#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 3.17 -0.11 3.17 3.52 -1.26 -0.90 118.95 126.54 1u81 s ARG 19 Ca 0.00 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.79 1u81 s ARG 19 Cb 0.00 -2.43 0.03 0.00 -1.56 0.00 0.00 34.95 30.98 1u81 s ARG 19 CO 0.00 0.18 -0.05 0.42 -0.81 0.00 0.00 175.30 175.04 1u81 s ILE 20 N 0.38 0.85 -0.90 4.11 1.09 -0.58 0.31 121.20 126.45 1u81 s ILE 20 Ca -0.15 -0.22 -0.24 0.00 -1.10 0.00 0.00 60.65 58.94 1u81 s ILE 20 Cb -0.17 -0.93 0.02 0.00 -1.06 0.00 0.00 42.46 40.31 1u81 s ILE 20 CO 0.07 0.30 1.58 -0.76 -0.10 0.00 0.00 174.94 176.03 1u81 s LEU 21 N 1.78 3.34 -1.29 2.97 1.43 -1.26 -4.09 118.68 121.56 1u81 s LEU 21 Ca 0.04 -0.92 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 1u81 s LEU 21 Cb -0.13 -2.56 0.10 0.00 0.03 0.00 0.00 46.19 43.63 1u81 s LEU 21 CO -0.07 -1.94 1.72 0.80 0.23 0.00 0.00 176.35 177.09 1u81 n MET 22 N 9.00 3.24 -3.09 1.70 1.56 -1.26 -0.19 117.12 128.08 1u81 n MET 22 Ca 0.28 -3.38 -0.26 0.00 -0.27 0.00 0.00 57.70 54.07 1u81 n MET 22 Cb 0.50 -3.30 -0.01 0.00 2.15 0.00 0.00 33.22 32.56 1u81 n MET 22 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1u81 s VAL 23 N 3.03 5.00 0.00 1.12 -7.23 0.19 -4.75 120.40 117.76 1u81 s VAL 23 Ca 0.49 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1u81 s VAL 23 Cb 0.04 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1u81 s VAL 23 CO 0.03 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.83 1u81 n GLY 24 N -1.72 0.74 0.00 2.32 0.00 -1.26 -1.04 105.19 104.23 1u81 n GLY 24 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1u81 n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u81 n LEU 25 N 0.00 0.00 -4.90 0.99 4.77 -1.26 -4.33 117.00 112.27 1u81 n LEU 25 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1u81 n LEU 25 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1u81 n LEU 25 CO 0.00 -0.09 0.68 1.51 -1.33 0.00 0.00 177.39 178.16 1u81 s ASP 26 N -1.28 5.42 -0.01 -1.43 -4.77 -1.26 -3.99 116.67 109.36 1u81 s ASP 26 Ca 0.00 0.96 -0.00 0.00 -3.30 0.00 0.00 52.55 50.21 1u81 s ASP 26 Cb 0.00 -1.80 0.00 0.00 -1.09 0.00 0.00 42.92 40.04 1u81 s ASP 26 CO 0.00 -1.29 0.00 0.00 0.70 0.00 0.00 175.17 174.58 1u81 n ALA 27 N -2.89 -0.53 0.04 2.11 0.00 -1.26 -4.74 120.51 113.25 1u81 n ALA 27 Ca 0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1u81 n ALA 27 Cb 0.58 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 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 1.47 -0.17 0.00 0.00 0.00 -1.91 -3.48 119.26 115.18 1u81 h ALA 28 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1u81 h ALA 28 Cb 0.53 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1u81 h ALA 28 CO 0.01 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.38 1u81 n GLY 29 N 0.52 -0.61 0.15 0.00 0.00 -1.26 -4.81 105.19 99.18 1u81 n GLY 29 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 0.12 0.00 1.61 1.57 -1.92 -1.35 116.57 116.60 1u81 h LYS 30 Ca 0.00 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1u81 h LYS 30 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1u81 h LYS 30 CO 0.00 0.08 -0.43 1.15 -0.57 0.00 0.00 179.45 179.68 1u81 h THR 31 N 0.13 1.24 0.59 -0.16 2.02 -1.98 -2.69 112.91 112.05 1u81 h THR 31 Ca 0.17 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.80 1u81 h THR 31 Cb 0.22 1.83 0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1u81 h THR 31 CO -0.26 0.43 -0.28 0.74 0.37 0.00 0.00 175.52 176.51 1u81 h THR 32 N 0.00 0.00 -0.87 3.16 2.02 -1.78 0.29 112.91 115.73 1u81 h THR 32 Ca -0.00 -0.34 0.22 0.00 0.77 0.00 0.00 66.41 67.05 1u81 h THR 32 Cb 0.80 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.05 1u81 h THR 32 CO 0.06 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.36 1u81 h ILE 33 N -1.13 0.19 -0.61 3.11 2.04 -1.29 0.70 117.51 120.52 1u81 h ILE 33 Ca -0.08 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 1u81 h ILE 33 Cb 0.60 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1u81 h ILE 33 CO 0.13 0.01 0.13 -0.07 0.00 0.00 0.00 178.15 178.35 1u81 h LEU 34 N 0.07 0.95 -1.91 1.44 3.38 -1.41 -1.75 115.31 116.08 1u81 h LEU 34 Ca 0.50 -0.25 0.20 0.00 0.09 0.00 0.00 57.88 58.42 1u81 h LEU 34 Cb 0.95 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1u81 h LEU 34 CO -0.79 0.95 0.52 0.22 0.09 0.00 0.00 178.44 179.43 1u81 h TYR 35 N 0.91 0.10 0.00 1.13 3.20 0.42 0.46 116.97 123.19 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 0.39 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1u81 h TYR 35 CO 0.03 0.03 -0.00 0.87 -1.64 0.00 0.00 178.16 177.45 1u81 h LYS 36 N 0.08 0.00 -0.93 1.82 1.79 -0.63 -3.35 116.57 115.35 1u81 h LYS 36 Ca 0.35 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 59.09 1u81 h LYS 36 Cb 1.28 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.79 1u81 h LYS 36 CO -0.03 0.00 0.38 -0.07 -1.08 0.00 0.00 179.45 178.65 1u81 h LEU 37 N -0.99 0.24 -2.44 2.94 3.38 -0.75 -3.46 115.31 114.22 1u81 h LEU 37 Ca 0.00 0.19 -0.25 0.00 0.09 0.00 0.00 57.88 57.91 1u81 h LEU 37 Cb 0.00 0.20 0.20 0.00 0.09 0.00 0.00 40.66 41.15 1u81 h LEU 37 CO 0.00 -0.13 -0.86 0.29 0.09 0.00 0.00 178.44 177.83 1u81 n LYS 38 N -5.14 -2.28 -0.17 1.13 5.02 0.15 -4.88 118.16 111.99 1u81 n LYS 38 Ca 0.26 0.87 -0.01 0.00 -2.02 0.00 0.00 58.31 57.41 1u81 n LYS 38 Cb 0.80 -5.84 0.05 0.00 -0.02 0.00 0.00 35.03 30.02 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 -3.24 2.48 0.00 -0.35 4.77 -1.26 -4.94 117.00 114.46 1u81 n LEU 39 Ca -0.07 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 1u81 n LEU 39 Cb 0.62 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1u81 n LEU 39 CO 0.59 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1u81 n GLY 40 N 0.15 -1.28 1.75 -0.72 0.00 -1.26 -4.86 105.19 98.98 1u81 n GLY 40 Ca 0.07 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.19 0.00 -2.78 1.61 1.02 -1.26 -4.79 120.64 114.26 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 -0.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.68 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 1.15 4.83 -0.85 -3.67 1.01 -1.26 -4.98 121.20 117.43 1u81 s ILE 42 Ca 0.48 1.88 -0.25 0.00 0.00 0.00 0.00 60.65 62.76 1u81 s ILE 42 Cb -0.69 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 37.57 1u81 s ILE 42 CO 0.37 0.03 1.40 -0.69 0.00 0.00 0.00 174.94 176.04 1u81 s VAL 43 N 1.97 3.77 -1.26 2.92 1.01 -1.26 -4.92 120.40 122.63 1u81 s VAL 43 Ca 0.44 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 1u81 s VAL 43 Cb -0.18 -4.90 0.14 0.00 0.00 0.00 0.00 36.38 31.44 1u81 s VAL 43 CO 0.16 -1.82 1.64 0.41 0.00 0.00 0.00 175.10 175.50 1u81 n THR 44 N 6.68 4.15 -0.83 3.92 -1.04 -1.26 -4.13 114.28 121.77 1u81 n THR 44 Ca 0.17 -4.41 -0.31 0.00 -2.04 0.00 0.00 64.05 57.46 1u81 n THR 44 Cb 0.50 -2.43 0.27 0.00 -1.82 0.00 0.00 70.33 66.84 1u81 n THR 44 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1u81 s THR 45 N 1.99 1.38 -0.50 12.58 -4.23 -1.23 -4.90 115.64 120.73 1u81 s THR 45 Ca 0.45 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 1u81 s THR 45 Cb 0.02 -2.35 0.13 0.00 1.34 0.00 0.00 72.50 71.64 1u81 s THR 45 CO 0.01 0.00 0.24 -0.63 -0.54 0.00 0.00 174.62 173.71 1u81 s ILE 46 N -2.76 2.37 0.00 2.99 1.01 -1.26 -3.74 121.20 119.81 1u81 s ILE 46 Ca 0.71 -3.14 0.00 0.00 0.00 0.00 0.00 60.65 58.22 1u81 s ILE 46 Cb -0.09 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.72 1u81 s ILE 46 CO 0.56 -0.80 0.60 -2.65 0.00 0.00 0.00 174.94 172.65 1u81 n PRO 47 N 3.25 0.00 -4.80 2.79 -0.02 -1.16 -4.80 135.00 130.26 1u81 n PRO 47 Ca 0.05 0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 61.34 1u81 n PRO 47 Cb 0.33 -1.10 -0.13 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.38 3.16 -0.37 3.45 -4.23 -1.05 -4.98 115.64 110.24 1u81 s THR 48 Ca 0.00 -0.66 -0.09 0.00 -1.18 0.00 0.00 61.69 59.76 1u81 s THR 48 Cb 0.00 -2.28 -0.09 0.00 1.34 0.00 0.00 72.50 71.46 1u81 s THR 48 CO 0.00 0.57 0.92 -0.38 -0.54 0.00 0.00 174.62 175.19 1u81 n ILE 49 N 2.76 0.00 0.00 2.99 -0.00 -1.26 0.18 119.36 124.03 1u81 n ILE 49 Ca -0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 1u81 n ILE 49 Cb 0.52 -0.12 0.00 0.00 -0.00 0.00 0.00 39.64 40.04 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 2.26 3.09 3.54 7.39 0.00 -1.26 -4.93 105.19 115.29 1u81 n GLY 50 Ca 0.24 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.57 2.64 -0.03 1.61 5.36 0.48 -5.02 117.98 122.45 1u81 s PHE 51 Ca 0.00 0.12 -0.09 0.00 -0.96 0.00 0.00 56.93 56.00 1u81 s PHE 51 Cb 0.00 -4.34 -0.05 0.00 -0.34 0.00 0.00 43.02 38.29 1u81 s PHE 51 CO 0.00 -1.56 0.26 -0.80 -1.46 0.00 0.00 175.22 171.66 1u81 s ASN 52 N 3.06 6.53 -0.03 6.13 -0.87 -1.26 -2.52 114.94 125.99 1u81 s ASN 52 Ca 0.35 0.63 0.02 0.00 -1.57 0.00 0.00 52.86 52.29 1u81 s ASN 52 Cb -0.10 -2.12 0.00 0.00 -0.02 0.00 0.00 41.25 39.01 1u81 s ASN 52 CO 0.21 0.32 -0.09 -0.69 -2.57 0.00 0.00 177.10 174.28 1u81 s VAL 53 N -1.16 0.77 -0.93 1.60 1.01 -1.25 -4.41 120.40 116.03 1u81 s VAL 53 Ca 0.23 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1u81 s VAL 53 Cb -0.14 -0.69 0.24 0.00 0.00 0.00 0.00 36.38 35.80 1u81 s VAL 53 CO 0.11 0.24 0.87 -1.61 0.00 0.00 0.00 175.10 174.72 1u81 s GLU 54 N 0.20 3.71 -0.22 2.72 2.02 -1.03 -3.58 118.70 122.53 1u81 s GLU 54 Ca -0.03 -2.85 -0.29 0.00 0.02 0.00 0.00 54.97 51.82 1u81 s GLU 54 Cb -0.08 -4.37 -0.33 0.00 0.10 0.00 0.00 34.13 29.45 1u81 s GLU 54 CO 0.00 -1.26 1.69 2.41 0.02 0.00 0.00 175.26 178.12 1u81 n THR 55 N 3.26 0.34 -1.02 3.63 -1.04 -1.26 -2.22 114.28 115.97 1u81 n THR 55 Ca 0.18 -0.30 -0.24 0.00 -2.04 0.00 0.00 64.05 61.65 1u81 n THR 55 Cb 0.42 -2.06 -0.08 0.00 -1.82 0.00 0.00 70.33 66.80 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 6.98 3.26 -4.02 12.58 0.31 -0.59 -4.79 118.33 132.05 1u81 n VAL 56 Ca 0.47 -1.83 -0.34 0.00 -0.01 0.00 0.00 64.34 62.63 1u81 n VAL 56 Cb 0.42 -2.24 -0.15 0.00 -0.91 0.00 0.00 33.84 30.96 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 2.00 2.78 -0.28 5.55 2.02 -1.26 0.13 118.70 129.64 1u81 s GLU 57 Ca 0.60 -1.00 -0.19 0.00 0.02 0.00 0.00 54.97 54.40 1u81 s GLU 57 Cb 0.21 -2.86 0.12 0.00 0.10 0.00 0.00 34.13 31.70 1u81 s GLU 57 CO -0.03 -0.37 0.90 -0.47 0.02 0.00 0.00 175.26 175.31 1u81 s TYR 58 N 1.28 -0.68 0.00 1.61 5.04 -0.43 -4.96 117.35 119.21 1u81 s TYR 58 Ca -0.00 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1u81 s TYR 58 Cb -0.16 0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.56 1u81 s TYR 58 CO -0.07 -0.33 0.00 1.63 -1.34 0.00 0.00 175.55 175.44 1u81 n LYS 59 N 3.33 0.00 0.08 4.97 5.02 -1.26 -3.42 118.16 126.88 1u81 n LYS 59 Ca -0.17 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.08 1u81 n LYS 59 Cb 0.57 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.75 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 9.36 0.27 -3.18 4.39 -1.07 -2.00 -3.37 115.58 119.97 1u81 h ASN 60 Ca 0.00 -0.14 -0.58 0.00 0.07 0.00 0.00 56.30 55.65 1u81 h ASN 60 Cb 0.00 -0.08 -0.04 0.00 -2.07 0.00 0.00 38.32 36.13 1u81 h ASN 60 CO 0.00 0.74 -0.14 -0.63 0.07 0.00 0.00 177.43 177.47 1u81 s ILE 61 N -3.94 4.93 -0.23 6.14 1.01 -1.22 0.68 121.20 128.57 1u81 s ILE 61 Ca -0.04 0.82 -0.04 0.00 0.00 0.00 0.00 60.65 61.39 1u81 s ILE 61 Cb 0.13 -3.74 0.12 0.00 0.01 0.00 0.00 42.46 38.98 1u81 s ILE 61 CO 0.79 0.39 0.38 -0.44 0.00 0.00 0.00 174.94 176.06 1u81 s SER 62 N -1.46 0.13 -0.27 3.58 0.01 -0.08 -1.32 113.70 114.29 1u81 s SER 62 Ca 0.32 0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.99 1u81 s SER 62 Cb -0.16 1.16 0.06 0.00 0.21 0.00 0.00 66.02 67.29 1u81 s SER 62 CO 0.17 -0.28 -0.09 -0.36 0.41 0.00 0.00 173.24 173.09 1u81 s PHE 63 N 2.56 3.26 -1.19 2.43 0.08 0.12 -1.53 117.98 123.70 1u81 s PHE 63 Ca 0.10 -2.20 -0.20 0.00 0.12 0.00 0.00 56.93 54.74 1u81 s PHE 63 Cb -0.15 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.40 1u81 s PHE 63 CO -0.15 -0.86 1.62 0.99 -0.10 0.00 0.00 175.22 176.72 1u81 s THR 64 N 1.14 4.07 0.81 0.64 2.01 -1.26 -1.54 115.64 121.52 1u81 s THR 64 Ca -0.08 -1.50 -0.12 0.00 0.31 0.00 0.00 61.69 60.31 1u81 s THR 64 Cb -0.20 -5.14 0.08 0.00 0.01 0.00 0.00 72.50 67.25 1u81 s THR 64 CO -0.04 -1.98 1.10 -0.69 -0.69 0.00 0.00 174.62 172.31 1u81 s VAL 65 N 4.45 2.94 -5.00 3.82 1.01 -0.94 -4.56 120.40 122.11 1u81 s VAL 65 Ca 0.51 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1u81 s VAL 65 Cb 0.02 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1u81 s VAL 65 CO 0.01 -0.40 0.00 -2.67 0.00 0.00 0.00 175.10 172.04 1u81 n TRP 66 N -3.49 0.00 -4.26 5.22 2.14 -1.26 -2.45 117.44 113.34 1u81 n TRP 66 Ca 0.07 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.35 1u81 n TRP 66 Cb 0.56 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 31.03 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 -0.07 4.42 0.49 -0.67 1.01 -1.26 -4.56 116.67 116.04 1u81 s ASP 67 Ca 0.00 -1.44 0.02 0.00 0.71 0.00 0.00 52.55 51.84 1u81 s ASP 67 Cb 0.00 0.52 0.02 0.00 1.01 0.00 0.00 42.92 44.47 1u81 s ASP 67 CO 0.00 -1.03 0.70 0.68 0.21 0.00 0.00 175.17 175.73 1u81 s VAL 68 N -2.83 3.25 0.00 -1.27 -7.23 -1.26 -5.02 120.40 106.04 1u81 s VAL 68 Ca 0.21 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 1u81 s VAL 68 Cb -0.01 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.73 1u81 s VAL 68 CO 0.13 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1u81 n GLY 69 N -2.17 -1.07 5.45 2.32 0.00 -1.26 -5.02 105.19 103.43 1u81 n GLY 69 Ca 0.05 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 1.16 0.00 -0.02 0.00 -1.26 -3.41 105.19 101.66 1u81 n GLY 70 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -5.08 117.38 119.92 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 -0.02 -3.83 1.69 5.75 -1.22 -2.88 116.55 116.04 1u81 n ASP 72 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 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 0.00 3.63 -3.39 0.11 4.81 -1.26 -4.73 118.16 117.33 1u81 n LYS 73 Ca 0.00 -3.47 -0.24 0.00 -0.87 0.00 0.00 58.31 53.73 1u81 n LYS 73 Cb 0.00 -2.93 0.02 0.00 0.02 0.00 0.00 35.03 32.14 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 3.33 -6.05 -3.73 3.15 3.06 -1.14 -5.03 119.36 112.95 1u81 n ILE 74 Ca 0.41 0.18 -0.17 0.00 -2.50 0.00 0.00 62.75 60.68 1u81 n ILE 74 Cb 0.36 -4.60 -0.16 0.00 0.54 0.00 0.00 39.64 35.78 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 -3.21 -0.03 0.00 9.51 6.06 -1.25 -5.04 118.95 124.99 1u81 s ARG 75 Ca 0.21 0.30 0.00 0.00 -2.50 0.00 0.00 55.73 53.74 1u81 s ARG 75 Cb -0.03 -0.33 0.00 0.00 0.06 0.00 0.00 34.95 34.65 1u81 s ARG 75 CO 0.84 -0.23 0.25 -2.30 -2.50 0.00 0.00 175.30 171.36 1u81 n PRO 76 N 4.62 0.38 0.05 5.12 -0.02 -1.26 -3.85 135.00 140.04 1u81 n PRO 76 Ca -0.18 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.11 1u81 n PRO 76 Cb 0.50 -1.23 -0.10 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.94 0.84 -0.70 2.45 -0.00 -1.97 -3.28 115.31 113.58 1u81 h LEU 77 Ca 0.00 -0.68 0.15 0.00 -0.00 0.00 0.00 57.88 57.35 1u81 h LEU 77 Cb 0.25 -0.26 -0.12 0.00 -0.00 0.00 0.00 40.66 40.54 1u81 h LEU 77 CO 0.00 1.48 0.06 -0.50 -0.00 0.00 0.00 178.44 179.48 1u81 h TRP 78 N 0.35 0.06 -0.12 0.17 4.06 -1.97 -0.67 115.95 117.84 1u81 h TRP 78 Ca -0.13 0.05 0.03 0.00 2.06 0.00 0.00 58.89 60.90 1u81 h TRP 78 Cb 1.70 0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 29.91 1u81 h TRP 78 CO 0.10 -0.17 -0.09 0.00 -3.56 0.00 0.00 178.44 174.72 1u81 h ARG 79 N 0.16 -0.10 -0.01 0.49 -0.00 -1.87 -0.38 114.38 112.66 1u81 h ARG 79 Ca 0.38 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.87 1u81 h ARG 79 Cb 0.66 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.65 1u81 h ARG 79 CO -0.57 -0.07 0.04 0.45 0.00 0.00 0.00 179.97 179.82 1u81 h HIS 80 N -0.10 0.00 0.05 3.04 3.86 -1.22 0.51 115.15 121.28 1u81 h HIS 80 Ca 0.08 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1u81 h HIS 80 Cb 0.22 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.70 1u81 h HIS 80 CO -0.21 0.00 -0.37 1.88 0.86 0.00 0.00 177.93 180.09 1u81 h TYR 81 N 0.00 0.27 -0.34 2.45 0.05 -0.42 -3.36 116.97 115.62 1u81 h TYR 81 Ca 0.01 -0.18 -0.15 0.00 0.05 0.00 0.00 58.73 58.45 1u81 h TYR 81 Cb 0.09 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1u81 h TYR 81 CO 0.00 1.11 -0.39 0.74 -1.05 0.00 0.00 178.16 178.56 1u81 h PHE 82 N -0.64 1.00 0.00 4.88 0.04 -0.04 -3.27 116.94 118.91 1u81 h PHE 82 Ca -0.06 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.41 1u81 h PHE 82 Cb 1.25 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1u81 h PHE 82 CO 0.23 1.09 0.18 1.96 -0.60 0.00 0.00 178.31 181.17 1u81 h GLN 83 N 0.68 0.00 0.00 1.51 4.20 -0.18 -2.01 115.11 119.30 1u81 h GLN 83 Ca 0.05 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1u81 h GLN 83 Cb 0.96 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.66 1u81 h GLN 83 CO 0.09 0.00 -0.50 0.27 -0.67 0.00 0.00 178.83 178.02 1u81 n ASN 84 N -2.20 0.94 -4.90 1.46 6.94 -1.23 -5.05 115.26 111.22 1u81 n ASN 84 Ca -0.01 -2.46 -0.28 0.00 -0.02 0.00 0.00 54.58 51.81 1u81 n ASN 84 Cb 0.21 -0.31 -0.01 0.00 -2.36 0.00 0.00 39.78 37.31 1u81 n ASN 84 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1u81 s THR 85 N -1.01 4.90 0.00 5.53 2.01 -0.76 -4.80 115.64 121.50 1u81 s THR 85 Ca 0.19 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1u81 s THR 85 Cb 0.19 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1u81 s THR 85 CO -0.04 -0.67 0.00 0.00 -0.69 0.00 0.00 174.62 173.22 1u81 n GLN 86 N -1.78 1.57 -0.99 4.92 1.13 -0.08 -5.01 117.38 117.15 1u81 n GLN 86 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1u81 n GLN 86 Cb 0.55 -0.86 0.00 0.00 0.11 0.00 0.00 30.24 30.03 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 1.86 3.26 0.00 1.08 0.00 0.15 -4.61 105.19 106.93 1u81 n GLY 87 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1u81 n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u81 n LEU 88 N 0.00 0.00 -3.89 0.99 7.94 -1.25 -4.02 117.00 116.77 1u81 n LEU 88 Ca 0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.65 1u81 n LEU 88 Cb 0.00 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.78 1u81 n LEU 88 CO 0.00 0.00 -0.43 -0.63 -1.11 0.00 0.00 177.39 175.22 1u81 s ILE 89 N 0.00 0.83 -0.25 1.96 1.01 0.73 -0.18 121.20 125.30 1u81 s ILE 89 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 1u81 s ILE 89 Cb 0.00 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1u81 s ILE 89 CO 0.00 0.32 -0.02 0.12 0.00 0.00 0.00 174.94 175.36 1u81 s PHE 90 N 1.46 3.04 -0.94 3.97 5.36 0.21 0.53 117.98 131.61 1u81 s PHE 90 Ca -0.01 -1.18 -0.09 0.00 -0.96 0.00 0.00 56.93 54.70 1u81 s PHE 90 Cb -0.13 -2.12 0.24 0.00 -0.34 0.00 0.00 43.02 40.67 1u81 s PHE 90 CO -0.04 -0.62 0.89 0.08 -1.46 0.00 0.00 175.22 174.06 1u81 s VAL 91 N 1.43 5.40 -0.54 3.12 1.01 -0.21 -1.34 120.40 129.27 1u81 s VAL 91 Ca 0.03 -3.16 -0.27 0.00 0.00 0.00 0.00 61.98 58.58 1u81 s VAL 91 Cb -0.16 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 31.95 1u81 s VAL 91 CO -0.03 -1.09 1.12 -0.69 0.00 0.00 0.00 175.10 174.41 1u81 s VAL 92 N -0.72 4.16 -0.83 2.92 1.01 -1.21 -4.24 120.40 121.48 1u81 s VAL 92 Ca 0.25 0.85 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 1u81 s VAL 92 Cb -0.10 -4.65 -0.22 0.00 0.00 0.00 0.00 36.38 31.41 1u81 s VAL 92 CO -0.09 -1.19 2.17 -0.67 0.00 0.00 0.00 175.10 175.32 1u81 n ASP 93 N 8.05 0.14 0.16 3.32 -0.08 -1.26 -4.25 116.55 122.63 1u81 n ASP 93 Ca 0.08 -1.21 0.17 0.00 -1.51 0.00 0.00 54.79 52.33 1u81 n ASP 93 Cb 0.49 -1.13 0.65 0.00 2.34 0.00 0.00 41.12 43.46 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 11.62 0.00 0.05 1.67 0.02 -1.46 -1.32 113.55 124.13 1u81 h SER 94 Ca 0.02 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1u81 h SER 94 Cb 1.05 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.60 1u81 h SER 94 CO 1.25 0.00 -0.38 -1.13 -1.14 0.00 0.00 176.83 175.43 1u81 h ASN 95 N 0.00 0.18 -0.25 3.07 -1.24 -1.66 -3.42 115.58 112.26 1u81 h ASN 95 Ca 0.15 -0.96 -0.30 0.00 0.71 0.00 0.00 56.30 55.90 1u81 h ASN 95 Cb 1.29 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 40.21 1u81 h ASN 95 CO -0.00 1.18 1.40 -0.67 -1.29 0.00 0.00 177.43 178.05 1u81 n ASP 96 N -4.41 0.08 -0.57 1.15 -0.08 -0.50 -4.10 116.55 108.13 1u81 n ASP 96 Ca -0.13 -0.68 0.06 0.00 -1.51 0.00 0.00 54.79 52.53 1u81 n ASP 96 Cb 0.62 -1.01 0.08 0.00 2.34 0.00 0.00 41.12 43.16 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 7.25 1.29 -0.07 -0.67 1.85 -1.26 -4.56 116.66 120.49 1u81 n ARG 97 Ca 0.59 -1.48 -0.22 0.00 -1.00 0.00 0.00 57.85 55.74 1u81 n ARG 97 Cb 0.24 -1.26 -0.12 0.00 -1.05 0.00 0.00 32.46 30.27 1u81 n ARG 97 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1u81 n GLU 98 N 0.71 0.67 -0.92 2.89 4.71 -1.26 -4.38 120.64 123.06 1u81 n GLU 98 Ca 0.09 0.31 -0.01 0.00 -0.01 0.00 0.00 57.16 57.53 1u81 n GLU 98 Cb 0.35 -1.65 0.32 0.00 -1.01 0.00 0.00 31.44 29.45 1u81 n GLU 98 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1u81 n ARG 99 N -3.74 3.94 0.28 3.49 1.74 -1.26 -4.41 116.66 116.71 1u81 n ARG 99 Ca -0.38 -2.88 0.07 0.00 -0.77 0.00 0.00 57.85 53.90 1u81 n ARG 99 Cb 0.94 -2.18 0.29 0.00 -1.02 0.00 0.00 32.46 30.49 1u81 n ARG 99 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1u81 h VAL 100 N 2.93 0.01 -0.07 1.55 3.04 -1.80 0.46 116.25 122.37 1u81 h VAL 100 Ca 0.16 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.80 1u81 h VAL 100 Cb 2.11 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1u81 h VAL 100 CO 0.61 0.00 -0.17 -0.55 -1.01 0.00 0.00 177.57 176.46 1u81 h ASN 101 N 0.00 0.27 -0.96 3.17 -1.07 -1.94 -2.18 115.58 112.88 1u81 h ASN 101 Ca 0.04 -0.58 0.18 0.00 0.07 0.00 0.00 56.30 56.01 1u81 h ASN 101 Cb 1.66 -0.08 -0.10 0.00 -2.07 0.00 0.00 38.32 37.72 1u81 h ASN 101 CO -0.00 0.80 0.55 -0.08 0.07 0.00 0.00 177.43 178.77 1u81 h GLU 102 N -0.24 0.69 0.31 4.14 4.81 -0.43 -2.08 114.58 121.77 1u81 h GLU 102 Ca -0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1u81 h GLU 102 Cb 0.76 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1u81 h GLU 102 CO 0.04 0.45 -0.15 0.00 -0.73 0.00 0.00 179.01 178.62 1u81 h ALA 103 N 1.63 -0.80 -1.20 2.92 0.00 -1.48 -2.09 119.26 118.24 1u81 h ALA 103 Ca 0.55 -0.09 0.37 0.00 0.00 0.00 0.00 54.91 55.74 1u81 h ALA 103 Cb 0.84 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1u81 h ALA 103 CO -0.39 -0.77 0.83 -2.13 0.00 0.00 0.00 179.25 176.80 1u81 n ARG 104 N -3.49 -0.01 -0.06 0.00 0.63 -0.82 0.10 116.66 113.01 1u81 n ARG 104 Ca -0.05 0.80 -0.08 0.00 -0.92 0.00 0.00 57.85 57.60 1u81 n ARG 104 Cb 0.16 -1.73 -0.07 0.00 0.45 0.00 0.00 32.46 31.27 1u81 n ARG 104 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1u81 h GLU 105 N 0.00 -0.01 -0.04 -0.14 4.39 -1.21 -3.31 114.58 114.26 1u81 h GLU 105 Ca 0.64 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.31 1u81 h GLU 105 Cb 2.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 31.00 1u81 h GLU 105 CO -0.14 0.56 -0.09 0.93 -1.16 0.00 0.00 179.01 179.10 1u81 h GLU 106 N -0.99 0.06 0.00 2.33 4.39 0.38 -2.27 114.58 118.48 1u81 h GLU 106 Ca -0.00 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1u81 h GLU 106 Cb 0.57 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1u81 h GLU 106 CO 0.00 0.16 -0.13 1.25 -1.16 0.00 0.00 179.01 179.12 1u81 h LEU 107 N 0.06 0.00 -0.97 1.33 5.85 -0.87 -3.21 115.31 117.50 1u81 h LEU 107 Ca 0.01 0.00 0.32 0.00 0.84 0.00 0.00 57.88 59.05 1u81 h LEU 107 Cb 0.20 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.06 1u81 h LEU 107 CO 0.01 0.13 0.28 0.24 -0.34 0.00 0.00 178.44 178.77 1u81 h MET 108 N 0.00 0.08 0.02 1.25 2.86 -1.49 -1.81 114.93 115.83 1u81 h MET 108 Ca -0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1u81 h MET 108 Cb 0.27 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1u81 h MET 108 CO 0.02 0.05 -0.01 0.00 1.06 0.00 0.00 176.91 178.03 1u81 h ARG 109 N 0.08 -0.03 0.00 1.72 -0.00 -1.78 -3.25 114.38 111.12 1u81 h ARG 109 Ca 0.68 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.16 1u81 h ARG 109 Cb 1.57 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.55 1u81 h ARG 109 CO -0.79 0.63 0.00 -1.33 0.00 0.00 0.00 179.97 178.48 1u81 n MET 110 N -4.70 0.00 0.00 0.04 2.81 -0.73 -2.71 117.12 111.83 1u81 n MET 110 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1u81 n MET 110 Cb 0.33 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1u81 n MET 110 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u81 n LEU 111 N -0.62 0.03 -0.05 4.03 4.77 -0.91 -4.65 117.00 119.60 1u81 n LEU 111 Ca 0.00 0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 56.16 1u81 n LEU 111 Cb 0.00 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 40.53 1u81 n LEU 111 CO 0.00 -0.49 0.40 0.00 -1.33 0.00 0.00 177.39 175.97 1u81 h ALA 112 N -2.00 0.31 -0.03 -1.18 0.00 -1.70 -3.47 119.26 111.20 1u81 h ALA 112 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1u81 h ALA 112 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1u81 h ALA 112 CO 0.00 0.50 0.17 0.39 0.00 0.00 0.00 179.25 180.31 1u81 n GLU 113 N -4.15 0.00 0.09 0.00 -0.58 -1.10 -4.85 120.64 110.05 1u81 n GLU 113 Ca -0.06 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.45 1u81 n GLU 113 Cb 0.61 -0.21 -0.13 0.00 -0.57 0.00 0.00 31.44 31.14 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 1.17 0.88 -0.55 1.62 5.19 -1.93 -3.37 116.42 119.42 1u81 h ASP 114 Ca -0.02 -0.82 0.13 0.00 -0.62 0.00 0.00 57.03 55.69 1u81 h ASP 114 Cb 0.20 -0.28 -0.10 0.00 0.18 0.00 0.00 39.33 39.33 1u81 h ASP 114 CO 0.15 1.61 -0.08 -0.62 -3.12 0.00 0.00 179.24 177.18 1u81 n GLU 115 N -3.81 -0.05 -3.79 3.56 -0.58 -1.26 -2.10 120.64 112.61 1u81 n GLU 115 Ca -0.14 0.85 -0.31 0.00 -0.42 0.00 0.00 57.16 57.14 1u81 n GLU 115 Cb 0.98 -1.30 -0.10 0.00 -0.57 0.00 0.00 31.44 30.45 1u81 n GLU 115 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u81 s LEU 116 N -9.64 5.14 0.00 -4.62 1.43 -1.26 -4.88 118.68 104.85 1u81 s LEU 116 Ca -0.08 -3.81 0.00 0.00 -1.03 0.00 0.00 54.13 49.21 1u81 s LEU 116 Cb 0.15 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1u81 s LEU 116 CO 0.43 -0.12 0.00 0.54 0.23 0.00 0.00 176.35 177.43 1u81 n ARG 117 N 2.12 0.00 -0.35 1.70 5.12 -0.89 -4.52 116.66 119.84 1u81 n ARG 117 Ca 0.20 0.36 -0.03 0.00 -1.93 0.00 0.00 57.85 56.46 1u81 n ARG 117 Cb 0.36 -0.85 0.11 0.00 -1.16 0.00 0.00 32.46 30.91 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 1.13 0.00 0.55 2.03 -1.92 -3.41 116.42 114.80 1u81 h ASP 118 Ca 0.00 -0.07 -0.43 0.00 -0.73 0.00 0.00 57.03 55.80 1u81 h ASP 118 Cb 0.00 -0.29 -0.02 0.00 -0.83 0.00 0.00 39.33 38.19 1u81 h ASP 118 CO 0.00 0.87 0.75 0.00 -1.03 0.00 0.00 179.24 179.83 1u81 n ALA 119 N -2.40 0.13 -2.20 4.15 0.00 -1.26 -4.54 120.51 114.39 1u81 n ALA 119 Ca 0.10 0.10 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 1u81 n ALA 119 Cb 0.06 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 3.44 3.90 -0.03 0.00 1.01 -1.26 -4.60 120.40 122.87 1u81 s VAL 120 Ca 0.68 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 63.45 1u81 s VAL 120 Cb -0.85 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1u81 s VAL 120 CO 0.37 -0.10 1.23 -0.22 0.00 0.00 0.00 175.10 176.39 1u81 s LEU 121 N 3.78 4.30 -0.43 3.92 2.96 -0.67 -3.78 118.68 128.75 1u81 s LEU 121 Ca 0.65 1.89 -0.10 0.00 -0.22 0.00 0.00 54.13 56.34 1u81 s LEU 121 Cb -0.28 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 42.93 1u81 s LEU 121 CO 0.23 -0.59 0.29 -0.22 -1.32 0.00 0.00 176.35 174.74 1u81 s LEU 122 N 2.08 5.31 -0.97 -0.68 2.96 0.74 -2.40 118.68 125.73 1u81 s LEU 122 Ca 0.57 -1.55 -0.17 0.00 -0.22 0.00 0.00 54.13 52.77 1u81 s LEU 122 Cb -0.26 -2.02 0.16 0.00 0.50 0.00 0.00 46.19 44.57 1u81 s LEU 122 CO 0.24 -0.58 1.12 -0.69 -1.32 0.00 0.00 176.35 175.12 1u81 s VAL 123 N 1.44 4.97 -0.81 1.68 1.01 0.33 0.67 120.40 129.69 1u81 s VAL 123 Ca 0.04 -1.97 -0.26 0.00 0.00 0.00 0.00 61.98 59.79 1u81 s VAL 123 Cb -0.24 -4.74 0.02 0.00 0.00 0.00 0.00 36.38 31.42 1u81 s VAL 123 CO 0.02 -1.44 1.48 -0.36 0.00 0.00 0.00 175.10 174.80 1u81 s PHE 124 N 1.94 2.21 -1.20 5.22 0.08 -0.45 -3.68 117.98 122.11 1u81 s PHE 124 Ca 0.32 -0.09 -0.10 0.00 0.12 0.00 0.00 56.93 57.19 1u81 s PHE 124 Cb -0.05 -4.51 0.21 0.00 -0.57 0.00 0.00 43.02 38.09 1u81 s PHE 124 CO -0.08 -2.05 1.55 0.00 -0.10 0.00 0.00 175.22 174.54 1u81 n ALA 125 N 10.17 4.70 -2.40 5.36 0.00 -1.22 -3.35 120.51 133.77 1u81 n ALA 125 Ca 0.17 -4.45 -0.28 0.00 0.00 0.00 0.00 53.44 48.88 1u81 n ALA 125 Cb 0.50 -2.80 -0.02 0.00 0.00 0.00 0.00 19.45 17.13 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 1.01 6.42 -0.58 0.00 2.47 -1.25 -3.31 114.94 119.70 1u81 s ASN 126 Ca 0.38 0.83 0.00 0.00 0.42 0.00 0.00 52.86 54.49 1u81 s ASN 126 Cb 0.02 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 1u81 s ASN 126 CO 0.01 -0.32 0.00 0.29 -3.72 0.00 0.00 177.10 173.36 1u81 n LYS 127 N -1.35 -0.42 -0.02 0.43 5.02 -1.26 -1.49 118.16 119.07 1u81 n LYS 127 Ca -0.01 0.58 -0.09 0.00 -2.02 0.00 0.00 58.31 56.78 1u81 n LYS 127 Cb 0.54 -4.35 -0.07 0.00 -0.02 0.00 0.00 35.03 31.13 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 -0.07 0.00 1.97 -0.00 -1.84 -2.61 115.11 112.55 1u81 h GLN 128 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1u81 h GLN 128 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.09 1u81 h GLN 128 CO 0.17 0.44 0.00 -0.40 0.00 0.00 0.00 178.83 179.04 1u81 n ASP 129 N -4.77 0.00 -4.76 -0.69 5.75 -1.26 -4.68 116.55 106.14 1u81 n ASP 129 Ca -0.06 -0.33 -0.40 0.00 -0.01 0.00 0.00 54.79 53.98 1u81 n ASP 129 Cb 0.26 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.44 4.52 0.58 -2.12 1.43 -1.24 -4.92 118.68 115.48 1u81 s LEU 130 Ca 0.05 2.37 0.30 0.00 -1.03 0.00 0.00 54.13 55.81 1u81 s LEU 130 Cb 0.02 -3.63 1.44 0.00 0.03 0.00 0.00 46.19 44.05 1u81 s LEU 130 CO 0.03 -0.25 1.85 -0.65 0.23 0.00 0.00 176.35 177.56 1u81 h PRO 131 N 3.83 0.00 0.00 1.29 0.11 -1.93 -2.66 132.00 132.63 1u81 h PRO 131 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1u81 h PRO 131 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u81 h PRO 131 CO 0.67 0.00 -0.09 -0.97 -0.21 0.00 0.00 178.00 177.40 1u81 h ASN 132 N 0.00 0.00 -1.51 -2.05 -1.24 -1.93 -3.48 115.58 105.38 1u81 h ASN 132 Ca 0.30 -0.31 -0.44 0.00 0.71 0.00 0.00 56.30 56.56 1u81 h ASN 132 Cb 1.47 0.00 0.15 0.00 0.73 0.00 0.00 38.32 40.67 1u81 h ASN 132 CO -0.00 0.71 -1.03 0.00 -1.29 0.00 0.00 177.43 175.82 1u81 n ALA 133 N -2.83 -3.29 -1.09 1.57 0.00 -1.00 -4.92 120.51 108.95 1u81 n ALA 133 Ca -0.05 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.92 1u81 n ALA 133 Cb 0.19 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 18.85 1u81 n ALA 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1u81 s MET 134 N -0.97 -0.73 1.18 0.00 -1.94 -1.26 -4.94 119.30 110.64 1u81 s MET 134 Ca 0.39 0.13 -0.15 0.00 -1.71 0.00 0.00 55.69 54.36 1u81 s MET 134 Cb -0.31 -1.64 0.25 0.00 2.01 0.00 0.00 34.83 35.15 1u81 s MET 134 CO 0.54 -3.42 0.74 0.27 -0.01 0.00 0.00 175.02 173.13 1u81 n ASN 135 N -4.59 -2.02 -0.07 3.03 0.23 -1.26 -4.74 115.26 105.83 1u81 n ASN 135 Ca 0.10 -0.19 -0.08 0.00 -0.53 0.00 0.00 54.58 53.89 1u81 n ASN 135 Cb 0.59 -1.17 -0.01 0.00 -2.08 0.00 0.00 39.78 37.11 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 -2.58 -0.12 0.29 -2.53 0.00 -1.94 -2.99 119.26 109.39 1u81 h ALA 136 Ca -0.61 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1u81 h ALA 136 Cb 1.34 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1u81 h ALA 136 CO 0.47 -0.67 -0.14 0.00 0.00 0.00 0.00 179.25 178.91 1u81 h ALA 137 N 0.82 -0.39 0.00 0.00 0.00 -2.03 -3.07 119.26 114.60 1u81 h ALA 137 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u81 h ALA 137 Cb 0.48 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1u81 h ALA 137 CO -0.44 -0.45 0.02 -0.85 0.00 0.00 0.00 179.25 177.53 1u81 n GLU 138 N -5.06 0.00 0.05 0.00 0.28 -1.23 -1.60 120.64 113.08 1u81 n GLU 138 Ca -0.08 0.28 -0.13 0.00 -0.16 0.00 0.00 57.16 57.07 1u81 n GLU 138 Cb 0.26 -1.52 -0.09 0.00 1.43 0.00 0.00 31.44 31.52 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 1.09 -0.07 3.84 1.08 -1.42 -2.20 117.51 119.84 1u81 h ILE 139 Ca 0.00 -0.65 -0.25 0.00 -0.39 0.00 0.00 64.86 63.57 1u81 h ILE 139 Cb 0.04 1.51 0.02 0.00 -3.07 0.00 0.00 36.82 35.32 1u81 h ILE 139 CO 0.00 0.16 -0.93 0.74 -0.69 0.00 0.00 178.15 177.43 1u81 h THR 140 N -0.42 1.28 -0.30 -0.27 2.02 -1.46 -3.31 112.91 110.45 1u81 h THR 140 Ca -0.01 -2.13 0.07 0.00 0.77 0.00 0.00 66.41 65.11 1u81 h THR 140 Cb 0.35 2.20 -0.08 0.00 -1.74 0.00 0.00 68.15 68.88 1u81 h THR 140 CO 0.02 0.67 -0.33 -0.78 0.37 0.00 0.00 175.52 175.46 1u81 h ASP 141 N 0.46 -1.08 0.00 4.18 3.58 -1.51 -1.68 116.42 120.37 1u81 h ASP 141 Ca -0.10 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1u81 h ASP 141 Cb 1.57 0.49 0.00 0.00 1.72 0.00 0.00 39.33 43.11 1u81 h ASP 141 CO 0.19 -0.34 0.00 0.29 -2.88 0.00 0.00 179.24 176.50 1u81 n LYS 142 N -5.41 0.00 -0.03 0.28 4.76 -0.83 0.47 118.16 117.41 1u81 n LYS 142 Ca -0.01 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.47 1u81 n LYS 142 Cb 0.33 -1.42 -0.13 0.00 -1.84 0.00 0.00 35.03 31.97 1u81 n LYS 142 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u81 n LEU 143 N -0.83 0.00 0.00 -0.35 4.77 -0.63 -4.83 117.00 115.13 1u81 n LEU 143 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1u81 n LEU 143 Cb 0.00 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1u81 n LEU 143 CO 0.00 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1u81 n GLY 144 N 1.70 0.74 0.88 -0.72 0.00 0.18 -4.94 105.19 103.03 1u81 n GLY 144 Ca -0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 2.56 -0.01 0.99 4.77 -1.26 -2.57 117.00 121.49 1u81 n LEU 145 Ca 0.00 -1.23 -0.18 0.00 -0.03 0.00 0.00 56.01 54.57 1u81 n LEU 145 Cb 0.00 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 1u81 n LEU 145 CO 0.00 0.61 -0.80 1.57 -1.33 0.00 0.00 177.39 177.45 1u81 n HIS 146 N 0.90 1.11 -0.07 -1.77 -0.00 -1.26 -4.63 115.22 109.50 1u81 n HIS 146 Ca 0.17 0.26 -0.10 0.00 0.46 0.00 0.00 57.72 58.52 1u81 n HIS 146 Cb 0.42 -1.16 -0.07 0.00 -0.12 0.00 0.00 29.99 29.07 1u81 n HIS 146 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1u81 n SER 147 N -3.37 2.79 -4.65 0.26 3.41 -1.25 -4.96 113.62 105.84 1u81 n SER 147 Ca -0.30 -0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 57.82 1u81 n SER 147 Cb 1.05 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 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 -5.75 4.21 0.00 1.04 1.43 -1.06 -4.97 118.68 113.59 1u81 s LEU 148 Ca -0.18 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1u81 s LEU 148 Cb 0.05 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1u81 s LEU 148 CO 0.35 -1.06 0.00 0.54 0.23 0.00 0.00 176.35 176.41 1u81 n ARG 149 N 7.37 4.00 0.00 1.70 5.12 -1.26 -4.75 116.66 128.83 1u81 n ARG 149 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1u81 n ARG 149 Cb 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.73 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 -2.19 -1.55 8.25 -1.26 -4.92 115.22 113.55 1u81 n HIS 150 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1u81 n HIS 150 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 3.40 0.24 -0.41 3.52 -1.26 -5.02 118.95 119.42 1u81 s ARG 151 Ca 0.00 1.34 -0.23 0.00 -0.13 0.00 0.00 55.73 56.71 1u81 s ARG 151 Cb 0.00 -2.04 -0.09 0.00 -1.56 0.00 0.00 34.95 31.27 1u81 s ARG 151 CO 0.00 -0.76 0.80 1.21 -0.81 0.00 0.00 175.30 175.74 1u81 s ASN 152 N -2.36 7.21 0.32 -2.12 3.84 -1.26 -5.02 114.94 115.55 1u81 s ASN 152 Ca 0.67 1.59 -0.09 0.00 0.21 0.00 0.00 52.86 55.24 1u81 s ASN 152 Cb -0.18 -2.48 0.01 0.00 -0.55 0.00 0.00 41.25 38.05 1u81 s ASN 152 CO 0.31 0.04 0.54 -1.66 -2.79 0.00 0.00 177.10 173.54 1u81 s TRP 153 N -1.47 0.64 -0.27 0.43 1.48 -1.26 -1.67 118.94 116.82 1u81 s TRP 153 Ca 0.44 -1.00 -0.29 0.00 -1.06 0.00 0.00 56.10 54.18 1u81 s TRP 153 Cb -0.19 0.19 0.18 0.00 -1.16 0.00 0.00 33.47 32.50 1u81 s TRP 153 CO 0.23 -1.18 1.30 -0.47 -4.06 0.00 0.00 176.95 172.77 1u81 s TYR 154 N -3.22 -0.09 -0.28 1.66 5.04 -1.01 -4.88 117.35 114.57 1u81 s TYR 154 Ca 0.25 0.17 -0.10 0.00 -2.44 0.00 0.00 57.07 54.94 1u81 s TYR 154 Cb -0.01 0.49 0.12 0.00 0.35 0.00 0.00 41.96 42.90 1u81 s TYR 154 CO 0.15 -0.08 0.61 -1.50 -1.34 0.00 0.00 175.55 173.38 1u81 s ILE 155 N -0.96 -0.79 0.20 3.14 2.07 -1.26 -0.51 121.20 123.09 1u81 s ILE 155 Ca 0.07 0.03 0.05 0.00 -1.41 0.00 0.00 60.65 59.39 1u81 s ILE 155 Cb -0.01 -0.93 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 1u81 s ILE 155 CO -0.07 0.01 -0.06 -1.58 -1.91 0.00 0.00 174.94 171.34 1u81 s GLN 156 N 2.66 1.25 -0.11 3.50 2.00 -1.24 -5.03 119.66 122.69 1u81 s GLN 156 Ca -0.06 -1.59 -0.29 0.00 -2.00 0.00 0.00 55.36 51.42 1u81 s GLN 156 Cb -0.11 -0.71 -0.05 0.00 0.80 0.00 0.00 33.01 32.94 1u81 s GLN 156 CO -0.18 0.01 1.73 0.00 -0.50 0.00 0.00 175.29 176.35 1u81 s ALA 157 N -3.31 3.43 -0.12 1.58 0.00 -1.26 -3.46 121.76 118.62 1u81 s ALA 157 Ca 0.23 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 53.02 1u81 s ALA 157 Cb 0.04 -3.82 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1u81 s ALA 157 CO 0.06 -1.71 -0.07 0.95 0.00 0.00 0.00 175.76 174.99 1u81 s THR 158 N 4.81 3.59 -0.35 0.00 -4.23 -1.21 -3.55 115.64 114.70 1u81 s THR 158 Ca 0.77 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.80 1u81 s THR 158 Cb -0.32 -2.52 0.11 0.00 1.34 0.00 0.00 72.50 71.11 1u81 s THR 158 CO 0.32 0.54 0.14 0.00 -0.54 0.00 0.00 174.62 175.07 1u81 h ALA 160 N 7.59 0.62 -0.48 0.00 0.00 -1.88 0.11 119.26 125.23 1u81 h ALA 160 Ca -0.08 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1u81 h ALA 160 Cb 0.99 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 1u81 h ALA 160 CO 0.48 0.59 -0.52 1.79 0.00 0.00 0.00 179.25 181.58 1u81 h THR 161 N 0.75 0.03 0.02 0.00 1.35 -1.94 -3.02 112.91 110.11 1u81 h THR 161 Ca 0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1u81 h THR 161 Cb 0.76 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1u81 h THR 161 CO 0.06 0.00 -0.01 0.77 -0.25 0.00 0.00 175.52 176.09 1u81 h SER 162 N -0.34 -0.03 0.00 5.36 4.64 -2.00 -3.48 113.55 117.70 1u81 h SER 162 Ca 0.11 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1u81 h SER 162 Cb 0.58 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1u81 h SER 162 CO -0.63 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 1u81 n GLY 163 N 1.12 1.23 3.48 -0.77 0.00 0.32 -5.13 105.19 105.43 1u81 n GLY 163 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.35 0.00 1.61 2.03 -0.76 -2.96 116.55 115.12 1u81 n ASP 164 Ca 0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1u81 n ASP 164 Cb 0.00 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 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 1.13 1.03 0.22 0.27 0.00 -1.23 -0.94 105.19 105.66 1u81 n GLY 165 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 0.63 0.78 0.99 3.38 -1.81 -2.88 115.31 116.40 1u81 h LEU 166 Ca 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1u81 h LEU 166 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1u81 h LEU 166 CO 0.00 0.57 -0.43 0.22 0.09 0.00 0.00 178.44 178.89 1u81 h TYR 167 N 0.65 -1.14 -0.82 1.13 5.03 -1.83 -1.18 116.97 118.81 1u81 h TYR 167 Ca 0.17 -0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.63 1u81 h TYR 167 Cb 0.10 0.39 -0.11 0.00 1.55 0.00 0.00 36.73 38.67 1u81 h TYR 167 CO -0.01 -0.67 0.35 0.93 -1.32 0.00 0.00 178.16 177.44 1u81 h GLU 168 N -1.12 0.44 0.54 1.82 3.07 -1.94 -1.14 114.58 116.24 1u81 h GLU 168 Ca -0.11 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 1u81 h GLU 168 Cb 0.88 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1u81 h GLU 168 CO 0.14 0.29 -0.26 0.78 -1.40 0.00 0.00 179.01 178.56 1u81 h GLY 169 N 0.45 -0.75 0.39 -3.84 0.00 -1.40 -1.89 103.07 96.03 1u81 h GLY 169 Ca 0.47 0.28 0.07 0.00 0.00 0.00 0.00 47.33 48.15 1u81 h GLY 169 CO -0.45 -0.27 0.04 1.41 0.00 0.00 0.00 176.54 177.27 1u81 h LEU 170 N -1.00 -0.09 0.19 3.11 3.38 -0.82 -1.04 115.31 119.06 1u81 h LEU 170 Ca -0.07 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1u81 h LEU 170 Cb 0.63 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1u81 h LEU 170 CO 0.12 -0.01 -0.09 -0.78 0.09 0.00 0.00 178.44 177.77 1u81 h ASP 171 N 0.16 -0.22 -0.25 -0.43 3.58 -1.29 -1.06 116.42 116.91 1u81 h ASP 171 Ca 0.21 -0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.65 1u81 h ASP 171 Cb 0.28 0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.32 1u81 h ASP 171 CO -0.31 -0.06 -0.19 -0.25 -2.88 0.00 0.00 179.24 175.54 1u81 h TRP 172 N -0.36 -0.49 0.52 0.28 7.01 -1.05 -0.83 115.95 121.03 1u81 h TRP 172 Ca -0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1u81 h TRP 172 Cb 0.28 0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.58 1u81 h TRP 172 CO -0.03 -0.27 -0.48 1.25 -2.79 0.00 0.00 178.44 176.11 1u81 h LEU 173 N -0.18 -1.32 -0.84 0.65 5.85 -1.13 -0.16 115.31 118.19 1u81 h LEU 173 Ca 0.14 0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1u81 h LEU 173 Cb 0.40 0.43 -0.13 0.00 0.37 0.00 0.00 40.66 41.72 1u81 h LEU 173 CO -0.36 -0.65 -0.43 -1.28 -0.34 0.00 0.00 178.44 175.37 1u81 h SER 174 N -1.00 -1.55 0.01 1.25 0.87 -0.84 0.33 113.55 112.62 1u81 h SER 174 Ca -0.07 0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1u81 h SER 174 Cb 0.85 0.75 -0.03 0.00 -0.44 0.00 0.00 62.40 63.54 1u81 h SER 174 CO -0.04 -0.29 -0.13 0.78 -0.53 0.00 0.00 176.83 176.62 1u81 h ASN 175 N -0.08 -0.38 0.15 6.23 2.35 -0.96 -1.21 115.58 121.68 1u81 h ASN 175 Ca 0.26 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1u81 h ASN 175 Cb 0.55 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1u81 h ASN 175 CO -0.86 -0.19 -0.29 1.56 -1.65 0.00 0.00 177.43 176.00 1u81 h GLN 176 N -0.23 -0.46 -0.01 0.81 1.08 0.69 0.93 115.11 117.92 1u81 h GLN 176 Ca 0.04 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1u81 h GLN 176 Cb 0.28 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.76 1u81 h GLN 176 CO -0.13 -0.31 -0.39 -0.07 -0.95 0.00 0.00 178.83 176.99 1u81 h LEU 177 N -0.48 -1.17 -1.44 1.46 3.38 -0.99 0.84 115.31 116.91 1u81 h LEU 177 Ca -0.02 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1u81 h LEU 177 Cb 0.45 0.46 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 1u81 h LEU 177 CO -0.11 -0.43 0.50 -0.09 0.09 0.00 0.00 178.44 178.40 1u81 h ARG 178 N -0.54 0.59 0.05 1.13 2.43 -1.17 -2.38 114.38 114.50 1u81 h ARG 178 Ca 0.05 -0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 58.91 1u81 h ARG 178 Cb 0.62 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1u81 h ARG 178 CO -0.31 0.39 -1.46 -0.91 -1.51 0.00 0.00 179.97 176.17 1u81 h ASN 179 N 0.61 0.17 -0.45 -3.80 2.35 0.32 -3.38 115.58 111.40 1u81 h ASN 179 Ca 0.36 -0.25 0.09 0.00 -0.55 0.00 0.00 56.30 55.94 1u81 h ASN 179 Cb 0.57 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.78 1u81 h ASN 179 CO -0.13 1.21 -0.32 1.56 -1.65 0.00 0.00 177.43 178.10 1u81 h GLN 180 N 0.03 -0.22 -0.02 0.81 4.20 0.12 -3.50 115.11 116.52 1u81 h GLN 180 Ca -0.20 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1u81 h GLN 180 Cb 1.95 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.78 1u81 h GLN 180 CO 0.13 -0.15 0.00 1.63 -0.67 0.00 0.00 178.83 179.77