#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u81 s ARG 19 N 0.00 3.16 -0.13 3.17 3.52 -1.26 -0.24 118.95 127.17 1u81 s ARG 19 Ca 0.00 -0.77 -0.01 0.00 -0.13 0.00 0.00 55.73 54.82 1u81 s ARG 19 Cb 0.00 -2.60 0.03 0.00 -1.56 0.00 0.00 34.95 30.83 1u81 s ARG 19 CO 0.00 -0.02 -0.06 0.42 -0.81 0.00 0.00 175.30 174.83 1u81 s ILE 20 N 0.90 0.98 -1.04 4.11 1.09 -1.01 -1.41 121.20 124.83 1u81 s ILE 20 Ca -0.04 -0.38 -0.21 0.00 -1.10 0.00 0.00 60.65 58.91 1u81 s ILE 20 Cb -0.15 -1.09 0.08 0.00 -1.06 0.00 0.00 42.46 40.24 1u81 s ILE 20 CO -0.02 0.25 1.41 -0.76 -0.10 0.00 0.00 174.94 175.72 1u81 s LEU 21 N 1.71 3.95 -0.91 2.97 1.43 -1.26 -4.41 118.68 122.16 1u81 s LEU 21 Ca 0.03 -1.75 -0.25 0.00 -1.03 0.00 0.00 54.13 51.14 1u81 s LEU 21 Cb -0.14 -2.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.50 1u81 s LEU 21 CO -0.08 -1.34 1.99 -0.32 0.23 0.00 0.00 176.35 176.83 1u81 s MET 22 N 4.25 2.45 0.26 1.70 -2.45 -1.25 -3.02 119.30 121.24 1u81 s MET 22 Ca 0.44 -0.27 -0.18 0.00 -1.25 0.00 0.00 55.69 54.43 1u81 s MET 22 Cb -0.01 -5.05 -0.09 0.00 1.25 0.00 0.00 34.83 30.94 1u81 s MET 22 CO -0.08 -3.54 0.73 0.14 1.05 0.00 0.00 175.02 173.33 1u81 s VAL 23 N 10.66 4.61 -0.24 10.11 -7.23 0.16 -4.71 120.40 133.76 1u81 s VAL 23 Ca 0.72 1.16 -0.37 0.00 -1.81 0.00 0.00 61.98 61.68 1u81 s VAL 23 Cb -0.07 -3.76 0.15 0.00 0.56 0.00 0.00 36.38 33.26 1u81 s VAL 23 CO 0.01 0.05 1.30 -0.83 -0.31 0.00 0.00 175.10 175.32 1u81 s GLY 24 N -1.90 -0.24 0.00 2.32 0.00 -1.26 -1.01 107.32 105.22 1u81 s GLY 24 Ca 0.48 1.77 0.00 0.00 0.00 0.00 0.00 44.72 46.97 1u81 s GLY 24 CO 0.19 0.59 0.00 1.04 0.00 0.00 0.00 173.10 174.93 1u81 n LEU 25 N -0.04 0.00 -4.67 0.66 4.77 -1.26 -4.12 117.00 112.33 1u81 n LEU 25 Ca 0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.61 1u81 n LEU 25 Cb 0.57 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1u81 n LEU 25 CO 0.09 -0.24 0.45 1.51 -1.33 0.00 0.00 177.39 177.87 1u81 s ASP 26 N -1.47 6.81 -1.03 -1.43 1.47 -1.26 -3.94 116.67 115.82 1u81 s ASP 26 Ca 0.00 0.99 0.00 0.00 1.18 0.00 0.00 52.55 54.72 1u81 s ASP 26 Cb 0.00 -2.39 0.00 0.00 -0.34 0.00 0.00 42.92 40.19 1u81 s ASP 26 CO 0.00 -0.29 0.00 0.00 0.68 0.00 0.00 175.17 175.56 1u81 n ALA 27 N 4.92 -0.27 -0.04 2.11 0.00 -1.26 -4.94 120.51 121.03 1u81 n ALA 27 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 1u81 n ALA 27 Cb 0.50 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.49 1u81 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u81 h ALA 28 N 0.33 0.16 0.00 0.00 0.00 -1.93 -3.47 119.26 114.35 1u81 h ALA 28 Ca -0.25 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1u81 h ALA 28 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1u81 h ALA 28 CO 0.32 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1u81 n GLY 29 N 0.25 -0.35 0.18 0.00 0.00 -1.26 -4.69 105.19 99.32 1u81 n GLY 29 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 1u81 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u81 h LYS 30 N 0.00 0.43 -0.09 1.61 1.57 -1.92 -2.27 116.57 115.89 1u81 h LYS 30 Ca 0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1u81 h LYS 30 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1u81 h LYS 30 CO 0.00 0.29 -0.36 1.15 -0.57 0.00 0.00 179.45 179.96 1u81 h THR 31 N 0.44 1.28 0.60 -0.16 2.02 -1.98 -2.44 112.91 112.68 1u81 h THR 31 Ca 0.17 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 1u81 h THR 31 Cb 0.06 1.61 0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1u81 h THR 31 CO -0.11 0.41 -0.29 0.74 0.37 0.00 0.00 175.52 176.64 1u81 h THR 32 N 0.17 0.14 -0.87 3.16 2.02 -1.88 0.35 112.91 115.99 1u81 h THR 32 Ca 0.02 -0.39 0.23 0.00 0.77 0.00 0.00 66.41 67.04 1u81 h THR 32 Cb 0.72 0.19 -0.15 0.00 -1.74 0.00 0.00 68.15 67.18 1u81 h THR 32 CO 0.05 0.02 0.14 0.40 0.37 0.00 0.00 175.52 176.51 1u81 h ILE 33 N -1.15 0.26 -0.64 3.11 2.04 -1.41 0.66 117.51 120.38 1u81 h ILE 33 Ca -0.08 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1u81 h ILE 33 Cb 0.66 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1u81 h ILE 33 CO 0.14 0.03 0.08 -0.07 0.00 0.00 0.00 178.15 178.33 1u81 h LEU 34 N 0.14 1.03 -2.01 1.44 3.38 -1.26 -1.90 115.31 116.12 1u81 h LEU 34 Ca 0.53 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.37 1u81 h LEU 34 Cb 1.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1u81 h LEU 34 CO -0.71 1.03 0.30 0.22 0.09 0.00 0.00 178.44 179.36 1u81 h TYR 35 N 1.00 0.00 0.01 1.13 3.20 0.45 0.47 116.97 123.23 1u81 h TYR 35 Ca 0.19 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1u81 h TYR 35 Cb 0.45 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1u81 h TYR 35 CO 0.03 0.00 -0.01 0.87 -1.64 0.00 0.00 178.16 177.42 1u81 h LYS 36 N 0.00 -0.02 -1.01 1.82 1.79 -0.58 -3.35 116.57 115.22 1u81 h LYS 36 Ca 0.19 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.90 1u81 h LYS 36 Cb 0.78 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.32 1u81 h LYS 36 CO -0.00 -0.01 0.61 -0.07 -1.08 0.00 0.00 179.45 178.90 1u81 h LEU 37 N -0.83 0.65 -2.44 2.94 3.38 -1.11 -3.47 115.31 114.44 1u81 h LEU 37 Ca -0.00 0.12 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1u81 h LEU 37 Cb 0.01 0.01 0.16 0.00 0.09 0.00 0.00 40.66 40.94 1u81 h LEU 37 CO 0.00 0.13 -0.71 0.29 0.09 0.00 0.00 178.44 178.25 1u81 n LYS 38 N -4.81 -2.08 -0.14 1.13 5.02 0.16 -4.88 118.16 112.56 1u81 n LYS 38 Ca 0.26 0.98 -0.00 0.00 -2.02 0.00 0.00 58.31 57.52 1u81 n LYS 38 Cb 0.74 -5.81 0.05 0.00 -0.02 0.00 0.00 35.03 29.99 1u81 n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1u81 n LEU 39 N -2.97 2.20 0.00 -0.35 4.77 -1.26 -4.94 117.00 114.45 1u81 n LEU 39 Ca -0.06 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1u81 n LEU 39 Cb 0.60 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1u81 n LEU 39 CO 0.58 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1u81 n GLY 40 N 0.14 -0.68 0.79 -0.72 0.00 -1.26 -4.72 105.19 98.74 1u81 n GLY 40 Ca 0.05 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 1u81 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u81 n GLU 41 N 0.25 0.00 -2.80 1.61 1.02 -1.26 -4.77 120.64 114.69 1u81 n GLU 41 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1u81 n GLU 41 Cb 0.00 -0.33 -0.03 0.00 -0.02 0.00 0.00 31.44 31.05 1u81 n GLU 41 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1u81 s ILE 42 N 0.09 4.81 -0.96 -3.67 1.01 -1.26 -4.98 121.20 116.23 1u81 s ILE 42 Ca 0.21 1.78 -0.24 0.00 0.00 0.00 0.00 60.65 62.40 1u81 s ILE 42 Cb -0.29 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.01 1u81 s ILE 42 CO 0.13 -0.04 1.50 -0.69 0.00 0.00 0.00 174.94 175.84 1u81 s VAL 43 N 2.50 3.83 -1.09 2.92 1.01 -1.26 -4.92 120.40 123.38 1u81 s VAL 43 Ca 0.41 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1u81 s VAL 43 Cb -0.16 -4.89 0.17 0.00 0.00 0.00 0.00 36.38 31.50 1u81 s VAL 43 CO 0.11 -1.79 1.27 -0.89 0.00 0.00 0.00 175.10 173.80 1u81 s THR 44 N 5.78 5.09 0.70 3.92 2.01 -1.26 -4.17 115.64 127.71 1u81 s THR 44 Ca 0.48 -2.40 -0.00 0.00 0.31 0.00 0.00 61.69 60.07 1u81 s THR 44 Cb -0.02 -4.81 0.12 0.00 0.01 0.00 0.00 72.50 67.79 1u81 s THR 44 CO -0.05 -1.50 0.97 0.42 -0.69 0.00 0.00 174.62 173.77 1u81 s THR 45 N 1.50 2.18 -0.53 -0.82 -4.23 -1.26 -5.04 115.64 107.44 1u81 s THR 45 Ca 0.37 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 60.31 1u81 s THR 45 Cb -0.05 -2.57 0.13 0.00 1.34 0.00 0.00 72.50 71.35 1u81 s THR 45 CO -0.04 0.00 0.28 -0.63 -0.54 0.00 0.00 174.62 173.69 1u81 s ILE 46 N -3.10 2.55 0.00 2.99 1.01 -1.26 -3.97 121.20 119.42 1u81 s ILE 46 Ca 0.65 -3.37 0.00 0.00 0.00 0.00 0.00 60.65 57.94 1u81 s ILE 46 Cb -0.06 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1u81 s ILE 46 CO 0.44 -0.82 0.69 -2.65 0.00 0.00 0.00 174.94 172.60 1u81 n PRO 47 N 3.03 0.00 -4.03 2.79 -0.02 -1.20 -4.76 135.00 130.81 1u81 n PRO 47 Ca 0.06 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.41 1u81 n PRO 47 Cb 0.32 -1.19 -0.08 0.00 -0.02 0.00 0.00 33.50 32.53 1u81 n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1u81 s THR 48 N -1.78 4.99 -0.44 3.45 -4.23 -1.09 -4.94 115.64 111.61 1u81 s THR 48 Ca 0.00 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 1u81 s THR 48 Cb 0.00 -3.18 -0.15 0.00 1.34 0.00 0.00 72.50 70.51 1u81 s THR 48 CO 0.00 0.56 1.10 -0.38 -0.54 0.00 0.00 174.62 175.36 1u81 n ILE 49 N 2.55 0.00 0.00 2.99 -0.00 -1.26 0.77 119.36 124.40 1u81 n ILE 49 Ca -0.18 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.27 1u81 n ILE 49 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.18 1u81 n ILE 49 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1u81 n GLY 50 N 3.13 3.29 3.57 7.39 0.00 -1.26 -5.03 105.19 116.28 1u81 n GLY 50 Ca 0.30 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1u81 n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u81 s PHE 51 N -0.05 2.66 -0.08 1.61 5.36 0.23 -5.01 117.98 122.70 1u81 s PHE 51 Ca 0.00 0.36 -0.04 0.00 -0.96 0.00 0.00 56.93 56.30 1u81 s PHE 51 Cb 0.00 -4.43 -0.04 0.00 -0.34 0.00 0.00 43.02 38.21 1u81 s PHE 51 CO 0.00 -1.52 0.08 -0.80 -1.46 0.00 0.00 175.22 171.52 1u81 s ASN 52 N 2.89 5.86 -0.05 6.13 -0.87 -1.26 -2.66 114.94 124.98 1u81 s ASN 52 Ca 0.41 0.29 0.01 0.00 -1.57 0.00 0.00 52.86 52.00 1u81 s ASN 52 Cb -0.08 -1.78 0.02 0.00 -0.02 0.00 0.00 41.25 39.39 1u81 s ASN 52 CO 0.25 0.36 -0.07 -0.69 -2.57 0.00 0.00 177.10 174.39 1u81 s VAL 53 N -1.03 0.69 -0.67 1.60 1.01 -1.25 -4.54 120.40 116.21 1u81 s VAL 53 Ca 0.17 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1u81 s VAL 53 Cb -0.12 -0.68 0.17 0.00 0.00 0.00 0.00 36.38 35.76 1u81 s VAL 53 CO 0.06 0.25 0.58 -1.61 0.00 0.00 0.00 175.10 174.39 1u81 s GLU 54 N 0.76 3.09 -0.44 2.72 2.02 -0.96 -4.24 118.70 121.66 1u81 s GLU 54 Ca -0.12 -2.22 -0.14 0.00 0.02 0.00 0.00 54.97 52.51 1u81 s GLU 54 Cb -0.14 -4.18 -0.14 0.00 0.10 0.00 0.00 34.13 29.77 1u81 s GLU 54 CO 0.01 -1.26 1.66 2.41 0.02 0.00 0.00 175.26 178.11 1u81 n THR 55 N 4.27 1.10 -1.04 3.63 -1.04 -1.26 -1.59 114.28 118.34 1u81 n THR 55 Ca 0.04 -0.79 -0.31 0.00 -2.04 0.00 0.00 64.05 60.95 1u81 n THR 55 Cb 0.43 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 66.92 1u81 n THR 55 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1u81 n VAL 56 N 5.52 3.01 -4.06 12.58 0.31 -0.82 -4.80 118.33 130.07 1u81 n VAL 56 Ca 0.35 -1.93 -0.32 0.00 -0.01 0.00 0.00 64.34 62.43 1u81 n VAL 56 Cb 0.24 -2.34 -0.15 0.00 -0.91 0.00 0.00 33.84 30.68 1u81 n VAL 56 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1u81 s GLU 57 N 3.21 2.22 -0.20 5.55 2.02 -1.26 -0.92 118.70 129.32 1u81 s GLU 57 Ca 0.51 -1.33 -0.10 0.00 0.02 0.00 0.00 54.97 54.07 1u81 s GLU 57 Cb 0.13 -2.87 0.07 0.00 0.10 0.00 0.00 34.13 31.56 1u81 s GLU 57 CO -0.03 -0.57 0.48 -0.47 0.02 0.00 0.00 175.26 174.69 1u81 s TYR 58 N 1.11 -0.74 0.00 1.61 5.04 -0.71 -4.95 117.35 118.71 1u81 s TYR 58 Ca -0.09 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1u81 s TYR 58 Cb -0.20 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.48 1u81 s TYR 58 CO -0.05 -0.41 0.00 1.63 -1.34 0.00 0.00 175.55 175.38 1u81 n LYS 59 N 4.43 0.00 0.11 4.97 5.02 -1.26 -3.61 118.16 127.82 1u81 n LYS 59 Ca -0.21 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.10 1u81 n LYS 59 Cb 0.55 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.91 1u81 n LYS 59 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1u81 h ASN 60 N 8.91 0.22 -3.25 4.39 -1.07 -2.00 -3.40 115.58 119.40 1u81 h ASN 60 Ca 0.00 -0.06 -0.57 0.00 0.07 0.00 0.00 56.30 55.74 1u81 h ASN 60 Cb 0.00 -0.06 -0.04 0.00 -2.07 0.00 0.00 38.32 36.15 1u81 h ASN 60 CO 0.00 0.44 -0.09 -0.63 0.07 0.00 0.00 177.43 177.22 1u81 s ILE 61 N -4.58 4.86 -0.24 6.14 1.01 -1.24 0.11 121.20 127.26 1u81 s ILE 61 Ca -0.05 0.92 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 1u81 s ILE 61 Cb 0.15 -3.77 0.12 0.00 0.01 0.00 0.00 42.46 38.96 1u81 s ILE 61 CO 0.74 0.38 0.29 -0.44 0.00 0.00 0.00 174.94 175.90 1u81 s SER 62 N -1.47 1.15 -0.30 3.58 0.01 0.66 -1.74 113.70 115.60 1u81 s SER 62 Ca 0.33 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.35 1u81 s SER 62 Cb -0.16 0.62 0.07 0.00 0.21 0.00 0.00 66.02 66.76 1u81 s SER 62 CO 0.18 -0.34 -0.01 -0.36 0.41 0.00 0.00 173.24 173.12 1u81 s PHE 63 N 2.40 3.41 -1.10 2.43 0.08 -0.09 -2.41 117.98 122.70 1u81 s PHE 63 Ca 0.09 -2.36 -0.22 0.00 0.12 0.00 0.00 56.93 54.57 1u81 s PHE 63 Cb -0.15 -2.32 0.06 0.00 -0.57 0.00 0.00 43.02 40.03 1u81 s PHE 63 CO -0.19 -0.88 1.53 0.99 -0.10 0.00 0.00 175.22 176.56 1u81 s THR 64 N 1.10 3.98 0.72 0.64 2.01 -1.26 -1.95 115.64 120.88 1u81 s THR 64 Ca -0.02 -1.08 -0.14 0.00 0.31 0.00 0.00 61.69 60.76 1u81 s THR 64 Cb -0.20 -5.10 0.04 0.00 0.01 0.00 0.00 72.50 67.25 1u81 s THR 64 CO -0.04 -1.96 1.13 -0.69 -0.69 0.00 0.00 174.62 172.37 1u81 s VAL 65 N 4.77 2.91 -0.96 3.82 1.01 -0.62 -4.69 120.40 126.63 1u81 s VAL 65 Ca 0.48 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1u81 s VAL 65 Cb 0.01 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1u81 s VAL 65 CO -0.05 -0.30 0.00 -2.67 0.00 0.00 0.00 175.10 172.08 1u81 n TRP 66 N -2.89 0.00 -4.52 5.22 2.14 -1.26 -2.27 117.44 113.86 1u81 n TRP 66 Ca 0.11 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.42 1u81 n TRP 66 Cb 0.52 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.94 1u81 n TRP 66 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1u81 s ASP 67 N -0.70 2.84 0.39 -0.67 1.11 -1.26 -4.56 116.67 113.82 1u81 s ASP 67 Ca 0.00 -1.70 -0.14 0.00 0.18 0.00 0.00 52.55 50.89 1u81 s ASP 67 Cb 0.00 0.54 -0.08 0.00 1.07 0.00 0.00 42.92 44.45 1u81 s ASP 67 CO 0.00 -0.95 0.81 0.68 1.18 0.00 0.00 175.17 176.89 1u81 s VAL 68 N -3.19 4.66 0.00 -1.27 -7.23 -1.26 -4.97 120.40 107.13 1u81 s VAL 68 Ca 0.23 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.35 1u81 s VAL 68 Cb 0.02 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1u81 s VAL 68 CO 0.15 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 1u81 n GLY 69 N -0.90 -1.81 5.36 2.32 0.00 -1.26 -5.04 105.19 103.87 1u81 n GLY 69 Ca 0.04 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1u81 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u81 n GLY 70 N 0.00 1.02 0.00 -0.02 0.00 -1.26 -2.49 105.19 102.43 1u81 n GLY 70 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1u81 n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u81 n GLN 71 N 0.00 0.00 0.00 1.61 7.27 -1.26 -5.04 117.38 119.96 1u81 n GLN 71 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1u81 n GLN 71 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1u81 n GLN 71 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1u81 n ASP 72 N 0.00 0.00 -3.70 1.69 5.75 -1.04 -2.93 116.55 116.32 1u81 n ASP 72 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 1u81 n ASP 72 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1u81 n ASP 72 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1u81 n LYS 73 N 1.63 4.29 -3.30 0.11 4.81 -1.26 -4.78 118.16 119.66 1u81 n LYS 73 Ca 0.00 -3.73 -0.27 0.00 -0.87 0.00 0.00 58.31 53.43 1u81 n LYS 73 Cb 0.00 -2.71 0.03 0.00 0.02 0.00 0.00 35.03 32.36 1u81 n LYS 73 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1u81 n ILE 74 N 2.11 -5.87 -3.84 3.15 3.06 -1.15 -5.04 119.36 111.79 1u81 n ILE 74 Ca 0.48 0.38 -0.16 0.00 -2.50 0.00 0.00 62.75 60.94 1u81 n ILE 74 Cb 0.30 -4.57 -0.16 0.00 0.54 0.00 0.00 39.64 35.75 1u81 n ILE 74 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1u81 s ARG 75 N -2.36 0.13 0.00 9.51 6.06 -1.23 -5.04 118.95 126.03 1u81 s ARG 75 Ca 0.31 0.14 0.00 0.00 -2.50 0.00 0.00 55.73 53.69 1u81 s ARG 75 Cb -0.04 -0.39 0.00 0.00 0.06 0.00 0.00 34.95 34.58 1u81 s ARG 75 CO 0.78 -0.17 0.16 -2.30 -2.50 0.00 0.00 175.30 171.28 1u81 n PRO 76 N 4.25 0.17 -0.15 5.12 -0.02 -1.26 -3.65 135.00 139.45 1u81 n PRO 76 Ca -0.25 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.13 1u81 n PRO 76 Cb 0.50 -1.01 0.03 0.00 -0.02 0.00 0.00 33.50 33.00 1u81 n PRO 76 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1u81 h LEU 77 N 0.11 0.98 -0.05 2.45 -0.00 -1.96 -2.64 115.31 114.21 1u81 h LEU 77 Ca 0.00 -0.34 0.03 0.00 -0.00 0.00 0.00 57.88 57.56 1u81 h LEU 77 Cb 0.01 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.37 1u81 h LEU 77 CO 0.00 1.12 -0.12 -0.50 -0.00 0.00 0.00 178.44 178.95 1u81 h TRP 78 N 0.85 -0.29 -0.31 0.17 4.06 -1.95 -1.91 115.95 116.56 1u81 h TRP 78 Ca 0.12 0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.15 1u81 h TRP 78 Cb 0.73 0.14 -0.06 0.00 -1.00 0.00 0.00 29.16 28.96 1u81 h TRP 78 CO 0.05 -0.17 -0.09 0.00 -3.56 0.00 0.00 178.44 174.66 1u81 h ARG 79 N -0.17 -0.02 0.00 0.49 -0.00 -1.81 0.11 114.38 112.97 1u81 h ARG 79 Ca 0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.54 1u81 h ARG 79 Cb 0.25 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.23 1u81 h ARG 79 CO -0.15 -0.01 -0.00 0.45 0.00 0.00 0.00 179.97 180.25 1u81 h HIS 80 N -0.02 0.00 0.01 3.04 3.86 -1.10 0.13 115.15 121.06 1u81 h HIS 80 Ca 0.15 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1u81 h HIS 80 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1u81 h HIS 80 CO -0.31 0.00 -0.00 1.88 0.86 0.00 0.00 177.93 180.36 1u81 h TYR 81 N 0.00 -0.01 -0.92 2.45 0.05 -0.08 -3.10 116.97 115.37 1u81 h TYR 81 Ca -0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 1u81 h TYR 81 Cb 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 1u81 h TYR 81 CO 0.00 0.79 0.59 0.74 -1.05 0.00 0.00 178.16 179.24 1u81 h PHE 82 N -0.96 1.04 -0.29 4.88 0.04 -0.14 0.58 116.94 122.08 1u81 h PHE 82 Ca -0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1u81 h PHE 82 Cb 0.81 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1u81 h PHE 82 CO 0.22 0.51 0.10 1.96 -0.60 0.00 0.00 178.31 180.49 1u81 h GLN 83 N 0.99 0.45 0.00 1.51 4.20 -0.88 -3.27 115.11 118.11 1u81 h GLN 83 Ca 0.41 -0.10 -0.17 0.00 0.06 0.00 0.00 58.65 58.86 1u81 h GLN 83 Cb 0.30 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1u81 h GLN 83 CO -0.17 0.50 -1.30 -2.95 -0.67 0.00 0.00 178.83 174.24 1u81 h ASN 84 N 0.32 0.00 -4.00 1.46 -1.07 -1.40 -3.47 115.58 107.41 1u81 h ASN 84 Ca 0.10 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.94 1u81 h ASN 84 Cb 0.23 0.00 0.09 0.00 -2.07 0.00 0.00 38.32 36.57 1u81 h ASN 84 CO -0.00 0.62 0.55 -0.89 0.07 0.00 0.00 177.43 177.77 1u81 s THR 85 N -2.89 2.72 -0.01 6.14 2.01 0.17 -4.91 115.64 118.86 1u81 s THR 85 Ca -0.02 0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1u81 s THR 85 Cb 0.08 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1u81 s THR 85 CO 0.80 0.01 0.04 0.00 -0.69 0.00 0.00 174.62 174.79 1u81 n GLN 86 N -0.51 0.61 -1.17 4.92 1.13 -0.97 -4.93 117.38 116.46 1u81 n GLN 86 Ca 0.07 -0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 55.00 1u81 n GLN 86 Cb 0.46 -1.00 0.07 0.00 0.11 0.00 0.00 30.24 29.88 1u81 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u81 n GLY 87 N 2.28 -0.26 2.99 1.08 0.00 -0.50 -4.47 105.19 106.31 1u81 n GLY 87 Ca -0.00 -1.84 0.04 0.00 0.00 0.00 0.00 46.02 44.22 1u81 n GLY 87 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u81 s LEU 88 N 0.00 -0.13 -0.32 0.99 2.96 -1.25 -4.23 118.68 116.71 1u81 s LEU 88 Ca 0.31 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1u81 s LEU 88 Cb -0.01 0.75 0.06 0.00 0.50 0.00 0.00 46.19 47.49 1u81 s LEU 88 CO 0.21 -0.02 0.04 -0.63 -1.32 0.00 0.00 176.35 174.63 1u81 s ILE 89 N 2.63 3.08 -0.42 6.68 1.01 -1.17 0.12 121.20 133.14 1u81 s ILE 89 Ca 0.26 -1.48 -0.16 0.00 0.00 0.00 0.00 60.65 59.27 1u81 s ILE 89 Cb 0.02 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1u81 s ILE 89 CO -0.20 -0.20 0.35 0.12 0.00 0.00 0.00 174.94 175.00 1u81 s PHE 90 N 1.24 3.22 -0.45 3.97 5.36 0.17 0.40 117.98 131.89 1u81 s PHE 90 Ca -0.03 -0.55 -0.15 0.00 -0.96 0.00 0.00 56.93 55.24 1u81 s PHE 90 Cb -0.20 -2.73 0.06 0.00 -0.34 0.00 0.00 43.02 39.81 1u81 s PHE 90 CO -0.01 -0.64 0.37 0.08 -1.46 0.00 0.00 175.22 173.55 1u81 s VAL 91 N 1.82 5.23 -0.51 3.12 1.01 -0.18 0.19 120.40 131.08 1u81 s VAL 91 Ca 0.07 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1u81 s VAL 91 Cb -0.19 -4.06 0.11 0.00 0.00 0.00 0.00 36.38 32.24 1u81 s VAL 91 CO 0.11 -0.50 0.45 -0.69 0.00 0.00 0.00 175.10 174.47 1u81 s VAL 92 N 1.65 5.14 -0.73 2.92 1.01 -0.92 -4.26 120.40 125.20 1u81 s VAL 92 Ca 0.04 -1.38 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 1u81 s VAL 92 Cb -0.23 -4.23 -0.18 0.00 0.00 0.00 0.00 36.38 31.75 1u81 s VAL 92 CO 0.08 -0.77 1.94 -0.67 0.00 0.00 0.00 175.10 175.68 1u81 n ASP 93 N 5.21 -0.01 0.25 3.32 -0.08 -1.26 -4.05 116.55 119.92 1u81 n ASP 93 Ca -0.13 -1.50 0.14 0.00 -1.51 0.00 0.00 54.79 51.79 1u81 n ASP 93 Cb 0.41 -1.16 0.63 0.00 2.34 0.00 0.00 41.12 43.34 1u81 n ASP 93 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1u81 h SER 94 N 11.16 0.00 0.00 1.67 0.02 -1.59 -2.62 113.55 122.19 1u81 h SER 94 Ca 0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1u81 h SER 94 Cb 1.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1u81 h SER 94 CO 1.15 0.00 -0.32 -1.13 -1.14 0.00 0.00 176.83 175.39 1u81 h ASN 95 N 0.00 0.00 -0.21 3.07 -1.24 -1.77 -3.40 115.58 112.03 1u81 h ASN 95 Ca 0.07 -0.55 -0.30 0.00 0.71 0.00 0.00 56.30 56.24 1u81 h ASN 95 Cb 1.15 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.13 1u81 h ASN 95 CO -0.00 0.96 1.44 -0.67 -1.29 0.00 0.00 177.43 177.87 1u81 n ASP 96 N -4.61 -0.07 -0.88 1.15 -0.08 -0.99 -3.96 116.55 107.12 1u81 n ASP 96 Ca -0.12 -0.68 0.10 0.00 -1.51 0.00 0.00 54.79 52.57 1u81 n ASP 96 Cb 0.39 -0.97 0.14 0.00 2.34 0.00 0.00 41.12 43.02 1u81 n ASP 96 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1u81 n ARG 97 N 7.08 2.03 -0.03 -0.67 1.85 -1.26 -3.82 116.66 121.84 1u81 n ARG 97 Ca 0.60 -1.91 -0.22 0.00 -1.00 0.00 0.00 57.85 55.32 1u81 n ARG 97 Cb 0.23 -1.40 -0.13 0.00 -1.05 0.00 0.00 32.46 30.11 1u81 n ARG 97 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1u81 h GLU 98 N 3.66 0.18 -0.40 2.89 3.07 -1.99 -3.36 114.58 118.62 1u81 h GLU 98 Ca 0.00 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1u81 h GLU 98 Cb 0.83 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1u81 h GLU 98 CO 0.00 1.15 0.00 0.54 -1.40 0.00 0.00 179.01 179.30 1u81 n ARG 99 N -3.90 2.40 0.00 2.33 1.74 -1.26 -4.88 116.66 113.08 1u81 n ARG 99 Ca -0.30 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 54.63 1u81 n ARG 99 Cb 0.89 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 1u81 n ARG 99 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1u81 n VAL 100 N 1.12 0.00 1.59 1.55 3.14 -1.25 0.95 118.33 125.43 1u81 n VAL 100 Ca 0.16 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.68 1u81 n VAL 100 Cb 0.51 0.00 0.79 0.00 -1.06 0.00 0.00 33.84 34.08 1u81 n VAL 100 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1u81 n ASN 101 N -1.55 0.00 -0.20 6.55 6.94 -1.26 -3.70 115.26 122.04 1u81 n ASN 101 Ca 0.00 -0.56 0.10 0.00 -0.02 0.00 0.00 54.58 54.09 1u81 n ASN 101 Cb 0.00 -0.12 0.39 0.00 -2.36 0.00 0.00 39.78 37.69 1u81 n ASN 101 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1u81 h GLU 102 N 0.00 0.64 0.54 -3.83 4.81 0.16 -0.46 114.58 116.45 1u81 h GLU 102 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1u81 h GLU 102 Cb 0.11 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.35 1u81 h GLU 102 CO 0.00 0.43 -0.26 0.00 -0.73 0.00 0.00 179.01 178.44 1u81 h ALA 103 N 1.62 -0.73 -1.48 2.92 0.00 -1.81 -3.00 119.26 116.78 1u81 h ALA 103 Ca 0.36 -0.18 0.49 0.00 0.00 0.00 0.00 54.91 55.58 1u81 h ALA 103 Cb 0.50 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 1u81 h ALA 103 CO -0.13 -0.71 0.97 -0.09 0.00 0.00 0.00 179.25 179.29 1u81 h ARG 104 N -1.13 0.00 0.13 0.00 2.43 -1.60 0.25 114.38 114.47 1u81 h ARG 104 Ca -0.07 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1u81 h ARG 104 Cb 0.61 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1u81 h ARG 104 CO 0.12 0.00 -0.06 0.93 -1.51 0.00 0.00 179.97 179.45 1u81 h GLU 105 N 0.00 -0.17 0.75 0.20 4.39 -0.97 -0.50 114.58 118.28 1u81 h GLU 105 Ca 0.89 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.57 1u81 h GLU 105 Cb 2.99 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 31.69 1u81 h GLU 105 CO -0.40 0.15 -0.36 0.93 -1.16 0.00 0.00 179.01 178.17 1u81 h GLU 106 N -0.51 -0.98 -1.52 2.33 4.39 -0.74 -2.97 114.58 114.59 1u81 h GLU 106 Ca -0.02 0.07 0.50 0.00 0.34 0.00 0.00 59.36 60.25 1u81 h GLU 106 Cb 0.41 0.22 -0.13 0.00 -0.10 0.00 0.00 28.75 29.15 1u81 h GLU 106 CO 0.03 -0.63 1.00 1.25 -1.16 0.00 0.00 179.01 179.50 1u81 h LEU 107 N -1.19 0.16 -0.83 1.33 5.85 -0.67 -0.76 115.31 119.19 1u81 h LEU 107 Ca -0.10 0.12 0.29 0.00 0.84 0.00 0.00 57.88 59.04 1u81 h LEU 107 Cb 0.80 0.13 -0.15 0.00 0.37 0.00 0.00 40.66 41.80 1u81 h LEU 107 CO 0.17 -0.21 0.26 0.23 -0.34 0.00 0.00 178.44 178.55 1u81 n MET 108 N -4.57 -0.06 0.00 1.25 2.81 -0.20 -0.14 117.12 116.22 1u81 n MET 108 Ca 0.42 1.19 -0.18 0.00 -1.81 0.00 0.00 57.70 57.32 1u81 n MET 108 Cb 1.67 -2.02 -0.13 0.00 -0.71 0.00 0.00 33.22 32.03 1u81 n MET 108 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u81 h ARG 109 N 0.00 0.22 -0.00 0.03 -0.00 -1.33 -3.21 114.38 110.09 1u81 h ARG 109 Ca 0.61 -0.33 0.00 0.00 -0.50 0.00 0.00 59.98 59.77 1u81 h ARG 109 Cb 1.50 0.12 0.00 0.00 0.00 0.00 0.00 29.97 31.58 1u81 h ARG 109 CO -0.70 1.12 0.00 -1.33 0.00 0.00 0.00 179.97 179.06 1u81 n MET 110 N -4.31 0.01 -0.00 0.04 2.81 0.81 -3.16 117.12 113.31 1u81 n MET 110 Ca -0.12 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1u81 n MET 110 Cb 0.67 -1.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.18 1u81 n MET 110 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1u81 h LEU 111 N 0.37 0.00 -0.13 4.03 3.38 -1.44 -3.41 115.31 118.10 1u81 h LEU 111 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1u81 h LEU 111 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1u81 h LEU 111 CO 0.00 0.05 -0.99 0.00 0.09 0.00 0.00 178.44 177.59 1u81 h ALA 112 N -1.92 0.34 -0.47 1.53 0.00 -1.78 -3.47 119.26 113.49 1u81 h ALA 112 Ca 0.00 -0.75 -0.41 0.00 0.00 0.00 0.00 54.91 53.75 1u81 h ALA 112 Cb 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u81 h ALA 112 CO 0.00 0.88 0.29 0.39 0.00 0.00 0.00 179.25 180.81 1u81 n GLU 113 N -3.68 0.00 0.01 0.00 -0.58 -1.19 -4.88 120.64 110.31 1u81 n GLU 113 Ca -0.06 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.56 1u81 n GLU 113 Cb 0.87 -0.70 -0.09 0.00 -0.57 0.00 0.00 31.44 30.94 1u81 n GLU 113 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1u81 h ASP 114 N 2.24 -0.08 -0.89 1.62 5.19 -1.94 -3.32 116.42 119.24 1u81 h ASP 114 Ca -0.21 -0.52 0.33 0.00 -0.62 0.00 0.00 57.03 56.01 1u81 h ASP 114 Cb 0.64 0.02 -0.16 0.00 0.18 0.00 0.00 39.33 40.01 1u81 h ASP 114 CO 0.44 0.53 0.32 -0.62 -3.12 0.00 0.00 179.24 176.80 1u81 n GLU 115 N -4.84 -0.06 -2.59 3.56 -0.58 -1.26 -1.16 120.64 113.71 1u81 n GLU 115 Ca -0.08 1.26 -0.34 0.00 -0.42 0.00 0.00 57.16 57.58 1u81 n GLU 115 Cb 0.30 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 1u81 n GLU 115 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1u81 n LEU 116 N -5.10 6.02 0.00 -4.62 4.77 -1.25 -4.85 117.00 111.97 1u81 n LEU 116 Ca 0.29 -5.37 0.00 0.00 -0.03 0.00 0.00 56.01 50.91 1u81 n LEU 116 Cb 0.99 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1u81 n LEU 116 CO -0.02 2.13 0.10 0.54 -1.33 0.00 0.00 177.39 178.81 1u81 n ARG 117 N -0.27 0.00 0.02 3.23 5.12 -0.31 -4.38 116.66 120.07 1u81 n ARG 117 Ca 0.42 0.27 -0.01 0.00 -1.93 0.00 0.00 57.85 56.60 1u81 n ARG 117 Cb 0.36 -0.90 0.28 0.00 -1.16 0.00 0.00 32.46 31.04 1u81 n ARG 117 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1u81 h ASP 118 N 0.00 0.45 0.00 0.55 2.03 -1.89 -3.44 116.42 114.13 1u81 h ASP 118 Ca 0.00 -0.11 -0.31 0.00 -0.73 0.00 0.00 57.03 55.88 1u81 h ASP 118 Cb 0.00 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.36 1u81 h ASP 118 CO 0.00 0.60 0.61 0.00 -1.03 0.00 0.00 179.24 179.41 1u81 n ALA 119 N -2.48 0.10 -2.04 4.15 0.00 -1.26 -4.74 120.51 114.24 1u81 n ALA 119 Ca 0.01 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1u81 n ALA 119 Cb 0.30 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1u81 n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u81 s VAL 120 N 2.86 3.55 -0.15 0.00 1.01 -1.26 -4.82 120.40 121.58 1u81 s VAL 120 Ca 0.53 0.57 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1u81 s VAL 120 Cb -0.63 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1u81 s VAL 120 CO 0.27 -0.41 1.62 -0.22 0.00 0.00 0.00 175.10 176.36 1u81 s LEU 121 N 6.39 4.08 -0.80 3.92 2.96 -0.93 -3.78 118.68 130.54 1u81 s LEU 121 Ca 0.77 1.89 -0.15 0.00 -0.22 0.00 0.00 54.13 56.42 1u81 s LEU 121 Cb -0.23 -3.53 0.20 0.00 0.50 0.00 0.00 46.19 43.13 1u81 s LEU 121 CO 0.33 -1.10 0.77 -0.22 -1.32 0.00 0.00 176.35 174.81 1u81 s LEU 122 N 4.66 6.50 -1.10 -0.68 2.96 0.33 -1.17 118.68 130.18 1u81 s LEU 122 Ca 0.72 -2.49 -0.22 0.00 -0.22 0.00 0.00 54.13 51.91 1u81 s LEU 122 Cb -0.28 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.20 1u81 s LEU 122 CO 0.28 -0.67 1.66 -0.69 -1.32 0.00 0.00 176.35 175.61 1u81 s VAL 123 N 0.63 3.87 -0.88 1.68 1.01 0.24 0.42 120.40 127.36 1u81 s VAL 123 Ca 0.17 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 1u81 s VAL 123 Cb -0.12 -4.89 0.03 0.00 0.00 0.00 0.00 36.38 31.39 1u81 s VAL 123 CO -0.07 -1.72 1.48 -0.36 0.00 0.00 0.00 175.10 174.42 1u81 s PHE 124 N 6.14 2.30 -1.23 5.22 0.08 0.13 -3.93 117.98 126.69 1u81 s PHE 124 Ca 0.54 -0.30 -0.10 0.00 0.12 0.00 0.00 56.93 57.20 1u81 s PHE 124 Cb 0.00 -4.56 0.19 0.00 -0.57 0.00 0.00 43.02 38.08 1u81 s PHE 124 CO -0.01 -1.99 1.71 0.00 -0.10 0.00 0.00 175.22 174.83 1u81 n ALA 125 N 9.89 5.00 -2.38 5.36 0.00 -1.26 -2.17 120.51 134.95 1u81 n ALA 125 Ca 0.23 -4.38 -0.28 0.00 0.00 0.00 0.00 53.44 49.01 1u81 n ALA 125 Cb 0.50 -2.90 -0.02 0.00 0.00 0.00 0.00 19.45 17.04 1u81 n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1u81 s ASN 126 N 0.93 6.38 0.00 0.00 2.47 -1.26 -4.03 114.94 119.43 1u81 s ASN 126 Ca 0.39 0.84 0.00 0.00 0.42 0.00 0.00 52.86 54.51 1u81 s ASN 126 Cb 0.06 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 1u81 s ASN 126 CO 0.01 -0.38 0.00 0.29 -3.72 0.00 0.00 177.10 173.30 1u81 n LYS 127 N -1.57 0.00 -0.05 0.43 5.02 -1.26 -1.85 118.16 118.89 1u81 n LYS 127 Ca -0.00 0.21 -0.12 0.00 -2.02 0.00 0.00 58.31 56.38 1u81 n LYS 127 Cb 0.55 -3.38 -0.10 0.00 -0.02 0.00 0.00 35.03 32.08 1u81 n LYS 127 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1u81 h GLN 128 N 0.00 -0.02 0.00 1.97 -0.00 -1.87 -3.19 115.11 111.99 1u81 h GLN 128 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1u81 h GLN 128 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.97 1u81 h GLN 128 CO 0.00 0.73 0.00 -0.40 0.00 0.00 0.00 178.83 179.16 1u81 n ASP 129 N -4.70 0.00 -4.70 -0.69 5.75 -1.26 -4.71 116.55 106.24 1u81 n ASP 129 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.27 1u81 n ASP 129 Cb 0.37 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 1u81 n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1u81 s LEU 130 N -1.55 4.33 0.46 -2.12 1.43 -1.23 -4.95 118.68 115.04 1u81 s LEU 130 Ca 0.00 1.65 0.22 0.00 -1.03 0.00 0.00 54.13 54.97 1u81 s LEU 130 Cb 0.00 -3.57 1.21 0.00 0.03 0.00 0.00 46.19 43.87 1u81 s LEU 130 CO 0.00 -0.35 1.89 -0.65 0.23 0.00 0.00 176.35 177.47 1u81 h PRO 131 N 6.92 0.25 0.30 1.29 0.11 -1.93 -2.79 132.00 136.16 1u81 h PRO 131 Ca -0.38 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1u81 h PRO 131 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1u81 h PRO 131 CO 0.79 0.17 -0.15 -0.97 -0.21 0.00 0.00 178.00 177.63 1u81 h ASN 132 N 0.26 -0.35 -1.37 -2.05 -1.24 -1.94 -3.46 115.58 105.43 1u81 h ASN 132 Ca 0.42 -0.17 -0.46 0.00 0.71 0.00 0.00 56.30 56.80 1u81 h ASN 132 Cb 1.24 0.09 0.22 0.00 0.73 0.00 0.00 38.32 40.60 1u81 h ASN 132 CO -0.11 0.12 -1.96 0.00 -1.29 0.00 0.00 177.43 174.19 1u81 n ALA 133 N -2.61 -5.12 -0.93 1.57 0.00 -1.05 -4.85 120.51 107.52 1u81 n ALA 133 Ca -0.08 -0.86 -0.33 0.00 0.00 0.00 0.00 53.44 52.17 1u81 n ALA 133 Cb 0.25 -0.86 0.14 0.00 0.00 0.00 0.00 19.45 18.98 1u81 n ALA 133 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1u81 n MET 134 N 2.18 -0.09 -0.65 0.00 2.81 -1.26 -4.93 117.12 115.18 1u81 n MET 134 Ca -0.02 0.05 -0.31 0.00 -1.81 0.00 0.00 57.70 55.61 1u81 n MET 134 Cb 0.56 -2.31 0.18 0.00 -0.71 0.00 0.00 33.22 30.95 1u81 n MET 134 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1u81 n ASN 135 N -3.17 -1.85 -0.27 7.83 0.23 -1.26 -4.56 115.26 112.22 1u81 n ASN 135 Ca 0.12 0.03 0.05 0.00 -0.53 0.00 0.00 54.58 54.24 1u81 n ASN 135 Cb 0.51 -1.15 0.14 0.00 -2.08 0.00 0.00 39.78 37.20 1u81 n ASN 135 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u81 h ALA 136 N -2.10 0.71 0.10 -2.53 0.00 -1.91 -1.97 119.26 111.56 1u81 h ALA 136 Ca -0.52 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1u81 h ALA 136 Cb 1.33 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1u81 h ALA 136 CO 0.40 -0.43 -0.05 0.00 0.00 0.00 0.00 179.25 179.17 1u81 h ALA 137 N 1.75 -0.14 0.00 0.00 0.00 -2.02 -3.14 119.26 115.72 1u81 h ALA 137 Ca 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1u81 h ALA 137 Cb 0.70 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1u81 h ALA 137 CO -0.74 -0.22 0.00 -0.85 0.00 0.00 0.00 179.25 177.45 1u81 n GLU 138 N -4.85 0.26 -0.03 0.00 0.28 -1.15 -2.82 120.64 112.33 1u81 n GLU 138 Ca -0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.84 1u81 n GLU 138 Cb 0.28 -1.42 -0.03 0.00 1.43 0.00 0.00 31.44 31.70 1u81 n GLU 138 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1u81 h ILE 139 N 0.00 0.87 -0.58 3.84 1.08 -1.30 -1.56 117.51 119.86 1u81 h ILE 139 Ca 0.00 -0.02 -0.22 0.00 -0.39 0.00 0.00 64.86 64.24 1u81 h ILE 139 Cb 0.00 0.81 -0.13 0.00 -3.07 0.00 0.00 36.82 34.43 1u81 h ILE 139 CO 0.00 0.01 0.27 0.41 -0.69 0.00 0.00 178.15 178.15 1u81 n THR 140 N -5.14 2.29 0.00 -0.27 -1.04 -1.13 -4.38 114.28 104.63 1u81 n THR 140 Ca -0.03 -1.19 0.00 0.00 -2.04 0.00 0.00 64.05 60.79 1u81 n THR 140 Cb 0.10 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 1u81 n THR 140 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1u81 n ASP 141 N -0.21 0.00 0.00 8.00 2.03 -0.59 -3.62 116.55 122.15 1u81 n ASP 141 Ca 0.33 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1u81 n ASP 141 Cb 1.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 1u81 n ASP 141 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1u81 n LYS 142 N -0.53 0.00 -0.00 -0.67 4.76 -1.18 0.95 118.16 121.49 1u81 n LYS 142 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1u81 n LYS 142 Cb 0.00 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 31.31 1u81 n LYS 142 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1u81 h LEU 143 N 0.00 0.17 0.00 -0.35 3.38 -1.81 -3.46 115.31 113.24 1u81 h LEU 143 Ca 0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1u81 h LEU 143 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1u81 h LEU 143 CO 0.00 1.30 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1u81 n GLY 144 N 1.69 0.71 0.37 0.83 0.00 0.27 -4.91 105.19 104.15 1u81 n GLY 144 Ca -0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.92 1u81 n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u81 n LEU 145 N 0.00 1.10 -0.01 0.99 4.77 -1.26 -2.40 117.00 120.19 1u81 n LEU 145 Ca 0.00 -0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 55.41 1u81 n LEU 145 Cb 0.00 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 1u81 n LEU 145 CO 0.00 0.23 -0.57 -0.74 -1.33 0.00 0.00 177.39 174.98 1u81 h HIS 146 N 1.49 0.14 0.00 -1.77 2.76 -1.86 -3.40 115.15 112.51 1u81 h HIS 146 Ca 0.00 -0.10 -0.30 0.00 -2.20 0.00 0.00 60.37 57.76 1u81 h HIS 146 Cb 0.33 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.22 1u81 h HIS 146 CO 0.06 1.21 -2.15 -1.13 -1.30 0.00 0.00 177.93 174.62 1u81 n SER 147 N -3.18 1.73 -4.59 3.26 3.41 -1.24 -4.92 113.62 108.10 1u81 n SER 147 Ca -0.20 -0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 1u81 n SER 147 Cb 1.05 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 1u81 n SER 147 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u81 s LEU 148 N -5.73 3.44 0.00 1.04 1.43 -1.01 -4.94 118.68 112.91 1u81 s LEU 148 Ca -0.19 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1u81 s LEU 148 Cb 0.06 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1u81 s LEU 148 CO 0.57 -2.06 0.00 0.54 0.23 0.00 0.00 176.35 175.63 1u81 n ARG 149 N 8.73 1.99 0.00 1.70 5.12 -1.26 -4.82 116.66 128.11 1u81 n ARG 149 Ca 0.28 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 1u81 n ARG 149 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 1u81 n ARG 149 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1u81 n HIS 150 N 0.00 0.00 -1.77 -1.55 8.25 -1.26 -4.92 115.22 113.96 1u81 n HIS 150 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1u81 n HIS 150 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 1u81 n HIS 150 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1u81 s ARG 151 N 0.00 3.26 -0.15 -0.41 3.52 -1.26 -4.92 118.95 118.99 1u81 s ARG 151 Ca 0.00 2.29 -0.29 0.00 -0.13 0.00 0.00 55.73 57.60 1u81 s ARG 151 Cb 0.00 -2.35 -0.02 0.00 -1.56 0.00 0.00 34.95 31.02 1u81 s ARG 151 CO 0.00 -1.11 1.36 1.21 -0.81 0.00 0.00 175.30 175.95 1u81 s ASN 152 N -0.83 6.85 0.37 -2.12 3.84 -1.26 -4.97 114.94 116.83 1u81 s ASN 152 Ca 0.69 1.79 -0.10 0.00 0.21 0.00 0.00 52.86 55.46 1u81 s ASN 152 Cb -0.42 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 37.79 1u81 s ASN 152 CO 0.50 -0.83 0.67 -2.67 -2.79 0.00 0.00 177.10 171.99 1u81 n TRP 153 N 6.83 -2.03 -3.64 0.43 4.27 -1.26 -2.18 117.44 119.86 1u81 n TRP 153 Ca 0.15 -2.02 -0.05 0.00 -3.89 0.00 0.00 57.50 51.69 1u81 n TRP 153 Cb 0.44 0.78 -0.07 0.00 -1.36 0.00 0.00 31.31 31.11 1u81 n TRP 153 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1u81 s TYR 154 N -2.53 -0.33 -0.14 -2.67 5.04 -0.32 -4.83 117.35 111.57 1u81 s TYR 154 Ca 0.20 0.76 -0.05 0.00 -2.44 0.00 0.00 57.07 55.55 1u81 s TYR 154 Cb -0.03 0.36 0.07 0.00 0.35 0.00 0.00 41.96 42.71 1u81 s TYR 154 CO 0.15 -0.16 0.27 -1.50 -1.34 0.00 0.00 175.55 172.97 1u81 s ILE 155 N 0.47 -0.42 0.14 3.14 2.07 -1.26 0.81 121.20 126.14 1u81 s ILE 155 Ca 0.01 0.24 0.03 0.00 -1.41 0.00 0.00 60.65 59.51 1u81 s ILE 155 Cb -0.04 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 1u81 s ILE 155 CO -0.11 0.09 -0.05 -1.58 -1.91 0.00 0.00 174.94 171.37 1u81 s GLN 156 N 2.42 1.00 -0.06 3.50 2.00 -1.25 -5.05 119.66 122.23 1u81 s GLN 156 Ca 0.02 -1.44 -0.29 0.00 -2.00 0.00 0.00 55.36 51.64 1u81 s GLN 156 Cb -0.12 -0.37 -0.07 0.00 0.80 0.00 0.00 33.01 33.25 1u81 s GLN 156 CO -0.09 -0.02 2.00 0.00 -0.50 0.00 0.00 175.29 176.68 1u81 s ALA 157 N -3.53 3.31 -0.24 1.58 0.00 -1.26 -4.05 121.76 117.56 1u81 s ALA 157 Ca 0.17 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 1u81 s ALA 157 Cb 0.05 -3.91 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 1u81 s ALA 157 CO -0.00 -1.95 0.01 0.95 0.00 0.00 0.00 175.76 174.77 1u81 s THR 158 N 5.62 3.74 -0.44 0.00 -4.23 -1.26 -3.10 115.64 115.97 1u81 s THR 158 Ca 0.90 -0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.99 1u81 s THR 158 Cb -0.38 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 70.81 1u81 s THR 158 CO 0.38 0.33 0.17 0.00 -0.54 0.00 0.00 174.62 174.97 1u81 h ALA 160 N 7.16 0.67 -0.24 0.00 0.00 -1.88 0.14 119.26 125.11 1u81 h ALA 160 Ca -0.06 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1u81 h ALA 160 Cb 0.97 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1u81 h ALA 160 CO 0.62 0.47 -0.34 1.79 0.00 0.00 0.00 179.25 181.79 1u81 h THR 161 N 0.74 0.00 0.04 0.00 1.35 -1.93 -3.03 112.91 110.08 1u81 h THR 161 Ca 0.14 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1u81 h THR 161 Cb 0.50 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1u81 h THR 161 CO 0.02 0.00 -0.02 0.77 -0.25 0.00 0.00 175.52 176.04 1u81 h SER 162 N -0.25 -0.05 0.00 5.36 4.64 -2.00 -3.48 113.55 117.77 1u81 h SER 162 Ca 0.04 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1u81 h SER 162 Cb 0.36 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1u81 h SER 162 CO -0.35 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1u81 n GLY 163 N 0.20 1.29 3.49 -0.77 0.00 0.41 -5.13 105.19 104.69 1u81 n GLY 163 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1u81 n GLY 163 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u81 n ASP 164 N 0.00 -1.29 0.00 1.61 2.03 -0.71 -2.79 116.55 115.41 1u81 n ASP 164 Ca 0.00 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1u81 n ASP 164 Cb 0.00 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 1u81 n ASP 164 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u81 n GLY 165 N 1.10 1.12 0.22 0.27 0.00 -1.18 -0.63 105.19 106.09 1u81 n GLY 165 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1u81 n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u81 h LEU 166 N 0.00 0.67 0.36 0.99 3.38 -1.80 -2.73 115.31 116.18 1u81 h LEU 166 Ca 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1u81 h LEU 166 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1u81 h LEU 166 CO 0.00 0.69 -0.20 0.22 0.09 0.00 0.00 178.44 179.24 1u81 h TYR 167 N 0.62 -0.53 -1.01 1.13 5.03 -1.84 -1.11 116.97 119.26 1u81 h TYR 167 Ca 0.15 -0.01 0.25 0.00 2.58 0.00 0.00 58.73 61.70 1u81 h TYR 167 Cb 0.25 0.18 -0.12 0.00 1.55 0.00 0.00 36.73 38.60 1u81 h TYR 167 CO 0.01 -0.31 0.62 0.93 -1.32 0.00 0.00 178.16 178.09 1u81 h GLU 168 N -0.52 0.53 0.65 1.82 3.07 -1.94 -1.48 114.58 116.71 1u81 h GLU 168 Ca -0.05 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 1u81 h GLU 168 Cb 0.41 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1u81 h GLU 168 CO 0.06 0.35 -0.31 0.78 -1.40 0.00 0.00 179.01 178.49 1u81 h GLY 169 N 0.55 -0.91 0.77 -3.84 0.00 -1.31 -1.88 103.07 96.46 1u81 h GLY 169 Ca 0.63 0.34 0.03 0.00 0.00 0.00 0.00 47.33 48.32 1u81 h GLY 169 CO -0.42 -0.33 0.12 1.41 0.00 0.00 0.00 176.54 177.32 1u81 h LEU 170 N -1.13 0.15 0.34 3.11 3.38 -0.71 -1.60 115.31 118.84 1u81 h LEU 170 Ca -0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1u81 h LEU 170 Cb 0.70 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1u81 h LEU 170 CO 0.15 0.12 -0.17 -0.78 0.09 0.00 0.00 178.44 177.85 1u81 h ASP 171 N 0.26 -0.40 -0.33 -0.43 3.58 -1.37 -1.12 116.42 116.62 1u81 h ASP 171 Ca 0.13 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.67 1u81 h ASP 171 Cb 0.09 0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 1u81 h ASP 171 CO -0.13 -0.28 -0.09 -0.25 -2.88 0.00 0.00 179.24 175.61 1u81 h TRP 172 N -0.47 -0.20 0.54 0.28 7.01 -1.20 -0.89 115.95 121.01 1u81 h TRP 172 Ca -0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1u81 h TRP 172 Cb 0.36 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1u81 h TRP 172 CO -0.06 -0.15 -0.47 1.25 -2.79 0.00 0.00 178.44 176.22 1u81 h LEU 173 N -0.02 -1.25 -0.45 0.65 5.85 -1.17 0.28 115.31 119.21 1u81 h LEU 173 Ca 0.16 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.05 1u81 h LEU 173 Cb 0.26 0.40 -0.09 0.00 0.37 0.00 0.00 40.66 41.60 1u81 h LEU 173 CO -0.34 -0.65 -0.44 -1.28 -0.34 0.00 0.00 178.44 175.39 1u81 h SER 174 N -0.99 -1.47 0.04 1.25 0.87 -0.83 -1.11 113.55 111.31 1u81 h SER 174 Ca -0.06 0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1u81 h SER 174 Cb 0.85 0.65 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 1u81 h SER 174 CO -0.02 -0.36 -0.14 0.78 -0.53 0.00 0.00 176.83 176.55 1u81 h ASN 175 N -0.31 -0.40 0.15 6.23 2.35 -1.03 -2.47 115.58 120.10 1u81 h ASN 175 Ca 0.14 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1u81 h ASN 175 Cb 0.58 0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.07 1u81 h ASN 175 CO -0.60 -0.20 -0.40 1.56 -1.65 0.00 0.00 177.43 176.13 1u81 h GLN 176 N -0.25 -0.63 -0.04 0.81 1.08 -0.27 0.21 115.11 116.02 1u81 h GLN 176 Ca 0.04 0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1u81 h GLN 176 Cb 0.30 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.82 1u81 h GLN 176 CO -0.11 -0.42 -0.23 -0.07 -0.95 0.00 0.00 178.83 177.05 1u81 h LEU 177 N -0.66 -0.68 -0.96 1.46 3.38 -1.17 0.68 115.31 117.36 1u81 h LEU 177 Ca 0.02 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1u81 h LEU 177 Cb 0.67 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1u81 h LEU 177 CO -0.21 -0.29 0.11 -0.09 0.09 0.00 0.00 178.44 178.05 1u81 h ARG 178 N -0.33 0.87 0.21 1.13 2.43 -1.25 -3.14 114.38 114.29 1u81 h ARG 178 Ca 0.07 -0.19 -0.32 0.00 -0.81 0.00 0.00 59.98 58.74 1u81 h ARG 178 Cb 0.44 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1u81 h ARG 178 CO -0.23 0.79 -1.40 -0.91 -1.51 0.00 0.00 179.97 176.71 1u81 h ASN 179 N 0.83 0.72 -0.94 -3.80 2.35 -0.00 -3.34 115.58 111.39 1u81 h ASN 179 Ca 0.18 -0.76 0.12 0.00 -0.55 0.00 0.00 56.30 55.29 1u81 h ASN 179 Cb 0.34 -0.23 -0.08 0.00 0.05 0.00 0.00 38.32 38.40 1u81 h ASN 179 CO 0.00 1.59 0.60 1.56 -1.65 0.00 0.00 177.43 179.54 1u81 h GLN 180 N 0.13 0.85 -0.02 0.81 4.20 0.41 -3.50 115.11 117.98 1u81 h GLN 180 Ca -0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1u81 h GLN 180 Cb 2.10 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.69 1u81 h GLN 180 CO 0.25 0.56 0.00 1.63 -0.67 0.00 0.00 178.83 180.60