#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x84 s HIS 5 N 0.00 1.80 0.21 4.31 -3.43 -1.26 -1.18 115.29 115.74 1x84 s HIS 5 Ca 0.00 -1.23 0.10 0.00 -0.80 0.00 0.00 55.06 53.14 1x84 s HIS 5 Cb 0.00 -1.18 -0.04 0.00 -1.43 0.00 0.00 32.58 29.93 1x84 s HIS 5 CO 0.00 -0.24 -0.16 0.14 -2.00 0.00 0.00 174.74 172.48 1x84 s VAL 6 N -3.24 2.80 -0.33 -5.38 -7.23 -0.20 -4.66 120.40 102.16 1x84 s VAL 6 Ca 0.26 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.36 1x84 s VAL 6 Cb 0.04 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1x84 s VAL 6 CO 0.14 -0.18 0.28 -0.63 -0.31 0.00 0.00 175.10 174.40 1x84 s ILE 7 N -1.87 5.25 0.24 -0.62 1.01 -1.26 -1.97 121.20 121.97 1x84 s ILE 7 Ca 0.25 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1x84 s ILE 7 Cb -0.08 -3.73 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 1x84 s ILE 7 CO 0.14 -0.01 1.29 -0.76 0.00 0.00 0.00 174.94 175.60 1x84 s LEU 8 N 1.83 4.43 -0.03 2.97 1.43 0.11 -1.50 118.68 127.91 1x84 s LEU 8 Ca 0.08 2.45 0.05 0.00 -1.03 0.00 0.00 54.13 55.69 1x84 s LEU 8 Cb -0.17 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 1x84 s LEU 8 CO 0.11 -0.49 -0.19 -0.76 0.23 0.00 0.00 176.35 175.25 1x84 s LEU 9 N -0.60 2.48 0.00 1.79 1.43 -0.86 -0.67 118.68 122.25 1x84 s LEU 9 Ca 0.54 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1x84 s LEU 9 Cb -0.37 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.41 1x84 s LEU 9 CO 0.42 0.33 0.19 -0.46 0.23 0.00 0.00 176.35 177.06 1x84 n ASN 10 N 2.31 0.03 -0.22 2.29 2.04 0.15 -4.74 115.26 117.12 1x84 n ASN 10 Ca -0.17 -1.08 -0.02 0.00 -0.44 0.00 0.00 54.58 52.88 1x84 n ASN 10 Cb 0.52 -0.15 0.09 0.00 -2.53 0.00 0.00 39.78 37.71 1x84 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1x84 h ALA 11 N -1.88 0.86 -2.42 -2.53 0.00 -2.01 -3.37 119.26 107.91 1x84 h ALA 11 Ca -0.06 0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.38 1x84 h ALA 11 Cb 0.17 -0.11 0.11 0.00 0.00 0.00 0.00 17.79 17.96 1x84 h ALA 11 CO 0.04 0.03 0.34 -1.14 0.00 0.00 0.00 179.25 178.52 1x84 s GLN 12 N -6.10 2.06 -0.03 0.00 -0.44 -1.26 -4.88 119.66 109.02 1x84 s GLN 12 Ca -0.13 0.60 -0.05 0.00 -2.50 0.00 0.00 55.36 53.28 1x84 s GLN 12 Cb 0.16 -1.92 -0.23 0.00 -1.64 0.00 0.00 33.01 29.38 1x84 s GLN 12 CO 0.76 -1.63 3.46 0.41 0.50 0.00 0.00 175.29 178.79 1x84 n GLY 13 N -2.16 3.04 3.65 2.59 0.00 -1.26 -4.84 105.19 106.21 1x84 n GLY 13 Ca 0.07 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 1x84 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x84 s VAL 14 N 0.74 5.11 0.12 1.61 1.01 -1.26 -4.81 120.40 122.92 1x84 s VAL 14 Ca 0.62 0.89 -0.35 0.00 0.00 0.00 0.00 61.98 63.13 1x84 s VAL 14 Cb 0.30 -3.82 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 1x84 s VAL 14 CO -0.01 0.16 1.45 -2.65 0.00 0.00 0.00 175.10 174.06 1x84 n PRO 15 N 4.95 1.62 0.00 2.72 -0.02 -1.26 -0.68 135.00 142.34 1x84 n PRO 15 Ca -0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1x84 n PRO 15 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1x84 n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1x84 n THR 16 N 2.95 0.00 -3.90 3.45 -2.24 0.16 -4.88 114.28 109.82 1x84 n THR 16 Ca 0.18 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1x84 n THR 16 Cb 0.24 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1x84 n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x84 n GLY 17 N 0.34 -1.21 3.13 3.38 0.00 -1.23 -4.99 105.19 104.61 1x84 n GLY 17 Ca 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 1x84 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x84 s THR 18 N -3.00 0.16 0.05 2.61 -4.23 -1.26 0.05 115.64 110.02 1x84 s THR 18 Ca 0.00 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1x84 s THR 18 Cb 0.00 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1x84 s THR 18 CO 0.00 -0.73 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.53 1x84 s LEU 19 N -2.97 2.33 0.40 4.79 1.43 -0.83 -4.90 118.68 118.92 1x84 s LEU 19 Ca 0.14 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.31 1x84 s LEU 19 Cb 0.07 -0.04 -0.09 0.00 0.03 0.00 0.00 46.19 46.17 1x84 s LEU 19 CO -0.05 -0.33 1.25 -0.70 0.23 0.00 0.00 176.35 176.76 1x84 s GLU 20 N -2.26 4.03 0.18 1.70 -6.30 -1.26 -1.03 118.70 113.76 1x84 s GLU 20 Ca -0.05 2.04 -0.13 0.00 -2.50 0.00 0.00 54.97 54.32 1x84 s GLU 20 Cb -0.05 -2.75 0.08 0.00 0.00 0.00 0.00 34.13 31.41 1x84 s GLU 20 CO -0.02 -0.40 1.84 -0.22 0.02 0.00 0.00 175.26 176.47 1x84 h LYS 21 N 2.72 0.77 -0.32 4.30 3.64 -1.42 -2.36 116.57 123.91 1x84 h LYS 21 Ca -0.49 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 1x84 h LYS 21 Cb 1.24 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1x84 h LYS 21 CO 0.63 0.52 -0.03 -0.92 -2.27 0.00 0.00 179.45 177.38 1x84 h TYR 22 N 0.79 0.63 0.00 1.91 3.20 -1.91 -2.72 116.97 118.86 1x84 h TYR 22 Ca 0.21 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1x84 h TYR 22 Cb -0.07 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1x84 h TYR 22 CO -0.03 0.72 0.00 0.00 -1.64 0.00 0.00 178.16 177.21 1x84 n ALA 23 N -2.39 1.33 0.11 1.82 0.00 -1.06 -3.01 120.51 117.31 1x84 n ALA 23 Ca -0.02 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1x84 n ALA 23 Cb 0.28 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1x84 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x84 h ALA 24 N 2.21 0.68 -2.42 0.00 0.00 -1.09 -3.43 119.26 115.19 1x84 h ALA 24 Ca 0.00 -0.44 -0.73 0.00 0.00 0.00 0.00 54.91 53.74 1x84 h ALA 24 Cb 0.14 0.06 -0.22 0.00 0.00 0.00 0.00 17.79 17.77 1x84 h ALA 24 CO 0.00 0.52 -0.38 -1.01 0.00 0.00 0.00 179.25 178.38 1x84 s HIS 25 N -3.06 3.25 0.00 0.00 4.02 -1.17 -4.39 115.29 113.94 1x84 s HIS 25 Ca 0.01 -0.85 0.00 0.00 1.02 0.00 0.00 55.06 55.24 1x84 s HIS 25 Cb 0.08 -2.93 0.00 0.00 -1.02 0.00 0.00 32.58 28.71 1x84 s HIS 25 CO 0.76 -0.72 0.00 0.25 1.02 0.00 0.00 174.74 176.05 1x84 n THR 26 N 5.16 0.00 0.63 1.30 -2.24 -1.26 -4.91 114.28 112.96 1x84 n THR 26 Ca -0.12 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.78 1x84 n THR 26 Cb 0.45 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.14 1x84 n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x84 n ALA 27 N -3.00 1.98 -2.08 6.98 0.00 -1.26 -0.33 120.51 122.80 1x84 n ALA 27 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 1x84 n ALA 27 Cb 0.00 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.11 1x84 n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x84 n ASP 28 N -1.88 4.03 -4.68 0.00 8.00 -1.26 -4.64 116.55 116.12 1x84 n ASP 28 Ca 0.05 -3.51 -0.45 0.00 0.71 0.00 0.00 54.79 51.58 1x84 n ASP 28 Cb 0.29 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1x84 n ASP 28 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1x84 n THR 29 N -0.72 0.39 -3.14 -3.53 -1.04 -1.23 -4.97 114.28 100.04 1x84 n THR 29 Ca 0.35 -0.10 -0.31 0.00 -2.04 0.00 0.00 64.05 61.96 1x84 n THR 29 Cb 0.92 -1.55 -0.04 0.00 -1.82 0.00 0.00 70.33 67.83 1x84 n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1x84 s ARG 30 N 0.37 3.82 0.18 -2.82 0.52 -1.26 -4.71 118.95 115.05 1x84 s ARG 30 Ca 0.74 0.41 -0.33 0.00 -0.52 0.00 0.00 55.73 56.02 1x84 s ARG 30 Cb -0.65 -2.50 -0.13 0.00 0.52 0.00 0.00 34.95 32.18 1x84 s ARG 30 CO 0.42 0.14 1.57 -0.11 0.02 0.00 0.00 175.30 177.34 1x84 n LEU 31 N -0.72 3.26 -4.03 2.53 7.94 -1.26 -4.71 117.00 120.00 1x84 n LEU 31 Ca 0.02 1.09 -0.12 0.00 -1.11 0.00 0.00 56.01 55.89 1x84 n LEU 31 Cb 0.53 -1.45 -0.04 0.00 0.53 0.00 0.00 43.42 42.99 1x84 n LEU 31 CO 0.45 -0.24 0.17 -1.38 -1.11 0.00 0.00 177.39 175.28 1x84 s HIS 32 N 0.76 0.71 0.11 1.96 -3.43 -0.66 -2.04 115.29 112.70 1x84 s HIS 32 Ca 0.76 -1.03 -0.17 0.00 -0.80 0.00 0.00 55.06 53.82 1x84 s HIS 32 Cb -0.65 0.08 -0.07 0.00 -1.43 0.00 0.00 32.58 30.52 1x84 s HIS 32 CO 0.39 -1.09 0.57 -1.17 -2.00 0.00 0.00 174.74 171.44 1x84 s LEU 33 N -3.13 4.45 0.34 5.38 2.96 -0.56 -1.66 118.68 126.45 1x84 s LEU 33 Ca 0.26 1.20 -0.04 0.00 -0.22 0.00 0.00 54.13 55.33 1x84 s LEU 33 Cb -0.00 -3.07 0.01 0.00 0.50 0.00 0.00 46.19 43.62 1x84 s LEU 33 CO 0.14 0.20 0.49 0.00 -1.32 0.00 0.00 176.35 175.87 1x84 s ALA 34 N -1.27 0.57 0.13 5.97 0.00 -0.16 -4.34 121.76 122.66 1x84 s ALA 34 Ca 0.33 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1x84 s ALA 34 Cb -0.18 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 1x84 s ALA 34 CO 0.19 -0.81 -0.01 -0.59 0.00 0.00 0.00 175.76 174.54 1x84 s PHE 35 N -3.10 0.96 0.02 0.00 -0.12 0.11 -3.54 117.98 112.31 1x84 s PHE 35 Ca 0.29 -1.04 0.03 0.00 -0.05 0.00 0.00 56.93 56.16 1x84 s PHE 35 Cb -0.01 -0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 41.81 1x84 s PHE 35 CO 0.18 -0.27 -0.09 0.45 -0.05 0.00 0.00 175.22 175.44 1x84 s SER 36 N -3.08 1.10 0.00 1.98 0.15 -0.71 -1.97 113.70 111.17 1x84 s SER 36 Ca 0.18 -0.33 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 1x84 s SER 36 Cb 0.06 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.30 1x84 s SER 36 CO -0.01 0.00 0.05 -0.55 1.20 0.00 0.00 173.24 173.93 1x84 s SER 37 N -0.80 0.09 -0.22 5.45 0.15 0.67 -0.63 113.70 118.41 1x84 s SER 37 Ca -0.01 -0.23 -0.03 0.00 0.70 0.00 0.00 55.95 56.38 1x84 s SER 37 Cb -0.06 0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1x84 s SER 37 CO 0.00 -0.24 -0.06 0.26 1.20 0.00 0.00 173.24 174.40 1x84 s TRP 38 N -1.00 2.94 -0.09 3.44 0.52 -0.45 -2.38 118.94 121.92 1x84 s TRP 38 Ca -0.11 -1.05 -0.01 0.00 0.02 0.00 0.00 56.10 54.95 1x84 s TRP 38 Cb -0.07 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.15 1x84 s TRP 38 CO 0.00 -0.59 -0.05 -0.51 0.02 0.00 0.00 176.95 175.82 1x84 s LEU 39 N 1.45 3.25 0.06 2.99 1.43 -1.26 -1.80 118.68 124.80 1x84 s LEU 39 Ca 0.06 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1x84 s LEU 39 Cb -0.14 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1x84 s LEU 39 CO -0.05 0.32 -0.22 -0.36 0.23 0.00 0.00 176.35 176.28 1x84 s PHE 40 N -0.56 1.91 0.13 0.29 0.40 -0.55 -0.97 117.98 118.63 1x84 s PHE 40 Ca 0.09 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1x84 s PHE 40 Cb -0.12 -1.11 0.03 0.00 0.51 0.00 0.00 43.02 42.33 1x84 s PHE 40 CO 0.02 0.14 0.18 0.27 0.70 0.00 0.00 175.22 176.53 1x84 n ASN 41 N 1.58 0.17 0.28 1.36 0.23 -0.05 -1.68 115.26 117.15 1x84 n ASN 41 Ca -0.18 -1.16 0.15 0.00 -0.53 0.00 0.00 54.58 52.87 1x84 n ASN 41 Cb 0.53 -0.12 0.85 0.00 -2.08 0.00 0.00 39.78 38.96 1x84 n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x84 h ALA 42 N -0.86 1.28 -0.00 -2.53 0.00 -1.91 -1.51 119.26 113.73 1x84 h ALA 42 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1x84 h ALA 42 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1x84 h ALA 42 CO 0.06 0.08 -0.08 1.63 0.00 0.00 0.00 179.25 180.94 1x84 n LYS 43 N -3.57 0.40 -0.87 0.00 5.02 -1.26 -4.90 118.16 112.98 1x84 n LYS 43 Ca -0.02 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1x84 n LYS 43 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1x84 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x84 n GLY 44 N 1.34 0.54 3.79 0.72 0.00 -0.57 -5.00 105.19 106.02 1x84 n GLY 44 Ca 0.12 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1x84 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x84 s GLN 45 N -0.51 4.13 -0.00 1.61 -0.21 -1.26 -4.53 119.66 118.89 1x84 s GLN 45 Ca 0.00 1.44 -0.20 0.00 0.02 0.00 0.00 55.36 56.62 1x84 s GLN 45 Cb 0.00 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.51 1x84 s GLN 45 CO 0.00 -0.16 0.59 -1.17 -2.12 0.00 0.00 175.29 172.43 1x84 s LEU 46 N -2.80 4.42 -0.31 2.90 2.96 0.87 -0.87 118.68 125.84 1x84 s LEU 46 Ca 0.59 1.16 -0.22 0.00 -0.22 0.00 0.00 54.13 55.45 1x84 s LEU 46 Cb -0.20 -2.91 -0.00 0.00 0.50 0.00 0.00 46.19 43.58 1x84 s LEU 46 CO 0.25 0.12 0.70 -0.22 -1.32 0.00 0.00 176.35 175.87 1x84 s LEU 47 N -0.26 4.13 -0.09 -0.68 2.96 -0.15 -1.30 118.68 123.30 1x84 s LEU 47 Ca 0.31 0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1x84 s LEU 47 Cb -0.18 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 1x84 s LEU 47 CO 0.17 -0.55 0.00 -0.69 -1.32 0.00 0.00 176.35 173.96 1x84 s VAL 48 N 2.77 4.30 0.28 1.68 1.01 0.00 -3.32 120.40 127.11 1x84 s VAL 48 Ca 0.28 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.10 1x84 s VAL 48 Cb -0.14 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1x84 s VAL 48 CO 0.12 0.60 -0.14 0.42 0.00 0.00 0.00 175.10 176.11 1x84 s THR 49 N -0.83 2.08 -0.21 3.92 -4.23 -0.68 -1.09 115.64 114.60 1x84 s THR 49 Ca 0.13 -2.26 -0.02 0.00 -1.18 0.00 0.00 61.69 58.35 1x84 s THR 49 Cb -0.11 -2.34 -0.00 0.00 1.34 0.00 0.00 72.50 71.38 1x84 s THR 49 CO 0.02 -0.39 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.03 1x84 s ARG 50 N -3.61 3.27 0.48 3.99 3.52 0.32 -0.26 118.95 126.66 1x84 s ARG 50 Ca 0.29 -0.68 -0.24 0.00 -0.13 0.00 0.00 55.73 54.97 1x84 s ARG 50 Cb -0.01 -2.88 -0.07 0.00 -1.56 0.00 0.00 34.95 30.44 1x84 s ARG 50 CO 0.13 -0.19 1.34 1.03 -0.81 0.00 0.00 175.30 176.80 1x84 s ARG 51 N 1.39 3.55 0.81 5.12 0.52 -0.38 -1.00 118.95 128.96 1x84 s ARG 51 Ca 0.05 2.21 -0.13 0.00 -0.52 0.00 0.00 55.73 57.34 1x84 s ARG 51 Cb -0.14 -2.50 0.08 0.00 0.52 0.00 0.00 34.95 32.91 1x84 s ARG 51 CO -0.06 -0.85 1.20 0.00 0.02 0.00 0.00 175.30 175.61 1x84 s ALA 52 N -1.29 1.84 -0.70 2.13 0.00 -0.16 -1.11 121.76 122.48 1x84 s ALA 52 Ca 0.64 0.80 0.19 0.00 0.00 0.00 0.00 51.96 53.60 1x84 s ALA 52 Cb -0.39 -3.48 0.82 0.00 0.00 0.00 0.00 23.12 20.07 1x84 s ALA 52 CO 0.49 -2.28 1.60 1.28 0.00 0.00 0.00 175.76 176.85 1x84 n LEU 53 N -3.34 0.38 -0.09 0.00 4.77 -1.26 -2.33 117.00 115.13 1x84 n LEU 53 Ca 0.13 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.83 1x84 n LEU 53 Cb 0.51 -0.55 0.32 0.00 -2.33 0.00 0.00 43.42 41.36 1x84 n LEU 53 CO 0.48 -0.44 0.55 -1.54 -1.33 0.00 0.00 177.39 175.11 1x84 n SER 54 N -1.93 0.67 -4.76 -1.43 3.41 -1.26 -4.80 113.62 103.53 1x84 n SER 54 Ca 0.03 -0.47 -0.39 0.00 -0.26 0.00 0.00 58.87 57.77 1x84 n SER 54 Cb 0.20 0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1x84 n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1x84 s LYS 55 N -2.80 3.70 0.18 4.33 -0.14 -0.99 -4.91 119.74 119.11 1x84 s LYS 55 Ca 0.16 2.17 -0.00 0.00 -1.36 0.00 0.00 55.97 56.94 1x84 s LYS 55 Cb 0.18 -2.58 0.08 0.00 -1.68 0.00 0.00 37.83 33.84 1x84 s LYS 55 CO 0.62 -0.72 1.45 -0.22 -0.76 0.00 0.00 175.35 175.72 1x84 h LYS 56 N 2.25 0.35 -5.97 1.68 1.63 -1.91 -3.35 116.57 111.24 1x84 h LYS 56 Ca -0.50 -0.29 -0.68 0.00 -0.85 0.00 0.00 60.65 58.33 1x84 h LYS 56 Cb 1.26 0.06 -0.22 0.00 -0.60 0.00 0.00 32.23 32.73 1x84 h LYS 56 CO 0.61 0.94 -0.74 0.00 -3.45 0.00 0.00 179.45 176.81 1x84 s ALA 57 N -3.59 2.79 -1.43 5.00 0.00 -1.26 -4.70 121.76 118.57 1x84 s ALA 57 Ca -0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1x84 s ALA 57 Cb 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1x84 s ALA 57 CO 0.83 0.47 0.31 0.91 0.00 0.00 0.00 175.76 178.28 1x84 n TRP 58 N 2.64 -1.52 -1.99 0.00 8.01 -1.26 -4.91 117.44 118.40 1x84 n TRP 58 Ca -0.18 0.65 -0.40 0.00 -1.31 0.00 0.00 57.50 56.27 1x84 n TRP 58 Cb 0.53 -3.37 -0.00 0.00 -2.01 0.00 0.00 31.31 26.45 1x84 n TRP 58 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1x84 s PRO 59 N -6.84 3.96 -0.17 -0.99 0.04 -1.26 -3.16 135.00 126.58 1x84 s PRO 59 Ca 0.05 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1x84 s PRO 59 Cb -0.02 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1x84 s PRO 59 CO 0.93 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.85 1x84 n GLY 60 N 0.65 0.52 3.72 0.56 0.00 -0.26 -4.91 105.19 105.47 1x84 n GLY 60 Ca 0.03 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 1x84 n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x84 s VAL 61 N -1.99 4.72 0.15 1.61 1.01 -1.19 -4.76 120.40 119.94 1x84 s VAL 61 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1x84 s VAL 61 Cb 0.00 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 1x84 s VAL 61 CO 0.00 0.58 1.14 0.26 0.00 0.00 0.00 175.10 177.08 1x84 s TRP 62 N -0.67 3.52 0.16 5.22 0.52 -1.26 -1.25 118.94 125.18 1x84 s TRP 62 Ca 0.11 1.49 -0.04 0.00 0.02 0.00 0.00 56.10 57.68 1x84 s TRP 62 Cb -0.12 -3.34 0.02 0.00 -1.15 0.00 0.00 33.47 28.88 1x84 s TRP 62 CO 0.02 -0.89 0.29 -2.37 0.02 0.00 0.00 176.95 174.03 1x84 n THR 63 N 2.80 0.00 -0.33 2.01 5.66 0.64 -0.89 114.28 124.17 1x84 n THR 63 Ca 0.05 -0.56 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1x84 n THR 63 Cb 0.46 0.45 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 1x84 n THR 63 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1x84 n ASN 64 N -1.49 -0.16 -0.03 1.09 0.23 -1.26 -1.69 115.26 111.94 1x84 n ASN 64 Ca -0.02 -0.33 -0.14 0.00 -0.53 0.00 0.00 54.58 53.56 1x84 n ASN 64 Cb 0.26 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.85 1x84 n ASN 64 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1x84 h SER 65 N -0.16 0.15 -3.45 0.53 0.02 -1.46 -3.28 113.55 105.89 1x84 h SER 65 Ca 0.00 -0.66 -0.05 0.00 -0.84 0.00 0.00 61.79 60.24 1x84 h SER 65 Cb 0.00 -0.05 -0.23 0.00 0.14 0.00 0.00 62.40 62.27 1x84 h SER 65 CO 0.00 0.79 -0.06 0.54 -1.14 0.00 0.00 176.83 176.96 1x84 s VAL 66 N -3.58 -0.01 0.13 2.27 0.11 -1.00 -4.72 120.40 113.60 1x84 s VAL 66 Ca -0.16 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1x84 s VAL 66 Cb 0.01 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1x84 s VAL 66 CO 0.72 0.01 -0.07 0.00 -3.33 0.00 0.00 175.10 172.42 1x84 n GLY 68 N -0.15 0.85 2.77 0.00 0.00 -0.83 -4.98 105.19 102.85 1x84 n GLY 68 Ca -0.10 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1x84 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x84 s HIS 69 N -3.05 1.58 0.53 1.61 3.76 -1.26 0.04 115.29 118.50 1x84 s HIS 69 Ca 0.00 -1.43 -0.22 0.00 -0.15 0.00 0.00 55.06 53.26 1x84 s HIS 69 Cb 0.00 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.19 1x84 s HIS 69 CO 0.00 -0.76 1.38 -2.14 -0.85 0.00 0.00 174.74 172.36 1x84 s PRO 70 N 1.67 3.20 0.52 8.40 0.02 -1.26 -4.96 135.00 142.59 1x84 s PRO 70 Ca 0.03 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.31 1x84 s PRO 70 Cb -0.17 -2.31 0.01 0.00 0.02 0.00 0.00 34.50 32.04 1x84 s PRO 70 CO -0.16 -1.16 0.78 -0.65 -0.33 0.00 0.00 177.00 175.49 1x84 s GLN 71 N -2.85 2.95 -0.11 5.54 -1.52 -1.26 -4.48 119.66 117.93 1x84 s GLN 71 Ca 0.70 -0.30 -0.39 0.00 -1.95 0.00 0.00 55.36 53.43 1x84 s GLN 71 Cb -0.41 -2.42 -0.16 0.00 -0.22 0.00 0.00 33.01 29.79 1x84 s GLN 71 CO 0.49 -0.50 1.56 1.28 -0.25 0.00 0.00 175.29 177.87 1x84 n LEU 72 N -2.33 2.04 0.00 2.90 4.32 -1.26 -1.03 117.00 121.64 1x84 n LEU 72 Ca 0.03 1.10 0.00 0.00 -0.02 0.00 0.00 56.01 57.12 1x84 n LEU 72 Cb 0.58 -1.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.22 1x84 n LEU 72 CO 0.50 -0.72 0.00 0.61 -1.22 0.00 0.00 177.39 176.56 1x84 n GLY 73 N 3.42 1.18 3.78 -0.72 0.00 -1.26 -5.00 105.19 106.58 1x84 n GLY 73 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1x84 n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x84 s GLU 74 N -0.05 4.05 0.64 1.61 2.12 -0.19 -5.07 118.70 121.80 1x84 s GLU 74 Ca 0.00 0.23 -0.17 0.00 0.36 0.00 0.00 54.97 55.40 1x84 s GLU 74 Cb 0.00 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 1x84 s GLU 74 CO 0.00 0.45 1.16 -1.54 -0.54 0.00 0.00 175.26 174.79 1x84 s SER 75 N -0.24 5.05 0.21 -1.70 1.04 -1.26 -4.68 113.70 112.11 1x84 s SER 75 Ca 0.20 2.21 -0.09 0.00 0.48 0.00 0.00 55.95 58.76 1x84 s SER 75 Cb -0.14 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.66 1x84 s SER 75 CO 0.08 -1.68 1.80 0.78 0.98 0.00 0.00 173.24 175.21 1x84 h ASN 76 N 0.40 0.55 -0.64 7.02 -0.26 -1.97 -1.39 115.58 119.30 1x84 h ASN 76 Ca -0.48 0.03 0.01 0.00 -0.56 0.00 0.00 56.30 55.30 1x84 h ASN 76 Cb 1.27 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 38.43 1x84 h ASN 76 CO 0.54 0.35 0.42 -0.33 -1.06 0.00 0.00 177.43 177.35 1x84 h GLU 77 N 0.68 0.83 -0.24 0.81 3.07 -1.94 -1.38 114.58 116.42 1x84 h GLU 77 Ca 0.31 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 59.02 1x84 h GLU 77 Cb 0.22 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1x84 h GLU 77 CO -0.20 0.55 -0.29 -0.44 -1.40 0.00 0.00 179.01 177.23 1x84 h ASP 78 N 0.85 0.48 -0.57 1.42 3.32 -1.83 -1.44 116.42 118.66 1x84 h ASP 78 Ca 0.24 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1x84 h ASP 78 Cb -0.09 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1x84 h ASP 78 CO -0.06 0.76 0.27 0.00 -1.72 0.00 0.00 179.24 178.49 1x84 h ALA 79 N 1.28 0.74 0.03 3.45 0.00 -0.46 0.16 119.26 124.46 1x84 h ALA 79 Ca 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x84 h ALA 79 Cb 0.72 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1x84 h ALA 79 CO 0.06 0.31 -0.06 0.28 0.00 0.00 0.00 179.25 179.84 1x84 h VAL 80 N 0.78 0.85 -0.97 0.00 2.07 -0.99 0.58 116.25 118.57 1x84 h VAL 80 Ca 0.20 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1x84 h VAL 80 Cb 0.14 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1x84 h VAL 80 CO -0.02 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.61 1x84 h ILE 81 N -0.12 1.24 -0.02 4.57 2.04 -1.01 0.84 117.51 125.04 1x84 h ILE 81 Ca 0.01 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1x84 h ILE 81 Cb 0.13 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1x84 h ILE 81 CO -0.04 0.24 0.01 -0.09 0.00 0.00 0.00 178.15 178.27 1x84 h ARG 82 N 1.30 0.03 0.00 2.37 2.43 -0.27 -2.24 114.38 118.00 1x84 h ARG 82 Ca 0.36 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.43 1x84 h ARG 82 Cb -0.13 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1x84 h ARG 82 CO -0.08 0.09 -0.45 0.00 -1.51 0.00 0.00 179.97 178.02 1x84 h ARG 83 N -0.05 0.00 -0.28 0.20 2.47 -0.61 0.46 114.38 116.56 1x84 h ARG 83 Ca 0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1x84 h ARG 83 Cb 0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1x84 h ARG 83 CO -0.00 0.45 0.16 0.00 0.56 0.00 0.00 179.97 181.14 1x84 h ARG 85 N 0.35 0.55 -0.15 0.00 3.08 -1.03 -1.24 114.38 115.93 1x84 h ARG 85 Ca 0.10 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1x84 h ARG 85 Cb 0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1x84 h ARG 85 CO -0.02 0.56 -0.20 -0.92 -1.07 0.00 0.00 179.97 178.32 1x84 h TYR 86 N 0.43 0.49 0.18 3.04 3.20 -0.67 -1.33 116.97 122.32 1x84 h TYR 86 Ca 0.12 -0.16 -0.32 0.00 3.14 0.00 0.00 58.73 61.51 1x84 h TYR 86 Cb 0.23 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.42 1x84 h TYR 86 CO 0.00 0.82 -1.48 0.93 -1.64 0.00 0.00 178.16 176.79 1x84 h GLU 87 N 0.02 0.38 0.00 1.82 5.08 -0.92 -3.42 114.58 117.55 1x84 h GLU 87 Ca 0.02 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1x84 h GLU 87 Cb 0.76 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1x84 h GLU 87 CO 0.05 1.29 0.00 1.28 -1.00 0.00 0.00 179.01 180.63 1x84 n LEU 88 N -3.59 1.33 -2.13 1.33 4.77 -0.51 -1.40 117.00 116.79 1x84 n LEU 88 Ca -0.16 -1.33 -0.17 0.00 -0.03 0.00 0.00 56.01 54.32 1x84 n LEU 88 Cb 1.07 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.13 1x84 n LEU 88 CO 0.55 0.33 -0.20 0.61 -1.33 0.00 0.00 177.39 177.36 1x84 n GLY 89 N -0.21 0.14 3.37 -0.72 0.00 -0.50 -0.71 105.19 106.56 1x84 n GLY 89 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x84 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x84 s VAL 90 N -2.70 2.30 0.22 1.61 0.11 -1.06 -4.21 120.40 116.67 1x84 s VAL 90 Ca 0.00 -1.23 -0.15 0.00 -2.93 0.00 0.00 61.98 57.66 1x84 s VAL 90 Cb 0.00 -1.88 -0.08 0.00 -1.53 0.00 0.00 36.38 32.89 1x84 s VAL 90 CO 0.00 0.43 0.64 -1.61 -3.33 0.00 0.00 175.10 171.23 1x84 s GLU 91 N -1.08 4.03 0.14 1.54 0.41 -1.26 -3.53 118.70 118.95 1x84 s GLU 91 Ca 0.12 0.59 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 1x84 s GLU 91 Cb -0.10 -2.76 -0.04 0.00 -1.78 0.00 0.00 34.13 29.45 1x84 s GLU 91 CO 0.02 0.36 0.03 0.96 -0.49 0.00 0.00 175.26 176.13 1x84 s ILE 92 N -1.66 0.37 0.76 -1.63 -4.36 -1.26 -0.34 121.20 113.09 1x84 s ILE 92 Ca 0.44 -1.94 -0.11 0.00 -0.26 0.00 0.00 60.65 58.78 1x84 s ILE 92 Cb -0.14 -2.04 0.05 0.00 1.25 0.00 0.00 42.46 41.58 1x84 s ILE 92 CO 0.20 -0.51 1.10 0.42 0.24 0.00 0.00 174.94 176.39 1x84 s THR 93 N -3.86 3.20 -0.04 8.37 -4.23 0.03 -4.83 115.64 114.29 1x84 s THR 93 Ca 0.23 0.39 -0.34 0.00 -1.18 0.00 0.00 61.69 60.79 1x84 s THR 93 Cb 0.07 -3.23 -0.12 0.00 1.34 0.00 0.00 72.50 70.56 1x84 s THR 93 CO 0.02 -0.51 1.81 -2.65 -0.54 0.00 0.00 174.62 172.75 1x84 n PRO 94 N -3.28 2.12 -1.68 3.99 -0.02 -1.26 -4.62 135.00 130.25 1x84 n PRO 94 Ca 0.07 0.78 -0.44 0.00 -2.02 0.00 0.00 63.50 61.88 1x84 n PRO 94 Cb 0.57 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1x84 n PRO 94 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1x84 n PRO 95 N 5.86 2.14 -4.19 0.52 -0.02 -1.26 -4.87 135.00 133.18 1x84 n PRO 95 Ca 0.21 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 62.11 1x84 n PRO 95 Cb 0.29 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 1x84 n PRO 95 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1x84 s GLU 96 N -0.39 3.09 0.10 -0.52 -1.05 -0.23 -4.91 118.70 114.79 1x84 s GLU 96 Ca 0.68 -0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 54.82 1x84 s GLU 96 Cb -0.63 -2.89 -0.06 0.00 -0.44 0.00 0.00 34.13 30.12 1x84 s GLU 96 CO 0.49 0.70 1.04 0.45 0.95 0.00 0.00 175.26 178.89 1x84 s SER 97 N -1.20 7.34 0.00 0.83 0.15 -1.26 -1.28 113.70 118.28 1x84 s SER 97 Ca 0.17 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.70 1x84 s SER 97 Cb -0.12 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1x84 s SER 97 CO 0.06 -0.22 0.00 2.30 1.20 0.00 0.00 173.24 176.59 1x84 n ILE 98 N 3.11 0.00 -2.90 6.45 -5.35 -0.20 -4.90 119.36 115.57 1x84 n ILE 98 Ca 0.04 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.43 1x84 n ILE 98 Cb 0.48 0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 38.64 1x84 n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x84 n TYR 99 N -1.46 -3.20 0.24 4.28 4.19 -1.11 -4.14 117.16 115.96 1x84 n TYR 99 Ca 0.00 -1.80 0.13 0.00 3.31 0.00 0.00 57.90 59.55 1x84 n TYR 99 Cb 0.07 1.22 0.45 0.00 0.49 0.00 0.00 39.34 41.56 1x84 n TYR 99 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1x84 h PRO 100 N 5.10 0.00 -0.46 2.98 0.13 -1.92 -2.16 132.00 135.67 1x84 h PRO 100 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1x84 h PRO 100 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1x84 h PRO 100 CO 0.10 0.08 0.00 -0.40 -0.23 0.00 0.00 178.00 177.55 1x84 n ASP 101 N -3.16 4.64 -4.74 1.44 5.75 -1.26 -4.38 116.55 114.84 1x84 n ASP 101 Ca 0.02 -2.77 -0.41 0.00 -0.01 0.00 0.00 54.79 51.61 1x84 n ASP 101 Cb 0.42 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 39.92 1x84 n ASP 101 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1x84 s PHE 102 N -2.43 3.04 -0.07 2.11 5.36 -1.19 -4.91 117.98 119.88 1x84 s PHE 102 Ca 0.47 1.00 -0.04 0.00 -0.96 0.00 0.00 56.93 57.39 1x84 s PHE 102 Cb 0.35 -3.82 0.03 0.00 -0.34 0.00 0.00 43.02 39.24 1x84 s PHE 102 CO 0.15 -2.69 0.17 0.50 -1.46 0.00 0.00 175.22 171.89 1x84 s ARG 103 N -0.19 0.15 0.15 10.12 3.00 -1.26 -0.45 118.95 130.45 1x84 s ARG 103 Ca 0.60 0.33 -0.20 0.00 -1.00 0.00 0.00 55.73 55.47 1x84 s ARG 103 Cb -0.42 -0.06 0.05 0.00 0.00 0.00 0.00 34.95 34.53 1x84 s ARG 103 CO 0.42 -0.10 0.51 -0.47 0.00 0.00 0.00 175.30 175.65 1x84 s TYR 104 N 0.73 -0.37 -0.02 5.12 6.04 -0.23 -4.98 117.35 123.63 1x84 s TYR 104 Ca -0.05 0.10 0.00 0.00 0.04 0.00 0.00 57.07 57.16 1x84 s TYR 104 Cb -0.07 0.42 0.02 0.00 -1.04 0.00 0.00 41.96 41.29 1x84 s TYR 104 CO -0.04 -0.79 0.00 0.50 -1.54 0.00 0.00 175.55 173.69 1x84 s ARG 105 N -3.78 0.23 0.18 4.97 3.52 -1.26 -1.07 118.95 121.74 1x84 s ARG 105 Ca 0.02 0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 55.57 1x84 s ARG 105 Cb 0.00 -0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.00 1x84 s ARG 105 CO -0.12 -0.11 0.37 0.00 -0.81 0.00 0.00 175.30 174.63 1x84 s ALA 106 N 0.84 -0.33 -0.08 6.12 0.00 -0.30 -5.01 121.76 123.01 1x84 s ALA 106 Ca -0.08 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1x84 s ALA 106 Cb -0.11 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1x84 s ALA 106 CO -0.02 -0.70 -0.15 0.99 0.00 0.00 0.00 175.76 175.88 1x84 s THR 107 N -3.94 1.40 0.77 0.00 2.01 -1.26 -1.42 115.64 113.20 1x84 s THR 107 Ca 0.14 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.43 1x84 s THR 107 Cb 0.02 -1.26 0.09 0.00 0.01 0.00 0.00 72.50 71.36 1x84 s THR 107 CO -0.01 0.41 1.10 1.51 -0.69 0.00 0.00 174.62 176.95 1x84 s ASP 108 N 0.64 4.47 0.61 3.53 -4.77 0.55 -4.91 116.67 116.79 1x84 s ASP 108 Ca -0.14 0.47 0.32 0.00 -3.30 0.00 0.00 52.55 49.89 1x84 s ASP 108 Cb -0.16 -0.97 1.84 0.00 -1.09 0.00 0.00 42.92 42.53 1x84 s ASP 108 CO 0.04 -1.85 2.17 -0.65 0.70 0.00 0.00 175.17 175.57 1x84 h PRO 109 N -0.86 0.00 -0.25 2.11 0.11 -2.00 -0.30 132.00 130.81 1x84 h PRO 109 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1x84 h PRO 109 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1x84 h PRO 109 CO 0.58 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 1x84 n SER 110 N -3.58 2.60 0.00 -2.05 3.41 -1.26 -4.93 113.62 107.82 1x84 n SER 110 Ca -0.01 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 1x84 n SER 110 Cb 0.23 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1x84 n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x84 n GLY 111 N 1.32 0.76 3.72 5.00 0.00 -0.12 -5.07 105.19 110.80 1x84 n GLY 111 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1x84 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x84 s ILE 112 N -2.32 4.62 -0.10 -0.61 -1.09 -1.26 -4.04 121.20 116.40 1x84 s ILE 112 Ca 0.00 1.96 -0.05 0.00 -2.23 0.00 0.00 60.65 60.33 1x84 s ILE 112 Cb 0.00 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1x84 s ILE 112 CO 0.00 0.20 0.10 -0.69 -1.23 0.00 0.00 174.94 173.31 1x84 s VAL 113 N 0.71 5.11 -0.02 2.92 1.01 0.55 -0.33 120.40 130.34 1x84 s VAL 113 Ca 0.51 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1x84 s VAL 113 Cb -0.23 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1x84 s VAL 113 CO 0.29 0.59 -0.09 -1.61 0.00 0.00 0.00 175.10 174.28 1x84 s GLU 114 N -1.04 2.56 -0.31 2.72 0.41 -0.51 -4.39 118.70 118.14 1x84 s GLU 114 Ca 0.15 -0.69 -0.01 0.00 -0.41 0.00 0.00 54.97 54.01 1x84 s GLU 114 Cb -0.12 -2.48 0.12 0.00 -1.78 0.00 0.00 34.13 29.88 1x84 s GLU 114 CO 0.04 0.62 0.22 1.21 -0.49 0.00 0.00 175.26 176.87 1x84 s ASN 115 N -1.12 2.59 -0.00 -0.19 3.84 -1.26 -1.15 114.94 117.64 1x84 s ASN 115 Ca 0.14 -1.31 -0.04 0.00 0.21 0.00 0.00 52.86 51.87 1x84 s ASN 115 Cb -0.11 0.01 -0.00 0.00 -0.55 0.00 0.00 41.25 40.60 1x84 s ASN 115 CO 0.04 -0.38 0.07 -1.61 -2.79 0.00 0.00 177.10 172.43 1x84 s GLU 116 N 1.93 0.30 -0.32 0.43 2.02 -0.23 -1.65 118.70 121.18 1x84 s GLU 116 Ca 0.12 -0.28 -0.20 0.00 0.02 0.00 0.00 54.97 54.62 1x84 s GLU 116 Cb -0.16 0.12 -0.01 0.00 0.10 0.00 0.00 34.13 34.18 1x84 s GLU 116 CO -0.25 -0.06 0.61 0.08 0.02 0.00 0.00 175.26 175.65 1x84 s VAL 117 N -0.91 4.94 -0.47 2.63 1.01 -0.66 -1.07 120.40 125.86 1x84 s VAL 117 Ca -0.10 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.64 1x84 s VAL 117 Cb -0.06 -4.01 0.18 0.00 0.00 0.00 0.00 36.38 32.49 1x84 s VAL 117 CO 0.00 -0.19 0.40 0.00 0.00 0.00 0.00 175.10 175.32 1x84 n PRO 119 N 2.47 1.94 -4.42 0.00 -0.04 -1.23 -4.37 135.00 129.34 1x84 n PRO 119 Ca 0.27 0.70 -0.34 0.00 -0.04 0.00 0.00 63.50 64.08 1x84 n PRO 119 Cb 0.46 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.31 1x84 n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x84 s VAL 120 N -1.23 4.10 0.34 0.52 1.01 -0.82 -1.74 120.40 122.58 1x84 s VAL 120 Ca 0.64 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1x84 s VAL 120 Cb -0.46 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1x84 s VAL 120 CO 0.55 0.57 0.05 -0.36 0.00 0.00 0.00 175.10 175.92 1x84 s PHE 121 N -0.54 2.07 0.02 5.22 0.40 0.20 -1.03 117.98 124.31 1x84 s PHE 121 Ca 0.09 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.52 1x84 s PHE 121 Cb -0.12 -1.38 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 1x84 s PHE 121 CO 0.02 0.09 -0.03 0.00 0.70 0.00 0.00 175.22 176.00 1x84 s ALA 122 N -3.19 0.21 0.25 5.36 0.00 -0.41 -1.35 121.76 122.65 1x84 s ALA 122 Ca 0.36 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 1x84 s ALA 122 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1x84 s ALA 122 CO 0.16 -0.06 0.53 0.00 0.00 0.00 0.00 175.76 176.38 1x84 s ALA 123 N -0.92 -0.46 -0.11 0.00 0.00 -0.74 -1.07 121.76 118.46 1x84 s ALA 123 Ca -0.09 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 1x84 s ALA 123 Cb -0.07 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 1x84 s ALA 123 CO -0.00 -0.89 0.11 1.03 0.00 0.00 0.00 175.76 176.01 1x84 s ARG 124 N -3.99 3.34 0.39 0.00 1.81 -1.26 -1.48 118.95 117.76 1x84 s ARG 124 Ca 0.20 -0.19 -0.25 0.00 -1.72 0.00 0.00 55.73 53.77 1x84 s ARG 124 Cb -0.02 -3.10 -0.09 0.00 -0.45 0.00 0.00 34.95 31.29 1x84 s ARG 124 CO 0.08 0.76 1.06 0.95 -0.68 0.00 0.00 175.30 177.47 1x84 s THR 125 N -1.01 3.69 0.00 0.02 -4.23 -0.68 -0.79 115.64 112.65 1x84 s THR 125 Ca 0.15 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 62.00 1x84 s THR 125 Cb -0.12 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1x84 s THR 125 CO 0.04 0.05 0.80 0.35 -0.54 0.00 0.00 174.62 175.32 1x84 n THR 126 N 0.07 0.61 -4.11 3.99 -2.24 0.54 -4.53 114.28 108.61 1x84 n THR 126 Ca 0.04 -0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 1x84 n THR 126 Cb 0.49 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 69.35 1x84 n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x84 s SER 127 N -0.61 0.27 0.73 3.42 1.04 -1.24 -4.93 113.70 112.38 1x84 s SER 127 Ca 0.00 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.06 1x84 s SER 127 Cb 0.00 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1x84 s SER 127 CO 0.00 -1.03 1.07 0.00 0.98 0.00 0.00 173.24 174.26 1x84 s ALA 128 N -3.90 2.52 0.38 5.32 0.00 -1.26 -4.69 121.76 120.13 1x84 s ALA 128 Ca 0.32 0.10 -0.24 0.00 0.00 0.00 0.00 51.96 52.14 1x84 s ALA 128 Cb 0.03 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 1x84 s ALA 128 CO 0.13 -1.42 0.97 -0.51 0.00 0.00 0.00 175.76 174.94 1x84 s LEU 129 N -5.67 4.13 -0.26 0.00 1.43 -1.26 -4.50 118.68 112.55 1x84 s LEU 129 Ca 0.59 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 55.51 1x84 s LEU 129 Cb -0.15 -4.26 0.08 0.00 0.03 0.00 0.00 46.19 41.89 1x84 s LEU 129 CO 0.55 -0.29 0.06 -1.58 0.23 0.00 0.00 176.35 175.32 1x84 s GLN 130 N -2.59 0.81 0.10 1.70 0.74 0.11 -4.98 119.66 115.55 1x84 s GLN 130 Ca 0.57 -0.86 -0.30 0.00 0.05 0.00 0.00 55.36 54.81 1x84 s GLN 130 Cb -0.16 -2.11 -0.06 0.00 1.10 0.00 0.00 33.01 31.79 1x84 s GLN 130 CO 0.21 -0.83 1.02 0.42 -0.55 0.00 0.00 175.29 175.55 1x84 s ILE 131 N 1.66 4.38 -0.51 -2.34 -1.09 -1.26 -2.11 121.20 119.93 1x84 s ILE 131 Ca 0.04 1.92 -0.20 0.00 -2.23 0.00 0.00 60.65 60.18 1x84 s ILE 131 Cb -0.17 -4.22 0.05 0.00 -1.58 0.00 0.00 42.46 36.53 1x84 s ILE 131 CO -0.17 0.26 0.71 0.21 -1.23 0.00 0.00 174.94 174.71 1x84 s ASN 132 N 0.24 6.26 0.00 3.58 3.84 -0.50 -4.93 114.94 123.43 1x84 s ASN 132 Ca 0.49 -0.73 0.16 0.00 0.21 0.00 0.00 52.86 52.99 1x84 s ASN 132 Cb -0.25 -2.33 0.96 0.00 -0.55 0.00 0.00 41.25 39.08 1x84 s ASN 132 CO 0.31 -0.97 1.49 -0.90 -2.79 0.00 0.00 177.10 174.24 1x84 n ASP 133 N 6.50 0.00 0.05 -4.21 5.75 -1.26 -1.26 116.55 122.12 1x84 n ASP 133 Ca -0.04 -1.15 0.13 0.00 -0.01 0.00 0.00 54.79 53.72 1x84 n ASP 133 Cb 0.46 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 40.94 1x84 n ASP 133 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x84 n ASP 134 N -0.80 0.52 -0.03 -1.12 8.00 -1.26 -4.36 116.55 117.50 1x84 n ASP 134 Ca 0.12 0.34 -0.05 0.00 0.71 0.00 0.00 54.79 55.91 1x84 n ASP 134 Cb 0.06 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 1x84 n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x84 n GLU 135 N -1.92 0.16 -4.30 -1.24 -0.58 -0.39 -4.71 120.64 107.67 1x84 n GLU 135 Ca 0.05 0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.53 1x84 n GLU 135 Cb 0.39 -1.12 -0.16 0.00 -0.57 0.00 0.00 31.44 29.98 1x84 n GLU 135 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x84 s VAL 136 N -2.13 1.68 -0.68 2.62 1.01 -0.82 -0.99 120.40 121.09 1x84 s VAL 136 Ca -0.09 -0.73 0.20 0.00 0.00 0.00 0.00 61.98 61.37 1x84 s VAL 136 Cb 0.02 -1.54 -0.25 0.00 0.00 0.00 0.00 36.38 34.61 1x84 s VAL 136 CO 0.15 0.48 0.74 1.15 0.00 0.00 0.00 175.10 177.62 1x84 n MET 137 N 4.43 0.41 -3.57 2.72 0.00 -0.17 -4.25 117.12 116.69 1x84 n MET 137 Ca -0.19 -0.06 -0.07 0.00 0.00 0.00 0.00 57.70 57.39 1x84 n MET 137 Cb 0.51 -1.47 -0.02 0.00 0.00 0.00 0.00 33.22 32.24 1x84 n MET 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1x84 s ASP 138 N -3.35 -0.32 0.18 3.17 2.15 -1.23 -5.00 116.67 112.27 1x84 s ASP 138 Ca 0.03 -0.11 -0.23 0.00 0.43 0.00 0.00 52.55 52.67 1x84 s ASP 138 Cb 0.15 0.41 0.05 0.00 -0.30 0.00 0.00 42.92 43.23 1x84 s ASP 138 CO 0.84 -0.70 0.75 -0.72 -0.17 0.00 0.00 175.17 175.18 1x84 s TYR 139 N -3.17 -0.30 -0.11 -5.34 -0.85 -1.26 -0.52 117.35 105.79 1x84 s TYR 139 Ca 0.07 -0.01 -0.06 0.00 -0.52 0.00 0.00 57.07 56.55 1x84 s TYR 139 Cb -0.01 0.63 0.05 0.00 0.38 0.00 0.00 41.96 43.01 1x84 s TYR 139 CO -0.06 -0.95 0.26 -1.14 -1.52 0.00 0.00 175.55 172.14 1x84 s GLN 140 N -3.64 0.22 -0.15 -3.49 2.00 -0.25 -5.00 119.66 109.35 1x84 s GLN 140 Ca 0.08 0.55 -0.23 0.00 -2.00 0.00 0.00 55.36 53.76 1x84 s GLN 140 Cb -0.03 -0.11 -0.02 0.00 0.80 0.00 0.00 33.01 33.65 1x84 s GLN 140 CO -0.02 -0.16 0.71 -1.58 -0.50 0.00 0.00 175.29 173.74 1x84 s TRP 141 N 1.25 3.44 0.18 1.67 0.52 -1.26 -0.82 118.94 123.93 1x84 s TRP 141 Ca -0.09 1.12 -0.06 0.00 0.02 0.00 0.00 56.10 57.08 1x84 s TRP 141 Cb -0.10 -2.87 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 1x84 s TRP 141 CO -0.09 -0.12 0.23 0.00 0.02 0.00 0.00 176.95 176.99 1x84 s ASP 143 N -3.03 7.27 0.48 0.00 1.11 -1.26 -0.09 116.67 121.15 1x84 s ASP 143 Ca 0.24 1.93 0.18 0.00 0.18 0.00 0.00 52.55 55.08 1x84 s ASP 143 Cb 0.04 -2.59 1.21 0.00 1.07 0.00 0.00 42.92 42.65 1x84 s ASP 143 CO 0.04 -0.28 2.02 0.25 1.18 0.00 0.00 175.17 178.38 1x84 h LEU 144 N 6.07 0.17 -0.55 1.23 5.85 -1.92 -1.70 115.31 124.45 1x84 h LEU 144 Ca -0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1x84 h LEU 144 Cb 1.21 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1x84 h LEU 144 CO 0.76 0.10 0.34 0.00 -0.34 0.00 0.00 178.44 179.29 1x84 h ALA 145 N 1.77 0.71 -0.48 1.25 0.00 -1.98 -0.63 119.26 119.89 1x84 h ALA 145 Ca 0.22 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1x84 h ALA 145 Cb 0.61 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1x84 h ALA 145 CO -0.04 0.19 -0.10 -0.44 0.00 0.00 0.00 179.25 178.86 1x84 h ASP 146 N 0.75 0.92 -0.70 0.00 3.32 -1.72 -1.17 116.42 117.82 1x84 h ASP 146 Ca 0.20 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1x84 h ASP 146 Cb -0.02 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1x84 h ASP 146 CO -0.04 1.06 0.29 0.58 -1.72 0.00 0.00 179.24 179.41 1x84 h VAL 147 N 0.77 1.24 -0.66 -1.35 2.07 -1.02 0.08 116.25 117.38 1x84 h VAL 147 Ca 0.12 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1x84 h VAL 147 Cb 0.65 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1x84 h VAL 147 CO 0.04 0.30 0.29 -0.07 0.02 0.00 0.00 177.57 178.15 1x84 h LEU 148 N 0.99 0.90 -1.01 2.57 3.38 -0.97 0.20 115.31 121.38 1x84 h LEU 148 Ca 0.23 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1x84 h LEU 148 Cb 0.19 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1x84 h LEU 148 CO -0.02 0.80 0.66 0.45 0.09 0.00 0.00 178.44 180.42 1x84 h HIS 149 N 0.93 1.24 -0.09 1.13 3.86 -0.64 0.13 115.15 121.71 1x84 h HIS 149 Ca 0.22 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 1x84 h HIS 149 Cb 0.17 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 1x84 h HIS 149 CO 0.01 0.72 0.01 0.78 0.86 0.00 0.00 177.93 180.31 1x84 h GLY 150 N 1.29 0.16 0.89 2.45 0.00 -0.34 -1.81 103.07 105.70 1x84 h GLY 150 Ca 0.40 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.68 1x84 h GLY 150 CO -0.12 0.10 0.56 -2.22 0.00 0.00 0.00 176.54 174.87 1x84 h ILE 151 N -0.11 1.05 -0.18 2.60 2.04 -0.56 0.19 117.51 122.55 1x84 h ILE 151 Ca 0.03 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 1x84 h ILE 151 Cb 0.31 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1x84 h ILE 151 CO 0.00 0.18 -0.35 0.44 0.00 0.00 0.00 178.15 178.42 1x84 h ASP 152 N 0.96 0.38 0.08 1.72 3.32 -0.60 -2.95 116.42 119.33 1x84 h ASP 152 Ca 0.37 -0.15 -0.32 0.00 0.02 0.00 0.00 57.03 56.96 1x84 h ASP 152 Cb 0.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1x84 h ASP 152 CO -0.14 0.71 -1.72 0.00 -1.72 0.00 0.00 179.24 176.37 1x84 n ALA 153 N -2.48 0.84 -3.25 3.45 0.00 -0.69 -4.64 120.51 113.73 1x84 n ALA 153 Ca -0.01 -0.55 -0.25 0.00 0.00 0.00 0.00 53.44 52.63 1x84 n ALA 153 Cb 0.46 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 1x84 n ALA 153 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x84 n THR 154 N -3.86 0.79 0.16 0.00 -2.24 0.00 -4.95 114.28 104.18 1x84 n THR 154 Ca -0.32 -4.64 0.09 0.00 -2.27 0.00 0.00 64.05 56.91 1x84 n THR 154 Cb 0.91 -1.80 0.61 0.00 -2.10 0.00 0.00 70.33 67.94 1x84 n THR 154 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1x84 h PRO 155 N 3.88 0.11 0.00 -0.78 0.13 -1.67 -1.27 132.00 132.40 1x84 h PRO 155 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1x84 h PRO 155 Cb 0.78 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1x84 h PRO 155 CO 0.63 0.07 0.00 0.11 -0.23 0.00 0.00 178.00 178.58 1x84 h TRP 156 N 0.11 0.00 -0.00 1.56 5.08 -1.92 -1.59 115.95 119.19 1x84 h TRP 156 Ca 0.08 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.05 1x84 h TRP 156 Cb 0.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.34 1x84 h TRP 156 CO -0.00 0.00 -0.03 0.00 -1.28 0.00 0.00 178.44 177.13 1x84 n ALA 157 N -1.81 2.50 -2.46 0.11 0.00 -0.48 -4.86 120.51 113.51 1x84 n ALA 157 Ca -0.01 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 1x84 n ALA 157 Cb 0.08 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.97 1x84 n ALA 157 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x84 s PHE 158 N -2.75 2.05 0.50 0.00 0.08 -0.60 -4.37 117.98 112.89 1x84 s PHE 158 Ca 0.22 -0.67 -0.23 0.00 0.12 0.00 0.00 56.93 56.37 1x84 s PHE 158 Cb 0.20 -1.19 -0.06 0.00 -0.57 0.00 0.00 43.02 41.40 1x84 s PHE 158 CO 0.50 0.33 1.35 -1.54 -0.10 0.00 0.00 175.22 175.76 1x84 s SER 159 N -3.48 5.61 0.45 1.36 1.04 -0.07 -4.86 113.70 113.75 1x84 s SER 159 Ca 0.30 2.74 0.21 0.00 0.48 0.00 0.00 55.95 59.68 1x84 s SER 159 Cb 0.04 -2.64 1.08 0.00 0.10 0.00 0.00 66.02 64.61 1x84 s SER 159 CO 0.13 -1.34 1.94 1.55 0.98 0.00 0.00 173.24 176.51 1x84 h PRO 160 N 1.85 0.00 -0.22 4.02 0.13 -1.92 -1.67 132.00 134.18 1x84 h PRO 160 Ca -0.51 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.43 1x84 h PRO 160 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1x84 h PRO 160 CO 0.59 0.23 -0.64 -1.49 -0.23 0.00 0.00 178.00 176.46 1x84 h TRP 161 N 0.00 1.01 -0.39 1.56 4.06 -1.99 -1.02 115.95 119.18 1x84 h TRP 161 Ca -0.00 -0.39 0.01 0.00 2.06 0.00 0.00 58.89 60.57 1x84 h TRP 161 Cb 0.51 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 1x84 h TRP 161 CO 0.00 1.21 0.24 1.98 -3.56 0.00 0.00 178.44 178.31 1x84 h MET 162 N 0.58 0.47 0.17 0.49 4.05 -1.81 -1.68 114.93 117.19 1x84 h MET 162 Ca -0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1x84 h MET 162 Cb 1.24 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1x84 h MET 162 CO 0.13 0.31 -0.08 0.28 0.23 0.00 0.00 176.91 177.78 1x84 h VAL 163 N 0.48 0.85 -0.83 -5.77 2.07 -1.18 -1.24 116.25 110.64 1x84 h VAL 163 Ca 0.15 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1x84 h VAL 163 Cb -0.02 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1x84 h VAL 163 CO -0.06 0.02 0.54 0.24 0.02 0.00 0.00 177.57 178.33 1x84 h MET 164 N -0.26 0.93 -0.02 1.57 2.86 -1.14 0.17 114.93 119.04 1x84 h MET 164 Ca -0.02 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1x84 h MET 164 Cb 0.20 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1x84 h MET 164 CO 0.04 0.62 -0.01 1.96 1.06 0.00 0.00 176.91 180.58 1x84 h GLN 165 N 0.96 0.04 0.00 1.72 4.20 -1.06 -2.93 115.11 118.04 1x84 h GLN 165 Ca 0.34 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1x84 h GLN 165 Cb 0.14 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1x84 h GLN 165 CO -0.11 0.42 0.00 0.00 -0.67 0.00 0.00 178.83 178.47 1x84 h ALA 166 N 0.62 1.00 0.00 3.87 0.00 -0.80 -2.48 119.26 121.47 1x84 h ALA 166 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x84 h ALA 166 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x84 h ALA 166 CO 0.00 0.00 -0.86 0.25 0.00 0.00 0.00 179.25 178.64 1x84 n THR 167 N -2.99 0.22 -1.78 0.00 -2.24 0.01 -4.50 114.28 103.00 1x84 n THR 167 Ca -0.00 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1x84 n THR 167 Cb 0.22 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 1x84 n THR 167 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1x84 s ASN 168 N -3.96 6.52 0.13 3.42 3.84 -0.93 -4.92 114.94 119.04 1x84 s ASN 168 Ca 0.05 2.55 -0.32 0.00 0.21 0.00 0.00 52.86 55.35 1x84 s ASN 168 Cb 0.14 -2.53 -0.10 0.00 -0.55 0.00 0.00 41.25 38.21 1x84 s ASN 168 CO 0.77 -1.01 1.53 -0.09 -2.79 0.00 0.00 177.10 175.51 1x84 h ARG 169 N 10.10 -0.30 -0.14 0.43 1.12 -1.88 -0.99 114.38 122.72 1x84 h ARG 169 Ca -0.46 0.02 0.03 0.00 -1.11 0.00 0.00 59.98 58.45 1x84 h ARG 169 Cb 1.22 0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 31.22 1x84 h ARG 169 CO 0.94 -0.20 -0.02 0.93 -3.11 0.00 0.00 179.97 178.51 1x84 h GLU 170 N -0.31 0.02 -0.68 0.20 3.07 -1.94 -1.15 114.58 113.79 1x84 h GLU 170 Ca 0.09 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.04 1x84 h GLU 170 Cb 0.54 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.38 1x84 h GLU 170 CO -0.65 0.01 0.32 0.00 -1.40 0.00 0.00 179.01 177.30 1x84 h ALA 171 N 1.13 0.92 -0.62 3.43 0.00 -1.66 0.26 119.26 122.73 1x84 h ALA 171 Ca 0.07 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1x84 h ALA 171 Cb 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1x84 h ALA 171 CO -0.13 -0.09 0.11 -0.09 0.00 0.00 0.00 179.25 179.05 1x84 h ARG 172 N 0.55 1.01 -0.11 0.00 2.43 -0.65 0.15 114.38 117.77 1x84 h ARG 172 Ca 0.34 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1x84 h ARG 172 Cb 0.37 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 1x84 h ARG 172 CO -0.27 0.93 -0.51 -0.22 -1.51 0.00 0.00 179.97 178.39 1x84 h LYS 173 N 0.95 -0.54 0.00 0.20 3.11 0.05 -1.13 116.57 119.21 1x84 h LYS 173 Ca 0.19 0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.99 1x84 h LYS 173 Cb 0.41 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1x84 h LYS 173 CO 0.01 -0.36 -0.36 0.00 -2.81 0.00 0.00 179.45 175.93 1x84 h ARG 174 N -0.56 0.00 -0.27 1.90 3.08 0.21 -2.73 114.38 116.01 1x84 h ARG 174 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1x84 h ARG 174 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1x84 h ARG 174 CO -0.40 0.36 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.53 1x84 h LEU 175 N 0.00 0.70 -1.35 3.04 3.38 -0.51 -3.02 115.31 117.55 1x84 h LEU 175 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1x84 h LEU 175 Cb 0.73 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1x84 h LEU 175 CO 0.05 1.02 0.10 0.28 0.09 0.00 0.00 178.44 179.99 1x84 h SER 176 N 0.38 0.00 0.89 -0.43 0.02 -0.89 -0.68 113.55 112.84 1x84 h SER 176 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1x84 h SER 176 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1x84 h SER 176 CO 0.07 0.00 -0.43 0.00 -1.14 0.00 0.00 176.83 175.33 1x84 n ALA 177 N -1.73 2.90 1.65 3.77 0.00 -1.14 -3.80 120.51 122.17 1x84 n ALA 177 Ca -0.01 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.32 1x84 n ALA 177 Cb 0.14 -1.24 0.65 0.00 0.00 0.00 0.00 19.45 18.99 1x84 n ALA 177 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1x84 n PHE 178 N -1.92 0.00 0.68 0.00 3.01 -0.26 -5.16 117.46 113.81 1x84 n PHE 178 Ca 0.05 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.59 1x84 n PHE 178 Cb 0.40 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.94 1x84 n PHE 178 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02