#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 2.22 -0.07 3.17 3.52 -1.26 0.10 118.95 126.63 1u81 s ARG 19 Ca 0.00 -0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1u81 s ARG 19 Cb 0.00 -1.76 0.02 0.00 -1.56 0.00 0.00 34.95 31.65 1u81 s ARG 19 CO 0.00 0.07 -0.03 0.42 -0.81 0.00 0.00 175.30 174.95 1u81 s ILE 20 N 0.58 0.60 -1.02 4.11 1.09 -1.14 -0.73 121.20 124.69 1u81 s ILE 20 Ca -0.15 -0.06 -0.17 0.00 -1.10 0.00 0.00 60.65 59.16 1u81 s ILE 20 Cb -0.16 -0.68 0.15 0.00 -1.06 0.00 0.00 42.46 40.71 1u81 s ILE 20 CO 0.05 0.28 1.23 -0.76 -0.10 0.00 0.00 174.94 175.64 1u81 s LEU 21 N 1.55 5.08 -0.91 2.97 1.43 0.26 -4.35 118.68 124.71 1u81 s LEU 21 Ca -0.01 -2.39 -0.24 0.00 -1.03 0.00 0.00 54.13 50.46 1u81 s LEU 21 Cb -0.13 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 1u81 s LEU 21 CO -0.04 -0.94 1.96 -0.32 0.23 0.00 0.00 176.35 177.24 1u81 s MET 22 N 2.25 2.51 0.36 1.70 -2.45 -1.25 -2.86 119.30 119.55 1u81 s MET 22 Ca 0.36 -0.31 -0.10 0.00 -1.25 0.00 0.00 55.69 54.39 1u81 s MET 22 Cb -0.04 -5.06 -0.06 0.00 1.25 0.00 0.00 34.83 30.91 1u81 s MET 22 CO -0.06 -3.45 0.70 0.14 1.05 0.00 0.00 175.02 173.39 1u81 s VAL 23 N 10.32 4.84 0.00 10.11 -7.23 0.13 -4.79 120.40 133.78 1u81 s VAL 23 Ca 0.71 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 61.39 1u81 s VAL 23 Cb -0.07 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1u81 s VAL 23 CO 0.00 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 1u81 n GLY 24 N -1.03 0.74 0.00 2.32 0.00 -1.26 -1.45 105.19 104.51 1u81 n GLY 24 Ca 0.01 -0.82 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 -4.48 0.99 4.77 -1.26 -3.64 117.00 113.38 1u81 n LEU 25 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1u81 n LEU 25 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1u81 n LEU 25 CO 0.00 -0.00 -0.37 1.51 -1.33 0.00 0.00 177.39 177.19 1u81 s ASP 26 N -1.35 4.62 0.00 -1.43 1.47 -1.26 -4.51 116.67 114.21 1u81 s ASP 26 Ca 0.00 -0.16 0.00 0.00 1.18 0.00 0.00 52.55 53.57 1u81 s ASP 26 Cb 0.00 -1.68 0.00 0.00 -0.34 0.00 0.00 42.92 40.90 1u81 s ASP 26 CO 0.00 0.19 0.00 0.00 0.68 0.00 0.00 175.17 176.04 1u81 n ALA 27 N 3.38 0.00 -0.04 2.11 0.00 -1.26 -4.96 120.51 119.74 1u81 n ALA 27 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1u81 n ALA 27 Cb 0.53 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 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 0.00 0.15 0.00 0.00 0.00 -1.97 -3.47 119.26 113.97 1u81 h ALA 28 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1u81 h ALA 28 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1u81 h ALA 28 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1u81 n GLY 29 N 0.24 -0.82 0.35 0.00 0.00 -1.26 -4.95 105.19 98.75 1u81 n GLY 29 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 0.87 0.00 1.61 1.57 -1.93 -1.75 116.57 116.94 1u81 h LYS 30 Ca 0.00 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1u81 h LYS 30 Cb 0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1u81 h LYS 30 CO 0.00 0.58 -0.46 1.15 -0.57 0.00 0.00 179.45 180.14 1u81 h THR 31 N 0.90 1.02 0.34 -0.16 2.02 -1.99 -3.04 112.91 111.99 1u81 h THR 31 Ca 0.31 -1.80 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 1u81 h THR 31 Cb 0.12 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1u81 h THR 31 CO -0.10 0.45 -0.16 0.74 0.37 0.00 0.00 175.52 176.82 1u81 h THR 32 N 0.00 0.00 -0.94 3.16 2.02 -1.75 0.26 112.91 115.67 1u81 h THR 32 Ca -0.00 -0.11 0.24 0.00 0.77 0.00 0.00 66.41 67.31 1u81 h THR 32 Cb 1.03 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.26 1u81 h THR 32 CO 0.06 0.00 -0.04 -0.38 0.37 0.00 0.00 175.52 175.53 1u81 n ILE 33 N -3.54 -0.40 -0.15 3.11 5.41 -1.16 0.11 119.36 122.75 1u81 n ILE 33 Ca -0.06 2.09 -0.10 0.00 1.00 0.00 0.00 62.75 65.69 1u81 n ILE 33 Cb 0.18 -3.01 -0.01 0.00 -0.71 0.00 0.00 39.64 36.09 1u81 n ILE 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1u81 h LEU 34 N 0.00 0.68 -1.99 1.39 3.38 -1.41 -2.48 115.31 114.87 1u81 h LEU 34 Ca 0.54 -0.26 0.22 0.00 0.09 0.00 0.00 57.88 58.48 1u81 h LEU 34 Cb 1.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1u81 h LEU 34 CO -0.91 0.76 0.56 0.22 0.09 0.00 0.00 178.44 179.17 1u81 h TYR 35 N 0.56 0.01 0.00 1.13 3.20 0.44 0.07 116.97 122.38 1u81 h TYR 35 Ca 0.13 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1u81 h TYR 35 Cb 0.37 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1u81 h TYR 35 CO 0.03 0.00 -0.00 0.87 -1.64 0.00 0.00 178.16 177.42 1u81 h LYS 36 N 0.01 -0.00 -1.59 1.82 1.79 -0.94 -3.35 116.57 114.30 1u81 h LYS 36 Ca 0.37 0.00 0.49 0.00 -2.18 0.00 0.00 60.65 59.33 1u81 h LYS 36 Cb 1.48 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.02 1u81 h LYS 36 CO -0.01 -0.00 1.09 -0.07 -1.08 0.00 0.00 179.45 179.38 1u81 h LEU 37 N -0.06 0.12 -3.37 2.94 3.38 -1.23 -3.45 115.31 113.64 1u81 h LEU 37 Ca -0.00 0.07 -0.46 0.00 0.09 0.00 0.00 57.88 57.58 1u81 h LEU 37 Cb 0.00 0.07 0.06 0.00 0.09 0.00 0.00 40.66 40.89 1u81 h LEU 37 CO 0.00 -0.11 -0.94 0.29 0.09 0.00 0.00 178.44 177.77 1u81 n LYS 38 N -4.35 -1.02 0.00 1.13 5.02 -0.01 -4.81 118.16 114.12 1u81 n LYS 38 Ca 0.40 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1u81 n LYS 38 Cb 1.68 -3.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 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 -4.25 1.89 0.00 -0.35 4.77 -1.26 -4.83 117.00 112.97 1u81 n LEU 39 Ca -0.10 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1u81 n LEU 39 Cb 0.59 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1u81 n LEU 39 CO 0.68 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1u81 n GLY 40 N 0.31 1.86 1.14 -0.72 0.00 -1.26 -4.59 105.19 101.93 1u81 n GLY 40 Ca 0.00 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.45 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 2.83 0.00 -2.51 1.61 1.02 -1.26 -4.73 120.64 117.60 1u81 n GLU 41 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1u81 n GLU 41 Cb 0.00 -0.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.94 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 -0.06 4.30 -0.48 -3.67 1.01 -1.26 -4.99 121.20 116.05 1u81 s ILE 42 Ca 0.28 1.49 -0.26 0.00 0.00 0.00 0.00 60.65 62.17 1u81 s ILE 42 Cb -0.40 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 37.86 1u81 s ILE 42 CO 0.19 -0.45 0.96 -0.69 0.00 0.00 0.00 174.94 174.95 1u81 s VAL 43 N 4.00 4.41 -1.26 2.92 1.01 -1.26 -4.95 120.40 125.27 1u81 s VAL 43 Ca 0.52 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 63.19 1u81 s VAL 43 Cb -0.15 -4.48 0.17 0.00 0.00 0.00 0.00 36.38 31.92 1u81 s VAL 43 CO 0.19 -0.91 2.09 0.41 0.00 0.00 0.00 175.10 176.88 1u81 n THR 44 N 6.46 5.05 -1.98 3.92 -1.04 -1.26 -4.06 114.28 121.38 1u81 n THR 44 Ca 0.06 -4.66 -0.29 0.00 -2.04 0.00 0.00 64.05 57.13 1u81 n THR 44 Cb 0.48 -2.11 0.13 0.00 -1.82 0.00 0.00 70.33 67.01 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 -1.13 2.04 -0.74 12.58 -4.23 -1.26 -4.94 115.64 117.97 1u81 s THR 45 Ca 0.46 -0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.84 1u81 s THR 45 Cb 0.14 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 71.20 1u81 s THR 45 CO -0.05 0.00 0.60 -0.63 -0.54 0.00 0.00 174.62 174.01 1u81 s ILE 46 N -3.65 4.49 0.00 2.99 1.01 -1.26 -3.29 121.20 121.49 1u81 s ILE 46 Ca 0.67 -2.90 0.00 0.00 0.00 0.00 0.00 60.65 58.42 1u81 s ILE 46 Cb -0.08 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1u81 s ILE 46 CO 0.50 -0.96 0.84 -2.65 0.00 0.00 0.00 174.94 172.67 1u81 n PRO 47 N 3.51 0.00 -3.72 2.79 -0.02 -1.26 -4.81 135.00 131.49 1u81 n PRO 47 Ca 0.12 0.35 -0.26 0.00 -2.02 0.00 0.00 63.50 61.68 1u81 n PRO 47 Cb 0.41 -1.34 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 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 -2.37 5.21 -0.36 3.45 -4.23 -1.26 -4.98 115.64 111.10 1u81 s THR 48 Ca 0.00 -0.49 -0.39 0.00 -1.18 0.00 0.00 61.69 59.63 1u81 s THR 48 Cb 0.00 -3.76 -0.14 0.00 1.34 0.00 0.00 72.50 69.93 1u81 s THR 48 CO 0.00 -0.23 2.02 -0.38 -0.54 0.00 0.00 174.62 175.49 1u81 n ILE 49 N -0.87 0.19 0.00 2.99 -0.00 -1.26 -3.93 119.36 116.48 1u81 n ILE 49 Ca -0.05 -0.13 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1u81 n ILE 49 Cb 0.54 -1.25 0.00 0.00 -0.00 0.00 0.00 39.64 38.93 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 5.93 1.05 3.77 7.39 0.00 -1.26 -4.36 105.19 117.72 1u81 n GLY 50 Ca 0.39 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1u81 n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u81 n PHE 51 N 0.00 2.92 -3.42 1.61 7.35 -1.25 -4.96 117.46 119.71 1u81 n PHE 51 Ca 0.00 0.45 -0.38 0.00 -0.76 0.00 0.00 57.45 56.76 1u81 n PHE 51 Cb 0.00 -2.52 -0.06 0.00 0.35 0.00 0.00 39.48 37.25 1u81 n PHE 51 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1u81 s ASN 52 N -0.21 6.74 -0.03 -2.13 0.01 -1.26 -4.22 114.94 113.84 1u81 s ASN 52 Ca 0.55 0.87 0.04 0.00 -0.71 0.00 0.00 52.86 53.62 1u81 s ASN 52 Cb -0.47 -2.26 -0.00 0.00 0.41 0.00 0.00 41.25 38.92 1u81 s ASN 52 CO 0.62 0.18 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.55 1u81 s VAL 53 N -0.28 1.29 -0.82 1.60 1.01 -1.21 -4.74 120.40 117.25 1u81 s VAL 53 Ca 0.24 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 1u81 s VAL 53 Cb -0.16 -1.10 0.20 0.00 0.00 0.00 0.00 36.38 35.32 1u81 s VAL 53 CO 0.11 0.37 0.79 -1.61 0.00 0.00 0.00 175.10 174.77 1u81 s GLU 54 N -0.04 3.56 -0.51 2.72 2.02 -1.17 -4.10 118.70 121.17 1u81 s GLU 54 Ca -0.01 -2.31 -0.13 0.00 0.02 0.00 0.00 54.97 52.54 1u81 s GLU 54 Cb -0.10 -4.47 -0.12 0.00 0.10 0.00 0.00 34.13 29.54 1u81 s GLU 54 CO 0.01 -1.35 1.71 2.41 0.02 0.00 0.00 175.26 178.06 1u81 n THR 55 N 4.25 1.29 -1.09 3.63 -1.04 -1.26 -1.50 114.28 118.57 1u81 n THR 55 Ca 0.13 -0.90 -0.36 0.00 -2.04 0.00 0.00 64.05 60.87 1u81 n THR 55 Cb 0.47 -2.01 -0.04 0.00 -1.82 0.00 0.00 70.33 66.93 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 5.32 2.33 -4.92 12.58 0.31 -0.68 -4.83 118.33 128.44 1u81 n VAL 56 Ca 0.36 -1.76 -0.29 0.00 -0.01 0.00 0.00 64.34 62.63 1u81 n VAL 56 Cb 0.22 -2.31 -0.17 0.00 -0.91 0.00 0.00 33.84 30.67 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 4.13 2.54 -0.30 5.55 2.02 -1.26 -1.46 118.70 129.92 1u81 s GLU 57 Ca 0.51 -0.70 -0.16 0.00 0.02 0.00 0.00 54.97 54.64 1u81 s GLU 57 Cb 0.13 -1.99 0.17 0.00 0.10 0.00 0.00 34.13 32.54 1u81 s GLU 57 CO 0.04 0.10 1.06 -0.47 0.02 0.00 0.00 175.26 176.00 1u81 s TYR 58 N 0.53 -0.47 0.00 1.61 5.04 -0.75 -4.98 117.35 118.33 1u81 s TYR 58 Ca -0.16 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1u81 s TYR 58 Cb -0.17 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.42 1u81 s TYR 58 CO 0.06 -0.23 0.00 1.63 -1.34 0.00 0.00 175.55 175.66 1u81 n LYS 59 N 4.16 0.00 -0.02 4.97 5.02 -1.26 -3.92 118.16 127.12 1u81 n LYS 59 Ca -0.14 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.13 1u81 n LYS 59 Cb 0.55 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.55 1u81 n LYS 59 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1u81 n ASN 60 N 5.35 3.08 -4.80 4.39 6.94 -1.26 -4.86 115.26 124.09 1u81 n ASN 60 Ca 0.00 -0.01 -0.38 0.00 -0.02 0.00 0.00 54.58 54.17 1u81 n ASN 60 Cb 0.00 -0.07 -0.06 0.00 -2.36 0.00 0.00 39.78 37.29 1u81 n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1u81 s ILE 61 N -2.07 4.91 -0.40 1.53 1.01 -1.25 0.16 121.20 125.09 1u81 s ILE 61 Ca -0.05 1.08 0.02 0.00 0.00 0.00 0.00 60.65 61.70 1u81 s ILE 61 Cb 0.01 -3.84 0.12 0.00 0.01 0.00 0.00 42.46 38.76 1u81 s ILE 61 CO 0.08 0.50 0.17 -0.44 0.00 0.00 0.00 174.94 175.26 1u81 s SER 62 N -0.69 4.07 -0.54 3.58 0.01 0.28 -1.81 113.70 118.60 1u81 s SER 62 Ca 0.27 -2.37 -0.16 0.00 1.31 0.00 0.00 55.95 55.00 1u81 s SER 62 Cb -0.18 -1.21 0.12 0.00 0.21 0.00 0.00 66.02 64.96 1u81 s SER 62 CO 0.16 -0.32 0.52 -0.36 0.41 0.00 0.00 173.24 173.65 1u81 s PHE 63 N 0.64 3.22 -1.16 2.43 0.08 -0.54 -2.87 117.98 119.78 1u81 s PHE 63 Ca 0.14 -1.22 -0.21 0.00 0.12 0.00 0.00 56.93 55.77 1u81 s PHE 63 Cb -0.22 -3.78 0.05 0.00 -0.57 0.00 0.00 43.02 38.50 1u81 s PHE 63 CO -0.07 -1.04 1.63 0.99 -0.10 0.00 0.00 175.22 176.62 1u81 s THR 64 N 1.74 3.99 0.99 0.64 2.01 -1.26 -1.69 115.64 122.06 1u81 s THR 64 Ca 0.04 -1.33 -0.12 0.00 0.31 0.00 0.00 61.69 60.59 1u81 s THR 64 Cb -0.29 -5.08 0.18 0.00 0.01 0.00 0.00 72.50 67.32 1u81 s THR 64 CO 0.04 -1.92 1.08 -0.69 -0.69 0.00 0.00 174.62 172.44 1u81 s VAL 65 N 4.98 2.29 -5.00 3.82 1.01 -0.56 -4.76 120.40 122.17 1u81 s VAL 65 Ca 0.51 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1u81 s VAL 65 Cb 0.02 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1u81 s VAL 65 CO -0.00 -0.12 0.00 -2.67 0.00 0.00 0.00 175.10 172.31 1u81 n TRP 66 N -4.20 0.00 -4.59 5.22 2.14 -1.26 -3.04 117.44 111.71 1u81 n TRP 66 Ca 0.06 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.36 1u81 n TRP 66 Cb 0.56 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.97 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 -1.07 3.23 0.36 -0.67 1.01 -1.26 -4.59 116.67 113.68 1u81 s ASP 67 Ca 0.00 -1.57 -0.25 0.00 0.71 0.00 0.00 52.55 51.44 1u81 s ASP 67 Cb 0.00 0.27 -0.09 0.00 1.01 0.00 0.00 42.92 44.10 1u81 s ASP 67 CO 0.00 -0.78 1.02 0.68 0.21 0.00 0.00 175.17 176.30 1u81 s VAL 68 N -3.07 3.87 0.00 -1.27 -7.23 -1.24 -4.94 120.40 106.53 1u81 s VAL 68 Ca 0.23 1.51 0.00 0.00 -1.81 0.00 0.00 61.98 61.91 1u81 s VAL 68 Cb 0.05 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1u81 s VAL 68 CO 0.12 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 1u81 n GLY 69 N 0.49 -1.80 5.58 2.32 0.00 -1.26 -5.03 105.19 105.49 1u81 n GLY 69 Ca 0.03 0.64 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 1.47 0.00 -0.02 0.00 -1.26 -3.47 105.19 101.91 1u81 n GLY 70 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.23 -2.82 116.55 116.24 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 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 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 2.25 4.92 -3.23 0.11 4.81 -1.26 -4.82 118.16 120.94 1u81 n LYS 73 Ca 0.00 -4.31 -0.22 0.00 -0.87 0.00 0.00 58.31 52.91 1u81 n LYS 73 Cb 0.00 -2.55 0.02 0.00 0.02 0.00 0.00 35.03 32.52 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 0.88 -7.30 -4.01 3.15 3.06 -1.13 -5.03 119.36 108.98 1u81 n ILE 74 Ca 0.45 0.38 -0.18 0.00 -2.50 0.00 0.00 62.75 60.90 1u81 n ILE 74 Cb 0.28 -5.30 -0.16 0.00 0.54 0.00 0.00 39.64 35.00 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 -2.77 0.48 0.00 9.51 6.06 -1.24 -5.04 118.95 125.96 1u81 s ARG 75 Ca 0.27 0.01 0.00 0.00 -2.50 0.00 0.00 55.73 53.51 1u81 s ARG 75 Cb -0.05 -0.61 0.00 0.00 0.06 0.00 0.00 34.95 34.36 1u81 s ARG 75 CO 0.83 -0.12 0.10 -2.30 -2.50 0.00 0.00 175.30 171.31 1u81 n PRO 76 N 4.11 0.14 -0.13 5.12 -0.02 -1.26 -3.80 135.00 139.16 1u81 n PRO 76 Ca -0.26 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.11 1u81 n PRO 76 Cb 0.50 -1.04 -0.02 0.00 -0.02 0.00 0.00 33.50 32.93 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 0.46 0.72 -0.44 2.45 -0.00 -1.96 -2.69 115.31 113.85 1u81 h LEU 77 Ca 0.00 -0.36 0.08 0.00 -0.00 0.00 0.00 57.88 57.60 1u81 h LEU 77 Cb 0.04 -0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 40.43 1u81 h LEU 77 CO 0.00 0.91 -0.01 -0.50 -0.00 0.00 0.00 178.44 178.84 1u81 h TRP 78 N 0.51 -0.04 -0.62 0.17 4.06 -1.96 -0.07 115.95 118.01 1u81 h TRP 78 Ca 0.09 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.13 1u81 h TRP 78 Cb 0.59 0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.78 1u81 h TRP 78 CO 0.05 -0.10 0.34 0.00 -3.56 0.00 0.00 178.44 175.17 1u81 h ARG 79 N 0.10 0.61 0.00 0.49 -0.00 -1.84 0.21 114.38 113.95 1u81 h ARG 79 Ca 0.22 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.66 1u81 h ARG 79 Cb 0.32 -0.14 -0.00 0.00 0.00 0.00 0.00 29.97 30.15 1u81 h ARG 79 CO -0.37 0.40 -0.01 0.45 0.00 0.00 0.00 179.97 180.44 1u81 h HIS 80 N 0.63 0.00 0.07 3.04 3.86 -0.72 -0.39 115.15 121.64 1u81 h HIS 80 Ca 0.27 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.30 1u81 h HIS 80 Cb 0.17 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1u81 h HIS 80 CO -0.09 0.01 -0.91 1.88 0.86 0.00 0.00 177.93 179.69 1u81 h TYR 81 N 0.00 0.29 -0.94 2.45 0.05 0.55 -3.34 116.97 116.03 1u81 h TYR 81 Ca -0.00 -0.21 0.15 0.00 0.05 0.00 0.00 58.73 58.72 1u81 h TYR 81 Cb 0.11 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 37.76 1u81 h TYR 81 CO 0.00 1.35 0.60 0.74 -1.05 0.00 0.00 178.16 179.80 1u81 h PHE 82 N -0.60 0.92 -1.03 4.88 0.04 0.21 0.12 116.94 121.48 1u81 h PHE 82 Ca -0.20 0.03 0.28 0.00 2.80 0.00 0.00 57.97 60.88 1u81 h PHE 82 Cb 1.47 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 39.28 1u81 h PHE 82 CO 0.17 0.32 0.71 1.96 -0.60 0.00 0.00 178.31 180.88 1u81 h GLN 83 N 0.76 0.16 0.00 1.51 4.20 -1.23 -2.98 115.11 117.53 1u81 h GLN 83 Ca 0.48 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 59.05 1u81 h GLN 83 Cb 0.71 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1u81 h GLN 83 CO -0.24 0.10 -1.48 0.27 -0.67 0.00 0.00 178.83 176.81 1u81 n ASN 84 N -4.37 3.30 -4.50 1.46 6.94 -0.52 -5.03 115.26 112.54 1u81 n ASN 84 Ca 0.23 -0.01 -0.49 0.00 -0.02 0.00 0.00 54.58 54.29 1u81 n ASN 84 Cb 1.00 0.51 -0.04 0.00 -2.36 0.00 0.00 39.78 38.89 1u81 n ASN 84 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1u81 n THR 85 N -2.36 1.39 -0.01 5.53 -1.04 0.31 -4.67 114.28 113.44 1u81 n THR 85 Ca -0.12 -0.35 -0.03 0.00 -2.04 0.00 0.00 64.05 61.51 1u81 n THR 85 Cb 0.71 -0.43 -0.01 0.00 -1.82 0.00 0.00 70.33 68.78 1u81 n THR 85 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u81 n GLN 86 N 1.23 0.06 -3.42 -2.82 1.13 0.09 -4.92 117.38 108.73 1u81 n GLN 86 Ca 0.16 0.03 -0.31 0.00 -1.94 0.00 0.00 57.00 54.94 1u81 n GLN 86 Cb 0.24 -0.61 -0.05 0.00 0.11 0.00 0.00 30.24 29.93 1u81 n GLN 86 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1u81 s GLY 87 N -4.91 2.14 -0.41 1.08 0.00 -1.08 -3.26 107.32 100.87 1u81 s GLY 87 Ca -0.04 -0.40 0.06 0.00 0.00 0.00 0.00 44.72 44.33 1u81 s GLY 87 CO 0.05 -0.28 0.45 -0.10 0.00 0.00 0.00 173.10 173.22 1u81 n LEU 88 N -0.37 -0.45 -4.68 0.66 7.94 -0.66 -0.57 117.00 118.86 1u81 n LEU 88 Ca -0.01 -4.40 -0.42 0.00 -1.11 0.00 0.00 56.01 50.08 1u81 n LEU 88 Cb 0.53 0.61 -0.03 0.00 0.53 0.00 0.00 43.42 45.06 1u81 n LEU 88 CO 0.47 1.95 1.37 -0.63 -1.11 0.00 0.00 177.39 179.44 1u81 s ILE 89 N -0.39 3.08 -0.22 1.96 1.01 -1.14 -2.16 121.20 123.34 1u81 s ILE 89 Ca 0.34 0.44 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 1u81 s ILE 89 Cb 0.10 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1u81 s ILE 89 CO -0.16 -0.01 0.06 0.12 0.00 0.00 0.00 174.94 174.95 1u81 s PHE 90 N 3.03 3.13 -0.35 3.97 2.19 0.16 0.18 117.98 130.30 1u81 s PHE 90 Ca 0.76 -0.25 -0.05 0.00 0.33 0.00 0.00 56.93 57.72 1u81 s PHE 90 Cb -0.40 -2.18 0.06 0.00 -1.31 0.00 0.00 43.02 39.19 1u81 s PHE 90 CO 0.33 -0.18 0.11 0.08 1.83 0.00 0.00 175.22 177.39 1u81 s VAL 91 N 1.16 3.58 -0.53 3.12 1.01 -0.52 0.46 120.40 128.68 1u81 s VAL 91 Ca 0.04 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 1u81 s VAL 91 Cb -0.14 -3.11 0.12 0.00 0.00 0.00 0.00 36.38 33.25 1u81 s VAL 91 CO 0.03 -0.26 0.49 -0.69 0.00 0.00 0.00 175.10 174.67 1u81 s VAL 92 N 1.34 5.21 -0.75 2.92 1.01 -1.16 -4.46 120.40 124.51 1u81 s VAL 92 Ca -0.01 -1.45 -0.16 0.00 0.00 0.00 0.00 61.98 60.36 1u81 s VAL 92 Cb -0.20 -4.32 -0.19 0.00 0.00 0.00 0.00 36.38 31.67 1u81 s VAL 92 CO 0.01 -0.84 1.97 -0.67 0.00 0.00 0.00 175.10 175.57 1u81 n ASP 93 N 5.26 -0.01 0.29 3.32 -0.08 -1.26 -4.34 116.55 119.73 1u81 n ASP 93 Ca -0.14 -1.45 0.04 0.00 -1.51 0.00 0.00 54.79 51.74 1u81 n ASP 93 Cb 0.40 -1.15 0.24 0.00 2.34 0.00 0.00 41.12 42.96 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 11.22 0.00 0.00 1.67 0.02 -1.70 -2.24 113.55 122.52 1u81 h SER 94 Ca 0.01 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.67 1u81 h SER 94 Cb 1.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 1u81 h SER 94 CO 1.17 0.00 -1.76 -3.20 -1.14 0.00 0.00 176.83 171.90 1u81 n ASN 95 N -2.45 1.91 -4.49 3.07 5.15 -1.25 -1.25 115.26 115.96 1u81 n ASN 95 Ca -0.01 0.39 -0.42 0.00 -0.60 0.00 0.00 54.58 53.94 1u81 n ASN 95 Cb 0.75 -0.85 -0.10 0.00 -0.53 0.00 0.00 39.78 39.05 1u81 n ASN 95 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1u81 n ASP 96 N -4.37 1.24 -0.00 1.20 -0.08 -0.85 -4.44 116.55 109.25 1u81 n ASP 96 Ca -0.38 0.04 0.04 0.00 -1.51 0.00 0.00 54.79 52.98 1u81 n ASP 96 Cb 0.71 -1.18 -0.06 0.00 2.34 0.00 0.00 41.12 42.94 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 8.54 3.18 -0.13 -0.67 1.85 -1.26 -3.35 116.66 124.82 1u81 n ARG 97 Ca 0.52 -0.02 -0.09 0.00 -1.00 0.00 0.00 57.85 57.26 1u81 n ARG 97 Cb 0.22 -0.99 -0.01 0.00 -1.05 0.00 0.00 32.46 30.63 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 0.00 0.60 -0.03 2.89 3.07 -1.95 -3.22 114.58 115.93 1u81 h GLU 98 Ca 0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1u81 h GLU 98 Cb 0.26 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1u81 h GLU 98 CO 0.00 0.59 0.00 0.54 -1.40 0.00 0.00 179.01 178.74 1u81 n ARG 99 N -4.62 0.27 0.00 2.33 1.74 -1.26 -4.92 116.66 110.20 1u81 n ARG 99 Ca -0.00 -0.96 0.00 0.00 -0.77 0.00 0.00 57.85 56.12 1u81 n ARG 99 Cb 0.17 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 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 0.20 0.00 1.48 1.55 3.14 -1.21 0.80 118.33 124.28 1u81 n VAL 100 Ca 0.03 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.48 1u81 n VAL 100 Cb 0.16 0.00 0.31 0.00 -1.06 0.00 0.00 33.84 33.24 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 -1.82 1.00 -0.36 6.55 6.94 -1.26 -3.84 115.26 122.47 1u81 n ASN 101 Ca 0.00 -1.75 -0.01 0.00 -0.02 0.00 0.00 54.58 52.80 1u81 n ASN 101 Cb 0.00 -0.09 0.14 0.00 -2.36 0.00 0.00 39.78 37.47 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 1.23 1.26 0.52 -3.83 4.81 -0.03 -1.85 114.58 116.68 1u81 h GLU 102 Ca 0.00 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1u81 h GLU 102 Cb 0.27 -0.28 0.01 0.00 0.63 0.00 0.00 28.75 29.37 1u81 h GLU 102 CO 0.00 0.83 -0.25 0.00 -0.73 0.00 0.00 179.01 178.86 1u81 h ALA 103 N 1.40 -0.87 -1.31 2.92 0.00 -1.81 -2.97 119.26 116.61 1u81 h ALA 103 Ca 0.37 -0.15 0.38 0.00 0.00 0.00 0.00 54.91 55.51 1u81 h ALA 103 Cb -0.10 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1u81 h ALA 103 CO -0.09 -0.82 1.06 -2.13 0.00 0.00 0.00 179.25 177.27 1u81 n ARG 104 N -4.49 0.00 0.02 0.00 0.63 -1.09 0.42 116.66 112.14 1u81 n ARG 104 Ca -0.09 0.83 -0.11 0.00 -0.92 0.00 0.00 57.85 57.57 1u81 n ARG 104 Cb 0.27 -1.96 -0.08 0.00 0.45 0.00 0.00 32.46 31.14 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 -0.14 0.49 -0.14 4.39 -1.18 -2.90 114.58 115.11 1u81 h GLU 105 Ca 0.62 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.31 1u81 h GLU 105 Cb 2.75 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 31.43 1u81 h GLU 105 CO -0.01 0.36 -0.24 0.93 -1.16 0.00 0.00 179.01 178.90 1u81 h GLU 106 N -0.87 -0.63 -0.82 2.33 4.39 0.05 -3.08 114.58 115.95 1u81 h GLU 106 Ca -0.01 0.04 0.28 0.00 0.34 0.00 0.00 59.36 60.01 1u81 h GLU 106 Cb 0.56 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.28 1u81 h GLU 106 CO 0.02 -0.42 0.53 -0.11 -1.16 0.00 0.00 179.01 177.87 1u81 n LEU 107 N -4.15 0.12 -0.33 1.33 7.94 0.36 -0.35 117.00 121.92 1u81 n LEU 107 Ca -0.08 0.80 0.25 0.00 -1.11 0.00 0.00 56.01 55.87 1u81 n LEU 107 Cb 0.26 -0.39 0.49 0.00 0.53 0.00 0.00 43.42 44.30 1u81 n LEU 107 CO 0.20 -0.86 1.03 0.24 -1.11 0.00 0.00 177.39 176.88 1u81 h MET 108 N 0.00 0.11 0.11 1.96 2.86 -1.41 -0.47 114.93 118.08 1u81 h MET 108 Ca 0.52 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 58.00 1u81 h MET 108 Cb 1.68 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 33.33 1u81 h MET 108 CO -0.26 0.07 -0.63 0.00 1.06 0.00 0.00 176.91 177.15 1u81 h ARG 109 N 0.11 0.24 -0.78 1.72 -0.00 -0.90 -3.22 114.38 111.54 1u81 h ARG 109 Ca 0.75 -0.40 0.00 0.00 -0.50 0.00 0.00 59.98 59.83 1u81 h ARG 109 Cb 1.84 0.15 0.00 0.00 0.00 0.00 0.00 29.97 31.95 1u81 h ARG 109 CO -0.74 1.19 0.00 -1.33 0.00 0.00 0.00 179.97 179.09 1u81 n MET 110 N -4.23 0.04 -0.03 0.04 2.81 -0.20 -3.08 117.12 112.47 1u81 n MET 110 Ca -0.13 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.74 1u81 n MET 110 Cb 0.75 -1.20 -0.01 0.00 -0.71 0.00 0.00 33.22 32.05 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 0.67 0.64 0.04 4.03 4.77 -1.16 -4.69 117.00 121.30 1u81 n LEU 111 Ca 0.00 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.22 1u81 n LEU 111 Cb 0.01 -0.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.36 1u81 n LEU 111 CO 0.00 -0.47 -0.06 0.00 -1.33 0.00 0.00 177.39 175.53 1u81 h ALA 112 N -1.65 0.47 -0.38 -1.18 0.00 -1.79 -3.48 119.26 111.24 1u81 h ALA 112 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 54.91 53.52 1u81 h ALA 112 Cb 0.22 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u81 h ALA 112 CO 0.00 1.34 0.16 0.39 0.00 0.00 0.00 179.25 181.14 1u81 n GLU 113 N -3.27 0.00 0.08 0.00 -0.58 -1.18 -4.89 120.64 110.80 1u81 n GLU 113 Ca -0.05 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.57 1u81 n GLU 113 Cb 0.97 -0.57 -0.08 0.00 -0.57 0.00 0.00 31.44 31.20 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 1.55 -0.22 -1.49 1.62 5.19 -1.94 -3.26 116.42 117.87 1u81 h ASP 114 Ca -0.18 -0.31 0.44 0.00 -0.62 0.00 0.00 57.03 56.36 1u81 h ASP 114 Cb 0.53 0.06 -0.07 0.00 0.18 0.00 0.00 39.33 40.02 1u81 h ASP 114 CO 0.31 0.27 1.06 -0.33 -3.12 0.00 0.00 179.24 177.44 1u81 h GLU 115 N -0.82 0.03 -1.78 3.56 4.39 -1.91 -0.76 114.58 117.28 1u81 h GLU 115 Ca -0.03 -0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.03 1u81 h GLU 115 Cb 0.52 -0.01 -0.38 0.00 -0.10 0.00 0.00 28.75 28.78 1u81 h GLU 115 CO 0.04 0.02 -0.21 1.28 -1.16 0.00 0.00 179.01 178.99 1u81 n LEU 116 N -4.18 5.47 0.00 1.33 4.77 -1.23 -4.78 117.00 118.39 1u81 n LEU 116 Ca 0.34 -5.21 0.00 0.00 -0.03 0.00 0.00 56.01 51.11 1u81 n LEU 116 Cb 1.54 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1u81 n LEU 116 CO 0.39 2.14 0.25 0.54 -1.33 0.00 0.00 177.39 179.38 1u81 n ARG 117 N -0.44 0.00 0.18 3.23 5.12 -0.29 -4.19 116.66 120.27 1u81 n ARG 117 Ca 0.42 0.30 0.06 0.00 -1.93 0.00 0.00 57.85 56.70 1u81 n ARG 117 Cb 0.50 -1.12 0.22 0.00 -1.16 0.00 0.00 32.46 30.90 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 0.00 0.00 0.55 2.03 -1.90 -3.45 116.42 113.65 1u81 h ASP 118 Ca 0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.08 1u81 h ASP 118 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1u81 h ASP 118 CO 0.00 0.34 0.60 0.00 -1.03 0.00 0.00 179.24 179.15 1u81 n ALA 119 N -2.22 0.10 -1.59 4.15 0.00 -1.25 -4.65 120.51 115.05 1u81 n ALA 119 Ca 0.01 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1u81 n ALA 119 Cb 0.59 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1u81 n ALA 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u81 n VAL 120 N 2.66 0.32 -2.46 0.00 0.31 -1.20 -4.66 118.33 113.29 1u81 n VAL 120 Ca 0.23 -0.47 -0.43 0.00 -0.01 0.00 0.00 64.34 63.66 1u81 n VAL 120 Cb 0.00 -2.54 -0.02 0.00 -0.91 0.00 0.00 33.84 30.37 1u81 n VAL 120 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1u81 s LEU 121 N 8.44 3.80 -0.78 7.52 2.96 -0.92 -1.65 118.68 138.04 1u81 s LEU 121 Ca 1.01 1.02 -0.14 0.00 -0.22 0.00 0.00 54.13 55.80 1u81 s LEU 121 Cb -0.35 -3.54 0.20 0.00 0.50 0.00 0.00 46.19 43.00 1u81 s LEU 121 CO 0.35 -1.14 0.72 -0.22 -1.32 0.00 0.00 176.35 174.75 1u81 s LEU 122 N 4.47 6.67 -1.00 -0.68 2.96 -0.92 -1.48 118.68 128.70 1u81 s LEU 122 Ca 0.54 -2.54 -0.23 0.00 -0.22 0.00 0.00 54.13 51.68 1u81 s LEU 122 Cb -0.14 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 1u81 s LEU 122 CO 0.25 -0.62 1.80 -0.69 -1.32 0.00 0.00 176.35 175.77 1u81 s VAL 123 N 0.40 3.63 -0.86 1.68 1.01 0.34 0.36 120.40 126.96 1u81 s VAL 123 Ca 0.15 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 1u81 s VAL 123 Cb -0.13 -4.45 0.05 0.00 0.00 0.00 0.00 36.38 31.85 1u81 s VAL 123 CO -0.07 -1.29 1.32 -0.36 0.00 0.00 0.00 175.10 174.70 1u81 s PHE 124 N 8.48 2.47 -1.11 5.22 0.08 0.17 -3.07 117.98 130.23 1u81 s PHE 124 Ca 0.62 -0.51 -0.13 0.00 0.12 0.00 0.00 56.93 57.04 1u81 s PHE 124 Cb -0.03 -4.61 0.20 0.00 -0.57 0.00 0.00 43.02 38.01 1u81 s PHE 124 CO -0.00 -1.95 1.25 0.00 -0.10 0.00 0.00 175.22 174.41 1u81 s ALA 125 N 5.09 4.14 0.32 5.36 0.00 -1.10 -3.00 121.76 132.57 1u81 s ALA 125 Ca 0.38 -3.42 0.03 0.00 0.00 0.00 0.00 51.96 48.95 1u81 s ALA 125 Cb -0.05 -3.91 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 1u81 s ALA 125 CO 0.03 -2.60 0.49 1.21 0.00 0.00 0.00 175.76 174.89 1u81 s ASN 126 N 2.45 6.23 0.00 0.00 2.47 -1.26 -3.14 114.94 121.70 1u81 s ASN 126 Ca 0.36 0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.89 1u81 s ASN 126 Cb -0.06 -1.86 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 1u81 s ASN 126 CO -0.04 -0.27 0.00 0.29 -3.72 0.00 0.00 177.10 173.36 1u81 n LYS 127 N -1.67 0.00 0.01 0.43 5.02 -1.26 -2.47 118.16 118.22 1u81 n LYS 127 Ca -0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.21 1u81 n LYS 127 Cb 0.57 -2.76 -0.02 0.00 -0.02 0.00 0.00 35.03 32.80 1u81 n LYS 127 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1u81 h GLN 128 N 0.00 -0.13 -1.79 1.97 1.08 -1.90 -3.32 115.11 111.02 1u81 h GLN 128 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1u81 h GLN 128 Cb 0.92 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1u81 h GLN 128 CO 0.00 -0.03 0.00 -0.40 -0.95 0.00 0.00 178.83 177.45 1u81 n ASP 129 N -4.86 0.76 -4.81 1.46 5.75 -1.26 -4.75 116.55 108.85 1u81 n ASP 129 Ca -0.02 -0.56 -0.37 0.00 -0.01 0.00 0.00 54.79 53.83 1u81 n ASP 129 Cb 0.08 -0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.00 4.36 0.14 -2.12 1.43 -1.25 -5.03 118.68 116.21 1u81 s LEU 130 Ca 0.00 0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 53.46 1u81 s LEU 130 Cb 0.00 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 1u81 s LEU 130 CO 0.00 0.26 1.57 -0.65 0.23 0.00 0.00 176.35 177.76 1u81 h PRO 131 N 5.54 -0.42 -1.76 1.29 0.11 -1.94 -2.41 132.00 132.42 1u81 h PRO 131 Ca -0.48 0.03 -0.43 0.00 0.11 0.00 0.00 66.00 65.22 1u81 h PRO 131 Cb 1.20 0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.24 1u81 h PRO 131 CO 0.66 -0.28 0.42 -1.71 -0.21 0.00 0.00 178.00 176.88 1u81 n ASN 132 N -5.42 6.52 -3.07 -2.05 5.15 -1.26 -4.93 115.26 110.20 1u81 n ASN 132 Ca -0.03 -3.17 -0.07 0.00 -0.60 0.00 0.00 54.58 50.71 1u81 n ASN 132 Cb 0.36 -1.15 0.02 0.00 -0.53 0.00 0.00 39.78 38.48 1u81 n ASN 132 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u81 n ALA 133 N 0.58 0.45 -2.79 5.20 0.00 -0.91 -4.61 120.51 118.43 1u81 n ALA 133 Ca 0.42 -0.77 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 1u81 n ALA 133 Cb 0.57 0.21 -0.11 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.96 3.28 0.88 0.00 -1.94 -0.38 -4.96 119.30 113.22 1u81 s MET 134 Ca 0.22 -0.49 -0.13 0.00 -1.71 0.00 0.00 55.69 53.57 1u81 s MET 134 Cb -0.02 -2.81 0.03 0.00 2.01 0.00 0.00 34.83 34.04 1u81 s MET 134 CO 0.14 0.47 0.54 0.27 -0.01 0.00 0.00 175.02 176.42 1u81 n ASN 135 N 2.85 -1.50 -0.32 3.03 0.23 -1.26 -4.65 115.26 113.64 1u81 n ASN 135 Ca -0.18 0.42 -0.07 0.00 -0.53 0.00 0.00 54.58 54.22 1u81 n ASN 135 Cb 0.53 -1.25 -0.04 0.00 -2.08 0.00 0.00 39.78 36.94 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 -1.24 -0.28 -0.18 -2.53 0.00 -1.98 -2.36 119.26 110.69 1u81 h ALA 136 Ca -0.44 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1u81 h ALA 136 Cb 1.30 1.11 0.00 0.00 0.00 0.00 0.00 17.79 20.20 1u81 h ALA 136 CO 0.37 -0.83 -0.37 0.00 0.00 0.00 0.00 179.25 178.42 1u81 h ALA 137 N 0.76 0.29 0.00 0.00 0.00 -2.02 -2.79 119.26 115.50 1u81 h ALA 137 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u81 h ALA 137 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1u81 h ALA 137 CO -0.85 0.37 0.00 -0.85 0.00 0.00 0.00 179.25 177.93 1u81 n GLU 138 N -4.28 0.09 0.05 0.00 0.28 -1.02 -1.21 120.64 114.54 1u81 n GLU 138 Ca -0.06 0.50 -0.13 0.00 -0.16 0.00 0.00 57.16 57.31 1u81 n GLU 138 Cb 0.52 -1.74 -0.08 0.00 1.43 0.00 0.00 31.44 31.57 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 0.13 3.84 1.08 -1.14 -2.22 117.51 120.29 1u81 h ILE 139 Ca 0.00 -0.54 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 1u81 h ILE 139 Cb 0.11 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1u81 h ILE 139 CO 0.00 0.14 -0.06 0.74 -0.69 0.00 0.00 178.15 178.27 1u81 h THR 140 N -0.33 0.97 0.00 -0.27 2.02 -1.27 -3.26 112.91 110.77 1u81 h THR 140 Ca -0.01 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1u81 h THR 140 Cb 0.29 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1u81 h THR 140 CO 0.01 0.10 0.00 -0.67 0.37 0.00 0.00 175.52 175.33 1u81 n ASP 141 N -5.08 0.00 0.20 4.18 2.03 -0.64 0.16 116.55 117.39 1u81 n ASP 141 Ca -0.09 0.55 0.03 0.00 0.52 0.00 0.00 54.79 55.80 1u81 n ASP 141 Cb 0.16 -0.19 0.04 0.00 -0.72 0.00 0.00 41.12 40.41 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 -1.87 0.02 -0.13 -0.67 4.76 -0.84 0.11 118.16 119.55 1u81 n LYS 142 Ca 0.00 0.73 -0.26 0.00 -2.87 0.00 0.00 58.31 55.91 1u81 n LYS 142 Cb 0.00 -1.94 -0.11 0.00 -1.84 0.00 0.00 35.03 31.14 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 -2.11 2.23 0.00 -0.35 4.77 0.42 -4.26 117.00 117.70 1u81 n LEU 143 Ca 0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1u81 n LEU 143 Cb 0.81 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1u81 n LEU 143 CO 0.02 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1u81 n GLY 144 N 1.55 0.90 1.27 -0.72 0.00 0.31 -4.98 105.19 103.53 1u81 n GLY 144 Ca -0.49 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 3.79 -0.00 0.99 4.77 -1.25 -3.86 117.00 121.44 1u81 n LEU 145 Ca 0.00 -1.87 -0.17 0.00 -0.03 0.00 0.00 56.01 53.94 1u81 n LEU 145 Cb 0.00 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 1u81 n LEU 145 CO 0.00 0.92 -0.72 1.57 -1.33 0.00 0.00 177.39 177.83 1u81 n HIS 146 N 1.56 1.19 0.04 -1.77 -0.00 -1.26 -4.36 115.22 110.62 1u81 n HIS 146 Ca 0.23 0.30 -0.16 0.00 0.46 0.00 0.00 57.72 58.54 1u81 n HIS 146 Cb 0.61 -1.17 -0.14 0.00 -0.12 0.00 0.00 29.99 29.17 1u81 n HIS 146 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1u81 h SER 147 N 0.05 0.33 -3.40 0.26 4.64 -1.97 -3.46 113.55 110.00 1u81 h SER 147 Ca -0.38 -0.51 -0.52 0.00 -0.47 0.00 0.00 61.79 59.90 1u81 h SER 147 Cb 2.03 -0.11 0.05 0.00 -0.31 0.00 0.00 62.40 64.06 1u81 h SER 147 CO 0.09 1.43 0.70 -0.76 -0.87 0.00 0.00 176.83 177.42 1u81 s LEU 148 N -6.87 4.40 0.43 5.97 1.43 -1.25 -5.04 118.68 117.76 1u81 s LEU 148 Ca -0.10 2.53 0.06 0.00 -1.03 0.00 0.00 54.13 55.60 1u81 s LEU 148 Cb 0.07 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1u81 s LEU 148 CO 0.84 -0.61 0.15 -0.13 0.23 0.00 0.00 176.35 176.83 1u81 s ARG 149 N -0.28 2.18 0.00 1.70 1.81 -1.26 -4.71 118.95 118.38 1u81 s ARG 149 Ca 0.58 -1.96 0.00 0.00 -1.72 0.00 0.00 55.73 52.62 1u81 s ARG 149 Cb -0.39 -1.88 0.00 0.00 -0.45 0.00 0.00 34.95 32.23 1u81 s ARG 149 CO 0.41 -0.17 0.00 0.72 -0.68 0.00 0.00 175.30 175.58 1u81 n HIS 150 N -1.23 0.00 -1.63 -0.53 8.25 -1.26 -4.91 115.22 113.90 1u81 n HIS 150 Ca -0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 1u81 n HIS 150 Cb 0.65 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 31.71 1u81 n HIS 150 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1u81 n ARG 151 N -0.18 1.42 -2.71 -0.41 0.63 -1.26 -4.90 116.66 109.25 1u81 n ARG 151 Ca 0.00 0.51 -0.43 0.00 -0.92 0.00 0.00 57.85 57.01 1u81 n ARG 151 Cb 0.00 -2.15 -0.03 0.00 0.45 0.00 0.00 32.46 30.74 1u81 n ARG 151 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1u81 s ASN 152 N -0.77 6.79 0.25 6.15 3.84 -1.26 -4.97 114.94 124.97 1u81 s ASN 152 Ca 0.65 0.79 -0.12 0.00 0.21 0.00 0.00 52.86 54.38 1u81 s ASN 152 Cb -0.52 -2.51 0.05 0.00 -0.55 0.00 0.00 41.25 37.72 1u81 s ASN 152 CO 0.55 -0.91 0.64 -2.67 -2.79 0.00 0.00 177.10 171.93 1u81 n TRP 153 N 6.93 -1.79 -3.64 0.43 4.27 -1.26 -2.18 117.44 120.21 1u81 n TRP 153 Ca 0.10 -1.27 -0.05 0.00 -3.89 0.00 0.00 57.50 52.38 1u81 n TRP 153 Cb 0.48 0.63 -0.06 0.00 -1.36 0.00 0.00 31.31 31.00 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 -3.66 -0.20 -0.22 -2.67 5.04 -0.55 -4.88 117.35 110.21 1u81 s TYR 154 Ca 0.13 0.46 -0.04 0.00 -2.44 0.00 0.00 57.07 55.18 1u81 s TYR 154 Cb -0.03 0.45 0.08 0.00 0.35 0.00 0.00 41.96 42.81 1u81 s TYR 154 CO 0.08 -0.12 0.15 -1.50 -1.34 0.00 0.00 175.55 172.82 1u81 s ILE 155 N -0.20 -0.16 0.27 3.14 2.07 -1.26 0.13 121.20 125.19 1u81 s ILE 155 Ca 0.05 -0.35 0.10 0.00 -1.41 0.00 0.00 60.65 59.05 1u81 s ILE 155 Cb -0.04 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.76 1u81 s ILE 155 CO -0.10 -0.41 -0.16 -1.58 -1.91 0.00 0.00 174.94 170.78 1u81 s GLN 156 N 2.19 1.61 -0.21 3.50 2.00 -1.17 -5.01 119.66 122.57 1u81 s GLN 156 Ca 0.06 -1.76 -0.29 0.00 -2.00 0.00 0.00 55.36 51.37 1u81 s GLN 156 Cb -0.16 -1.57 -0.01 0.00 0.80 0.00 0.00 33.01 32.07 1u81 s GLN 156 CO -0.20 0.25 1.30 0.00 -0.50 0.00 0.00 175.29 176.14 1u81 s ALA 157 N -2.67 3.54 -0.10 1.58 0.00 -1.26 -2.69 121.76 120.16 1u81 s ALA 157 Ca 0.29 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1u81 s ALA 157 Cb -0.02 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1u81 s ALA 157 CO 0.13 -1.42 0.02 0.95 0.00 0.00 0.00 175.76 175.45 1u81 s THR 158 N 3.89 4.48 -0.32 0.00 -4.23 -1.19 -3.79 115.64 114.49 1u81 s THR 158 Ca 0.56 -0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 1u81 s THR 158 Cb -0.20 -2.91 0.10 0.00 1.34 0.00 0.00 72.50 70.83 1u81 s THR 158 CO 0.18 0.59 0.07 0.00 -0.54 0.00 0.00 174.62 174.93 1u81 h ALA 160 N 7.90 0.25 -0.38 0.00 0.00 -1.88 0.17 119.26 125.32 1u81 h ALA 160 Ca -0.10 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1u81 h ALA 160 Cb 1.02 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1u81 h ALA 160 CO 0.49 -0.01 -0.35 1.79 0.00 0.00 0.00 179.25 181.16 1u81 h THR 161 N 0.07 0.00 0.03 0.00 1.35 -1.95 -2.99 112.91 109.43 1u81 h THR 161 Ca 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1u81 h THR 161 Cb 0.43 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1u81 h THR 161 CO 0.01 0.00 -0.01 0.77 -0.25 0.00 0.00 175.52 176.04 1u81 h SER 162 N -0.16 -0.03 0.00 5.36 4.64 -2.01 -3.48 113.55 117.86 1u81 h SER 162 Ca 0.06 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1u81 h SER 162 Cb 0.33 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1u81 h SER 162 CO -0.44 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1u81 n GLY 163 N 0.67 1.39 3.25 -0.77 0.00 0.55 -5.13 105.19 105.15 1u81 n GLY 163 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.11 0.00 1.61 2.03 -0.93 -2.52 116.55 113.63 1u81 n ASP 164 Ca 0.00 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1u81 n ASP 164 Cb 0.00 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 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 2.26 0.98 0.17 0.27 0.00 -1.25 -1.01 105.19 106.61 1u81 n GLY 165 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.51 0.55 0.99 3.38 -1.78 -3.15 115.31 115.81 1u81 h LEU 166 Ca 0.00 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1u81 h LEU 166 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1u81 h LEU 166 CO 0.00 0.81 -0.49 0.22 0.09 0.00 0.00 178.44 179.07 1u81 h TYR 167 N 0.22 -1.36 -0.71 1.13 3.20 -1.84 -0.84 116.97 116.77 1u81 h TYR 167 Ca 0.05 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.09 1u81 h TYR 167 Cb 0.62 0.52 -0.04 0.00 1.54 0.00 0.00 36.73 39.36 1u81 h TYR 167 CO 0.06 -0.67 0.49 0.93 -1.64 0.00 0.00 178.16 177.33 1u81 h GLU 168 N -1.03 0.26 0.18 1.82 3.07 -1.95 -1.97 114.58 114.96 1u81 h GLU 168 Ca -0.07 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1u81 h GLU 168 Cb 0.87 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1u81 h GLU 168 CO -0.03 0.17 -0.09 0.78 -1.40 0.00 0.00 179.01 178.45 1u81 h GLY 169 N 0.27 -0.25 0.69 -3.84 0.00 -1.41 -2.79 103.07 95.73 1u81 h GLY 169 Ca 0.35 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.80 1u81 h GLY 169 CO -0.08 -0.09 -0.01 1.41 0.00 0.00 0.00 176.54 177.76 1u81 h LEU 170 N -0.90 -0.10 0.66 3.11 3.38 -0.76 -0.69 115.31 120.01 1u81 h LEU 170 Ca -0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1u81 h LEU 170 Cb 0.50 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1u81 h LEU 170 CO 0.04 -0.03 -0.33 -0.78 0.09 0.00 0.00 178.44 177.43 1u81 h ASP 171 N 0.04 -0.79 -0.76 -0.43 3.58 -1.52 -2.01 116.42 114.53 1u81 h ASP 171 Ca 0.09 0.03 0.15 0.00 0.42 0.00 0.00 57.03 57.72 1u81 h ASP 171 Cb 0.12 0.21 -0.10 0.00 1.72 0.00 0.00 39.33 41.28 1u81 h ASP 171 CO -0.16 -0.55 0.28 -0.25 -2.88 0.00 0.00 179.24 175.68 1u81 h TRP 172 N -0.91 0.48 0.27 0.28 7.01 -1.39 -2.02 115.95 119.67 1u81 h TRP 172 Ca -0.09 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 1u81 h TRP 172 Cb 0.70 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 1u81 h TRP 172 CO -0.04 0.03 -0.26 1.25 -2.79 0.00 0.00 178.44 176.63 1u81 h LEU 173 N 0.41 -0.71 -0.78 0.65 5.85 -0.93 -0.90 115.31 118.90 1u81 h LEU 173 Ca 0.42 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.31 1u81 h LEU 173 Cb 0.67 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 41.80 1u81 h LEU 173 CO -0.43 -0.35 -0.44 -1.28 -0.34 0.00 0.00 178.44 175.61 1u81 h SER 174 N -0.53 -1.55 -0.53 1.25 0.87 -0.89 0.86 113.55 113.03 1u81 h SER 174 Ca -0.03 0.28 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 1u81 h SER 174 Cb 0.45 0.74 -0.06 0.00 -0.44 0.00 0.00 62.40 63.09 1u81 h SER 174 CO -0.02 -0.30 0.17 0.78 -0.53 0.00 0.00 176.83 176.93 1u81 h ASN 175 N -0.11 0.15 0.89 6.23 2.35 -1.29 -2.79 115.58 121.00 1u81 h ASN 175 Ca 0.24 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 56.01 1u81 h ASN 175 Cb 0.55 0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.99 1u81 h ASN 175 CO -0.83 0.11 -0.43 1.56 -1.65 0.00 0.00 177.43 176.20 1u81 h GLN 176 N 0.34 -1.15 -0.29 0.81 1.08 0.55 -1.99 115.11 114.47 1u81 h GLN 176 Ca 0.26 0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.57 1u81 h GLN 176 Cb 0.31 0.26 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 1u81 h GLN 176 CO -0.28 -0.77 -0.32 -0.07 -0.95 0.00 0.00 178.83 176.45 1u81 h LEU 177 N -1.19 -1.08 -0.72 1.46 3.38 -0.90 0.32 115.31 116.58 1u81 h LEU 177 Ca -0.12 0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1u81 h LEU 177 Cb 0.91 0.45 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1u81 h LEU 177 CO 0.20 -0.21 -0.14 -0.09 0.09 0.00 0.00 178.44 178.29 1u81 h ARG 178 N -0.19 0.84 0.02 1.13 2.43 -1.59 -3.15 114.38 113.88 1u81 h ARG 178 Ca 0.05 -0.30 -0.21 0.00 -0.81 0.00 0.00 59.98 58.71 1u81 h ARG 178 Cb 0.32 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1u81 h ARG 178 CO -0.37 0.93 -0.96 -0.91 -1.51 0.00 0.00 179.97 177.15 1u81 h ASN 179 N 0.75 0.19 -0.50 -3.80 2.35 -1.00 -3.33 115.58 110.24 1u81 h ASN 179 Ca 0.12 -0.18 0.10 0.00 -0.55 0.00 0.00 56.30 55.79 1u81 h ASN 179 Cb 0.65 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.87 1u81 h ASN 179 CO 0.05 1.04 -0.01 1.56 -1.65 0.00 0.00 177.43 178.42 1u81 h GLN 180 N 0.06 0.11 -0.01 0.81 4.20 -0.32 -3.50 115.11 116.45 1u81 h GLN 180 Ca -0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1u81 h GLN 180 Cb 1.64 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.40 1u81 h GLN 180 CO 0.14 0.07 0.00 1.63 -0.67 0.00 0.00 178.83 180.00