#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 3.11 -0.19 3.17 3.52 -1.26 -1.67 118.95 125.63 1u81 s ARG 19 Ca 0.00 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1u81 s ARG 19 Cb 0.00 -2.58 0.04 0.00 -1.56 0.00 0.00 34.95 30.85 1u81 s ARG 19 CO 0.00 -0.07 -0.10 0.42 -0.81 0.00 0.00 175.30 174.74 1u81 s ILE 20 N 0.99 1.58 -1.08 4.11 1.09 -0.99 -0.59 121.20 126.30 1u81 s ILE 20 Ca -0.02 -0.92 -0.21 0.00 -1.10 0.00 0.00 60.65 58.40 1u81 s ILE 20 Cb -0.15 -1.64 0.07 0.00 -1.06 0.00 0.00 42.46 39.68 1u81 s ILE 20 CO -0.04 0.21 1.48 -0.76 -0.10 0.00 0.00 174.94 175.73 1u81 s LEU 21 N 1.43 3.83 -1.16 2.97 1.43 -1.26 -4.16 118.68 121.76 1u81 s LEU 21 Ca -0.00 -1.83 -0.21 0.00 -1.03 0.00 0.00 54.13 51.06 1u81 s LEU 21 Cb -0.16 -2.54 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 1u81 s LEU 21 CO -0.08 -1.34 1.79 -0.32 0.23 0.00 0.00 176.35 176.62 1u81 s MET 22 N 4.38 3.23 0.44 1.70 1.75 -1.25 -2.02 119.30 127.52 1u81 s MET 22 Ca 0.46 -1.35 -0.08 0.00 -1.25 0.00 0.00 55.69 53.47 1u81 s MET 22 Cb 0.00 -5.35 -0.05 0.00 2.84 0.00 0.00 34.83 32.27 1u81 s MET 22 CO -0.05 -2.99 0.78 0.14 -0.65 0.00 0.00 175.02 172.25 1u81 s VAL 23 N 7.44 4.84 0.00 10.11 -7.23 0.25 -4.72 120.40 131.08 1u81 s VAL 23 Ca 0.60 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 61.21 1u81 s VAL 23 Cb 0.00 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1u81 s VAL 23 CO 0.06 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 1u81 n GLY 24 N -1.69 0.98 0.00 2.32 0.00 -1.26 -1.21 105.19 104.32 1u81 n GLY 24 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.93 0.99 4.77 -1.26 -3.75 117.00 112.82 1u81 n LEU 25 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1u81 n LEU 25 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1u81 n LEU 25 CO 0.00 -0.02 0.03 1.51 -1.33 0.00 0.00 177.39 177.59 1u81 s ASP 26 N -1.18 6.37 -1.48 -1.43 1.47 -1.26 -4.29 116.67 114.87 1u81 s ASP 26 Ca 0.00 0.37 0.00 0.00 1.18 0.00 0.00 52.55 54.10 1u81 s ASP 26 Cb 0.00 -2.00 0.00 0.00 -0.34 0.00 0.00 42.92 40.58 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 -0.88 -0.31 0.13 2.11 0.00 -1.26 -4.87 120.51 115.44 1u81 n ALA 27 Ca -0.05 0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1u81 n ALA 27 Cb 0.54 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 0.69 -0.40 0.00 0.00 0.00 -1.91 -3.48 119.26 114.17 1u81 h ALA 28 Ca -0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1u81 h ALA 28 Cb 0.99 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1u81 h ALA 28 CO 0.43 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1u81 n GLY 29 N 0.31 -0.37 0.07 0.00 0.00 -1.26 -4.59 105.19 99.35 1u81 n GLY 29 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.10 -0.05 1.61 1.57 -1.93 -2.72 116.57 115.15 1u81 h LYS 30 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1u81 h LYS 30 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1u81 h LYS 30 CO 0.00 0.18 -0.08 1.15 -0.57 0.00 0.00 179.45 180.13 1u81 h THR 31 N -0.01 1.10 0.59 -0.16 2.02 -1.99 -2.81 112.91 111.65 1u81 h THR 31 Ca 0.02 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1u81 h THR 31 Cb 0.12 1.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1u81 h THR 31 CO -0.00 0.13 -0.28 0.74 0.37 0.00 0.00 175.52 176.47 1u81 h THR 32 N 0.08 0.23 -0.85 3.16 2.02 -1.92 0.13 112.91 115.76 1u81 h THR 32 Ca 0.02 -0.36 0.21 0.00 0.77 0.00 0.00 66.41 67.05 1u81 h THR 32 Cb 0.20 0.32 -0.15 0.00 -1.74 0.00 0.00 68.15 66.78 1u81 h THR 32 CO 0.01 0.03 0.03 0.40 0.37 0.00 0.00 175.52 176.36 1u81 h ILE 33 N -1.08 0.22 -0.47 3.11 2.04 -1.37 0.37 117.51 120.33 1u81 h ILE 33 Ca -0.08 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1u81 h ILE 33 Cb 0.66 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1u81 h ILE 33 CO 0.13 0.02 0.18 -0.07 0.00 0.00 0.00 178.15 178.40 1u81 h LEU 34 N 0.08 0.65 -1.82 1.44 3.38 -1.29 -1.22 115.31 116.53 1u81 h LEU 34 Ca 0.49 -0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.44 1u81 h LEU 34 Cb 0.92 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1u81 h LEU 34 CO -0.76 0.66 0.59 0.22 0.09 0.00 0.00 178.44 179.23 1u81 h TYR 35 N 0.61 0.00 0.08 1.13 3.20 0.25 0.59 116.97 122.84 1u81 h TYR 35 Ca 0.15 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 1u81 h TYR 35 Cb 0.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1u81 h TYR 35 CO 0.01 0.00 -0.78 0.87 -1.64 0.00 0.00 178.16 176.62 1u81 h LYS 36 N 0.00 0.17 -0.40 1.82 1.79 -0.47 -3.37 116.57 116.11 1u81 h LYS 36 Ca 0.25 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1u81 h LYS 36 Cb 1.43 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.17 1u81 h LYS 36 CO -0.00 1.14 0.18 -0.07 -1.08 0.00 0.00 179.45 179.62 1u81 h LEU 37 N -0.60 0.53 -1.32 2.94 3.38 -0.52 -3.47 115.31 116.25 1u81 h LEU 37 Ca -0.16 -0.14 -0.29 0.00 0.09 0.00 0.00 57.88 57.37 1u81 h LEU 37 Cb 1.45 -0.14 0.13 0.00 0.09 0.00 0.00 40.66 42.19 1u81 h LEU 37 CO 0.05 0.52 -0.59 0.29 0.09 0.00 0.00 178.44 178.80 1u81 n LYS 38 N -4.68 -5.91 -3.27 1.13 5.02 -0.63 -4.99 118.16 104.83 1u81 n LYS 38 Ca -0.00 0.68 -0.41 0.00 -2.02 0.00 0.00 58.31 56.56 1u81 n LYS 38 Cb 0.12 -5.24 -0.08 0.00 -0.02 0.00 0.00 35.03 29.81 1u81 n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u81 s LEU 39 N -5.82 4.40 0.00 -0.35 1.43 -1.26 -4.90 118.68 112.19 1u81 s LEU 39 Ca 0.23 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1u81 s LEU 39 Cb -0.10 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1u81 s LEU 39 CO 0.59 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1u81 n GLY 40 N 4.85 2.84 3.62 -3.19 0.00 -1.26 -4.52 105.19 107.53 1u81 n GLY 40 Ca -0.06 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.79 -0.83 1.61 2.02 -1.26 -5.09 118.70 115.94 1u81 s GLU 41 Ca 0.00 1.04 -0.31 0.00 0.02 0.00 0.00 54.97 55.73 1u81 s GLU 41 Cb 0.00 0.33 -0.18 0.00 0.10 0.00 0.00 34.13 34.38 1u81 s GLU 41 CO 0.00 -0.11 2.58 -0.89 0.02 0.00 0.00 175.26 176.86 1u81 n ILE 42 N 3.11 -0.01 -2.76 -1.63 5.41 -1.26 -4.81 119.36 117.41 1u81 n ILE 42 Ca -0.16 -0.20 -0.43 0.00 1.00 0.00 0.00 62.75 62.97 1u81 n ILE 42 Cb 0.56 -1.08 -0.03 0.00 -0.71 0.00 0.00 39.64 38.38 1u81 n ILE 42 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1u81 s VAL 43 N 9.52 4.34 -1.17 1.39 1.01 -1.26 -4.92 120.40 129.31 1u81 s VAL 43 Ca 1.25 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1u81 s VAL 43 Cb -1.01 -4.90 0.23 0.00 0.00 0.00 0.00 36.38 30.70 1u81 s VAL 43 CO 0.45 -1.70 1.45 0.41 0.00 0.00 0.00 175.10 175.71 1u81 n THR 44 N 6.14 4.61 -1.62 3.92 -1.04 -1.26 -3.54 114.28 121.49 1u81 n THR 44 Ca 0.27 -5.12 -0.12 0.00 -2.04 0.00 0.00 64.05 57.04 1u81 n THR 44 Cb 0.50 -2.39 0.08 0.00 -1.82 0.00 0.00 70.33 66.70 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 3.04 0.00 -3.92 12.58 -2.24 -1.22 -4.87 114.28 117.65 1u81 n THR 45 Ca 0.31 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 1u81 n THR 45 Cb 0.38 -1.65 -0.14 0.00 -2.10 0.00 0.00 70.33 66.82 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 -1.99 2.49 0.01 2.28 1.01 -1.26 -2.76 121.20 120.98 1u81 s ILE 46 Ca 0.31 -3.31 -0.08 0.00 0.00 0.00 0.00 60.65 57.57 1u81 s ILE 46 Cb -0.01 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1u81 s ILE 46 CO 0.22 -0.82 1.12 -0.65 0.00 0.00 0.00 174.94 174.80 1u81 h PRO 47 N 6.44 -0.26 -5.31 2.79 0.11 -1.88 -3.43 132.00 130.46 1u81 h PRO 47 Ca -0.06 0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.47 1u81 h PRO 47 Cb 0.89 0.06 -0.12 0.00 0.11 0.00 0.00 31.00 31.93 1u81 h PRO 47 CO 0.67 -0.17 -0.41 0.95 -0.21 0.00 0.00 178.00 178.83 1u81 s THR 48 N -3.60 5.34 -0.05 -1.15 -4.23 -1.22 -4.88 115.64 105.84 1u81 s THR 48 Ca -0.04 0.36 -0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1u81 s THR 48 Cb 0.00 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 1u81 s THR 48 CO 0.12 0.38 0.40 -0.38 -0.54 0.00 0.00 174.62 174.60 1u81 n ILE 49 N 3.84 0.00 0.00 2.99 -0.00 -1.26 -0.31 119.36 124.62 1u81 n ILE 49 Ca -0.14 -0.17 0.00 0.00 -0.00 0.00 0.00 62.75 62.44 1u81 n ILE 49 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 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 1.60 3.03 3.66 7.39 0.00 -1.26 -4.92 105.19 114.68 1u81 n GLY 50 Ca 0.03 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 2.35 0.03 1.61 5.36 0.58 -4.97 117.98 122.94 1u81 s PHE 51 Ca 0.00 0.57 -0.20 0.00 -0.96 0.00 0.00 56.93 56.34 1u81 s PHE 51 Cb 0.00 -3.76 -0.06 0.00 -0.34 0.00 0.00 43.02 38.86 1u81 s PHE 51 CO 0.00 -2.84 0.59 -0.80 -1.46 0.00 0.00 175.22 170.71 1u81 s ASN 52 N 2.88 7.02 -0.04 6.13 -0.87 -1.26 -3.25 114.94 125.55 1u81 s ASN 52 Ca 0.65 1.21 0.03 0.00 -1.57 0.00 0.00 52.86 53.18 1u81 s ASN 52 Cb -0.27 -2.37 0.01 0.00 -0.02 0.00 0.00 41.25 38.60 1u81 s ASN 52 CO 0.23 0.17 -0.11 -0.69 -2.57 0.00 0.00 177.10 174.14 1u81 s VAL 53 N -0.57 0.96 -1.10 1.60 1.01 -1.11 -4.63 120.40 116.56 1u81 s VAL 53 Ca 0.30 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1u81 s VAL 53 Cb -0.19 -0.86 0.28 0.00 0.00 0.00 0.00 36.38 35.61 1u81 s VAL 53 CO 0.18 0.30 1.10 -0.62 0.00 0.00 0.00 175.10 176.07 1u81 n GLU 54 N 3.47 3.51 -0.78 2.72 1.02 -1.14 -3.44 120.64 125.99 1u81 n GLU 54 Ca -0.20 -4.47 -0.39 0.00 -0.02 0.00 0.00 57.16 52.09 1u81 n GLU 54 Cb 0.53 -2.54 -0.11 0.00 -0.02 0.00 0.00 31.44 29.30 1u81 n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1u81 n THR 55 N 2.59 0.16 -1.06 2.62 -1.04 -1.23 -2.49 114.28 113.82 1u81 n THR 55 Ca 0.24 -0.15 -0.27 0.00 -2.04 0.00 0.00 64.05 61.83 1u81 n THR 55 Cb 0.39 -2.02 -0.06 0.00 -1.82 0.00 0.00 70.33 66.81 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 7.35 3.43 -4.04 12.58 0.31 -0.52 -4.75 118.33 132.69 1u81 n VAL 56 Ca 0.46 -1.97 -0.33 0.00 -0.01 0.00 0.00 64.34 62.48 1u81 n VAL 56 Cb 0.43 -2.32 -0.15 0.00 -0.91 0.00 0.00 33.84 30.89 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 2.16 2.81 -0.28 5.55 2.02 -1.26 -0.01 118.70 129.69 1u81 s GLU 57 Ca 0.60 -0.97 -0.20 0.00 0.02 0.00 0.00 54.97 54.42 1u81 s GLU 57 Cb 0.19 -2.81 0.12 0.00 0.10 0.00 0.00 34.13 31.73 1u81 s GLU 57 CO -0.04 -0.35 0.92 -0.47 0.02 0.00 0.00 175.26 175.34 1u81 s TYR 58 N 1.28 -0.65 0.00 1.61 5.04 -0.58 -4.96 117.35 119.08 1u81 s TYR 58 Ca 0.01 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 1u81 s TYR 58 Cb -0.16 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.55 1u81 s TYR 58 CO -0.08 -0.32 0.00 1.63 -1.34 0.00 0.00 175.55 175.44 1u81 n LYS 59 N 3.24 0.00 0.09 4.97 5.02 -1.26 -3.42 118.16 126.80 1u81 n LYS 59 Ca -0.16 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.08 1u81 n LYS 59 Cb 0.57 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.70 1u81 n LYS 59 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1u81 h ASN 60 N 9.45 0.26 -3.28 4.39 -1.07 -2.00 -3.41 115.58 119.91 1u81 h ASN 60 Ca 0.00 -0.15 -0.56 0.00 0.07 0.00 0.00 56.30 55.65 1u81 h ASN 60 Cb 0.00 -0.08 -0.04 0.00 -2.07 0.00 0.00 38.32 36.13 1u81 h ASN 60 CO 0.00 0.81 -0.10 -0.63 0.07 0.00 0.00 177.43 177.58 1u81 s ILE 61 N -3.74 4.87 -0.22 6.14 1.01 -1.22 -0.21 121.20 127.83 1u81 s ILE 61 Ca -0.04 0.84 -0.04 0.00 0.00 0.00 0.00 60.65 61.42 1u81 s ILE 61 Cb 0.12 -3.74 0.11 0.00 0.01 0.00 0.00 42.46 38.96 1u81 s ILE 61 CO 0.80 0.29 0.34 -0.44 0.00 0.00 0.00 174.94 175.94 1u81 s SER 62 N -1.63 0.39 -0.26 3.58 0.01 -0.67 -1.53 113.70 113.59 1u81 s SER 62 Ca 0.36 0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.92 1u81 s SER 62 Cb -0.15 0.98 0.06 0.00 0.21 0.00 0.00 66.02 67.12 1u81 s SER 62 CO 0.19 -0.29 -0.08 -0.36 0.41 0.00 0.00 173.24 173.10 1u81 s PHE 63 N 2.50 3.15 -1.13 2.43 0.08 0.99 -2.35 117.98 123.66 1u81 s PHE 63 Ca 0.09 -2.29 -0.20 0.00 0.12 0.00 0.00 56.93 54.65 1u81 s PHE 63 Cb -0.15 -1.96 0.07 0.00 -0.57 0.00 0.00 43.02 40.41 1u81 s PHE 63 CO -0.14 -0.87 1.53 0.99 -0.10 0.00 0.00 175.22 176.63 1u81 s THR 64 N 1.14 4.11 0.81 0.64 2.01 -1.26 -1.44 115.64 121.64 1u81 s THR 64 Ca -0.06 -1.34 -0.11 0.00 0.31 0.00 0.00 61.69 60.48 1u81 s THR 64 Cb -0.20 -5.08 0.08 0.00 0.01 0.00 0.00 72.50 67.31 1u81 s THR 64 CO -0.06 -1.93 1.10 -0.69 -0.69 0.00 0.00 174.62 172.35 1u81 s VAL 65 N 4.37 3.02 0.00 3.82 1.01 -1.04 -4.52 120.40 127.06 1u81 s VAL 65 Ca 0.48 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1u81 s VAL 65 Cb 0.01 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1u81 s VAL 65 CO -0.03 -0.43 0.00 -2.67 0.00 0.00 0.00 175.10 171.97 1u81 n TRP 66 N -3.50 0.00 -4.29 5.22 2.14 -1.26 -2.91 117.44 112.85 1u81 n TRP 66 Ca 0.07 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.35 1u81 n TRP 66 Cb 0.56 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 31.03 1u81 n TRP 66 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1u81 n ASP 67 N 0.00 3.08 -4.96 -0.67 8.00 -1.26 -4.52 116.55 116.22 1u81 n ASP 67 Ca 0.00 -3.08 -0.23 0.00 0.71 0.00 0.00 54.79 52.20 1u81 n ASP 67 Cb 0.00 0.14 0.03 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.81 3.13 0.00 2.53 -7.23 -1.25 -4.96 120.40 109.81 1u81 s VAL 68 Ca 0.17 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1u81 s VAL 68 Cb -0.01 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.73 1u81 s VAL 68 CO 0.11 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1u81 n GLY 69 N -2.35 -0.86 5.42 2.32 0.00 -1.26 -5.02 105.19 103.44 1u81 n GLY 69 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 1.08 0.00 -0.02 0.00 -1.26 -2.72 105.19 102.27 1u81 n GLY 70 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.79 1.69 5.75 -1.10 -3.42 116.55 114.89 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 3.68 -3.47 0.11 4.81 -1.26 -4.73 118.16 117.31 1u81 n LYS 73 Ca 0.00 -3.41 -0.30 0.00 -0.87 0.00 0.00 58.31 53.73 1u81 n LYS 73 Cb 0.00 -2.92 0.02 0.00 0.02 0.00 0.00 35.03 32.16 1u81 n LYS 73 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1u81 n ILE 74 N 3.27 -5.05 -3.75 3.15 3.06 -1.22 -5.02 119.36 113.80 1u81 n ILE 74 Ca 0.44 0.15 -0.21 0.00 -2.50 0.00 0.00 62.75 60.64 1u81 n ILE 74 Cb 0.35 -4.07 -0.18 0.00 0.54 0.00 0.00 39.64 36.28 1u81 n ILE 74 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1u81 s ARG 75 N -3.07 0.24 0.00 9.51 6.06 -1.23 -5.03 118.95 125.43 1u81 s ARG 75 Ca 0.26 0.23 0.00 0.00 -2.50 0.00 0.00 55.73 53.72 1u81 s ARG 75 Cb -0.03 -0.68 0.00 0.00 0.06 0.00 0.00 34.95 34.30 1u81 s ARG 75 CO 0.86 -0.29 0.18 -2.30 -2.50 0.00 0.00 175.30 171.26 1u81 n PRO 76 N 5.04 0.34 0.02 5.12 -0.02 -1.26 -3.77 135.00 140.47 1u81 n PRO 76 Ca -0.09 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.23 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 0.62 0.80 -0.71 2.45 -0.00 -1.96 -3.24 115.31 113.28 1u81 h LEU 77 Ca 0.00 -0.56 0.15 0.00 -0.00 0.00 0.00 57.88 57.47 1u81 h LEU 77 Cb 0.16 -0.24 -0.11 0.00 -0.00 0.00 0.00 40.66 40.47 1u81 h LEU 77 CO 0.00 1.35 0.14 -0.50 -0.00 0.00 0.00 178.44 179.44 1u81 h TRP 78 N 0.42 0.22 -0.23 0.17 4.06 -1.95 -0.93 115.95 117.70 1u81 h TRP 78 Ca -0.07 0.04 0.02 0.00 2.06 0.00 0.00 58.89 60.94 1u81 h TRP 78 Cb 1.48 0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 29.63 1u81 h TRP 78 CO 0.08 -0.10 0.09 0.00 -3.56 0.00 0.00 178.44 174.95 1u81 h ARG 79 N 0.24 0.19 -0.04 0.49 -0.00 -1.86 -0.01 114.38 113.39 1u81 h ARG 79 Ca 0.40 -0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.88 1u81 h ARG 79 Cb 0.67 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.60 1u81 h ARG 79 CO -0.51 0.13 0.09 0.45 0.00 0.00 0.00 179.97 180.12 1u81 h HIS 80 N 0.20 0.00 0.10 3.04 3.86 -1.25 0.44 115.15 121.54 1u81 h HIS 80 Ca 0.10 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.16 1u81 h HIS 80 Cb 0.05 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.54 1u81 h HIS 80 CO -0.11 0.00 -0.64 1.88 0.86 0.00 0.00 177.93 179.91 1u81 h TYR 81 N 0.00 0.46 -0.38 2.45 0.05 -0.42 -3.36 116.97 115.78 1u81 h TYR 81 Ca 0.02 -0.32 -0.12 0.00 0.05 0.00 0.00 58.73 58.36 1u81 h TYR 81 Cb 0.20 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 1u81 h TYR 81 CO 0.00 1.23 -0.23 0.74 -1.05 0.00 0.00 178.16 178.85 1u81 h PHE 82 N -0.43 0.96 0.00 4.88 0.04 -0.06 -3.28 116.94 119.06 1u81 h PHE 82 Ca -0.11 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.41 1u81 h PHE 82 Cb 1.48 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1u81 h PHE 82 CO 0.20 1.02 0.17 1.04 -0.60 0.00 0.00 178.31 180.14 1u81 n GLN 83 N -4.22 0.04 -0.30 1.51 6.02 0.14 -1.68 117.38 118.89 1u81 n GLN 83 Ca -0.02 0.44 0.02 0.00 -0.01 0.00 0.00 57.00 57.43 1u81 n GLN 83 Cb 0.45 -1.79 0.02 0.00 1.02 0.00 0.00 30.24 29.93 1u81 n GLN 83 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1u81 n ASN 84 N -1.63 0.49 -4.90 1.08 6.94 -1.24 -5.08 115.26 110.93 1u81 n ASN 84 Ca -0.00 -1.96 -0.29 0.00 -0.02 0.00 0.00 54.58 52.30 1u81 n ASN 84 Cb 0.18 -0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 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 -0.52 4.96 0.00 5.53 2.01 -0.68 -4.83 115.64 122.11 1u81 s THR 85 Ca 0.05 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1u81 s THR 85 Cb 0.04 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1u81 s THR 85 CO 0.00 -0.42 0.00 0.00 -0.69 0.00 0.00 174.62 173.51 1u81 n GLN 86 N -1.17 1.42 -0.05 4.92 1.13 -0.85 -4.93 117.38 117.85 1u81 n GLN 86 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1u81 n GLN 86 Cb 0.54 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 29.95 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 3.02 -0.39 0.00 1.08 0.00 0.24 -4.09 105.19 105.04 1u81 n GLY 87 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.94 0.99 7.94 -1.23 -4.25 117.00 116.52 1u81 n LEU 88 Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 1u81 n LEU 88 Cb 0.00 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.78 1u81 n LEU 88 CO 0.00 0.00 -0.45 -0.63 -1.11 0.00 0.00 177.39 175.20 1u81 s ILE 89 N 0.00 1.11 -0.34 1.96 1.01 -0.86 0.14 121.20 124.23 1u81 s ILE 89 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 1u81 s ILE 89 Cb 0.00 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1u81 s ILE 89 CO 0.00 0.38 0.14 0.12 0.00 0.00 0.00 174.94 175.58 1u81 s PHE 90 N 1.54 3.22 -0.46 3.97 5.36 0.34 0.83 117.98 132.78 1u81 s PHE 90 Ca 0.02 -1.10 -0.16 0.00 -0.96 0.00 0.00 56.93 54.73 1u81 s PHE 90 Cb -0.13 -2.33 0.05 0.00 -0.34 0.00 0.00 43.02 40.27 1u81 s PHE 90 CO -0.07 -0.65 0.42 0.08 -1.46 0.00 0.00 175.22 173.54 1u81 s VAL 91 N 1.49 5.16 -0.52 3.12 1.01 -0.35 0.13 120.40 130.45 1u81 s VAL 91 Ca 0.01 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1u81 s VAL 91 Cb -0.19 -4.11 0.13 0.00 0.00 0.00 0.00 36.38 32.22 1u81 s VAL 91 CO 0.04 -0.54 0.39 -0.69 0.00 0.00 0.00 175.10 174.30 1u81 s VAL 92 N 1.87 4.21 -0.95 2.92 1.01 0.25 -4.27 120.40 125.44 1u81 s VAL 92 Ca 0.07 -2.03 -0.13 0.00 0.00 0.00 0.00 61.98 59.88 1u81 s VAL 92 Cb -0.22 -3.76 -0.29 0.00 0.00 0.00 0.00 36.38 32.11 1u81 s VAL 92 CO 0.09 -0.81 2.23 -0.67 0.00 0.00 0.00 175.10 175.94 1u81 n ASP 93 N 4.60 -0.71 0.17 3.32 -0.08 -1.26 -3.90 116.55 118.69 1u81 n ASP 93 Ca -0.03 -0.73 0.19 0.00 -1.51 0.00 0.00 54.79 52.71 1u81 n ASP 93 Cb 0.41 -0.79 0.79 0.00 2.34 0.00 0.00 41.12 43.87 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 11.46 0.00 0.00 1.67 0.02 -1.24 -2.81 113.55 122.65 1u81 h SER 94 Ca 0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1u81 h SER 94 Cb 1.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1u81 h SER 94 CO 1.49 0.00 -0.42 -1.13 -1.14 0.00 0.00 176.83 175.62 1u81 h ASN 95 N 0.00 0.00 -0.02 3.07 -1.24 -1.74 -3.39 115.58 112.26 1u81 h ASN 95 Ca 0.13 -0.66 -0.02 0.00 0.71 0.00 0.00 56.30 56.46 1u81 h ASN 95 Cb 0.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.90 1u81 h ASN 95 CO -0.00 1.07 0.70 -0.67 -1.29 0.00 0.00 177.43 177.24 1u81 n ASP 96 N -4.58 -0.92 -0.71 1.15 -0.08 -1.06 -3.98 116.55 106.38 1u81 n ASP 96 Ca -0.15 -1.68 0.11 0.00 -1.51 0.00 0.00 54.79 51.56 1u81 n ASP 96 Cb 0.47 -0.87 0.34 0.00 2.34 0.00 0.00 41.12 43.40 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 5.54 1.94 -0.06 -0.67 1.85 -1.26 -4.25 116.66 119.75 1u81 n ARG 97 Ca 0.13 -1.40 -0.22 0.00 -1.00 0.00 0.00 57.85 55.36 1u81 n ARG 97 Cb 0.47 -1.44 -0.13 0.00 -1.05 0.00 0.00 32.46 30.32 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 0.63 0.66 -1.01 2.89 4.71 -1.26 -4.32 120.64 122.95 1u81 n GLU 98 Ca 0.17 0.39 -0.13 0.00 -0.01 0.00 0.00 57.16 57.58 1u81 n GLU 98 Cb 0.41 -1.70 0.22 0.00 -1.01 0.00 0.00 31.44 29.36 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 -3.92 2.81 0.07 3.49 1.74 -1.26 -4.46 116.66 115.14 1u81 n ARG 99 Ca -0.34 -2.71 0.17 0.00 -0.77 0.00 0.00 57.85 54.20 1u81 n ARG 99 Cb 0.88 -2.09 0.40 0.00 -1.02 0.00 0.00 32.46 30.64 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 1.67 0.06 -0.01 1.55 3.04 -1.78 0.36 116.25 121.13 1u81 h VAL 100 Ca 0.40 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.08 1u81 h VAL 100 Cb 2.42 0.19 -0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1u81 h VAL 100 CO 0.82 0.00 -0.02 -0.55 -1.01 0.00 0.00 177.57 176.81 1u81 h ASN 101 N 0.00 0.04 -1.04 3.17 -1.07 -1.95 -1.97 115.58 112.76 1u81 h ASN 101 Ca 0.23 -0.55 0.27 0.00 0.07 0.00 0.00 56.30 56.33 1u81 h ASN 101 Cb 2.07 -0.01 -0.11 0.00 -2.07 0.00 0.00 38.32 38.19 1u81 h ASN 101 CO -0.00 0.58 0.65 -0.08 0.07 0.00 0.00 177.43 178.65 1u81 h GLU 102 N -0.50 0.42 0.33 4.14 4.81 -0.65 -1.17 114.58 121.97 1u81 h GLU 102 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1u81 h GLU 102 Cb 0.57 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1u81 h GLU 102 CO 0.00 0.28 -0.16 0.00 -0.73 0.00 0.00 179.01 178.41 1u81 h ALA 103 N 1.68 -0.44 -1.36 2.92 0.00 -1.48 -2.70 119.26 117.88 1u81 h ALA 103 Ca 0.64 -0.15 0.45 0.00 0.00 0.00 0.00 54.91 55.85 1u81 h ALA 103 Cb 1.49 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 19.33 1u81 h ALA 103 CO -0.39 -0.45 0.89 -2.13 0.00 0.00 0.00 179.25 177.17 1u81 n ARG 104 N -5.07 -0.03 -0.05 0.00 0.63 -0.54 -0.18 116.66 111.41 1u81 n ARG 104 Ca -0.07 1.13 -0.13 0.00 -0.92 0.00 0.00 57.85 57.86 1u81 n ARG 104 Cb 0.23 -2.28 -0.12 0.00 0.45 0.00 0.00 32.46 30.74 1u81 n ARG 104 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1u81 h GLU 105 N 0.00 -0.01 -0.26 -0.14 4.39 -1.26 -3.28 114.58 114.02 1u81 h GLU 105 Ca 0.82 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.47 1u81 h GLU 105 Cb 2.75 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 31.39 1u81 h GLU 105 CO -0.36 0.81 -0.08 0.93 -1.16 0.00 0.00 179.01 179.14 1u81 h GLU 106 N -0.87 0.41 -0.15 2.33 4.39 -0.38 -2.53 114.58 117.79 1u81 h GLU 106 Ca -0.00 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1u81 h GLU 106 Cb 0.82 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1u81 h GLU 106 CO 0.00 0.50 0.08 1.25 -1.16 0.00 0.00 179.01 179.69 1u81 h LEU 107 N 0.39 0.17 -0.81 1.33 5.85 -0.68 -3.15 115.31 118.41 1u81 h LEU 107 Ca 0.08 -0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.00 1u81 h LEU 107 Cb 0.38 -0.04 -0.15 0.00 0.37 0.00 0.00 40.66 41.22 1u81 h LEU 107 CO 0.02 0.13 -0.03 0.23 -0.34 0.00 0.00 178.44 178.45 1u81 n MET 108 N -4.50 -0.07 -0.07 1.25 2.81 -0.95 -1.40 117.12 114.19 1u81 n MET 108 Ca -0.01 1.22 -0.13 0.00 -1.81 0.00 0.00 57.70 56.98 1u81 n MET 108 Cb 0.09 -1.92 -0.12 0.00 -0.71 0.00 0.00 33.22 30.57 1u81 n MET 108 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u81 h ARG 109 N 0.00 0.00 0.00 0.03 -0.00 -1.77 -3.30 114.38 109.34 1u81 h ARG 109 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.95 1u81 h ARG 109 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.88 1u81 h ARG 109 CO -0.78 0.89 0.00 -1.33 0.00 0.00 0.00 179.97 178.75 1u81 n MET 110 N -4.62 0.00 0.00 0.04 2.81 -0.49 -3.13 117.12 111.73 1u81 n MET 110 Ca -0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1u81 n MET 110 Cb 0.44 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 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 -0.40 1.64 -0.06 4.03 4.77 -0.97 -4.68 117.00 121.34 1u81 n LEU 111 Ca 0.00 0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.92 1u81 n LEU 111 Cb 0.00 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1u81 n LEU 111 CO 0.00 -0.13 0.38 0.00 -1.33 0.00 0.00 177.39 176.31 1u81 h ALA 112 N -2.00 0.42 0.00 -1.18 0.00 -1.78 -3.47 119.26 111.25 1u81 h ALA 112 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1u81 h ALA 112 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1u81 h ALA 112 CO 0.00 0.68 0.00 0.39 0.00 0.00 0.00 179.25 180.32 1u81 n GLU 113 N -3.98 0.00 0.06 0.00 -0.58 -1.18 -4.85 120.64 110.10 1u81 n GLU 113 Ca -0.05 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.49 1u81 n GLU 113 Cb 0.66 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.43 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 0.00 0.86 -0.47 1.62 5.19 -1.94 -3.34 116.42 118.34 1u81 h ASP 114 Ca 0.00 -0.72 0.14 0.00 -0.62 0.00 0.00 57.03 55.83 1u81 h ASP 114 Cb 0.00 -0.27 -0.09 0.00 0.18 0.00 0.00 39.33 39.16 1u81 h ASP 114 CO 0.00 1.52 0.06 -0.62 -3.12 0.00 0.00 179.24 177.08 1u81 n GLU 115 N -3.82 -0.04 -3.55 3.56 -0.58 -1.26 -1.65 120.64 113.31 1u81 n GLU 115 Ca -0.11 0.69 -0.31 0.00 -0.42 0.00 0.00 57.16 57.01 1u81 n GLU 115 Cb 0.91 -1.13 -0.08 0.00 -0.57 0.00 0.00 31.44 30.57 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 -4.43 3.94 0.00 -4.62 4.77 -1.25 -4.82 117.00 110.59 1u81 n LEU 116 Ca 0.13 -5.30 0.00 0.00 -0.03 0.00 0.00 56.01 50.80 1u81 n LEU 116 Cb 0.41 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1u81 n LEU 116 CO -0.03 1.84 0.07 0.54 -1.33 0.00 0.00 177.39 178.48 1u81 n ARG 117 N 1.47 0.00 -0.15 3.23 5.12 -0.66 -4.50 116.66 121.18 1u81 n ARG 117 Ca 0.25 0.36 -0.11 0.00 -1.93 0.00 0.00 57.85 56.42 1u81 n ARG 117 Cb 0.38 -0.94 -0.01 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 0.93 0.00 0.55 2.03 -1.92 -3.44 116.42 114.57 1u81 h ASP 118 Ca 0.00 -0.39 -0.43 0.00 -0.73 0.00 0.00 57.03 55.48 1u81 h ASP 118 Cb 0.00 -0.25 -0.03 0.00 -0.83 0.00 0.00 39.33 38.22 1u81 h ASP 118 CO 0.00 1.10 0.78 0.00 -1.03 0.00 0.00 179.24 180.10 1u81 n ALA 119 N -2.49 0.13 -2.23 4.15 0.00 -1.26 -4.77 120.51 114.04 1u81 n ALA 119 Ca -0.00 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 1u81 n ALA 119 Cb 0.42 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 1u81 n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u81 s VAL 120 N 3.62 3.95 -0.02 0.00 1.01 -1.26 -4.86 120.40 122.84 1u81 s VAL 120 Ca 0.70 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 1u81 s VAL 120 Cb -0.85 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 1u81 s VAL 120 CO 0.37 -0.12 1.32 -0.22 0.00 0.00 0.00 175.10 176.45 1u81 s LEU 121 N 3.83 4.31 -0.56 3.92 2.96 -1.20 -3.50 118.68 128.43 1u81 s LEU 121 Ca 0.63 2.00 -0.08 0.00 -0.22 0.00 0.00 54.13 56.47 1u81 s LEU 121 Cb -0.27 -3.56 0.15 0.00 0.50 0.00 0.00 46.19 43.01 1u81 s LEU 121 CO 0.22 -0.66 0.43 -0.22 -1.32 0.00 0.00 176.35 174.80 1u81 s LEU 122 N 2.25 5.72 -1.01 -0.68 2.96 0.36 -2.08 118.68 126.20 1u81 s LEU 122 Ca 0.61 -2.28 -0.22 0.00 -0.22 0.00 0.00 54.13 52.02 1u81 s LEU 122 Cb -0.29 -1.99 0.07 0.00 0.50 0.00 0.00 46.19 44.48 1u81 s LEU 122 CO 0.25 -0.58 1.39 -0.69 -1.32 0.00 0.00 176.35 175.39 1u81 s VAL 123 N 0.80 4.14 -0.71 1.68 1.01 0.12 0.13 120.40 127.56 1u81 s VAL 123 Ca 0.11 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 1u81 s VAL 123 Cb -0.22 -5.00 0.02 0.00 0.00 0.00 0.00 36.38 31.19 1u81 s VAL 123 CO -0.03 -1.84 1.34 -0.36 0.00 0.00 0.00 175.10 174.22 1u81 s PHE 124 N 4.34 2.24 -1.12 5.22 0.08 0.36 -3.46 117.98 125.64 1u81 s PHE 124 Ca 0.43 0.09 -0.05 0.00 0.12 0.00 0.00 56.93 57.52 1u81 s PHE 124 Cb -0.01 -4.56 0.28 0.00 -0.57 0.00 0.00 43.02 38.16 1u81 s PHE 124 CO -0.09 -2.07 1.59 0.00 -0.10 0.00 0.00 175.22 174.56 1u81 n ALA 125 N 9.68 5.30 -1.55 5.36 0.00 -1.24 -0.58 120.51 137.48 1u81 n ALA 125 Ca 0.06 -4.70 -0.31 0.00 0.00 0.00 0.00 53.44 48.49 1u81 n ALA 125 Cb 0.49 -2.47 0.05 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.25 5.33 -0.61 0.00 2.47 -1.25 -3.09 114.94 116.54 1u81 s ASN 126 Ca 0.33 1.66 -0.01 0.00 0.42 0.00 0.00 52.86 55.26 1u81 s ASN 126 Cb 0.07 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1u81 s ASN 126 CO 0.08 -1.48 0.16 0.29 -3.72 0.00 0.00 177.10 172.43 1u81 n LYS 127 N -3.05 -1.49 -0.04 0.43 5.02 -1.22 -0.90 118.16 116.92 1u81 n LYS 127 Ca 0.08 0.35 -0.02 0.00 -2.02 0.00 0.00 58.31 56.71 1u81 n LYS 127 Cb 0.53 -4.12 -0.01 0.00 -0.02 0.00 0.00 35.03 31.41 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 -0.37 -0.03 0.00 1.97 -0.00 -1.82 -3.23 115.11 111.63 1u81 h GLN 128 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 1u81 h GLN 128 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.63 1u81 h GLN 128 CO 0.22 0.05 0.00 -0.40 0.00 0.00 0.00 178.83 178.70 1u81 n ASP 129 N -4.79 0.00 -4.70 -0.69 5.75 -1.26 -4.73 116.55 106.13 1u81 n ASP 129 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.35 1u81 n ASP 129 Cb 0.05 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 1u81 n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1u81 s LEU 130 N -1.63 4.33 0.40 -2.12 1.43 -1.24 -4.93 118.68 114.91 1u81 s LEU 130 Ca 0.00 1.98 0.16 0.00 -1.03 0.00 0.00 54.13 55.24 1u81 s LEU 130 Cb 0.00 -3.57 1.03 0.00 0.03 0.00 0.00 46.19 43.68 1u81 s LEU 130 CO 0.00 -0.56 1.83 -0.65 0.23 0.00 0.00 176.35 177.20 1u81 h PRO 131 N 7.21 0.45 0.64 1.29 0.11 -1.92 -2.79 132.00 136.99 1u81 h PRO 131 Ca -0.38 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 1u81 h PRO 131 Cb 1.19 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1u81 h PRO 131 CO 0.85 0.30 -0.31 -0.97 -0.21 0.00 0.00 178.00 177.66 1u81 h ASN 132 N 0.46 -0.73 -0.96 -2.05 -1.24 -1.94 -3.46 115.58 105.67 1u81 h ASN 132 Ca 0.51 0.03 -0.28 0.00 0.71 0.00 0.00 56.30 57.27 1u81 h ASN 132 Cb 1.19 0.19 0.12 0.00 0.73 0.00 0.00 38.32 40.55 1u81 h ASN 132 CO -0.23 -0.41 -1.02 0.00 -1.29 0.00 0.00 177.43 174.48 1u81 n ALA 133 N -2.60 -3.91 -0.94 1.57 0.00 -1.05 -4.80 120.51 108.78 1u81 n ALA 133 Ca -0.11 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 1u81 n ALA 133 Cb 0.34 -0.56 0.12 0.00 0.00 0.00 0.00 19.45 19.35 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 1.28 -0.09 -0.35 0.00 2.81 -1.26 -4.94 117.12 114.56 1u81 n MET 134 Ca -0.01 0.03 -0.29 0.00 -1.81 0.00 0.00 57.70 55.62 1u81 n MET 134 Cb 0.30 -2.09 0.28 0.00 -0.71 0.00 0.00 33.22 31.01 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 -2.12 -2.92 -0.24 7.83 0.23 -1.26 -4.69 115.26 112.09 1u81 n ASN 135 Ca 0.10 -0.51 0.04 0.00 -0.53 0.00 0.00 54.58 53.68 1u81 n ASN 135 Cb 0.52 -1.14 0.15 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 h ALA 136 N -3.17 0.77 0.16 -2.53 0.00 -1.96 -2.82 119.26 109.71 1u81 h ALA 136 Ca -0.54 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1u81 h ALA 136 Cb 1.34 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1u81 h ALA 136 CO 0.39 -0.40 -0.08 0.00 0.00 0.00 0.00 179.25 179.17 1u81 h ALA 137 N 1.64 -0.25 0.00 0.00 0.00 -2.03 -3.27 119.26 115.35 1u81 h ALA 137 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1u81 h ALA 137 Cb 0.66 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1u81 h ALA 137 CO -0.58 -0.23 0.00 -0.85 0.00 0.00 0.00 179.25 177.59 1u81 n GLU 138 N -4.50 0.00 0.18 0.00 0.28 -1.22 -2.68 120.64 112.70 1u81 n GLU 138 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.85 1u81 n GLU 138 Cb 0.09 -0.99 -0.07 0.00 1.43 0.00 0.00 31.44 31.89 1u81 n GLU 138 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1u81 h ILE 139 N 0.00 0.50 -0.09 3.84 1.08 -1.55 -3.21 117.51 118.08 1u81 h ILE 139 Ca 0.00 -0.63 -0.06 0.00 -0.39 0.00 0.00 64.86 63.78 1u81 h ILE 139 Cb 0.00 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1u81 h ILE 139 CO 0.00 0.10 -0.17 0.74 -0.69 0.00 0.00 178.15 178.12 1u81 h THR 140 N -0.92 1.39 0.00 -0.27 2.02 -1.76 -3.34 112.91 110.04 1u81 h THR 140 Ca -0.05 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1u81 h THR 140 Cb 0.54 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1u81 h THR 140 CO 0.08 0.41 0.00 -0.67 0.37 0.00 0.00 175.52 175.72 1u81 n ASP 141 N -4.56 0.00 0.10 4.18 2.03 -1.26 -1.90 116.55 115.15 1u81 n ASP 141 Ca -0.07 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1u81 n ASP 141 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.23 0.01 0.10 -0.67 4.76 -1.21 0.22 118.16 121.13 1u81 n LYS 142 Ca 0.00 0.30 0.05 0.00 -2.87 0.00 0.00 58.31 55.78 1u81 n LYS 142 Cb 0.00 -1.70 -0.01 0.00 -1.84 0.00 0.00 35.03 31.49 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 -1.49 -3.48 115.31 113.37 1u81 h LEU 143 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u81 h LEU 143 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1u81 h LEU 143 CO 0.00 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1u81 n GLY 144 N 1.27 0.89 1.12 0.83 0.00 0.58 -4.89 105.19 104.99 1u81 n GLY 144 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 3.27 -0.07 0.99 4.77 -1.24 -2.85 117.00 121.88 1u81 n LEU 145 Ca 0.00 -1.64 -0.15 0.00 -0.03 0.00 0.00 56.01 54.19 1u81 n LEU 145 Cb 0.00 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 1u81 n LEU 145 CO 0.00 0.68 -1.00 1.57 -1.33 0.00 0.00 177.39 177.31 1u81 n HIS 146 N 0.95 0.53 -0.07 -1.77 -0.00 -1.26 -4.67 115.22 108.93 1u81 n HIS 146 Ca 0.19 0.14 -0.10 0.00 0.46 0.00 0.00 57.72 58.41 1u81 n HIS 146 Cb 0.57 -1.08 -0.07 0.00 -0.12 0.00 0.00 29.99 29.30 1u81 n HIS 146 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1u81 n SER 147 N -3.16 2.90 -4.60 0.26 3.41 -1.26 -4.94 113.62 106.24 1u81 n SER 147 Ca -0.34 -0.08 -0.43 0.00 -0.26 0.00 0.00 58.87 57.77 1u81 n SER 147 Cb 1.06 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 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 -5.82 3.46 0.00 1.04 1.43 -1.13 -4.93 118.68 112.72 1u81 s LEU 148 Ca -0.19 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1u81 s LEU 148 Cb 0.05 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1u81 s LEU 148 CO 0.33 -1.89 0.00 0.54 0.23 0.00 0.00 176.35 175.56 1u81 n ARG 149 N 8.66 3.58 0.00 1.70 5.12 -1.26 -4.81 116.66 129.65 1u81 n ARG 149 Ca 0.28 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 1u81 n ARG 149 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 1u81 n ARG 149 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1u81 n HIS 150 N 0.00 0.00 -2.24 -1.55 8.25 -1.26 -4.91 115.22 113.51 1u81 n HIS 150 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1u81 n HIS 150 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 3.98 0.02 -0.41 3.52 -1.26 -4.94 118.95 119.85 1u81 s ARG 151 Ca 0.00 1.89 -0.30 0.00 -0.13 0.00 0.00 55.73 57.19 1u81 s ARG 151 Cb 0.00 -2.65 -0.07 0.00 -1.56 0.00 0.00 34.95 30.68 1u81 s ARG 151 CO 0.00 -0.40 1.59 1.21 -0.81 0.00 0.00 175.30 176.89 1u81 s ASN 152 N -1.09 6.68 0.31 -2.12 3.84 -1.26 -4.95 114.94 116.35 1u81 s ASN 152 Ca 0.58 2.33 -0.09 0.00 0.21 0.00 0.00 52.86 55.90 1u81 s ASN 152 Cb -0.32 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 37.86 1u81 s ASN 152 CO 0.40 -0.86 0.57 -2.67 -2.79 0.00 0.00 177.10 171.75 1u81 n TRP 153 N 5.94 -1.85 -3.65 0.43 4.27 -1.26 -3.23 117.44 118.09 1u81 n TRP 153 Ca 0.16 -1.66 -0.02 0.00 -3.89 0.00 0.00 57.50 52.09 1u81 n TRP 153 Cb 0.42 0.66 -0.05 0.00 -1.36 0.00 0.00 31.31 30.98 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 -3.39 -0.02 -0.24 -2.67 5.04 -0.88 -4.81 117.35 110.38 1u81 s TYR 154 Ca 0.17 0.04 -0.12 0.00 -2.44 0.00 0.00 57.07 54.71 1u81 s TYR 154 Cb -0.03 0.50 0.08 0.00 0.35 0.00 0.00 41.96 42.86 1u81 s TYR 154 CO 0.12 -0.02 0.58 -1.50 -1.34 0.00 0.00 175.55 173.39 1u81 s ILE 155 N -0.77 -0.19 0.01 3.14 2.07 -1.26 0.11 121.20 124.31 1u81 s ILE 155 Ca 0.09 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.35 1u81 s ILE 155 Cb -0.02 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 1u81 s ILE 155 CO -0.10 0.02 0.02 -1.58 -1.91 0.00 0.00 174.94 171.39 1u81 s GLN 156 N 1.81 0.28 -0.03 3.50 2.00 -1.22 -5.02 119.66 120.97 1u81 s GLN 156 Ca -0.09 -0.39 -0.35 0.00 -2.00 0.00 0.00 55.36 52.54 1u81 s GLN 156 Cb -0.08 0.11 -0.13 0.00 0.80 0.00 0.00 33.01 33.72 1u81 s GLN 156 CO -0.17 -0.05 1.78 0.00 -0.50 0.00 0.00 175.29 176.35 1u81 n ALA 157 N 1.95 0.87 -2.67 1.58 0.00 -1.26 -3.69 120.51 117.29 1u81 n ALA 157 Ca -0.21 0.34 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1u81 n ALA 157 Cb 0.56 -2.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.44 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 3.17 2.79 -0.40 0.00 -4.23 -1.18 -4.06 115.64 111.73 1u81 s THR 158 Ca 0.89 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1u81 s THR 158 Cb -0.72 -2.09 0.12 0.00 1.34 0.00 0.00 72.50 71.14 1u81 s THR 158 CO 0.49 0.57 0.16 0.00 -0.54 0.00 0.00 174.62 175.30 1u81 h ALA 160 N 7.25 0.61 -0.28 0.00 0.00 -1.88 0.78 119.26 125.74 1u81 h ALA 160 Ca -0.06 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1u81 h ALA 160 Cb 0.97 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1u81 h ALA 160 CO 0.52 0.64 -0.43 1.79 0.00 0.00 0.00 179.25 181.78 1u81 h THR 161 N 0.78 0.00 0.06 0.00 1.35 -1.94 -3.04 112.91 110.12 1u81 h THR 161 Ca 0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1u81 h THR 161 Cb 0.86 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1u81 h THR 161 CO 0.08 0.00 -0.03 0.77 -0.25 0.00 0.00 175.52 176.09 1u81 h SER 162 N -0.33 -0.07 0.00 5.36 4.64 -2.01 -3.48 113.55 117.67 1u81 h SER 162 Ca 0.05 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1u81 h SER 162 Cb 0.47 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1u81 h SER 162 CO -0.44 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1u81 n GLY 163 N 0.44 1.25 3.53 -0.77 0.00 0.18 -5.13 105.19 104.69 1u81 n GLY 163 Ca -0.09 0.00 -0.31 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 -0.90 0.00 1.61 2.03 -0.69 -3.10 116.55 115.49 1u81 n ASP 164 Ca 0.00 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1u81 n ASP 164 Cb 0.00 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.08 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 0.86 1.10 0.25 0.27 0.00 -1.26 -0.94 105.19 105.47 1u81 n GLY 165 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 0.74 0.63 0.99 3.38 -1.82 -2.93 115.31 116.30 1u81 h LEU 166 Ca 0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1u81 h LEU 166 Cb 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1u81 h LEU 166 CO 0.00 0.65 -0.39 0.22 0.09 0.00 0.00 178.44 179.01 1u81 h TYR 167 N 0.78 -1.03 -0.93 1.13 5.03 -1.83 -1.37 116.97 118.76 1u81 h TYR 167 Ca 0.20 -0.01 0.20 0.00 2.58 0.00 0.00 58.73 61.70 1u81 h TYR 167 Cb 0.09 0.37 -0.11 0.00 1.55 0.00 0.00 36.73 38.62 1u81 h TYR 167 CO -0.01 -0.58 0.49 0.93 -1.32 0.00 0.00 178.16 177.68 1u81 h GLU 168 N -0.95 0.56 0.57 1.82 3.07 -1.94 -1.72 114.58 116.00 1u81 h GLU 168 Ca -0.08 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 1u81 h GLU 168 Cb 0.76 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1u81 h GLU 168 CO 0.08 0.37 -0.28 0.78 -1.40 0.00 0.00 179.01 178.57 1u81 h GLY 169 N 0.58 -0.80 0.49 -3.84 0.00 -1.34 -1.90 103.07 96.26 1u81 h GLY 169 Ca 0.55 0.30 0.06 0.00 0.00 0.00 0.00 47.33 48.24 1u81 h GLY 169 CO -0.44 -0.29 0.02 1.41 0.00 0.00 0.00 176.54 177.24 1u81 h LEU 170 N -1.05 -0.10 0.17 3.11 3.38 -0.86 -1.33 115.31 118.62 1u81 h LEU 170 Ca -0.08 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1u81 h LEU 170 Cb 0.65 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1u81 h LEU 170 CO 0.13 -0.01 -0.08 -0.78 0.09 0.00 0.00 178.44 177.79 1u81 h ASP 171 N 0.12 -0.19 -0.25 -0.43 3.58 -1.41 -1.69 116.42 116.16 1u81 h ASP 171 Ca 0.17 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.67 1u81 h ASP 171 Cb 0.22 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.25 1u81 h ASP 171 CO -0.26 -0.12 -0.19 -0.25 -2.88 0.00 0.00 179.24 175.55 1u81 h TRP 172 N -0.24 -0.48 0.41 0.28 7.01 -1.02 -1.47 115.95 120.44 1u81 h TRP 172 Ca -0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1u81 h TRP 172 Cb 0.19 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.48 1u81 h TRP 172 CO -0.06 -0.26 -0.40 1.25 -2.79 0.00 0.00 178.44 176.18 1u81 h LEU 173 N -0.18 -1.09 -0.91 0.65 5.85 -1.17 -0.53 115.31 117.93 1u81 h LEU 173 Ca 0.14 0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.07 1u81 h LEU 173 Cb 0.39 0.36 -0.14 0.00 0.37 0.00 0.00 40.66 41.64 1u81 h LEU 173 CO -0.36 -0.53 -0.46 -1.28 -0.34 0.00 0.00 178.44 175.47 1u81 h SER 174 N -0.80 -1.68 0.26 1.25 0.87 -1.02 -0.66 113.55 111.78 1u81 h SER 174 Ca -0.05 0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1u81 h SER 174 Cb 0.69 0.81 -0.01 0.00 -0.44 0.00 0.00 62.40 63.44 1u81 h SER 174 CO -0.04 -0.28 -0.23 0.78 -0.53 0.00 0.00 176.83 176.53 1u81 h ASN 175 N -0.05 -0.60 -0.24 6.23 2.35 -1.13 -2.49 115.58 119.65 1u81 h ASN 175 Ca 0.25 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 56.11 1u81 h ASN 175 Cb 0.53 0.20 -0.06 0.00 0.05 0.00 0.00 38.32 39.04 1u81 h ASN 175 CO -0.91 -0.34 -0.17 1.56 -1.65 0.00 0.00 177.43 175.92 1u81 h GLN 176 N -0.51 -0.15 0.56 0.81 1.08 0.23 0.24 115.11 117.38 1u81 h GLN 176 Ca -0.01 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1u81 h GLN 176 Cb 0.46 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1u81 h GLN 176 CO -0.03 -0.10 -0.38 -0.07 -0.95 0.00 0.00 178.83 177.30 1u81 h LEU 177 N -0.16 -0.97 -1.58 1.46 3.38 -1.13 0.85 115.31 117.16 1u81 h LEU 177 Ca 0.13 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1u81 h LEU 177 Cb 0.36 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1u81 h LEU 177 CO -0.33 -0.57 0.40 -0.09 0.09 0.00 0.00 178.44 177.94 1u81 h ARG 178 N -0.90 0.47 0.20 1.13 2.43 -1.20 -2.43 114.38 114.07 1u81 h ARG 178 Ca -0.07 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.77 1u81 h ARG 178 Cb 0.75 -0.11 0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1u81 h ARG 178 CO 0.04 0.31 -1.30 -0.91 -1.51 0.00 0.00 179.97 176.60 1u81 h ASN 179 N 0.48 0.80 -0.59 -3.80 2.35 0.15 -3.36 115.58 111.62 1u81 h ASN 179 Ca 0.27 -0.89 0.12 0.00 -0.55 0.00 0.00 56.30 55.25 1u81 h ASN 179 Cb 0.44 -0.26 -0.11 0.00 0.05 0.00 0.00 38.32 38.44 1u81 h ASN 179 CO -0.08 1.63 -0.22 1.56 -1.65 0.00 0.00 177.43 178.68 1u81 h GLN 180 N 0.11 -0.07 -0.02 0.81 4.20 0.12 -3.50 115.11 116.76 1u81 h GLN 180 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1u81 h GLN 180 Cb 2.01 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.80 1u81 h GLN 180 CO 0.25 -0.05 0.00 1.63 -0.67 0.00 0.00 178.83 179.99