#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8q n ASN 3 N 0.00 0.00 0.00 1.61 5.15 -1.26 -5.05 115.26 115.71 1r8q n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1r8q n ASN 3 Cb 0.00 0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 1r8q n ASN 3 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1r8q n ILE 4 N -2.37 0.00 -0.04 -1.44 -6.64 -1.26 -4.78 119.36 102.83 1r8q n ILE 4 Ca 0.00 0.00 -0.14 0.00 -1.77 0.00 0.00 62.75 60.84 1r8q n ILE 4 Cb 0.00 0.00 -0.09 0.00 -1.44 0.00 0.00 39.64 38.11 1r8q n ILE 4 CO 0.00 0.00 0.00 -0.26 -1.77 0.00 0.00 176.55 174.52 1r8q h PHE 5 N 0.00 0.32 -0.63 4.28 0.04 -1.96 -3.16 116.94 115.83 1r8q h PHE 5 Ca 0.00 -0.12 0.11 0.00 2.80 0.00 0.00 57.97 60.77 1r8q h PHE 5 Cb 0.00 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.05 1r8q h PHE 5 CO 0.00 0.77 0.42 0.00 -0.60 0.00 0.00 178.31 178.90 1r8q h ALA 6 N 0.49 2.08 0.00 2.45 0.00 -1.91 -1.50 119.26 120.88 1r8q h ALA 6 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1r8q h ALA 6 Cb 0.75 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1r8q h ALA 6 CO 0.04 -0.24 -0.23 -0.91 0.00 0.00 0.00 179.25 177.91 1r8q h ASN 7 N 0.37 0.00 0.09 0.00 2.35 -1.92 -1.43 115.58 115.04 1r8q h ASN 7 Ca 0.30 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1r8q h ASN 7 Cb 0.66 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 1r8q h ASN 7 CO -0.08 0.23 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.84 1r8q h LEU 8 N 0.00 0.00 -3.49 1.61 3.38 -1.23 -2.49 115.31 113.08 1r8q h LEU 8 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1r8q h LEU 8 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1r8q h LEU 8 CO 0.03 0.02 0.02 0.49 0.09 0.00 0.00 178.44 179.09 1r8q n PHE 9 N -3.64 1.77 -0.16 1.13 3.72 -0.54 -4.70 117.46 115.04 1r8q n PHE 9 Ca -0.03 -0.83 -0.07 0.00 -0.05 0.00 0.00 57.45 56.48 1r8q n PHE 9 Cb 0.11 -0.47 -0.01 0.00 -0.94 0.00 0.00 39.48 38.17 1r8q n PHE 9 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1r8q h LYS 10 N 3.20 -0.21 -0.98 -1.08 1.57 -1.48 -3.18 116.57 114.41 1r8q h LYS 10 Ca 0.02 0.01 -0.40 0.00 -1.87 0.00 0.00 60.65 58.42 1r8q h LYS 10 Cb 1.86 0.05 -0.24 0.00 0.08 0.00 0.00 32.23 33.97 1r8q h LYS 10 CO 0.43 -0.14 0.51 0.41 -0.57 0.00 0.00 179.45 180.10 1r8q n GLY 11 N -1.42 3.97 3.18 3.86 0.00 -1.26 -4.77 105.19 108.74 1r8q n GLY 11 Ca 0.02 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1r8q n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r8q n LEU 12 N -0.78 5.91 -0.10 0.99 7.99 -1.21 -4.85 117.00 124.95 1r8q n LEU 12 Ca 0.47 -4.56 0.00 0.00 -0.01 0.00 0.00 56.01 51.91 1r8q n LEU 12 Cb 1.44 -1.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 1r8q n LEU 12 CO 0.48 1.05 0.00 2.22 -1.51 0.00 0.00 177.39 179.63 1r8q n PHE 13 N 4.74 0.00 -1.07 -1.77 1.16 -1.26 -4.18 117.46 115.08 1r8q n PHE 13 Ca 0.38 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.85 1r8q n PHE 13 Cb 0.40 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.22 1r8q n PHE 13 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1r8q n GLY 14 N 0.16 -0.04 0.00 4.97 0.00 -1.26 -3.68 105.19 105.34 1r8q n GLY 14 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1r8q n GLY 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r8q n LYS 15 N 5.77 0.00 -2.81 1.61 3.00 -1.26 -5.10 118.16 119.37 1r8q n LYS 15 Ca 0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.07 1r8q n LYS 15 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.42 1r8q n LYS 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1r8q s LYS 16 N 0.22 4.10 0.20 1.64 -2.85 -1.24 -4.98 119.74 116.82 1r8q s LYS 16 Ca 0.00 0.93 -0.31 0.00 -1.00 0.00 0.00 55.97 55.59 1r8q s LYS 16 Cb 0.00 -3.69 -0.10 0.00 -2.06 0.00 0.00 37.83 31.97 1r8q s LYS 16 CO 0.00 -0.68 1.53 -1.21 0.10 0.00 0.00 175.35 175.09 1r8q s GLU 17 N 3.13 4.22 -0.09 1.78 2.02 -1.26 -4.93 118.70 123.58 1r8q s GLU 17 Ca 0.38 2.36 0.03 0.00 0.02 0.00 0.00 54.97 57.77 1r8q s GLU 17 Cb -0.14 -3.13 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 1r8q s GLU 17 CO 0.11 -0.56 -0.20 -1.64 0.02 0.00 0.00 175.26 173.00 1r8q s MET 18 N 0.57 2.88 -0.09 1.61 -1.94 -0.80 -5.04 119.30 116.49 1r8q s MET 18 Ca 0.66 -0.80 0.03 0.00 -1.71 0.00 0.00 55.69 53.88 1r8q s MET 18 Cb -0.44 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.03 1r8q s MET 18 CO 0.36 0.34 -0.19 1.03 -0.01 0.00 0.00 175.02 176.54 1r8q s ARG 19 N -0.02 2.93 -0.11 2.03 0.52 -1.26 -1.57 118.95 121.47 1r8q s ARG 19 Ca -0.06 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1r8q s ARG 19 Cb -0.15 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 32.95 1r8q s ARG 19 CO 0.05 0.32 -0.22 0.42 0.02 0.00 0.00 175.30 175.88 1r8q s ILE 20 N 0.03 1.96 -0.09 1.52 -1.09 0.07 -1.91 121.20 121.70 1r8q s ILE 20 Ca -0.07 -0.95 -0.04 0.00 -2.23 0.00 0.00 60.65 57.36 1r8q s ILE 20 Cb -0.15 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 38.98 1r8q s ILE 20 CO 0.05 0.54 0.08 -0.76 -1.23 0.00 0.00 174.94 173.61 1r8q s LEU 21 N 0.54 3.99 -0.18 2.97 1.43 -0.74 -1.19 118.68 125.50 1r8q s LEU 21 Ca -0.15 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1r8q s LEU 21 Cb -0.17 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1r8q s LEU 21 CO 0.05 0.37 -0.08 -0.32 0.23 0.00 0.00 176.35 176.60 1r8q s MET 22 N -1.09 3.39 0.20 1.70 -2.45 0.34 -0.51 119.30 120.88 1r8q s MET 22 Ca 0.16 -0.65 0.03 0.00 -1.25 0.00 0.00 55.69 53.98 1r8q s MET 22 Cb -0.12 -2.83 -0.05 0.00 1.25 0.00 0.00 34.83 33.08 1r8q s MET 22 CO 0.05 0.01 -0.02 0.08 1.05 0.00 0.00 175.02 176.19 1r8q s VAL 23 N 0.92 0.94 0.00 10.11 1.01 0.16 -0.62 120.40 132.92 1r8q s VAL 23 Ca -0.02 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 59.94 1r8q s VAL 23 Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1r8q s VAL 23 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1r8q n GLY 24 N -0.33 3.22 3.71 4.51 0.00 -1.26 -0.66 105.19 114.38 1r8q n GLY 24 Ca -0.06 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1r8q n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r8q s LEU 25 N 0.00 3.04 0.13 0.99 1.43 -1.26 -4.82 118.68 118.19 1r8q s LEU 25 Ca 0.00 2.16 -0.34 0.00 -1.03 0.00 0.00 54.13 54.91 1r8q s LEU 25 Cb 0.00 -4.56 -0.17 0.00 0.03 0.00 0.00 46.19 41.49 1r8q s LEU 25 CO 0.00 -2.59 1.13 0.47 0.23 0.00 0.00 176.35 175.59 1r8q n ASP 26 N -3.58 0.98 0.00 2.29 8.00 -1.26 -2.12 116.55 120.86 1r8q n ASP 26 Ca 0.12 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.76 1r8q n ASP 26 Cb 0.52 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1r8q n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r8q n ALA 27 N 1.58 0.00 0.05 2.24 0.00 -1.26 -4.92 120.51 118.20 1r8q n ALA 27 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.60 1r8q n ALA 27 Cb 0.21 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.93 1r8q n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r8q h ALA 28 N 0.00 1.27 0.00 0.00 0.00 -1.75 -3.45 119.26 115.33 1r8q h ALA 28 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1r8q h ALA 28 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1r8q h ALA 28 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1r8q n GLY 29 N -0.60 0.35 0.26 0.00 0.00 -1.26 -4.16 105.19 99.78 1r8q n GLY 29 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1r8q n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r8q h LYS 30 N 0.00 -0.54 -0.93 1.61 1.57 -1.90 0.01 116.57 116.38 1r8q h LYS 30 Ca 0.00 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1r8q h LYS 30 Cb 0.00 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 1r8q h LYS 30 CO 0.00 -0.36 0.61 1.15 -0.57 0.00 0.00 179.45 180.27 1r8q h THR 31 N -0.56 1.07 -0.47 -0.16 2.02 -1.99 -0.65 112.91 112.17 1r8q h THR 31 Ca -0.04 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 1r8q h THR 31 Cb 0.46 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1r8q h THR 31 CO 0.05 0.19 0.09 0.74 0.37 0.00 0.00 175.52 176.97 1r8q h THR 32 N 1.06 1.24 -0.19 3.16 2.02 -1.89 0.22 112.91 118.54 1r8q h THR 32 Ca 0.40 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.71 1r8q h THR 32 Cb 0.20 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1r8q h THR 32 CO -0.16 0.31 0.10 0.40 0.37 0.00 0.00 175.52 176.54 1r8q h ILE 33 N 0.64 1.00 -0.80 3.11 2.04 -0.57 -2.65 117.51 120.29 1r8q h ILE 33 Ca 0.14 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1r8q h ILE 33 Cb 0.37 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1r8q h ILE 33 CO 0.01 0.04 0.40 0.25 0.00 0.00 0.00 178.15 178.85 1r8q h LEU 34 N 0.20 1.02 -1.34 1.44 5.85 -0.78 -1.50 115.31 120.20 1r8q h LEU 34 Ca 0.07 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1r8q h LEU 34 Cb 0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1r8q h LEU 34 CO -0.05 0.84 0.23 1.88 -0.34 0.00 0.00 178.44 181.01 1r8q h TYR 35 N 1.13 0.68 -0.46 1.25 0.05 -0.78 -1.73 116.97 117.10 1r8q h TYR 35 Ca 0.28 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.96 1r8q h TYR 35 Cb 0.08 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1r8q h TYR 35 CO 0.01 0.50 -0.06 0.87 -1.05 0.00 0.00 178.16 178.43 1r8q h LYS 36 N 0.69 0.80 0.00 4.88 1.79 -1.03 -2.93 116.57 120.77 1r8q h LYS 36 Ca 0.17 -0.25 -0.08 0.00 -2.18 0.00 0.00 60.65 58.32 1r8q h LYS 36 Cb 0.08 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1r8q h LYS 36 CO -0.02 0.85 -0.36 -0.07 -1.08 0.00 0.00 179.45 178.76 1r8q h LEU 37 N 0.74 0.00 -0.65 2.94 3.38 -0.74 -2.88 115.31 118.09 1r8q h LEU 37 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1r8q h LEU 37 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1r8q h LEU 37 CO 0.03 0.36 0.00 0.29 0.09 0.00 0.00 178.44 179.21 1r8q n LYS 38 N -3.53 1.44 0.00 1.13 5.02 -0.70 -4.93 118.16 116.60 1r8q n LYS 38 Ca -0.00 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 1r8q n LYS 38 Cb 0.50 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1r8q n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1r8q n LEU 39 N -0.19 0.00 -2.00 -0.35 7.99 -1.09 -2.67 117.00 118.68 1r8q n LEU 39 Ca 0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.98 1r8q n LEU 39 Cb 0.26 0.00 0.10 0.00 -0.11 0.00 0.00 43.42 43.67 1r8q n LEU 39 CO 0.16 -0.55 1.20 0.61 -1.51 0.00 0.00 177.39 177.30 1r8q n GLY 40 N 0.00 4.39 3.76 -0.72 0.00 -1.26 -4.79 105.19 106.57 1r8q n GLY 40 Ca 0.00 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 1r8q n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r8q s GLU 41 N -2.62 4.25 0.02 1.61 0.41 -1.09 -4.71 118.70 116.58 1r8q s GLU 41 Ca 0.45 2.35 -0.37 0.00 -0.41 0.00 0.00 54.97 57.00 1r8q s GLU 41 Cb 0.36 -3.06 -0.15 0.00 -1.78 0.00 0.00 34.13 29.50 1r8q s GLU 41 CO 0.04 -0.39 1.51 -0.89 -0.49 0.00 0.00 175.26 175.04 1r8q n ILE 42 N 1.44 0.10 -2.38 -1.63 2.08 -1.26 -4.86 119.36 112.86 1r8q n ILE 42 Ca 0.03 -0.02 -0.41 0.00 0.56 0.00 0.00 62.75 62.92 1r8q n ILE 42 Cb 0.40 -1.13 -0.04 0.00 -0.75 0.00 0.00 39.64 38.12 1r8q n ILE 42 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1r8q s VAL 43 N 1.42 3.35 0.29 1.39 1.01 -1.26 -4.96 120.40 121.63 1r8q s VAL 43 Ca 0.86 1.30 -0.28 0.00 0.00 0.00 0.00 61.98 63.86 1r8q s VAL 43 Cb -0.89 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 31.56 1r8q s VAL 43 CO 0.49 0.29 0.97 0.42 0.00 0.00 0.00 175.10 177.27 1r8q s THR 44 N -0.90 4.00 -2.25 3.92 -4.23 -1.26 -4.96 115.64 109.97 1r8q s THR 44 Ca 0.47 1.86 0.20 0.00 -1.18 0.00 0.00 61.69 63.04 1r8q s THR 44 Cb -0.34 -4.12 0.11 0.00 1.34 0.00 0.00 72.50 69.49 1r8q s THR 44 CO 0.42 0.32 1.08 1.07 -0.54 0.00 0.00 174.62 176.98 1r8q n THR 45 N 1.02 0.00 -2.87 3.99 5.66 -1.26 -5.03 114.28 115.79 1r8q n THR 45 Ca -0.00 -0.44 -0.20 0.00 -3.05 0.00 0.00 64.05 60.37 1r8q n THR 45 Cb 0.48 1.35 0.04 0.00 -1.55 0.00 0.00 70.33 70.66 1r8q n THR 45 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1r8q s ILE 46 N -1.82 2.56 0.31 1.09 1.10 -1.26 -5.19 121.20 118.00 1r8q s ILE 46 Ca 0.21 -0.86 0.04 0.00 -0.51 0.00 0.00 60.65 59.53 1r8q s ILE 46 Cb 0.16 -2.70 -0.03 0.00 0.15 0.00 0.00 42.46 40.05 1r8q s ILE 46 CO 0.32 0.00 0.29 -2.16 -2.11 0.00 0.00 174.94 171.28 1r8q s PRO 47 N -4.65 1.70 -0.03 3.50 0.04 -1.26 -5.21 135.00 129.09 1r8q s PRO 47 Ca 0.59 -1.91 0.01 0.00 0.04 0.00 0.00 61.00 59.73 1r8q s PRO 47 Cb -0.08 0.34 0.02 0.00 0.04 0.00 0.00 34.50 34.81 1r8q s PRO 47 CO 0.38 -0.64 -0.03 0.99 0.04 0.00 0.00 177.00 177.74 1r8q s THR 48 N -3.49 0.33 0.05 1.26 2.01 -1.26 -5.14 115.64 109.40 1r8q s THR 48 Ca 0.39 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1r8q s THR 48 Cb 0.03 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 1r8q s THR 48 CO 0.24 0.15 1.17 -0.63 -0.69 0.00 0.00 174.62 174.86 1r8q s ILE 49 N 0.65 4.16 -3.92 1.82 -1.09 -1.26 -4.77 121.20 116.79 1r8q s ILE 49 Ca -0.07 1.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.90 1r8q s ILE 49 Cb -0.10 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1r8q s ILE 49 CO -0.01 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 1r8q n GLY 50 N 3.18 0.67 3.78 6.18 0.00 -1.26 -5.09 105.19 112.65 1r8q n GLY 50 Ca 0.09 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 1r8q n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r8q s PHE 51 N -3.90 3.18 0.24 1.61 0.08 -1.26 -4.98 117.98 112.95 1r8q s PHE 51 Ca 0.00 1.62 -0.31 0.00 0.12 0.00 0.00 56.93 58.36 1r8q s PHE 51 Cb 0.00 -3.17 -0.12 0.00 -0.57 0.00 0.00 43.02 39.16 1r8q s PHE 51 CO 0.00 -0.80 1.66 0.09 -0.10 0.00 0.00 175.22 176.07 1r8q n ASN 52 N -0.18 3.84 -4.09 1.36 3.02 -1.26 -4.98 115.26 112.97 1r8q n ASN 52 Ca 0.06 1.10 -0.32 0.00 -0.03 0.00 0.00 54.58 55.38 1r8q n ASN 52 Cb 0.49 -1.57 -0.15 0.00 -0.61 0.00 0.00 39.78 37.95 1r8q n ASN 52 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r8q s VAL 53 N 0.68 2.20 -0.37 2.41 1.01 -1.26 -5.02 120.40 120.06 1r8q s VAL 53 Ca 0.71 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1r8q s VAL 53 Cb -0.52 -2.19 0.10 0.00 0.00 0.00 0.00 36.38 33.77 1r8q s VAL 53 CO 0.39 0.13 0.11 -1.61 0.00 0.00 0.00 175.10 174.12 1r8q s GLU 54 N 1.17 1.74 0.03 2.72 2.02 -1.26 -5.09 118.70 120.02 1r8q s GLU 54 Ca -0.05 -1.83 -0.02 0.00 0.02 0.00 0.00 54.97 53.09 1r8q s GLU 54 Cb -0.18 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 1r8q s GLU 54 CO -0.07 -0.98 0.02 -0.08 0.02 0.00 0.00 175.26 174.17 1r8q s THR 55 N 1.01 0.13 -0.00 3.63 -1.32 -1.26 -1.74 115.64 116.08 1r8q s THR 55 Ca 0.09 -1.07 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1r8q s THR 55 Cb -0.21 -0.63 -0.00 0.00 -1.51 0.00 0.00 72.50 70.15 1r8q s THR 55 CO -0.06 -0.59 -0.06 0.54 -2.21 0.00 0.00 174.62 172.24 1r8q s VAL 56 N -2.12 0.45 -0.09 5.08 0.11 -0.56 -5.00 120.40 118.28 1r8q s VAL 56 Ca -0.10 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1r8q s VAL 56 Cb -0.05 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1r8q s VAL 56 CO -0.03 0.13 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.07 1r8q s GLU 57 N -0.12 2.90 -0.50 1.54 2.02 -1.26 -0.88 118.70 122.40 1r8q s GLU 57 Ca 0.02 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1r8q s GLU 57 Cb -0.02 -2.39 0.13 0.00 0.10 0.00 0.00 34.13 31.95 1r8q s GLU 57 CO -0.00 0.34 0.27 0.71 0.02 0.00 0.00 175.26 176.61 1r8q s TYR 58 N -0.03 3.45 0.00 1.61 2.02 0.13 -5.00 117.35 119.54 1r8q s TYR 58 Ca -0.05 -2.82 0.00 0.00 -0.37 0.00 0.00 57.07 53.83 1r8q s TYR 58 Cb -0.14 -3.06 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1r8q s TYR 58 CO 0.05 -0.86 0.00 1.17 -1.57 0.00 0.00 175.55 174.33 1r8q n LYS 59 N 3.77 -0.45 0.00 -0.62 4.81 -1.26 -1.05 118.16 123.36 1r8q n LYS 59 Ca 0.04 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1r8q n LYS 59 Cb 0.38 -0.70 0.00 0.00 0.02 0.00 0.00 35.03 34.73 1r8q n LYS 59 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1r8q n ASN 60 N 1.61 0.00 -4.72 3.14 4.05 -1.26 -4.99 115.26 113.09 1r8q n ASN 60 Ca 0.00 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.68 1r8q n ASN 60 Cb 0.25 0.00 -0.09 0.00 1.23 0.00 0.00 39.78 41.18 1r8q n ASN 60 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1r8q s ILE 61 N -0.00 4.48 0.05 -1.44 2.07 -0.21 -1.91 121.20 124.24 1r8q s ILE 61 Ca 0.00 -0.27 0.08 0.00 -1.41 0.00 0.00 60.65 59.06 1r8q s ILE 61 Cb 0.00 -2.93 -0.03 0.00 0.13 0.00 0.00 42.46 39.63 1r8q s ILE 61 CO 0.00 0.54 -0.23 -0.55 -1.91 0.00 0.00 174.94 172.79 1r8q s SER 62 N -1.11 2.81 -0.10 4.50 0.15 -0.61 0.22 113.70 119.56 1r8q s SER 62 Ca 0.16 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.26 1r8q s SER 62 Cb -0.12 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 1r8q s SER 62 CO 0.05 0.20 -0.17 -0.36 1.20 0.00 0.00 173.24 174.15 1r8q s PHE 63 N -0.84 2.09 -0.03 3.44 0.08 -0.06 -0.75 117.98 121.92 1r8q s PHE 63 Ca 0.10 -0.94 0.02 0.00 0.12 0.00 0.00 56.93 56.23 1r8q s PHE 63 Cb -0.09 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.89 1r8q s PHE 63 CO 0.02 -0.45 -0.08 0.99 -0.10 0.00 0.00 175.22 175.60 1r8q s THR 64 N 0.78 0.71 -0.06 0.64 2.01 -0.33 -1.50 115.64 117.90 1r8q s THR 64 Ca -0.10 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 1r8q s THR 64 Cb -0.16 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1r8q s THR 64 CO 0.01 0.23 1.05 -0.69 -0.69 0.00 0.00 174.62 174.54 1r8q s VAL 65 N 0.30 4.64 -0.31 3.82 1.01 -0.71 -0.51 120.40 128.63 1r8q s VAL 65 Ca -0.04 1.91 -0.07 0.00 0.00 0.00 0.00 61.98 63.78 1r8q s VAL 65 Cb -0.09 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1r8q s VAL 65 CO 0.00 0.05 0.09 0.86 0.00 0.00 0.00 175.10 176.10 1r8q s TRP 66 N 1.76 3.19 -0.20 5.22 -0.11 0.21 -4.69 118.94 124.32 1r8q s TRP 66 Ca 0.51 -1.14 -0.29 0.00 1.22 0.00 0.00 56.10 56.40 1r8q s TRP 66 Cb -0.21 -2.27 -0.01 0.00 -1.50 0.00 0.00 33.47 29.48 1r8q s TRP 66 CO 0.22 -0.64 1.30 0.34 -4.62 0.00 0.00 176.95 173.56 1r8q s ASP 67 N 1.46 6.83 -0.13 5.86 -1.08 -1.26 -4.56 116.67 123.79 1r8q s ASP 67 Ca 0.01 1.57 0.12 0.00 -0.52 0.00 0.00 52.55 53.73 1r8q s ASP 67 Cb -0.18 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.31 1r8q s ASP 67 CO 0.03 -0.88 1.41 1.33 0.52 0.00 0.00 175.17 177.57 1r8q n VAL 68 N 5.66 1.67 -1.43 1.11 0.24 -1.26 -4.98 118.33 119.35 1r8q n VAL 68 Ca 0.14 -0.94 -0.29 0.00 -2.04 0.00 0.00 64.34 61.22 1r8q n VAL 68 Cb 0.45 -0.15 0.15 0.00 -1.47 0.00 0.00 33.84 32.82 1r8q n VAL 68 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1r8q s GLY 69 N -0.68 1.58 0.00 7.63 0.00 -1.26 -4.96 107.32 109.63 1r8q s GLY 69 Ca 0.39 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1r8q s GLY 69 CO 0.15 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.92 1r8q n GLY 70 N -1.91 -3.72 3.88 0.20 0.00 -1.26 -5.02 105.19 97.36 1r8q n GLY 70 Ca 0.07 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1r8q n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r8q s GLN 71 N -0.88 3.38 0.47 1.61 -0.21 -1.26 -4.96 119.66 117.80 1r8q s GLN 71 Ca 0.00 0.61 0.18 0.00 0.02 0.00 0.00 55.36 56.17 1r8q s GLN 71 Cb 0.00 -2.09 1.13 0.00 1.00 0.00 0.00 33.01 33.05 1r8q s GLN 71 CO 0.00 -0.67 2.02 -0.44 -2.12 0.00 0.00 175.29 174.07 1r8q h ASP 72 N -0.37 0.00 0.02 5.90 5.19 -1.99 -3.00 116.42 122.17 1r8q h ASP 72 Ca -0.44 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1r8q h ASP 72 Cb 1.21 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 1r8q h ASP 72 CO 0.62 0.17 -0.00 0.11 -3.12 0.00 0.00 179.24 177.02 1r8q h LYS 73 N 0.00 0.00 -0.01 3.56 1.57 -2.02 -2.18 116.57 117.49 1r8q h LYS 73 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r8q h LYS 73 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1r8q h LYS 73 CO 0.02 0.00 -0.51 0.44 -0.57 0.00 0.00 179.45 178.83 1r8q n ILE 74 N -3.55 0.00 0.26 1.86 -6.64 -1.13 -4.46 119.36 105.70 1r8q n ILE 74 Ca -0.03 -0.11 0.09 0.00 -1.77 0.00 0.00 62.75 60.93 1r8q n ILE 74 Cb 0.08 0.69 0.67 0.00 -1.44 0.00 0.00 39.64 39.64 1r8q n ILE 74 CO 0.00 0.00 0.00 0.03 -1.77 0.00 0.00 176.55 174.81 1r8q h ARG 75 N 1.00 0.00 0.00 6.28 3.08 -1.55 -1.77 114.38 121.43 1r8q h ARG 75 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r8q h ARG 75 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1r8q h ARG 75 CO 0.00 0.04 -0.01 -1.35 -1.07 0.00 0.00 179.97 177.58 1r8q h PRO 76 N 0.00 0.00 0.00 0.04 0.11 -1.79 -1.75 132.00 128.61 1r8q h PRO 76 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1r8q h PRO 76 Cb 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 1r8q h PRO 76 CO 0.01 0.01 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.68 1r8q h LEU 77 N 0.00 0.00 -0.50 2.35 3.38 -1.64 -3.01 115.31 115.89 1r8q h LEU 77 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r8q h LEU 77 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1r8q h LEU 77 CO 0.00 0.06 0.00 -0.50 0.09 0.00 0.00 178.44 178.09 1r8q h TRP 78 N 0.00 0.00 -0.36 1.13 6.55 -1.45 -3.41 115.95 118.40 1r8q h TRP 78 Ca -0.00 0.00 0.07 0.00 0.95 0.00 0.00 58.89 59.91 1r8q h TRP 78 Cb 0.50 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 28.71 1r8q h TRP 78 CO 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 178.44 177.03 1r8q h ARG 79 N 0.00 -0.29 -0.87 0.49 3.08 -1.69 -1.09 114.38 114.01 1r8q h ARG 79 Ca 0.00 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.22 1r8q h ARG 79 Cb 0.56 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.61 1r8q h ARG 79 CO 0.00 -0.19 0.56 1.25 -1.07 0.00 0.00 179.97 180.52 1r8q h HIS 80 N -0.30 0.71 0.00 3.04 2.76 -1.87 -2.45 115.15 117.04 1r8q h HIS 80 Ca 0.15 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1r8q h HIS 80 Cb 0.56 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1r8q h HIS 80 CO -0.55 0.25 0.00 1.88 -1.30 0.00 0.00 177.93 178.21 1r8q h TYR 81 N 0.59 0.00 0.00 5.26 0.05 -1.51 -2.79 116.97 118.57 1r8q h TYR 81 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.22 1r8q h TYR 81 Cb 0.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 1r8q h TYR 81 CO -0.00 0.00 -0.64 0.74 -1.05 0.00 0.00 178.16 177.21 1r8q h PHE 82 N 0.00 0.00 -4.06 4.88 -1.00 -1.41 -3.47 116.94 111.88 1r8q h PHE 82 Ca 0.00 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.23 1r8q h PHE 82 Cb 0.68 0.00 0.14 0.00 3.61 0.00 0.00 35.95 40.38 1r8q h PHE 82 CO 0.00 0.00 0.59 -0.65 -1.61 0.00 0.00 178.31 176.64 1r8q s GLN 83 N -3.25 3.02 -1.23 1.51 -0.21 -1.06 -3.46 119.66 114.98 1r8q s GLN 83 Ca 0.04 2.20 -0.01 0.00 0.02 0.00 0.00 55.36 57.61 1r8q s GLN 83 Cb 0.10 -2.17 0.00 0.00 1.00 0.00 0.00 33.01 31.95 1r8q s GLN 83 CO 0.73 -1.28 0.94 -1.71 -2.12 0.00 0.00 175.29 171.86 1r8q n ASN 84 N -1.21 -2.07 -4.19 5.90 5.15 -1.26 -5.00 115.26 112.57 1r8q n ASN 84 Ca 0.11 -0.66 -0.33 0.00 -0.60 0.00 0.00 54.58 53.11 1r8q n ASN 84 Cb 0.46 -4.89 -0.16 0.00 -0.53 0.00 0.00 39.78 34.66 1r8q n ASN 84 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1r8q s THR 85 N -3.42 2.22 -0.49 -0.44 2.01 -1.22 -4.29 115.64 110.00 1r8q s THR 85 Ca 0.03 -0.92 0.19 0.00 0.31 0.00 0.00 61.69 61.30 1r8q s THR 85 Cb -0.02 -1.91 -0.24 0.00 0.01 0.00 0.00 72.50 70.34 1r8q s THR 85 CO 0.75 0.54 0.62 0.00 -0.69 0.00 0.00 174.62 175.84 1r8q n GLN 86 N 4.12 0.74 -3.74 4.92 3.00 -0.80 -4.57 117.38 121.05 1r8q n GLN 86 Ca -0.20 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.58 1r8q n GLN 86 Cb 0.51 -1.41 -0.09 0.00 0.00 0.00 0.00 30.24 29.25 1r8q n GLN 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1r8q s GLY 87 N -3.41 -0.22 -0.10 1.08 0.00 -1.20 -1.88 107.32 101.60 1r8q s GLY 87 Ca 0.01 0.63 0.03 0.00 0.00 0.00 0.00 44.72 45.39 1r8q s GLY 87 CO 0.78 0.44 -0.19 -2.27 0.00 0.00 0.00 173.10 171.86 1r8q s LEU 88 N -0.78 1.91 -0.21 0.66 2.96 0.30 -1.78 118.68 121.73 1r8q s LEU 88 Ca -0.09 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.27 1r8q s LEU 88 Cb -0.04 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 1r8q s LEU 88 CO 0.03 0.09 0.09 -0.63 -1.32 0.00 0.00 176.35 174.60 1r8q s ILE 89 N 0.64 4.78 -0.18 6.68 1.01 0.33 -0.96 121.20 133.49 1r8q s ILE 89 Ca -0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 1r8q s ILE 89 Cb -0.16 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1r8q s ILE 89 CO 0.04 0.40 -0.06 0.12 0.00 0.00 0.00 174.94 175.44 1r8q s PHE 90 N 0.89 2.95 -0.18 3.97 5.36 0.10 -0.66 117.98 130.40 1r8q s PHE 90 Ca 0.05 -0.69 -0.06 0.00 -0.96 0.00 0.00 56.93 55.27 1r8q s PHE 90 Cb -0.14 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 1r8q s PHE 90 CO 0.03 -0.33 0.04 0.08 -1.46 0.00 0.00 175.22 173.57 1r8q s VAL 91 N 0.94 4.50 -0.01 3.12 1.01 0.17 -0.92 120.40 129.21 1r8q s VAL 91 Ca -0.01 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1r8q s VAL 91 Cb -0.15 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1r8q s VAL 91 CO 0.01 0.45 -0.18 0.54 0.00 0.00 0.00 175.10 175.92 1r8q s VAL 92 N 0.52 1.42 -0.62 2.92 0.11 -0.33 -4.26 120.40 120.16 1r8q s VAL 92 Ca 0.01 -0.77 -0.27 0.00 -2.93 0.00 0.00 61.98 58.02 1r8q s VAL 92 Cb -0.13 -1.18 0.01 0.00 -1.53 0.00 0.00 36.38 33.54 1r8q s VAL 92 CO 0.01 0.40 1.52 -0.62 -3.33 0.00 0.00 175.10 173.08 1r8q s ASP 93 N -0.42 5.88 0.41 3.54 -1.08 -1.26 -0.59 116.67 123.16 1r8q s ASP 93 Ca 0.07 0.13 0.29 0.00 -0.52 0.00 0.00 52.55 52.52 1r8q s ASP 93 Cb -0.07 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.16 1r8q s ASP 93 CO -0.01 -1.94 1.87 0.28 0.52 0.00 0.00 175.17 175.90 1r8q h SER 94 N 11.95 0.00 1.73 -0.34 0.02 -1.25 -2.23 113.55 123.44 1r8q h SER 94 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1r8q h SER 94 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1r8q h SER 94 CO 1.21 0.00 -0.15 -1.13 -1.14 0.00 0.00 176.83 175.62 1r8q h ASN 95 N 0.00 0.00 -1.75 3.07 -1.24 -1.80 0.15 115.58 114.01 1r8q h ASN 95 Ca 0.00 -0.01 -0.76 0.00 0.71 0.00 0.00 56.30 56.24 1r8q h ASN 95 Cb 0.31 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 39.18 1r8q h ASN 95 CO 0.00 0.00 1.73 -0.67 -1.29 0.00 0.00 177.43 177.20 1r8q n ASP 96 N -2.85 5.25 0.04 1.15 -0.08 -0.84 -4.77 116.55 114.45 1r8q n ASP 96 Ca 0.04 -3.11 0.04 0.00 -1.51 0.00 0.00 54.79 50.25 1r8q n ASP 96 Cb 0.51 -1.48 0.45 0.00 2.34 0.00 0.00 41.12 42.94 1r8q n ASP 96 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1r8q h ARG 97 N 6.04 0.46 -0.00 -0.67 3.08 -1.82 -2.25 114.38 119.21 1r8q h ARG 97 Ca 0.36 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1r8q h ARG 97 Cb 0.69 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1r8q h ARG 97 CO 1.50 0.32 -0.07 0.93 -1.07 0.00 0.00 179.97 181.58 1r8q h GLU 98 N 0.47 0.00 -0.23 0.04 3.07 -1.98 -3.20 114.58 112.76 1r8q h GLU 98 Ca 0.13 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1r8q h GLU 98 Cb -0.03 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1r8q h GLU 98 CO -0.02 0.07 0.00 0.54 -1.40 0.00 0.00 179.01 178.20 1r8q n ARG 99 N -4.46 2.06 0.10 2.33 1.74 -0.88 -4.65 116.66 112.91 1r8q n ARG 99 Ca -0.03 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.31 1r8q n ARG 99 Cb 0.15 -1.25 0.31 0.00 -1.02 0.00 0.00 32.46 30.65 1r8q n ARG 99 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1r8q h VAL 100 N 2.07 1.24 -0.51 1.55 3.04 -1.48 -0.96 116.25 121.19 1r8q h VAL 100 Ca 0.00 -1.10 -0.06 0.00 -1.01 0.00 0.00 66.70 64.52 1r8q h VAL 100 Cb 0.64 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 31.29 1r8q h VAL 100 CO 0.00 0.34 0.07 -1.13 -1.01 0.00 0.00 177.57 175.84 1r8q h ASN 101 N 0.24 0.83 -0.72 3.17 -1.24 -1.83 0.20 115.58 116.23 1r8q h ASN 101 Ca 0.04 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.77 1r8q h ASN 101 Cb 0.56 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.36 1r8q h ASN 101 CO 0.04 0.89 0.41 -0.08 -1.29 0.00 0.00 177.43 177.39 1r8q h GLU 102 N 0.73 1.01 -0.60 6.67 4.81 -1.75 -0.34 114.58 125.12 1r8q h GLU 102 Ca 0.15 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1r8q h GLU 102 Cb 0.42 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1r8q h GLU 102 CO 0.01 0.74 0.09 0.00 -0.73 0.00 0.00 179.01 179.12 1r8q h ALA 103 N 1.42 0.80 -0.60 2.92 0.00 -0.77 -2.07 119.26 120.97 1r8q h ALA 103 Ca 0.26 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1r8q h ALA 103 Cb 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1r8q h ALA 103 CO -0.04 0.57 0.38 -0.09 0.00 0.00 0.00 179.25 180.06 1r8q h ARG 104 N 0.91 0.74 -0.48 0.00 2.43 -0.38 -0.77 114.38 116.82 1r8q h ARG 104 Ca 0.18 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1r8q h ARG 104 Cb 0.44 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1r8q h ARG 104 CO 0.01 0.49 0.06 0.93 -1.51 0.00 0.00 179.97 179.95 1r8q h GLU 105 N 0.76 0.76 -0.36 0.20 5.08 -0.84 -1.67 114.58 118.51 1r8q h GLU 105 Ca 0.23 -0.17 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 1r8q h GLU 105 Cb -0.02 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1r8q h GLU 105 CO -0.08 0.73 -0.43 1.49 -1.00 0.00 0.00 179.01 179.72 1r8q h GLU 106 N 0.72 0.93 -0.60 2.33 4.57 -1.06 -2.28 114.58 119.20 1r8q h GLU 106 Ca 0.15 -0.52 0.02 0.00 -1.18 0.00 0.00 59.36 57.84 1r8q h GLU 106 Cb 0.35 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1r8q h GLU 106 CO 0.01 1.17 0.38 1.25 -1.18 0.00 0.00 179.01 180.63 1r8q h LEU 107 N 0.74 0.63 -0.68 1.64 5.85 -0.54 -1.63 115.31 121.33 1r8q h LEU 107 Ca 0.05 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 1r8q h LEU 107 Cb 1.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1r8q h LEU 107 CO 0.10 0.45 -0.46 0.24 -0.34 0.00 0.00 178.44 178.43 1r8q h MET 108 N 0.75 0.47 -0.62 1.25 2.86 -1.22 -0.24 114.93 118.19 1r8q h MET 108 Ca 0.23 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1r8q h MET 108 Cb -0.02 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1r8q h MET 108 CO -0.08 0.84 0.30 -0.09 1.06 0.00 0.00 176.91 178.94 1r8q h ARG 109 N 0.38 0.89 -0.44 1.72 2.43 -1.17 -1.48 114.38 116.70 1r8q h ARG 109 Ca 0.02 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1r8q h ARG 109 Cb 0.96 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 1r8q h ARG 109 CO 0.08 0.71 0.12 0.52 -1.51 0.00 0.00 179.97 179.89 1r8q h MET 110 N 0.85 0.71 0.00 0.20 2.86 -0.96 -3.06 114.93 115.53 1r8q h MET 110 Ca 0.21 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1r8q h MET 110 Cb 0.11 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1r8q h MET 110 CO -0.03 0.70 0.00 1.28 1.06 0.00 0.00 176.91 179.92 1r8q n LEU 111 N -4.53 0.29 0.03 1.22 4.77 -0.13 -2.08 117.00 116.58 1r8q n LEU 111 Ca 0.00 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 1r8q n LEU 111 Cb 0.21 -0.56 0.15 0.00 -2.33 0.00 0.00 43.42 40.89 1r8q n LEU 111 CO 0.39 -0.45 0.29 0.00 -1.33 0.00 0.00 177.39 176.28 1r8q n ALA 112 N -1.62 3.29 -1.70 -1.18 0.00 -0.58 -4.77 120.51 113.94 1r8q n ALA 112 Ca 0.02 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 1r8q n ALA 112 Cb 0.16 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1r8q n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1r8q n GLU 113 N -1.85 2.73 -0.31 0.00 -0.58 -0.88 -4.87 120.64 114.87 1r8q n GLU 113 Ca 0.04 0.99 0.01 0.00 -0.42 0.00 0.00 57.16 57.77 1r8q n GLU 113 Cb 0.40 -2.86 0.19 0.00 -0.57 0.00 0.00 31.44 28.61 1r8q n GLU 113 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1r8q h ASP 114 N 7.67 0.99 0.36 1.62 3.58 -1.89 -1.79 116.42 126.96 1r8q h ASP 114 Ca -0.45 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1r8q h ASP 114 Cb 1.22 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1r8q h ASP 114 CO 0.95 0.69 0.00 -0.62 -2.88 0.00 0.00 179.24 177.38 1r8q n GLU 115 N -4.43 0.08 -0.18 0.28 -0.58 -1.26 -2.58 120.64 111.97 1r8q n GLU 115 Ca 0.11 0.23 0.06 0.00 -0.42 0.00 0.00 57.16 57.14 1r8q n GLU 115 Cb 0.08 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 29.60 1r8q n GLU 115 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1r8q n LEU 116 N -1.41 2.93 -0.10 -4.62 4.32 -0.68 -4.63 117.00 112.81 1r8q n LEU 116 Ca 0.04 -2.00 0.03 0.00 -0.02 0.00 0.00 56.01 54.07 1r8q n LEU 116 Cb 0.13 -0.23 0.36 0.00 -1.62 0.00 0.00 43.42 42.05 1r8q n LEU 116 CO 0.11 0.73 1.20 0.08 -1.22 0.00 0.00 177.39 178.29 1r8q h ARG 117 N 2.02 0.72 -0.25 3.23 0.11 -1.52 -0.75 114.38 117.93 1r8q h ARG 117 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1r8q h ARG 117 Cb 0.73 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1r8q h ARG 117 CO 0.00 0.48 0.00 -0.25 0.10 0.00 0.00 179.97 180.30 1r8q n ASP 118 N -4.46 3.16 -4.77 0.08 8.00 -1.26 -4.96 116.55 112.34 1r8q n ASP 118 Ca 0.06 -1.97 -0.40 0.00 0.71 0.00 0.00 54.79 53.20 1r8q n ASP 118 Cb 0.08 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 1r8q n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r8q s ALA 119 N -1.70 3.35 0.35 2.24 0.00 -0.29 -4.95 121.76 120.77 1r8q s ALA 119 Ca 0.35 1.19 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 1r8q s ALA 119 Cb 0.22 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1r8q s ALA 119 CO 0.31 -0.68 1.01 0.08 0.00 0.00 0.00 175.76 176.48 1r8q s VAL 120 N -1.23 3.92 -0.17 0.00 1.01 -0.79 -4.76 120.40 118.39 1r8q s VAL 120 Ca 0.53 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 64.06 1r8q s VAL 120 Cb -0.37 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 1r8q s VAL 120 CO 0.49 0.09 -0.12 -0.22 0.00 0.00 0.00 175.10 175.34 1r8q s LEU 121 N -2.28 2.61 -0.21 3.92 2.96 -0.58 -0.54 118.68 124.57 1r8q s LEU 121 Ca 0.53 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1r8q s LEU 121 Cb -0.21 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 1r8q s LEU 121 CO 0.27 0.06 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.06 1r8q s LEU 122 N 1.00 2.77 -0.22 -0.68 2.96 -0.14 -1.47 118.68 122.91 1r8q s LEU 122 Ca -0.01 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 1r8q s LEU 122 Cb -0.15 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 1r8q s LEU 122 CO -0.02 -0.00 0.19 -0.69 -1.32 0.00 0.00 176.35 174.51 1r8q s VAL 123 N 1.37 5.35 -0.40 1.68 1.01 0.25 -0.72 120.40 128.94 1r8q s VAL 123 Ca 0.05 0.27 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 1r8q s VAL 123 Cb -0.14 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1r8q s VAL 123 CO -0.04 0.36 0.28 -0.36 0.00 0.00 0.00 175.10 175.34 1r8q s PHE 124 N 0.87 3.24 -1.04 5.22 0.08 -0.09 -0.58 117.98 125.67 1r8q s PHE 124 Ca 0.10 -0.58 -0.21 0.00 0.12 0.00 0.00 56.93 56.36 1r8q s PHE 124 Cb -0.13 -2.56 0.08 0.00 -0.57 0.00 0.00 43.02 39.84 1r8q s PHE 124 CO 0.03 -0.56 1.41 0.00 -0.10 0.00 0.00 175.22 176.00 1r8q s ALA 125 N 1.67 3.01 0.60 5.36 0.00 -0.23 -1.19 121.76 130.99 1r8q s ALA 125 Ca 0.05 -2.52 -0.07 0.00 0.00 0.00 0.00 51.96 49.42 1r8q s ALA 125 Cb -0.19 -4.41 0.01 0.00 0.00 0.00 0.00 23.12 18.53 1r8q s ALA 125 CO 0.10 -3.38 0.93 1.21 0.00 0.00 0.00 175.76 174.61 1r8q s ASN 126 N 4.45 5.59 -0.85 0.00 2.47 0.25 -1.36 114.94 125.49 1r8q s ASN 126 Ca 0.44 0.78 -0.03 0.00 0.42 0.00 0.00 52.86 54.46 1r8q s ASN 126 Cb -0.01 -1.76 0.00 0.00 -1.45 0.00 0.00 41.25 38.04 1r8q s ASN 126 CO -0.07 -1.09 0.43 0.29 -3.72 0.00 0.00 177.10 172.95 1r8q n LYS 127 N -2.63 -3.26 0.32 0.43 5.02 -0.84 -0.77 118.16 116.43 1r8q n LYS 127 Ca 0.05 0.51 0.21 0.00 -2.02 0.00 0.00 58.31 57.05 1r8q n LYS 127 Cb 0.57 -4.52 1.03 0.00 -0.02 0.00 0.00 35.03 32.09 1r8q n LYS 127 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1r8q h GLN 128 N -0.99 0.00 0.00 1.97 1.08 -1.60 -2.40 115.11 113.17 1r8q h GLN 128 Ca -0.31 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 1r8q h GLN 128 Cb 1.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1r8q h GLN 128 CO 0.32 0.00 -0.06 0.38 -0.95 0.00 0.00 178.83 178.52 1r8q h ASP 129 N 0.00 0.00 -3.80 1.46 2.03 -1.92 -3.45 116.42 110.74 1r8q h ASP 129 Ca -0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 1r8q h ASP 129 Cb 0.19 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.71 1r8q h ASP 129 CO 0.00 0.06 0.48 -0.76 -1.03 0.00 0.00 179.24 177.98 1r8q s LEU 130 N -6.43 4.55 0.38 0.15 1.43 -0.90 -4.96 118.68 112.89 1r8q s LEU 130 Ca -0.00 2.27 0.06 0.00 -1.03 0.00 0.00 54.13 55.43 1r8q s LEU 130 Cb 0.10 -3.63 0.75 0.00 0.03 0.00 0.00 46.19 43.45 1r8q s LEU 130 CO 0.55 -0.15 1.97 1.55 0.23 0.00 0.00 176.35 180.50 1r8q h PRO 131 N 3.85 0.49 -0.61 1.29 0.13 -1.90 -2.58 132.00 132.67 1r8q h PRO 131 Ca -0.47 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1r8q h PRO 131 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1r8q h PRO 131 CO 0.67 0.44 0.00 -1.71 -0.23 0.00 0.00 178.00 177.17 1r8q n ASN 132 N -4.37 3.47 -4.77 1.44 5.15 -1.26 -4.99 115.26 109.92 1r8q n ASN 132 Ca 0.02 -2.31 -0.40 0.00 -0.60 0.00 0.00 54.58 51.29 1r8q n ASN 132 Cb 0.16 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1r8q n ASN 132 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r8q s ALA 133 N -1.75 3.31 0.12 5.20 0.00 -0.97 -4.77 121.76 122.90 1r8q s ALA 133 Ca 0.36 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.37 1r8q s ALA 133 Cb 0.23 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1r8q s ALA 133 CO 0.17 -0.96 1.25 -1.64 0.00 0.00 0.00 175.76 174.58 1r8q s MET 134 N -2.25 4.42 0.91 0.00 -1.94 0.04 -4.94 119.30 115.54 1r8q s MET 134 Ca 0.57 1.88 -0.12 0.00 -1.71 0.00 0.00 55.69 56.32 1r8q s MET 134 Cb -0.41 -3.28 0.20 0.00 2.01 0.00 0.00 34.83 33.34 1r8q s MET 134 CO 0.53 -0.25 1.25 0.54 -0.01 0.00 0.00 175.02 177.09 1r8q s ASN 135 N 0.75 3.28 0.37 3.03 2.20 -1.26 -4.73 114.94 118.58 1r8q s ASN 135 Ca 0.58 -0.02 0.05 0.00 -0.94 0.00 0.00 52.86 52.53 1r8q s ASN 135 Cb -0.32 -0.04 0.75 0.00 -2.00 0.00 0.00 41.25 39.63 1r8q s ASN 135 CO 0.32 -2.60 2.00 0.00 -2.94 0.00 0.00 177.10 173.88 1r8q h ALA 136 N -1.40 1.67 -0.26 3.54 0.00 -1.96 -0.85 119.26 120.01 1r8q h ALA 136 Ca -0.41 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1r8q h ALA 136 Cb 1.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1r8q h ALA 136 CO 0.34 0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.83 1r8q h ALA 137 N 1.64 0.35 -0.32 0.00 0.00 -1.99 -0.97 119.26 117.96 1r8q h ALA 137 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1r8q h ALA 137 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1r8q h ALA 137 CO -0.07 0.11 0.15 0.93 0.00 0.00 0.00 179.25 180.37 1r8q h GLU 138 N 0.23 0.46 -0.64 0.00 5.08 -1.74 -2.45 114.58 115.52 1r8q h GLU 138 Ca 0.07 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1r8q h GLU 138 Cb 0.46 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1r8q h GLU 138 CO 0.02 0.43 0.41 0.82 -1.00 0.00 0.00 179.01 179.68 1r8q h ILE 139 N 0.38 1.11 -0.92 3.13 1.08 -1.09 -0.68 117.51 120.53 1r8q h ILE 139 Ca 0.11 -0.28 0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1r8q h ILE 139 Cb 0.12 0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 34.03 1r8q h ILE 139 CO -0.01 0.15 0.60 0.74 -0.69 0.00 0.00 178.15 178.93 1r8q h THR 140 N 0.82 1.08 0.14 -0.27 2.02 -0.94 0.22 112.91 115.98 1r8q h THR 140 Ca 0.25 -0.36 -0.31 0.00 0.77 0.00 0.00 66.41 66.76 1r8q h THR 140 Cb -0.03 -0.08 0.03 0.00 -1.74 0.00 0.00 68.15 66.34 1r8q h THR 140 CO -0.08 0.19 -1.29 0.44 0.37 0.00 0.00 175.52 175.15 1r8q h ASP 141 N 1.06 0.86 1.38 4.18 3.32 -0.96 -2.24 116.42 124.02 1r8q h ASP 141 Ca 0.39 -0.82 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1r8q h ASP 141 Cb 0.18 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1r8q h ASP 141 CO -0.15 1.62 -0.03 0.11 -1.72 0.00 0.00 179.24 179.08 1r8q h LYS 142 N 0.25 0.00 0.00 3.56 1.57 -0.47 -2.48 116.57 118.99 1r8q h LYS 142 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1r8q h LYS 142 Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.28 1r8q h LYS 142 CO 0.24 0.03 -0.65 1.28 -0.57 0.00 0.00 179.45 179.78 1r8q n LEU 143 N -3.12 0.59 -1.67 2.94 4.77 0.72 -4.80 117.00 116.44 1r8q n LEU 143 Ca 0.02 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1r8q n LEU 143 Cb 0.41 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1r8q n LEU 143 CO 0.30 0.06 0.07 0.61 -1.33 0.00 0.00 177.39 177.10 1r8q n GLY 144 N 1.43 0.26 0.20 -0.72 0.00 -0.94 -4.90 105.19 100.51 1r8q n GLY 144 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1r8q n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r8q h LEU 145 N -0.94 0.25 -2.23 0.99 3.38 -1.68 -2.54 115.31 112.53 1r8q h LEU 145 Ca -0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1r8q h LEU 145 Cb 1.16 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1r8q h LEU 145 CO 0.24 0.64 -0.02 0.45 0.09 0.00 0.00 178.44 179.84 1r8q h HIS 146 N 0.20 0.00 0.00 1.13 3.86 -1.92 -2.65 115.15 115.77 1r8q h HIS 146 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1r8q h HIS 146 Cb 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1r8q h HIS 146 CO 0.01 0.02 0.00 -1.13 0.86 0.00 0.00 177.93 177.69 1r8q n SER 147 N -3.19 0.43 -4.73 2.45 3.41 -0.96 -4.84 113.62 106.19 1r8q n SER 147 Ca -0.01 0.56 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 1r8q n SER 147 Cb 0.19 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.43 1r8q n SER 147 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1r8q s LEU 148 N -3.87 4.41 0.26 1.04 1.43 -1.00 -5.05 118.68 115.90 1r8q s LEU 148 Ca 0.09 2.32 0.11 0.00 -1.03 0.00 0.00 54.13 55.62 1r8q s LEU 148 Cb 0.13 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 1r8q s LEU 148 CO 0.48 -0.50 -0.20 -0.13 0.23 0.00 0.00 176.35 176.23 1r8q s ARG 149 N 0.11 1.60 -1.47 1.70 1.81 -1.26 -4.76 118.95 116.69 1r8q s ARG 149 Ca 0.57 -1.71 -0.11 0.00 -1.72 0.00 0.00 55.73 52.76 1r8q s ARG 149 Cb -0.35 -1.68 0.06 0.00 -0.45 0.00 0.00 34.95 32.53 1r8q s ARG 149 CO 0.36 0.32 0.83 0.72 -0.68 0.00 0.00 175.30 176.84 1r8q n HIS 150 N -0.46 -2.18 -3.87 -0.53 8.25 -1.26 -4.97 115.22 110.20 1r8q n HIS 150 Ca -0.06 0.75 -0.20 0.00 -0.26 0.00 0.00 57.72 57.95 1r8q n HIS 150 Cb 0.59 -3.92 -0.17 0.00 1.12 0.00 0.00 29.99 27.62 1r8q n HIS 150 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1r8q s ARG 151 N -6.31 0.40 -0.27 -0.41 6.06 -1.26 -4.97 118.95 112.19 1r8q s ARG 151 Ca 0.54 0.11 -0.29 0.00 -2.50 0.00 0.00 55.73 53.59 1r8q s ARG 151 Cb -0.27 -0.67 -0.00 0.00 0.06 0.00 0.00 34.95 34.07 1r8q s ARG 151 CO 0.67 -0.21 1.29 1.21 -2.50 0.00 0.00 175.30 175.76 1r8q s ASN 152 N 1.46 6.74 0.12 -2.12 3.84 -1.26 -5.04 114.94 118.68 1r8q s ASN 152 Ca -0.03 1.32 0.01 0.00 0.21 0.00 0.00 52.86 54.37 1r8q s ASN 152 Cb -0.13 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 37.99 1r8q s ASN 152 CO -0.03 -1.01 -0.02 -1.66 -2.79 0.00 0.00 177.10 171.59 1r8q s TRP 153 N 4.17 0.93 -0.09 0.43 1.48 -1.26 -1.53 118.94 123.08 1r8q s TRP 153 Ca 0.56 -1.01 -0.26 0.00 -1.06 0.00 0.00 56.10 54.33 1r8q s TRP 153 Cb -0.18 -0.55 0.06 0.00 -1.16 0.00 0.00 33.47 31.64 1r8q s TRP 153 CO 0.21 -0.25 0.60 -0.47 -4.06 0.00 0.00 176.95 172.98 1r8q s TYR 154 N -3.73 -0.59 -0.04 1.66 5.04 -0.54 -4.98 117.35 114.17 1r8q s TYR 154 Ca 0.16 1.13 0.06 0.00 -2.44 0.00 0.00 57.07 55.98 1r8q s TYR 154 Cb 0.06 0.31 -0.01 0.00 0.35 0.00 0.00 41.96 42.67 1r8q s TYR 154 CO -0.02 -0.50 -0.22 -1.50 -1.34 0.00 0.00 175.55 171.97 1r8q s ILE 155 N -0.82 1.80 -0.10 3.14 2.07 -1.26 -0.58 121.20 125.45 1r8q s ILE 155 Ca -0.09 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.22 1r8q s ILE 155 Cb -0.02 -1.52 0.02 0.00 0.13 0.00 0.00 42.46 41.07 1r8q s ILE 155 CO 0.07 0.51 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.94 1r8q s GLN 156 N -0.20 1.55 0.20 3.50 2.00 0.25 -4.97 119.66 121.99 1r8q s GLN 156 Ca -0.00 -0.29 -0.30 0.00 -2.00 0.00 0.00 55.36 52.77 1r8q s GLN 156 Cb -0.12 -1.52 -0.09 0.00 0.80 0.00 0.00 33.01 32.08 1r8q s GLN 156 CO 0.02 -0.19 1.37 0.00 -0.50 0.00 0.00 175.29 175.99 1r8q s ALA 157 N 1.44 3.58 0.12 1.58 0.00 -1.26 -1.07 121.76 126.15 1r8q s ALA 157 Ca -0.00 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.16 1r8q s ALA 157 Cb -0.13 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1r8q s ALA 157 CO -0.05 -0.62 -0.02 0.95 0.00 0.00 0.00 175.76 176.02 1r8q s THR 158 N 0.24 0.56 -0.23 0.00 -4.23 -0.46 -4.34 115.64 107.18 1r8q s THR 158 Ca 0.59 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1r8q s THR 158 Cb -0.38 -1.87 0.07 0.00 1.34 0.00 0.00 72.50 71.66 1r8q s THR 158 CO 0.38 -0.69 0.03 0.00 -0.54 0.00 0.00 174.62 173.80 1r8q h ALA 160 N 8.13 0.87 0.00 0.00 0.00 -1.91 0.42 119.26 126.77 1r8q h ALA 160 Ca -0.16 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1r8q h ALA 160 Cb 1.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1r8q h ALA 160 CO 0.39 0.54 -0.51 1.79 0.00 0.00 0.00 179.25 181.46 1r8q h THR 161 N 0.00 1.30 0.00 0.00 1.35 -1.95 -3.04 112.91 110.56 1r8q h THR 161 Ca -0.00 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 1r8q h THR 161 Cb 1.07 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1r8q h THR 161 CO 0.06 0.50 -1.15 -1.54 -0.25 0.00 0.00 175.52 173.14 1r8q n SER 162 N -3.83 0.72 0.00 5.36 3.41 -1.13 -4.99 113.62 113.16 1r8q n SER 162 Ca -0.01 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1r8q n SER 162 Cb 0.54 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 1r8q n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r8q n GLY 163 N 1.20 1.52 3.69 5.00 0.00 0.07 -5.03 105.19 111.63 1r8q n GLY 163 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1r8q n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r8q n ASP 164 N 0.00 3.22 0.00 1.61 9.92 -0.78 -2.07 116.55 128.45 1r8q n ASP 164 Ca 0.00 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.36 1r8q n ASP 164 Cb 0.00 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.01 1r8q n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r8q n GLY 165 N 3.00 2.92 0.30 0.44 0.00 -1.26 -1.40 105.19 109.19 1r8q n GLY 165 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1r8q n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r8q h LEU 166 N 0.00 1.01 -0.61 0.99 3.38 -1.72 -2.25 115.31 116.12 1r8q h LEU 166 Ca 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1r8q h LEU 166 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1r8q h LEU 166 CO 0.00 1.05 0.30 0.22 0.09 0.00 0.00 178.44 180.10 1r8q h TYR 167 N 0.94 0.87 -0.22 1.13 3.20 -1.91 -1.19 116.97 119.80 1r8q h TYR 167 Ca 0.18 -0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.86 1r8q h TYR 167 Cb 0.50 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1r8q h TYR 167 CO 0.04 0.65 -0.47 0.93 -1.64 0.00 0.00 178.16 177.66 1r8q h GLU 168 N 0.83 0.57 -0.28 1.82 3.07 -1.92 0.49 114.58 119.16 1r8q h GLU 168 Ca 0.21 -0.32 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 1r8q h GLU 168 Cb 0.10 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1r8q h GLU 168 CO -0.03 0.92 -0.06 0.78 -1.40 0.00 0.00 179.01 179.22 1r8q h GLY 169 N 1.05 0.58 1.80 -3.84 0.00 -1.19 -2.14 103.07 99.33 1r8q h GLY 169 Ca 0.03 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 1r8q h GLY 169 CO 0.09 0.43 -0.40 1.41 0.00 0.00 0.00 176.54 178.07 1r8q h LEU 170 N 0.29 0.24 -0.18 3.11 3.38 -1.01 -1.36 115.31 119.78 1r8q h LEU 170 Ca 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1r8q h LEU 170 Cb 0.54 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1r8q h LEU 170 CO 0.03 0.62 0.04 -0.78 0.09 0.00 0.00 178.44 178.44 1r8q h ASP 171 N 0.19 0.28 -0.60 -0.43 3.58 -0.75 0.13 116.42 118.83 1r8q h ASP 171 Ca 0.02 -0.24 0.04 0.00 0.42 0.00 0.00 57.03 57.27 1r8q h ASP 171 Cb 0.80 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 1r8q h ASP 171 CO 0.06 0.45 0.34 -0.25 -2.88 0.00 0.00 179.24 176.97 1r8q h TRP 172 N 0.10 0.63 -0.39 0.28 7.01 -1.07 -2.52 115.95 119.99 1r8q h TRP 172 Ca 0.06 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1r8q h TRP 172 Cb 0.28 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 1r8q h TRP 172 CO 0.01 0.33 0.20 1.25 -2.79 0.00 0.00 178.44 177.45 1r8q h LEU 173 N 0.66 0.51 -1.48 0.65 5.85 -0.86 -2.26 115.31 118.38 1r8q h LEU 173 Ca 0.25 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.99 1r8q h LEU 173 Cb 0.09 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1r8q h LEU 173 CO -0.14 0.48 0.51 -1.28 -0.34 0.00 0.00 178.44 177.67 1r8q h SER 174 N 0.50 0.49 0.50 1.25 0.87 -0.54 -1.64 113.55 114.98 1r8q h SER 174 Ca 0.14 0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.54 1r8q h SER 174 Cb 0.10 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1r8q h SER 174 CO -0.02 0.27 -0.80 0.78 -0.53 0.00 0.00 176.83 176.52 1r8q h ASN 175 N 0.53 0.28 -0.24 6.23 2.35 -0.99 -2.93 115.58 120.81 1r8q h ASN 175 Ca 0.38 -0.21 -0.16 0.00 -0.55 0.00 0.00 56.30 55.76 1r8q h ASN 175 Cb 0.72 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 1r8q h ASN 175 CO -0.14 0.97 -0.46 1.56 -1.65 0.00 0.00 177.43 177.71 1r8q h GLN 176 N 0.14 0.81 0.00 0.81 1.08 -0.77 -3.25 115.11 113.93 1r8q h GLN 176 Ca -0.03 -0.46 -0.18 0.00 -1.45 0.00 0.00 58.65 56.53 1r8q h GLN 176 Cb 1.40 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.84 1r8q h GLN 176 CO 0.12 1.09 -0.83 -0.07 -0.95 0.00 0.00 178.83 178.20 1r8q h LEU 177 N 0.64 0.07 -1.62 1.46 4.07 -1.47 -2.86 115.31 115.60 1r8q h LEU 177 Ca 0.04 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 1r8q h LEU 177 Cb 1.04 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1r8q h LEU 177 CO 0.10 0.86 -0.20 0.08 -1.08 0.00 0.00 178.44 178.20 1r8q h ARG 178 N 0.03 0.00 0.19 1.13 0.11 -1.55 -3.22 114.38 111.07 1r8q h ARG 178 Ca -0.02 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.77 1r8q h ARG 178 Cb 1.45 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.55 1r8q h ARG 178 CO 0.11 0.20 -1.38 -0.91 0.10 0.00 0.00 179.97 178.10 1r8q h ASN 179 N 0.00 0.61 0.00 0.08 -0.26 -1.58 -3.50 115.58 110.93 1r8q h ASN 179 Ca -0.00 -0.92 0.00 0.00 -0.56 0.00 0.00 56.30 54.82 1r8q h ASN 179 Cb 0.47 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1r8q h ASN 179 CO 0.03 1.64 0.00 1.67 -1.06 0.00 0.00 177.43 179.70