8p s PRO 74 Cb -0.40 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.25 1v8p s PRO 74 CO 0.52 -1.99 1.12 -2.14 -0.33 0.00 0.00 177.00 174.19 1v8p s PRO 75 N -5.19 4.31 0.52 5.54 0.02 -1.26 -4.84 135.00 134.10 1v8p s PRO 75 Ca 0.63 1.51 0.33 0.00 0.02 0.00 0.00 61.00 63.49 1v8p s PRO 75 Cb -0.15 -3.63 1.48 0.00 0.02 0.00 0.00 34.50 32.21 1v8p s PRO 75 CO 0.54 -0.55 1.80 1.25 -0.33 0.00 0.00 177.00 179.71 1v8p h LEU 76 N 8.96 0.08 -0.00 -5.54 6.46 -2.00 -1.50 115.31 121.77 1v8p h LEU 76 Ca -0.26 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1v8p h LEU 76 Cb 1.11 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.04 1v8p h LEU 76 CO 0.93 0.01 -0.04 -0.78 -0.62 0.00 0.00 178.44 177.94 1v8p h ASP 77 N 0.07 -0.13 -0.26 1.25 -0.00 -2.01 -2.16 116.42 113.18 1v8p h ASP 77 Ca 0.57 0.01 0.03 0.00 -0.00 0.00 0.00 57.03 57.64 1v8p h ASP 77 Cb 2.14 0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 41.49 1v8p h ASP 77 CO -0.06 -0.04 0.08 -0.33 -0.00 0.00 0.00 179.24 178.89 1v8p h GLU 78 N -0.05 0.19 -0.37 0.28 4.39 -1.68 -3.13 114.58 114.21 1v8p h GLU 78 Ca 0.00 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1v8p h GLU 78 Cb 0.05 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 1v8p h GLU 78 CO -0.03 0.13 0.04 0.28 -1.16 0.00 0.00 179.01 178.27 1v8p h VAL 79 N 0.20 0.77 -0.90 3.13 2.07 -1.48 -2.13 116.25 117.90 1v8p h VAL 79 Ca 0.11 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1v8p h VAL 79 Cb 0.09 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 1v8p h VAL 79 CO -0.12 0.03 0.55 0.25 0.02 0.00 0.00 177.57 178.30 1v8p h LEU 80 N 0.15 0.84 -0.15 2.57 6.46 -1.34 -0.18 115.31 123.66 1v8p h LEU 80 Ca 0.18 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1v8p h LEU 80 Cb 0.23 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1v8p h LEU 80 CO -0.27 0.51 0.08 -0.09 -0.62 0.00 0.00 178.44 178.05 1v8p h ARG 81 N 0.96 0.21 -0.94 1.25 2.43 -1.39 0.04 114.38 116.94 1v8p h ARG 81 Ca 0.42 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.60 1v8p h ARG 81 Cb 0.29 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1v8p h ARG 81 CO -0.21 0.23 0.61 0.28 -1.51 0.00 0.00 179.97 179.37 1v8p h VAL 82 N 0.13 1.14 -0.46 0.20 2.07 -0.79 -0.28 116.25 118.27 1v8p h VAL 82 Ca 0.05 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1v8p h VAL 82 Cb 0.09 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 1v8p h VAL 82 CO -0.01 0.21 -0.20 0.00 0.02 0.00 0.00 177.57 177.60 1v8p h ALA 83 N 1.39 0.78 -0.26 1.67 0.00 -0.60 -0.65 119.26 121.58 1v8p h ALA 83 Ca 0.38 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1v8p h ALA 83 Cb 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1v8p h ALA 83 CO -0.13 0.66 -0.30 0.28 0.00 0.00 0.00 179.25 179.76 1v8p h VAL 84 N 0.79 1.31 -0.15 0.00 2.07 -0.47 -1.91 116.25 117.90 1v8p h VAL 84 Ca 0.11 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 1v8p h VAL 84 Cb 0.75 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1v8p h VAL 84 CO 0.06 0.47 -0.21 -0.33 0.02 0.00 0.00 177.57 177.58 1v8p h GLU 85 N 0.40 0.40 -0.37 1.57 5.08 -1.01 -3.29 114.58 117.35 1v8p h GLU 85 Ca 0.04 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1v8p h GLU 85 Cb 0.87 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1v8p h GLU 85 CO 0.07 0.82 0.00 0.54 -1.00 0.00 0.00 179.01 179.44 1v8p n ARG 86 N -4.48 2.04 -3.50 2.33 1.74 -0.26 -4.94 116.66 109.59 1v8p n ARG 86 Ca -0.06 -1.60 -0.23 0.00 -0.77 0.00 0.00 57.85 55.19 1v8p n ARG 86 Cb 0.41 -1.39 0.07 0.00 -1.02 0.00 0.00 32.46 30.53 1v8p n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8p n GLY 87 N 1.25 -0.48 3.85 -0.13 0.00 -0.82 -5.01 105.19 103.84 1v8p n GLY 87 Ca 0.16 0.21 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 1v8p n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8p s LEU 88 N -6.98 3.08 0.39 0.99 1.43 -0.78 -5.06 118.68 111.74 1v8p s LEU 88 Ca 0.54 -1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1v8p s LEU 88 Cb -0.24 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1v8p s LEU 88 CO 0.67 -0.78 0.67 0.42 0.23 0.00 0.00 176.35 177.56 1v8p s THR 89 N -2.61 4.96 0.35 5.49 -4.23 -1.26 -4.64 115.64 113.70 1v8p s THR 89 Ca 0.41 0.11 0.08 0.00 -1.18 0.00 0.00 61.69 61.11 1v8p s THR 89 Cb -0.01 -3.80 0.32 0.00 1.34 0.00 0.00 72.50 70.34 1v8p s THR 89 CO 0.24 -0.58 1.88 0.15 -0.54 0.00 0.00 174.62 175.77 1v8p h PHE 90 N 0.93 0.82 0.50 3.99 3.57 -1.93 0.21 116.94 125.02 1v8p h PHE 90 Ca -0.48 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1v8p h PHE 90 Cb 1.20 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1v8p h PHE 90 CO 0.57 0.33 -0.24 1.88 -2.23 0.00 0.00 178.31 178.62 1v8p h TYR 91 N 0.72 -0.62 -0.65 0.41 0.05 -1.98 -2.27 116.97 112.62 1v8p h TYR 91 Ca 0.43 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.17 1v8p h TYR 91 Cb 0.63 0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.55 1v8p h TYR 91 CO -0.00 -0.32 0.33 -0.44 -1.05 0.00 0.00 178.16 176.67 1v8p h ASP 92 N -0.82 0.84 0.02 3.88 3.45 -1.77 -2.47 116.42 119.55 1v8p h ASP 92 Ca -0.07 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.27 1v8p h ASP 92 Cb 0.58 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.13 1v8p h ASP 92 CO 0.11 0.72 -0.01 0.00 -1.57 0.00 0.00 179.24 178.49 1v8p h ALA 93 N 1.15 1.73 -0.59 3.45 0.00 -0.61 -2.27 119.26 122.12 1v8p h ALA 93 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1v8p h ALA 93 Cb 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1v8p h ALA 93 CO -0.03 0.02 0.29 0.77 0.00 0.00 0.00 179.25 180.29 1v8p h SER 94 N 0.00 0.77 -0.35 0.00 0.02 -0.91 0.11 113.55 113.20 1v8p h SER 94 Ca -0.00 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1v8p h SER 94 Cb 0.03 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1v8p h SER 94 CO 0.00 0.68 0.02 1.88 -1.14 0.00 0.00 176.83 178.28 1v8p h TYR 95 N 0.80 0.65 -0.32 3.45 -1.99 -1.49 -1.72 116.97 116.35 1v8p h TYR 95 Ca 0.20 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 1v8p h TYR 95 Cb 0.12 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 1v8p h TYR 95 CO -0.00 0.69 0.12 0.00 -0.00 0.00 0.00 178.16 178.97 1v8p h ALA 96 N 0.88 0.42 -0.41 3.88 0.00 -1.29 -1.67 119.26 121.07 1v8p h ALA 96 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1v8p h ALA 96 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1v8p h ALA 96 CO 0.01 0.03 0.21 -0.92 0.00 0.00 0.00 179.25 178.58 1v8p h TYR 97 N 0.37 0.58 -0.03 0.00 3.20 -0.71 -2.19 116.97 118.19 1v8p h TYR 97 Ca 0.11 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1v8p h TYR 97 Cb 0.20 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1v8p h TYR 97 CO -0.00 0.46 -0.00 0.28 -1.64 0.00 0.00 178.16 177.25 1v8p h VAL 98 N 0.53 1.27 -0.35 1.81 2.07 -1.25 -0.38 116.25 119.96 1v8p h VAL 98 Ca 0.14 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.91 1v8p h VAL 98 Cb 0.08 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 1v8p h VAL 98 CO -0.02 0.22 -0.15 0.00 0.02 0.00 0.00 177.57 177.64 1v8p h ALA 99 N 0.67 0.12 0.45 1.67 0.00 -1.28 0.12 119.26 121.01 1v8p h ALA 99 Ca 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1v8p h ALA 99 Cb 0.36 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1v8p h ALA 99 CO 0.00 -0.53 -0.21 0.93 0.00 0.00 0.00 179.25 179.44 1v8p h GLU 100 N -0.09 -0.58 -0.05 0.00 5.08 -1.41 1.07 114.58 118.59 1v8p h GLU 100 Ca 0.17 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1v8p h GLU 100 Cb 0.36 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1v8p h GLU 100 CO -0.41 -0.27 0.16 0.66 -1.00 0.00 0.00 179.01 178.15 1v8p h SER 101 N -0.97 0.00 -0.33 1.42 4.64 -0.91 0.57 113.55 117.97 1v8p h SER 101 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1v8p h SER 101 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1v8p h SER 101 CO 0.10 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.86 1v8p n SER 102 N -3.25 2.89 -3.60 4.97 7.64 0.42 -4.99 113.62 117.69 1v8p n SER 102 Ca -0.01 -1.90 -0.21 0.00 1.01 0.00 0.00 58.87 57.75 1v8p n SER 102 Cb 0.24 -0.22 0.06 0.00 -1.01 0.00 0.00 64.21 63.29 1v8p n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v8p n GLY 103 N 0.72 -0.39 3.66 0.23 0.00 0.19 -5.01 105.19 104.58 1v8p n GLY 103 Ca 0.12 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1v8p n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8p s LEU 104 N -6.74 2.98 -0.34 0.99 1.43 0.36 -5.01 118.68 112.34 1v8p s LEU 104 Ca 0.19 -1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 1v8p s LEU 104 Cb -0.09 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.90 1v8p s LEU 104 CO 0.77 -0.39 0.21 -0.69 0.23 0.00 0.00 176.35 176.48 1v8p s VAL 105 N -2.60 4.92 -0.03 -1.59 1.01 -0.69 -4.46 120.40 116.95 1v8p s VAL 105 Ca 0.37 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1v8p s VAL 105 Cb 0.04 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1v8p s VAL 105 CO 0.20 -0.06 1.51 -0.22 0.00 0.00 0.00 175.10 176.53 1v8p s LEU 106 N 1.65 4.31 -0.27 3.92 0.20 -1.26 -1.61 118.68 125.62 1v8p s LEU 106 Ca 0.05 2.15 -0.08 0.00 0.69 0.00 0.00 54.13 56.93 1v8p s LEU 106 Cb -0.18 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.01 1v8p s LEU 106 CO 0.08 -0.83 0.11 -0.69 -0.29 0.00 0.00 176.35 174.74 1v8p s VAL 107 N 3.21 4.56 0.03 1.68 1.01 0.60 -0.97 120.40 130.52 1v8p s VAL 107 Ca 0.68 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.35 1v8p s VAL 107 Cb -0.32 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1v8p s VAL 107 CO 0.27 0.27 0.36 0.28 0.00 0.00 0.00 175.10 176.28 1v8p s THR 108 N 1.64 0.06 -2.81 3.92 -1.32 -0.55 -2.05 115.64 114.53 1v8p s THR 108 Ca 0.06 -0.53 0.23 0.00 -1.21 0.00 0.00 61.69 60.25 1v8p s THR 108 Cb -0.16 -0.87 0.24 0.00 -1.51 0.00 0.00 72.50 70.21 1v8p s THR 108 CO 0.06 -0.29 1.28 1.67 -2.21 0.00 0.00 174.62 175.12 1v8p n GLN 109 N 0.73 2.31 -2.88 7.08 -0.06 -1.26 -3.95 117.38 119.35 1v8p n GLN 109 Ca -0.19 -1.99 -0.42 0.00 -2.00 0.00 0.00 57.00 52.40 1v8p n GLN 109 Cb 0.59 -1.46 -0.04 0.00 -4.06 0.00 0.00 30.24 25.26 1v8p n GLN 109 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1v8p s ASP 110 N -1.84 6.65 0.29 1.69 -1.08 -1.26 -4.94 116.67 116.18 1v8p s ASP 110 Ca 0.30 0.56 0.01 0.00 -0.52 0.00 0.00 52.55 52.90 1v8p s ASP 110 Cb 0.20 -2.43 0.54 0.00 -1.46 0.00 0.00 42.92 39.77 1v8p s ASP 110 CO 0.30 -0.76 1.85 0.03 0.52 0.00 0.00 175.17 177.12 1v8p h ARG 111 N 8.36 0.98 -0.49 4.34 -0.00 -1.99 -0.17 114.38 125.41 1v8p h ARG 111 Ca -0.24 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.98 59.08 1v8p h ARG 111 Cb 1.09 -0.22 -0.02 0.00 0.00 0.00 0.00 29.97 30.82 1v8p h ARG 111 CO 0.94 0.65 -0.12 1.49 0.00 0.00 0.00 179.97 182.93 1v8p h GLU 112 N 1.01 0.91 0.02 0.04 4.57 -1.99 -2.06 114.58 117.08 1v8p h GLU 112 Ca 0.47 -0.32 -0.22 0.00 -1.18 0.00 0.00 59.36 58.11 1v8p h GLU 112 Cb 0.42 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1v8p h GLU 112 CO -0.23 0.97 -0.96 -0.07 -1.18 0.00 0.00 179.01 177.54 1v8p h LEU 113 N 0.81 0.43 -0.29 1.64 3.38 -1.81 -2.20 115.31 117.27 1v8p h LEU 113 Ca 0.13 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1v8p h LEU 113 Cb 0.65 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1v8p h LEU 113 CO 0.04 1.17 0.12 -0.07 0.09 0.00 0.00 178.44 179.80 1v8p h LEU 114 N 0.17 0.17 -0.90 1.67 3.38 -0.90 -0.84 115.31 118.06 1v8p h LEU 114 Ca -0.08 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1v8p h LEU 114 Cb 1.61 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 1v8p h LEU 114 CO 0.16 0.13 -0.09 0.00 0.09 0.00 0.00 178.44 178.73 1v8p h ALA 115 N 1.16 0.98 -0.49 1.53 0.00 -1.41 -3.28 119.26 117.76 1v8p h ALA 115 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1v8p h ALA 115 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1v8p h ALA 115 CO -0.10 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1v8p n LYS 116 N -3.17 2.84 -3.86 0.00 5.02 -0.83 -4.89 118.16 113.27 1v8p n LYS 116 Ca 0.01 -2.28 -0.28 0.00 -2.02 0.00 0.00 58.31 53.74 1v8p n LYS 116 Cb 0.42 -1.39 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 1v8p n LYS 116 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v8p s THR 117 N -1.03 0.98 -0.06 -0.18 2.01 -0.38 -5.01 115.64 111.98 1v8p s THR 117 Ca 0.33 -0.58 -0.35 0.00 0.31 0.00 0.00 61.69 61.40 1v8p s THR 117 Cb 0.17 -1.20 -0.13 0.00 0.01 0.00 0.00 72.50 71.35 1v8p s THR 117 CO 0.22 0.08 1.80 0.29 -0.69 0.00 0.00 174.62 176.32 1v8p n LYS 118 N 4.91 2.06 -0.67 4.92 5.02 -1.26 -1.44 118.16 131.70 1v8p n LYS 118 Ca -0.11 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1v8p n LYS 118 Cb 0.48 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 1v8p n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v8p n GLY 119 N 4.16 1.08 3.77 0.72 0.00 -1.26 -4.83 105.19 108.83 1v8p n GLY 119 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1v8p n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v8p s ALA 120 N -3.45 3.53 0.16 4.61 0.00 -0.52 -4.49 121.76 121.60 1v8p s ALA 120 Ca 0.00 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.34 1v8p s ALA 120 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1v8p s ALA 120 CO 0.00 -0.75 -0.07 0.96 0.00 0.00 0.00 175.76 175.90 1v8p s ILE 121 N -1.03 1.05 0.66 0.00 -4.36 -0.14 -4.95 121.20 112.41 1v8p s ILE 121 Ca 0.51 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.88 1v8p s ILE 121 Cb -0.42 -1.96 0.10 0.00 1.25 0.00 0.00 42.46 41.44 1v8p s ILE 121 CO 0.55 -0.65 0.91 1.51 0.24 0.00 0.00 174.94 177.50 1v8p s ASP 122 N -3.18 4.67 0.11 4.36 1.47 -1.25 -1.49 116.67 121.35 1v8p s ASP 122 Ca 0.19 -0.43 -0.27 0.00 1.18 0.00 0.00 52.55 53.22 1v8p s ASP 122 Cb 0.04 -0.07 -0.09 0.00 -0.34 0.00 0.00 42.92 42.46 1v8p s ASP 122 CO 0.02 -1.62 1.63 0.58 0.68 0.00 0.00 175.17 176.46 1v8p h VAL 123 N -0.26 0.41 -0.57 2.11 2.07 -1.94 -1.08 116.25 116.99 1v8p h VAL 123 Ca -0.36 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.27 1v8p h VAL 123 Cb 1.28 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 31.34 1v8p h VAL 123 CO 0.42 0.00 -0.32 -0.08 0.02 0.00 0.00 177.57 177.61 1v8p h GLU 124 N -0.50 -0.16 -0.37 1.57 4.81 -1.96 0.14 114.58 118.12 1v8p h GLU 124 Ca 0.03 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1v8p h GLU 124 Cb 0.51 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1v8p h GLU 124 CO -0.14 -0.10 0.09 1.15 -0.73 0.00 0.00 179.01 179.27 1v8p h THR 125 N -0.16 0.83 -0.81 0.32 2.02 -1.90 -1.87 112.91 111.34 1v8p h THR 125 Ca 0.23 -0.08 0.11 0.00 0.77 0.00 0.00 66.41 67.44 1v8p h THR 125 Cb 0.54 0.59 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 1v8p h THR 125 CO -0.66 0.04 0.45 0.25 0.37 0.00 0.00 175.52 175.97 1v8p h LEU 126 N 0.22 0.61 -0.22 2.58 5.85 0.52 -2.21 115.31 122.65 1v8p h LEU 126 Ca 0.18 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1v8p h LEU 126 Cb 0.19 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1v8p h LEU 126 CO -0.22 0.33 0.02 -0.07 -0.34 0.00 0.00 178.44 178.17 1v8p h LEU 127 N 0.73 0.37 -1.44 2.25 3.38 -0.34 -2.77 115.31 117.49 1v8p h LEU 127 Ca 0.40 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 58.22 1v8p h LEU 127 Cb 0.43 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1v8p h LEU 127 CO -0.28 0.55 0.52 -0.37 0.09 0.00 0.00 178.44 178.95 1v8p h VAL 128 N 0.17 0.86 0.64 1.22 -1.51 -0.77 -1.52 116.25 115.34 1v8p h VAL 128 Ca 0.07 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 65.31 1v8p h VAL 128 Cb 0.35 0.23 0.01 0.00 -2.13 0.00 0.00 31.29 29.75 1v8p h VAL 128 CO 0.01 0.11 -0.31 0.03 -1.23 0.00 0.00 177.57 176.17 1v8p h ARG 129 N 0.58 -0.83 -0.44 5.19 3.08 -1.31 -2.91 114.38 117.73 1v8p h ARG 129 Ca 0.38 0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.61 1v8p h ARG 129 Cb 0.67 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 1v8p h ARG 129 CO -0.14 -0.54 0.40 -0.07 -1.07 0.00 0.00 179.97 178.55 1v8p h LEU 130 N -1.20 0.00 -0.29 3.04 3.38 -1.20 0.84 115.31 119.88 1v8p h LEU 130 Ca -0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1v8p h LEU 130 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1v8p h LEU 130 CO 0.15 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.48 1v8p h ALA 131 N 1.61 0.41 -0.58 1.53 0.00 -1.24 -2.85 119.26 118.15 1v8p h ALA 131 Ca 0.21 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1v8p h ALA 131 Cb 1.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1v8p h ALA 131 CO -0.00 0.35 0.39 0.00 0.00 0.00 0.00 179.25 179.99 1v8p h ALA 132 N 0.73 1.64 -0.02 0.00 0.00 -0.64 -3.52 119.26 117.45 1v8p h ALA 132 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1v8p h ALA 132 Cb 0.74 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1v8p h ALA 132 CO 0.05 0.32 0.00 1.04 0.00 0.00 0.00 179.25 180.66