#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 1.84 -0.06 3.17 3.52 -1.26 -0.21 118.95 125.96 1u81 s ARG 19 Ca 0.00 -0.57 -0.00 0.00 -0.13 0.00 0.00 55.73 55.03 1u81 s ARG 19 Cb 0.00 -1.55 0.03 0.00 -1.56 0.00 0.00 34.95 31.86 1u81 s ARG 19 CO 0.00 0.17 -0.02 0.42 -0.81 0.00 0.00 175.30 175.06 1u81 s ILE 20 N 0.24 0.44 -1.11 4.11 1.09 -1.04 -2.40 121.20 122.53 1u81 s ILE 20 Ca -0.08 0.01 -0.18 0.00 -1.10 0.00 0.00 60.65 59.29 1u81 s ILE 20 Cb -0.13 -0.53 0.11 0.00 -1.06 0.00 0.00 42.46 40.84 1u81 s ILE 20 CO 0.03 0.24 1.43 -0.76 -0.10 0.00 0.00 174.94 175.78 1u81 s LEU 21 N 1.43 4.39 -0.87 2.97 1.43 -1.26 -4.37 118.68 122.41 1u81 s LEU 21 Ca -0.03 -2.26 -0.25 0.00 -1.03 0.00 0.00 54.13 50.56 1u81 s LEU 21 Cb -0.13 -2.48 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 1u81 s LEU 21 CO -0.03 -1.11 2.02 -0.32 0.23 0.00 0.00 176.35 177.14 1u81 s MET 22 N 3.30 2.41 0.24 1.70 -2.45 -1.25 -3.09 119.30 120.16 1u81 s MET 22 Ca 0.44 -0.12 -0.20 0.00 -1.25 0.00 0.00 55.69 54.56 1u81 s MET 22 Cb -0.01 -4.98 -0.08 0.00 1.25 0.00 0.00 34.83 31.00 1u81 s MET 22 CO -0.03 -3.51 0.75 0.14 1.05 0.00 0.00 175.02 173.42 1u81 s VAL 23 N 10.76 4.53 -0.20 10.11 -7.23 0.12 -4.74 120.40 133.74 1u81 s VAL 23 Ca 0.74 1.34 -0.35 0.00 -1.81 0.00 0.00 61.98 61.89 1u81 s VAL 23 Cb -0.08 -3.87 0.14 0.00 0.56 0.00 0.00 36.38 33.13 1u81 s VAL 23 CO 0.02 0.19 1.23 -0.83 -0.31 0.00 0.00 175.10 175.40 1u81 s GLY 24 N -1.66 -0.26 0.00 2.32 0.00 -1.26 -0.98 107.32 105.48 1u81 s GLY 24 Ca 0.44 1.72 0.00 0.00 0.00 0.00 0.00 44.72 46.88 1u81 s GLY 24 CO 0.21 0.59 0.00 1.04 0.00 0.00 0.00 173.10 174.95 1u81 n LEU 25 N -0.02 0.00 -4.62 0.66 4.77 -1.26 -4.31 117.00 112.21 1u81 n LEU 25 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1u81 n LEU 25 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1u81 n LEU 25 CO 0.09 -0.11 0.78 1.51 -1.33 0.00 0.00 177.39 178.33 1u81 s ASP 26 N -1.37 6.78 -1.02 -1.43 -4.77 -1.26 -3.87 116.67 109.73 1u81 s ASP 26 Ca 0.00 0.80 -0.01 0.00 -3.30 0.00 0.00 52.55 50.04 1u81 s ASP 26 Cb 0.00 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 1u81 s ASP 26 CO 0.00 -0.78 0.15 0.00 0.70 0.00 0.00 175.17 175.24 1u81 n ALA 27 N 6.62 -0.46 -0.07 2.11 0.00 -1.26 -4.94 120.51 122.50 1u81 n ALA 27 Ca 0.08 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.50 1u81 n ALA 27 Cb 0.48 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 17.92 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 0.60 0.39 0.00 0.00 0.00 -1.91 -3.47 119.26 114.86 1u81 h ALA 28 Ca -0.31 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1u81 h ALA 28 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1u81 h ALA 28 CO 0.35 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1u81 n GLY 29 N 0.39 -0.12 0.29 0.00 0.00 -1.26 -4.70 105.19 99.79 1u81 n GLY 29 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.46 0.01 1.61 1.57 -1.93 -1.25 116.57 117.05 1u81 h LYS 30 Ca 0.00 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 1u81 h LYS 30 Cb 0.00 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.23 1u81 h LYS 30 CO 0.00 0.31 -1.05 1.15 -0.57 0.00 0.00 179.45 179.28 1u81 h THR 31 N 0.48 1.29 -0.85 -0.16 2.02 -1.97 -2.78 112.91 110.93 1u81 h THR 31 Ca 0.45 -2.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.34 1u81 h THR 31 Cb 0.71 2.41 -0.04 0.00 -1.74 0.00 0.00 68.15 69.48 1u81 h THR 31 CO -0.42 0.70 0.51 0.74 0.37 0.00 0.00 175.52 177.42 1u81 h THR 32 N 0.37 1.24 -0.19 3.16 2.02 -1.82 0.23 112.91 117.92 1u81 h THR 32 Ca -0.13 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 1u81 h THR 32 Cb 1.71 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1u81 h THR 32 CO 0.20 0.25 -0.03 0.40 0.37 0.00 0.00 175.52 176.72 1u81 h ILE 33 N 1.18 1.27 -0.73 3.11 2.04 -1.28 -3.04 117.51 120.05 1u81 h ILE 33 Ca 0.31 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1u81 h ILE 33 Cb -0.04 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1u81 h ILE 33 CO -0.06 0.29 0.34 -0.07 0.00 0.00 0.00 178.15 178.65 1u81 h LEU 34 N 0.08 0.95 -1.86 1.44 3.38 -1.14 -2.11 115.31 116.06 1u81 h LEU 34 Ca 0.05 -0.11 0.25 0.00 0.09 0.00 0.00 57.88 58.16 1u81 h LEU 34 Cb 0.45 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1u81 h LEU 34 CO 0.01 0.82 0.65 0.22 0.09 0.00 0.00 178.44 180.22 1u81 h TYR 35 N 1.04 0.15 0.00 1.13 3.20 -0.44 0.35 116.97 122.40 1u81 h TYR 35 Ca 0.25 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1u81 h TYR 35 Cb 0.13 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1u81 h TYR 35 CO 0.01 0.03 -0.06 0.87 -1.64 0.00 0.00 178.16 177.38 1u81 h LYS 36 N 0.11 0.00 -0.86 1.82 1.79 -1.41 -3.37 116.57 114.64 1u81 h LYS 36 Ca 0.45 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 59.15 1u81 h LYS 36 Cb 1.61 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 32.12 1u81 h LYS 36 CO -0.06 0.00 0.20 -0.07 -1.08 0.00 0.00 179.45 178.44 1u81 h LEU 37 N -0.63 -0.05 -2.52 2.94 3.38 -1.23 -3.47 115.31 113.73 1u81 h LEU 37 Ca 0.00 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1u81 h LEU 37 Cb 0.06 0.28 0.03 0.00 0.09 0.00 0.00 40.66 41.11 1u81 h LEU 37 CO 0.00 -0.16 -0.12 0.29 0.09 0.00 0.00 178.44 178.55 1u81 n LYS 38 N -5.24 -1.14 -0.25 1.13 5.02 0.12 -4.91 118.16 112.88 1u81 n LYS 38 Ca 0.20 1.17 0.02 0.00 -2.02 0.00 0.00 58.31 57.68 1u81 n LYS 38 Cb 0.65 -4.81 0.12 0.00 -0.02 0.00 0.00 35.03 30.97 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 -1.81 2.29 0.00 -0.35 4.77 -1.26 -4.95 117.00 115.69 1u81 n LEU 39 Ca -0.01 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1u81 n LEU 39 Cb 0.52 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1u81 n LEU 39 CO 0.42 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1u81 n GLY 40 N 0.23 0.49 0.30 -0.72 0.00 -1.26 -4.62 105.19 99.61 1u81 n GLY 40 Ca 0.08 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.61 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 1.05 0.00 -2.46 1.61 1.02 -1.26 -4.71 120.64 115.89 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 -0.13 -0.02 0.00 -0.02 0.00 0.00 31.44 31.27 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 0.08 4.31 -0.70 -3.67 1.01 -1.26 -4.97 121.20 116.00 1u81 s ILE 42 Ca 0.08 1.56 -0.26 0.00 0.00 0.00 0.00 60.65 62.03 1u81 s ILE 42 Cb -0.11 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.31 1u81 s ILE 42 CO 0.05 -0.22 1.19 -0.69 0.00 0.00 0.00 174.94 175.27 1u81 s VAL 43 N 3.65 3.91 -1.37 2.92 1.01 -1.26 -4.93 120.40 124.33 1u81 s VAL 43 Ca 0.53 0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.71 1u81 s VAL 43 Cb -0.20 -4.83 0.10 0.00 0.00 0.00 0.00 36.38 31.45 1u81 s VAL 43 CO 0.15 -1.68 2.17 0.41 0.00 0.00 0.00 175.10 176.14 1u81 n THR 44 N 6.30 4.28 -2.44 3.92 -1.04 -1.26 -4.03 114.28 120.01 1u81 n THR 44 Ca 0.02 -3.86 -0.22 0.00 -2.04 0.00 0.00 64.05 57.96 1u81 n THR 44 Cb 0.48 -2.40 0.12 0.00 -1.82 0.00 0.00 70.33 66.71 1u81 n THR 44 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1u81 n THR 45 N 3.50 0.00 -3.89 12.58 -2.24 -1.25 -4.94 114.28 118.04 1u81 n THR 45 Ca 0.51 -1.31 -0.29 0.00 -2.27 0.00 0.00 64.05 60.68 1u81 n THR 45 Cb 0.34 -1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 67.39 1u81 n THR 45 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1u81 s ILE 46 N -2.89 2.95 0.03 2.28 1.01 -1.26 -2.27 121.20 121.05 1u81 s ILE 46 Ca 0.61 -4.11 -0.22 0.00 0.00 0.00 0.00 60.65 56.93 1u81 s ILE 46 Cb -0.03 -2.94 -0.12 0.00 0.01 0.00 0.00 42.46 39.38 1u81 s ILE 46 CO 0.41 -0.98 1.19 -0.65 0.00 0.00 0.00 174.94 174.91 1u81 h PRO 47 N 5.61 -0.76 -6.49 2.79 0.11 -1.78 -3.43 132.00 128.05 1u81 h PRO 47 Ca 0.11 0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.75 1u81 h PRO 47 Cb 0.78 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1u81 h PRO 47 CO 0.72 -0.51 0.30 0.95 -0.21 0.00 0.00 178.00 179.26 1u81 s THR 48 N -4.50 4.56 -0.26 -1.15 -4.23 -1.26 -4.95 115.64 103.84 1u81 s THR 48 Ca -0.12 1.95 -0.39 0.00 -1.18 0.00 0.00 61.69 61.95 1u81 s THR 48 Cb 0.01 -4.26 -0.15 0.00 1.34 0.00 0.00 72.50 69.44 1u81 s THR 48 CO 0.35 0.33 1.77 -0.38 -0.54 0.00 0.00 174.62 176.15 1u81 n ILE 49 N 2.76 0.35 0.00 2.99 -0.00 -1.26 -3.58 119.36 120.62 1u81 n ILE 49 Ca 0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 1u81 n ILE 49 Cb 0.49 -1.32 0.00 0.00 -0.00 0.00 0.00 39.64 38.82 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 4.27 0.53 3.77 7.39 0.00 -1.26 -4.48 105.19 115.40 1u81 n GLY 50 Ca 0.26 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 2.96 0.18 1.61 5.36 -1.23 -5.00 117.98 121.85 1u81 s PHE 51 Ca 0.00 1.45 -0.25 0.00 -0.96 0.00 0.00 56.93 57.17 1u81 s PHE 51 Cb 0.00 -3.60 -0.08 0.00 -0.34 0.00 0.00 43.02 39.00 1u81 s PHE 51 CO 0.00 -1.80 0.79 -0.80 -1.46 0.00 0.00 175.22 171.95 1u81 s ASN 52 N -0.76 7.40 -0.03 6.13 -0.87 -1.26 -4.17 114.94 121.37 1u81 s ASN 52 Ca 0.54 1.66 0.02 0.00 -1.57 0.00 0.00 52.86 53.51 1u81 s ASN 52 Cb -0.37 -2.51 0.01 0.00 -0.02 0.00 0.00 41.25 38.37 1u81 s ASN 52 CO 0.48 0.20 -0.07 -0.69 -2.57 0.00 0.00 177.10 174.45 1u81 s VAL 53 N -1.17 0.65 -0.60 1.60 1.01 -0.96 -4.76 120.40 116.16 1u81 s VAL 53 Ca 0.37 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1u81 s VAL 53 Cb -0.23 -0.61 0.16 0.00 0.00 0.00 0.00 36.38 35.69 1u81 s VAL 53 CO 0.26 0.23 0.48 -1.61 0.00 0.00 0.00 175.10 174.46 1u81 s GLU 54 N 0.49 2.79 -0.42 2.72 2.02 -1.18 -3.78 118.70 121.33 1u81 s GLU 54 Ca -0.07 -2.15 -0.15 0.00 0.02 0.00 0.00 54.97 52.62 1u81 s GLU 54 Cb -0.11 -4.01 -0.15 0.00 0.10 0.00 0.00 34.13 29.96 1u81 s GLU 54 CO 0.01 -1.22 1.66 2.41 0.02 0.00 0.00 175.26 178.14 1u81 n THR 55 N 4.30 1.07 -1.18 3.63 -1.04 -1.26 -1.99 114.28 117.81 1u81 n THR 55 Ca 0.02 -0.77 -0.36 0.00 -2.04 0.00 0.00 64.05 60.89 1u81 n THR 55 Cb 0.41 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 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 5.59 2.79 -4.00 12.58 0.31 -0.97 -4.80 118.33 129.82 1u81 n VAL 56 Ca 0.36 -2.02 -0.31 0.00 -0.01 0.00 0.00 64.34 62.36 1u81 n VAL 56 Cb 0.25 -2.38 -0.16 0.00 -0.91 0.00 0.00 33.84 30.64 1u81 n VAL 56 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1u81 s GLU 57 N 3.64 2.05 -0.25 5.55 2.02 -1.26 -0.80 118.70 129.65 1u81 s GLU 57 Ca 0.52 -0.92 -0.12 0.00 0.02 0.00 0.00 54.97 54.47 1u81 s GLU 57 Cb 0.14 -2.50 0.09 0.00 0.10 0.00 0.00 34.13 31.96 1u81 s GLU 57 CO -0.00 -0.45 0.59 -0.47 0.02 0.00 0.00 175.26 174.94 1u81 s TYR 58 N 1.36 -0.98 0.00 1.61 5.04 -0.91 -4.96 117.35 118.50 1u81 s TYR 58 Ca -0.02 1.91 0.00 0.00 -2.44 0.00 0.00 57.07 56.52 1u81 s TYR 58 Cb -0.17 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.69 1u81 s TYR 58 CO -0.08 -0.51 0.00 1.63 -1.34 0.00 0.00 175.55 175.25 1u81 n LYS 59 N 4.63 0.00 0.17 4.97 5.02 -1.26 -3.86 118.16 127.84 1u81 n LYS 59 Ca -0.18 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.13 1u81 n LYS 59 Cb 0.55 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.93 1u81 n LYS 59 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1u81 h ASN 60 N 8.53 0.05 -2.98 4.39 -1.07 -2.00 -3.40 115.58 119.10 1u81 h ASN 60 Ca 0.00 -0.02 -0.61 0.00 0.07 0.00 0.00 56.30 55.74 1u81 h ASN 60 Cb 0.00 -0.01 -0.05 0.00 -2.07 0.00 0.00 38.32 36.19 1u81 h ASN 60 CO 0.00 0.37 -0.32 -0.63 0.07 0.00 0.00 177.43 176.92 1u81 s ILE 61 N -4.32 5.20 -0.16 6.14 1.01 -1.25 0.95 121.20 128.77 1u81 s ILE 61 Ca -0.03 0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1u81 s ILE 61 Cb 0.15 -3.60 0.08 0.00 0.01 0.00 0.00 42.46 39.09 1u81 s ILE 61 CO 0.73 0.36 0.27 -0.44 0.00 0.00 0.00 174.94 175.86 1u81 s SER 62 N -1.65 0.52 -0.24 3.58 0.01 0.71 -2.14 113.70 114.49 1u81 s SER 62 Ca 0.29 0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.97 1u81 s SER 62 Cb -0.14 0.71 0.06 0.00 0.21 0.00 0.00 66.02 66.86 1u81 s SER 62 CO 0.16 -0.26 -0.06 -0.36 0.41 0.00 0.00 173.24 173.13 1u81 s PHE 63 N 2.42 2.60 -1.00 2.43 0.08 0.02 -2.50 117.98 122.02 1u81 s PHE 63 Ca 0.03 -1.90 -0.23 0.00 0.12 0.00 0.00 56.93 54.96 1u81 s PHE 63 Cb -0.13 -1.67 0.06 0.00 -0.57 0.00 0.00 43.02 40.70 1u81 s PHE 63 CO -0.10 -0.80 1.41 0.99 -0.10 0.00 0.00 175.22 176.62 1u81 s THR 64 N 1.33 4.00 0.70 0.64 2.01 -1.26 -2.30 115.64 120.75 1u81 s THR 64 Ca -0.06 -0.81 -0.15 0.00 0.31 0.00 0.00 61.69 60.98 1u81 s THR 64 Cb -0.19 -5.03 0.02 0.00 0.01 0.00 0.00 72.50 67.31 1u81 s THR 64 CO -0.06 -1.89 1.16 -0.69 -0.69 0.00 0.00 174.62 172.44 1u81 s VAL 65 N 4.77 2.75 0.00 3.82 1.01 -0.84 -4.68 120.40 127.22 1u81 s VAL 65 Ca 0.44 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1u81 s VAL 65 Cb -0.01 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1u81 s VAL 65 CO -0.09 -0.21 0.00 -2.67 0.00 0.00 0.00 175.10 172.13 1u81 n TRP 66 N -2.61 0.00 -4.51 5.22 2.14 -1.26 -3.11 117.44 113.31 1u81 n TRP 66 Ca 0.12 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.43 1u81 n TRP 66 Cb 0.51 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.94 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 1.13 -4.78 -0.67 9.92 -1.26 -4.51 116.55 116.37 1u81 n ASP 67 Ca 0.00 -3.26 -0.37 0.00 -0.53 0.00 0.00 54.79 50.64 1u81 n ASP 67 Cb 0.00 1.11 -0.06 0.00 -0.64 0.00 0.00 41.12 41.54 1u81 n ASP 67 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1u81 s VAL 68 N -3.16 4.01 0.00 2.53 -7.23 -1.26 -4.95 120.40 110.34 1u81 s VAL 68 Ca 0.23 1.62 0.00 0.00 -1.81 0.00 0.00 61.98 62.02 1u81 s VAL 68 Cb 0.01 -3.88 0.00 0.00 0.56 0.00 0.00 36.38 33.07 1u81 s VAL 68 CO 0.16 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 1u81 n GLY 69 N 0.47 -1.61 5.33 2.32 0.00 -1.26 -5.05 105.19 105.38 1u81 n GLY 69 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 0.93 0.00 -0.02 0.00 -1.26 -2.71 105.19 102.13 1u81 n GLY 70 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -5.02 117.38 119.98 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 -3.54 1.69 5.75 -1.10 -2.50 116.55 116.85 1u81 n ASP 72 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.38 1u81 n ASP 72 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 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 3.17 4.06 -3.34 0.11 4.81 -1.26 -4.77 118.16 120.94 1u81 n LYS 73 Ca 0.00 -3.13 -0.24 0.00 -0.87 0.00 0.00 58.31 54.07 1u81 n LYS 73 Cb 0.00 -2.78 0.02 0.00 0.02 0.00 0.00 35.03 32.29 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 2.73 -4.33 -3.99 3.15 3.06 -1.04 -5.02 119.36 113.92 1u81 n ILE 74 Ca 0.61 0.34 -0.22 0.00 -2.50 0.00 0.00 62.75 60.97 1u81 n ILE 74 Cb 0.28 -3.85 -0.17 0.00 0.54 0.00 0.00 39.64 36.44 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 -2.03 0.87 0.00 9.51 6.06 -1.23 -5.03 118.95 127.10 1u81 s ARG 75 Ca 0.25 -0.05 0.00 0.00 -2.50 0.00 0.00 55.73 53.43 1u81 s ARG 75 Cb -0.03 -1.02 0.02 0.00 0.06 0.00 0.00 34.95 33.98 1u81 s ARG 75 CO 0.62 -0.19 0.20 -2.30 -2.50 0.00 0.00 175.30 171.13 1u81 n PRO 76 N 4.60 0.16 -0.04 5.12 -0.02 -1.26 -3.40 135.00 140.17 1u81 n PRO 76 Ca -0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.19 1u81 n PRO 76 Cb 0.50 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 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 0.00 0.81 0.00 2.45 -0.00 -1.98 -2.87 115.31 113.72 1u81 h LEU 77 Ca 0.00 -0.44 0.03 0.00 -0.00 0.00 0.00 57.88 57.47 1u81 h LEU 77 Cb 0.00 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 40.38 1u81 h LEU 77 CO 0.00 1.21 -0.29 -0.50 -0.00 0.00 0.00 178.44 178.86 1u81 h TRP 78 N 0.55 -0.79 -0.53 0.17 4.06 -1.96 0.11 115.95 117.57 1u81 h TRP 78 Ca 0.01 0.03 0.11 0.00 2.06 0.00 0.00 58.89 61.09 1u81 h TRP 78 Cb 1.15 0.35 -0.09 0.00 -1.00 0.00 0.00 29.16 29.57 1u81 h TRP 78 CO 0.06 -0.38 -0.05 0.00 -3.56 0.00 0.00 178.44 174.51 1u81 h ARG 79 N -0.44 0.07 0.00 0.49 -0.00 -1.82 0.29 114.38 112.97 1u81 h ARG 79 Ca 0.06 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.52 1u81 h ARG 79 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.48 1u81 h ARG 79 CO -0.25 0.04 -0.08 0.45 0.00 0.00 0.00 179.97 180.14 1u81 h HIS 80 N 0.07 0.00 -0.20 3.04 3.86 -1.15 -0.61 115.15 120.17 1u81 h HIS 80 Ca 0.26 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 1u81 h HIS 80 Cb 0.41 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1u81 h HIS 80 CO -0.37 0.08 -0.08 1.88 0.86 0.00 0.00 177.93 180.30 1u81 h TYR 81 N 0.00 0.46 -0.67 2.45 0.05 0.21 -2.22 116.97 117.25 1u81 h TYR 81 Ca -0.00 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1u81 h TYR 81 Cb 0.15 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 1u81 h TYR 81 CO 0.00 0.68 0.42 0.74 -1.05 0.00 0.00 178.16 178.96 1u81 h PHE 82 N 0.10 0.87 -0.40 4.88 0.04 -0.11 0.72 116.94 123.04 1u81 h PHE 82 Ca 0.05 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1u81 h PHE 82 Cb 0.55 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1u81 h PHE 82 CO 0.06 0.57 0.25 1.96 -0.60 0.00 0.00 178.31 180.56 1u81 h GLN 83 N 0.91 0.54 0.24 1.51 4.20 -1.05 -3.23 115.11 118.23 1u81 h GLN 83 Ca 0.24 -0.04 -0.34 0.00 0.06 0.00 0.00 58.65 58.57 1u81 h GLN 83 Cb -0.06 -0.12 0.03 0.00 0.30 0.00 0.00 27.48 27.64 1u81 h GLN 83 CO -0.05 0.38 -1.50 -2.95 -0.67 0.00 0.00 178.83 174.04 1u81 h ASN 84 N 0.54 0.81 -4.04 1.46 -1.07 -1.24 -3.46 115.58 108.57 1u81 h ASN 84 Ca 0.15 -0.89 -0.53 0.00 0.07 0.00 0.00 56.30 55.10 1u81 h ASN 84 Cb -0.03 -0.26 0.10 0.00 -2.07 0.00 0.00 38.32 36.06 1u81 h ASN 84 CO -0.03 1.70 0.53 -0.89 0.07 0.00 0.00 177.43 178.81 1u81 s THR 85 N -2.60 2.63 -0.00 6.14 2.01 0.23 -4.94 115.64 119.10 1u81 s THR 85 Ca -0.09 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1u81 s THR 85 Cb 0.04 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 1u81 s THR 85 CO 0.94 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.85 1u81 n GLN 86 N -0.90 3.51 -1.44 4.92 1.13 -1.23 -4.87 117.38 118.50 1u81 n GLN 86 Ca 0.10 -0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.97 1u81 n GLN 86 Cb 0.47 -0.75 0.12 0.00 0.11 0.00 0.00 30.24 30.19 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 1.75 -0.84 0.00 1.08 0.00 -1.01 -4.19 105.19 101.99 1u81 n GLY 87 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.98 0.99 7.94 -1.26 -4.22 117.00 116.47 1u81 n LEU 88 Ca 0.11 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.71 1u81 n LEU 88 Cb 0.39 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.18 1u81 n LEU 88 CO 0.28 0.00 -0.45 -0.63 -1.11 0.00 0.00 177.39 175.47 1u81 s ILE 89 N 0.00 1.59 -0.35 1.96 1.01 -1.18 -0.18 121.20 124.05 1u81 s ILE 89 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 1u81 s ILE 89 Cb 0.00 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1u81 s ILE 89 CO 0.00 0.15 0.25 0.12 0.00 0.00 0.00 174.94 175.46 1u81 s PHE 90 N 1.42 3.23 -0.39 3.97 5.36 0.02 0.13 117.98 131.72 1u81 s PHE 90 Ca -0.01 -0.32 -0.13 0.00 -0.96 0.00 0.00 56.93 55.51 1u81 s PHE 90 Cb -0.16 -2.49 0.02 0.00 -0.34 0.00 0.00 43.02 40.04 1u81 s PHE 90 CO -0.08 -0.42 0.26 0.08 -1.46 0.00 0.00 175.22 173.60 1u81 s VAL 91 N 1.71 5.04 -0.22 3.12 1.01 -0.16 0.89 120.40 131.80 1u81 s VAL 91 Ca 0.06 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 1u81 s VAL 91 Cb -0.18 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1u81 s VAL 91 CO 0.10 -0.23 0.19 -0.69 0.00 0.00 0.00 175.10 174.47 1u81 s VAL 92 N 1.65 5.35 -1.26 2.92 1.01 -0.89 -4.30 120.40 124.89 1u81 s VAL 92 Ca 0.04 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 1u81 s VAL 92 Cb -0.19 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1u81 s VAL 92 CO 0.09 0.36 1.81 -0.62 0.00 0.00 0.00 175.10 176.74 1u81 s ASP 93 N 0.83 6.19 0.64 3.32 -1.08 -1.26 -3.78 116.67 121.51 1u81 s ASP 93 Ca 0.10 -2.16 0.18 0.00 -0.52 0.00 0.00 52.55 50.14 1u81 s ASP 93 Cb -0.13 -2.58 0.80 0.00 -1.46 0.00 0.00 42.92 39.54 1u81 s ASP 93 CO 0.03 -1.86 1.40 0.28 0.52 0.00 0.00 175.17 175.54 1u81 h SER 94 N 8.37 0.00 0.00 -0.34 0.02 -1.74 -1.08 113.55 118.78 1u81 h SER 94 Ca 0.36 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1u81 h SER 94 Cb 0.90 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1u81 h SER 94 CO 1.38 0.00 -0.35 -1.13 -1.14 0.00 0.00 176.83 175.59 1u81 h ASN 95 N 0.00 0.00 -0.31 3.07 -1.24 -1.82 -3.36 115.58 111.92 1u81 h ASN 95 Ca 0.17 -0.64 -0.27 0.00 0.71 0.00 0.00 56.30 56.27 1u81 h ASN 95 Cb 1.88 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.87 1u81 h ASN 95 CO -0.00 1.02 1.24 -0.67 -1.29 0.00 0.00 177.43 177.73 1u81 n ASP 96 N -4.59 0.37 -0.84 1.15 -0.08 -0.41 -4.19 116.55 107.96 1u81 n ASP 96 Ca -0.14 -0.78 0.07 0.00 -1.51 0.00 0.00 54.79 52.44 1u81 n ASP 96 Cb 0.44 -1.11 0.20 0.00 2.34 0.00 0.00 41.12 42.99 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 7.49 2.92 -0.10 -0.67 1.85 -1.26 -3.70 116.66 123.20 1u81 n ARG 97 Ca 0.57 -2.29 -0.24 0.00 -1.00 0.00 0.00 57.85 54.89 1u81 n ARG 97 Cb 0.28 -1.42 -0.12 0.00 -1.05 0.00 0.00 32.46 30.15 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 0.61 0.63 -0.14 2.89 4.71 -1.26 -4.35 120.64 123.73 1u81 n GLU 98 Ca 0.16 0.34 0.10 0.00 -0.01 0.00 0.00 57.16 57.75 1u81 n GLU 98 Cb 0.54 -1.62 0.17 0.00 -1.01 0.00 0.00 31.44 29.52 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 -3.97 2.20 0.00 3.49 1.74 -1.26 -4.90 116.66 113.96 1u81 n ARG 99 Ca -0.42 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.63 1u81 n ARG 99 Cb 0.88 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 1u81 n ARG 99 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1u81 n VAL 100 N 1.21 0.00 0.46 1.55 3.14 -1.24 0.69 118.33 124.13 1u81 n VAL 100 Ca 0.16 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.60 1u81 n VAL 100 Cb 0.53 0.00 0.20 0.00 -1.06 0.00 0.00 33.84 33.51 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 0.00 2.64 -0.34 6.55 6.94 -1.26 -4.38 115.26 125.41 1u81 n ASN 101 Ca 0.00 -2.11 0.16 0.00 -0.02 0.00 0.00 54.58 52.61 1u81 n ASN 101 Cb 0.00 -0.36 0.36 0.00 -2.36 0.00 0.00 39.78 37.43 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 2.53 0.58 -0.05 -3.83 4.81 -0.16 0.13 114.58 118.59 1u81 h GLU 102 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1u81 h GLU 102 Cb 0.74 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1u81 h GLU 102 CO 0.06 0.38 -0.09 0.00 -0.73 0.00 0.00 179.01 178.63 1u81 h ALA 103 N 1.71 0.07 -1.59 2.92 0.00 -1.84 -3.12 119.26 117.42 1u81 h ALA 103 Ca 0.62 -0.32 0.46 0.00 0.00 0.00 0.00 54.91 55.67 1u81 h ALA 103 Cb 1.14 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1u81 h ALA 103 CO -0.46 -0.08 1.34 -2.13 0.00 0.00 0.00 179.25 177.92 1u81 n ARG 104 N -4.69 0.01 0.34 0.00 0.63 0.43 -0.08 116.66 113.29 1u81 n ARG 104 Ca -0.08 1.06 -0.14 0.00 -0.92 0.00 0.00 57.85 57.77 1u81 n ARG 104 Cb 0.34 -2.51 -0.06 0.00 0.45 0.00 0.00 32.46 30.67 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 -0.85 0.80 -0.14 4.39 -1.39 -0.23 114.58 117.17 1u81 h GLU 105 Ca 0.75 0.06 -0.04 0.00 0.34 0.00 0.00 59.36 60.47 1u81 h GLU 105 Cb 3.43 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 32.28 1u81 h GLU 105 CO -0.01 -0.57 -0.41 0.93 -1.16 0.00 0.00 179.01 177.79 1u81 h GLU 106 N -1.10 -1.07 -0.70 2.33 4.39 -0.92 -2.84 114.58 114.67 1u81 h GLU 106 Ca -0.09 0.07 0.27 0.00 0.34 0.00 0.00 59.36 59.95 1u81 h GLU 106 Cb 0.68 0.24 -0.13 0.00 -0.10 0.00 0.00 28.75 29.44 1u81 h GLU 106 CO 0.15 -0.71 0.29 -0.11 -1.16 0.00 0.00 179.01 177.47 1u81 n LEU 107 N -5.57 0.17 -0.52 1.33 7.94 0.89 0.51 117.00 121.74 1u81 n LEU 107 Ca -0.15 1.17 0.42 0.00 -1.11 0.00 0.00 56.01 56.35 1u81 n LEU 107 Cb 0.45 -0.54 0.71 0.00 0.53 0.00 0.00 43.42 44.57 1u81 n LEU 107 CO 0.38 -1.28 1.30 0.24 -1.11 0.00 0.00 177.39 176.92 1u81 h MET 108 N 0.00 0.03 0.17 1.96 2.86 -0.77 0.49 114.93 119.68 1u81 h MET 108 Ca 0.55 -0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.91 1u81 h MET 108 Cb 1.41 -0.01 0.03 0.00 0.06 0.00 0.00 31.60 33.09 1u81 h MET 108 CO -0.57 0.02 -1.21 0.00 1.06 0.00 0.00 176.91 176.21 1u81 h ARG 109 N 0.03 0.51 -0.29 1.72 -0.00 -0.12 -3.22 114.38 113.02 1u81 h ARG 109 Ca 0.87 -0.78 0.00 0.00 -0.50 0.00 0.00 59.98 59.57 1u81 h ARG 109 Cb 2.97 0.28 0.00 0.00 0.00 0.00 0.00 29.97 33.22 1u81 h ARG 109 CO -0.33 1.36 0.00 -1.33 0.00 0.00 0.00 179.97 179.67 1u81 n MET 110 N -3.86 0.19 -0.01 0.04 2.81 0.17 -3.26 117.12 113.20 1u81 n MET 110 Ca -0.15 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.74 1u81 n MET 110 Cb 0.98 -1.11 -0.00 0.00 -0.71 0.00 0.00 33.22 32.38 1u81 n MET 110 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1u81 h LEU 111 N 0.88 0.00 0.09 4.03 3.38 -1.55 -3.42 115.31 118.71 1u81 h LEU 111 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1u81 h LEU 111 Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 1u81 h LEU 111 CO 0.00 0.06 -1.23 0.00 0.09 0.00 0.00 178.44 177.36 1u81 h ALA 112 N -1.91 0.05 -0.24 1.53 0.00 -1.81 -3.48 119.26 113.40 1u81 h ALA 112 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 54.91 53.89 1u81 h ALA 112 Cb 0.04 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u81 h ALA 112 CO 0.00 0.76 0.19 0.39 0.00 0.00 0.00 179.25 180.59 1u81 n GLU 113 N -3.72 0.00 0.04 0.00 -0.58 -1.20 -4.88 120.64 110.29 1u81 n GLU 113 Ca -0.12 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.51 1u81 n GLU 113 Cb 0.99 -0.39 -0.08 0.00 -0.57 0.00 0.00 31.44 31.40 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 1.36 -0.16 -0.88 1.62 5.19 -1.94 -3.34 116.42 118.28 1u81 h ASP 114 Ca -0.11 -0.38 0.32 0.00 -0.62 0.00 0.00 57.03 56.24 1u81 h ASP 114 Cb 0.35 0.04 -0.16 0.00 0.18 0.00 0.00 39.33 39.74 1u81 h ASP 114 CO 0.25 0.42 0.31 -0.62 -3.12 0.00 0.00 179.24 176.49 1u81 n GLU 115 N -4.89 -0.06 -2.48 3.56 -0.58 -1.26 -1.39 120.64 113.54 1u81 n GLU 115 Ca -0.07 1.25 -0.36 0.00 -0.42 0.00 0.00 57.16 57.55 1u81 n GLU 115 Cb 0.27 -2.14 0.01 0.00 -0.57 0.00 0.00 31.44 29.00 1u81 n GLU 115 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1u81 n LEU 116 N -5.09 6.47 0.00 -4.62 4.77 -1.25 -4.80 117.00 112.49 1u81 n LEU 116 Ca 0.29 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.99 1u81 n LEU 116 Cb 0.97 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1u81 n LEU 116 CO -0.02 2.06 0.05 0.54 -1.33 0.00 0.00 177.39 178.70 1u81 n ARG 117 N -0.29 0.00 -0.31 3.23 5.12 -0.48 -4.38 116.66 119.55 1u81 n ARG 117 Ca 0.45 0.50 0.01 0.00 -1.93 0.00 0.00 57.85 56.88 1u81 n ARG 117 Cb 0.33 -1.05 0.15 0.00 -1.16 0.00 0.00 32.46 30.73 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 0.82 0.00 0.55 2.03 -1.87 -3.44 116.42 114.51 1u81 h ASP 118 Ca 0.00 0.02 -0.29 0.00 -0.73 0.00 0.00 57.03 56.03 1u81 h ASP 118 Cb 0.00 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 38.32 1u81 h ASP 118 CO 0.00 0.51 0.82 0.00 -1.03 0.00 0.00 179.24 179.54 1u81 n ALA 119 N -2.36 0.14 -2.13 4.15 0.00 -1.26 -4.78 120.51 114.27 1u81 n ALA 119 Ca 0.13 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1u81 n ALA 119 Cb 0.20 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 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 4.10 3.71 -0.12 0.00 1.01 -1.26 -4.86 120.40 122.99 1u81 s VAL 120 Ca 0.66 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1u81 s VAL 120 Cb -0.67 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1u81 s VAL 120 CO 0.27 -0.31 1.50 -0.22 0.00 0.00 0.00 175.10 176.34 1u81 s LEU 121 N 5.21 4.21 -0.70 3.92 2.96 -1.11 -4.00 118.68 129.17 1u81 s LEU 121 Ca 0.71 1.93 -0.04 0.00 -0.22 0.00 0.00 54.13 56.51 1u81 s LEU 121 Cb -0.24 -3.53 0.18 0.00 0.50 0.00 0.00 46.19 43.09 1u81 s LEU 121 CO 0.29 -0.91 0.54 -0.22 -1.32 0.00 0.00 176.35 174.73 1u81 s LEU 122 N 3.99 5.48 -0.78 -0.68 2.96 0.75 -0.80 118.68 129.61 1u81 s LEU 122 Ca 0.66 -3.00 -0.26 0.00 -0.22 0.00 0.00 54.13 51.31 1u81 s LEU 122 Cb -0.28 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.52 1u81 s LEU 122 CO 0.24 -0.36 1.50 -0.69 -1.32 0.00 0.00 176.35 175.72 1u81 s VAL 123 N -0.28 3.65 -0.84 1.68 1.01 0.14 -0.80 120.40 124.96 1u81 s VAL 123 Ca 0.19 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 1u81 s VAL 123 Cb -0.17 -4.65 0.03 0.00 0.00 0.00 0.00 36.38 31.60 1u81 s VAL 123 CO -0.05 -1.58 1.39 -0.36 0.00 0.00 0.00 175.10 174.49 1u81 s PHE 124 N 6.72 2.33 -1.17 5.22 0.08 0.26 -3.96 117.98 127.46 1u81 s PHE 124 Ca 0.47 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 57.12 1u81 s PHE 124 Cb -0.07 -4.62 0.22 0.00 -0.57 0.00 0.00 43.02 37.98 1u81 s PHE 124 CO 0.10 -2.03 1.32 0.00 -0.10 0.00 0.00 175.22 174.52 1u81 n ALA 125 N 9.47 4.12 -2.57 5.36 0.00 -1.25 -2.09 120.51 133.55 1u81 n ALA 125 Ca 0.16 -4.44 -0.25 0.00 0.00 0.00 0.00 53.44 48.91 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 1.99 6.29 0.00 0.00 2.47 -1.25 -3.80 114.94 120.64 1u81 s ASN 126 Ca 0.38 0.56 0.00 0.00 0.42 0.00 0.00 52.86 54.21 1u81 s ASN 126 Cb -0.05 -2.08 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 1u81 s ASN 126 CO -0.03 -0.36 0.00 0.29 -3.72 0.00 0.00 177.10 173.29 1u81 n LYS 127 N -1.88 0.00 0.31 0.43 5.02 -1.26 -2.66 118.16 118.11 1u81 n LYS 127 Ca -0.04 0.47 -0.12 0.00 -2.02 0.00 0.00 58.31 56.61 1u81 n LYS 127 Cb 0.56 -3.85 -0.06 0.00 -0.02 0.00 0.00 35.03 31.66 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 -0.76 -0.73 1.97 -0.00 -1.89 -3.16 115.11 110.54 1u81 h GLN 128 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1u81 h GLN 128 Cb 0.02 0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.67 1u81 h GLN 128 CO 0.00 -0.51 0.00 -0.40 0.00 0.00 0.00 178.83 177.92 1u81 n ASP 129 N -4.40 0.44 -4.74 -0.69 5.75 -1.26 -4.76 116.55 106.90 1u81 n ASP 129 Ca -0.10 -0.54 -0.40 0.00 -0.01 0.00 0.00 54.79 53.74 1u81 n ASP 129 Cb 0.31 -0.13 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 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 4.44 0.31 -2.12 1.43 -1.19 -4.98 118.68 116.56 1u81 s LEU 130 Ca 0.00 1.50 0.06 0.00 -1.03 0.00 0.00 54.13 54.67 1u81 s LEU 130 Cb 0.00 -3.31 0.74 0.00 0.03 0.00 0.00 46.19 43.65 1u81 s LEU 130 CO 0.00 -0.04 1.79 -0.65 0.23 0.00 0.00 176.35 177.68 1u81 h PRO 131 N 5.86 0.75 0.00 1.29 0.11 -1.92 -0.48 132.00 137.61 1u81 h PRO 131 Ca -0.43 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1u81 h PRO 131 Cb 1.21 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1u81 h PRO 131 CO 0.72 0.50 -0.53 -0.97 -0.21 0.00 0.00 178.00 177.50 1u81 h ASN 132 N 0.77 0.00 -4.21 -2.05 -1.24 -1.93 -3.46 115.58 103.46 1u81 h ASN 132 Ca 0.56 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 57.06 1u81 h ASN 132 Cb 0.86 0.00 0.11 0.00 0.73 0.00 0.00 38.32 40.02 1u81 h ASN 132 CO -0.35 0.53 0.37 0.00 -1.29 0.00 0.00 177.43 176.69 1u81 s ALA 133 N -3.29 2.39 0.78 1.57 0.00 -0.19 -4.81 121.76 118.21 1u81 s ALA 133 Ca 0.01 0.57 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 1u81 s ALA 133 Cb 0.10 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.93 1u81 s ALA 133 CO 0.73 -1.42 1.09 -1.33 0.00 0.00 0.00 175.76 174.82 1u81 n MET 134 N -2.58 0.31 -0.63 0.00 2.81 -1.26 -4.89 117.12 110.88 1u81 n MET 134 Ca 0.11 0.17 -0.31 0.00 -1.81 0.00 0.00 57.70 55.86 1u81 n MET 134 Cb 0.52 -2.34 0.19 0.00 -0.71 0.00 0.00 33.22 30.88 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 -2.57 -2.18 -0.18 7.83 0.23 -1.26 -4.57 115.26 112.57 1u81 n ASN 135 Ca 0.13 -0.11 -0.04 0.00 -0.53 0.00 0.00 54.58 54.03 1u81 n ASN 135 Cb 0.50 -1.05 0.02 0.00 -2.08 0.00 0.00 39.78 37.17 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 -2.21 0.06 0.32 -2.53 0.00 -1.92 -2.43 119.26 110.57 1u81 h ALA 136 Ca -0.55 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1u81 h ALA 136 Cb 1.35 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1u81 h ALA 136 CO 0.41 -0.61 -0.15 0.00 0.00 0.00 0.00 179.25 178.89 1u81 h ALA 137 N 1.13 -0.43 0.00 0.00 0.00 -2.01 -3.14 119.26 114.82 1u81 h ALA 137 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u81 h ALA 137 Cb 0.52 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1u81 h ALA 137 CO -0.63 -0.51 0.09 1.05 0.00 0.00 0.00 179.25 179.25 1u81 h GLU 138 N -0.89 0.00 -0.58 0.00 4.11 -1.89 0.17 114.58 115.50 1u81 h GLU 138 Ca -0.04 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.48 1u81 h GLU 138 Cb 0.52 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 1u81 h GLU 138 CO 0.07 0.00 0.18 0.82 0.07 0.00 0.00 179.01 180.16 1u81 h ILE 139 N 0.00 0.73 -0.02 -1.06 1.08 -1.38 -2.46 117.51 114.41 1u81 h ILE 139 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1u81 h ILE 139 Cb 0.18 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1u81 h ILE 139 CO 0.00 0.06 -0.16 0.41 -0.69 0.00 0.00 178.15 177.77 1u81 n THR 140 N -5.05 0.00 0.00 -0.27 -1.04 0.08 -4.71 114.28 103.30 1u81 n THR 140 Ca 0.08 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1u81 n THR 140 Cb 0.28 1.30 0.00 0.00 -1.82 0.00 0.00 70.33 70.09 1u81 n THR 140 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1u81 n ASP 141 N 0.53 0.00 -0.07 8.00 2.03 0.37 -3.29 116.55 124.12 1u81 n ASP 141 Ca 0.09 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.46 1u81 n ASP 141 Cb 0.41 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.00 -0.01 0.30 -0.67 4.76 -1.21 0.28 118.16 121.61 1u81 n LYS 142 Ca 0.00 0.29 0.13 0.00 -2.87 0.00 0.00 58.31 55.87 1u81 n LYS 142 Cb 0.00 -0.51 0.66 0.00 -1.84 0.00 0.00 35.03 33.34 1u81 n LYS 142 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1u81 h LEU 143 N 0.00 0.00 0.00 -0.35 3.38 -1.78 -3.44 115.31 113.12 1u81 h LEU 143 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1u81 h LEU 143 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1u81 h LEU 143 CO -0.17 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.97 1u81 n GLY 144 N -1.31 0.55 0.16 0.83 0.00 0.14 -4.93 105.19 100.64 1u81 n GLY 144 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.56 0.03 0.99 4.77 -1.24 -1.48 117.00 120.64 1u81 n LEU 145 Ca 0.00 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 1u81 n LEU 145 Cb 0.00 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 40.87 1u81 n LEU 145 CO 0.00 0.10 -0.34 -0.74 -1.33 0.00 0.00 177.39 175.08 1u81 h HIS 146 N 0.80 0.25 0.00 -1.77 2.76 -1.71 -3.40 115.15 112.08 1u81 h HIS 146 Ca 0.00 -0.18 -0.17 0.00 -2.20 0.00 0.00 60.37 57.81 1u81 h HIS 146 Cb 0.28 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1u81 h HIS 146 CO 0.00 1.24 -1.65 -1.13 -1.30 0.00 0.00 177.93 175.09 1u81 n SER 147 N -3.32 2.92 -4.65 3.26 3.41 -1.22 -4.98 113.62 109.03 1u81 n SER 147 Ca -0.15 -0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.00 1u81 n SER 147 Cb 1.03 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 65.20 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 -5.20 4.18 0.00 1.04 1.43 -0.55 -4.99 118.68 114.60 1u81 s LEU 148 Ca -0.10 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1u81 s LEU 148 Cb 0.03 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1u81 s LEU 148 CO 0.32 -0.97 0.00 0.54 0.23 0.00 0.00 176.35 176.47 1u81 n ARG 149 N 7.15 2.42 0.00 1.70 5.12 -1.26 -4.78 116.66 127.01 1u81 n ARG 149 Ca 0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 1u81 n ARG 149 Cb 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 1u81 n ARG 149 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1u81 n HIS 150 N 0.00 0.00 -1.84 -1.55 8.25 -1.26 -4.95 115.22 113.87 1u81 n HIS 150 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1u81 n HIS 150 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 3.80 -0.18 -0.41 3.52 -1.26 -4.93 118.95 119.49 1u81 s ARG 151 Ca 0.00 2.40 -0.29 0.00 -0.13 0.00 0.00 55.73 57.71 1u81 s ARG 151 Cb 0.00 -2.72 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1u81 s ARG 151 CO 0.00 -0.72 1.30 1.21 -0.81 0.00 0.00 175.30 176.28 1u81 s ASN 152 N -0.48 6.88 0.38 -2.12 3.84 -1.26 -4.97 114.94 117.21 1u81 s ASN 152 Ca 0.59 1.66 -0.12 0.00 0.21 0.00 0.00 52.86 55.20 1u81 s ASN 152 Cb -0.43 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 37.77 1u81 s ASN 152 CO 0.56 -0.82 0.72 -1.66 -2.79 0.00 0.00 177.10 173.10 1u81 s TRP 153 N 3.69 0.38 -0.30 0.43 1.48 -1.26 -2.73 118.94 120.63 1u81 s TRP 153 Ca 0.56 -0.95 -0.26 0.00 -1.06 0.00 0.00 56.10 54.39 1u81 s TRP 153 Cb -0.22 0.61 0.20 0.00 -1.16 0.00 0.00 33.47 32.90 1u81 s TRP 153 CO 0.17 -1.48 1.46 -0.47 -4.06 0.00 0.00 176.95 172.56 1u81 s TYR 154 N -2.41 -0.01 -0.23 1.66 5.04 0.02 -4.80 117.35 116.61 1u81 s TYR 154 Ca 0.19 0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.79 1u81 s TYR 154 Cb -0.04 0.50 0.11 0.00 0.35 0.00 0.00 41.96 42.88 1u81 s TYR 154 CO 0.14 -0.01 0.47 -1.50 -1.34 0.00 0.00 175.55 173.31 1u81 s ILE 155 N -0.29 -0.73 0.31 3.14 2.07 -1.26 0.23 121.20 124.67 1u81 s ILE 155 Ca 0.08 0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.47 1u81 s ILE 155 Cb -0.04 -0.78 -0.06 0.00 0.13 0.00 0.00 42.46 41.71 1u81 s ILE 155 CO -0.14 0.02 -0.05 -1.58 -1.91 0.00 0.00 174.94 171.27 1u81 s GLN 156 N 2.67 1.67 -0.17 3.50 2.00 -1.25 -5.04 119.66 123.04 1u81 s GLN 156 Ca 0.02 -1.87 -0.29 0.00 -2.00 0.00 0.00 55.36 51.22 1u81 s GLN 156 Cb -0.13 -1.32 -0.04 0.00 0.80 0.00 0.00 33.01 32.32 1u81 s GLN 156 CO -0.15 0.03 1.79 0.00 -0.50 0.00 0.00 175.29 176.46 1u81 s ALA 157 N -2.91 3.25 -0.52 1.58 0.00 -1.26 -3.93 121.76 117.98 1u81 s ALA 157 Ca 0.32 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 1u81 s ALA 157 Cb 0.04 -3.88 0.13 0.00 0.00 0.00 0.00 23.12 19.41 1u81 s ALA 157 CO 0.14 -2.00 0.38 0.95 0.00 0.00 0.00 175.76 175.23 1u81 s THR 158 N 5.55 4.11 -0.81 0.00 -4.23 -1.25 -2.80 115.64 116.21 1u81 s THR 158 Ca 0.80 -2.08 -0.17 0.00 -1.18 0.00 0.00 61.69 59.05 1u81 s THR 158 Cb -0.30 -3.70 0.15 0.00 1.34 0.00 0.00 72.50 70.00 1u81 s THR 158 CO 0.32 -0.80 0.91 0.00 -0.54 0.00 0.00 174.62 174.51 1u81 h ALA 160 N 8.59 0.47 -0.65 0.00 0.00 -1.87 0.30 119.26 126.09 1u81 h ALA 160 Ca 0.03 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1u81 h ALA 160 Cb 1.04 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1u81 h ALA 160 CO 0.99 0.23 -0.47 1.79 0.00 0.00 0.00 179.25 181.79 1u81 h THR 161 N 0.43 0.00 0.15 0.00 1.35 -1.91 -3.06 112.91 109.87 1u81 h THR 161 Ca 0.10 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.95 1u81 h THR 161 Cb 0.45 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1u81 h THR 161 CO 0.02 0.00 -0.07 0.77 -0.25 0.00 0.00 175.52 175.98 1u81 h SER 162 N -0.11 -0.17 0.00 5.36 4.64 -1.99 -3.49 113.55 117.80 1u81 h SER 162 Ca 0.11 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1u81 h SER 162 Cb 0.38 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1u81 h SER 162 CO -0.67 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.31 1u81 n GLY 163 N 0.95 0.86 3.38 -0.77 0.00 0.95 -5.13 105.19 105.44 1u81 n GLY 163 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.23 0.00 1.61 2.03 -0.67 -2.61 116.55 114.69 1u81 n ASP 164 Ca 0.00 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1u81 n ASP 164 Cb 0.00 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 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 1.64 1.21 0.24 0.27 0.00 -1.12 -0.86 105.19 106.57 1u81 n GLY 165 Ca 0.05 0.00 -0.07 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 0.69 0.40 0.99 3.38 -1.77 -2.65 115.31 116.35 1u81 h LEU 166 Ca 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1u81 h LEU 166 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1u81 h LEU 166 CO 0.00 0.60 -0.23 0.22 0.09 0.00 0.00 178.44 179.12 1u81 h TYR 167 N 0.74 -0.60 -1.00 1.13 5.03 -1.83 -0.79 116.97 119.65 1u81 h TYR 167 Ca 0.19 -0.01 0.25 0.00 2.58 0.00 0.00 58.73 61.74 1u81 h TYR 167 Cb 0.06 0.21 -0.13 0.00 1.55 0.00 0.00 36.73 38.43 1u81 h TYR 167 CO -0.01 -0.35 0.59 0.93 -1.32 0.00 0.00 178.16 178.00 1u81 h GLU 168 N -0.59 0.55 0.60 1.82 3.07 -1.94 -1.75 114.58 116.34 1u81 h GLU 168 Ca -0.05 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 1u81 h GLU 168 Cb 0.46 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1u81 h GLU 168 CO 0.07 0.36 -0.29 0.78 -1.40 0.00 0.00 179.01 178.53 1u81 h GLY 169 N 0.56 -0.84 0.48 -3.84 0.00 -1.30 -2.06 103.07 96.07 1u81 h GLY 169 Ca 0.65 0.31 0.05 0.00 0.00 0.00 0.00 47.33 48.34 1u81 h GLY 169 CO -0.48 -0.31 -0.07 1.41 0.00 0.00 0.00 176.54 177.09 1u81 h LEU 170 N -1.13 -0.24 0.27 3.11 3.38 -0.64 -0.72 115.31 119.35 1u81 h LEU 170 Ca -0.08 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1u81 h LEU 170 Cb 0.66 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1u81 h LEU 170 CO 0.14 -0.09 -0.13 -0.78 0.09 0.00 0.00 178.44 177.67 1u81 h ASP 171 N 0.00 -0.31 -0.35 -0.43 3.58 -1.44 -0.93 116.42 116.54 1u81 h ASP 171 Ca 0.13 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.64 1u81 h ASP 171 Cb 0.19 0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.25 1u81 h ASP 171 CO -0.27 -0.20 -0.11 -0.25 -2.88 0.00 0.00 179.24 175.54 1u81 h TRP 172 N -0.39 -0.23 0.65 0.28 7.01 -1.15 -1.33 115.95 120.78 1u81 h TRP 172 Ca -0.04 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1u81 h TRP 172 Cb 0.30 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 1u81 h TRP 172 CO -0.05 -0.17 -0.47 1.25 -2.79 0.00 0.00 178.44 176.20 1u81 h LEU 173 N -0.03 -1.23 -0.63 0.65 5.85 -1.01 0.52 115.31 119.43 1u81 h LEU 173 Ca 0.17 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1u81 h LEU 173 Cb 0.29 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.59 1u81 h LEU 173 CO -0.38 -0.69 -0.49 -1.28 -0.34 0.00 0.00 178.44 175.27 1u81 h SER 174 N -1.08 -1.70 0.23 1.25 0.87 -0.84 0.76 113.55 113.06 1u81 h SER 174 Ca -0.08 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1u81 h SER 174 Cb 0.89 0.75 -0.02 0.00 -0.44 0.00 0.00 62.40 63.59 1u81 h SER 174 CO 0.03 -0.33 -0.23 0.78 -0.53 0.00 0.00 176.83 176.55 1u81 h ASN 175 N -0.22 -0.61 0.11 6.23 2.35 -1.14 -1.58 115.58 120.71 1u81 h ASN 175 Ca 0.16 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1u81 h ASN 175 Cb 0.55 0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 1u81 h ASN 175 CO -0.73 -0.34 -0.39 1.56 -1.65 0.00 0.00 177.43 175.89 1u81 h GLN 176 N -0.49 -0.54 0.17 0.81 1.08 -0.02 0.12 115.11 116.23 1u81 h GLN 176 Ca -0.00 0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1u81 h GLN 176 Cb 0.46 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.97 1u81 h GLN 176 CO -0.05 -0.36 -0.37 -0.07 -0.95 0.00 0.00 178.83 177.03 1u81 h LEU 177 N -0.56 -1.07 -1.48 1.46 3.38 -0.88 0.56 115.31 116.71 1u81 h LEU 177 Ca -0.01 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1u81 h LEU 177 Cb 0.56 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1u81 h LEU 177 CO -0.20 -0.47 0.42 -0.09 0.09 0.00 0.00 178.44 178.20 1u81 h ARG 178 N -0.64 0.61 0.04 1.13 2.43 -1.22 -2.48 114.38 114.26 1u81 h ARG 178 Ca 0.02 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 58.89 1u81 h ARG 178 Cb 0.64 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1u81 h ARG 178 CO -0.19 0.41 -1.33 -0.91 -1.51 0.00 0.00 179.97 176.44 1u81 h ASN 179 N 0.63 0.13 -0.69 -3.80 2.35 -0.04 -3.37 115.58 110.79 1u81 h ASN 179 Ca 0.28 -0.17 0.14 0.00 -0.55 0.00 0.00 56.30 55.99 1u81 h ASN 179 Cb 0.28 -0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.51 1u81 h ASN 179 CO -0.08 1.14 0.19 1.56 -1.65 0.00 0.00 177.43 178.59 1u81 h GLN 180 N 0.02 0.31 -0.01 0.81 4.20 0.58 -3.50 115.11 117.52 1u81 h GLN 180 Ca -0.15 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1u81 h GLN 180 Cb 1.91 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.62 1u81 h GLN 180 CO 0.13 0.20 0.00 1.63 -0.67 0.00 0.00 178.83 180.12