#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8u s THR 12 N 0.00 4.21 -0.07 5.15 -4.23 0.24 -4.91 115.64 116.03 1v8u s THR 12 Ca 0.00 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.12 1v8u s THR 12 Cb 0.00 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1v8u s THR 12 CO 0.00 0.55 0.30 -0.31 -0.54 0.00 0.00 174.62 174.62 1v8u s TYR 13 N -0.35 3.63 -0.29 3.99 1.51 -1.26 0.78 117.35 125.35 1v8u s TYR 13 Ca 0.07 0.76 0.13 0.00 -1.01 0.00 0.00 57.07 57.01 1v8u s TYR 13 Cb -0.12 -2.20 -0.17 0.00 -0.11 0.00 0.00 41.96 39.36 1v8u s TYR 13 CO 0.02 0.57 0.40 1.28 -1.11 0.00 0.00 175.55 176.71 1v8u n LEU 14 N 2.30 0.28 -3.64 -1.29 4.32 0.10 -4.96 117.00 114.10 1v8u n LEU 14 Ca -0.15 -0.24 -0.06 0.00 -0.02 0.00 0.00 56.01 55.54 1v8u n LEU 14 Cb 0.53 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.26 1v8u n LEU 14 CO 0.36 0.07 0.56 -0.47 -1.22 0.00 0.00 177.39 176.70 1v8u s TYR 15 N -2.54 -0.73 -0.28 -1.77 5.04 -0.92 -4.95 117.35 111.20 1v8u s TYR 15 Ca -0.00 1.52 0.03 0.00 -2.44 0.00 0.00 57.07 56.18 1v8u s TYR 15 Cb 0.09 0.43 0.07 0.00 0.35 0.00 0.00 41.96 42.90 1v8u s TYR 15 CO 0.52 -0.36 -0.05 1.03 -1.34 0.00 0.00 175.55 175.35 1v8u s ARG 16 N 1.13 1.92 0.00 4.97 0.52 -1.26 -0.01 118.95 126.21 1v8u s ARG 16 Ca -0.06 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 53.68 1v8u s ARG 16 Cb -0.04 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1v8u s ARG 16 CO -0.13 -0.69 0.00 0.41 0.02 0.00 0.00 175.30 174.90 1v8u n GLY 17 N 4.41 4.61 0.07 -3.53 0.00 0.41 -5.01 105.19 106.15 1v8u n GLY 17 Ca -0.08 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 1v8u n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1v8u h ARG 18 N 0.00 -0.01 -0.22 1.61 3.08 -2.01 -3.39 114.38 113.44 1v8u h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1v8u h ARG 18 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1v8u h ARG 18 CO 0.00 0.61 0.00 0.44 -1.07 0.00 0.00 179.97 179.95 1v8u n ILE 19 N -4.68 0.63 -3.50 2.04 -5.35 -1.26 -5.03 119.36 102.20 1v8u n ILE 19 Ca -0.06 -0.81 -0.12 0.00 -0.27 0.00 0.00 62.75 61.48 1v8u n ILE 19 Cb 0.30 0.77 -0.04 0.00 -1.74 0.00 0.00 39.64 38.93 1v8u n ILE 19 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1v8u s LEU 20 N -0.97 -0.49 0.04 7.28 0.05 -1.26 -4.19 118.68 119.14 1v8u s LEU 20 Ca 0.19 0.26 0.07 0.00 0.05 0.00 0.00 54.13 54.70 1v8u s LEU 20 Cb 0.11 2.27 -0.03 0.00 -2.05 0.00 0.00 46.19 46.50 1v8u s LEU 20 CO 0.15 -0.66 -0.20 0.20 -0.55 0.00 0.00 176.35 175.29 1v8u s ASN 21 N -1.97 2.44 -0.23 1.48 0.01 -0.55 -0.44 114.94 115.68 1v8u s ASN 21 Ca -0.01 -0.52 -0.03 0.00 -0.71 0.00 0.00 52.86 51.58 1v8u s ASN 21 Cb -0.01 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.46 1v8u s ASN 21 CO -0.03 0.15 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.44 1v8u s LEU 22 N -1.19 2.99 0.26 0.60 2.96 0.99 -0.59 118.68 124.70 1v8u s LEU 22 Ca 0.07 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1v8u s LEU 22 Cb -0.09 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.84 1v8u s LEU 22 CO 0.02 -0.06 -0.04 0.00 -1.32 0.00 0.00 176.35 174.94 1v8u s ALA 23 N 1.42 2.18 -0.09 5.97 0.00 0.51 0.01 121.76 131.75 1v8u s ALA 23 Ca 0.04 -1.86 0.03 0.00 0.00 0.00 0.00 51.96 50.17 1v8u s ALA 23 Cb -0.15 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1v8u s ALA 23 CO -0.04 -0.12 -0.18 -0.51 0.00 0.00 0.00 175.76 174.91 1v8u s LEU 24 N -3.40 1.85 -0.67 0.00 1.43 0.23 -0.71 118.68 117.42 1v8u s LEU 24 Ca 0.29 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1v8u s LEU 24 Cb 0.04 -1.14 0.19 0.00 0.03 0.00 0.00 46.19 45.32 1v8u s LEU 24 CO 0.11 0.08 0.54 1.21 0.23 0.00 0.00 176.35 178.52 1v8u n GLU 25 N 3.80 1.88 0.00 1.70 2.13 -0.11 -0.59 120.64 129.45 1v8u n GLU 25 Ca -0.20 -4.44 0.00 0.00 0.66 0.00 0.00 57.16 53.18 1v8u n GLU 25 Cb 0.52 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.00 1v8u n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1v8u n GLY 26 N 1.75 1.53 0.01 8.31 0.00 -1.26 -3.01 105.19 112.52 1v8u n GLY 26 Ca 0.23 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.75 1v8u n GLY 26 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1v8u n ARG 27 N 2.93 0.52 -2.11 1.61 1.85 -1.26 -4.95 116.66 115.25 1v8u n ARG 27 Ca 0.00 -0.14 -0.42 0.00 -1.00 0.00 0.00 57.85 56.29 1v8u n ARG 27 Cb 0.00 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 29.89 1v8u n ARG 27 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1v8u s TYR 28 N -3.31 2.82 -0.32 2.89 2.02 -1.16 -4.99 117.35 115.30 1v8u s TYR 28 Ca -0.03 0.69 -0.17 0.00 -0.37 0.00 0.00 57.07 57.19 1v8u s TYR 28 Cb 0.14 -3.77 -0.02 0.00 -0.40 0.00 0.00 41.96 37.92 1v8u s TYR 28 CO 0.87 -2.90 0.48 -1.21 -1.57 0.00 0.00 175.55 171.22 1v8u s GLU 29 N 2.12 3.79 -0.12 -0.62 2.02 -1.26 -0.93 118.70 123.70 1v8u s GLU 29 Ca 0.67 -0.03 0.03 0.00 0.02 0.00 0.00 54.97 55.66 1v8u s GLU 29 Cb -0.36 -3.75 0.01 0.00 0.10 0.00 0.00 34.13 30.13 1v8u s GLU 29 CO 0.29 -0.51 -0.21 0.42 0.02 0.00 0.00 175.26 175.27 1v8u s ILE 30 N 2.30 1.93 -0.40 -1.63 1.01 0.11 -4.73 121.20 119.79 1v8u s ILE 30 Ca 0.18 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 1v8u s ILE 30 Cb -0.16 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.66 1v8u s ILE 30 CO 0.12 0.53 0.26 -0.69 0.00 0.00 0.00 174.94 175.15 1v8u s VAL 31 N 0.66 4.77 0.15 2.92 1.01 0.24 -0.37 120.40 129.79 1v8u s VAL 31 Ca -0.12 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1v8u s VAL 31 Cb -0.16 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 1v8u s VAL 31 CO 0.02 -0.33 1.03 -1.61 0.00 0.00 0.00 175.10 174.21 1v8u s GLU 32 N 1.58 4.66 -0.05 2.72 2.02 0.24 -3.03 118.70 126.84 1v8u s GLU 32 Ca 0.03 1.58 -0.07 0.00 0.02 0.00 0.00 54.97 56.53 1v8u s GLU 32 Cb -0.20 -3.32 0.01 0.00 0.10 0.00 0.00 34.13 30.72 1v8u s GLU 32 CO 0.07 0.17 0.18 -1.58 0.02 0.00 0.00 175.26 174.12 1v8u s HIS 33 N -0.21 -0.15 0.68 1.61 2.46 -1.26 -1.48 115.29 116.94 1v8u s HIS 33 Ca 0.48 0.35 -0.17 0.00 0.47 0.00 0.00 55.06 56.19 1v8u s HIS 33 Cb -0.26 0.04 0.01 0.00 -0.13 0.00 0.00 32.58 32.24 1v8u s HIS 33 CO 0.32 -0.15 1.25 0.15 -2.47 0.00 0.00 174.74 173.84 1v8u s LYS 34 N -0.29 2.37 0.77 2.88 1.02 -1.26 -4.27 119.74 120.97 1v8u s LYS 34 Ca -0.04 1.92 -0.11 0.00 0.02 0.00 0.00 55.97 57.76 1v8u s LYS 34 Cb -0.03 -1.84 0.05 0.00 -0.52 0.00 0.00 37.83 35.49 1v8u s LYS 34 CO 0.01 -1.70 1.08 -1.25 -0.92 0.00 0.00 175.35 172.57 1v8u s PRO 35 N -3.61 2.31 0.31 -1.68 0.04 -1.26 -4.55 135.00 126.56 1v8u s PRO 35 Ca 0.79 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.83 1v8u s PRO 35 Cb -0.33 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1v8u s PRO 35 CO 0.42 -1.55 0.10 0.00 0.04 0.00 0.00 177.00 176.01 1v8u s ALA 36 N -2.99 2.15 0.12 8.56 0.00 0.94 -1.80 121.76 128.74 1v8u s ALA 36 Ca 0.60 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1v8u s ALA 36 Cb -0.16 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1v8u s ALA 36 CO 0.56 -0.41 -0.09 0.14 0.00 0.00 0.00 175.76 175.96 1v8u s VAL 37 N -3.51 0.93 -0.05 0.00 -7.23 -0.16 -0.58 120.40 109.80 1v8u s VAL 37 Ca 0.35 -1.90 -0.10 0.00 -1.81 0.00 0.00 61.98 58.52 1v8u s VAL 37 Cb 0.07 -1.65 0.02 0.00 0.56 0.00 0.00 36.38 35.37 1v8u s VAL 37 CO 0.15 -0.74 0.24 0.00 -0.31 0.00 0.00 175.10 174.43 1v8u s ALA 38 N -3.20 -0.58 -0.15 1.32 0.00 -0.52 -1.94 121.76 116.69 1v8u s ALA 38 Ca 0.12 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1v8u s ALA 38 Cb 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1v8u s ALA 38 CO -0.02 -0.17 -0.16 0.08 0.00 0.00 0.00 175.76 175.50 1v8u s VAL 39 N -0.56 1.70 -0.19 0.00 1.01 0.35 -0.86 120.40 121.85 1v8u s VAL 39 Ca -0.07 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 1v8u s VAL 39 Cb -0.04 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1v8u s VAL 39 CO 0.01 0.48 0.45 -0.63 0.00 0.00 0.00 175.10 175.41 1v8u s ILE 40 N 1.40 5.17 -0.03 2.22 1.01 0.70 -4.01 121.20 127.67 1v8u s ILE 40 Ca 0.04 0.82 -0.00 0.00 0.00 0.00 0.00 60.65 61.51 1v8u s ILE 40 Cb -0.13 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.60 1v8u s ILE 40 CO -0.11 0.24 0.04 0.00 0.00 0.00 0.00 174.94 175.12 1v8u s ALA 41 N 1.29 0.05 0.02 9.38 0.00 -1.26 -0.16 121.76 131.07 1v8u s ALA 41 Ca 0.22 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.60 1v8u s ALA 41 Cb -0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1v8u s ALA 41 CO 0.09 -0.13 -0.24 -1.17 0.00 0.00 0.00 175.76 174.30 1v8u s LEU 42 N 1.14 2.24 -0.20 0.00 2.96 -1.26 -1.31 118.68 122.25 1v8u s LEU 42 Ca -0.08 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 1v8u s LEU 42 Cb -0.13 -1.36 0.09 0.00 0.50 0.00 0.00 46.19 45.29 1v8u s LEU 42 CO -0.03 0.29 0.45 -0.60 -1.32 0.00 0.00 176.35 175.13 1v8u s ARG 43 N -1.02 0.38 -1.48 1.98 3.52 -0.01 -4.90 118.95 117.42 1v8u s ARG 43 Ca 0.12 1.02 -0.12 0.00 -0.13 0.00 0.00 55.73 56.62 1v8u s ARG 43 Cb -0.10 0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.65 1v8u s ARG 43 CO 0.01 -0.22 0.77 0.39 -0.81 0.00 0.00 175.30 175.45 1v8u n GLU 44 N 5.05 -4.57 -0.65 5.12 1.02 -1.26 -0.84 120.64 124.52 1v8u n GLU 44 Ca -0.13 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1v8u n GLU 44 Cb 0.51 -5.39 0.00 0.00 -0.02 0.00 0.00 31.44 26.54 1v8u n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8u n GLY 45 N -1.48 1.63 3.82 0.62 0.00 -1.26 -5.02 105.19 103.50 1v8u n GLY 45 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1v8u n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v8u s ARG 46 N -0.03 3.22 0.04 1.61 3.00 -0.02 -4.29 118.95 122.48 1v8u s ARG 46 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 55.73 55.34 1v8u s ARG 46 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 34.95 31.94 1v8u s ARG 46 CO 0.00 0.68 0.21 1.41 0.00 0.00 0.00 175.30 177.60 1v8u s MET 47 N -1.59 3.45 -0.73 3.54 -2.45 0.63 -0.83 119.30 121.33 1v8u s MET 47 Ca 0.22 -0.37 -0.23 0.00 -1.25 0.00 0.00 55.69 54.05 1v8u s MET 47 Cb -0.12 -3.06 0.07 0.00 1.25 0.00 0.00 34.83 32.97 1v8u s MET 47 CO 0.12 0.63 1.06 -1.17 1.05 0.00 0.00 175.02 176.72 1v8u s LEU 48 N -2.29 4.21 0.30 4.11 0.20 -0.43 -1.35 118.68 123.44 1v8u s LEU 48 Ca 0.32 -1.05 0.07 0.00 0.69 0.00 0.00 54.13 54.16 1v8u s LEU 48 Cb -0.13 -2.45 -0.02 0.00 -0.43 0.00 0.00 46.19 43.16 1v8u s LEU 48 CO 0.24 -1.47 0.34 -0.36 -0.29 0.00 0.00 176.35 174.81 1v8u s PHE 49 N 4.23 3.10 0.02 5.38 0.40 0.02 -4.23 117.98 126.90 1v8u s PHE 49 Ca 0.27 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.40 1v8u s PHE 49 Cb -0.13 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 1v8u s PHE 49 CO 0.07 0.24 -0.01 0.14 0.70 0.00 0.00 175.22 176.36 1v8u s VAL 50 N -2.17 0.12 0.04 -0.44 -7.23 0.09 0.15 120.40 110.96 1v8u s VAL 50 Ca 0.39 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.56 1v8u s VAL 50 Cb -0.08 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1v8u s VAL 50 CO 0.28 -0.56 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.29 1v8u s ARG 51 N -1.85 0.55 0.02 4.82 0.52 -0.16 -1.75 118.95 121.11 1v8u s ARG 51 Ca -0.12 -0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 54.11 1v8u s ARG 51 Cb -0.07 -0.38 0.07 0.00 0.52 0.00 0.00 34.95 35.10 1v8u s ARG 51 CO -0.02 0.08 0.67 1.14 0.02 0.00 0.00 175.30 177.18 1v8u s GLN 52 N -1.38 1.11 0.19 3.54 -2.07 -1.26 -0.16 119.66 119.63 1v8u s GLN 52 Ca -0.07 0.01 -0.32 0.00 -1.82 0.00 0.00 55.36 53.15 1v8u s GLN 52 Cb -0.09 0.52 -0.12 0.00 -1.09 0.00 0.00 33.01 32.23 1v8u s GLN 52 CO 0.01 -0.40 1.74 -1.64 -1.32 0.00 0.00 175.29 173.68 1v8u s MET 53 N -2.07 4.13 -0.46 9.60 -1.94 -1.26 -4.40 119.30 122.90 1v8u s MET 53 Ca -0.06 2.61 0.03 0.00 -1.71 0.00 0.00 55.69 56.56 1v8u s MET 53 Cb -0.00 -3.17 0.12 0.00 2.01 0.00 0.00 34.83 33.79 1v8u s MET 53 CO 0.02 -0.77 0.21 1.03 -0.01 0.00 0.00 175.02 175.50 1v8u s ARG 54 N 1.48 1.72 0.44 2.03 1.81 -1.16 -4.98 118.95 120.28 1v8u s ARG 54 Ca 0.76 -2.32 0.22 0.00 -1.72 0.00 0.00 55.73 52.67 1v8u s ARG 54 Cb -0.49 -3.09 1.20 0.00 -0.45 0.00 0.00 34.95 32.12 1v8u s ARG 54 CO 0.33 -1.08 1.81 -1.35 -0.68 0.00 0.00 175.30 174.32 1v8u h PRO 55 N 6.81 0.30 -0.12 3.54 0.11 -1.92 0.15 132.00 140.86 1v8u h PRO 55 Ca -0.06 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1v8u h PRO 55 Cb 0.93 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1v8u h PRO 55 CO 0.62 0.20 -0.02 0.00 -0.21 0.00 0.00 178.00 178.58 1v8u h ALA 56 N 1.58 1.75 0.00 -0.75 0.00 -1.94 -3.13 119.26 116.76 1v8u h ALA 56 Ca 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1v8u h ALA 56 Cb 1.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1v8u h ALA 56 CO -0.20 0.19 -0.77 1.33 0.00 0.00 0.00 179.25 179.80 1v8u n VAL 57 N -4.41 0.00 -1.14 0.00 0.24 -0.23 -5.02 118.33 107.77 1v8u n VAL 57 Ca -0.01 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 1v8u n VAL 57 Cb 0.16 0.76 -0.02 0.00 -1.47 0.00 0.00 33.84 33.27 1v8u n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v8u n GLY 58 N 1.46 0.75 3.83 7.63 0.00 0.35 -4.99 105.19 114.22 1v8u n GLY 58 Ca 0.01 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 1v8u n GLY 58 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v8u s LEU 59 N -1.08 -0.15 -0.57 0.99 0.05 -1.24 -4.99 118.68 111.70 1v8u s LEU 59 Ca 0.00 -0.77 -0.08 0.00 0.05 0.00 0.00 54.13 53.34 1v8u s LEU 59 Cb 0.00 2.66 0.15 0.00 -2.05 0.00 0.00 46.19 46.95 1v8u s LEU 59 CO 0.00 -1.39 0.43 0.00 -0.55 0.00 0.00 176.35 174.84 1v8u s ALA 60 N -3.21 3.54 0.76 1.48 0.00 -1.26 -2.99 121.76 120.08 1v8u s ALA 60 Ca 0.13 -2.87 -0.11 0.00 0.00 0.00 0.00 51.96 49.11 1v8u s ALA 60 Cb -0.05 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1v8u s ALA 60 CO 0.08 -2.01 1.08 -1.25 0.00 0.00 0.00 175.76 173.66 1v8u s PRO 61 N 0.75 2.41 -0.24 0.00 0.04 -1.26 -4.77 135.00 131.94 1v8u s PRO 61 Ca 0.11 0.72 -0.26 0.00 0.04 0.00 0.00 61.00 61.61 1v8u s PRO 61 Cb -0.22 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1v8u s PRO 61 CO -0.03 -1.41 0.90 -1.17 0.04 0.00 0.00 177.00 175.33 1v8u s LEU 62 N -5.67 4.09 0.00 -3.56 2.96 0.11 -4.54 118.68 112.07 1v8u s LEU 62 Ca 0.60 1.16 0.02 0.00 -0.22 0.00 0.00 54.13 55.69 1v8u s LEU 62 Cb -0.14 -3.31 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 1v8u s LEU 62 CO 0.54 -0.57 0.07 -0.62 -1.32 0.00 0.00 176.35 174.45 1v8u n GLU 63 N 6.11 0.83 -4.44 1.98 1.02 -0.71 -2.07 120.64 123.34 1v8u n GLU 63 Ca 0.08 -2.47 -0.22 0.00 -0.02 0.00 0.00 57.16 54.53 1v8u n GLU 63 Cb 0.47 1.12 -0.10 0.00 -0.02 0.00 0.00 31.44 32.91 1v8u n GLU 63 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1v8u s ILE 64 N -2.52 2.07 -0.11 -3.67 -4.36 -1.26 -0.73 121.20 110.62 1v8u s ILE 64 Ca 0.10 -2.26 -0.39 0.00 -0.26 0.00 0.00 60.65 57.84 1v8u s ILE 64 Cb 0.00 -2.33 -0.17 0.00 1.25 0.00 0.00 42.46 41.21 1v8u s ILE 64 CO 0.07 -0.39 1.50 -2.65 0.24 0.00 0.00 174.94 173.71 1v8u n PRO 65 N -0.59 0.99 -3.77 0.37 -0.02 -1.26 -4.75 135.00 125.98 1v8u n PRO 65 Ca -0.06 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 1v8u n PRO 65 Cb 0.61 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 1v8u n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v8u s ALA 66 N 1.87 -0.96 0.00 3.55 0.00 -1.26 -0.49 121.76 124.47 1v8u s ALA 66 Ca 0.92 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1v8u s ALA 66 Cb -1.06 0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1v8u s ALA 66 CO 0.58 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1v8u n GLY 67 N -0.37 -0.63 3.86 0.00 0.00 -0.82 -4.97 105.19 102.26 1v8u n GLY 67 Ca -0.08 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 1v8u n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8u s LEU 68 N 0.00 3.70 -0.20 0.99 1.43 -1.26 -0.99 118.68 122.34 1v8u s LEU 68 Ca 0.00 1.39 -0.18 0.00 -1.03 0.00 0.00 54.13 54.30 1v8u s LEU 68 Cb 0.00 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 1v8u s LEU 68 CO 0.00 -0.52 0.51 -0.63 0.23 0.00 0.00 176.35 175.94 1v8u s ILE 69 N -2.54 5.11 0.46 -0.59 1.01 -0.74 -4.85 121.20 119.06 1v8u s ILE 69 Ca 0.56 0.94 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1v8u s ILE 69 Cb -0.10 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1v8u s ILE 69 CO 0.32 0.19 0.68 -1.61 0.00 0.00 0.00 174.94 174.52 1v8u s GLU 70 N 1.59 3.01 0.15 2.79 0.41 -1.26 -4.75 118.70 120.64 1v8u s GLU 70 Ca 0.24 -0.52 -0.34 0.00 -0.41 0.00 0.00 54.97 53.94 1v8u s GLU 70 Cb -0.15 -2.55 -0.16 0.00 -1.78 0.00 0.00 34.13 29.49 1v8u s GLU 70 CO 0.10 -0.32 1.25 -2.30 -0.49 0.00 0.00 175.26 173.50 1v8u n PRO 71 N -2.11 1.26 0.00 0.39 -0.02 -1.26 -1.15 135.00 132.11 1v8u n PRO 71 Ca 0.02 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1v8u n PRO 71 Cb 0.58 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1v8u n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1v8u n GLY 72 N 2.22 2.99 3.85 -1.23 0.00 -1.26 -5.02 105.19 106.74 1v8u n GLY 72 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1v8u n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v8u s GLU 73 N -0.40 3.97 0.42 1.61 2.02 -0.30 -5.10 118.70 120.93 1v8u s GLU 73 Ca 0.00 0.50 0.08 0.00 0.02 0.00 0.00 54.97 55.57 1v8u s GLU 73 Cb 0.00 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 1v8u s GLU 73 CO 0.00 0.40 0.40 0.16 0.02 0.00 0.00 175.26 176.24 1v8u s ASP 74 N -1.90 5.09 0.21 -0.19 3.84 -1.26 -4.76 116.67 117.69 1v8u s ASP 74 Ca 0.42 -0.73 -0.10 0.00 -0.00 0.00 0.00 52.55 52.13 1v8u s ASP 74 Cb -0.14 -0.55 0.28 0.00 -1.38 0.00 0.00 42.92 41.13 1v8u s ASP 74 CO 0.20 -0.68 1.70 -0.65 -0.00 0.00 0.00 175.17 175.74 1v8u h PRO 75 N 0.99 0.22 -0.79 2.11 0.11 -1.99 -1.47 132.00 131.18 1v8u h PRO 75 Ca -0.41 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1v8u h PRO 75 Cb 1.27 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1v8u h PRO 75 CO 0.56 0.14 0.51 1.25 -0.21 0.00 0.00 178.00 180.26 1v8u h LEU 76 N 0.22 0.91 -0.45 2.35 5.85 -1.98 -0.36 115.31 121.85 1v8u h LEU 76 Ca 0.31 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 1v8u h LEU 76 Cb 0.46 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1v8u h LEU 76 CO -0.42 0.67 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.78 1v8u h GLU 77 N 1.07 0.97 -0.68 1.25 5.08 -1.87 -2.34 114.58 118.06 1v8u h GLU 77 Ca 0.29 -0.43 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1v8u h GLU 77 Cb -0.11 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1v8u h GLU 77 CO -0.06 1.10 0.17 0.00 -1.00 0.00 0.00 179.01 179.21 1v8u h ALA 78 N 0.84 1.01 -0.61 3.43 0.00 -0.96 -1.68 119.26 121.30 1v8u h ALA 78 Ca 0.10 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1v8u h ALA 78 Cb 0.82 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1v8u h ALA 78 CO 0.07 0.64 0.40 0.00 0.00 0.00 0.00 179.25 180.36 1v8u h ALA 79 N 1.15 0.78 0.00 0.00 0.00 -0.89 0.27 119.26 120.57 1v8u h ALA 79 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1v8u h ALA 79 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1v8u h ALA 79 CO 0.00 0.18 -0.00 -0.09 0.00 0.00 0.00 179.25 179.34 1v8u h ARG 80 N 0.80 -0.01 -0.29 0.00 2.43 -1.08 -1.86 114.38 114.38 1v8u h ARG 80 Ca 0.23 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1v8u h ARG 80 Cb -0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1v8u h ARG 80 CO -0.06 0.00 0.17 -0.09 -1.51 0.00 0.00 179.97 178.48 1v8u h ARG 81 N -0.01 0.39 -0.91 0.20 2.43 -0.92 -1.66 114.38 113.90 1v8u h ARG 81 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1v8u h ARG 81 Cb 0.01 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1v8u h ARG 81 CO 0.00 0.30 0.54 1.96 -1.51 0.00 0.00 179.97 181.26 1v8u h GLN 82 N 0.37 1.24 -0.33 0.20 1.08 -0.87 0.20 115.11 116.99 1v8u h GLN 82 Ca 0.10 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1v8u h GLN 82 Cb 0.01 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 1v8u h GLN 82 CO -0.02 0.87 0.06 1.25 -0.95 0.00 0.00 178.83 180.04 1v8u h LEU 83 N 1.26 0.51 -0.27 1.46 5.85 -1.08 -1.17 115.31 121.87 1v8u h LEU 83 Ca 0.33 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1v8u h LEU 83 Cb -0.05 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1v8u h LEU 83 CO -0.06 0.63 -0.18 0.00 -0.34 0.00 0.00 178.44 178.49 1v8u h ALA 84 N 0.90 0.38 -0.28 1.25 0.00 -0.90 -1.17 119.26 119.44 1v8u h ALA 84 Ca 0.10 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1v8u h ALA 84 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1v8u h ALA 84 CO 0.00 0.30 -0.43 0.93 0.00 0.00 0.00 179.25 180.05 1v8u h GLU 85 N 0.32 0.69 0.00 0.00 5.08 -0.61 0.20 114.58 120.27 1v8u h GLU 85 Ca 0.05 -0.37 -0.23 0.00 -1.00 0.00 0.00 59.36 57.81 1v8u h GLU 85 Cb 0.71 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1v8u h GLU 85 CO 0.05 0.99 -1.36 0.93 -1.00 0.00 0.00 179.01 178.62 1v8u h GLU 86 N 0.56 0.00 0.00 2.33 5.08 -1.27 -3.41 114.58 117.88 1v8u h GLU 86 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1v8u h GLU 86 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1v8u h GLU 86 CO 0.09 0.61 0.00 0.25 -1.00 0.00 0.00 179.01 178.96 1v8u n THR 87 N -3.12 0.00 -1.20 1.13 -2.24 -0.46 -4.84 114.28 103.55 1v8u n THR 87 Ca -0.09 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.29 1v8u n THR 87 Cb 0.96 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 70.27 1v8u n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v8u n GLY 88 N 0.45 0.90 3.63 3.38 0.00 0.71 -4.95 105.19 109.31 1v8u n GLY 88 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1v8u n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8u s LEU 89 N -1.57 2.98 0.03 0.99 1.43 -1.23 -0.70 118.68 120.61 1v8u s LEU 89 Ca 0.00 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 1v8u s LEU 89 Cb 0.00 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 1v8u s LEU 89 CO 0.00 -0.21 0.04 -0.94 0.23 0.00 0.00 176.35 175.47 1v8u s SER 90 N -3.71 0.21 0.18 2.29 1.04 -0.10 -2.70 113.70 110.92 1v8u s SER 90 Ca 0.34 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 56.20 1v8u s SER 90 Cb -0.01 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.31 1v8u s SER 90 CO 0.19 -0.41 0.37 0.61 0.98 0.00 0.00 173.24 174.99 1v8u n GLY 91 N 1.15 1.51 3.57 7.32 0.00 -1.26 -0.39 105.19 117.09 1v8u n GLY 91 Ca -0.21 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1v8u n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v8u s ASP 92 N -1.97 6.46 -0.00 1.61 1.01 0.34 -4.85 116.67 119.27 1v8u s ASP 92 Ca 0.07 0.19 -0.10 0.00 0.71 0.00 0.00 52.55 53.42 1v8u s ASP 92 Cb -0.02 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1v8u s ASP 92 CO 0.06 -0.64 0.33 -0.76 0.21 0.00 0.00 175.17 174.36 1v8u s LEU 93 N 2.83 4.41 -0.05 1.23 1.43 -1.26 -1.54 118.68 125.72 1v8u s LEU 93 Ca 0.26 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.13 1v8u s LEU 93 Cb -0.14 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.50 1v8u s LEU 93 CO 0.16 0.29 -0.08 -0.89 0.23 0.00 0.00 176.35 176.06 1v8u s THR 94 N -1.19 0.77 0.20 5.49 2.01 -0.01 -4.95 115.64 117.96 1v8u s THR 94 Ca 0.25 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1v8u s THR 94 Cb -0.14 -0.74 -0.09 0.00 0.01 0.00 0.00 72.50 71.54 1v8u s THR 94 CO 0.13 0.27 1.32 -0.47 -0.69 0.00 0.00 174.62 175.18 1v8u s TYR 95 N 0.75 3.24 -0.06 4.92 5.04 -1.26 -0.41 117.35 129.56 1v8u s TYR 95 Ca -0.12 1.22 -0.09 0.00 -2.44 0.00 0.00 57.07 55.64 1v8u s TYR 95 Cb -0.14 -3.62 -0.03 0.00 0.35 0.00 0.00 41.96 38.52 1v8u s TYR 95 CO 0.02 -1.92 -0.17 1.28 -1.34 0.00 0.00 175.55 173.42 1v8u n LEU 96 N 2.56 1.21 -3.87 6.97 4.77 0.20 -4.88 117.00 123.95 1v8u n LEU 96 Ca 0.06 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.22 1v8u n LEU 96 Cb 0.43 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1v8u n LEU 96 CO 0.58 -0.45 0.88 0.72 -1.33 0.00 0.00 177.39 177.78 1v8u s PHE 97 N -2.17 0.04 0.16 -1.77 -0.71 -1.19 -5.03 117.98 107.32 1v8u s PHE 97 Ca -0.14 -0.36 0.01 0.00 -1.04 0.00 0.00 56.93 55.40 1v8u s PHE 97 Cb 0.02 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 1v8u s PHE 97 CO 0.21 -0.75 0.02 -1.54 -1.34 0.00 0.00 175.22 171.82 1v8u s SER 98 N -3.41 0.88 -0.04 1.98 1.04 -1.26 -0.49 113.70 112.40 1v8u s SER 98 Ca 0.22 -1.19 -0.30 0.00 0.48 0.00 0.00 55.95 55.16 1v8u s SER 98 Cb -0.02 0.18 0.07 0.00 0.10 0.00 0.00 66.02 66.36 1v8u s SER 98 CO 0.03 -0.63 0.67 -0.72 0.98 0.00 0.00 173.24 173.57 1v8u s TYR 99 N -3.80 -0.64 -0.19 5.02 1.13 -0.58 -4.98 117.35 113.29 1v8u s TYR 99 Ca 0.24 1.06 -0.19 0.00 -1.41 0.00 0.00 57.07 56.78 1v8u s TYR 99 Cb 0.07 0.41 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1v8u s TYR 99 CO 0.03 -0.62 0.53 -0.06 -2.51 0.00 0.00 175.55 172.92 1v8u s PHE 100 N -1.35 3.38 0.36 -3.49 0.40 -1.26 -0.66 117.98 115.36 1v8u s PHE 100 Ca -0.10 0.80 0.06 0.00 -0.60 0.00 0.00 56.93 57.09 1v8u s PHE 100 Cb -0.00 -2.68 0.75 0.00 0.51 0.00 0.00 43.02 41.60 1v8u s PHE 100 CO 0.08 -0.09 1.94 -0.39 0.70 0.00 0.00 175.22 177.47 1v8u h VAL 101 N 5.10 1.00 -0.36 -0.44 -1.51 -1.79 -3.38 116.25 114.86 1v8u h VAL 101 Ca -0.34 -0.26 -0.11 0.00 -1.23 0.00 0.00 66.70 64.76 1v8u h VAL 101 Cb 1.16 0.18 -0.15 0.00 -2.13 0.00 0.00 31.29 30.34 1v8u h VAL 101 CO 0.74 0.14 -0.31 -0.24 -1.23 0.00 0.00 177.57 176.67 1v8u n SER 102 N -4.49 -2.40 0.04 4.19 2.88 -1.26 -5.02 113.62 107.56 1v8u n SER 102 Ca 0.12 -2.29 0.02 0.00 -1.33 0.00 0.00 58.87 55.39 1v8u n SER 102 Cb 0.26 1.31 0.13 0.00 -0.75 0.00 0.00 64.21 65.16 1v8u n SER 102 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1v8u n PRO 103 N 2.27 0.03 0.19 -1.46 -0.04 -1.26 -1.95 135.00 132.78 1v8u n PRO 103 Ca 0.11 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 64.16 1v8u n PRO 103 Cb 0.63 -1.72 0.52 0.00 -0.04 0.00 0.00 33.50 32.89 1v8u n PRO 103 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1v8u h GLY 104 N 0.00 0.00 0.00 0.55 0.00 -1.97 -3.39 103.07 98.26 1v8u h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v8u h GLY 104 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 1v8u n PHE 105 N -2.64 0.00 -4.18 5.60 1.16 -0.82 -4.97 117.46 111.61 1v8u n PHE 105 Ca 0.02 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.45 1v8u n PHE 105 Cb 0.31 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.08 1v8u n PHE 105 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1v8u s THR 106 N 0.00 0.99 -2.20 1.97 -1.32 -0.84 -0.59 115.64 113.65 1v8u s THR 106 Ca 0.00 -1.65 0.22 0.00 -1.21 0.00 0.00 61.69 59.05 1v8u s THR 106 Cb 0.00 -1.38 0.52 0.00 -1.51 0.00 0.00 72.50 70.13 1v8u s THR 106 CO 0.00 -0.54 1.47 -0.90 -2.21 0.00 0.00 174.62 172.44 1v8u n ASP 107 N 0.56 3.44 -4.68 8.08 3.85 -1.17 -4.00 116.55 122.62 1v8u n ASP 107 Ca -0.16 -1.98 -0.46 0.00 -0.71 0.00 0.00 54.79 51.48 1v8u n ASP 107 Cb 0.58 -0.35 -0.04 0.00 -1.35 0.00 0.00 41.12 39.95 1v8u n ASP 107 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1v8u n GLU 108 N 1.42 2.39 -5.15 0.11 2.13 -1.26 -4.85 120.64 115.42 1v8u n GLU 108 Ca 0.21 0.87 -0.32 0.00 0.66 0.00 0.00 57.16 58.58 1v8u n GLU 108 Cb 0.57 -2.71 -0.16 0.00 0.27 0.00 0.00 31.44 29.41 1v8u n GLU 108 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1v8u s LYS 109 N 2.80 2.60 -0.14 5.31 2.20 -1.26 -2.27 119.74 128.99 1v8u s LYS 109 Ca 0.85 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1v8u s LYS 109 Cb -0.61 -2.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.46 1v8u s LYS 109 CO 0.43 0.42 -0.15 0.99 -0.36 0.00 0.00 175.35 176.68 1v8u s THR 110 N -0.24 2.82 -0.25 3.43 2.01 0.17 -0.04 115.64 123.54 1v8u s THR 110 Ca -0.01 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 1v8u s THR 110 Cb -0.13 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1v8u s THR 110 CO 0.03 0.52 0.12 -1.00 -0.69 0.00 0.00 174.62 173.60 1v8u s HIS 111 N 0.52 3.17 -0.16 4.92 0.09 0.25 -1.53 115.29 122.54 1v8u s HIS 111 Ca -0.10 -0.12 -0.08 0.00 -0.00 0.00 0.00 55.06 54.76 1v8u s HIS 111 Cb -0.16 -2.27 -0.04 0.00 -0.00 0.00 0.00 32.58 30.11 1v8u s HIS 111 CO 0.04 -0.18 0.13 0.08 -0.00 0.00 0.00 174.74 174.81 1v8u s VAL 112 N 1.44 5.39 0.21 -0.90 1.01 0.36 -1.44 120.40 126.46 1v8u s VAL 112 Ca 0.06 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.31 1v8u s VAL 112 Cb -0.15 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1v8u s VAL 112 CO 0.06 0.52 -0.18 -0.36 0.00 0.00 0.00 175.10 175.15 1v8u s PHE 113 N -0.28 1.91 -0.10 5.22 0.40 -0.04 -0.63 117.98 124.46 1v8u s PHE 113 Ca 0.11 -0.47 -0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1v8u s PHE 113 Cb -0.12 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 1v8u s PHE 113 CO 0.01 0.44 -0.04 -1.17 0.70 0.00 0.00 175.22 175.16 1v8u s LEU 114 N -3.10 3.32 -0.09 -0.37 2.96 0.45 -0.21 118.68 121.63 1v8u s LEU 114 Ca 0.22 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1v8u s LEU 114 Cb -0.04 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 1v8u s LEU 114 CO 0.09 0.31 -0.19 0.00 -1.32 0.00 0.00 176.35 175.24 1v8u s ALA 115 N -0.46 2.41 0.24 5.97 0.00 0.78 -0.83 121.76 129.86 1v8u s ALA 115 Ca 0.07 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1v8u s ALA 115 Cb -0.12 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1v8u s ALA 115 CO 0.02 0.35 0.00 -1.21 0.00 0.00 0.00 175.76 174.93 1v8u s GLU 116 N 0.05 1.37 -1.32 0.00 2.02 -0.59 -4.24 118.70 115.99 1v8u s GLU 116 Ca -0.07 -1.70 -0.00 0.00 0.02 0.00 0.00 54.97 53.21 1v8u s GLU 116 Cb -0.15 -0.63 0.00 0.00 0.10 0.00 0.00 34.13 33.45 1v8u s GLU 116 CO 0.05 -0.11 0.68 0.09 0.02 0.00 0.00 175.26 175.99 1v8u n ASN 117 N -0.45 -1.13 -4.77 -0.19 5.03 -1.26 -0.50 115.26 111.99 1v8u n ASN 117 Ca -0.05 -0.83 -0.41 0.00 0.87 0.00 0.00 54.58 54.16 1v8u n ASN 117 Cb 0.64 -3.98 -0.01 0.00 -1.02 0.00 0.00 39.78 35.41 1v8u n ASN 117 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1v8u s LEU 118 N -6.70 4.34 -0.01 3.41 1.43 -1.26 -4.47 118.68 115.42 1v8u s LEU 118 Ca 0.01 2.96 0.02 0.00 -1.03 0.00 0.00 54.13 56.09 1v8u s LEU 118 Cb -0.01 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 1v8u s LEU 118 CO 0.82 -0.81 -0.06 -0.54 0.23 0.00 0.00 176.35 175.99 1v8u s LYS 119 N -1.77 0.54 -0.26 1.70 1.02 0.48 -4.96 119.74 116.49 1v8u s LYS 119 Ca 0.54 -0.20 -0.26 0.00 0.02 0.00 0.00 55.97 56.07 1v8u s LYS 119 Cb -0.45 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1v8u s LYS 119 CO 0.59 0.10 0.90 -2.00 -0.92 0.00 0.00 175.35 174.01 1v8u s GLU 120 N 0.03 4.16 -0.01 1.68 2.12 -1.26 -0.92 118.70 124.49 1v8u s GLU 120 Ca 0.00 1.00 0.13 0.00 0.36 0.00 0.00 54.97 56.47 1v8u s GLU 120 Cb -0.04 -3.67 -0.18 0.00 0.26 0.00 0.00 34.13 30.51 1v8u s GLU 120 CO -0.00 -0.61 0.44 1.33 -0.54 0.00 0.00 175.26 175.88 1v8u n VAL 121 N 5.37 0.00 -4.13 3.70 0.24 0.13 -4.98 118.33 118.67 1v8u n VAL 121 Ca 0.07 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 62.04 1v8u n VAL 121 Cb 0.47 0.62 -0.10 0.00 -1.47 0.00 0.00 33.84 33.36 1v8u n VAL 121 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1v8u s GLU 122 N -2.58 0.77 -0.05 7.34 2.02 -0.72 -5.04 118.70 120.45 1v8u s GLU 122 Ca 0.00 -1.33 0.05 0.00 0.02 0.00 0.00 54.97 53.72 1v8u s GLU 122 Cb 0.09 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.46 1v8u s GLU 122 CO 0.55 -0.16 -0.20 0.00 0.02 0.00 0.00 175.26 175.48 1v8u s ALA 123 N -3.92 2.42 0.00 5.21 0.00 -1.26 -4.73 121.76 119.48 1v8u s ALA 123 Ca 0.14 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1v8u s ALA 123 Cb 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1v8u s ALA 123 CO -0.05 0.50 0.00 -1.91 0.00 0.00 0.00 175.76 174.31 1v8u n GLU 129 N 2.55 0.00 0.26 0.00 4.07 -1.26 -4.94 120.64 121.31 1v8u n GLU 129 Ca -0.17 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.05 1v8u n GLU 129 Cb 0.52 0.00 0.68 0.00 -0.06 0.00 0.00 31.44 32.58 1v8u n GLU 129 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1v8u h ALA 130 N 0.00 1.28 -3.13 4.31 0.00 -2.01 -3.40 119.26 116.31 1v8u h ALA 130 Ca 0.00 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 54.14 1v8u h ALA 130 Cb 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.54 1v8u h ALA 130 CO 0.00 0.17 -0.66 0.42 0.00 0.00 0.00 179.25 179.18 1v8u s ILE 131 N -4.17 3.95 -0.20 0.00 1.01 -1.26 -4.41 121.20 116.12 1v8u s ILE 131 Ca -0.03 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 1v8u s ILE 131 Cb 0.13 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1v8u s ILE 131 CO 0.60 0.43 0.36 -0.70 0.00 0.00 0.00 174.94 175.63 1v8u s GLU 132 N 0.96 4.17 -0.19 2.79 2.12 0.78 -4.93 118.70 124.41 1v8u s GLU 132 Ca 0.01 0.14 -0.25 0.00 0.36 0.00 0.00 54.97 55.23 1v8u s GLU 132 Cb -0.14 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 1v8u s GLU 132 CO 0.02 0.01 0.83 0.08 -0.54 0.00 0.00 175.26 175.65 1v8u s VAL 133 N 1.17 4.87 -0.43 3.70 1.01 -1.26 -0.99 120.40 128.48 1v8u s VAL 133 Ca 0.18 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.79 1v8u s VAL 133 Cb -0.14 -4.13 0.12 0.00 0.00 0.00 0.00 36.38 32.23 1v8u s VAL 133 CO 0.07 -0.00 0.18 -0.69 0.00 0.00 0.00 175.10 174.66 1v8u s VAL 134 N 2.35 2.04 -0.05 2.92 1.01 0.12 -4.98 120.40 123.82 1v8u s VAL 134 Ca 0.37 -2.66 -0.30 0.00 0.00 0.00 0.00 61.98 59.39 1v8u s VAL 134 Cb -0.16 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1v8u s VAL 134 CO 0.11 -0.75 1.05 0.26 0.00 0.00 0.00 175.10 175.76 1v8u s TRP 135 N 0.40 3.50 -0.20 5.22 0.52 -1.26 -0.80 118.94 126.32 1v8u s TRP 135 Ca 0.15 1.54 -0.18 0.00 0.02 0.00 0.00 56.10 57.63 1v8u s TRP 135 Cb -0.23 -3.22 0.05 0.00 -1.15 0.00 0.00 33.47 28.92 1v8u s TRP 135 CO -0.05 -0.42 0.53 1.41 0.02 0.00 0.00 176.95 178.44 1v8u s MET 136 N 1.65 0.61 0.23 4.98 1.75 -0.46 -4.91 119.30 123.15 1v8u s MET 136 Ca 0.52 0.75 -0.31 0.00 -1.25 0.00 0.00 55.69 55.40 1v8u s MET 136 Cb -0.21 0.28 -0.10 0.00 2.84 0.00 0.00 34.83 37.64 1v8u s MET 136 CO 0.23 -0.08 1.53 1.03 -0.65 0.00 0.00 175.02 177.07 1v8u s ARG 137 N 0.37 4.21 0.45 4.11 0.52 -1.26 -0.27 118.95 127.08 1v8u s ARG 137 Ca -0.01 2.40 0.17 0.00 -0.52 0.00 0.00 55.73 57.78 1v8u s ARG 137 Cb -0.04 -3.10 1.12 0.00 0.52 0.00 0.00 34.95 33.45 1v8u s ARG 137 CO -0.00 -0.54 1.95 -1.35 0.02 0.00 0.00 175.30 175.37 1v8u h PRO 138 N 5.58 0.32 -0.82 3.54 0.11 -1.93 0.13 132.00 138.92 1v8u h PRO 138 Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1v8u h PRO 138 Cb 1.21 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1v8u h PRO 138 CO 0.83 0.21 0.39 0.93 -0.21 0.00 0.00 178.00 180.15 1v8u h GLU 139 N 0.32 1.17 -0.06 1.05 3.07 -1.91 -0.86 114.58 117.36 1v8u h GLU 139 Ca 0.32 -0.17 -0.18 0.00 -0.50 0.00 0.00 59.36 58.83 1v8u h GLU 139 Cb 0.82 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1v8u h GLU 139 CO -0.08 0.90 -0.73 0.93 -1.40 0.00 0.00 179.01 178.63 1v8u h GLU 140 N 1.16 0.34 -0.35 2.33 4.39 -1.37 -1.89 114.58 119.19 1v8u h GLU 140 Ca 0.28 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1v8u h GLU 140 Cb 0.12 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1v8u h GLU 140 CO -0.04 0.93 0.02 0.00 -1.16 0.00 0.00 179.01 178.76 1v8u h ALA 141 N 0.99 0.48 -0.69 3.43 0.00 -0.99 -0.58 119.26 121.89 1v8u h ALA 141 Ca -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1v8u h ALA 141 Cb 1.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1v8u h ALA 141 CO 0.12 0.22 0.32 1.25 0.00 0.00 0.00 179.25 181.16 1v8u h LEU 142 N 0.43 0.92 -0.27 0.00 5.85 -1.11 -1.51 115.31 119.63 1v8u h LEU 142 Ca 0.10 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1v8u h LEU 142 Cb 0.43 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1v8u h LEU 142 CO 0.01 0.81 0.08 -0.08 -0.34 0.00 0.00 178.44 178.93 1v8u h GLU 143 N 0.97 0.42 -0.94 1.25 4.81 -1.16 -0.98 114.58 118.94 1v8u h GLU 143 Ca 0.24 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1v8u h GLU 143 Cb 0.15 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1v8u h GLU 143 CO -0.03 0.49 0.62 0.00 -0.73 0.00 0.00 179.01 179.36 1v8u h ARG 144 N 0.27 1.25 -0.37 1.92 3.08 -0.92 -1.11 114.38 118.50 1v8u h ARG 144 Ca 0.09 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1v8u h ARG 144 Cb 0.24 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1v8u h ARG 144 CO -0.00 0.83 0.12 1.25 -1.07 0.00 0.00 179.97 181.10 1v8u h HIS 145 N 1.28 0.59 -0.02 3.04 2.76 -1.04 -0.66 115.15 121.10 1v8u h HIS 145 Ca 0.35 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1v8u h HIS 145 Cb -0.14 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 28.64 1v8u h HIS 145 CO -0.00 0.56 0.02 1.96 -1.30 0.00 0.00 177.93 179.16 1v8u h GLN 146 N 0.45 0.00 -0.01 5.26 4.20 -0.65 0.20 115.11 124.56 1v8u h GLN 146 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1v8u h GLN 146 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1v8u h GLN 146 CO -0.01 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.69 1v8u n ARG 147 N -4.38 1.40 -1.18 1.46 1.74 -0.47 -4.92 116.66 110.31 1v8u n ARG 147 Ca -0.03 -0.59 -0.06 0.00 -0.77 0.00 0.00 57.85 56.41 1v8u n ARG 147 Cb 0.11 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1v8u n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8u n GLY 148 N 1.10 0.86 0.11 -0.13 0.00 0.72 -4.91 105.19 102.94 1v8u n GLY 148 Ca 0.21 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.70 1v8u n GLY 148 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1v8u n GLU 149 N -2.65 0.61 -3.85 1.61 1.02 -0.31 -4.92 120.64 112.15 1v8u n GLU 149 Ca -0.06 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1v8u n GLU 149 Cb 0.23 -1.83 -0.10 0.00 -0.02 0.00 0.00 31.44 29.72 1v8u n GLU 149 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1v8u s VAL 150 N -3.35 0.06 0.24 2.62 0.11 -1.23 -4.97 120.40 113.88 1v8u s VAL 150 Ca -0.01 -0.52 0.06 0.00 -2.93 0.00 0.00 61.98 58.58 1v8u s VAL 150 Cb 0.09 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1v8u s VAL 150 CO 0.79 -0.28 0.28 -1.61 -3.33 0.00 0.00 175.10 170.95 1v8u s GLU 151 N -1.04 3.22 0.11 1.54 0.41 -1.26 -4.25 118.70 117.43 1v8u s GLU 151 Ca -0.11 -0.87 0.08 0.00 -0.41 0.00 0.00 54.97 53.66 1v8u s GLU 151 Cb -0.06 -2.76 -0.04 0.00 -1.78 0.00 0.00 34.13 29.49 1v8u s GLU 151 CO 0.01 0.43 -0.16 -0.06 -0.49 0.00 0.00 175.26 174.99 1v8u s PHE 152 N -2.02 2.59 0.40 1.61 2.99 -1.26 0.04 117.98 122.34 1v8u s PHE 152 Ca 0.33 -0.23 0.07 0.00 0.00 0.00 0.00 56.93 57.11 1v8u s PHE 152 Cb -0.09 -1.38 0.01 0.00 0.00 0.00 0.00 43.02 41.56 1v8u s PHE 152 CO 0.27 0.39 0.55 -1.54 -0.00 0.00 0.00 175.22 174.90 1v8u s SER 153 N -2.13 5.73 0.21 1.36 1.04 -0.88 -4.81 113.70 114.22 1v8u s SER 153 Ca 0.19 -0.33 -0.09 0.00 0.48 0.00 0.00 55.95 56.19 1v8u s SER 153 Cb -0.11 -0.83 0.23 0.00 0.10 0.00 0.00 66.02 65.42 1v8u s SER 153 CO 0.11 -0.69 1.83 0.00 0.98 0.00 0.00 173.24 175.47 1v8u h ALA 154 N 0.68 0.94 -0.85 5.32 0.00 -2.00 -1.94 119.26 121.40 1v8u h ALA 154 Ca -0.42 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1v8u h ALA 154 Cb 1.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1v8u h ALA 154 CO 0.47 0.14 0.45 1.79 0.00 0.00 0.00 179.25 182.10 1v8u h THR 155 N 0.79 1.25 -0.39 0.00 1.35 -1.94 -0.74 112.91 113.23 1v8u h THR 155 Ca 0.30 -0.65 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 1v8u h THR 155 Cb 0.12 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.65 1v8u h THR 155 CO -0.15 0.29 0.13 1.23 -0.25 0.00 0.00 175.52 176.77 1v8u h GLY 156 N 1.21 0.64 0.97 5.82 0.00 -1.56 -1.20 103.07 108.95 1v8u h GLY 156 Ca 0.30 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1v8u h GLY 156 CO -0.04 0.35 0.08 -2.00 0.00 0.00 0.00 176.54 174.92 1v8u h LEU 157 N 0.48 0.74 -0.67 3.11 5.85 -1.13 -1.65 115.31 122.04 1v8u h LEU 157 Ca 0.13 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1v8u h LEU 157 Cb 0.24 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1v8u h LEU 157 CO -0.01 0.81 0.42 0.58 -0.34 0.00 0.00 178.44 179.91 1v8u h VAL 158 N 0.64 1.11 -0.50 1.05 2.07 -1.03 0.70 116.25 120.28 1v8u h VAL 158 Ca 0.14 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1v8u h VAL 158 Cb 0.38 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1v8u h VAL 158 CO 0.01 0.15 0.33 1.23 0.02 0.00 0.00 177.57 179.31 1v8u h GLY 159 N 0.84 0.71 0.91 2.17 0.00 -0.93 0.12 103.07 106.89 1v8u h GLY 159 Ca 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v8u h GLY 159 CO -0.09 0.26 0.04 -2.08 0.00 0.00 0.00 176.54 174.66 1v8u h VAL 160 N 0.68 1.09 -0.60 4.60 2.07 -0.61 -1.57 116.25 121.90 1v8u h VAL 160 Ca 0.18 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1v8u h VAL 160 Cb -0.07 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1v8u h VAL 160 CO -0.04 0.08 0.01 -0.07 0.02 0.00 0.00 177.57 177.57 1v8u h LEU 161 N 0.01 1.03 -0.41 2.57 3.38 -0.71 -2.12 115.31 119.07 1v8u h LEU 161 Ca 0.02 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1v8u h LEU 161 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1v8u h LEU 161 CO -0.00 1.08 0.26 0.22 0.09 0.00 0.00 178.44 180.09 1v8u h TYR 162 N 0.97 0.50 0.07 1.13 3.20 -0.65 -1.34 116.97 120.85 1v8u h TYR 162 Ca 0.17 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1v8u h TYR 162 Cb 0.55 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1v8u h TYR 162 CO 0.04 0.31 -0.16 -0.92 -1.64 0.00 0.00 178.16 175.79 1v8u h TYR 163 N 0.54 -0.41 -0.03 -3.82 3.20 -1.09 -0.79 116.97 114.58 1v8u h TYR 163 Ca 0.15 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.04 1v8u h TYR 163 Cb -0.05 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 1v8u h TYR 163 CO -0.05 -0.24 0.02 0.45 -1.64 0.00 0.00 178.16 176.70 1v8u h HIS 164 N -0.30 0.00 0.14 -3.82 3.86 -1.11 -1.49 115.15 112.43 1v8u h HIS 164 Ca 0.03 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.93 1v8u h HIS 164 Cb 0.33 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1v8u h HIS 164 CO -0.18 0.00 -1.61 0.00 0.86 0.00 0.00 177.93 177.01 1v8u h ALA 165 N 1.98 0.20 0.00 2.45 0.00 -0.77 -3.44 119.26 119.68 1v8u h ALA 165 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1v8u h ALA 165 Cb 0.06 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1v8u h ALA 165 CO -0.00 0.95 0.00 1.19 0.00 0.00 0.00 179.25 181.39 1v8u n PHE 166 N -3.76 0.00 -0.79 0.00 3.01 -0.34 -4.82 117.46 110.76 1v8u n PHE 166 Ca -0.26 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.28 1v8u n PHE 166 Cb 0.98 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.61 1v8u n PHE 166 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1v8u n LEU 167 N -0.57 2.90 -4.80 4.37 4.77 -0.57 -5.05 117.00 118.06 1v8u n LEU 167 Ca 0.00 -2.79 -0.35 0.00 -0.03 0.00 0.00 56.01 52.85 1v8u n LEU 167 Cb 0.01 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1v8u n LEU 167 CO 0.00 0.67 0.69 -0.13 -1.33 0.00 0.00 177.39 177.29 1v8u s ARG 168 N -2.38 4.18 0.00 3.23 0.52 -1.19 -4.99 118.95 118.32 1v8u s ARG 168 Ca 0.30 1.31 0.00 0.00 -0.52 0.00 0.00 55.73 56.82 1v8u s ARG 168 Cb 0.24 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1v8u s ARG 168 CO 0.06 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.69