#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x84 n HIS 5 N 0.00 -0.42 -4.37 4.31 1.44 -1.26 -1.81 115.22 113.11 1x84 n HIS 5 Ca 0.00 -2.49 -0.26 0.00 -2.01 0.00 0.00 57.72 52.96 1x84 n HIS 5 Cb 0.00 0.17 -0.12 0.00 0.12 0.00 0.00 29.99 30.16 1x84 n HIS 5 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1x84 s VAL 6 N -3.13 2.09 -0.44 0.61 -7.23 0.64 -4.62 120.40 108.33 1x84 s VAL 6 Ca 0.30 -1.85 -0.21 0.00 -1.81 0.00 0.00 61.98 58.41 1x84 s VAL 6 Cb 0.01 -1.93 0.02 0.00 0.56 0.00 0.00 36.38 35.05 1x84 s VAL 6 CO 0.21 -0.10 0.63 -0.63 -0.31 0.00 0.00 175.10 174.90 1x84 s ILE 7 N -1.52 4.84 0.30 -0.62 -1.09 -1.26 -1.59 121.20 120.25 1x84 s ILE 7 Ca 0.15 0.09 -0.28 0.00 -2.23 0.00 0.00 60.65 58.38 1x84 s ILE 7 Cb -0.08 -4.20 -0.09 0.00 -1.58 0.00 0.00 42.46 36.51 1x84 s ILE 7 CO 0.07 -0.59 1.07 -0.76 -1.23 0.00 0.00 174.94 173.50 1x84 s LEU 8 N 2.79 4.48 0.13 2.97 1.43 -0.30 -0.94 118.68 129.24 1x84 s LEU 8 Ca 0.22 2.18 0.07 0.00 -1.03 0.00 0.00 54.13 55.57 1x84 s LEU 8 Cb -0.14 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1x84 s LEU 8 CO 0.19 -0.17 -0.17 -0.76 0.23 0.00 0.00 176.35 175.67 1x84 s LEU 9 N -1.66 2.39 0.00 1.79 1.43 -0.52 -1.33 118.68 120.78 1x84 s LEU 9 Ca 0.47 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1x84 s LEU 9 Cb -0.29 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1x84 s LEU 9 CO 0.37 -0.06 0.00 -0.46 0.23 0.00 0.00 176.35 176.42 1x84 n ASN 10 N 0.57 0.00 -0.25 2.29 2.04 -0.51 -4.48 115.26 114.92 1x84 n ASN 10 Ca -0.16 -0.51 -0.07 0.00 -0.44 0.00 0.00 54.58 53.41 1x84 n ASN 10 Cb 0.56 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.75 1x84 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1x84 n ALA 11 N -3.00 -0.38 -1.07 -2.53 0.00 -1.26 -4.37 120.51 107.89 1x84 n ALA 11 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1x84 n ALA 11 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1x84 n ALA 11 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x84 n GLN 12 N -4.39 1.00 -1.87 0.00 -0.06 -1.26 -4.89 117.38 105.91 1x84 n GLN 12 Ca 0.01 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.65 1x84 n GLN 12 Cb 0.16 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.34 1x84 n GLN 12 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1x84 n GLY 13 N 5.00 5.22 3.45 1.69 0.00 -1.26 -4.94 105.19 114.36 1x84 n GLY 13 Ca 0.00 -2.30 -0.33 0.00 0.00 0.00 0.00 46.02 43.39 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 -3.99 3.19 0.39 1.61 1.01 -1.26 -4.89 120.40 116.46 1x84 s VAL 14 Ca 0.53 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 1x84 s VAL 14 Cb 0.39 -2.30 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 1x84 s VAL 14 CO -0.32 0.56 1.42 -2.84 0.00 0.00 0.00 175.10 173.93 1x84 s PRO 15 N -0.27 4.03 0.00 2.72 0.02 -1.26 -1.43 135.00 138.82 1x84 s PRO 15 Ca 0.02 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1x84 s PRO 15 Cb -0.13 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1x84 s PRO 15 CO 0.03 -0.54 0.16 0.25 -0.33 0.00 0.00 177.00 176.57 1x84 n THR 16 N 0.32 0.00 -2.63 0.99 -2.24 -0.44 -4.90 114.28 105.38 1x84 n THR 16 Ca 0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1x84 n THR 16 Cb 0.41 1.37 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 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 0.14 -0.79 3.46 3.38 0.00 -1.25 -5.01 105.19 105.12 1x84 n GLY 17 Ca 0.00 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.64 1.28 -0.21 2.61 -4.23 -1.26 -1.14 115.64 110.05 1x84 s THR 18 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 1x84 s THR 18 Cb 0.00 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 71.10 1x84 s THR 18 CO 0.00 -0.01 0.53 -0.22 -0.54 0.00 0.00 174.62 174.38 1x84 s LEU 19 N -3.50 -0.27 0.22 4.79 0.20 -0.62 -4.87 118.68 114.63 1x84 s LEU 19 Ca 0.36 1.12 -0.30 0.00 0.69 0.00 0.00 54.13 56.00 1x84 s LEU 19 Cb 0.09 1.80 -0.15 0.00 -0.43 0.00 0.00 46.19 47.50 1x84 s LEU 19 CO 0.16 -0.20 1.01 1.21 -0.29 0.00 0.00 176.35 178.24 1x84 n GLU 20 N 3.61 1.08 0.01 1.98 0.00 -1.26 -0.26 120.64 125.80 1x84 n GLU 20 Ca -0.18 0.38 -0.13 0.00 0.00 0.00 0.00 57.16 57.23 1x84 n GLU 20 Cb 0.57 -1.76 -0.09 0.00 0.00 0.00 0.00 31.44 30.15 1x84 n GLU 20 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1x84 h LYS 21 N 2.46 -0.04 0.82 5.31 3.64 -1.62 -0.02 116.57 127.13 1x84 h LYS 21 Ca -0.40 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1x84 h LYS 21 Cb 1.36 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1x84 h LYS 21 CO 0.64 0.35 -0.48 -0.92 -2.27 0.00 0.00 179.45 176.77 1x84 h TYR 22 N -0.43 -1.28 -1.29 1.91 3.20 -1.91 -2.13 116.97 115.04 1x84 h TYR 22 Ca -0.00 -0.02 0.37 0.00 3.14 0.00 0.00 58.73 62.22 1x84 h TYR 22 Cb 0.41 0.45 -0.06 0.00 1.54 0.00 0.00 36.73 39.07 1x84 h TYR 22 CO 0.06 -0.73 0.91 0.00 -1.64 0.00 0.00 178.16 176.76 1x84 h ALA 23 N -1.23 3.11 0.00 1.82 0.00 -1.95 -0.07 119.26 120.94 1x84 h ALA 23 Ca -0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1x84 h ALA 23 Cb 0.96 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1x84 h ALA 23 CO 0.12 -1.51 -0.33 0.00 0.00 0.00 0.00 179.25 177.54 1x84 h ALA 24 N 1.38 0.90 -2.19 0.00 0.00 -0.30 -3.41 119.26 115.64 1x84 h ALA 24 Ca 0.64 -0.30 -0.76 0.00 0.00 0.00 0.00 54.91 54.49 1x84 h ALA 24 Cb 2.42 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 19.91 1x84 h ALA 24 CO -0.06 0.41 -0.20 -1.01 0.00 0.00 0.00 179.25 178.39 1x84 s HIS 25 N -3.39 3.31 0.00 0.00 3.76 -0.04 -4.41 115.29 114.52 1x84 s HIS 25 Ca 0.02 -1.39 0.00 0.00 -0.15 0.00 0.00 55.06 53.54 1x84 s HIS 25 Cb 0.09 -3.79 0.00 0.00 1.11 0.00 0.00 32.58 30.00 1x84 s HIS 25 CO 0.68 -1.02 0.00 0.25 -0.85 0.00 0.00 174.74 173.81 1x84 n THR 26 N 5.10 0.00 1.20 1.30 -2.24 -1.26 -4.89 114.28 113.49 1x84 n THR 26 Ca -0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1x84 n THR 26 Cb 0.41 0.00 0.66 0.00 -2.10 0.00 0.00 70.33 69.29 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 2.32 -2.47 6.98 0.00 -1.26 -1.22 120.51 121.86 1x84 n ALA 27 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1x84 n ALA 27 Cb 0.00 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.33 2.91 -4.66 0.00 8.00 -1.26 -4.73 116.55 115.47 1x84 n ASP 28 Ca 0.11 -2.76 -0.48 0.00 0.71 0.00 0.00 54.79 52.37 1x84 n ASP 28 Cb 0.23 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 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 -0.62 0.19 -2.40 -3.53 -1.04 -1.25 -4.99 114.28 100.64 1x84 n THR 29 Ca 0.22 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.90 1x84 n THR 29 Cb 0.88 -1.50 -0.00 0.00 -1.82 0.00 0.00 70.33 67.88 1x84 n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x84 s ARG 30 N 1.95 3.62 0.32 -2.82 1.70 -1.26 -4.70 118.95 117.76 1x84 s ARG 30 Ca 0.85 0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 56.28 1x84 s ARG 30 Cb -0.75 -2.27 -0.12 0.00 -0.57 0.00 0.00 34.95 31.25 1x84 s ARG 30 CO 0.45 -0.31 1.54 -0.11 -1.08 0.00 0.00 175.30 175.80 1x84 n LEU 31 N -2.25 4.41 -3.86 -1.89 7.94 -1.26 -4.66 117.00 115.44 1x84 n LEU 31 Ca 0.03 1.18 -0.08 0.00 -1.11 0.00 0.00 56.01 56.03 1x84 n LEU 31 Cb 0.55 -1.59 -0.01 0.00 0.53 0.00 0.00 43.42 42.89 1x84 n LEU 31 CO 0.54 0.10 0.46 -1.38 -1.11 0.00 0.00 177.39 175.99 1x84 s HIS 32 N -0.41 -0.03 -0.01 1.96 -3.43 -0.90 -1.43 115.29 111.03 1x84 s HIS 32 Ca 0.60 -0.47 -0.19 0.00 -0.80 0.00 0.00 55.06 54.21 1x84 s HIS 32 Cb -0.50 0.69 -0.06 0.00 -1.43 0.00 0.00 32.58 31.28 1x84 s HIS 32 CO 0.54 -1.31 0.53 -1.17 -2.00 0.00 0.00 174.74 171.33 1x84 s LEU 33 N -2.98 4.43 0.29 5.38 2.96 -0.12 -1.50 118.68 127.15 1x84 s LEU 33 Ca 0.14 1.08 0.02 0.00 -0.22 0.00 0.00 54.13 55.14 1x84 s LEU 33 Cb -0.05 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 1x84 s LEU 33 CO 0.09 0.17 0.28 0.00 -1.32 0.00 0.00 176.35 175.57 1x84 s ALA 34 N -0.46 1.35 0.11 5.97 0.00 -0.34 -4.25 121.76 124.14 1x84 s ALA 34 Ca 0.28 -1.80 -0.00 0.00 0.00 0.00 0.00 51.96 50.43 1x84 s ALA 34 Cb -0.18 1.38 -0.04 0.00 0.00 0.00 0.00 23.12 24.28 1x84 s ALA 34 CO 0.16 -0.67 0.01 -0.59 0.00 0.00 0.00 175.76 174.66 1x84 s PHE 35 N -3.63 0.80 0.00 0.00 -0.12 0.36 -3.63 117.98 111.76 1x84 s PHE 35 Ca 0.38 -1.13 0.02 0.00 -0.05 0.00 0.00 56.93 56.14 1x84 s PHE 35 Cb 0.03 -0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 1x84 s PHE 35 CO 0.21 -0.41 -0.05 0.45 -0.05 0.00 0.00 175.22 175.37 1x84 s SER 36 N -3.02 0.59 0.05 1.98 0.15 -0.81 -1.75 113.70 110.89 1x84 s SER 36 Ca 0.18 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.71 1x84 s SER 36 Cb 0.07 -0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1x84 s SER 36 CO -0.02 0.02 -0.12 -0.55 1.20 0.00 0.00 173.24 173.76 1x84 s SER 37 N -0.32 1.42 -0.19 5.45 0.15 0.14 -0.40 113.70 119.94 1x84 s SER 37 Ca 0.00 -0.51 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 1x84 s SER 37 Cb -0.03 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1x84 s SER 37 CO -0.00 -0.06 -0.15 0.26 1.20 0.00 0.00 173.24 174.49 1x84 s TRP 38 N -1.08 2.84 -0.06 3.44 0.52 -0.17 -2.37 118.94 122.06 1x84 s TRP 38 Ca -0.02 -1.40 0.03 0.00 0.02 0.00 0.00 56.10 54.73 1x84 s TRP 38 Cb -0.09 -1.98 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1x84 s TRP 38 CO 0.01 -0.72 -0.14 -0.51 0.02 0.00 0.00 176.95 175.62 1x84 s LEU 39 N 1.35 2.76 -0.01 2.99 1.43 -1.26 -1.55 118.68 124.38 1x84 s LEU 39 Ca 0.05 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1x84 s LEU 39 Cb -0.13 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1x84 s LEU 39 CO -0.10 0.32 -0.19 -0.36 0.23 0.00 0.00 176.35 176.25 1x84 s PHE 40 N -0.56 1.70 0.70 0.29 0.40 -0.66 -0.71 117.98 119.14 1x84 s PHE 40 Ca 0.08 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 55.99 1x84 s PHE 40 Cb -0.11 -1.09 0.16 0.00 0.51 0.00 0.00 43.02 42.48 1x84 s PHE 40 CO 0.01 -0.02 0.96 0.27 0.70 0.00 0.00 175.22 177.14 1x84 n ASN 41 N 2.56 0.33 0.24 1.36 0.23 -0.20 -1.24 115.26 118.54 1x84 n ASN 41 Ca -0.15 -1.50 0.07 0.00 -0.53 0.00 0.00 54.58 52.46 1x84 n ASN 41 Cb 0.53 -0.71 0.57 0.00 -2.08 0.00 0.00 39.78 38.09 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 -1.51 1.71 0.00 -2.53 0.00 -1.83 -0.91 119.26 114.20 1x84 h ALA 42 Ca -0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1x84 h ALA 42 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x84 h ALA 42 CO 0.24 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.29 1x84 n LYS 43 N -4.28 0.20 -0.42 0.00 4.01 -1.26 -0.08 118.16 116.32 1x84 n LYS 43 Ca -0.03 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1x84 n LYS 43 Cb 0.21 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 1x84 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x84 n GLY 44 N 1.01 0.77 3.80 0.72 0.00 -0.35 -4.21 105.19 106.93 1x84 n GLY 44 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.58 4.12 -0.03 1.61 -0.21 -1.26 -4.29 119.66 119.02 1x84 s GLN 45 Ca 0.00 1.28 -0.16 0.00 0.02 0.00 0.00 55.36 56.50 1x84 s GLN 45 Cb 0.00 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 1x84 s GLN 45 CO 0.00 -0.14 0.42 -1.17 -2.12 0.00 0.00 175.29 172.28 1x84 s LEU 46 N -3.07 4.42 -0.40 2.90 2.96 0.10 -1.03 118.68 124.55 1x84 s LEU 46 Ca 0.62 0.91 -0.25 0.00 -0.22 0.00 0.00 54.13 55.19 1x84 s LEU 46 Cb -0.14 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.95 1x84 s LEU 46 CO 0.19 0.23 0.91 -0.22 -1.32 0.00 0.00 176.35 176.14 1x84 s LEU 47 N -0.57 4.01 -0.07 -0.68 2.96 0.11 -1.51 118.68 122.93 1x84 s LEU 47 Ca 0.24 0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 54.47 1x84 s LEU 47 Cb -0.16 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 1x84 s LEU 47 CO 0.12 -0.92 0.16 -0.69 -1.32 0.00 0.00 176.35 173.70 1x84 s VAL 48 N 3.54 5.47 0.18 1.68 1.01 0.25 -3.36 120.40 129.18 1x84 s VAL 48 Ca 0.37 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.47 1x84 s VAL 48 Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1x84 s VAL 48 CO 0.21 0.50 -0.13 0.42 0.00 0.00 0.00 175.10 176.10 1x84 s THR 49 N -1.15 1.54 -0.26 3.92 -4.23 -0.67 -1.55 115.64 113.23 1x84 s THR 49 Ca 0.20 -2.11 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 1x84 s THR 49 Cb -0.12 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.80 1x84 s THR 49 CO 0.10 -0.61 -0.01 -0.60 -0.54 0.00 0.00 174.62 172.96 1x84 s ARG 50 N -3.55 2.99 0.36 3.99 3.52 0.17 -0.46 118.95 125.98 1x84 s ARG 50 Ca 0.19 -0.89 -0.28 0.00 -0.13 0.00 0.00 55.73 54.62 1x84 s ARG 50 Cb -0.00 -3.13 -0.12 0.00 -1.56 0.00 0.00 34.95 30.15 1x84 s ARG 50 CO 0.05 -0.39 1.38 0.54 -0.81 0.00 0.00 175.30 176.06 1x84 n ARG 51 N 4.75 2.36 -1.03 5.12 1.74 -0.41 -0.73 116.66 128.46 1x84 n ARG 51 Ca -0.16 0.83 -0.32 0.00 -0.77 0.00 0.00 57.85 57.43 1x84 n ARG 51 Cb 0.48 -2.48 0.13 0.00 -1.02 0.00 0.00 32.46 29.56 1x84 n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x84 s ALA 52 N -1.11 1.85 -0.51 7.54 0.00 -0.40 -1.08 121.76 128.06 1x84 s ALA 52 Ca 0.55 0.55 0.22 0.00 0.00 0.00 0.00 51.96 53.28 1x84 s ALA 52 Cb -0.52 -3.40 0.95 0.00 0.00 0.00 0.00 23.12 20.15 1x84 s ALA 52 CO 0.63 -2.26 1.66 1.28 0.00 0.00 0.00 175.76 177.07 1x84 n LEU 53 N -3.69 0.57 -0.17 0.00 4.77 -1.26 -2.40 117.00 114.83 1x84 n LEU 53 Ca 0.11 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.88 1x84 n LEU 53 Cb 0.52 -0.60 0.36 0.00 -2.33 0.00 0.00 43.42 41.37 1x84 n LEU 53 CO 0.50 -0.58 0.62 -1.54 -1.33 0.00 0.00 177.39 175.06 1x84 n SER 54 N -2.15 0.83 -4.77 -1.43 3.41 -1.26 -4.77 113.62 103.48 1x84 n SER 54 Ca 0.02 -0.67 -0.40 0.00 -0.26 0.00 0.00 58.87 57.56 1x84 n SER 54 Cb 0.19 0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.64 3.80 0.22 4.33 -0.14 -1.01 -4.90 119.74 119.40 1x84 s LYS 55 Ca 0.21 2.27 0.02 0.00 -1.36 0.00 0.00 55.97 57.11 1x84 s LYS 55 Cb 0.19 -2.68 0.19 0.00 -1.68 0.00 0.00 37.83 33.84 1x84 s LYS 55 CO 0.57 -0.67 1.53 -0.22 -0.76 0.00 0.00 175.35 175.79 1x84 h LYS 56 N 2.45 0.34 -6.15 1.68 3.64 -1.91 -3.36 116.57 113.26 1x84 h LYS 56 Ca -0.50 -0.23 -0.69 0.00 -1.27 0.00 0.00 60.65 57.96 1x84 h LYS 56 Cb 1.26 0.04 -0.28 0.00 -0.41 0.00 0.00 32.23 32.83 1x84 h LYS 56 CO 0.62 0.84 -0.84 0.00 -2.27 0.00 0.00 179.45 177.80 1x84 s ALA 57 N -3.79 2.37 -1.24 5.00 0.00 -1.26 -4.69 121.76 118.15 1x84 s ALA 57 Ca -0.05 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 50.62 1x84 s ALA 57 Cb 0.12 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.47 1x84 s ALA 57 CO 0.81 0.46 0.50 0.91 0.00 0.00 0.00 175.76 178.45 1x84 n TRP 58 N 2.72 -1.28 -2.10 0.00 8.01 -1.26 -4.93 117.44 118.60 1x84 n TRP 58 Ca -0.17 0.16 -0.37 0.00 -1.31 0.00 0.00 57.50 55.81 1x84 n TRP 58 Cb 0.52 -2.63 0.01 0.00 -2.01 0.00 0.00 31.31 27.20 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 -7.36 3.35 -0.75 -0.99 0.04 -1.26 -3.22 135.00 124.82 1x84 s PRO 59 Ca 0.37 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1x84 s PRO 59 Cb -0.21 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1x84 s PRO 59 CO 0.94 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1x84 n GLY 60 N 0.48 0.88 3.71 0.56 0.00 -0.24 -4.91 105.19 105.67 1x84 n GLY 60 Ca 0.10 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.11 4.55 0.14 1.61 1.01 -1.20 -4.79 120.40 119.61 1x84 s VAL 61 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 1x84 s VAL 61 Cb 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 1x84 s VAL 61 CO 0.00 0.60 0.93 0.26 0.00 0.00 0.00 175.10 176.89 1x84 s TRP 62 N -0.82 3.85 0.20 5.22 0.52 -1.26 -1.29 118.94 125.35 1x84 s TRP 62 Ca 0.13 1.79 -0.06 0.00 0.02 0.00 0.00 56.10 57.97 1x84 s TRP 62 Cb -0.12 -3.00 0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1x84 s TRP 62 CO 0.03 0.29 0.37 -2.37 0.02 0.00 0.00 176.95 175.29 1x84 n THR 63 N 2.42 0.00 -0.97 2.01 5.66 0.40 -0.95 114.28 122.85 1x84 n THR 63 Ca 0.00 -0.60 -0.05 0.00 -3.05 0.00 0.00 64.05 60.35 1x84 n THR 63 Cb 0.49 0.52 0.04 0.00 -1.55 0.00 0.00 70.33 69.83 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 -1.41 -0.37 0.06 1.09 0.23 -1.26 -1.66 115.26 111.94 1x84 n ASN 64 Ca -0.03 -0.93 -0.13 0.00 -0.53 0.00 0.00 54.58 52.96 1x84 n ASN 64 Cb 0.31 -0.17 -0.08 0.00 -2.08 0.00 0.00 39.78 37.75 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 -0.61 -0.11 -4.19 0.53 0.02 -1.53 -3.33 113.55 104.34 1x84 h SER 65 Ca -0.07 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 1x84 h SER 65 Cb 0.20 0.03 -0.21 0.00 0.14 0.00 0.00 62.40 62.56 1x84 h SER 65 CO 0.05 0.16 0.10 0.54 -1.14 0.00 0.00 176.83 176.54 1x84 s VAL 66 N -5.13 0.00 0.10 2.27 0.11 -1.00 -4.72 120.40 112.03 1x84 s VAL 66 Ca -0.15 -0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1x84 s VAL 66 Cb 0.03 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1x84 s VAL 66 CO 0.64 -0.00 -0.01 0.00 -3.33 0.00 0.00 175.10 172.39 1x84 n GLY 68 N -0.03 0.65 2.81 0.00 0.00 -0.71 -4.99 105.19 102.91 1x84 n GLY 68 Ca -0.10 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 1.68 0.63 1.61 3.76 -1.26 -0.49 115.29 119.21 1x84 s HIS 69 Ca 0.00 -1.38 -0.19 0.00 -0.15 0.00 0.00 55.06 53.34 1x84 s HIS 69 Cb 0.00 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.28 1x84 s HIS 69 CO 0.00 -0.73 1.29 -2.14 -0.85 0.00 0.00 174.74 172.31 1x84 s PRO 70 N 1.64 2.70 0.38 8.40 0.02 -1.26 -4.97 135.00 141.90 1x84 s PRO 70 Ca -0.00 2.05 0.07 0.00 0.02 0.00 0.00 61.00 63.14 1x84 s PRO 70 Cb -0.18 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1x84 s PRO 70 CO -0.11 -1.48 0.42 -0.65 -0.33 0.00 0.00 177.00 174.84 1x84 s GLN 71 N -3.31 2.78 0.03 5.54 -1.52 -1.26 -4.41 119.66 117.51 1x84 s GLN 71 Ca 0.80 -1.29 -0.37 0.00 -1.95 0.00 0.00 55.36 52.56 1x84 s GLN 71 Cb -0.37 -2.59 -0.16 0.00 -0.22 0.00 0.00 33.01 29.68 1x84 s GLN 71 CO 0.40 -0.07 1.45 -0.11 -0.25 0.00 0.00 175.29 176.71 1x84 n LEU 72 N -1.58 2.00 0.00 2.90 7.94 -1.26 -0.88 117.00 126.11 1x84 n LEU 72 Ca 0.02 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 1x84 n LEU 72 Cb 0.60 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.33 1x84 n LEU 72 CO 0.42 -0.82 0.00 0.61 -1.11 0.00 0.00 177.39 176.48 1x84 n GLY 73 N 2.96 2.13 3.78 -3.96 0.00 -1.26 -5.02 105.19 103.82 1x84 n GLY 73 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.32 4.33 0.69 1.61 2.12 -0.06 -5.08 118.70 121.99 1x84 s GLU 74 Ca 0.00 0.83 -0.11 0.00 0.36 0.00 0.00 54.97 56.05 1x84 s GLU 74 Cb 0.00 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.09 1x84 s GLU 74 CO 0.00 0.47 1.06 -1.54 -0.54 0.00 0.00 175.26 174.71 1x84 s SER 75 N -0.58 5.54 0.35 -1.70 1.04 -1.26 -4.72 113.70 112.36 1x84 s SER 75 Ca 0.32 1.44 0.02 0.00 0.48 0.00 0.00 55.95 58.21 1x84 s SER 75 Cb -0.20 -2.34 0.64 0.00 0.10 0.00 0.00 66.02 64.22 1x84 s SER 75 CO 0.20 -1.32 2.01 0.78 0.98 0.00 0.00 173.24 175.89 1x84 h ASN 76 N -0.63 0.73 -0.01 7.02 -0.26 -1.98 -2.12 115.58 118.33 1x84 h ASN 76 Ca -0.44 -0.02 -0.15 0.00 -0.56 0.00 0.00 56.30 55.12 1x84 h ASN 76 Cb 1.22 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 38.29 1x84 h ASN 76 CO 0.60 0.53 -0.50 -0.33 -1.06 0.00 0.00 177.43 176.66 1x84 h GLU 77 N 0.86 0.58 -0.22 0.81 3.07 -1.96 -1.03 114.58 116.69 1x84 h GLU 77 Ca 0.24 -0.34 -0.11 0.00 -0.50 0.00 0.00 59.36 58.65 1x84 h GLU 77 Cb -0.09 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1x84 h GLU 77 CO -0.05 0.94 -0.31 -0.44 -1.40 0.00 0.00 179.01 177.75 1x84 h ASP 78 N 0.45 0.46 -0.42 1.42 3.32 -1.80 -1.14 116.42 118.71 1x84 h ASP 78 Ca 0.02 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1x84 h ASP 78 Cb 1.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1x84 h ASP 78 CO 0.10 0.75 0.18 0.00 -1.72 0.00 0.00 179.24 178.55 1x84 h ALA 79 N 1.28 0.55 -0.09 3.45 0.00 -1.01 0.18 119.26 123.62 1x84 h ALA 79 Ca 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1x84 h ALA 79 Cb 0.74 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1x84 h ALA 79 CO 0.06 0.14 -0.19 0.28 0.00 0.00 0.00 179.25 179.54 1x84 h VAL 80 N 0.54 0.53 -0.69 0.00 2.07 -0.87 -0.22 116.25 117.61 1x84 h VAL 80 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1x84 h VAL 80 Cb 0.17 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1x84 h VAL 80 CO -0.01 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.43 1x84 h ILE 81 N -0.26 1.15 -0.34 4.57 2.04 -0.80 -0.51 117.51 123.36 1x84 h ILE 81 Ca 0.08 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1x84 h ILE 81 Cb 0.38 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1x84 h ILE 81 CO -0.24 0.17 0.13 -0.09 0.00 0.00 0.00 178.15 178.12 1x84 h ARG 82 N 0.91 0.52 -0.02 2.37 2.43 -0.42 -2.30 114.38 117.87 1x84 h ARG 82 Ca 0.26 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 1x84 h ARG 82 Cb -0.07 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1x84 h ARG 82 CO -0.07 0.52 -0.64 0.00 -1.51 0.00 0.00 179.97 178.26 1x84 h ARG 83 N 0.40 0.09 -0.89 0.20 2.47 -0.74 0.16 114.38 116.07 1x84 h ARG 83 Ca 0.11 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1x84 h ARG 83 Cb 0.20 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.49 1x84 h ARG 83 CO -0.01 0.70 0.57 0.00 0.56 0.00 0.00 179.97 181.79 1x84 h ARG 85 N 1.21 0.59 -0.16 0.00 3.08 -0.96 -1.00 114.38 117.15 1x84 h ARG 85 Ca 0.32 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1x84 h ARG 85 Cb -0.11 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1x84 h ARG 85 CO -0.07 0.76 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.62 1x84 h TYR 86 N 0.37 0.35 0.01 3.04 3.20 -0.22 -0.39 116.97 123.33 1x84 h TYR 86 Ca 0.08 -0.08 -0.26 0.00 3.14 0.00 0.00 58.73 61.61 1x84 h TYR 86 Cb 0.52 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1x84 h TYR 86 CO 0.05 0.61 -1.46 0.93 -1.64 0.00 0.00 178.16 176.65 1x84 h GLU 87 N -0.00 0.01 0.00 1.82 5.08 -0.57 -3.40 114.58 117.52 1x84 h GLU 87 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1x84 h GLU 87 Cb 0.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x84 h GLU 87 CO 0.02 0.70 0.00 1.28 -1.00 0.00 0.00 179.01 180.01 1x84 n LEU 88 N -3.17 0.27 -1.34 1.33 4.77 -0.71 -1.00 117.00 117.15 1x84 n LEU 88 Ca -0.11 -0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 55.26 1x84 n LEU 88 Cb 1.01 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.03 1x84 n LEU 88 CO 0.46 0.07 -0.17 0.61 -1.33 0.00 0.00 177.39 177.03 1x84 n GLY 89 N 0.33 1.72 3.64 -0.72 0.00 -0.15 -0.81 105.19 109.20 1x84 n GLY 89 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.63 3.97 0.27 1.61 0.11 -0.84 -4.34 120.40 118.56 1x84 s VAL 90 Ca 0.00 -0.53 -0.22 0.00 -2.93 0.00 0.00 61.98 58.30 1x84 s VAL 90 Cb 0.00 -2.70 -0.09 0.00 -1.53 0.00 0.00 36.38 32.06 1x84 s VAL 90 CO 0.00 0.49 0.82 -1.61 -3.33 0.00 0.00 175.10 171.46 1x84 s GLU 91 N -1.19 4.36 0.16 1.54 0.41 -1.26 -3.63 118.70 119.08 1x84 s GLU 91 Ca 0.16 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.76 1x84 s GLU 91 Cb -0.11 -2.80 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 1x84 s GLU 91 CO 0.06 0.32 0.04 0.96 -0.49 0.00 0.00 175.26 176.15 1x84 s ILE 92 N -1.61 0.34 0.69 -1.63 -4.36 -1.26 -0.18 121.20 113.18 1x84 s ILE 92 Ca 0.47 -1.95 -0.11 0.00 -0.26 0.00 0.00 60.65 58.80 1x84 s ILE 92 Cb -0.17 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.41 1x84 s ILE 92 CO 0.21 -0.41 1.08 0.42 0.24 0.00 0.00 174.94 176.48 1x84 s THR 93 N -3.89 3.62 -0.07 8.37 -4.23 0.53 -4.83 115.64 115.14 1x84 s THR 93 Ca 0.26 0.48 -0.35 0.00 -1.18 0.00 0.00 61.69 60.90 1x84 s THR 93 Cb 0.07 -3.51 -0.13 0.00 1.34 0.00 0.00 72.50 70.27 1x84 s THR 93 CO 0.04 -0.67 1.80 -2.65 -0.54 0.00 0.00 174.62 172.60 1x84 n PRO 94 N -2.95 2.00 -1.84 3.99 -0.02 -1.26 -4.51 135.00 130.41 1x84 n PRO 94 Ca 0.07 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 1x84 n PRO 94 Cb 0.57 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 1x84 n PRO 94 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1x84 s PRO 95 N 3.38 4.17 -0.02 0.52 0.04 -1.26 -4.83 135.00 136.99 1x84 s PRO 95 Ca 0.91 2.49 -0.14 0.00 0.04 0.00 0.00 61.00 64.30 1x84 s PRO 95 Cb -0.75 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 1x84 s PRO 95 CO 0.51 -0.62 0.38 -2.00 0.04 0.00 0.00 177.00 175.31 1x84 s GLU 96 N 0.30 3.90 -0.26 4.56 2.12 0.38 -4.89 118.70 124.80 1x84 s GLU 96 Ca 0.67 0.34 -0.28 0.00 0.36 0.00 0.00 54.97 56.06 1x84 s GLU 96 Cb -0.46 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 30.70 1x84 s GLU 96 CO 0.39 0.66 1.01 0.45 -0.54 0.00 0.00 175.26 177.24 1x84 s SER 97 N -0.94 6.99 -0.00 -1.70 0.15 -1.26 -1.16 113.70 115.78 1x84 s SER 97 Ca 0.23 1.20 0.02 0.00 0.70 0.00 0.00 55.95 58.09 1x84 s SER 97 Cb -0.16 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 1x84 s SER 97 CO 0.12 -0.72 0.07 2.30 1.20 0.00 0.00 173.24 176.21 1x84 n ILE 98 N 5.50 0.00 -2.87 6.45 -5.35 0.22 -4.87 119.36 118.45 1x84 n ILE 98 Ca 0.11 -0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 1x84 n ILE 98 Cb 0.47 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.28 -3.04 0.25 4.28 4.19 -1.11 -3.76 117.16 116.70 1x84 n TYR 99 Ca 0.00 -1.91 0.15 0.00 3.31 0.00 0.00 57.90 59.45 1x84 n TYR 99 Cb 0.04 1.21 0.49 0.00 0.49 0.00 0.00 39.34 41.58 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 4.65 0.00 -0.46 2.98 0.13 -1.89 -2.23 132.00 135.17 1x84 h PRO 100 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1x84 h PRO 100 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1x84 h PRO 100 CO 0.20 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.58 1x84 n ASP 101 N -3.10 4.49 -4.73 1.44 5.75 -1.26 -4.39 116.55 114.74 1x84 n ASP 101 Ca 0.02 -2.71 -0.42 0.00 -0.01 0.00 0.00 54.79 51.67 1x84 n ASP 101 Cb 0.39 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 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 -2.30 3.15 -0.07 2.11 5.36 -1.16 -4.94 117.98 120.14 1x84 s PHE 102 Ca 0.46 0.95 -0.06 0.00 -0.96 0.00 0.00 56.93 57.31 1x84 s PHE 102 Cb 0.33 -3.76 0.02 0.00 -0.34 0.00 0.00 43.02 39.27 1x84 s PHE 102 CO 0.16 -2.60 0.18 0.50 -1.46 0.00 0.00 175.22 172.00 1x84 s ARG 103 N 0.52 0.20 0.03 10.12 3.00 -1.26 -0.37 118.95 131.19 1x84 s ARG 103 Ca 0.63 0.26 -0.28 0.00 -1.00 0.00 0.00 55.73 55.35 1x84 s ARG 103 Cb -0.40 0.08 0.07 0.00 0.00 0.00 0.00 34.95 34.70 1x84 s ARG 103 CO 0.35 -0.04 0.65 1.52 0.00 0.00 0.00 175.30 177.78 1x84 s TYR 104 N 0.19 -0.61 -0.03 5.12 -0.85 0.09 -4.97 117.35 116.28 1x84 s TYR 104 Ca -0.01 0.83 0.03 0.00 -0.52 0.00 0.00 57.07 57.40 1x84 s TYR 104 Cb -0.02 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.78 1x84 s TYR 104 CO -0.00 -0.70 -0.11 0.50 -1.52 0.00 0.00 175.55 173.72 1x84 s ARG 105 N -2.13 1.16 -0.17 -3.49 3.52 -1.26 -0.83 118.95 115.75 1x84 s ARG 105 Ca -0.07 -0.39 -0.22 0.00 -0.13 0.00 0.00 55.73 54.93 1x84 s ARG 105 Cb -0.00 -1.06 0.06 0.00 -1.56 0.00 0.00 34.95 32.38 1x84 s ARG 105 CO 0.01 0.15 0.58 0.00 -0.81 0.00 0.00 175.30 175.24 1x84 s ALA 106 N 0.13 -1.46 -0.17 6.12 0.00 -0.10 -5.00 121.76 121.28 1x84 s ALA 106 Ca -0.03 1.46 -0.08 0.00 0.00 0.00 0.00 51.96 53.31 1x84 s ALA 106 Cb -0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1x84 s ALA 106 CO 0.01 -0.30 0.10 0.99 0.00 0.00 0.00 175.76 176.56 1x84 s THR 107 N -0.16 5.12 0.77 0.00 2.01 -1.26 -0.85 115.64 121.28 1x84 s THR 107 Ca -0.04 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 1x84 s THR 107 Cb -0.03 -3.30 0.11 0.00 0.01 0.00 0.00 72.50 69.29 1x84 s THR 107 CO 0.03 0.49 1.09 1.51 -0.69 0.00 0.00 174.62 177.05 1x84 s ASP 108 N 0.08 4.30 0.25 3.53 -4.77 0.11 -4.92 116.67 115.24 1x84 s ASP 108 Ca 0.07 0.26 0.20 0.00 -3.30 0.00 0.00 52.55 49.78 1x84 s ASP 108 Cb -0.12 -0.71 0.96 0.00 -1.09 0.00 0.00 42.92 41.96 1x84 s ASP 108 CO -0.00 -1.93 1.60 -2.65 0.70 0.00 0.00 175.17 172.89 1x84 n PRO 109 N -3.12 0.14 -0.06 2.11 -0.02 -1.26 -1.66 135.00 131.13 1x84 n PRO 109 Ca 0.11 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1x84 n PRO 109 Cb 0.60 -1.86 0.08 0.00 -0.02 0.00 0.00 33.50 32.31 1x84 n PRO 109 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1x84 n SER 110 N -2.13 2.29 0.00 2.55 3.41 -1.26 -4.97 113.62 113.51 1x84 n SER 110 Ca 0.00 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1x84 n SER 110 Cb 0.11 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.65 0.88 3.74 5.00 0.00 -0.66 -5.09 105.19 109.71 1x84 n GLY 111 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 4.32 -0.11 -0.61 -1.09 -1.26 -4.21 121.20 116.24 1x84 s ILE 112 Ca 0.00 2.00 -0.02 0.00 -2.23 0.00 0.00 60.65 60.40 1x84 s ILE 112 Cb 0.00 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1x84 s ILE 112 CO 0.00 0.42 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.41 1x84 s VAL 113 N -0.64 4.02 -0.10 2.92 1.01 -0.36 0.06 120.40 127.30 1x84 s VAL 113 Ca 0.42 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1x84 s VAL 113 Cb -0.24 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1x84 s VAL 113 CO 0.30 0.56 -0.05 -1.61 0.00 0.00 0.00 175.10 174.30 1x84 s GLU 114 N -0.36 3.15 -0.31 2.72 0.41 -0.03 -4.46 118.70 119.82 1x84 s GLU 114 Ca 0.06 -0.52 -0.03 0.00 -0.41 0.00 0.00 54.97 54.08 1x84 s GLU 114 Cb -0.12 -2.74 0.11 0.00 -1.78 0.00 0.00 34.13 29.60 1x84 s GLU 114 CO 0.02 0.50 0.15 1.21 -0.49 0.00 0.00 175.26 176.66 1x84 s ASN 115 N -0.36 3.40 0.03 -0.19 2.47 -1.26 -0.92 114.94 118.11 1x84 s ASN 115 Ca 0.06 -1.58 0.00 0.00 0.42 0.00 0.00 52.86 51.76 1x84 s ASN 115 Cb -0.12 -0.40 -0.02 0.00 -1.45 0.00 0.00 41.25 39.26 1x84 s ASN 115 CO 0.02 -0.40 -0.04 -1.61 -3.72 0.00 0.00 177.10 171.35 1x84 s GLU 116 N 1.76 0.38 -0.40 0.43 2.02 -0.01 -2.13 118.70 120.75 1x84 s GLU 116 Ca 0.12 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.22 1x84 s GLU 116 Cb -0.18 0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.10 1x84 s GLU 116 CO -0.25 -0.04 0.60 0.08 0.02 0.00 0.00 175.26 175.67 1x84 s VAL 117 N -1.64 4.90 -0.49 2.63 1.01 -0.56 -0.74 120.40 125.50 1x84 s VAL 117 Ca -0.13 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1x84 s VAL 117 Cb -0.09 -4.11 0.20 0.00 0.00 0.00 0.00 36.38 32.38 1x84 s VAL 117 CO -0.01 -0.44 0.46 0.00 0.00 0.00 0.00 175.10 175.11 1x84 n PRO 119 N 2.09 1.55 -4.74 0.00 -0.04 -1.24 -4.50 135.00 128.13 1x84 n PRO 119 Ca 0.26 0.56 -0.33 0.00 -0.04 0.00 0.00 63.50 63.94 1x84 n PRO 119 Cb 0.46 -2.26 -0.12 0.00 -0.04 0.00 0.00 33.50 31.53 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 -1.28 3.39 0.32 0.52 1.01 -0.85 -1.92 120.40 121.59 1x84 s VAL 120 Ca 0.65 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1x84 s VAL 120 Cb -0.50 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 1x84 s VAL 120 CO 0.55 0.59 -0.05 -0.36 0.00 0.00 0.00 175.10 175.82 1x84 s PHE 121 N -0.64 2.19 0.02 5.22 0.40 0.46 -0.61 117.98 125.02 1x84 s PHE 121 Ca 0.10 -0.65 0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1x84 s PHE 121 Cb -0.11 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 1x84 s PHE 121 CO 0.01 0.38 -0.06 0.00 0.70 0.00 0.00 175.22 176.25 1x84 s ALA 122 N -2.86 0.49 0.25 5.36 0.00 -0.31 -1.00 121.76 123.69 1x84 s ALA 122 Ca 0.32 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1x84 s ALA 122 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1x84 s ALA 122 CO 0.15 0.05 0.45 0.00 0.00 0.00 0.00 175.76 176.41 1x84 s ALA 123 N -0.69 -0.09 -0.05 0.00 0.00 -0.60 -0.47 121.76 119.86 1x84 s ALA 123 Ca -0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 1x84 s ALA 123 Cb -0.06 1.10 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 1x84 s ALA 123 CO 0.00 -0.83 0.12 1.03 0.00 0.00 0.00 175.76 176.08 1x84 s ARG 124 N -3.97 3.30 0.16 0.00 1.81 -1.26 -1.65 118.95 117.33 1x84 s ARG 124 Ca 0.24 -0.31 -0.26 0.00 -1.72 0.00 0.00 55.73 53.69 1x84 s ARG 124 Cb -0.00 -3.04 -0.08 0.00 -0.45 0.00 0.00 34.95 31.39 1x84 s ARG 124 CO 0.10 0.71 0.79 0.95 -0.68 0.00 0.00 175.30 177.16 1x84 s THR 125 N -1.15 4.38 -0.02 0.02 -4.23 -0.38 -0.34 115.64 113.92 1x84 s THR 125 Ca 0.21 1.73 0.03 0.00 -1.18 0.00 0.00 61.69 62.48 1x84 s THR 125 Cb -0.12 -4.15 0.05 0.00 1.34 0.00 0.00 72.50 69.62 1x84 s THR 125 CO 0.11 0.51 0.99 0.35 -0.54 0.00 0.00 174.62 176.04 1x84 n THR 126 N 1.69 1.07 -4.14 3.99 -2.24 0.74 -4.47 114.28 110.93 1x84 n THR 126 Ca -0.05 -1.14 -0.12 0.00 -2.27 0.00 0.00 64.05 60.47 1x84 n THR 126 Cb 0.49 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.25 0.30 0.92 3.42 1.04 -1.24 -4.90 113.70 111.98 1x84 s SER 127 Ca 0.05 -1.30 -0.11 0.00 0.48 0.00 0.00 55.95 55.08 1x84 s SER 127 Cb 0.05 0.48 0.15 0.00 0.10 0.00 0.00 66.02 66.80 1x84 s SER 127 CO 0.01 -0.99 1.12 0.00 0.98 0.00 0.00 173.24 174.35 1x84 s ALA 128 N -3.94 1.35 0.32 5.32 0.00 -1.26 -4.74 121.76 118.80 1x84 s ALA 128 Ca 0.34 0.38 -0.09 0.00 0.00 0.00 0.00 51.96 52.59 1x84 s ALA 128 Cb 0.04 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 1x84 s ALA 128 CO 0.13 -2.71 0.64 -0.51 0.00 0.00 0.00 175.76 173.32 1x84 s LEU 129 N -6.54 4.01 -0.47 0.00 1.43 -1.26 -4.49 118.68 111.36 1x84 s LEU 129 Ca 0.66 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.73 1x84 s LEU 129 Cb -0.22 -3.77 0.15 0.00 0.03 0.00 0.00 46.19 42.38 1x84 s LEU 129 CO 0.58 -0.23 0.30 -1.10 0.23 0.00 0.00 176.35 176.13 1x84 s GLN 130 N -3.42 1.30 0.38 1.70 -1.52 0.01 -4.99 119.66 113.12 1x84 s GLN 130 Ca 0.48 -2.17 -0.28 0.00 -1.95 0.00 0.00 55.36 51.44 1x84 s GLN 130 Cb -0.11 -2.18 -0.11 0.00 -0.22 0.00 0.00 33.01 30.40 1x84 s GLN 130 CO 0.27 -1.24 1.45 0.42 -0.25 0.00 0.00 175.29 175.95 1x84 s ILE 131 N 0.07 2.15 -0.50 1.08 1.09 -1.25 -3.02 121.20 120.82 1x84 s ILE 131 Ca 0.22 0.15 -0.18 0.00 -1.10 0.00 0.00 60.65 59.74 1x84 s ILE 131 Cb -0.14 -3.09 0.06 0.00 -1.06 0.00 0.00 42.46 38.22 1x84 s ILE 131 CO -0.07 0.03 0.55 0.21 -0.10 0.00 0.00 174.94 175.57 1x84 s ASN 132 N -0.23 6.20 0.20 3.58 3.84 -0.17 -4.95 114.94 123.42 1x84 s ASN 132 Ca 0.53 -1.03 0.22 0.00 0.21 0.00 0.00 52.86 52.79 1x84 s ASN 132 Cb -0.45 -2.26 0.90 0.00 -0.55 0.00 0.00 41.25 38.89 1x84 s ASN 132 CO 0.61 -0.82 1.66 0.47 -2.79 0.00 0.00 177.10 176.24 1x84 n ASP 133 N 5.88 0.53 0.18 -4.21 8.00 -1.26 -0.34 116.55 125.33 1x84 n ASP 133 Ca -0.08 0.63 0.14 0.00 0.71 0.00 0.00 54.79 56.19 1x84 n ASP 133 Cb 0.45 -0.74 0.56 0.00 -0.02 0.00 0.00 41.12 41.36 1x84 n ASP 133 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1x84 h ASP 134 N 0.00 0.00 0.00 -2.24 3.32 -1.96 -3.36 116.42 112.18 1x84 h ASP 134 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1x84 h ASP 134 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1x84 h ASP 134 CO 0.00 0.00 -1.32 -0.62 -1.72 0.00 0.00 179.24 175.58 1x84 n GLU 135 N -2.56 1.78 -4.32 3.56 -0.58 0.54 -4.75 120.64 114.31 1x84 n GLU 135 Ca 0.02 0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.52 1x84 n GLU 135 Cb 0.27 -1.12 -0.17 0.00 -0.57 0.00 0.00 31.44 29.86 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 -2.11 1.10 -0.87 2.62 1.01 -0.09 -1.27 120.40 120.79 1x84 s VAL 136 Ca -0.05 -0.41 0.19 0.00 0.00 0.00 0.00 61.98 61.72 1x84 s VAL 136 Cb 0.02 -1.04 -0.22 0.00 0.00 0.00 0.00 36.38 35.13 1x84 s VAL 136 CO 0.16 0.36 0.81 1.15 0.00 0.00 0.00 175.10 177.58 1x84 n MET 137 N 4.25 0.54 -3.52 2.72 0.00 0.09 -4.15 117.12 117.05 1x84 n MET 137 Ca -0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 57.70 57.41 1x84 n MET 137 Cb 0.51 -1.43 -0.03 0.00 0.00 0.00 0.00 33.22 32.28 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 -2.94 -0.37 0.23 3.17 -1.08 -1.23 -4.98 116.67 109.48 1x84 s ASP 138 Ca 0.06 0.08 -0.16 0.00 -0.52 0.00 0.00 52.55 52.01 1x84 s ASP 138 Cb 0.15 0.37 0.01 0.00 -1.46 0.00 0.00 42.92 41.99 1x84 s ASP 138 CO 0.81 -0.57 0.54 -0.72 0.52 0.00 0.00 175.17 175.74 1x84 s TYR 139 N -2.77 0.06 -0.14 -5.34 -0.85 -1.26 -0.66 117.35 106.39 1x84 s TYR 139 Ca 0.04 -0.43 -0.14 0.00 -0.52 0.00 0.00 57.07 56.01 1x84 s TYR 139 Cb -0.01 0.37 0.04 0.00 0.38 0.00 0.00 41.96 42.74 1x84 s TYR 139 CO -0.07 -1.00 0.40 -1.14 -1.52 0.00 0.00 175.55 172.21 1x84 s GLN 140 N -3.94 0.50 -0.22 -3.49 2.00 -0.60 -5.00 119.66 108.90 1x84 s GLN 140 Ca 0.15 0.48 -0.17 0.00 -2.00 0.00 0.00 55.36 53.82 1x84 s GLN 140 Cb -0.02 0.24 -0.03 0.00 0.80 0.00 0.00 33.01 34.00 1x84 s GLN 140 CO 0.04 -0.07 0.45 -1.58 -0.50 0.00 0.00 175.29 173.62 1x84 s TRP 141 N 0.04 3.33 0.07 1.67 0.52 -1.26 -0.58 118.94 122.73 1x84 s TRP 141 Ca -0.02 0.63 -0.00 0.00 0.02 0.00 0.00 56.10 56.73 1x84 s TRP 141 Cb -0.03 -2.61 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 1x84 s TRP 141 CO 0.01 -0.12 -0.04 0.00 0.02 0.00 0.00 176.95 176.82 1x84 s ASP 143 N -2.96 7.16 0.29 0.00 1.01 -1.26 0.00 116.67 120.90 1x84 s ASP 143 Ca 0.09 1.93 0.03 0.00 0.71 0.00 0.00 52.55 55.31 1x84 s ASP 143 Cb 0.07 -2.58 0.63 0.00 1.01 0.00 0.00 42.92 42.06 1x84 s ASP 143 CO -0.08 -0.41 1.79 0.25 0.21 0.00 0.00 175.17 176.94 1x84 h LEU 144 N 6.74 0.79 -0.61 1.23 5.85 -1.93 -0.99 115.31 126.40 1x84 h LEU 144 Ca -0.42 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.45 1x84 h LEU 144 Cb 1.22 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 1x84 h LEU 144 CO 0.79 0.34 0.30 0.00 -0.34 0.00 0.00 178.44 179.53 1x84 h ALA 145 N 1.59 0.81 -0.23 1.25 0.00 -1.99 0.18 119.26 120.87 1x84 h ALA 145 Ca 0.53 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 1x84 h ALA 145 Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1x84 h ALA 145 CO -0.34 -0.07 0.10 -0.44 0.00 0.00 0.00 179.25 178.50 1x84 h ASP 146 N 0.54 0.31 -0.79 0.00 3.32 -1.61 -0.69 116.42 117.51 1x84 h ASP 146 Ca 0.29 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1x84 h ASP 146 Cb 0.25 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1x84 h ASP 146 CO -0.22 0.37 0.51 0.58 -1.72 0.00 0.00 179.24 178.77 1x84 h VAL 147 N 0.22 1.16 -0.16 -1.35 2.07 -0.76 -0.92 116.25 116.52 1x84 h VAL 147 Ca 0.08 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1x84 h VAL 147 Cb 0.16 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1x84 h VAL 147 CO -0.01 0.19 -0.37 -0.07 0.02 0.00 0.00 177.57 177.33 1x84 h LEU 148 N 1.03 0.35 -0.66 2.57 3.38 -0.81 -1.40 115.31 119.78 1x84 h LEU 148 Ca 0.30 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1x84 h LEU 148 Cb -0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1x84 h LEU 148 CO -0.09 0.70 -0.07 0.45 0.09 0.00 0.00 178.44 179.52 1x84 h HIS 149 N 0.29 1.08 -0.45 1.13 3.86 -0.27 -1.84 115.15 118.94 1x84 h HIS 149 Ca 0.03 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 58.95 1x84 h HIS 149 Cb 0.78 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 1x84 h HIS 149 CO 0.02 0.99 -0.05 0.78 0.86 0.00 0.00 177.93 180.53 1x84 h GLY 150 N 0.97 0.90 1.00 2.45 0.00 -0.81 0.25 103.07 107.84 1x84 h GLY 150 Ca 0.15 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 46.81 1x84 h GLY 150 CO 0.04 0.65 0.58 -2.22 0.00 0.00 0.00 176.54 175.59 1x84 h ILE 151 N 0.68 1.15 -0.19 2.60 2.04 -1.24 0.26 117.51 122.81 1x84 h ILE 151 Ca 0.12 -0.38 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 1x84 h ILE 151 Cb 0.57 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1x84 h ILE 151 CO 0.03 0.20 -0.52 -0.78 0.00 0.00 0.00 178.15 177.08 1x84 h ASP 152 N 1.11 0.61 0.06 1.72 3.58 -0.84 -2.72 116.42 119.93 1x84 h ASP 152 Ca 0.35 -0.31 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 1x84 h ASP 152 Cb 0.02 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 40.91 1x84 h ASP 152 CO -0.11 1.02 -0.54 0.00 -2.88 0.00 0.00 179.24 176.73 1x84 h ALA 153 N 1.00 -0.01 -2.04 -0.78 0.00 -0.35 -3.41 119.26 113.66 1x84 h ALA 153 Ca 0.01 -0.59 -0.56 0.00 0.00 0.00 0.00 54.91 53.77 1x84 h ALA 153 Cb 1.06 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 1x84 h ALA 153 CO 0.10 0.26 -1.01 0.25 0.00 0.00 0.00 179.25 178.85 1x84 n THR 154 N -4.29 -0.00 0.26 0.00 -2.24 0.86 -4.95 114.28 103.92 1x84 n THR 154 Ca -0.12 -4.31 0.10 0.00 -2.27 0.00 0.00 64.05 57.45 1x84 n THR 154 Cb 0.68 -1.85 0.67 0.00 -2.10 0.00 0.00 70.33 67.72 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 3.94 0.00 0.00 -0.78 0.13 -1.63 -1.75 132.00 131.91 1x84 h PRO 155 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1x84 h PRO 155 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1x84 h PRO 155 CO 0.54 0.10 0.00 -2.67 -0.23 0.00 0.00 178.00 175.75 1x84 n TRP 156 N -4.05 0.15 1.40 1.56 4.27 -1.26 -2.23 117.44 117.27 1x84 n TRP 156 Ca -0.02 0.07 0.14 0.00 -3.89 0.00 0.00 57.50 53.79 1x84 n TRP 156 Cb 0.19 -0.61 0.48 0.00 -1.36 0.00 0.00 31.31 30.01 1x84 n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x84 n ALA 157 N -1.55 2.80 -2.38 -1.67 0.00 -0.66 -4.91 120.51 112.13 1x84 n ALA 157 Ca 0.02 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 1x84 n ALA 157 Cb 0.10 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.24 1.79 0.49 0.00 0.08 -0.95 -4.44 117.98 112.72 1x84 s PHE 158 Ca 0.32 -0.76 -0.23 0.00 0.12 0.00 0.00 56.93 56.38 1x84 s PHE 158 Cb 0.20 -1.01 -0.06 0.00 -0.57 0.00 0.00 43.02 41.58 1x84 s PHE 158 CO 0.42 0.18 1.30 -1.54 -0.10 0.00 0.00 175.22 175.49 1x84 s SER 159 N -3.38 5.72 0.42 1.36 1.04 -0.13 -4.88 113.70 113.85 1x84 s SER 159 Ca 0.28 2.64 0.08 0.00 0.48 0.00 0.00 55.95 59.43 1x84 s SER 159 Cb 0.04 -2.63 0.89 0.00 0.10 0.00 0.00 66.02 64.42 1x84 s SER 159 CO 0.10 -1.26 2.06 -0.65 0.98 0.00 0.00 173.24 174.48 1x84 h PRO 160 N 1.87 0.49 -0.31 4.02 0.11 -1.92 -2.58 132.00 133.68 1x84 h PRO 160 Ca -0.50 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.41 1x84 h PRO 160 Cb 1.27 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1x84 h PRO 160 CO 0.59 0.33 -0.47 0.11 -0.21 0.00 0.00 178.00 178.35 1x84 h TRP 161 N 0.50 1.06 -0.58 0.65 0.09 -1.99 0.69 115.95 116.37 1x84 h TRP 161 Ca 0.13 -0.36 0.08 0.00 0.09 0.00 0.00 58.89 58.84 1x84 h TRP 161 Cb -0.05 -0.21 -0.07 0.00 0.08 0.00 0.00 29.16 28.92 1x84 h TRP 161 CO 0.00 1.18 0.23 1.98 0.09 0.00 0.00 178.44 181.91 1x84 h MET 162 N 0.65 0.40 -0.30 0.12 4.05 -1.87 -1.26 114.93 116.71 1x84 h MET 162 Ca 0.03 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 1x84 h MET 162 Cb 1.07 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 1x84 h MET 162 CO 0.11 0.27 -0.04 0.28 0.23 0.00 0.00 176.91 177.76 1x84 h VAL 163 N 0.41 1.27 -0.78 -5.77 2.07 -1.19 -1.62 116.25 110.65 1x84 h VAL 163 Ca 0.29 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1x84 h VAL 163 Cb 0.33 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1x84 h VAL 163 CO -0.28 0.33 0.52 0.24 0.02 0.00 0.00 177.57 178.40 1x84 h MET 164 N 0.34 1.02 -0.08 1.57 2.86 -0.46 -1.54 114.93 118.64 1x84 h MET 164 Ca 0.08 -0.06 -0.24 0.00 -2.06 0.00 0.00 59.70 57.42 1x84 h MET 164 Cb 0.50 -0.23 0.02 0.00 0.06 0.00 0.00 31.60 31.95 1x84 h MET 164 CO 0.02 0.67 -0.88 1.96 1.06 0.00 0.00 176.91 179.75 1x84 h GLN 165 N 1.05 0.73 0.00 1.72 4.20 -1.15 -3.16 115.11 118.50 1x84 h GLN 165 Ca 0.29 -0.68 -0.05 0.00 0.06 0.00 0.00 58.65 58.27 1x84 h GLN 165 Cb -0.11 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1x84 h GLN 165 CO -0.06 1.28 -0.22 0.00 -0.67 0.00 0.00 178.83 179.16 1x84 h ALA 166 N 0.47 1.33 -0.28 3.87 0.00 -1.01 -2.69 119.26 120.94 1x84 h ALA 166 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x84 h ALA 166 Cb 1.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1x84 h ALA 166 CO 0.18 0.27 0.00 0.25 0.00 0.00 0.00 179.25 179.95 1x84 n THR 167 N -3.82 0.36 -2.36 0.00 -2.24 -0.61 -4.61 114.28 101.01 1x84 n THR 167 Ca -0.02 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 1x84 n THR 167 Cb 0.31 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.57 6.95 0.17 3.42 3.84 -1.02 -4.92 114.94 121.81 1x84 s ASN 168 Ca 0.36 1.92 -0.18 0.00 0.21 0.00 0.00 52.86 55.17 1x84 s ASN 168 Cb 0.21 -2.56 0.09 0.00 -0.55 0.00 0.00 41.25 38.44 1x84 s ASN 168 CO 0.30 -0.66 1.65 -0.09 -2.79 0.00 0.00 177.10 175.51 1x84 h ARG 169 N 7.74 -0.06 -0.20 0.43 2.43 -1.88 -0.23 114.38 122.61 1x84 h ARG 169 Ca -0.35 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.73 1x84 h ARG 169 Cb 1.16 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1x84 h ARG 169 CO 0.90 -0.04 -0.25 0.93 -1.51 0.00 0.00 179.97 180.00 1x84 h GLU 170 N -0.07 0.52 -1.00 0.20 3.07 -1.92 -1.48 114.58 113.90 1x84 h GLU 170 Ca 0.19 -0.29 0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1x84 h GLU 170 Cb 0.35 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 1x84 h GLU 170 CO -0.43 0.88 0.66 0.00 -1.40 0.00 0.00 179.01 178.72 1x84 h ALA 171 N 0.63 1.27 -0.68 3.43 0.00 -1.59 -2.79 119.26 119.53 1x84 h ALA 171 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1x84 h ALA 171 Cb 0.81 -0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1x84 h ALA 171 CO 0.06 0.67 0.26 -0.09 0.00 0.00 0.00 179.25 180.15 1x84 h ARG 172 N 1.36 1.00 -0.35 0.00 2.43 -0.72 0.21 114.38 118.31 1x84 h ARG 172 Ca 0.37 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1x84 h ARG 172 Cb -0.15 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 1x84 h ARG 172 CO -0.08 0.82 0.02 0.87 -1.51 0.00 0.00 179.97 180.09 1x84 h LYS 173 N 0.98 0.53 -0.10 0.20 1.57 -1.05 -1.09 116.57 117.61 1x84 h LYS 173 Ca 0.23 -0.11 -0.23 0.00 -1.87 0.00 0.00 60.65 58.67 1x84 h LYS 173 Cb 0.20 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1x84 h LYS 173 CO -0.02 0.54 -0.85 0.00 -0.57 0.00 0.00 179.45 178.56 1x84 h ARG 174 N 0.51 0.70 -0.64 3.15 -0.00 -1.02 -1.79 114.38 115.30 1x84 h ARG 174 Ca 0.11 -0.63 0.07 0.00 -0.50 0.00 0.00 59.98 59.04 1x84 h ARG 174 Cb 0.30 0.15 -0.06 0.00 0.00 0.00 0.00 29.97 30.36 1x84 h ARG 174 CO 0.01 1.23 0.32 -0.07 0.00 0.00 0.00 179.97 181.46 1x84 h LEU 175 N 0.46 0.45 -0.97 3.04 3.38 -0.70 -1.81 115.31 119.15 1x84 h LEU 175 Ca -0.07 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1x84 h LEU 175 Cb 1.48 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 42.12 1x84 h LEU 175 CO 0.17 0.28 0.61 0.28 0.09 0.00 0.00 178.44 179.87 1x84 h SER 176 N 0.59 0.92 0.57 -0.43 0.02 -1.02 -0.55 113.55 113.66 1x84 h SER 176 Ca 0.30 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1x84 h SER 176 Cb 0.25 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1x84 h SER 176 CO -0.22 0.54 -0.15 0.00 -1.14 0.00 0.00 176.83 175.86 1x84 h ALA 177 N 1.49 1.17 -0.00 3.77 0.00 -0.47 -2.03 119.26 123.18 1x84 h ALA 177 Ca 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1x84 h ALA 177 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x84 h ALA 177 CO -0.23 0.19 -0.00 1.19 0.00 0.00 0.00 179.25 180.40 1x84 n PHE 178 N -3.51 0.00 1.34 0.00 3.01 -0.22 -3.14 117.46 114.94 1x84 n PHE 178 Ca -0.01 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.59 1x84 n PHE 178 Cb 0.30 -0.05 0.52 0.00 -0.01 0.00 0.00 39.48 40.25 1x84 n PHE 178 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1x84 n THR 179 N -0.95 0.00 -2.12 4.37 -2.24 -0.76 -4.46 114.28 108.12 1x84 n THR 179 Ca 0.22 -0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.52 1x84 n THR 179 Cb 0.15 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 1x84 n THR 179 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1x84 s GLN 180 N -2.49 3.93 0.19 -0.78 0.74 -1.19 -4.29 119.66 115.78 1x84 s GLN 180 Ca 0.27 2.05 -0.30 0.00 0.05 0.00 0.00 55.36 57.43 1x84 s GLN 180 Cb 0.20 -2.69 -0.08 0.00 1.10 0.00 0.00 33.01 31.54 1x84 s GLN 180 CO 0.49 -0.49 1.24 -1.17 -0.55 0.00 0.00 175.29 174.82 1x84 s LEU 181 N -2.54 4.44 -0.04 3.68 0.20 -1.26 -4.06 118.68 119.09 1x84 s LEU 181 Ca 0.58 2.31 0.01 0.00 0.69 0.00 0.00 54.13 57.72 1x84 s LEU 181 Cb -0.36 -3.61 0.02 0.00 -0.43 0.00 0.00 46.19 41.82 1x84 s LEU 181 CO 0.45 -0.43 -0.04 -0.75 -0.29 0.00 0.00 176.35 175.29 1x84 s LYS 182 N -0.24 0.79 0.00 1.98 2.20 0.88 -5.01 119.74 120.34 1x84 s LYS 182 Ca 0.54 -0.08 0.26 0.00 -0.36 0.00 0.00 55.97 56.32 1x84 s LYS 182 Cb -0.34 -0.83 0.56 0.00 -1.51 0.00 0.00 37.83 35.71 1x84 s LYS 182 CO 0.38 -0.10 1.47 1.28 -0.36 0.00 0.00 175.35 178.02