#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e0s h LYS 3 N 0.00 1.06 0.19 1.61 1.57 -2.02 0.26 116.57 119.23 1e0s h LYS 3 Ca 0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1e0s h LYS 3 Cb 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.07 1e0s h LYS 3 CO 0.00 0.70 -0.09 -0.39 -0.57 0.00 0.00 179.45 179.10 1e0s h VAL 4 N 1.09 0.86 -0.60 0.50 -1.51 -2.03 -1.72 116.25 112.85 1e0s h VAL 4 Ca 0.30 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.56 1e0s h VAL 4 Cb -0.10 0.99 -0.03 0.00 -2.13 0.00 0.00 31.29 30.02 1e0s h VAL 4 CO -0.07 0.05 0.33 -0.07 -1.23 0.00 0.00 177.57 176.57 1e0s h LEU 5 N -0.35 0.74 -0.97 4.19 3.38 -1.93 -1.69 115.31 118.69 1e0s h LEU 5 Ca -0.03 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1e0s h LEU 5 Cb 0.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1e0s h LEU 5 CO 0.04 0.60 0.09 -1.28 0.09 0.00 0.00 178.44 177.98 1e0s h SER 6 N 0.84 0.79 0.14 -0.43 0.87 -0.47 0.34 113.55 115.63 1e0s h SER 6 Ca 0.21 -0.16 -0.23 0.00 -1.23 0.00 0.00 61.79 60.38 1e0s h SER 6 Cb 0.03 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1e0s h SER 6 CO -0.03 0.80 -0.92 0.50 -0.53 0.00 0.00 176.83 176.65 1e0s h LYS 7 N 0.80 0.57 0.08 2.24 3.64 -0.74 -0.44 116.57 122.72 1e0s h LYS 7 Ca 0.17 -0.57 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1e0s h LYS 7 Cb 0.35 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1e0s h LYS 7 CO 0.01 1.19 -0.04 0.82 -2.27 0.00 0.00 179.45 179.15 1e0s h ILE 8 N 0.34 1.15 0.20 2.00 2.04 -1.12 -3.38 117.51 118.75 1e0s h ILE 8 Ca -0.08 -1.39 -0.34 0.00 1.00 0.00 0.00 64.86 64.04 1e0s h ILE 8 Cb 1.55 1.97 0.02 0.00 -0.74 0.00 0.00 36.82 39.62 1e0s h ILE 8 CO 0.17 0.31 -1.66 -0.26 0.00 0.00 0.00 178.15 176.71 1e0s h PHE 9 N -0.81 0.79 0.00 1.37 0.04 -1.07 -3.48 116.94 113.78 1e0s h PHE 9 Ca -0.01 -0.57 0.00 0.00 2.80 0.00 0.00 57.97 60.19 1e0s h PHE 9 Cb 0.60 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1e0s h PHE 9 CO 0.13 1.65 0.00 0.41 -0.60 0.00 0.00 178.31 179.89 1e0s n GLY 10 N 1.82 3.18 1.55 -1.45 0.00 -0.17 -1.91 105.19 108.21 1e0s n GLY 10 Ca -0.23 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.56 1e0s n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1e0s n ASN 11 N 2.38 4.58 -4.77 1.61 3.02 -1.26 -4.79 115.26 116.03 1e0s n ASN 11 Ca 0.00 -3.14 -0.38 0.00 -0.03 0.00 0.00 54.58 51.03 1e0s n ASN 11 Cb 0.00 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 38.50 1e0s n ASN 11 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1e0s s LYS 12 N -2.91 3.92 -0.29 3.52 1.02 -0.80 -4.76 119.74 119.43 1e0s s LYS 12 Ca 0.50 1.94 -0.12 0.00 0.02 0.00 0.00 55.97 58.32 1e0s s LYS 12 Cb 0.40 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1e0s s LYS 12 CO 0.11 -0.46 0.23 -1.21 -0.92 0.00 0.00 175.35 173.10 1e0s s GLU 13 N -2.38 3.87 -0.13 1.68 2.02 -1.26 -4.01 118.70 118.48 1e0s s GLU 13 Ca 0.59 -0.34 -0.13 0.00 0.02 0.00 0.00 54.97 55.11 1e0s s GLU 13 Cb -0.33 -3.69 0.04 0.00 0.10 0.00 0.00 34.13 30.25 1e0s s GLU 13 CO 0.41 -0.25 0.38 0.00 0.02 0.00 0.00 175.26 175.82 1e0s s MET 14 N 1.80 0.46 -0.24 1.61 0.23 -0.93 -4.99 119.30 117.23 1e0s s MET 14 Ca 0.08 0.49 -0.02 0.00 -1.03 0.00 0.00 55.69 55.20 1e0s s MET 14 Cb -0.16 0.22 0.01 0.00 -1.53 0.00 0.00 34.83 33.37 1e0s s MET 14 CO 0.11 -0.06 -0.06 1.03 -2.03 0.00 0.00 175.02 174.01 1e0s s ARG 15 N 0.12 3.04 -0.02 3.16 0.52 -1.26 -1.34 118.95 123.16 1e0s s ARG 15 Ca -0.01 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 1e0s s ARG 15 Cb -0.03 -2.98 -0.00 0.00 0.52 0.00 0.00 34.95 32.46 1e0s s ARG 15 CO 0.01 -0.32 -0.13 0.42 0.02 0.00 0.00 175.30 175.30 1e0s s ILE 16 N 1.38 1.05 -0.14 1.52 1.01 -0.48 -1.74 121.20 123.80 1e0s s ILE 16 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1e0s s ILE 16 Cb -0.16 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1e0s s ILE 16 CO -0.04 0.31 0.08 -0.76 0.00 0.00 0.00 174.94 174.53 1e0s s LEU 17 N -0.04 4.01 -0.28 2.97 1.43 -0.49 -1.66 118.68 124.62 1e0s s LEU 17 Ca -0.00 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1e0s s LEU 17 Cb -0.08 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.23 1e0s s LEU 17 CO 0.00 0.30 -0.07 -0.32 0.23 0.00 0.00 176.35 176.49 1e0s s MET 18 N -0.38 2.06 0.35 1.70 -2.45 -0.45 -0.44 119.30 119.68 1e0s s MET 18 Ca 0.10 -1.47 0.06 0.00 -1.25 0.00 0.00 55.69 53.12 1e0s s MET 18 Cb -0.12 -2.97 -0.07 0.00 1.25 0.00 0.00 34.83 32.93 1e0s s MET 18 CO 0.02 -0.66 0.01 -0.51 1.05 0.00 0.00 175.02 174.93 1e0s s LEU 19 N 1.05 2.50 0.00 4.11 1.43 0.14 -3.37 118.68 124.55 1e0s s LEU 19 Ca -0.04 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 1e0s s LEU 19 Cb -0.20 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1e0s s LEU 19 CO -0.06 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1e0s n GLY 20 N -0.77 2.06 3.62 -3.19 0.00 -1.24 -0.90 105.19 104.76 1e0s n GLY 20 Ca -0.04 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1e0s n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1e0s n LEU 21 N 0.00 2.11 -4.75 0.99 4.77 -1.26 -1.36 117.00 117.50 1e0s n LEU 21 Ca 0.00 0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.85 1e0s n LEU 21 Cb 0.00 -1.42 0.01 0.00 -2.33 0.00 0.00 43.42 39.68 1e0s n LEU 21 CO 0.00 -2.46 1.05 -0.90 -1.33 0.00 0.00 177.39 173.75 1e0s n ASP 22 N -4.43 3.27 0.00 -1.43 5.75 -1.26 -2.38 116.55 116.08 1e0s n ASP 22 Ca 0.10 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 56.02 1e0s n ASP 22 Cb 0.52 -1.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.03 1e0s n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1e0s n ALA 23 N -0.08 0.00 0.20 2.12 0.00 -1.26 -4.91 120.51 116.58 1e0s n ALA 23 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1e0s n ALA 23 Cb 0.40 -0.20 0.42 0.00 0.00 0.00 0.00 19.45 20.08 1e0s n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e0s h ALA 24 N 0.00 1.52 0.00 0.00 0.00 -1.80 -3.47 119.26 115.51 1e0s h ALA 24 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1e0s h ALA 24 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1e0s h ALA 24 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1e0s n GLY 25 N -0.69 1.14 0.05 0.00 0.00 -1.26 -4.29 105.19 100.14 1e0s n GLY 25 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1e0s n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e0s h LYS 26 N 0.00 0.03 -0.69 1.61 1.57 -1.90 -2.16 116.57 115.02 1e0s h LYS 26 Ca 0.00 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1e0s h LYS 26 Cb 0.00 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1e0s h LYS 26 CO 0.00 0.25 0.39 1.15 -0.57 0.00 0.00 179.45 180.67 1e0s h THR 27 N -0.20 0.97 -0.61 -0.16 2.02 -2.00 -2.47 112.91 110.46 1e0s h THR 27 Ca 0.01 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1e0s h THR 27 Cb 0.23 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1e0s h THR 27 CO 0.00 0.13 0.31 0.74 0.37 0.00 0.00 175.52 177.07 1e0s h THR 28 N 0.71 1.21 -0.36 3.16 2.02 -1.93 -1.29 112.91 116.43 1e0s h THR 28 Ca 0.31 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 66.99 1e0s h THR 28 Cb 0.20 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1e0s h THR 28 CO -0.19 0.23 0.10 0.40 0.37 0.00 0.00 175.52 176.44 1e0s h ILE 29 N 0.83 0.87 -0.46 3.11 2.04 -1.09 -0.85 117.51 121.96 1e0s h ILE 29 Ca 0.21 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 1e0s h ILE 29 Cb 0.08 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1e0s h ILE 29 CO -0.03 0.04 0.09 -0.07 0.00 0.00 0.00 178.15 178.19 1e0s h LEU 30 N 0.24 0.72 -1.34 1.44 3.38 -1.00 -2.10 115.31 116.64 1e0s h LEU 30 Ca 0.16 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1e0s h LEU 30 Cb 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1e0s h LEU 30 CO -0.19 0.78 0.46 1.88 0.09 0.00 0.00 178.44 181.46 1e0s h TYR 31 N 0.62 0.83 -0.35 1.13 0.05 -0.98 -1.36 116.97 116.92 1e0s h TYR 31 Ca 0.14 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.81 1e0s h TYR 31 Cb 0.36 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1e0s h TYR 31 CO 0.02 0.50 -0.32 0.87 -1.05 0.00 0.00 178.16 178.18 1e0s h LYS 32 N 0.88 0.77 0.00 4.88 1.79 -0.84 -2.13 116.57 121.92 1e0s h LYS 32 Ca 0.27 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1e0s h LYS 32 Cb -0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1e0s h LYS 32 CO -0.07 0.98 0.00 1.28 -1.08 0.00 0.00 179.45 180.56 1e0s n LEU 33 N -4.07 0.00 -0.37 2.94 4.77 -0.82 -4.87 117.00 114.58 1e0s n LEU 33 Ca -0.01 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.92 1e0s n LEU 33 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1e0s n LEU 33 CO 0.46 0.00 -0.05 0.29 -1.33 0.00 0.00 177.39 176.76 1e0s n LYS 34 N -0.88 -0.59 -2.06 3.23 4.76 -0.80 -4.67 118.16 117.14 1e0s n LYS 34 Ca 0.16 0.55 -0.42 0.00 -2.87 0.00 0.00 58.31 55.73 1e0s n LYS 34 Cb 0.07 -4.27 0.00 0.00 -1.84 0.00 0.00 35.03 28.99 1e0s n LYS 34 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1e0s n LEU 35 N -0.55 6.91 0.09 -0.35 4.77 -0.54 -4.73 117.00 122.61 1e0s n LEU 35 Ca -0.05 -4.48 -0.05 0.00 -0.03 0.00 0.00 56.01 51.40 1e0s n LEU 35 Cb 0.22 -1.54 0.01 0.00 -2.33 0.00 0.00 43.42 39.78 1e0s n LEU 35 CO 0.07 1.36 0.29 1.23 -1.33 0.00 0.00 177.39 179.02 1e0s h GLY 36 N 8.40 0.02 -4.40 -0.72 0.00 -1.89 -3.41 103.07 101.08 1e0s h GLY 36 Ca 0.49 -0.05 -0.59 0.00 0.00 0.00 0.00 47.33 47.19 1e0s h GLY 36 CO 1.72 0.04 -0.32 1.20 0.00 0.00 0.00 176.54 179.18 1e0s s GLN 37 N -3.12 3.62 0.29 4.80 -1.52 -1.26 -5.05 119.66 117.42 1e0s s GLN 37 Ca -0.00 -0.07 -0.15 0.00 -1.95 0.00 0.00 55.36 53.19 1e0s s GLN 37 Cb 0.11 -2.89 0.01 0.00 -0.22 0.00 0.00 33.01 30.02 1e0s s GLN 37 CO 0.80 0.50 0.60 -1.54 -0.25 0.00 0.00 175.29 175.40 1e0s s SER 38 N -2.29 -0.04 -0.13 5.90 1.04 -1.26 -4.81 113.70 112.10 1e0s s SER 38 Ca 0.39 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1e0s s SER 38 Cb -0.12 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1e0s s SER 38 CO 0.23 -1.30 -0.22 -0.69 0.98 0.00 0.00 173.24 172.25 1e0s s VAL 39 N -3.66 2.13 -0.12 5.02 1.01 -0.41 -4.94 120.40 119.43 1e0s s VAL 39 Ca 0.19 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1e0s s VAL 39 Cb -0.03 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1e0s s VAL 39 CO 0.10 0.55 0.37 -0.89 0.00 0.00 0.00 175.10 175.23 1e0s s THR 40 N 0.71 5.23 0.04 3.92 2.01 -1.26 -0.35 115.64 125.95 1e0s s THR 40 Ca -0.09 0.73 0.09 0.00 0.31 0.00 0.00 61.69 62.73 1e0s s THR 40 Cb -0.16 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1e0s s THR 40 CO 0.01 0.40 -0.26 -0.89 -0.69 0.00 0.00 174.62 173.18 1e0s s THR 41 N 0.29 2.09 -0.53 -0.82 2.01 -0.25 -4.98 115.64 113.44 1e0s s THR 41 Ca 0.21 -1.37 0.04 0.00 0.31 0.00 0.00 61.69 60.88 1e0s s THR 41 Cb -0.14 -1.79 0.14 0.00 0.01 0.00 0.00 72.50 70.72 1e0s s THR 41 CO 0.07 0.35 0.32 -0.63 -0.69 0.00 0.00 174.62 174.05 1e0s s ILE 42 N -0.80 2.12 0.23 1.82 1.01 -1.26 -1.02 121.20 123.30 1e0s s ILE 42 Ca 0.11 -3.28 0.30 0.00 0.00 0.00 0.00 60.65 57.79 1e0s s ILE 42 Cb -0.10 -2.45 0.33 0.00 0.01 0.00 0.00 42.46 40.25 1e0s s ILE 42 CO 0.02 -0.92 1.99 -0.65 0.00 0.00 0.00 174.94 175.38 1e0s h PRO 43 N 6.22 0.00 -2.54 2.79 0.11 -1.99 -3.43 132.00 133.16 1e0s h PRO 43 Ca 0.03 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1e0s h PRO 43 Cb 0.87 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.80 1e0s h PRO 43 CO 0.61 0.09 0.03 -0.08 -0.21 0.00 0.00 178.00 178.44 1e0s s THR 44 N -3.82 0.02 -0.07 -1.15 -1.32 -1.26 -5.08 115.64 102.96 1e0s s THR 44 Ca -0.00 -0.20 -0.36 0.00 -1.21 0.00 0.00 61.69 59.91 1e0s s THR 44 Cb 0.11 -0.91 -0.14 0.00 -1.51 0.00 0.00 72.50 70.04 1e0s s THR 44 CO 0.57 -0.11 1.71 0.52 -2.21 0.00 0.00 174.62 175.10 1e0s n VAL 45 N 0.76 0.32 -0.01 5.08 0.31 -1.26 -1.07 118.33 122.46 1e0s n VAL 45 Ca -0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1e0s n VAL 45 Cb 0.58 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1e0s n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1e0s n GLY 46 N 3.90 0.88 3.22 2.92 0.00 -1.26 -5.01 105.19 109.83 1e0s n GLY 46 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1e0s n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1e0s s PHE 47 N -2.30 3.41 -0.23 1.61 5.36 -0.23 -5.07 117.98 120.53 1e0s s PHE 47 Ca 0.00 -1.81 -0.10 0.00 -0.96 0.00 0.00 56.93 54.07 1e0s s PHE 47 Cb 0.00 -3.36 -0.05 0.00 -0.34 0.00 0.00 43.02 39.27 1e0s s PHE 47 CO 0.00 -0.96 0.13 -0.80 -1.46 0.00 0.00 175.22 172.13 1e0s s ASN 48 N 2.52 5.94 -0.15 6.13 0.01 -1.26 -3.59 114.94 124.54 1e0s s ASN 48 Ca 0.05 0.08 -0.01 0.00 -0.71 0.00 0.00 52.86 52.28 1e0s s ASN 48 Cb -0.25 -2.06 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 1e0s s ASN 48 CO -0.00 0.09 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.88 1e0s s VAL 49 N 0.92 3.17 -0.16 1.60 1.01 -0.19 -4.60 120.40 122.15 1e0s s VAL 49 Ca 0.07 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1e0s s VAL 49 Cb -0.13 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1e0s s VAL 49 CO 0.03 0.51 0.06 -1.61 0.00 0.00 0.00 175.10 174.09 1e0s s GLU 50 N 0.51 3.77 -0.14 2.72 0.41 -0.39 -1.09 118.70 124.49 1e0s s GLU 50 Ca -0.08 -0.33 0.01 0.00 -0.41 0.00 0.00 54.97 54.16 1e0s s GLU 50 Cb -0.15 -3.15 -0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1e0s s GLU 50 CO 0.04 0.39 -0.17 0.99 -0.49 0.00 0.00 175.26 176.02 1e0s s THR 51 N 0.03 2.53 -0.13 3.63 2.01 0.53 -0.79 115.64 123.46 1e0s s THR 51 Ca 0.06 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1e0s s THR 51 Cb -0.12 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 1e0s s THR 51 CO 0.01 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.59 1e0s s VAL 52 N 0.68 2.42 -0.13 3.82 1.01 -0.11 -1.28 120.40 126.81 1e0s s VAL 52 Ca -0.08 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1e0s s VAL 52 Cb -0.16 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1e0s s VAL 52 CO 0.02 0.54 0.13 0.42 0.00 0.00 0.00 175.10 176.21 1e0s s THR 53 N 0.55 5.42 -0.24 3.92 -4.23 -1.26 -0.54 115.64 119.26 1e0s s THR 53 Ca -0.12 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1e0s s THR 53 Cb -0.16 -3.37 0.08 0.00 1.34 0.00 0.00 72.50 70.39 1e0s s THR 53 CO 0.04 0.60 0.09 -0.47 -0.54 0.00 0.00 174.62 174.34 1e0s s TYR 54 N -0.89 0.74 0.00 3.99 5.04 -0.12 -5.01 117.35 121.09 1e0s s TYR 54 Ca 0.14 -0.92 0.00 0.00 -2.44 0.00 0.00 57.07 53.85 1e0s s TYR 54 Cb -0.12 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.15 1e0s s TYR 54 CO 0.03 -0.72 0.00 1.63 -1.34 0.00 0.00 175.55 175.16 1e0s n LYS 55 N 5.13 0.00 -0.61 4.97 4.76 -1.26 -1.01 118.16 130.14 1e0s n LYS 55 Ca -0.06 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.47 1e0s n LYS 55 Cb 0.45 0.00 0.36 0.00 -1.84 0.00 0.00 35.03 34.00 1e0s n LYS 55 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1e0s n ASN 56 N 9.12 4.75 -4.79 4.39 3.02 -1.26 -4.91 115.26 125.58 1e0s n ASN 56 Ca 0.00 -2.44 -0.36 0.00 -0.03 0.00 0.00 54.58 51.75 1e0s n ASN 56 Cb 0.00 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 38.52 1e0s n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1e0s s VAL 57 N -1.84 5.11 -0.08 2.41 1.01 -0.18 -2.19 120.40 124.63 1e0s s VAL 57 Ca 0.51 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1e0s s VAL 57 Cb 0.33 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1e0s s VAL 57 CO 0.25 0.59 -0.09 -0.75 0.00 0.00 0.00 175.10 175.09 1e0s s LYS 58 N -0.76 1.54 -0.13 2.72 2.20 -0.45 -0.95 119.74 123.92 1e0s s LYS 58 Ca 0.13 -0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 55.37 1e0s s LYS 58 Cb -0.12 -1.43 -0.04 0.00 -1.51 0.00 0.00 37.83 34.73 1e0s s LYS 58 CO 0.03 -0.11 0.08 -0.06 -0.36 0.00 0.00 175.35 174.93 1e0s s PHE 59 N 1.15 3.38 -0.09 4.03 0.40 0.30 -1.39 117.98 125.77 1e0s s PHE 59 Ca -0.06 0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.60 1e0s s PHE 59 Cb -0.14 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1e0s s PHE 59 CO -0.02 0.51 -0.10 -0.80 0.70 0.00 0.00 175.22 175.51 1e0s s ASN 60 N -0.62 4.32 -0.03 1.36 -0.87 -0.66 -0.94 114.94 117.51 1e0s s ASN 60 Ca 0.12 -0.16 0.02 0.00 -1.57 0.00 0.00 52.86 51.26 1e0s s ASN 60 Cb -0.12 -1.24 0.01 0.00 -0.02 0.00 0.00 41.25 39.89 1e0s s ASN 60 CO 0.02 0.29 -0.06 -0.69 -2.57 0.00 0.00 177.10 174.09 1e0s s VAL 61 N -0.39 0.58 0.10 1.60 1.01 0.03 -1.34 120.40 122.00 1e0s s VAL 61 Ca 0.05 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 1e0s s VAL 61 Cb -0.12 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.78 1e0s s VAL 61 CO 0.02 0.20 0.64 -1.66 0.00 0.00 0.00 175.10 174.30 1e0s s TRP 62 N 0.38 -0.56 0.11 5.22 -2.14 -1.22 -1.26 118.94 119.47 1e0s s TRP 62 Ca -0.05 0.52 -0.30 0.00 2.66 0.00 0.00 56.10 58.93 1e0s s TRP 62 Cb -0.09 0.52 -0.06 0.00 -3.10 0.00 0.00 33.47 30.74 1e0s s TRP 62 CO 0.00 -0.77 1.09 -0.51 -2.66 0.00 0.00 176.95 174.09 1e0s s ASP 63 N -2.35 7.27 0.60 -2.66 1.01 -1.26 -3.72 116.67 115.56 1e0s s ASP 63 Ca -0.02 1.97 -0.01 0.00 0.71 0.00 0.00 52.55 55.20 1e0s s ASP 63 Cb -0.01 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.41 1e0s s ASP 63 CO -0.07 -0.26 0.56 1.33 0.21 0.00 0.00 175.17 176.94 1e0s n VAL 64 N 3.03 0.00 -0.64 -1.27 0.24 -0.46 -4.63 118.33 114.60 1e0s n VAL 64 Ca 0.05 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1e0s n VAL 64 Cb 0.47 -1.14 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 1e0s n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1e0s n GLY 65 N 0.73 0.72 0.00 7.63 0.00 -1.26 -4.24 105.19 108.77 1e0s n GLY 65 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1e0s n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1e0s n GLY 66 N -2.44 -1.12 3.75 -0.02 0.00 -1.26 -4.99 105.19 99.10 1e0s n GLY 66 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1e0s n GLY 66 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1e0s n GLN 67 N -0.96 2.58 -0.29 1.61 6.02 -1.26 -4.90 117.38 120.17 1e0s n GLN 67 Ca 0.00 0.91 0.25 0.00 -0.01 0.00 0.00 57.00 58.15 1e0s n GLN 67 Cb 0.00 -2.64 0.57 0.00 1.02 0.00 0.00 30.24 29.19 1e0s n GLN 67 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1e0s h ASP 68 N 3.83 0.32 0.57 1.08 5.19 -2.03 -1.63 116.42 123.74 1e0s h ASP 68 Ca -0.48 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1e0s h ASP 68 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1e0s h ASP 68 CO 0.72 0.08 0.00 0.07 -3.12 0.00 0.00 179.24 176.98 1e0s h LYS 69 N 0.29 0.00 -0.00 3.56 2.10 -2.05 -2.20 116.57 118.27 1e0s h LYS 69 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 1e0s h LYS 69 Cb 1.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 1e0s h LYS 69 CO -0.20 0.00 -0.53 0.44 -2.00 0.00 0.00 179.45 177.17 1e0s n ILE 70 N -2.46 0.00 -0.17 0.07 -5.35 -0.61 -4.35 119.36 106.49 1e0s n ILE 70 Ca 0.01 -0.04 0.05 0.00 -0.27 0.00 0.00 62.75 62.50 1e0s n ILE 70 Cb 0.19 0.44 0.34 0.00 -1.74 0.00 0.00 39.64 38.87 1e0s n ILE 70 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1e0s h ARG 71 N 0.37 0.76 -0.58 6.28 3.08 -1.52 -2.10 114.38 120.67 1e0s h ARG 71 Ca 0.00 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1e0s h ARG 71 Cb 0.51 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1e0s h ARG 71 CO 0.00 0.50 0.39 -1.35 -1.07 0.00 0.00 179.97 178.44 1e0s h PRO 72 N 0.78 0.64 0.00 0.04 0.11 -1.80 -2.16 132.00 129.61 1e0s h PRO 72 Ca 0.29 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1e0s h PRO 72 Cb 0.16 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1e0s h PRO 72 CO -0.09 0.43 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.99 1e0s h LEU 73 N 0.66 0.00 -0.99 2.35 3.38 -1.67 -3.12 115.31 115.93 1e0s h LEU 73 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1e0s h LEU 73 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1e0s h LEU 73 CO -0.06 0.07 -0.11 -0.50 0.09 0.00 0.00 178.44 177.93 1e0s h TRP 74 N 0.00 0.66 0.00 1.13 6.55 -1.39 -2.92 115.95 119.98 1e0s h TRP 74 Ca -0.00 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.73 1e0s h TRP 74 Cb 0.45 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 1e0s h TRP 74 CO 0.00 0.70 0.00 2.89 -1.05 0.00 0.00 178.44 180.98 1e0s n ARG 75 N -4.19 0.14 0.17 0.49 1.85 -1.18 -2.01 116.66 111.94 1e0s n ARG 75 Ca 0.01 0.19 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 1e0s n ARG 75 Cb 0.33 -1.50 0.60 0.00 -1.05 0.00 0.00 32.46 30.85 1e0s n ARG 75 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1e0s h HIS 76 N 0.00 0.00 -0.27 2.89 3.86 -1.71 -2.51 115.15 117.42 1e0s h HIS 76 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1e0s h HIS 76 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1e0s h HIS 76 CO 0.00 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.45 1e0s n TYR 77 N -2.41 0.34 0.04 2.45 4.01 -0.85 -4.64 117.16 116.10 1e0s n TYR 77 Ca 0.00 -0.23 -0.17 0.00 -0.16 0.00 0.00 57.90 57.34 1e0s n TYR 77 Cb 0.17 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.05 1e0s n TYR 77 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1e0s h TYR 78 N 3.34 0.42 -2.44 -0.72 0.05 -1.61 -3.43 116.97 112.59 1e0s h TYR 78 Ca 0.00 -0.31 -0.53 0.00 0.05 0.00 0.00 58.73 57.94 1e0s h TYR 78 Cb 0.80 -0.02 0.03 0.00 1.01 0.00 0.00 36.73 38.55 1e0s h TYR 78 CO 0.17 1.43 1.14 2.41 -1.05 0.00 0.00 178.16 182.26 1e0s n THR 79 N -3.42 0.48 -0.49 -2.88 -1.04 -1.26 -1.54 114.28 104.13 1e0s n THR 79 Ca -0.20 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1e0s n THR 79 Cb 1.05 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 1e0s n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1e0s n GLY 80 N 4.31 1.46 3.66 3.41 0.00 -1.26 -5.01 105.19 111.77 1e0s n GLY 80 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1e0s n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e0s s THR 81 N -3.29 3.78 -0.06 2.61 2.01 -0.59 -4.64 115.64 115.48 1e0s s THR 81 Ca 0.00 0.95 0.21 0.00 0.31 0.00 0.00 61.69 63.16 1e0s s THR 81 Cb 0.00 -3.61 -0.32 0.00 0.01 0.00 0.00 72.50 68.58 1e0s s THR 81 CO 0.00 -0.08 0.41 0.00 -0.69 0.00 0.00 174.62 174.26 1e0s n GLN 82 N 6.93 0.66 -3.79 4.92 10.64 -0.71 -4.47 117.38 131.57 1e0s n GLN 82 Ca 0.16 -0.17 -0.14 0.00 -1.83 0.00 0.00 57.00 55.02 1e0s n GLN 82 Cb 0.43 -1.51 -0.15 0.00 -0.86 0.00 0.00 30.24 28.15 1e0s n GLN 82 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1e0s s GLY 83 N -4.62 0.04 -0.19 2.61 0.00 -1.17 -2.87 107.32 101.12 1e0s s GLY 83 Ca -0.08 0.35 -0.05 0.00 0.00 0.00 0.00 44.72 44.95 1e0s s GLY 83 CO 0.88 0.63 -0.01 -2.27 0.00 0.00 0.00 173.10 172.33 1e0s s LEU 84 N 0.85 3.23 -0.24 0.66 2.96 -0.63 -1.39 118.68 124.11 1e0s s LEU 84 Ca -0.07 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1e0s s LEU 84 Cb -0.10 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1e0s s LEU 84 CO -0.03 0.08 0.05 -0.63 -1.32 0.00 0.00 176.35 174.50 1e0s s ILE 85 N 0.90 4.15 -0.19 6.68 1.01 0.41 -0.69 121.20 133.46 1e0s s ILE 85 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1e0s s ILE 85 Cb -0.14 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.41 1e0s s ILE 85 CO 0.02 0.36 -0.14 0.12 0.00 0.00 0.00 174.94 175.29 1e0s s PHE 86 N 1.53 2.84 -0.20 3.97 5.36 0.10 -0.68 117.98 130.90 1e0s s PHE 86 Ca 0.06 -1.40 -0.09 0.00 -0.96 0.00 0.00 56.93 54.54 1e0s s PHE 86 Cb -0.15 -1.98 -0.05 0.00 -0.34 0.00 0.00 43.02 40.50 1e0s s PHE 86 CO 0.02 -0.72 0.11 0.08 -1.46 0.00 0.00 175.22 173.26 1e0s s VAL 87 N 1.35 5.17 -0.05 3.12 1.01 -0.08 -0.96 120.40 129.97 1e0s s VAL 87 Ca 0.05 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1e0s s VAL 87 Cb -0.13 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1e0s s VAL 87 CO -0.10 0.44 -0.20 -0.69 0.00 0.00 0.00 175.10 174.56 1e0s s VAL 88 N 0.44 1.62 -0.46 2.92 1.01 -0.44 -4.32 120.40 121.16 1e0s s VAL 88 Ca 0.06 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1e0s s VAL 88 Cb -0.12 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.91 1e0s s VAL 88 CO -0.01 0.46 0.98 -0.62 0.00 0.00 0.00 175.10 175.91 1e0s s ASP 89 N -0.05 6.55 0.21 3.32 -1.08 -1.26 -0.69 116.67 123.67 1e0s s ASP 89 Ca -0.03 0.24 0.25 0.00 -0.52 0.00 0.00 52.55 52.49 1e0s s ASP 89 Cb -0.12 -2.48 0.90 0.00 -1.46 0.00 0.00 42.92 39.77 1e0s s ASP 89 CO 0.02 -1.09 1.74 0.00 0.52 0.00 0.00 175.17 176.37 1e0s n ALA 91 N -1.76 2.76 -3.38 0.00 0.00 -1.26 -1.89 120.51 114.98 1e0s n ALA 91 Ca 0.04 -0.19 -0.44 0.00 0.00 0.00 0.00 53.44 52.85 1e0s n ALA 91 Cb 0.32 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 1e0s n ALA 91 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1e0s s ASP 92 N -3.04 7.12 0.47 0.00 -1.08 -1.03 -4.86 116.67 114.25 1e0s s ASP 92 Ca 0.13 -3.58 0.19 0.00 -0.52 0.00 0.00 52.55 48.77 1e0s s ASP 92 Cb 0.18 -2.17 1.14 0.00 -1.46 0.00 0.00 42.92 40.62 1e0s s ASP 92 CO 0.59 -0.28 2.01 0.03 0.52 0.00 0.00 175.17 178.04 1e0s h ARG 93 N 6.62 0.00 0.00 4.34 3.08 -1.84 -2.67 114.38 123.91 1e0s h ARG 93 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1e0s h ARG 93 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1e0s h ARG 93 CO 0.98 0.18 -0.06 -0.44 -1.07 0.00 0.00 179.97 179.56 1e0s h ASP 94 N 0.00 0.00 -0.30 7.04 3.32 -1.98 -3.19 116.42 121.32 1e0s h ASP 94 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1e0s h ASP 94 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1e0s h ASP 94 CO 0.02 0.06 0.00 0.54 -1.72 0.00 0.00 179.24 178.14 1e0s n ARG 95 N -3.16 2.28 -0.10 3.56 1.74 -1.01 -4.62 116.66 115.35 1e0s n ARG 95 Ca 0.01 -1.91 -0.01 0.00 -0.77 0.00 0.00 57.85 55.18 1e0s n ARG 95 Cb 0.39 -1.30 0.26 0.00 -1.02 0.00 0.00 32.46 30.79 1e0s n ARG 95 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1e0s h ILE 96 N 2.45 1.20 -0.14 0.55 6.09 -1.53 -1.12 117.51 125.01 1e0s h ILE 96 Ca 0.00 -0.63 -0.12 0.00 -1.37 0.00 0.00 64.86 62.75 1e0s h ILE 96 Cb 0.71 0.60 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 1e0s h ILE 96 CO 0.00 0.24 -0.42 -0.78 -3.07 0.00 0.00 178.15 174.12 1e0s h ASP 97 N 0.74 0.33 -0.21 2.19 3.58 -1.82 -0.70 116.42 120.53 1e0s h ASP 97 Ca 0.18 -0.14 -0.16 0.00 0.42 0.00 0.00 57.03 57.32 1e0s h ASP 97 Cb 0.17 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1e0s h ASP 97 CO -0.01 0.72 -0.47 -0.08 -2.88 0.00 0.00 179.24 176.52 1e0s h GLU 98 N 0.26 0.78 -0.82 0.28 4.81 -1.76 -2.32 114.58 115.81 1e0s h GLU 98 Ca 0.02 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 1e0s h GLU 98 Cb 0.86 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 1e0s h GLU 98 CO 0.07 1.07 0.36 0.00 -0.73 0.00 0.00 179.01 179.78 1e0s h ALA 99 N 0.85 1.06 0.28 2.92 0.00 -1.02 -0.96 119.26 122.38 1e0s h ALA 99 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1e0s h ALA 99 Cb 1.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1e0s h ALA 99 CO 0.10 0.65 -0.24 -0.09 0.00 0.00 0.00 179.25 179.67 1e0s h ARG 100 N 1.17 -0.52 -0.93 0.00 2.43 -0.94 -1.45 114.38 114.14 1e0s h ARG 100 Ca 0.28 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1e0s h ARG 100 Cb 0.17 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1e0s h ARG 100 CO -0.03 -0.34 0.61 1.96 -1.51 0.00 0.00 179.97 180.66 1e0s h GLN 101 N -0.54 1.17 -0.38 0.20 4.20 -1.29 -2.10 115.11 116.37 1e0s h GLN 101 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1e0s h GLN 101 Cb 0.48 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1e0s h GLN 101 CO -0.03 0.77 0.21 0.93 -0.67 0.00 0.00 178.83 180.04 1e0s h GLU 102 N 1.20 0.53 -0.35 1.46 4.39 -1.04 -1.93 114.58 118.85 1e0s h GLU 102 Ca 0.36 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 60.03 1e0s h GLU 102 Cb -0.04 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1e0s h GLU 102 CO -0.11 0.43 0.14 1.25 -1.16 0.00 0.00 179.01 179.57 1e0s h LEU 103 N 0.49 0.19 -0.68 1.33 5.85 -0.94 -1.86 115.31 119.69 1e0s h LEU 103 Ca 0.14 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 1e0s h LEU 103 Cb 0.05 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1e0s h LEU 103 CO -0.02 0.14 -0.61 0.45 -0.34 0.00 0.00 178.44 178.06 1e0s h HIS 104 N 0.31 0.23 -0.68 1.25 3.86 -1.36 -1.83 115.15 116.93 1e0s h HIS 104 Ca 0.15 -0.09 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1e0s h HIS 104 Cb 0.10 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.48 1e0s h HIS 104 CO -0.12 0.74 0.40 0.00 0.86 0.00 0.00 177.93 179.81 1e0s h ARG 105 N 0.13 0.74 0.12 2.45 3.08 -0.98 -2.03 114.38 117.90 1e0s h ARG 105 Ca -0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1e0s h ARG 105 Cb 1.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1e0s h ARG 105 CO 0.09 0.49 -0.06 0.82 -1.07 0.00 0.00 179.97 180.24 1e0s h ILE 106 N 0.77 1.06 0.00 2.04 2.04 -0.61 -3.24 117.51 119.56 1e0s h ILE 106 Ca 0.29 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1e0s h ILE 106 Cb 0.11 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1e0s h ILE 106 CO -0.15 0.22 0.00 2.30 0.00 0.00 0.00 178.15 180.52 1e0s n ILE 107 N -4.96 0.75 0.74 -0.67 -5.35 -0.76 -2.37 119.36 106.75 1e0s n ILE 107 Ca -0.09 0.13 0.13 0.00 -0.27 0.00 0.00 62.75 62.65 1e0s n ILE 107 Cb 0.25 -0.95 0.31 0.00 -1.74 0.00 0.00 39.64 37.50 1e0s n ILE 107 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1e0s n ASN 108 N -1.96 0.57 -4.75 7.28 3.02 -0.77 -4.40 115.26 114.26 1e0s n ASN 108 Ca 0.04 0.19 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 1e0s n ASN 108 Cb 0.26 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1e0s n ASN 108 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1e0s n ASP 109 N -1.91 3.33 -0.30 6.41 -0.08 -1.00 -4.89 116.55 118.11 1e0s n ASP 109 Ca 0.05 1.19 0.14 0.00 -1.51 0.00 0.00 54.79 54.66 1e0s n ASP 109 Cb 0.40 -1.57 0.30 0.00 2.34 0.00 0.00 41.12 42.59 1e0s n ASP 109 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1e0s h ARG 110 N 2.63 0.17 -0.01 -0.67 3.08 -1.89 -0.93 114.38 116.76 1e0s h ARG 110 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1e0s h ARG 110 Cb 1.26 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1e0s h ARG 110 CO 0.63 0.11 -0.06 -1.91 -1.07 0.00 0.00 179.97 177.68 1e0s n GLU 111 N -5.25 1.02 -0.22 0.04 4.07 -1.26 -3.59 120.64 115.44 1e0s n GLU 111 Ca 0.22 -0.36 0.06 0.00 -0.06 0.00 0.00 57.16 57.02 1e0s n GLU 111 Cb 0.71 -1.49 0.17 0.00 -0.06 0.00 0.00 31.44 30.77 1e0s n GLU 111 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1e0s n MET 112 N -0.67 2.89 0.27 5.31 2.81 -0.36 -4.69 117.12 122.68 1e0s n MET 112 Ca 0.18 -2.19 0.11 0.00 -1.81 0.00 0.00 57.70 53.99 1e0s n MET 112 Cb 0.25 -1.37 0.74 0.00 -0.71 0.00 0.00 33.22 32.14 1e0s n MET 112 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1e0s h ARG 113 N 1.93 0.00 -0.29 0.03 3.08 -1.61 -3.07 114.38 114.45 1e0s h ARG 113 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1e0s h ARG 113 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1e0s h ARG 113 CO 0.04 0.01 0.00 -0.40 -1.07 0.00 0.00 179.97 178.56 1e0s n ASP 114 N -4.23 2.77 -4.73 7.04 5.68 -1.26 -4.98 116.55 116.83 1e0s n ASP 114 Ca -0.03 -1.96 -0.41 0.00 -0.50 0.00 0.00 54.79 51.89 1e0s n ASP 114 Cb 0.10 -0.20 -0.04 0.00 -1.14 0.00 0.00 41.12 39.85 1e0s n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1e0s s ALA 115 N -0.99 3.35 0.59 2.12 0.00 -1.16 -4.96 121.76 120.72 1e0s s ALA 115 Ca 0.20 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.79 1e0s s ALA 115 Cb 0.11 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1e0s s ALA 115 CO 0.14 -0.20 1.04 0.96 0.00 0.00 0.00 175.76 177.70 1e0s s ILE 116 N -0.09 4.00 -0.23 0.00 -4.36 -1.14 -4.85 121.20 114.53 1e0s s ILE 116 Ca 0.50 0.90 0.01 0.00 -0.26 0.00 0.00 60.65 61.79 1e0s s ILE 116 Cb -0.28 -3.46 0.03 0.00 1.25 0.00 0.00 42.46 40.00 1e0s s ILE 116 CO 0.34 -0.61 -0.12 -0.63 0.24 0.00 0.00 174.94 174.16 1e0s s ILE 117 N -2.59 2.41 -0.22 8.37 1.01 -0.98 -1.60 121.20 127.59 1e0s s ILE 117 Ca 0.62 -1.16 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 1e0s s ILE 117 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1e0s s ILE 117 CO 0.39 0.25 0.39 -0.22 0.00 0.00 0.00 174.94 175.75 1e0s s LEU 118 N 1.25 4.12 -0.22 2.97 2.96 0.13 -1.56 118.68 128.33 1e0s s LEU 118 Ca -0.01 0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 1e0s s LEU 118 Cb -0.16 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 1e0s s LEU 118 CO -0.07 -0.11 0.29 -0.63 -1.32 0.00 0.00 176.35 174.51 1e0s s ILE 119 N 1.54 5.27 -0.52 6.68 -1.09 -0.07 -0.72 121.20 132.29 1e0s s ILE 119 Ca 0.18 0.47 -0.24 0.00 -2.23 0.00 0.00 60.65 58.82 1e0s s ILE 119 Cb -0.15 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1e0s s ILE 119 CO 0.08 0.28 0.93 -0.36 -1.23 0.00 0.00 174.94 174.64 1e0s s PHE 120 N 1.27 2.84 -1.06 3.97 0.08 -0.14 -1.07 117.98 123.87 1e0s s PHE 120 Ca 0.14 0.11 -0.20 0.00 0.12 0.00 0.00 56.93 57.10 1e0s s PHE 120 Cb -0.14 -4.02 0.09 0.00 -0.57 0.00 0.00 43.02 38.38 1e0s s PHE 120 CO 0.07 -1.26 1.39 0.00 -0.10 0.00 0.00 175.22 175.32 1e0s s ALA 121 N 3.86 3.17 0.44 5.36 0.00 -0.07 -1.33 121.76 133.19 1e0s s ALA 121 Ca 0.32 -2.66 -0.03 0.00 0.00 0.00 0.00 51.96 49.59 1e0s s ALA 121 Cb -0.12 -4.35 -0.03 0.00 0.00 0.00 0.00 23.12 18.62 1e0s s ALA 121 CO 0.21 -3.26 0.71 1.21 0.00 0.00 0.00 175.76 174.63 1e0s s ASN 122 N 4.17 6.22 -0.79 0.00 2.47 0.14 -1.31 114.94 125.84 1e0s s ASN 122 Ca 0.43 0.73 -0.03 0.00 0.42 0.00 0.00 52.86 54.40 1e0s s ASN 122 Cb -0.01 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.68 1e0s s ASN 122 CO -0.06 -0.52 0.45 0.29 -3.72 0.00 0.00 177.10 173.55 1e0s n LYS 123 N -2.11 -3.30 0.30 0.43 5.02 -0.84 -0.99 118.16 116.67 1e0s n LYS 123 Ca -0.01 0.47 0.20 0.00 -2.02 0.00 0.00 58.31 56.95 1e0s n LYS 123 Cb 0.56 -4.41 1.08 0.00 -0.02 0.00 0.00 35.03 32.24 1e0s n LYS 123 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1e0s h GLN 124 N -1.03 0.00 0.00 1.97 1.08 -1.68 -1.52 115.11 113.92 1e0s h GLN 124 Ca -0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1e0s h GLN 124 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1e0s h GLN 124 CO 0.30 0.00 0.00 0.38 -0.95 0.00 0.00 178.83 178.56 1e0s h ASP 125 N 0.00 0.00 -3.93 1.46 2.03 -1.92 -3.45 116.42 110.61 1e0s h ASP 125 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 1e0s h ASP 125 Cb 0.01 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1e0s h ASP 125 CO 0.00 0.00 0.25 -0.76 -1.03 0.00 0.00 179.24 177.70 1e0s s LEU 126 N -4.81 3.99 -0.09 0.15 1.43 -0.57 -4.97 118.68 113.80 1e0s s LEU 126 Ca 0.09 1.53 -0.37 0.00 -1.03 0.00 0.00 54.13 54.36 1e0s s LEU 126 Cb 0.11 -4.36 -0.14 0.00 0.03 0.00 0.00 46.19 41.82 1e0s s LEU 126 CO 0.58 -0.30 1.71 -2.65 0.23 0.00 0.00 176.35 175.92 1e0s n PRO 127 N -0.54 1.67 -3.38 1.29 -0.02 -1.26 -1.77 135.00 130.99 1e0s n PRO 127 Ca 0.06 0.61 -0.25 0.00 -2.02 0.00 0.00 63.50 61.90 1e0s n PRO 127 Cb 0.54 -2.36 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1e0s n PRO 127 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1e0s n ASP 128 N 5.16 -5.26 -4.77 2.55 2.03 -1.26 -4.91 116.55 110.09 1e0s n ASP 128 Ca 0.23 -0.45 -0.41 0.00 0.52 0.00 0.00 54.79 54.68 1e0s n ASP 128 Cb 0.22 -4.24 -0.02 0.00 -0.72 0.00 0.00 41.12 36.37 1e0s n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1e0s s ALA 129 N -3.16 3.48 0.28 -1.67 0.00 -0.73 -4.82 121.76 115.14 1e0s s ALA 129 Ca 0.45 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 1e0s s ALA 129 Cb -0.22 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.30 1e0s s ALA 129 CO 0.55 -0.72 1.49 -1.64 0.00 0.00 0.00 175.76 175.45 1e0s s MET 130 N -1.89 4.20 0.57 0.00 1.00 -0.79 -4.95 119.30 117.44 1e0s s MET 130 Ca 0.50 2.43 -0.11 0.00 0.00 0.00 0.00 55.69 58.51 1e0s s MET 130 Cb -0.40 -3.06 -0.05 0.00 0.00 0.00 0.00 34.83 31.32 1e0s s MET 130 CO 0.54 -0.50 0.98 0.15 0.00 0.00 0.00 175.02 176.19 1e0s s LYS 131 N -0.68 3.66 0.30 2.03 -0.14 -1.26 -4.83 119.74 118.83 1e0s s LYS 131 Ca 0.59 0.71 0.06 0.00 -1.36 0.00 0.00 55.97 55.97 1e0s s LYS 131 Cb -0.44 -2.14 0.81 0.00 -1.68 0.00 0.00 37.83 34.38 1e0s s LYS 131 CO 0.48 -0.45 1.67 -1.35 -0.76 0.00 0.00 175.35 174.94 1e0s h PRO 132 N 0.05 0.32 -0.08 -1.68 0.11 -1.95 -1.44 132.00 127.33 1e0s h PRO 132 Ca -0.45 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 1e0s h PRO 132 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1e0s h PRO 132 CO 0.62 0.21 -0.60 0.45 -0.21 0.00 0.00 178.00 178.47 1e0s h HIS 133 N 0.33 0.35 -0.00 0.65 3.86 -1.96 -0.90 115.15 117.47 1e0s h HIS 133 Ca 0.60 -0.13 -0.19 0.00 -1.16 0.00 0.00 60.37 59.49 1e0s h HIS 133 Cb 1.22 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 1e0s h HIS 133 CO -0.14 0.80 -0.84 1.05 0.86 0.00 0.00 177.93 179.66 1e0s h GLU 134 N 0.20 0.14 -0.94 2.45 4.11 -1.72 -3.18 114.58 115.64 1e0s h GLU 134 Ca -0.01 -0.15 0.02 0.00 0.07 0.00 0.00 59.36 59.29 1e0s h GLU 134 Cb 1.11 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1e0s h GLU 134 CO 0.10 0.90 0.62 0.82 0.07 0.00 0.00 179.01 181.51 1e0s h ILE 135 N 0.08 1.22 -0.95 -1.06 1.08 -0.86 0.15 117.51 117.17 1e0s h ILE 135 Ca -0.03 -0.43 0.15 0.00 -0.39 0.00 0.00 64.86 64.16 1e0s h ILE 135 Cb 1.46 -0.14 -0.09 0.00 -3.07 0.00 0.00 36.82 34.98 1e0s h ILE 135 CO 0.12 0.23 0.56 1.56 -0.69 0.00 0.00 178.15 179.94 1e0s h GLN 136 N 1.25 0.78 0.16 2.37 4.20 -1.15 -0.01 115.11 122.72 1e0s h GLN 136 Ca 0.35 -0.05 -0.26 0.00 0.06 0.00 0.00 58.65 58.75 1e0s h GLN 136 Cb -0.11 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 27.51 1e0s h GLN 136 CO -0.08 0.52 -1.21 1.49 -0.67 0.00 0.00 178.83 178.88 1e0s h GLU 137 N 0.81 0.35 -0.09 1.46 4.81 -1.42 -1.14 114.58 119.35 1e0s h GLU 137 Ca 0.51 -0.59 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1e0s h GLU 137 Cb 0.66 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1e0s h GLU 137 CO -0.33 1.28 -0.29 0.87 -0.73 0.00 0.00 179.01 179.82 1e0s h LYS 138 N -0.20 0.17 -0.16 1.92 1.57 -0.48 -1.82 116.57 117.58 1e0s h LYS 138 Ca -0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1e0s h LYS 138 Cb 1.83 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1e0s h LYS 138 CO 0.16 0.45 0.00 1.28 -0.57 0.00 0.00 179.45 180.76 1e0s n LEU 139 N -4.15 1.54 -1.08 2.94 4.77 -0.04 -4.82 117.00 116.17 1e0s n LEU 139 Ca -0.01 -0.65 -0.11 0.00 -0.03 0.00 0.00 56.01 55.21 1e0s n LEU 139 Cb 0.37 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1e0s n LEU 139 CO 0.39 0.32 -0.13 0.61 -1.33 0.00 0.00 177.39 177.26 1e0s n GLY 140 N 1.10 0.54 0.12 -0.72 0.00 -0.68 -4.87 105.19 100.68 1e0s n GLY 140 Ca 0.16 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1e0s n GLY 140 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1e0s h LEU 141 N 0.00 0.27 -2.00 0.99 3.38 -1.44 -3.20 115.31 113.31 1e0s h LEU 141 Ca -0.25 -0.24 0.17 0.00 0.09 0.00 0.00 57.88 57.66 1e0s h LEU 141 Cb 0.98 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1e0s h LEU 141 CO 0.33 1.07 0.43 0.74 0.09 0.00 0.00 178.44 181.10 1e0s h THR 142 N 0.10 0.70 -0.01 0.22 2.02 -1.88 -0.07 112.91 113.99 1e0s h THR 142 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1e0s h THR 142 Cb 1.61 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1e0s h THR 142 CO 0.15 0.00 -0.17 -2.11 0.37 0.00 0.00 175.52 173.75 1e0s n ARG 143 N -4.36 1.20 -2.86 6.66 1.85 -1.21 -4.77 116.66 113.18 1e0s n ARG 143 Ca 0.11 -0.74 -0.43 0.00 -1.00 0.00 0.00 57.85 55.79 1e0s n ARG 143 Cb 0.67 -1.48 -0.04 0.00 -1.05 0.00 0.00 32.46 30.55 1e0s n ARG 143 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1e0s s ILE 144 N -2.31 4.36 -2.04 8.89 1.01 -0.04 -4.84 121.20 126.24 1e0s s ILE 144 Ca 0.29 -0.18 0.23 0.00 0.00 0.00 0.00 60.65 60.99 1e0s s ILE 144 Cb 0.20 -4.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.04 1e0s s ILE 144 CO 0.45 -1.33 1.10 0.54 0.00 0.00 0.00 174.94 175.71 1e0s n ARG 145 N 7.58 1.21 0.02 2.79 1.74 -1.26 -4.52 116.66 124.21 1e0s n ARG 145 Ca -0.02 -0.99 0.12 0.00 -0.77 0.00 0.00 57.85 56.18 1e0s n ARG 145 Cb 0.46 -1.48 0.17 0.00 -1.02 0.00 0.00 32.46 30.59 1e0s n ARG 145 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1e0s n ASP 146 N -0.03 0.60 -3.86 0.55 5.75 -1.26 -4.97 116.55 113.33 1e0s n ASP 146 Ca 0.09 -0.20 -0.09 0.00 -0.01 0.00 0.00 54.79 54.58 1e0s n ASP 146 Cb 0.47 0.38 -0.05 0.00 -1.03 0.00 0.00 41.12 40.89 1e0s n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1e0s s ARG 147 N -3.08 1.43 0.03 0.11 3.03 -1.26 -5.09 118.95 114.12 1e0s s ARG 147 Ca 0.08 -1.04 -0.28 0.00 2.03 0.00 0.00 55.73 56.52 1e0s s ARG 147 Cb 0.16 0.49 -0.04 0.00 -1.03 0.00 0.00 34.95 34.53 1e0s s ARG 147 CO 0.73 -0.60 0.91 1.21 -1.13 0.00 0.00 175.30 176.42 1e0s s ASN 148 N -2.93 7.33 0.07 -2.89 3.04 -1.26 -5.03 114.94 113.27 1e0s s ASN 148 Ca 0.14 1.60 -0.06 0.00 0.04 0.00 0.00 52.86 54.58 1e0s s ASN 148 Cb -0.01 -2.54 -0.01 0.00 -1.54 0.00 0.00 41.25 37.15 1e0s s ASN 148 CO 0.02 -0.15 0.12 -1.66 -3.04 0.00 0.00 177.10 172.40 1e0s s TRP 149 N 0.55 0.25 -0.18 0.43 1.48 -1.26 -2.33 118.94 117.88 1e0s s TRP 149 Ca 0.47 -0.69 -0.19 0.00 -1.06 0.00 0.00 56.10 54.62 1e0s s TRP 149 Cb -0.21 -0.15 0.05 0.00 -1.16 0.00 0.00 33.47 32.00 1e0s s TRP 149 CO 0.26 -0.48 0.53 -0.47 -4.06 0.00 0.00 176.95 172.73 1e0s s TYR 150 N -3.71 -0.56 -0.27 1.66 5.04 -0.60 -4.97 117.35 113.94 1e0s s TYR 150 Ca 0.04 1.33 -0.07 0.00 -2.44 0.00 0.00 57.07 55.93 1e0s s TYR 150 Cb 0.05 0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.56 1e0s s TYR 150 CO -0.10 -0.31 0.06 0.08 -1.34 0.00 0.00 175.55 173.94 1e0s s VAL 151 N 0.06 4.03 -0.30 3.14 1.01 -1.26 -0.89 120.40 126.19 1e0s s VAL 151 Ca -0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1e0s s VAL 151 Cb -0.04 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1e0s s VAL 151 CO 0.02 0.22 0.11 -1.58 0.00 0.00 0.00 175.10 173.87 1e0s s GLN 152 N 1.54 3.21 0.33 2.72 2.00 -0.23 -4.96 119.66 124.27 1e0s s GLN 152 Ca 0.05 -0.79 -0.29 0.00 -2.00 0.00 0.00 55.36 52.32 1e0s s GLN 152 Cb -0.16 -3.46 -0.11 0.00 0.80 0.00 0.00 33.01 30.08 1e0s s GLN 152 CO 0.02 -0.43 1.47 -1.25 -0.50 0.00 0.00 175.29 174.60 1e0s s PRO 153 N 1.55 4.18 0.08 1.67 0.04 -1.26 -0.89 135.00 140.36 1e0s s PRO 153 Ca 0.04 2.48 -0.08 0.00 0.04 0.00 0.00 61.00 63.47 1e0s s PRO 153 Cb -0.17 -3.02 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 1e0s s PRO 153 CO 0.04 -0.48 0.17 -1.54 0.04 0.00 0.00 177.00 175.24 1e0s s SER 154 N -0.01 0.14 -0.39 6.66 1.04 -0.43 -4.33 113.70 116.38 1e0s s SER 154 Ca 0.55 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 56.36 1e0s s SER 154 Cb -0.45 0.32 0.13 0.00 0.10 0.00 0.00 66.02 66.12 1e0s s SER 154 CO 0.56 -0.69 0.21 0.00 0.98 0.00 0.00 173.24 174.30 1e0s h ALA 156 N 6.98 1.50 -0.33 0.00 0.00 -1.93 -0.41 119.26 125.07 1e0s h ALA 156 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1e0s h ALA 156 Cb 0.95 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1e0s h ALA 156 CO 0.40 0.36 0.09 1.79 0.00 0.00 0.00 179.25 181.89 1e0s h THR 157 N 0.10 1.15 -0.02 0.00 1.35 -1.95 -2.76 112.91 110.79 1e0s h THR 157 Ca 0.02 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1e0s h THR 157 Cb 0.47 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1e0s h THR 157 CO 0.03 0.19 -0.07 -1.54 -0.25 0.00 0.00 175.52 173.88 1e0s n SER 158 N -4.36 2.27 0.00 5.36 3.41 -0.95 -4.99 113.62 114.35 1e0s n SER 158 Ca 0.02 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 1e0s n SER 158 Cb 0.17 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1e0s n SER 158 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1e0s n GLY 159 N 1.01 0.80 3.75 5.00 0.00 -0.23 -5.04 105.19 110.48 1e0s n GLY 159 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1e0s n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e0s s ASP 160 N -2.73 7.07 0.00 1.61 1.11 -0.80 -3.37 116.67 119.56 1e0s s ASP 160 Ca 0.00 2.31 0.00 0.00 0.18 0.00 0.00 52.55 55.04 1e0s s ASP 160 Cb 0.00 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1e0s s ASP 160 CO 0.00 -0.36 0.00 0.61 1.18 0.00 0.00 175.17 176.60 1e0s n GLY 161 N 1.86 2.67 0.15 0.21 0.00 -1.26 -1.54 105.19 107.28 1e0s n GLY 161 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1e0s n GLY 161 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1e0s h LEU 162 N 0.00 -0.23 -1.41 0.99 3.38 -1.86 -1.57 115.31 114.61 1e0s h LEU 162 Ca 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1e0s h LEU 162 Cb 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1e0s h LEU 162 CO 0.00 0.21 0.19 1.88 0.09 0.00 0.00 178.44 180.81 1e0s h TYR 163 N -0.74 0.58 -0.54 1.13 0.05 -1.92 -1.36 116.97 114.18 1e0s h TYR 163 Ca -0.03 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 1e0s h TYR 163 Cb 0.50 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1e0s h TYR 163 CO 0.05 0.44 0.16 0.93 -1.05 0.00 0.00 178.16 178.69 1e0s h GLU 164 N 0.59 0.84 -0.39 4.88 3.07 -1.94 -1.23 114.58 120.39 1e0s h GLU 164 Ca 0.15 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1e0s h GLU 164 Cb 0.09 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1e0s h GLU 164 CO -0.02 0.78 0.07 0.78 -1.40 0.00 0.00 179.01 179.22 1e0s h GLY 165 N 0.74 0.69 2.00 -3.84 0.00 -0.98 -1.94 103.07 99.75 1e0s h GLY 165 Ca 0.17 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1e0s h GLY 165 CO -0.00 0.42 -0.24 1.41 0.00 0.00 0.00 176.54 178.13 1e0s h LEU 166 N 0.49 0.00 -0.26 3.11 3.38 -1.09 -1.94 115.31 119.02 1e0s h LEU 166 Ca 0.12 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1e0s h LEU 166 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1e0s h LEU 166 CO 0.01 0.24 -0.76 0.74 0.09 0.00 0.00 178.44 178.76 1e0s h THR 167 N 0.00 1.32 -0.34 0.22 2.02 -0.96 -2.09 112.91 113.07 1e0s h THR 167 Ca -0.00 -2.04 -0.00 0.00 0.77 0.00 0.00 66.41 65.14 1e0s h THR 167 Cb 0.67 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1e0s h THR 167 CO 0.03 0.63 0.21 -0.25 0.37 0.00 0.00 175.52 176.51 1e0s h TRP 168 N 0.44 0.44 -0.24 3.16 7.01 -0.80 -1.94 115.95 124.02 1e0s h TRP 168 Ca -0.04 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1e0s h TRP 168 Cb 1.37 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 28.27 1e0s h TRP 168 CO 0.07 0.31 0.07 1.25 -2.79 0.00 0.00 178.44 177.35 1e0s h LEU 169 N 0.44 0.36 -0.89 0.65 5.85 -1.21 -2.10 115.31 118.41 1e0s h LEU 169 Ca 0.12 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1e0s h LEU 169 Cb -0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1e0s h LEU 169 CO -0.02 0.47 -0.11 0.71 -0.34 0.00 0.00 178.44 179.15 1e0s h THR 170 N 0.22 1.25 0.00 1.05 1.35 -1.40 -1.11 112.91 114.27 1e0s h THR 170 Ca 0.08 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1e0s h THR 170 Cb 0.25 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1e0s h THR 170 CO -0.00 0.38 0.00 0.28 -0.25 0.00 0.00 175.52 175.93 1e0s h SER 171 N 0.64 0.00 -0.00 5.36 0.02 -1.15 -3.31 113.55 115.11 1e0s h SER 171 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1e0s h SER 171 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1e0s h SER 171 CO 0.03 0.00 -0.17 0.59 -1.14 0.00 0.00 176.83 176.15 1e0s n ASN 172 N -2.38 0.24 -4.81 3.07 3.02 -0.81 -5.05 115.26 108.55 1e0s n ASN 172 Ca 0.03 -0.62 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 1e0s n ASN 172 Cb 0.32 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 40.44 1e0s n ASN 172 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1e0s s TYR 173 N -1.30 3.09 0.00 3.10 1.13 -0.45 -5.01 117.35 117.92 1e0s s TYR 173 Ca 0.02 1.50 0.00 0.00 -1.41 0.00 0.00 57.07 57.18 1e0s s TYR 173 Cb 0.03 -2.96 0.00 0.00 -1.10 0.00 0.00 41.96 37.93 1e0s s TYR 173 CO 0.15 -0.96 0.23 1.63 -2.51 0.00 0.00 175.55 174.10