#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 3.71 -0.25 3.17 3.52 -1.19 -0.48 118.95 127.43 1u81 s ARG 19 Ca 0.00 -0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.34 1u81 s ARG 19 Cb 0.00 -3.19 0.07 0.00 -1.56 0.00 0.00 34.95 30.27 1u81 s ARG 19 CO 0.00 0.50 0.01 0.42 -0.81 0.00 0.00 175.30 175.42 1u81 s ILE 20 N -0.25 1.25 -0.98 4.11 1.09 -0.47 0.47 121.20 126.42 1u81 s ILE 20 Ca 0.09 -1.24 -0.22 0.00 -1.10 0.00 0.00 60.65 58.18 1u81 s ILE 20 Cb -0.12 -1.70 0.07 0.00 -1.06 0.00 0.00 42.46 39.65 1u81 s ILE 20 CO 0.01 -0.30 1.36 -0.76 -0.10 0.00 0.00 174.94 175.14 1u81 s LEU 21 N 1.49 3.88 -0.94 2.97 1.43 -1.08 -4.14 118.68 122.30 1u81 s LEU 21 Ca 0.00 -1.55 -0.24 0.00 -1.03 0.00 0.00 54.13 51.31 1u81 s LEU 21 Cb -0.18 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1u81 s LEU 21 CO -0.11 -1.41 1.90 -0.32 0.23 0.00 0.00 176.35 176.64 1u81 s MET 22 N 4.43 2.65 0.22 1.70 -2.45 -1.25 -2.84 119.30 121.77 1u81 s MET 22 Ca 0.42 -0.45 -0.11 0.00 -1.25 0.00 0.00 55.69 54.30 1u81 s MET 22 Cb -0.02 -5.11 -0.07 0.00 1.25 0.00 0.00 34.83 30.88 1u81 s MET 22 CO -0.09 -3.32 0.57 0.14 1.05 0.00 0.00 175.02 173.37 1u81 s VAL 23 N 9.69 4.89 0.00 10.11 -7.23 0.24 -4.62 120.40 133.48 1u81 s VAL 23 Ca 0.68 0.60 0.00 0.00 -1.81 0.00 0.00 61.98 61.45 1u81 s VAL 23 Cb -0.06 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1u81 s VAL 23 CO -0.00 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1u81 n GLY 24 N 0.05 0.53 0.00 2.32 0.00 -1.26 -0.88 105.19 105.95 1u81 n GLY 24 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.72 0.99 4.77 -1.26 -4.16 117.00 112.62 1u81 n LEU 25 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 1u81 n LEU 25 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1u81 n LEU 25 CO 0.00 -0.42 0.33 1.51 -1.33 0.00 0.00 177.39 177.48 1u81 s ASP 26 N -1.54 6.90 -0.56 -1.43 1.47 -1.26 -4.09 116.67 116.15 1u81 s ASP 26 Ca 0.00 1.08 0.00 0.00 1.18 0.00 0.00 52.55 54.81 1u81 s ASP 26 Cb 0.00 -2.37 0.00 0.00 -0.34 0.00 0.00 42.92 40.21 1u81 s ASP 26 CO 0.00 -0.08 0.00 0.00 0.68 0.00 0.00 175.17 175.77 1u81 n ALA 27 N 3.76 -0.19 -0.04 2.11 0.00 -1.26 -4.98 120.51 119.92 1u81 n ALA 27 Ca -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 1u81 n ALA 27 Cb 0.51 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 0.29 -0.04 0.00 0.00 0.00 -1.91 -3.49 119.26 114.12 1u81 h ALA 28 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u81 h ALA 28 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1u81 h ALA 28 CO 0.18 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1u81 n GLY 29 N 1.65 0.00 0.14 0.00 0.00 -1.26 -4.83 105.19 100.89 1u81 n GLY 29 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 0.16 -0.03 1.61 1.57 -1.93 -1.87 116.57 116.08 1u81 h LYS 30 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1u81 h LYS 30 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1u81 h LYS 30 CO 0.00 0.11 -0.55 1.15 -0.57 0.00 0.00 179.45 179.59 1u81 h THR 31 N 0.17 1.38 0.77 -0.16 2.02 -1.99 -3.07 112.91 112.02 1u81 h THR 31 Ca 0.14 -1.88 -0.04 0.00 0.77 0.00 0.00 66.41 65.41 1u81 h THR 31 Cb 0.16 1.97 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1u81 h THR 31 CO -0.19 0.54 -0.37 0.74 0.37 0.00 0.00 175.52 176.61 1u81 h THR 32 N 0.08 0.02 -0.88 3.16 2.02 -1.85 -0.34 112.91 115.12 1u81 h THR 32 Ca -0.00 -0.24 0.24 0.00 0.77 0.00 0.00 66.41 67.18 1u81 h THR 32 Cb 1.00 0.03 -0.15 0.00 -1.74 0.00 0.00 68.15 67.29 1u81 h THR 32 CO 0.08 0.00 0.19 0.40 0.37 0.00 0.00 175.52 176.55 1u81 h ILE 33 N -1.27 0.27 -0.40 3.11 2.04 -1.41 0.47 117.51 120.31 1u81 h ILE 33 Ca -0.11 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1u81 h ILE 33 Cb 0.80 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1u81 h ILE 33 CO 0.17 0.03 0.22 -0.07 0.00 0.00 0.00 178.15 178.50 1u81 h LEU 34 N 0.16 0.51 -1.70 1.44 3.38 -1.42 -1.63 115.31 116.06 1u81 h LEU 34 Ca 0.55 -0.10 0.27 0.00 0.09 0.00 0.00 57.88 58.70 1u81 h LEU 34 Cb 1.11 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1u81 h LEU 34 CO -0.70 0.46 0.70 0.22 0.09 0.00 0.00 178.44 179.21 1u81 h TYR 35 N 0.52 0.32 0.02 1.13 3.20 0.17 -0.36 116.97 121.97 1u81 h TYR 35 Ca 0.14 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1u81 h TYR 35 Cb 0.07 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1u81 h TYR 35 CO -0.02 0.04 -0.01 0.87 -1.64 0.00 0.00 178.16 177.40 1u81 h LYS 36 N 0.20 -0.03 -0.92 1.82 1.79 -0.89 -3.37 116.57 115.18 1u81 h LYS 36 Ca 0.53 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 59.20 1u81 h LYS 36 Cb 1.69 0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 32.17 1u81 h LYS 36 CO -0.14 -0.02 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.00 1u81 h LEU 37 N -1.00 -0.71 0.82 2.94 3.38 -0.55 -3.44 115.31 116.75 1u81 h LEU 37 Ca -0.00 0.27 -0.20 0.00 0.09 0.00 0.00 57.88 58.03 1u81 h LEU 37 Cb 0.03 0.53 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 1u81 h LEU 37 CO 0.01 -0.30 -0.18 0.29 0.09 0.00 0.00 178.44 178.34 1u81 n LYS 38 N -5.54 -1.40 -0.09 1.13 5.02 -0.22 -4.79 118.16 112.28 1u81 n LYS 38 Ca 0.16 0.64 -0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1u81 n LYS 38 Cb 0.54 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.79 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 -1.47 3.40 0.00 -0.35 4.77 -1.26 -4.85 117.00 117.24 1u81 n LEU 39 Ca -0.10 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 1u81 n LEU 39 Cb 0.38 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1u81 n LEU 39 CO 0.15 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1u81 n GLY 40 N 0.65 -0.55 3.08 -0.72 0.00 -1.26 -4.62 105.19 101.76 1u81 n GLY 40 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 1u81 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u81 s GLU 41 N -1.78 0.58 -0.99 1.61 2.02 -1.26 -5.10 118.70 113.77 1u81 s GLU 41 Ca 0.00 -1.13 -0.12 0.00 0.02 0.00 0.00 54.97 53.74 1u81 s GLU 41 Cb 0.00 0.17 0.25 0.00 0.10 0.00 0.00 34.13 34.65 1u81 s GLU 41 CO 0.00 -0.10 0.98 0.42 0.02 0.00 0.00 175.26 176.58 1u81 s ILE 42 N -3.52 5.77 -1.12 -1.63 1.01 -1.26 -4.17 121.20 116.28 1u81 s ILE 42 Ca 0.04 -2.94 -0.22 0.00 0.00 0.00 0.00 60.65 57.53 1u81 s ILE 42 Cb 0.05 -4.56 0.02 0.00 0.01 0.00 0.00 42.46 37.98 1u81 s ILE 42 CO -0.08 -1.14 1.69 -0.69 0.00 0.00 0.00 174.94 174.71 1u81 s VAL 43 N -0.45 3.86 -1.53 2.92 1.01 -1.25 -4.86 120.40 120.10 1u81 s VAL 43 Ca 0.26 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 1u81 s VAL 43 Cb -0.10 -4.88 -0.02 0.00 0.00 0.00 0.00 36.38 31.38 1u81 s VAL 43 CO -0.08 -1.69 2.70 0.41 0.00 0.00 0.00 175.10 176.44 1u81 n THR 44 N 7.00 4.34 -2.36 3.92 -1.04 -1.26 0.28 114.28 125.16 1u81 n THR 44 Ca 0.41 -3.03 -0.26 0.00 -2.04 0.00 0.00 64.05 59.14 1u81 n THR 44 Cb 0.48 -2.52 0.14 0.00 -1.82 0.00 0.00 70.33 66.62 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 1.70 2.05 -0.51 12.58 -4.23 -0.72 -4.79 115.64 121.72 1u81 s THR 45 Ca 0.62 -0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.73 1u81 s THR 45 Cb 0.17 -2.67 0.13 0.00 1.34 0.00 0.00 72.50 71.48 1u81 s THR 45 CO -0.07 0.00 0.31 -0.63 -0.54 0.00 0.00 174.62 173.69 1u81 s ILE 46 N -3.44 3.33 0.01 2.99 1.01 -1.26 -0.64 121.20 123.20 1u81 s ILE 46 Ca 0.70 -2.62 -0.06 0.00 0.00 0.00 0.00 60.65 58.66 1u81 s ILE 46 Cb -0.04 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1u81 s ILE 46 CO 0.48 -0.78 0.97 -0.65 0.00 0.00 0.00 174.94 174.96 1u81 h PRO 47 N 7.39 -0.22 -6.65 2.79 0.11 -1.89 -3.46 132.00 130.07 1u81 h PRO 47 Ca -0.07 0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.58 1u81 h PRO 47 Cb 0.99 0.05 0.02 0.00 0.11 0.00 0.00 31.00 32.17 1u81 h PRO 47 CO 0.69 -0.15 -0.10 0.95 -0.21 0.00 0.00 178.00 179.18 1u81 s THR 48 N -3.27 4.79 -0.64 -1.15 -4.23 -1.25 -4.95 115.64 104.93 1u81 s THR 48 Ca -0.03 -0.33 -0.26 0.00 -1.18 0.00 0.00 61.69 59.88 1u81 s THR 48 Cb 0.00 -3.77 -0.12 0.00 1.34 0.00 0.00 72.50 69.96 1u81 s THR 48 CO 0.10 -0.56 2.45 -0.38 -0.54 0.00 0.00 174.62 175.69 1u81 n ILE 49 N -1.96 -0.06 0.00 2.99 -0.00 -1.26 -3.34 119.36 115.73 1u81 n ILE 49 Ca -0.02 -0.62 0.00 0.00 -0.00 0.00 0.00 62.75 62.11 1u81 n ILE 49 Cb 0.56 -2.20 0.00 0.00 -0.00 0.00 0.00 39.64 38.01 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 6.20 2.26 3.70 7.39 0.00 -1.26 -4.71 105.19 118.76 1u81 n GLY 50 Ca 0.45 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 2.63 0.19 1.61 5.36 -1.21 -5.00 117.98 121.57 1u81 s PHE 51 Ca 0.00 0.44 -0.12 0.00 -0.96 0.00 0.00 56.93 56.29 1u81 s PHE 51 Cb 0.00 -3.93 -0.07 0.00 -0.34 0.00 0.00 43.02 38.68 1u81 s PHE 51 CO 0.00 -3.64 0.56 -0.80 -1.46 0.00 0.00 175.22 169.88 1u81 s ASN 52 N 2.02 6.74 0.00 6.13 -0.87 -1.26 -3.61 114.94 124.09 1u81 s ASN 52 Ca 0.72 1.03 0.00 0.00 -1.57 0.00 0.00 52.86 53.05 1u81 s ASN 52 Cb -0.40 -2.27 -0.00 0.00 -0.02 0.00 0.00 41.25 38.55 1u81 s ASN 52 CO 0.32 0.01 -0.02 -0.69 -2.57 0.00 0.00 177.10 174.15 1u81 s VAL 53 N -1.64 0.11 -0.81 1.60 1.01 0.19 -4.72 120.40 116.14 1u81 s VAL 53 Ca 0.43 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 1u81 s VAL 53 Cb -0.13 -0.12 0.19 0.00 0.00 0.00 0.00 36.38 36.31 1u81 s VAL 53 CO 0.20 -0.05 0.81 -1.61 0.00 0.00 0.00 175.10 174.45 1u81 s GLU 54 N -0.25 3.52 -0.27 2.72 2.02 -1.16 -1.76 118.70 123.53 1u81 s GLU 54 Ca -0.02 -2.19 -0.23 0.00 0.02 0.00 0.00 54.97 52.55 1u81 s GLU 54 Cb -0.02 -4.50 -0.25 0.00 0.10 0.00 0.00 34.13 29.46 1u81 s GLU 54 CO -0.00 -1.40 1.63 2.41 0.02 0.00 0.00 175.26 177.92 1u81 n THR 55 N 4.47 0.64 -1.34 3.63 -1.04 0.14 -2.30 114.28 118.48 1u81 n THR 55 Ca 0.12 -0.52 -0.38 0.00 -2.04 0.00 0.00 64.05 61.23 1u81 n THR 55 Cb 0.46 -2.03 -0.02 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 6.28 3.81 -4.06 12.58 0.31 -1.07 -3.88 118.33 132.29 1u81 n VAL 56 Ca 0.41 -2.52 -0.32 0.00 -0.01 0.00 0.00 64.34 61.90 1u81 n VAL 56 Cb 0.34 -2.55 -0.15 0.00 -0.91 0.00 0.00 33.84 30.57 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 2.67 2.22 0.01 5.55 2.02 -1.26 -0.07 118.70 129.82 1u81 s GLU 57 Ca 0.61 -1.37 0.03 0.00 0.02 0.00 0.00 54.97 54.26 1u81 s GLU 57 Cb 0.16 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 1u81 s GLU 57 CO -0.06 -0.58 -0.10 -0.47 0.02 0.00 0.00 175.26 174.07 1u81 s TYR 58 N 1.10 0.91 0.00 1.61 5.04 0.00 -4.93 117.35 121.08 1u81 s TYR 58 Ca -0.08 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1u81 s TYR 58 Cb -0.20 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 41.54 1u81 s TYR 58 CO -0.05 -0.01 0.00 1.63 -1.34 0.00 0.00 175.55 175.78 1u81 n LYS 59 N 2.54 0.00 0.00 4.97 5.02 -1.26 -1.10 118.16 128.32 1u81 n LYS 59 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1u81 n LYS 59 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 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 4.38 1.53 -4.70 4.39 6.94 -1.26 -4.96 115.26 121.59 1u81 n ASN 60 Ca 0.00 -0.24 -0.39 0.00 -0.02 0.00 0.00 54.58 53.92 1u81 n ASN 60 Cb 0.00 0.79 -0.06 0.00 -2.36 0.00 0.00 39.78 38.16 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 -1.10 5.08 -0.63 1.53 1.01 -0.26 0.49 121.20 127.32 1u81 s ILE 61 Ca 0.00 1.18 0.04 0.00 0.00 0.00 0.00 60.65 61.87 1u81 s ILE 61 Cb 0.00 -3.93 0.15 0.00 0.01 0.00 0.00 42.46 38.70 1u81 s ILE 61 CO 0.00 0.22 0.41 -0.44 0.00 0.00 0.00 174.94 175.13 1u81 s SER 62 N 0.90 4.70 -1.18 3.58 0.01 0.37 -0.82 113.70 121.26 1u81 s SER 62 Ca 0.30 -3.44 -0.13 0.00 1.31 0.00 0.00 55.95 53.99 1u81 s SER 62 Cb -0.16 -1.67 0.19 0.00 0.21 0.00 0.00 66.02 64.59 1u81 s SER 62 CO 0.13 -0.17 1.36 -0.36 0.41 0.00 0.00 173.24 174.61 1u81 s PHE 63 N -0.89 3.61 -0.90 2.43 0.08 0.89 -1.37 117.98 121.83 1u81 s PHE 63 Ca 0.21 -2.19 -0.24 0.00 0.12 0.00 0.00 56.93 54.83 1u81 s PHE 63 Cb -0.15 -4.23 0.00 0.00 -0.57 0.00 0.00 43.02 38.07 1u81 s PHE 63 CO -0.09 -1.33 1.67 0.99 -0.10 0.00 0.00 175.22 176.37 1u81 s THR 64 N 1.17 3.65 0.73 0.64 2.01 -1.26 -2.61 115.64 119.97 1u81 s THR 64 Ca 0.40 -0.39 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 1u81 s THR 64 Cb -0.04 -4.51 0.03 0.00 0.01 0.00 0.00 72.50 67.99 1u81 s THR 64 CO -0.02 -1.43 1.07 -0.69 -0.69 0.00 0.00 174.62 172.87 1u81 s VAL 65 N 7.52 3.72 0.00 3.82 1.01 -0.97 -4.46 120.40 131.03 1u81 s VAL 65 Ca 0.57 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1u81 s VAL 65 Cb -0.05 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1u81 s VAL 65 CO -0.01 -0.73 0.00 -2.67 0.00 0.00 0.00 175.10 171.69 1u81 n TRP 66 N -3.20 0.00 -4.49 5.22 2.14 -1.26 -2.99 117.44 112.85 1u81 n TRP 66 Ca 0.07 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.37 1u81 n TRP 66 Cb 0.55 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.00 1u81 n TRP 66 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1u81 n ASP 67 N 0.00 3.09 -4.91 -0.67 8.00 -1.26 -4.42 116.55 116.38 1u81 n ASP 67 Ca 0.00 -2.90 -0.27 0.00 0.71 0.00 0.00 54.79 52.33 1u81 n ASP 67 Cb 0.00 0.24 0.01 0.00 -0.02 0.00 0.00 41.12 41.35 1u81 n ASP 67 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1u81 s VAL 68 N -2.57 4.59 0.00 2.53 -7.23 -1.26 -4.97 120.40 111.48 1u81 s VAL 68 Ca 0.06 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 1u81 s VAL 68 Cb -0.00 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.18 1u81 s VAL 68 CO 0.04 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 174.68 1u81 n GLY 69 N -2.35 -1.69 5.21 2.32 0.00 -1.26 -5.04 105.19 102.39 1u81 n GLY 69 Ca 0.02 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.71 0.00 -0.02 0.00 -1.26 -2.31 105.19 102.31 1u81 n GLY 70 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -5.09 117.38 119.91 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 -0.79 -3.84 1.69 5.75 -0.98 -3.56 116.55 114.82 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 3.87 -3.33 0.11 4.81 -1.26 -4.76 118.16 117.60 1u81 n LYS 73 Ca 0.00 -3.69 -0.30 0.00 -0.87 0.00 0.00 58.31 53.45 1u81 n LYS 73 Cb 0.00 -2.83 0.03 0.00 0.02 0.00 0.00 35.03 32.25 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 2.81 -5.60 -3.67 3.15 3.06 -1.23 -5.01 119.36 112.86 1u81 n ILE 74 Ca 0.40 0.32 -0.20 0.00 -2.50 0.00 0.00 62.75 60.76 1u81 n ILE 74 Cb 0.35 -4.43 -0.18 0.00 0.54 0.00 0.00 39.64 35.91 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 -2.40 -0.04 0.00 9.51 6.06 -1.25 -5.03 118.95 125.81 1u81 s ARG 75 Ca 0.33 0.35 0.00 0.00 -2.50 0.00 0.00 55.73 53.91 1u81 s ARG 75 Cb -0.04 -0.57 0.00 0.00 0.06 0.00 0.00 34.95 34.40 1u81 s ARG 75 CO 0.81 -0.34 0.17 -2.30 -2.50 0.00 0.00 175.30 171.14 1u81 n PRO 76 N 5.29 0.33 0.05 5.12 -0.02 -1.26 -3.79 135.00 140.72 1u81 n PRO 76 Ca -0.03 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.29 1u81 n PRO 76 Cb 0.50 -1.16 -0.06 0.00 -0.02 0.00 0.00 33.50 32.76 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 0.66 0.70 -0.77 2.45 -0.00 -1.96 -3.26 115.31 113.13 1u81 h LEU 77 Ca 0.00 -0.54 0.17 0.00 -0.00 0.00 0.00 57.88 57.51 1u81 h LEU 77 Cb 0.16 -0.21 -0.11 0.00 -0.00 0.00 0.00 40.66 40.50 1u81 h LEU 77 CO 0.00 1.33 0.22 -0.50 -0.00 0.00 0.00 178.44 179.49 1u81 h TRP 78 N 0.33 0.36 -0.43 0.17 4.06 -1.96 0.22 115.95 118.69 1u81 h TRP 78 Ca -0.09 0.04 0.05 0.00 2.06 0.00 0.00 58.89 60.95 1u81 h TRP 78 Cb 1.56 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 29.64 1u81 h TRP 78 CO 0.08 -0.07 0.18 0.00 -3.56 0.00 0.00 178.44 175.06 1u81 h ARG 79 N 0.30 0.36 -0.05 0.49 -0.00 -1.87 -0.24 114.38 113.37 1u81 h ARG 79 Ca 0.44 -0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.92 1u81 h ARG 79 Cb 0.77 -0.08 -0.00 0.00 0.00 0.00 0.00 29.97 30.66 1u81 h ARG 79 CO -0.51 0.24 0.04 0.45 0.00 0.00 0.00 179.97 180.19 1u81 h HIS 80 N 0.37 0.00 -0.05 3.04 3.86 -0.68 0.86 115.15 122.55 1u81 h HIS 80 Ca 0.20 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 1u81 h HIS 80 Cb 0.15 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.63 1u81 h HIS 80 CO -0.13 0.00 -0.38 1.88 0.86 0.00 0.00 177.93 180.16 1u81 h TYR 81 N 0.00 0.47 -0.03 2.45 0.05 -0.10 -3.25 116.97 116.56 1u81 h TYR 81 Ca 0.02 -0.22 -0.02 0.00 0.05 0.00 0.00 58.73 58.55 1u81 h TYR 81 Cb 0.11 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 1u81 h TYR 81 CO 0.00 0.99 -0.09 0.74 -1.05 0.00 0.00 178.16 178.75 1u81 h PHE 82 N -0.19 0.04 0.00 4.88 0.04 0.28 -2.82 116.94 119.18 1u81 h PHE 82 Ca -0.03 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1u81 h PHE 82 Cb 1.06 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 1u81 h PHE 82 CO 0.14 0.14 -0.03 1.96 -0.60 0.00 0.00 178.31 179.92 1u81 h GLN 83 N 0.04 0.00 -0.14 1.51 4.20 -0.94 -3.06 115.11 116.72 1u81 h GLN 83 Ca 0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 1u81 h GLN 83 Cb 0.19 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 27.75 1u81 h GLN 83 CO 0.01 0.03 -0.78 0.27 -0.67 0.00 0.00 178.83 177.69 1u81 n ASN 84 N -3.33 1.86 -4.86 1.46 6.94 -1.07 -5.07 115.26 111.20 1u81 n ASN 84 Ca -0.02 -3.06 -0.24 0.00 -0.02 0.00 0.00 54.58 51.24 1u81 n ASN 84 Cb 0.15 -0.42 -0.04 0.00 -2.36 0.00 0.00 39.78 37.11 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 -2.37 4.74 0.00 5.53 2.01 -1.16 -3.14 115.64 121.25 1u81 s THR 85 Ca 0.37 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1u81 s THR 85 Cb 0.38 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1u81 s THR 85 CO -0.09 -0.22 0.00 0.00 -0.69 0.00 0.00 174.62 173.63 1u81 n GLN 86 N -0.81 0.00 -2.42 4.92 1.13 0.18 -4.88 117.38 115.49 1u81 n GLN 86 Ca -0.08 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.74 1u81 n GLN 86 Cb 0.56 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.99 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 -3.06 1.76 -0.48 1.08 0.00 -1.23 -2.99 107.32 102.41 1u81 s GLY 87 Ca 0.00 -1.30 0.06 0.00 0.00 0.00 0.00 44.72 43.48 1u81 s GLY 87 CO 0.00 -0.86 0.61 -0.10 0.00 0.00 0.00 173.10 172.75 1u81 n LEU 88 N -2.79 -2.32 -4.59 0.66 7.94 0.28 -2.62 117.00 113.55 1u81 n LEU 88 Ca 0.11 -3.49 -0.42 0.00 -1.11 0.00 0.00 56.01 51.09 1u81 n LEU 88 Cb 0.60 0.69 -0.03 0.00 0.53 0.00 0.00 43.42 45.22 1u81 n LEU 88 CO 0.47 1.92 1.45 -0.63 -1.11 0.00 0.00 177.39 179.49 1u81 s ILE 89 N 0.51 3.59 -0.42 1.96 1.01 -1.13 -0.41 121.20 126.31 1u81 s ILE 89 Ca 0.31 0.57 -0.18 0.00 0.00 0.00 0.00 60.65 61.36 1u81 s ILE 89 Cb 0.04 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.67 1u81 s ILE 89 CO -0.12 -0.60 0.45 0.12 0.00 0.00 0.00 174.94 174.80 1u81 s PHE 90 N 6.74 3.16 -0.49 3.97 5.36 0.85 0.82 117.98 138.40 1u81 s PHE 90 Ca 0.72 -0.34 -0.16 0.00 -0.96 0.00 0.00 56.93 56.20 1u81 s PHE 90 Cb -0.18 -2.93 0.08 0.00 -0.34 0.00 0.00 43.02 39.65 1u81 s PHE 90 CO 0.31 -0.71 0.43 0.08 -1.46 0.00 0.00 175.22 173.88 1u81 s VAL 91 N 2.19 5.20 -0.59 3.12 1.01 -0.06 -0.12 120.40 131.16 1u81 s VAL 91 Ca 0.13 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 1u81 s VAL 91 Cb -0.17 -4.18 0.14 0.00 0.00 0.00 0.00 36.38 32.18 1u81 s VAL 91 CO 0.14 -0.65 0.56 -0.69 0.00 0.00 0.00 175.10 174.45 1u81 s VAL 92 N 1.72 5.25 -0.94 2.92 1.01 -1.10 -4.17 120.40 125.09 1u81 s VAL 92 Ca 0.05 -1.63 -0.15 0.00 0.00 0.00 0.00 61.98 60.25 1u81 s VAL 92 Cb -0.25 -4.37 -0.28 0.00 0.00 0.00 0.00 36.38 31.48 1u81 s VAL 92 CO 0.06 -0.91 2.27 -0.67 0.00 0.00 0.00 175.10 175.85 1u81 n ASP 93 N 5.11 -0.52 0.13 3.32 -0.08 -1.26 -4.28 116.55 118.96 1u81 n ASP 93 Ca -0.09 -0.66 0.19 0.00 -1.51 0.00 0.00 54.79 52.72 1u81 n ASP 93 Cb 0.41 -0.83 0.77 0.00 2.34 0.00 0.00 41.12 43.82 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 11.72 0.00 0.00 1.67 0.02 -1.58 -2.83 113.55 122.55 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 1.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1u81 h SER 94 CO 1.47 0.00 -0.31 -1.13 -1.14 0.00 0.00 176.83 175.72 1u81 h ASN 95 N 0.00 0.00 -0.15 3.07 -1.24 -1.75 -3.39 115.58 112.12 1u81 h ASN 95 Ca 0.16 -0.81 -0.16 0.00 0.71 0.00 0.00 56.30 56.20 1u81 h ASN 95 Cb 0.87 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.87 1u81 h ASN 95 CO -0.00 1.08 0.97 -0.67 -1.29 0.00 0.00 177.43 177.53 1u81 n ASP 96 N -4.58 0.05 -0.72 1.15 -0.08 -1.07 -4.32 116.55 106.99 1u81 n ASP 96 Ca -0.15 -1.14 0.09 0.00 -1.51 0.00 0.00 54.79 52.08 1u81 n ASP 96 Cb 0.50 -1.09 0.09 0.00 2.34 0.00 0.00 41.12 42.96 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 7.00 1.56 0.04 -0.67 1.85 -1.26 -4.52 116.66 120.66 1u81 n ARG 97 Ca 0.53 -1.63 -0.20 0.00 -1.00 0.00 0.00 57.85 55.55 1u81 n ARG 97 Cb 0.31 -1.34 -0.14 0.00 -1.05 0.00 0.00 32.46 30.24 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 3.32 0.28 -0.58 2.89 3.07 -1.99 -3.36 114.58 118.21 1u81 h GLU 98 Ca 0.00 -0.48 -0.19 0.00 -0.50 0.00 0.00 59.36 58.20 1u81 h GLU 98 Cb 0.73 0.18 -0.11 0.00 -0.84 0.00 0.00 28.75 28.71 1u81 h GLU 98 CO 0.00 1.16 0.17 0.54 -1.40 0.00 0.00 179.01 179.48 1u81 n ARG 99 N -3.47 3.06 0.03 2.33 1.74 -1.26 -4.57 116.66 114.51 1u81 n ARG 99 Ca -0.25 -3.05 0.17 0.00 -0.77 0.00 0.00 57.85 53.94 1u81 n ARG 99 Cb 1.06 -2.05 0.32 0.00 -1.02 0.00 0.00 32.46 30.77 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 2.01 0.03 -0.28 1.55 3.04 -1.81 0.63 116.25 121.42 1u81 h VAL 100 Ca 0.23 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.82 1u81 h VAL 100 Cb 2.05 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 1u81 h VAL 100 CO 0.59 0.00 -0.20 -0.55 -1.01 0.00 0.00 177.57 176.39 1u81 h ASN 101 N 0.00 0.67 -1.00 3.17 -1.07 -1.93 -1.72 115.58 113.70 1u81 h ASN 101 Ca 0.27 -0.44 0.22 0.00 0.07 0.00 0.00 56.30 56.42 1u81 h ASN 101 Cb 2.35 -0.19 -0.10 0.00 -2.07 0.00 0.00 38.32 38.31 1u81 h ASN 101 CO -0.00 0.97 0.62 -0.08 0.07 0.00 0.00 177.43 179.01 1u81 h GLU 102 N 0.37 0.55 0.28 4.14 4.81 -0.10 -1.43 114.58 123.20 1u81 h GLU 102 Ca 0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1u81 h GLU 102 Cb 0.75 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1u81 h GLU 102 CO 0.05 0.36 -0.13 0.00 -0.73 0.00 0.00 179.01 178.57 1u81 h ALA 103 N 1.65 -0.37 -1.38 2.92 0.00 -1.56 -3.21 119.26 117.30 1u81 h ALA 103 Ca 0.58 -0.13 0.41 0.00 0.00 0.00 0.00 54.91 55.78 1u81 h ALA 103 Cb 1.18 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1u81 h ALA 103 CO -0.34 -0.37 0.98 -2.13 0.00 0.00 0.00 179.25 177.39 1u81 n ARG 104 N -5.02 -0.01 0.10 0.00 0.63 -0.66 0.28 116.66 111.98 1u81 n ARG 104 Ca -0.06 0.83 -0.04 0.00 -0.92 0.00 0.00 57.85 57.66 1u81 n ARG 104 Cb 0.19 -1.86 -0.02 0.00 0.45 0.00 0.00 32.46 31.22 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 -0.27 0.64 -0.14 4.39 -1.29 -3.28 114.58 114.64 1u81 h GLU 105 Ca 0.69 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.38 1u81 h GLU 105 Cb 2.67 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 31.39 1u81 h GLU 105 CO -0.08 -0.18 -0.31 0.93 -1.16 0.00 0.00 179.01 178.21 1u81 h GLU 106 N -0.49 -0.83 -0.30 2.33 4.39 -0.98 -3.25 114.58 115.45 1u81 h GLU 106 Ca -0.03 0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.83 1u81 h GLU 106 Cb 0.22 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.00 1u81 h GLU 106 CO 0.05 -0.55 0.09 -0.11 -1.16 0.00 0.00 179.01 177.32 1u81 n LEU 107 N -5.16 0.04 -0.28 1.33 7.94 0.14 -0.35 117.00 120.66 1u81 n LEU 107 Ca -0.11 0.51 0.01 0.00 -1.11 0.00 0.00 56.01 55.31 1u81 n LEU 107 Cb 0.34 -0.22 0.06 0.00 0.53 0.00 0.00 43.42 44.13 1u81 n LEU 107 CO 0.26 -0.54 0.46 0.23 -1.11 0.00 0.00 177.39 176.68 1u81 n MET 108 N -3.94 -0.13 -0.23 1.96 2.81 -1.23 0.05 117.12 116.41 1u81 n MET 108 Ca 0.09 1.15 -0.08 0.00 -1.81 0.00 0.00 57.70 57.05 1u81 n MET 108 Cb 0.31 -1.71 0.04 0.00 -0.71 0.00 0.00 33.22 31.15 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 1.05 0.00 0.03 -0.00 -0.94 -2.18 114.38 112.34 1u81 h ARG 109 Ca 0.30 -0.26 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 1u81 h ARG 109 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.32 1u81 h ARG 109 CO -0.75 0.95 0.00 -1.33 0.00 0.00 0.00 179.97 178.84 1u81 n MET 110 N -4.29 0.00 0.00 0.04 2.81 0.11 -2.08 117.12 113.70 1u81 n MET 110 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1u81 n MET 110 Cb 0.26 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 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 -0.75 0.69 0.07 4.03 4.77 -0.82 -4.81 117.00 120.18 1u81 n LEU 111 Ca 0.00 0.11 -0.23 0.00 -0.03 0.00 0.00 56.01 55.86 1u81 n LEU 111 Cb 0.00 -0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 40.70 1u81 n LEU 111 CO 0.00 -0.24 -0.39 0.00 -1.33 0.00 0.00 177.39 175.43 1u81 h ALA 112 N -2.00 0.07 -0.18 -1.18 0.00 -1.71 -3.49 119.26 110.78 1u81 h ALA 112 Ca 0.00 -1.03 -0.16 0.00 0.00 0.00 0.00 54.91 53.72 1u81 h ALA 112 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1u81 h ALA 112 CO 0.00 0.84 0.11 0.39 0.00 0.00 0.00 179.25 180.59 1u81 n GLU 113 N -3.76 0.00 0.09 0.00 -0.58 -0.89 -4.88 120.64 110.63 1u81 n GLU 113 Ca -0.22 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.39 1u81 n GLU 113 Cb 1.01 -0.27 -0.08 0.00 -0.57 0.00 0.00 31.44 31.52 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 0.88 -0.22 -0.99 1.62 5.19 -1.93 -3.22 116.42 117.75 1u81 h ASP 114 Ca -0.08 -0.27 0.35 0.00 -0.62 0.00 0.00 57.03 56.41 1u81 h ASP 114 Cb 0.25 0.06 -0.17 0.00 0.18 0.00 0.00 39.33 39.64 1u81 h ASP 114 CO 0.17 0.19 0.38 -0.33 -3.12 0.00 0.00 179.24 176.53 1u81 h GLU 115 N -0.66 0.06 -1.71 3.56 4.39 -1.99 0.62 114.58 118.84 1u81 h GLU 115 Ca -0.03 -0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.96 1u81 h GLU 115 Cb 0.47 -0.01 -0.31 0.00 -0.10 0.00 0.00 28.75 28.80 1u81 h GLU 115 CO 0.04 0.04 0.63 1.28 -1.16 0.00 0.00 179.01 179.84 1u81 n LEU 116 N -5.29 6.93 0.02 1.33 4.77 -1.22 -4.79 117.00 118.75 1u81 n LEU 116 Ca 0.32 -4.83 -0.01 0.00 -0.03 0.00 0.00 56.01 51.46 1u81 n LEU 116 Cb 1.06 -0.91 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1u81 n LEU 116 CO 0.00 1.82 0.37 0.03 -1.33 0.00 0.00 177.39 178.29 1u81 h ARG 117 N 2.74 -0.06 0.00 3.23 2.47 -0.93 -3.41 114.38 118.41 1u81 h ARG 117 Ca 0.52 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.24 1u81 h ARG 117 Cb 0.37 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1u81 h ARG 117 CO 1.32 -0.04 0.00 -0.40 0.56 0.00 0.00 179.97 181.41 1u81 n ASP 118 N -2.21 0.00 -3.16 7.04 5.75 -1.26 -4.50 116.55 118.21 1u81 n ASP 118 Ca -0.01 0.50 -0.02 0.00 -0.01 0.00 0.00 54.79 55.25 1u81 n ASP 118 Cb 0.02 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1u81 n ASP 118 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u81 n ALA 119 N -1.73 -2.16 -1.17 2.12 0.00 -1.26 -2.91 120.51 113.40 1u81 n ALA 119 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1u81 n ALA 119 Cb 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 1.16 0.00 -2.32 0.00 0.31 -1.16 -4.59 118.33 111.73 1u81 n VAL 120 Ca -0.00 -0.28 -0.43 0.00 -0.01 0.00 0.00 64.34 63.62 1u81 n VAL 120 Cb 0.46 -0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 32.49 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 6.38 3.86 -0.83 7.52 2.96 -0.49 0.98 118.68 139.06 1u81 s LEU 121 Ca 0.35 1.30 -0.15 0.00 -0.22 0.00 0.00 54.13 55.41 1u81 s LEU 121 Cb -0.01 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.35 1u81 s LEU 121 CO 0.10 -1.17 0.80 -0.22 -1.32 0.00 0.00 176.35 174.54 1u81 s LEU 122 N 4.73 6.56 -1.04 -0.68 2.96 0.46 -2.00 118.68 129.67 1u81 s LEU 122 Ca 0.61 -2.59 -0.23 0.00 -0.22 0.00 0.00 54.13 51.70 1u81 s LEU 122 Cb -0.19 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.29 1u81 s LEU 122 CO 0.26 -0.64 1.66 -0.69 -1.32 0.00 0.00 176.35 175.62 1u81 s VAL 123 N 0.48 3.80 -0.86 1.68 1.01 0.90 -0.10 120.40 127.31 1u81 s VAL 123 Ca 0.19 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 1u81 s VAL 123 Cb -0.10 -4.77 0.03 0.00 0.00 0.00 0.00 36.38 31.54 1u81 s VAL 123 CO -0.09 -1.62 1.40 -0.36 0.00 0.00 0.00 175.10 174.43 1u81 s PHE 124 N 6.65 2.35 -1.20 5.22 0.08 0.83 -4.12 117.98 127.78 1u81 s PHE 124 Ca 0.55 -0.34 -0.09 0.00 0.12 0.00 0.00 56.93 57.17 1u81 s PHE 124 Cb -0.01 -4.62 0.21 0.00 -0.57 0.00 0.00 43.02 38.04 1u81 s PHE 124 CO -0.03 -2.02 1.61 0.00 -0.10 0.00 0.00 175.22 174.68 1u81 n ALA 125 N 9.47 4.90 -2.41 5.36 0.00 -1.26 -2.69 120.51 133.87 1u81 n ALA 125 Ca 0.18 -4.46 -0.27 0.00 0.00 0.00 0.00 53.44 48.89 1u81 n ALA 125 Cb 0.50 -2.79 -0.01 0.00 0.00 0.00 0.00 19.45 17.15 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 0.66 6.32 0.00 0.00 2.47 -1.25 -4.06 114.94 119.08 1u81 s ASN 126 Ca 0.37 0.77 0.00 0.00 0.42 0.00 0.00 52.86 54.43 1u81 s ASN 126 Cb 0.04 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 1u81 s ASN 126 CO 0.02 -0.42 0.00 0.29 -3.72 0.00 0.00 177.10 173.27 1u81 n LYS 127 N -1.83 0.00 0.06 0.43 5.02 -1.26 -1.93 118.16 118.65 1u81 n LYS 127 Ca -0.01 0.32 0.01 0.00 -2.02 0.00 0.00 58.31 56.60 1u81 n LYS 127 Cb 0.55 -2.92 -0.05 0.00 -0.02 0.00 0.00 35.03 32.59 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 0.00 0.00 1.97 -0.00 -1.87 -2.93 115.11 112.28 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.59 1u81 h GLN 128 CO 0.00 0.33 0.00 -0.40 0.00 0.00 0.00 178.83 178.76 1u81 n ASP 129 N -2.96 0.00 -4.66 -0.69 5.75 -1.26 -4.64 116.55 108.09 1u81 n ASP 129 Ca -0.06 0.23 -0.41 0.00 -0.01 0.00 0.00 54.79 54.54 1u81 n ASP 129 Cb 0.80 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.53 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 -2.63 4.15 0.55 -2.12 1.43 -1.25 -4.95 118.68 113.85 1u81 s LEU 130 Ca 0.06 1.03 0.28 0.00 -1.03 0.00 0.00 54.13 54.47 1u81 s LEU 130 Cb 0.05 -3.11 1.45 0.00 0.03 0.00 0.00 46.19 44.61 1u81 s LEU 130 CO 0.11 -0.38 1.96 -0.65 0.23 0.00 0.00 176.35 177.61 1u81 h PRO 131 N 7.45 0.00 0.88 1.29 0.11 -1.94 -2.84 132.00 136.96 1u81 h PRO 131 Ca -0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1u81 h PRO 131 Cb 1.13 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.25 1u81 h PRO 131 CO 0.82 0.00 -0.43 -0.97 -0.21 0.00 0.00 178.00 177.22 1u81 h ASN 132 N 0.00 -1.01 -1.25 -2.05 -1.24 -1.94 -3.45 115.58 104.64 1u81 h ASN 132 Ca 0.27 0.03 -0.49 0.00 0.71 0.00 0.00 56.30 56.83 1u81 h ASN 132 Cb 1.18 0.26 0.26 0.00 0.73 0.00 0.00 38.32 40.74 1u81 h ASN 132 CO -0.00 -0.68 -2.45 0.00 -1.29 0.00 0.00 177.43 173.00 1u81 n ALA 133 N -2.65 -5.56 -1.46 1.57 0.00 -1.07 -4.80 120.51 106.54 1u81 n ALA 133 Ca -0.15 -1.35 -0.39 0.00 0.00 0.00 0.00 53.44 51.55 1u81 n ALA 133 Cb 0.47 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 19.03 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 1.79 0.54 -0.94 0.00 2.81 -1.26 -4.85 117.12 115.21 1u81 n MET 134 Ca -0.02 0.21 -0.34 0.00 -1.81 0.00 0.00 57.70 55.74 1u81 n MET 134 Cb 0.73 -1.66 0.10 0.00 -0.71 0.00 0.00 33.22 31.67 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 0.69 -2.36 -0.31 7.83 0.23 -1.26 -4.61 115.26 115.46 1u81 n ASN 135 Ca 0.11 0.38 0.11 0.00 -0.53 0.00 0.00 54.58 54.65 1u81 n ASN 135 Cb 0.46 -1.15 0.22 0.00 -2.08 0.00 0.00 39.78 37.22 1u81 n ASN 135 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u81 n ALA 136 N -3.15 0.37 -0.07 -2.53 0.00 -1.26 -2.36 120.51 111.51 1u81 n ALA 136 Ca 0.06 0.97 -0.13 0.00 0.00 0.00 0.00 53.44 54.34 1u81 n ALA 136 Cb 0.53 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 1u81 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u81 h ALA 137 N 1.79 0.06 0.00 0.00 0.00 -2.01 -3.34 119.26 115.76 1u81 h ALA 137 Ca 0.50 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u81 h ALA 137 Cb 0.96 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1u81 h ALA 137 CO -0.87 0.17 0.04 -0.85 0.00 0.00 0.00 179.25 177.74 1u81 n GLU 138 N -4.60 0.00 -0.15 0.00 0.28 -0.99 -1.12 120.64 114.06 1u81 n GLU 138 Ca -0.13 0.20 -0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1u81 n GLU 138 Cb 0.44 -1.54 0.26 0.00 1.43 0.00 0.00 31.44 32.03 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 1.19 -0.06 3.84 1.08 -1.65 -0.58 117.51 121.32 1u81 h ILE 139 Ca 0.00 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1u81 h ILE 139 Cb 0.08 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1u81 h ILE 139 CO 0.00 0.21 0.00 0.41 -0.69 0.00 0.00 178.15 178.08 1u81 n THR 140 N -4.38 0.08 0.00 -0.27 -1.04 -0.27 -4.13 114.28 104.28 1u81 n THR 140 Ca 0.06 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1u81 n THR 140 Cb 0.10 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 -0.39 0.00 0.00 8.00 2.03 -0.23 -3.98 116.55 121.99 1u81 n ASP 141 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1u81 n ASP 141 Cb 0.11 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.64 0.00 -0.06 -0.67 4.76 -1.23 -0.36 118.16 119.97 1u81 n LYS 142 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1u81 n LYS 142 Cb 0.00 -1.73 -0.13 0.00 -1.84 0.00 0.00 35.03 31.34 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 -0.73 2.24 0.00 -0.35 4.77 -1.26 -5.00 117.00 116.68 1u81 n LEU 143 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1u81 n LEU 143 Cb 0.23 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1u81 n LEU 143 CO 0.00 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1u81 n GLY 144 N 1.69 0.74 0.25 -0.72 0.00 0.51 -4.90 105.19 102.77 1u81 n GLY 144 Ca -0.34 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.76 0.04 0.99 4.77 -1.26 -1.77 117.00 120.52 1u81 n LEU 145 Ca 0.00 -0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 55.51 1u81 n LEU 145 Cb 0.00 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 40.91 1u81 n LEU 145 CO 0.00 0.15 -0.48 -0.74 -1.33 0.00 0.00 177.39 174.99 1u81 h HIS 146 N 1.05 0.42 0.00 -1.77 2.76 -1.90 -3.40 115.15 112.31 1u81 h HIS 146 Ca 0.00 -0.31 -0.13 0.00 -2.20 0.00 0.00 60.37 57.73 1u81 h HIS 146 Cb 0.23 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1u81 h HIS 146 CO 0.04 1.44 -1.59 -1.13 -1.30 0.00 0.00 177.93 175.39 1u81 n SER 147 N -3.42 2.73 -4.67 3.26 3.41 -1.22 -4.98 113.62 108.73 1u81 n SER 147 Ca -0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.98 1u81 n SER 147 Cb 1.05 0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 65.87 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 -4.45 4.35 0.00 1.04 1.43 -0.73 -4.99 118.68 115.33 1u81 s LEU 148 Ca -0.04 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1u81 s LEU 148 Cb 0.04 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.71 1u81 s LEU 148 CO 0.39 -0.93 0.01 0.54 0.23 0.00 0.00 176.35 176.59 1u81 n ARG 149 N 6.81 1.37 0.00 1.70 5.12 -1.26 -4.85 116.66 125.55 1u81 n ARG 149 Ca 0.17 -0.95 0.00 0.00 -1.93 0.00 0.00 57.85 55.14 1u81 n ARG 149 Cb 0.42 0.35 0.00 0.00 -1.16 0.00 0.00 32.46 32.07 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 -0.30 0.00 -1.76 -1.55 8.25 -1.26 -4.93 115.22 113.67 1u81 n HIS 150 Ca -0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.02 1u81 n HIS 150 Cb 0.17 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 0.00 2.16 -2.29 -0.41 0.63 -1.26 -4.91 116.66 110.58 1u81 n ARG 151 Ca 0.00 0.77 -0.43 0.00 -0.92 0.00 0.00 57.85 57.27 1u81 n ARG 151 Cb 0.00 -2.62 -0.02 0.00 0.45 0.00 0.00 32.46 30.26 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 -0.54 6.52 0.34 6.15 3.84 -1.15 -4.96 114.94 125.13 1u81 s ASN 152 Ca 0.63 1.33 -0.10 0.00 0.21 0.00 0.00 52.86 54.93 1u81 s ASN 152 Cb -0.44 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 37.74 1u81 s ASN 152 CO 0.56 -1.19 0.59 -1.66 -2.79 0.00 0.00 177.10 172.61 1u81 s TRP 153 N 4.83 0.57 -0.29 0.43 1.48 -1.26 -1.40 118.94 123.31 1u81 s TRP 153 Ca 0.63 -0.98 -0.25 0.00 -1.06 0.00 0.00 56.10 54.44 1u81 s TRP 153 Cb -0.20 0.30 0.16 0.00 -1.16 0.00 0.00 33.47 32.58 1u81 s TRP 153 CO 0.26 -1.25 1.28 -0.47 -4.06 0.00 0.00 176.95 172.71 1u81 s TYR 154 N -3.04 -0.21 -0.22 1.66 5.04 -0.85 -4.91 117.35 114.82 1u81 s TYR 154 Ca 0.23 0.51 -0.05 0.00 -2.44 0.00 0.00 57.07 55.32 1u81 s TYR 154 Cb -0.02 0.44 0.11 0.00 0.35 0.00 0.00 41.96 42.84 1u81 s TYR 154 CO 0.15 -0.11 0.40 -1.50 -1.34 0.00 0.00 175.55 173.14 1u81 s ILE 155 N 0.00 -0.62 0.26 3.14 2.07 -1.26 -0.07 121.20 124.72 1u81 s ILE 155 Ca 0.06 0.07 0.07 0.00 -1.41 0.00 0.00 60.65 59.44 1u81 s ILE 155 Cb -0.05 -0.72 -0.05 0.00 0.13 0.00 0.00 42.46 41.77 1u81 s ILE 155 CO -0.11 -0.01 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.24 1u81 s GLN 156 N 2.58 1.49 -0.14 3.50 2.00 -1.26 -5.05 119.66 122.77 1u81 s GLN 156 Ca 0.05 -1.72 -0.30 0.00 -2.00 0.00 0.00 55.36 51.39 1u81 s GLN 156 Cb -0.14 -1.16 -0.07 0.00 0.80 0.00 0.00 33.01 32.45 1u81 s GLN 156 CO -0.14 0.09 2.12 0.00 -0.50 0.00 0.00 175.29 176.86 1u81 n ALA 157 N -0.52 1.60 -3.04 1.58 0.00 -1.26 -4.21 120.51 114.66 1u81 n ALA 157 Ca -0.06 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 1u81 n ALA 157 Cb 0.62 -2.79 -0.13 0.00 0.00 0.00 0.00 19.45 17.15 1u81 n ALA 157 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1u81 s THR 158 N 6.80 3.63 -0.32 0.00 -4.23 -1.26 -2.55 115.64 117.71 1u81 s THR 158 Ca 0.98 -0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 61.03 1u81 s THR 158 Cb -0.44 -2.59 0.10 0.00 1.34 0.00 0.00 72.50 70.92 1u81 s THR 158 CO 0.40 0.49 0.12 0.00 -0.54 0.00 0.00 174.62 175.08 1u81 h ALA 160 N 7.96 0.57 -0.19 0.00 0.00 -1.87 0.11 119.26 125.83 1u81 h ALA 160 Ca -0.12 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1u81 h ALA 160 Cb 1.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1u81 h ALA 160 CO 0.46 0.51 -0.29 1.79 0.00 0.00 0.00 179.25 181.72 1u81 h THR 161 N 0.65 0.00 0.03 0.00 1.35 -1.95 -3.09 112.91 109.90 1u81 h THR 161 Ca 0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1u81 h THR 161 Cb 0.74 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1u81 h THR 161 CO 0.06 0.00 -0.02 0.77 -0.25 0.00 0.00 175.52 176.08 1u81 h SER 162 N -0.23 -0.04 0.00 5.36 4.64 -2.01 -3.48 113.55 117.80 1u81 h SER 162 Ca 0.03 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1u81 h SER 162 Cb 0.32 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1u81 h SER 162 CO -0.30 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1u81 n GLY 163 N 0.27 1.25 3.40 -0.77 0.00 0.30 -5.13 105.19 104.50 1u81 n GLY 163 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.25 0.00 1.61 2.03 -0.68 -2.40 116.55 114.86 1u81 n ASP 164 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1u81 n ASP 164 Cb 0.00 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 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 1.61 1.03 0.25 0.27 0.00 -1.06 0.16 105.19 107.46 1u81 n GLY 165 Ca 0.06 0.00 -0.09 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 0.79 0.02 0.99 3.38 -1.74 -2.89 115.31 115.87 1u81 h LEU 166 Ca 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1u81 h LEU 166 Cb 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1u81 h LEU 166 CO 0.00 0.81 -0.02 0.22 0.09 0.00 0.00 178.44 179.54 1u81 h TYR 167 N 0.74 -0.05 -0.90 1.13 5.03 -1.83 -0.62 116.97 120.47 1u81 h TYR 167 Ca 0.17 0.00 0.24 0.00 2.58 0.00 0.00 58.73 61.72 1u81 h TYR 167 Cb 0.32 0.02 -0.13 0.00 1.55 0.00 0.00 36.73 38.48 1u81 h TYR 167 CO 0.02 -0.02 0.34 0.93 -1.32 0.00 0.00 178.16 178.11 1u81 h GLU 168 N -0.04 0.29 0.53 1.82 3.07 -1.94 -1.50 114.58 116.82 1u81 h GLU 168 Ca -0.00 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1u81 h GLU 168 Cb 0.03 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1u81 h GLU 168 CO -0.00 0.19 -0.26 0.78 -1.40 0.00 0.00 179.01 178.33 1u81 h GLY 169 N 0.30 -0.75 0.88 -3.84 0.00 -1.31 -0.98 103.07 97.38 1u81 h GLY 169 Ca 0.58 0.28 0.01 0.00 0.00 0.00 0.00 47.33 48.20 1u81 h GLY 169 CO -0.59 -0.27 0.02 1.41 0.00 0.00 0.00 176.54 177.10 1u81 h LEU 170 N -0.72 0.00 0.01 3.11 3.38 -0.20 -1.78 115.31 119.11 1u81 h LEU 170 Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1u81 h LEU 170 Cb 0.55 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1u81 h LEU 170 CO 0.12 0.02 -0.01 -0.78 0.09 0.00 0.00 178.44 177.88 1u81 h ASP 171 N 0.06 -0.02 -0.34 -0.43 3.58 -1.32 -1.88 116.42 116.07 1u81 h ASP 171 Ca 0.05 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.57 1u81 h ASP 171 Cb 0.04 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.03 1u81 h ASP 171 CO -0.06 -0.01 -0.11 -0.25 -2.88 0.00 0.00 179.24 175.92 1u81 h TRP 172 N -0.02 -0.26 0.45 0.28 7.01 -1.04 -1.51 115.95 120.86 1u81 h TRP 172 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 1u81 h TRP 172 Cb 0.02 0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1u81 h TRP 172 CO -0.08 -0.18 -0.45 1.25 -2.79 0.00 0.00 178.44 176.18 1u81 h LEU 173 N -0.04 -1.23 -0.42 0.65 5.85 -1.11 0.22 115.31 119.23 1u81 h LEU 173 Ca 0.17 0.10 0.06 0.00 0.84 0.00 0.00 57.88 59.05 1u81 h LEU 173 Cb 0.30 0.41 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 1u81 h LEU 173 CO -0.38 -0.59 -0.49 -1.28 -0.34 0.00 0.00 178.44 175.36 1u81 h SER 174 N -0.90 -1.63 0.25 1.25 0.87 -1.06 -1.49 113.55 110.84 1u81 h SER 174 Ca -0.06 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1u81 h SER 174 Cb 0.78 0.69 -0.02 0.00 -0.44 0.00 0.00 62.40 63.41 1u81 h SER 174 CO -0.06 -0.38 -0.26 0.78 -0.53 0.00 0.00 176.83 176.38 1u81 h ASN 175 N -0.35 -0.69 -0.53 6.23 2.35 -1.18 -2.94 115.58 118.45 1u81 h ASN 175 Ca 0.11 0.06 0.11 0.00 -0.55 0.00 0.00 56.30 56.03 1u81 h ASN 175 Cb 0.59 0.24 -0.11 0.00 0.05 0.00 0.00 38.32 39.10 1u81 h ASN 175 CO -0.59 -0.37 -0.19 1.56 -1.65 0.00 0.00 177.43 176.18 1u81 h GLN 176 N -0.54 -0.06 0.39 0.81 1.08 -0.45 0.99 115.11 117.32 1u81 h GLN 176 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1u81 h GLN 176 Cb 0.50 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1u81 h GLN 176 CO -0.06 -0.04 -0.38 -0.07 -0.95 0.00 0.00 178.83 177.32 1u81 h LEU 177 N -0.06 -1.04 -1.25 1.46 3.38 -1.12 0.50 115.31 117.17 1u81 h LEU 177 Ca 0.25 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1u81 h LEU 177 Cb 0.45 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1u81 h LEU 177 CO -0.58 -0.51 0.19 -0.09 0.09 0.00 0.00 178.44 177.55 1u81 h ARG 178 N -0.77 0.71 0.06 1.13 2.43 -1.36 -3.20 114.38 113.37 1u81 h ARG 178 Ca -0.05 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 58.90 1u81 h ARG 178 Cb 0.66 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1u81 h ARG 178 CO -0.04 0.59 -0.49 -0.91 -1.51 0.00 0.00 179.97 177.61 1u81 h ASN 179 N 0.71 0.34 -0.92 -3.80 2.35 -0.61 -3.35 115.58 110.29 1u81 h ASN 179 Ca 0.17 -0.88 0.17 0.00 -0.55 0.00 0.00 56.30 55.20 1u81 h ASN 179 Cb 0.15 -0.11 -0.10 0.00 0.05 0.00 0.00 38.32 38.31 1u81 h ASN 179 CO -0.02 1.19 0.51 1.56 -1.65 0.00 0.00 177.43 179.03 1u81 h GLN 180 N -0.46 0.67 -0.03 0.81 4.20 -0.00 -3.50 115.11 116.80 1u81 h GLN 180 Ca -0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1u81 h GLN 180 Cb 1.31 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1u81 h GLN 180 CO 0.09 0.44 0.00 1.63 -0.67 0.00 0.00 178.83 180.33