#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x83 n HIS 5 N 0.00 -0.78 -4.33 4.31 1.44 -1.26 -1.60 115.22 112.99 1x83 n HIS 5 Ca 0.00 -1.94 -0.26 0.00 -2.01 0.00 0.00 57.72 53.51 1x83 n HIS 5 Cb 0.00 0.28 -0.13 0.00 0.12 0.00 0.00 29.99 30.26 1x83 n HIS 5 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1x83 s VAL 6 N -2.90 1.95 -0.32 0.61 -7.23 0.40 -4.65 120.40 108.26 1x83 s VAL 6 Ca 0.27 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.65 1x83 s VAL 6 Cb 0.01 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 1x83 s VAL 6 CO 0.19 0.00 0.38 -0.63 -0.31 0.00 0.00 175.10 174.74 1x83 s ILE 7 N -1.12 5.15 0.26 -0.62 1.01 -1.26 -1.57 121.20 123.05 1x83 s ILE 7 Ca 0.10 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 1x83 s ILE 7 Cb -0.10 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 1x83 s ILE 7 CO 0.05 -0.01 1.05 -0.76 0.00 0.00 0.00 174.94 175.27 1x83 s LEU 8 N 2.09 4.58 0.06 2.97 1.43 -0.10 -1.15 118.68 128.56 1x83 s LEU 8 Ca 0.14 2.16 0.09 0.00 -1.03 0.00 0.00 54.13 55.49 1x83 s LEU 8 Cb -0.16 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 1x83 s LEU 8 CO 0.11 -0.06 -0.26 -0.76 0.23 0.00 0.00 176.35 175.61 1x83 s LEU 9 N -1.28 2.20 0.00 1.79 1.43 -0.32 -0.72 118.68 121.77 1x83 s LEU 9 Ca 0.44 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1x83 s LEU 9 Cb -0.30 -1.25 0.09 0.00 0.03 0.00 0.00 46.19 44.75 1x83 s LEU 9 CO 0.38 0.24 0.56 -0.46 0.23 0.00 0.00 176.35 177.30 1x83 n ASN 10 N 1.62 0.49 -0.32 2.29 2.04 -0.69 -4.45 115.26 116.23 1x83 n ASN 10 Ca -0.17 -1.48 0.31 0.00 -0.44 0.00 0.00 54.58 52.81 1x83 n ASN 10 Cb 0.52 -0.39 0.58 0.00 -2.53 0.00 0.00 39.78 37.96 1x83 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1x83 h ALA 11 N -0.95 2.15 -1.16 -2.53 0.00 -1.99 -2.76 119.26 112.01 1x83 h ALA 11 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1x83 h ALA 11 Cb 0.62 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1x83 h ALA 11 CO 0.17 -0.93 0.00 1.04 0.00 0.00 0.00 179.25 179.53 1x83 n GLN 12 N -5.25 0.00 0.00 0.00 1.13 -1.26 -4.97 117.38 107.03 1x83 n GLN 12 Ca 0.37 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.74 1x83 n GLN 12 Cb 1.26 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 30.51 1x83 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x83 n GLY 13 N 0.38 0.00 3.64 1.08 0.00 -1.04 -5.15 105.19 104.10 1x83 n GLY 13 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1x83 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x83 s VAL 14 N 0.00 4.56 0.30 1.61 1.01 -1.26 -4.84 120.40 121.78 1x83 s VAL 14 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1x83 s VAL 14 Cb 0.00 -3.01 -0.12 0.00 0.00 0.00 0.00 36.38 33.25 1x83 s VAL 14 CO 0.00 0.52 1.38 -2.65 0.00 0.00 0.00 175.10 174.35 1x83 n PRO 15 N 3.07 2.21 0.00 2.72 -0.02 -1.26 -1.71 135.00 140.01 1x83 n PRO 15 Ca -0.17 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1x83 n PRO 15 Cb 0.53 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1x83 n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1x83 n THR 16 N 1.09 0.00 -2.20 3.45 -2.24 0.10 -4.88 114.28 109.60 1x83 n THR 16 Ca 0.07 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1x83 n THR 16 Cb 0.35 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1x83 n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x83 n GLY 17 N 0.23 -0.13 3.23 3.38 0.00 -1.25 -4.99 105.19 105.65 1x83 n GLY 17 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1x83 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x83 s THR 18 N -2.72 0.88 -0.07 2.61 -4.23 -1.26 -0.92 115.64 109.93 1x83 s THR 18 Ca 0.00 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1x83 s THR 18 Cb 0.00 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 71.95 1x83 s THR 18 CO 0.00 -0.67 0.16 -0.76 -0.54 0.00 0.00 174.62 172.80 1x83 s LEU 19 N -3.14 0.94 0.33 4.79 1.43 -0.61 -4.89 118.68 117.53 1x83 s LEU 19 Ca 0.18 0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.34 1x83 s LEU 19 Cb 0.05 0.46 -0.13 0.00 0.03 0.00 0.00 46.19 46.59 1x83 s LEU 19 CO 0.01 -0.12 1.04 1.21 0.23 0.00 0.00 176.35 178.72 1x83 n GLU 20 N 3.77 1.46 0.23 1.70 0.00 -1.26 -0.46 120.64 126.08 1x83 n GLU 20 Ca -0.21 0.51 -0.15 0.00 0.00 0.00 0.00 57.16 57.31 1x83 n GLU 20 Cb 0.54 -1.95 -0.08 0.00 0.00 0.00 0.00 31.44 29.95 1x83 n GLU 20 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1x83 h LYS 21 N 1.94 -0.53 0.21 5.31 3.64 -1.57 -0.70 116.57 124.88 1x83 h LYS 21 Ca -0.42 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1x83 h LYS 21 Cb 1.33 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.23 1x83 h LYS 21 CO 0.60 -0.27 -0.44 -0.92 -2.27 0.00 0.00 179.45 176.14 1x83 h TYR 22 N -0.70 -1.23 0.00 1.91 3.20 -1.90 -0.14 116.97 118.10 1x83 h TYR 22 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1x83 h TYR 22 Cb 0.50 0.51 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1x83 h TYR 22 CO -0.01 -0.55 0.00 0.00 -1.64 0.00 0.00 178.16 175.95 1x83 n ALA 23 N -2.82 1.25 0.05 1.82 0.00 -1.18 -1.38 120.51 118.25 1x83 n ALA 23 Ca -0.08 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1x83 n ALA 23 Cb 0.40 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.62 1x83 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x83 h ALA 24 N 2.10 0.70 -2.85 0.00 0.00 0.57 -3.43 119.26 116.36 1x83 h ALA 24 Ca 0.00 -0.56 -0.71 0.00 0.00 0.00 0.00 54.91 53.64 1x83 h ALA 24 Cb 0.12 -0.07 -0.25 0.00 0.00 0.00 0.00 17.79 17.58 1x83 h ALA 24 CO 0.00 0.73 -0.52 -1.01 0.00 0.00 0.00 179.25 178.45 1x83 s HIS 25 N -3.77 3.25 0.00 0.00 3.76 -0.48 -4.29 115.29 113.76 1x83 s HIS 25 Ca -0.06 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.83 1x83 s HIS 25 Cb 0.11 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.38 1x83 s HIS 25 CO 0.83 -0.66 0.00 0.25 -0.85 0.00 0.00 174.74 174.31 1x83 n THR 26 N 4.98 0.00 0.29 1.30 -2.24 -1.26 -4.88 114.28 112.46 1x83 n THR 26 Ca -0.12 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.84 1x83 n THR 26 Cb 0.46 0.00 0.78 0.00 -2.10 0.00 0.00 70.33 69.47 1x83 n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x83 h ALA 27 N 1.27 1.01 -0.01 6.98 0.00 -1.92 0.44 119.26 127.04 1x83 h ALA 27 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x83 h ALA 27 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1x83 h ALA 27 CO 0.00 0.02 -0.43 -0.40 0.00 0.00 0.00 179.25 178.44 1x83 n ASP 28 N -3.13 1.81 -4.65 0.00 5.75 -1.26 -4.67 116.55 110.39 1x83 n ASP 28 Ca -0.00 -3.81 -0.60 0.00 -0.01 0.00 0.00 54.79 50.38 1x83 n ASP 28 Cb 0.26 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.76 1x83 n ASP 28 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1x83 n THR 29 N -1.16 0.09 -1.86 2.12 -1.04 -1.25 -4.96 114.28 106.23 1x83 n THR 29 Ca 0.19 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.87 1x83 n THR 29 Cb 0.69 -0.68 0.01 0.00 -1.82 0.00 0.00 70.33 68.53 1x83 n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1x83 s ARG 30 N 2.03 3.53 0.24 -2.82 0.52 -1.26 -4.72 118.95 116.47 1x83 s ARG 30 Ca 0.96 0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 56.61 1x83 s ARG 30 Cb -1.21 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 32.08 1x83 s ARG 30 CO 0.65 -0.62 1.51 -1.17 0.02 0.00 0.00 175.30 175.69 1x83 s LEU 31 N -5.21 4.37 0.23 2.53 2.96 -1.26 -4.65 118.68 117.66 1x83 s LEU 31 Ca 0.55 2.74 -0.16 0.00 -0.22 0.00 0.00 54.13 57.04 1x83 s LEU 31 Cb -0.11 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1x83 s LEU 31 CO 0.54 -0.79 0.54 -1.38 -1.32 0.00 0.00 176.35 173.93 1x83 s HIS 32 N 0.24 0.06 0.12 5.38 -3.43 -0.74 -1.18 115.29 115.74 1x83 s HIS 32 Ca 0.63 -0.43 -0.27 0.00 -0.80 0.00 0.00 55.06 54.18 1x83 s HIS 32 Cb -0.44 0.36 -0.07 0.00 -1.43 0.00 0.00 32.58 31.01 1x83 s HIS 32 CO 0.42 -1.00 0.84 -1.17 -2.00 0.00 0.00 174.74 171.83 1x83 s LEU 33 N -2.94 4.53 0.27 5.38 2.96 -0.30 -1.32 118.68 127.26 1x83 s LEU 33 Ca 0.15 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1x83 s LEU 33 Cb -0.02 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 1x83 s LEU 33 CO 0.03 0.06 0.27 0.00 -1.32 0.00 0.00 176.35 175.40 1x83 s ALA 34 N -0.46 1.18 0.05 5.97 0.00 0.13 -4.25 121.76 124.37 1x83 s ALA 34 Ca 0.40 -1.71 -0.02 0.00 0.00 0.00 0.00 51.96 50.64 1x83 s ALA 34 Cb -0.23 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.20 1x83 s ALA 34 CO 0.27 -0.68 -0.01 -0.59 0.00 0.00 0.00 175.76 174.75 1x83 s PHE 35 N -3.73 0.48 0.02 0.00 -0.12 0.28 -3.54 117.98 111.38 1x83 s PHE 35 Ca 0.36 -1.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.26 1x83 s PHE 35 Cb 0.03 -0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.05 1x83 s PHE 35 CO 0.18 -0.39 -0.09 0.45 -0.05 0.00 0.00 175.22 175.31 1x83 s SER 36 N -2.90 1.10 0.06 1.98 0.15 -0.75 -1.19 113.70 112.14 1x83 s SER 36 Ca 0.07 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.42 1x83 s SER 36 Cb 0.08 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 1x83 s SER 36 CO -0.10 0.01 -0.09 -0.55 1.20 0.00 0.00 173.24 173.70 1x83 s SER 37 N -0.78 1.15 -0.19 5.45 0.15 0.15 -0.20 113.70 119.42 1x83 s SER 37 Ca -0.01 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 56.02 1x83 s SER 37 Cb -0.06 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1x83 s SER 37 CO 0.00 -0.21 -0.17 0.26 1.20 0.00 0.00 173.24 174.33 1x83 s TRP 38 N -1.69 2.79 -0.08 3.44 0.52 0.19 -2.28 118.94 121.82 1x83 s TRP 38 Ca -0.04 -1.73 0.00 0.00 0.02 0.00 0.00 56.10 54.35 1x83 s TRP 38 Cb -0.08 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.34 1x83 s TRP 38 CO 0.00 -0.80 -0.07 -0.51 0.02 0.00 0.00 176.95 175.59 1x83 s LEU 39 N 1.28 3.16 -0.01 2.99 1.43 -1.26 -1.83 118.68 124.44 1x83 s LEU 39 Ca 0.02 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1x83 s LEU 39 Cb -0.14 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1x83 s LEU 39 CO -0.11 0.33 -0.15 -0.36 0.23 0.00 0.00 176.35 176.29 1x83 s PHE 40 N -0.63 1.37 0.87 0.29 0.40 -0.62 -0.55 117.98 119.11 1x83 s PHE 40 Ca 0.09 -0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 56.06 1x83 s PHE 40 Cb -0.12 -0.87 0.19 0.00 0.51 0.00 0.00 43.02 42.73 1x83 s PHE 40 CO 0.02 -0.02 1.19 0.27 0.70 0.00 0.00 175.22 177.38 1x83 n ASN 41 N 2.66 0.58 -0.30 1.36 0.23 0.03 -0.90 115.26 118.91 1x83 n ASN 41 Ca -0.15 -1.72 0.11 0.00 -0.53 0.00 0.00 54.58 52.29 1x83 n ASN 41 Cb 0.55 -0.86 0.33 0.00 -2.08 0.00 0.00 39.78 37.72 1x83 n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x83 h ALA 42 N -1.34 1.73 0.00 -2.53 0.00 -1.84 0.14 119.26 115.42 1x83 h ALA 42 Ca -0.39 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1x83 h ALA 42 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1x83 h ALA 42 CO 0.32 0.02 0.00 0.87 0.00 0.00 0.00 179.25 180.46 1x83 h LYS 43 N 0.79 0.00 0.00 0.00 1.57 -1.87 -0.63 116.57 116.42 1x83 h LYS 43 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1x83 h LYS 43 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1x83 h LYS 43 CO -0.24 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.05 1x83 n GLY 44 N -0.34 0.73 3.81 3.86 0.00 0.48 -4.25 105.19 109.48 1x83 n GLY 44 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1x83 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x83 s GLN 45 N -0.57 4.00 -0.05 1.61 -0.21 -1.26 -4.29 119.66 118.89 1x83 s GLN 45 Ca 0.00 1.23 -0.21 0.00 0.02 0.00 0.00 55.36 56.40 1x83 s GLN 45 Cb 0.00 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 1x83 s GLN 45 CO 0.00 -0.24 0.60 -1.17 -2.12 0.00 0.00 175.29 172.36 1x83 s LEU 46 N -3.38 4.35 -0.38 2.90 2.96 0.10 -0.79 118.68 124.45 1x83 s LEU 46 Ca 0.64 1.09 -0.25 0.00 -0.22 0.00 0.00 54.13 55.39 1x83 s LEU 46 Cb -0.13 -2.92 0.01 0.00 0.50 0.00 0.00 46.19 43.65 1x83 s LEU 46 CO 0.17 0.00 0.87 -0.22 -1.32 0.00 0.00 176.35 175.86 1x83 s LEU 47 N 0.34 4.05 0.00 -0.68 2.96 0.28 -1.21 118.68 124.42 1x83 s LEU 47 Ca 0.32 0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 54.65 1x83 s LEU 47 Cb -0.17 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1x83 s LEU 47 CO 0.16 -0.84 0.17 -0.69 -1.32 0.00 0.00 176.35 173.83 1x83 s VAL 48 N 3.37 5.29 0.11 1.68 1.01 0.27 -3.34 120.40 128.80 1x83 s VAL 48 Ca 0.36 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1x83 s VAL 48 Cb -0.12 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1x83 s VAL 48 CO 0.19 0.30 -0.10 0.42 0.00 0.00 0.00 175.10 175.91 1x83 s THR 49 N -1.33 0.97 -0.22 3.92 -4.23 -0.89 -1.38 115.64 112.49 1x83 s THR 49 Ca 0.28 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1x83 s THR 49 Cb -0.13 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 1x83 s THR 49 CO 0.19 -0.67 -0.04 -0.60 -0.54 0.00 0.00 174.62 172.97 1x83 s ARG 50 N -3.26 3.40 0.37 3.99 3.52 0.20 -0.66 118.95 126.51 1x83 s ARG 50 Ca 0.10 -0.61 -0.28 0.00 -0.13 0.00 0.00 55.73 54.80 1x83 s ARG 50 Cb 0.00 -3.02 -0.11 0.00 -1.56 0.00 0.00 34.95 30.26 1x83 s ARG 50 CO -0.01 -0.18 1.51 0.54 -0.81 0.00 0.00 175.30 176.35 1x83 n ARG 51 N 4.77 2.71 -1.03 5.12 1.74 0.02 -0.79 116.66 129.20 1x83 n ARG 51 Ca -0.18 0.95 -0.32 0.00 -0.77 0.00 0.00 57.85 57.54 1x83 n ARG 51 Cb 0.51 -2.70 0.13 0.00 -1.02 0.00 0.00 32.46 29.38 1x83 n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x83 s ALA 52 N -1.00 1.85 -0.88 7.54 0.00 -0.40 -0.98 121.76 127.88 1x83 s ALA 52 Ca 0.54 0.55 0.15 0.00 0.00 0.00 0.00 51.96 53.20 1x83 s ALA 52 Cb -0.47 -3.40 0.64 0.00 0.00 0.00 0.00 23.12 19.89 1x83 s ALA 52 CO 0.62 -2.27 1.47 1.28 0.00 0.00 0.00 175.76 176.86 1x83 n LEU 53 N -3.70 0.14 -0.83 0.00 4.77 -1.26 -2.02 117.00 114.10 1x83 n LEU 53 Ca 0.11 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 1x83 n LEU 53 Cb 0.52 -0.52 0.13 0.00 -2.33 0.00 0.00 43.42 41.21 1x83 n LEU 53 CO 0.50 -0.35 0.60 -1.54 -1.33 0.00 0.00 177.39 175.27 1x83 n SER 54 N -1.66 2.68 -4.77 -1.43 3.41 -1.26 -4.77 113.62 105.83 1x83 n SER 54 Ca 0.03 -1.86 -0.41 0.00 -0.26 0.00 0.00 58.87 56.36 1x83 n SER 54 Cb 0.16 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1x83 n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1x83 s LYS 55 N -2.08 4.16 0.34 4.33 -0.14 -0.85 -4.88 119.74 120.61 1x83 s LYS 55 Ca 0.27 2.51 0.12 0.00 -1.36 0.00 0.00 55.97 57.51 1x83 s LYS 55 Cb 0.20 -3.01 0.61 0.00 -1.68 0.00 0.00 37.83 33.94 1x83 s LYS 55 CO 0.35 -0.51 1.75 -0.22 -0.76 0.00 0.00 175.35 175.96 1x83 h LYS 56 N 3.76 0.00 -6.16 1.68 3.64 -1.91 -3.35 116.57 114.23 1x83 h LYS 56 Ca -0.49 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.21 1x83 h LYS 56 Cb 1.23 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.74 1x83 h LYS 56 CO 0.70 0.45 -0.88 0.00 -2.27 0.00 0.00 179.45 177.45 1x83 s ALA 57 N -3.96 2.07 -1.28 5.00 0.00 -1.26 -4.72 121.76 117.59 1x83 s ALA 57 Ca -0.02 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.69 1x83 s ALA 57 Cb 0.14 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1x83 s ALA 57 CO 0.73 0.44 0.55 0.91 0.00 0.00 0.00 175.76 178.40 1x83 n TRP 58 N 2.75 -1.50 -2.32 0.00 8.01 -1.26 -4.92 117.44 118.20 1x83 n TRP 58 Ca -0.17 0.32 -0.37 0.00 -1.31 0.00 0.00 57.50 55.97 1x83 n TRP 58 Cb 0.52 -3.03 -0.02 0.00 -2.01 0.00 0.00 31.31 26.77 1x83 n TRP 58 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1x83 s PRO 59 N -7.04 3.86 -0.85 -0.99 0.04 -1.26 -3.42 135.00 125.35 1x83 s PRO 59 Ca 0.34 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1x83 s PRO 59 Cb -0.17 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1x83 s PRO 59 CO 0.95 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.94 1x83 n GLY 60 N 0.42 0.99 3.68 0.56 0.00 -0.15 -4.89 105.19 105.80 1x83 n GLY 60 Ca 0.07 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1x83 n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x83 s VAL 61 N -2.25 4.30 0.14 1.61 1.01 -1.22 -4.78 120.40 119.21 1x83 s VAL 61 Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 1x83 s VAL 61 Cb 0.00 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 1x83 s VAL 61 CO 0.00 0.60 0.88 0.26 0.00 0.00 0.00 175.10 176.85 1x83 s TRP 62 N -0.86 3.86 0.16 5.22 0.52 -1.26 -0.80 118.94 125.78 1x83 s TRP 62 Ca 0.13 1.74 -0.04 0.00 0.02 0.00 0.00 56.10 57.95 1x83 s TRP 62 Cb -0.11 -2.94 0.02 0.00 -1.15 0.00 0.00 33.47 29.29 1x83 s TRP 62 CO 0.02 0.34 0.28 -2.37 0.02 0.00 0.00 176.95 175.25 1x83 n THR 63 N 2.23 0.00 -1.53 2.01 5.66 0.16 -0.44 114.28 122.38 1x83 n THR 63 Ca -0.01 -0.59 -0.25 0.00 -3.05 0.00 0.00 64.05 60.15 1x83 n THR 63 Cb 0.49 0.45 0.19 0.00 -1.55 0.00 0.00 70.33 69.90 1x83 n THR 63 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1x83 n ASN 64 N -1.54 -0.54 0.18 1.09 0.23 -1.26 -2.08 115.26 111.34 1x83 n ASN 64 Ca -0.02 -1.31 -0.14 0.00 -0.53 0.00 0.00 54.58 52.58 1x83 n ASN 64 Cb 0.25 -0.87 -0.08 0.00 -2.08 0.00 0.00 39.78 37.01 1x83 n ASN 64 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1x83 h SER 65 N -1.80 -0.41 -3.74 0.53 0.02 -1.52 -3.37 113.55 103.27 1x83 h SER 65 Ca -0.36 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 1x83 h SER 65 Cb 1.03 0.12 -0.24 0.00 0.14 0.00 0.00 62.40 63.45 1x83 h SER 65 CO 0.25 -0.27 -0.21 0.54 -1.14 0.00 0.00 176.83 176.00 1x83 s VAL 66 N -6.12 -0.01 0.14 2.27 0.11 -0.97 -4.73 120.40 111.10 1x83 s VAL 66 Ca -0.15 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1x83 s VAL 66 Cb 0.05 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1x83 s VAL 66 CO 0.64 0.01 -0.15 0.00 -3.33 0.00 0.00 175.10 172.27 1x83 n GLY 68 N 0.34 0.99 2.95 0.00 0.00 -0.34 -4.99 105.19 104.14 1x83 n GLY 68 Ca -0.14 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 1x83 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x83 s HIS 69 N -4.54 2.13 0.67 1.61 3.76 -1.26 -0.56 115.29 117.10 1x83 s HIS 69 Ca 0.05 -1.40 -0.16 0.00 -0.15 0.00 0.00 55.06 53.40 1x83 s HIS 69 Cb -0.00 -1.51 0.01 0.00 1.11 0.00 0.00 32.58 32.19 1x83 s HIS 69 CO 0.01 -0.70 1.20 -2.14 -0.85 0.00 0.00 174.74 172.26 1x83 s PRO 70 N 1.49 2.50 0.40 8.40 0.02 -1.26 -4.99 135.00 141.56 1x83 s PRO 70 Ca -0.01 1.76 0.08 0.00 0.02 0.00 0.00 61.00 62.85 1x83 s PRO 70 Cb -0.16 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 1x83 s PRO 70 CO -0.08 -1.56 0.37 -0.65 -0.33 0.00 0.00 177.00 174.75 1x83 s GLN 71 N -3.71 2.59 0.10 5.54 -1.52 -1.26 -4.40 119.66 117.00 1x83 s GLN 71 Ca 0.75 -1.47 -0.36 0.00 -1.95 0.00 0.00 55.36 52.33 1x83 s GLN 71 Cb -0.29 -2.42 -0.16 0.00 -0.22 0.00 0.00 33.01 29.92 1x83 s GLN 71 CO 0.41 -0.14 1.31 -0.11 -0.25 0.00 0.00 175.29 176.51 1x83 n LEU 72 N -1.53 1.65 0.00 2.90 7.94 -1.26 -0.99 117.00 125.71 1x83 n LEU 72 Ca 0.03 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1x83 n LEU 72 Cb 0.61 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.36 1x83 n LEU 72 CO 0.42 -1.08 0.00 0.61 -1.11 0.00 0.00 177.39 176.23 1x83 n GLY 73 N 2.44 1.47 3.80 -3.96 0.00 -1.26 -5.00 105.19 102.68 1x83 n GLY 73 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1x83 n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x83 s GLU 74 N -0.12 4.09 0.68 1.61 2.12 -0.16 -5.08 118.70 121.83 1x83 s GLU 74 Ca 0.00 0.47 -0.12 0.00 0.36 0.00 0.00 54.97 55.68 1x83 s GLU 74 Cb 0.00 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1x83 s GLU 74 CO 0.00 0.52 1.06 -1.54 -0.54 0.00 0.00 175.26 174.77 1x83 s SER 75 N -0.57 5.39 0.37 -1.70 1.04 -1.26 -4.71 113.70 112.26 1x83 s SER 75 Ca 0.25 1.69 0.06 0.00 0.48 0.00 0.00 55.95 58.43 1x83 s SER 75 Cb -0.17 -2.51 0.71 0.00 0.10 0.00 0.00 66.02 64.16 1x83 s SER 75 CO 0.13 -1.44 1.95 0.78 0.98 0.00 0.00 173.24 175.65 1x83 h ASN 76 N -0.46 0.48 -0.34 7.02 -0.26 -1.98 -1.06 115.58 118.97 1x83 h ASN 76 Ca -0.45 -0.06 -0.12 0.00 -0.56 0.00 0.00 56.30 55.12 1x83 h ASN 76 Cb 1.21 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.35 1x83 h ASN 76 CO 0.56 0.47 -0.26 -0.33 -1.06 0.00 0.00 177.43 176.81 1x83 h GLU 77 N 0.52 0.78 -0.22 0.81 3.07 -1.97 0.37 114.58 117.95 1x83 h GLU 77 Ca 0.12 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.36 58.55 1x83 h GLU 77 Cb 0.17 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1x83 h GLU 77 CO -0.01 1.00 -0.10 -0.44 -1.40 0.00 0.00 179.01 178.06 1x83 h ASP 78 N 0.55 0.33 -0.44 1.42 3.32 -1.82 -0.80 116.42 118.98 1x83 h ASP 78 Ca 0.06 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1x83 h ASP 78 Cb 0.82 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1x83 h ASP 78 CO 0.07 0.47 0.13 0.00 -1.72 0.00 0.00 179.24 178.18 1x83 h ALA 79 N 1.57 0.58 -0.21 3.45 0.00 -0.61 0.15 119.26 124.19 1x83 h ALA 79 Ca 0.07 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1x83 h ALA 79 Cb 0.39 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1x83 h ALA 79 CO 0.02 0.24 -0.06 0.28 0.00 0.00 0.00 179.25 179.73 1x83 h VAL 80 N 0.57 0.77 -0.41 0.00 2.07 -0.23 0.44 116.25 119.46 1x83 h VAL 80 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1x83 h VAL 80 Cb 0.28 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1x83 h VAL 80 CO -0.00 0.00 0.26 0.40 0.02 0.00 0.00 177.57 178.25 1x83 h ILE 81 N -0.01 1.12 -0.35 4.57 2.04 -0.86 -0.67 117.51 123.35 1x83 h ILE 81 Ca 0.10 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1x83 h ILE 81 Cb 0.17 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1x83 h ILE 81 CO -0.23 0.12 0.16 -0.09 0.00 0.00 0.00 178.15 178.11 1x83 h ARG 82 N 0.54 0.51 0.00 2.37 2.43 -0.40 -2.23 114.38 117.61 1x83 h ARG 82 Ca 0.15 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1x83 h ARG 82 Cb -0.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1x83 h ARG 82 CO -0.03 0.48 -0.58 0.00 -1.51 0.00 0.00 179.97 178.33 1x83 h ARG 83 N 0.43 0.00 -0.83 0.20 2.47 -0.61 -0.38 114.38 115.65 1x83 h ARG 83 Ca 0.12 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1x83 h ARG 83 Cb 0.15 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.43 1x83 h ARG 83 CO -0.01 0.58 0.50 0.00 0.56 0.00 0.00 179.97 181.60 1x83 h ARG 85 N 1.14 0.80 -0.11 0.00 3.08 -1.04 -0.97 114.38 117.27 1x83 h ARG 85 Ca 0.30 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1x83 h ARG 85 Cb -0.05 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1x83 h ARG 85 CO -0.06 0.84 -0.40 -0.92 -1.07 0.00 0.00 179.97 178.37 1x83 h TYR 86 N 0.66 0.62 0.02 3.04 3.20 -0.33 -2.11 116.97 122.08 1x83 h TYR 86 Ca 0.13 -0.26 -0.27 0.00 3.14 0.00 0.00 58.73 61.47 1x83 h TYR 86 Cb 0.47 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1x83 h TYR 86 CO 0.03 1.01 -1.50 0.93 -1.64 0.00 0.00 178.16 176.99 1x83 h GLU 87 N 0.06 0.05 0.00 1.82 5.08 -0.39 -3.42 114.58 117.78 1x83 h GLU 87 Ca -0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1x83 h GLU 87 Cb 1.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1x83 h GLU 87 CO 0.08 0.76 -0.21 1.28 -1.00 0.00 0.00 179.01 179.92 1x83 n LEU 88 N -3.21 0.00 -0.26 1.33 4.77 -0.49 -1.19 117.00 117.95 1x83 n LEU 88 Ca -0.13 -0.32 -0.03 0.00 -0.03 0.00 0.00 56.01 55.50 1x83 n LEU 88 Cb 1.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.09 1x83 n LEU 88 CO 0.46 0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 177.10 1x83 n GLY 89 N 1.16 0.64 3.62 -0.72 0.00 -0.49 -0.21 105.19 109.19 1x83 n GLY 89 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1x83 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x83 s VAL 90 N -2.02 3.94 0.31 1.61 0.11 -1.01 -4.31 120.40 119.04 1x83 s VAL 90 Ca 0.00 -0.39 -0.17 0.00 -2.93 0.00 0.00 61.98 58.49 1x83 s VAL 90 Cb 0.00 -2.63 -0.09 0.00 -1.53 0.00 0.00 36.38 32.12 1x83 s VAL 90 CO 0.00 0.60 0.77 -1.61 -3.33 0.00 0.00 175.10 171.53 1x83 s GLU 91 N -0.79 4.12 0.23 1.54 0.41 -1.26 -3.67 118.70 119.27 1x83 s GLU 91 Ca 0.12 0.81 0.01 0.00 -0.41 0.00 0.00 54.97 55.50 1x83 s GLU 91 Cb -0.11 -2.51 -0.05 0.00 -1.78 0.00 0.00 34.13 29.68 1x83 s GLU 91 CO 0.02 0.19 0.07 0.96 -0.49 0.00 0.00 175.26 176.00 1x83 s ILE 92 N -1.89 0.57 0.76 -1.63 -4.36 -1.26 -0.36 121.20 113.03 1x83 s ILE 92 Ca 0.53 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.81 1x83 s ILE 92 Cb -0.12 -2.46 0.06 0.00 1.25 0.00 0.00 42.46 41.19 1x83 s ILE 92 CO 0.18 -0.16 1.13 0.42 0.24 0.00 0.00 174.94 176.76 1x83 s THR 93 N -3.74 2.53 0.02 8.37 -4.23 0.64 -4.82 115.64 114.41 1x83 s THR 93 Ca 0.33 0.13 -0.34 0.00 -1.18 0.00 0.00 61.69 60.64 1x83 s THR 93 Cb 0.07 -3.16 -0.13 0.00 1.34 0.00 0.00 72.50 70.62 1x83 s THR 93 CO 0.10 -0.21 1.76 -2.65 -0.54 0.00 0.00 174.62 173.08 1x83 n PRO 94 N -3.17 2.20 -2.14 3.99 -0.02 -1.26 -4.62 135.00 129.98 1x83 n PRO 94 Ca 0.08 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.94 1x83 n PRO 94 Cb 0.60 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1x83 n PRO 94 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1x83 s PRO 95 N 2.73 4.34 -0.05 0.52 0.04 -1.26 -4.80 135.00 136.53 1x83 s PRO 95 Ca 0.87 2.14 -0.15 0.00 0.04 0.00 0.00 61.00 63.90 1x83 s PRO 95 Cb -0.67 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.65 1x83 s PRO 95 CO 0.45 -0.32 0.38 -2.00 0.04 0.00 0.00 177.00 175.56 1x83 s GLU 96 N -0.12 4.00 -0.18 4.56 2.12 0.10 -4.88 118.70 124.29 1x83 s GLU 96 Ca 0.58 0.34 -0.29 0.00 0.36 0.00 0.00 54.97 55.96 1x83 s GLU 96 Cb -0.38 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 1x83 s GLU 96 CO 0.39 0.55 1.34 0.45 -0.54 0.00 0.00 175.26 177.46 1x83 s SER 97 N -0.59 6.81 -0.01 -1.70 0.15 -1.26 -1.02 113.70 116.08 1x83 s SER 97 Ca 0.22 1.65 0.08 0.00 0.70 0.00 0.00 55.95 58.60 1x83 s SER 97 Cb -0.16 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.50 1x83 s SER 97 CO 0.11 -0.88 0.19 2.30 1.20 0.00 0.00 173.24 176.16 1x83 n ILE 98 N 5.64 0.00 -2.85 6.45 -5.35 -0.20 -4.89 119.36 118.16 1x83 n ILE 98 Ca 0.15 -0.20 -0.07 0.00 -0.27 0.00 0.00 62.75 62.36 1x83 n ILE 98 Cb 0.45 0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 38.77 1x83 n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x83 n TYR 99 N -1.68 -3.43 0.30 4.28 9.36 -1.09 -3.95 117.16 120.95 1x83 n TYR 99 Ca -0.01 -1.64 0.14 0.00 3.32 0.00 0.00 57.90 59.71 1x83 n TYR 99 Cb 0.19 1.32 0.38 0.00 -0.63 0.00 0.00 39.34 40.59 1x83 n TYR 99 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1x83 h PRO 100 N 5.05 0.00 -0.73 2.98 0.13 -1.90 -1.60 132.00 135.93 1x83 h PRO 100 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1x83 h PRO 100 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1x83 h PRO 100 CO 0.07 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.44 1x83 n ASP 101 N -2.93 3.98 -4.72 1.44 5.75 -1.26 -4.33 116.55 114.48 1x83 n ASP 101 Ca 0.03 -2.02 -0.42 0.00 -0.01 0.00 0.00 54.79 52.38 1x83 n ASP 101 Cb 0.43 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 1x83 n ASP 101 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1x83 s PHE 102 N -1.03 3.12 0.00 2.11 5.36 -1.17 -4.91 117.98 121.46 1x83 s PHE 102 Ca 0.49 0.73 0.02 0.00 -0.96 0.00 0.00 56.93 57.21 1x83 s PHE 102 Cb 0.26 -3.85 -0.01 0.00 -0.34 0.00 0.00 43.02 39.08 1x83 s PHE 102 CO 0.33 -3.09 -0.07 0.50 -1.46 0.00 0.00 175.22 171.43 1x83 s ARG 103 N 1.13 0.54 -0.02 10.12 3.52 -1.26 0.40 118.95 133.36 1x83 s ARG 103 Ca 0.68 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 1x83 s ARG 103 Cb -0.42 -0.50 0.03 0.00 -1.56 0.00 0.00 34.95 32.51 1x83 s ARG 103 CO 0.31 0.13 0.02 0.12 -0.81 0.00 0.00 175.30 175.07 1x83 s PHE 104 N -0.30 0.11 -0.07 5.12 5.36 -0.03 -4.95 117.98 123.21 1x83 s PHE 104 Ca 0.01 0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 1x83 s PHE 104 Cb -0.03 -0.29 0.02 0.00 -0.34 0.00 0.00 43.02 42.37 1x83 s PHE 104 CO -0.00 -0.10 -0.11 0.50 -1.46 0.00 0.00 175.22 174.05 1x83 s ARG 105 N 1.10 1.61 -0.01 10.12 3.52 -1.26 -0.51 118.95 133.52 1x83 s ARG 105 Ca -0.09 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 54.86 1x83 s ARG 105 Cb -0.13 -1.40 0.08 0.00 -1.56 0.00 0.00 34.95 31.94 1x83 s ARG 105 CO -0.03 -0.03 0.72 0.00 -0.81 0.00 0.00 175.30 175.15 1x83 s ALA 106 N 0.85 -1.76 -0.17 6.12 0.00 0.01 -4.99 121.76 121.83 1x83 s ALA 106 Ca -0.11 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.93 1x83 s ALA 106 Cb -0.15 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1x83 s ALA 106 CO 0.02 -0.47 0.05 0.99 0.00 0.00 0.00 175.76 176.35 1x83 s THR 107 N -1.89 4.73 0.79 0.00 2.01 -1.26 -0.97 115.64 119.05 1x83 s THR 107 Ca -0.06 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 1x83 s THR 107 Cb -0.00 -3.11 0.13 0.00 0.01 0.00 0.00 72.50 69.52 1x83 s THR 107 CO 0.02 0.49 1.11 1.51 -0.69 0.00 0.00 174.62 177.06 1x83 s ASP 108 N 0.13 4.11 0.61 3.53 -4.77 0.16 -4.90 116.67 115.54 1x83 s ASP 108 Ca 0.04 0.15 0.33 0.00 -3.30 0.00 0.00 52.55 49.77 1x83 s ASP 108 Cb -0.12 -0.51 1.95 0.00 -1.09 0.00 0.00 42.92 43.14 1x83 s ASP 108 CO 0.01 -2.05 2.28 -0.65 0.70 0.00 0.00 175.17 175.45 1x83 h PRO 109 N -0.92 0.00 -0.35 2.11 0.11 -1.99 -1.91 132.00 129.04 1x83 h PRO 109 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1x83 h PRO 109 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1x83 h PRO 109 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 1x83 n SER 110 N -3.69 3.16 0.00 -2.05 3.41 -1.26 -4.96 113.62 108.23 1x83 n SER 110 Ca -0.03 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1x83 n SER 110 Cb 0.09 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1x83 n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x83 n GLY 111 N 1.16 0.63 3.74 5.00 0.00 -0.72 -5.07 105.19 109.93 1x83 n GLY 111 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1x83 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x83 s ILE 112 N -2.00 4.12 -0.10 -0.61 -1.09 -1.26 -4.15 121.20 116.11 1x83 s ILE 112 Ca 0.00 2.00 -0.00 0.00 -2.23 0.00 0.00 60.65 60.42 1x83 s ILE 112 Cb 0.00 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1x83 s ILE 112 CO 0.00 0.42 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.37 1x83 s VAL 113 N -0.79 3.64 -0.02 2.92 1.01 0.16 -0.66 120.40 126.66 1x83 s VAL 113 Ca 0.44 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1x83 s VAL 113 Cb -0.26 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1x83 s VAL 113 CO 0.32 0.56 0.07 -1.61 0.00 0.00 0.00 175.10 174.44 1x83 s GLU 114 N -0.37 3.04 -0.38 2.72 0.41 -0.15 -4.33 118.70 119.65 1x83 s GLU 114 Ca 0.05 -0.47 0.05 0.00 -0.41 0.00 0.00 54.97 54.19 1x83 s GLU 114 Cb -0.12 -2.85 0.16 0.00 -1.78 0.00 0.00 34.13 29.54 1x83 s GLU 114 CO 0.02 0.66 0.46 1.21 -0.49 0.00 0.00 175.26 177.12 1x83 s ASN 115 N -1.57 0.29 0.05 -0.19 2.47 -1.25 -0.81 114.94 113.93 1x83 s ASN 115 Ca 0.21 -1.27 0.02 0.00 0.42 0.00 0.00 52.86 52.24 1x83 s ASN 115 Cb -0.12 1.02 -0.03 0.00 -1.45 0.00 0.00 41.25 40.67 1x83 s ASN 115 CO 0.11 -0.24 -0.08 -1.61 -3.72 0.00 0.00 177.10 171.57 1x83 s GLU 116 N 1.62 0.57 -0.39 0.43 2.02 0.33 -1.79 118.70 121.49 1x83 s GLU 116 Ca 0.16 -0.84 -0.18 0.00 0.02 0.00 0.00 54.97 54.13 1x83 s GLU 116 Cb -0.12 -0.27 0.01 0.00 0.10 0.00 0.00 34.13 33.85 1x83 s GLU 116 CO -0.06 0.04 0.51 0.08 0.02 0.00 0.00 175.26 175.85 1x83 s VAL 117 N -1.72 5.00 -0.54 2.63 1.01 -0.43 -0.85 120.40 125.49 1x83 s VAL 117 Ca -0.07 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1x83 s VAL 117 Cb -0.08 -4.03 0.23 0.00 0.00 0.00 0.00 36.38 32.49 1x83 s VAL 117 CO -0.00 -0.36 0.58 0.00 0.00 0.00 0.00 175.10 175.31 1x83 n PRO 119 N 1.48 1.59 -4.37 0.00 -0.04 -1.23 -4.42 135.00 128.00 1x83 n PRO 119 Ca 0.25 0.56 -0.35 0.00 -0.04 0.00 0.00 63.50 63.93 1x83 n PRO 119 Cb 0.45 -1.99 -0.10 0.00 -0.04 0.00 0.00 33.50 31.81 1x83 n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x83 s VAL 120 N -1.06 4.21 0.27 0.52 1.01 -0.61 -1.81 120.40 122.92 1x83 s VAL 120 Ca 0.58 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.37 1x83 s VAL 120 Cb -0.66 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1x83 s VAL 120 CO 0.61 0.57 -0.12 -0.36 0.00 0.00 0.00 175.10 175.79 1x83 s PHE 121 N -0.53 2.03 0.04 5.22 0.40 0.71 -1.04 117.98 124.83 1x83 s PHE 121 Ca 0.09 -0.55 0.04 0.00 -0.60 0.00 0.00 56.93 55.91 1x83 s PHE 121 Cb -0.12 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.35 1x83 s PHE 121 CO 0.02 0.45 -0.12 0.00 0.70 0.00 0.00 175.22 176.27 1x83 s ALA 122 N -2.82 0.98 0.23 5.36 0.00 -0.19 -0.64 121.76 124.68 1x83 s ALA 122 Ca 0.28 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.29 1x83 s ALA 122 Cb 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1x83 s ALA 122 CO 0.12 0.14 0.51 0.00 0.00 0.00 0.00 175.76 176.53 1x83 s ALA 123 N -1.02 -0.53 -0.01 0.00 0.00 -0.76 0.01 121.76 119.45 1x83 s ALA 123 Ca -0.02 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 1x83 s ALA 123 Cb -0.08 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 23.96 1x83 s ALA 123 CO 0.01 -0.85 0.24 1.03 0.00 0.00 0.00 175.76 176.19 1x83 s ARG 124 N -3.96 3.55 0.21 0.00 1.81 -1.26 -1.58 118.95 117.71 1x83 s ARG 124 Ca 0.17 -0.11 -0.22 0.00 -1.72 0.00 0.00 55.73 53.84 1x83 s ARG 124 Cb -0.01 -3.10 -0.08 0.00 -0.45 0.00 0.00 34.95 31.30 1x83 s ARG 124 CO 0.05 0.67 0.77 0.95 -0.68 0.00 0.00 175.30 177.06 1x83 s THR 125 N -1.26 4.46 0.00 0.02 -4.23 -0.08 -0.26 115.64 114.29 1x83 s THR 125 Ca 0.26 1.50 0.00 0.00 -1.18 0.00 0.00 61.69 62.27 1x83 s THR 125 Cb -0.13 -3.97 0.00 0.00 1.34 0.00 0.00 72.50 69.73 1x83 s THR 125 CO 0.15 0.31 0.79 0.35 -0.54 0.00 0.00 174.62 175.68 1x83 n THR 126 N 1.02 0.60 -4.24 3.99 -2.24 0.51 -4.43 114.28 109.49 1x83 n THR 126 Ca -0.03 -0.77 -0.13 0.00 -2.27 0.00 0.00 64.05 60.85 1x83 n THR 126 Cb 0.50 0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 1x83 n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x83 s SER 127 N -0.60 0.57 0.96 3.42 1.04 -1.24 -4.90 113.70 112.96 1x83 s SER 127 Ca 0.00 -1.36 -0.11 0.00 0.48 0.00 0.00 55.95 54.96 1x83 s SER 127 Cb 0.00 0.28 0.17 0.00 0.10 0.00 0.00 66.02 66.57 1x83 s SER 127 CO 0.00 -0.78 1.09 0.00 0.98 0.00 0.00 173.24 174.54 1x83 s ALA 128 N -3.98 1.05 0.27 5.32 0.00 -1.26 -4.72 121.76 118.43 1x83 s ALA 128 Ca 0.36 0.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 1x83 s ALA 128 Cb 0.07 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 1x83 s ALA 128 CO 0.11 -2.84 0.76 -0.51 0.00 0.00 0.00 175.76 173.28 1x83 s LEU 129 N -6.59 4.24 -0.55 0.00 1.43 -1.26 -4.48 118.68 111.47 1x83 s LEU 129 Ca 0.66 1.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 1x83 s LEU 129 Cb -0.21 -3.82 0.16 0.00 0.03 0.00 0.00 46.19 42.35 1x83 s LEU 129 CO 0.59 -0.07 0.38 -1.10 0.23 0.00 0.00 176.35 176.39 1x83 s GLN 130 N -2.35 1.68 0.30 1.70 -1.52 0.71 -4.98 119.66 115.19 1x83 s GLN 130 Ca 0.48 -2.64 -0.29 0.00 -1.95 0.00 0.00 55.36 50.96 1x83 s GLN 130 Cb -0.14 -2.51 -0.13 0.00 -0.22 0.00 0.00 33.01 30.00 1x83 s GLN 130 CO 0.20 -1.29 1.26 -0.89 -0.25 0.00 0.00 175.29 174.31 1x83 n ILE 131 N 2.61 1.68 -3.31 1.08 2.08 -1.23 -3.11 119.36 119.17 1x83 n ILE 131 Ca 0.21 -0.42 -0.44 0.00 0.56 0.00 0.00 62.75 62.65 1x83 n ILE 131 Cb 0.39 -1.40 -0.07 0.00 -0.75 0.00 0.00 39.64 37.81 1x83 n ILE 131 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1x83 s ASN 132 N -0.19 6.17 0.59 4.38 3.84 -0.33 -4.95 114.94 124.45 1x83 s ASN 132 Ca 0.60 -1.22 0.39 0.00 0.21 0.00 0.00 52.86 52.84 1x83 s ASN 132 Cb -0.63 -2.22 1.98 0.00 -0.55 0.00 0.00 41.25 39.83 1x83 s ASN 132 CO 0.58 -0.73 2.18 0.44 -2.79 0.00 0.00 177.10 176.79 1x83 h ASP 133 N 8.83 0.00 0.83 -4.21 3.32 -1.88 0.50 116.42 123.82 1x83 h ASP 133 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1x83 h ASP 133 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1x83 h ASP 133 CO 0.91 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 178.87 1x83 h ASP 134 N 0.00 0.00 0.00 6.45 3.32 -1.96 -3.35 116.42 120.88 1x83 h ASP 134 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1x83 h ASP 134 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1x83 h ASP 134 CO 0.00 0.00 -1.07 -0.62 -1.72 0.00 0.00 179.24 175.83 1x83 n GLU 135 N -2.83 2.46 -3.95 3.56 -0.58 -0.02 -4.78 120.64 114.49 1x83 n GLU 135 Ca 0.01 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.49 1x83 n GLU 135 Cb 0.26 -1.03 -0.17 0.00 -0.57 0.00 0.00 31.44 29.93 1x83 n GLU 135 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x83 s VAL 136 N -2.03 0.89 -1.31 2.62 1.01 -0.09 -1.28 120.40 120.22 1x83 s VAL 136 Ca -0.01 -0.22 0.21 0.00 0.00 0.00 0.00 61.98 61.96 1x83 s VAL 136 Cb 0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 36.38 35.30 1x83 s VAL 136 CO 0.04 0.34 0.95 1.15 0.00 0.00 0.00 175.10 177.57 1x83 n MET 137 N 4.84 0.45 -3.56 2.72 0.00 0.03 -4.13 117.12 117.48 1x83 n MET 137 Ca -0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 57.70 57.19 1x83 n MET 137 Cb 0.50 -1.48 -0.02 0.00 0.00 0.00 0.00 33.22 32.22 1x83 n MET 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1x83 s ASP 138 N -2.81 -0.29 0.28 3.17 -1.08 -1.24 -4.98 116.67 109.72 1x83 s ASP 138 Ca 0.11 -0.07 -0.19 0.00 -0.52 0.00 0.00 52.55 51.88 1x83 s ASP 138 Cb 0.16 0.36 0.02 0.00 -1.46 0.00 0.00 42.92 42.00 1x83 s ASP 138 CO 0.77 -0.60 0.68 -0.72 0.52 0.00 0.00 175.17 175.82 1x83 s TYR 139 N -3.03 -0.07 -0.14 -5.34 -0.85 -1.26 -0.63 117.35 106.03 1x83 s TYR 139 Ca 0.07 -0.38 -0.24 0.00 -0.52 0.00 0.00 57.07 56.01 1x83 s TYR 139 Cb -0.01 0.62 0.06 0.00 0.38 0.00 0.00 41.96 43.01 1x83 s TYR 139 CO -0.07 -1.21 0.59 -1.14 -1.52 0.00 0.00 175.55 172.21 1x83 s GLN 140 N -3.87 0.83 -0.25 -3.49 2.00 -0.48 -5.00 119.66 109.40 1x83 s GLN 140 Ca 0.13 0.51 -0.18 0.00 -2.00 0.00 0.00 55.36 53.82 1x83 s GLN 140 Cb -0.05 0.39 -0.03 0.00 0.80 0.00 0.00 33.01 34.13 1x83 s GLN 140 CO 0.08 -0.18 0.54 -1.58 -0.50 0.00 0.00 175.29 173.64 1x83 s TRP 141 N -0.41 3.29 0.13 1.67 0.52 -1.26 -0.56 118.94 122.32 1x83 s TRP 141 Ca -0.06 0.70 0.03 0.00 0.02 0.00 0.00 56.10 56.79 1x83 s TRP 141 Cb -0.03 -2.73 -0.04 0.00 -1.15 0.00 0.00 33.47 29.51 1x83 s TRP 141 CO 0.04 -0.26 -0.08 0.00 0.02 0.00 0.00 176.95 176.68 1x83 s ASP 143 N -3.13 7.08 0.30 0.00 1.01 -1.26 0.01 116.67 120.68 1x83 s ASP 143 Ca 0.16 1.98 0.05 0.00 0.71 0.00 0.00 52.55 55.45 1x83 s ASP 143 Cb 0.04 -2.58 0.75 0.00 1.01 0.00 0.00 42.92 42.15 1x83 s ASP 143 CO -0.01 -0.48 1.71 0.25 0.21 0.00 0.00 175.17 176.84 1x83 h LEU 144 N 7.01 0.41 -0.32 1.23 5.85 -1.92 -1.35 115.31 126.22 1x83 h LEU 144 Ca -0.41 0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.52 1x83 h LEU 144 Cb 1.21 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 1x83 h LEU 144 CO 0.82 0.03 -0.01 0.00 -0.34 0.00 0.00 178.44 178.94 1x83 h ALA 145 N 1.71 0.28 -0.36 1.25 0.00 -1.98 0.27 119.26 120.42 1x83 h ALA 145 Ca 0.57 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.62 1x83 h ALA 145 Cb 1.08 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1x83 h ALA 145 CO -0.51 -0.41 0.12 -0.44 0.00 0.00 0.00 179.25 178.01 1x83 h ASP 146 N 0.08 0.12 -0.03 0.00 3.32 -1.66 -0.29 116.42 117.96 1x83 h ASP 146 Ca 0.15 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.26 1x83 h ASP 146 Cb 0.21 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1x83 h ASP 146 CO -0.26 0.10 -0.07 0.58 -1.72 0.00 0.00 179.24 177.87 1x83 h VAL 147 N 0.26 0.80 -0.83 -1.35 2.07 -0.77 -1.39 116.25 115.04 1x83 h VAL 147 Ca 0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.73 1x83 h VAL 147 Cb 0.15 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1x83 h VAL 147 CO -0.18 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 177.86 1x83 h LEU 148 N -0.11 0.84 -1.08 2.57 3.38 -0.23 -0.54 115.31 120.14 1x83 h LEU 148 Ca 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1x83 h LEU 148 Cb 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1x83 h LEU 148 CO -0.10 0.56 0.23 0.45 0.09 0.00 0.00 178.44 179.67 1x83 h HIS 149 N 0.99 0.89 -0.41 1.13 3.86 -0.48 -1.90 115.15 119.23 1x83 h HIS 149 Ca 0.35 -0.05 -0.13 0.00 -1.16 0.00 0.00 60.37 59.38 1x83 h HIS 149 Cb 0.09 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1x83 h HIS 149 CO -0.03 0.69 -0.25 0.78 0.86 0.00 0.00 177.93 179.98 1x83 h GLY 150 N 0.98 0.98 1.56 2.45 0.00 -0.15 -0.56 103.07 108.33 1x83 h GLY 150 Ca 0.20 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1x83 h GLY 150 CO -0.02 0.83 0.23 -2.22 0.00 0.00 0.00 176.54 175.36 1x83 h ILE 151 N 0.72 1.14 -0.18 2.60 2.04 -0.97 0.21 117.51 123.06 1x83 h ILE 151 Ca 0.09 -0.35 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 1x83 h ILE 151 Cb 0.83 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1x83 h ILE 151 CO 0.07 0.15 -0.45 -0.78 0.00 0.00 0.00 178.15 177.14 1x83 h ASP 152 N 0.59 0.72 0.00 1.72 3.58 -1.01 -2.86 116.42 119.17 1x83 h ASP 152 Ca 0.15 -0.57 -0.00 0.00 0.42 0.00 0.00 57.03 57.03 1x83 h ASP 152 Cb 0.03 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1x83 h ASP 152 CO -0.02 1.16 -0.01 0.00 -2.88 0.00 0.00 179.24 177.49 1x83 h ALA 153 N 0.58 0.00 -2.10 -0.78 0.00 -0.75 -3.41 119.26 112.81 1x83 h ALA 153 Ca -0.00 -0.43 -0.56 0.00 0.00 0.00 0.00 54.91 53.91 1x83 h ALA 153 Cb 1.07 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 1x83 h ALA 153 CO 0.10 -0.06 -0.90 0.25 0.00 0.00 0.00 179.25 178.63 1x83 n THR 154 N -4.67 0.83 0.33 0.00 -2.24 0.69 -4.95 114.28 104.27 1x83 n THR 154 Ca -0.10 -4.68 0.22 0.00 -2.27 0.00 0.00 64.05 57.22 1x83 n THR 154 Cb 0.42 -1.66 1.17 0.00 -2.10 0.00 0.00 70.33 68.16 1x83 n THR 154 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1x83 h PRO 155 N 3.77 0.00 0.00 -0.78 0.13 -1.64 -1.02 132.00 132.45 1x83 h PRO 155 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1x83 h PRO 155 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1x83 h PRO 155 CO 0.63 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.73 1x83 n TRP 156 N -3.14 0.04 1.67 1.56 4.27 -1.26 -2.72 117.44 117.85 1x83 n TRP 156 Ca -0.03 0.01 0.14 0.00 -3.89 0.00 0.00 57.50 53.73 1x83 n TRP 156 Cb 0.09 -0.52 0.64 0.00 -1.36 0.00 0.00 31.31 30.15 1x83 n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x83 n ALA 157 N -1.51 2.61 -2.32 -1.67 0.00 -0.39 -4.90 120.51 112.33 1x83 n ALA 157 Ca 0.04 -0.35 -0.17 0.00 0.00 0.00 0.00 53.44 52.97 1x83 n ALA 157 Cb 0.21 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 1x83 n ALA 157 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x83 s PHE 158 N -1.97 1.53 0.45 0.00 0.08 -1.10 -4.30 117.98 112.67 1x83 s PHE 158 Ca 0.39 -0.87 -0.25 0.00 0.12 0.00 0.00 56.93 56.32 1x83 s PHE 158 Cb 0.20 -0.87 -0.08 0.00 -0.57 0.00 0.00 43.02 41.70 1x83 s PHE 158 CO 0.32 0.01 1.34 -1.54 -0.10 0.00 0.00 175.22 175.25 1x83 s SER 159 N -3.29 6.01 0.49 1.36 1.04 0.42 -4.87 113.70 114.85 1x83 s SER 159 Ca 0.26 2.72 0.21 0.00 0.48 0.00 0.00 55.95 59.62 1x83 s SER 159 Cb 0.05 -2.64 1.24 0.00 0.10 0.00 0.00 66.02 64.77 1x83 s SER 159 CO 0.07 -1.07 2.04 1.55 0.98 0.00 0.00 173.24 176.82 1x83 h PRO 160 N 2.33 0.00 -0.01 4.02 0.13 -1.92 -2.06 132.00 134.48 1x83 h PRO 160 Ca -0.50 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.46 1x83 h PRO 160 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1x83 h PRO 160 CO 0.61 0.15 -0.77 0.11 -0.23 0.00 0.00 178.00 177.88 1x83 h TRP 161 N 0.00 0.16 -0.78 1.56 0.09 -1.99 -0.77 115.95 114.22 1x83 h TRP 161 Ca -0.00 -0.08 -0.05 0.00 0.09 0.00 0.00 58.89 58.85 1x83 h TRP 161 Cb 0.32 -0.02 -0.03 0.00 0.08 0.00 0.00 29.16 29.50 1x83 h TRP 161 CO 0.00 0.83 0.29 1.98 0.09 0.00 0.00 178.44 181.63 1x83 h MET 162 N 0.07 1.18 -0.36 0.12 4.05 -1.75 -0.34 114.93 117.90 1x83 h MET 162 Ca -0.02 -0.23 -0.04 0.00 -0.28 0.00 0.00 59.70 59.13 1x83 h MET 162 Cb 1.34 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.95 1x83 h MET 162 CO 0.11 0.97 0.08 0.28 0.23 0.00 0.00 176.91 178.58 1x83 h VAL 163 N 1.14 1.23 -0.27 -5.77 2.07 -1.35 -1.44 116.25 111.86 1x83 h VAL 163 Ca 0.26 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 1x83 h VAL 163 Cb 0.25 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1x83 h VAL 163 CO -0.02 0.27 -0.29 0.24 0.02 0.00 0.00 177.57 177.80 1x83 h MET 164 N 0.44 0.54 -0.30 1.57 2.86 -0.79 -0.67 114.93 118.58 1x83 h MET 164 Ca 0.11 -0.22 -0.15 0.00 -2.06 0.00 0.00 59.70 57.38 1x83 h MET 164 Cb 0.32 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1x83 h MET 164 CO 0.00 0.77 -0.41 1.96 1.06 0.00 0.00 176.91 180.30 1x83 h GLN 165 N 0.47 0.81 0.00 1.72 4.20 -1.04 -2.90 115.11 118.37 1x83 h GLN 165 Ca 0.06 -0.47 -0.00 0.00 0.06 0.00 0.00 58.65 58.30 1x83 h GLN 165 Cb 0.74 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 1x83 h GLN 165 CO 0.06 1.10 -0.02 0.00 -0.67 0.00 0.00 178.83 179.30 1x83 h ALA 166 N 0.70 1.01 -0.02 3.87 0.00 -1.05 -2.78 119.26 121.00 1x83 h ALA 166 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x83 h ALA 166 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x83 h ALA 166 CO 0.10 0.03 -0.24 0.25 0.00 0.00 0.00 179.25 179.38 1x83 n THR 167 N -3.13 0.00 -2.46 0.00 -2.24 -0.27 -4.59 114.28 101.58 1x83 n THR 167 Ca -0.00 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 1x83 n THR 167 Cb 0.28 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1x83 n THR 167 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1x83 s ASN 168 N -2.32 7.07 0.15 3.42 3.84 -1.05 -4.93 114.94 121.12 1x83 s ASN 168 Ca 0.25 1.86 -0.18 0.00 0.21 0.00 0.00 52.86 55.00 1x83 s ASN 168 Cb 0.19 -2.56 0.04 0.00 -0.55 0.00 0.00 41.25 38.37 1x83 s ASN 168 CO 0.47 -0.55 1.70 -0.09 -2.79 0.00 0.00 177.10 175.83 1x83 h ARG 169 N 7.30 0.03 -0.35 0.43 2.43 -1.89 -0.47 114.38 121.85 1x83 h ARG 169 Ca -0.36 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.71 1x83 h ARG 169 Cb 1.18 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1x83 h ARG 169 CO 0.86 0.02 -0.16 0.93 -1.51 0.00 0.00 179.97 180.11 1x83 h GLU 170 N 0.03 0.74 -0.49 0.20 3.07 -1.91 -2.19 114.58 114.02 1x83 h GLU 170 Ca 0.14 -0.32 0.03 0.00 -0.50 0.00 0.00 59.36 58.72 1x83 h GLU 170 Cb 0.21 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 1x83 h GLU 170 CO -0.28 0.93 0.28 0.00 -1.40 0.00 0.00 179.01 178.53 1x83 h ALA 171 N 0.79 0.63 -0.70 3.43 0.00 -1.60 -2.48 119.26 119.33 1x83 h ALA 171 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1x83 h ALA 171 Cb 0.70 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1x83 h ALA 171 CO 0.05 -0.04 0.34 -0.09 0.00 0.00 0.00 179.25 179.51 1x83 h ARG 172 N 0.55 0.98 -0.80 0.00 2.43 -0.82 -0.90 114.38 115.82 1x83 h ARG 172 Ca 0.21 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1x83 h ARG 172 Cb 0.06 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1x83 h ARG 172 CO -0.11 0.75 0.53 0.87 -1.51 0.00 0.00 179.97 180.50 1x83 h LYS 173 N 0.98 0.98 -0.31 0.20 1.57 -0.96 -0.73 116.57 118.31 1x83 h LYS 173 Ca 0.24 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1x83 h LYS 173 Cb 0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1x83 h LYS 173 CO -0.03 0.65 -0.13 0.00 -0.57 0.00 0.00 179.45 179.37 1x83 h ARG 174 N 1.01 0.62 -0.94 3.15 -0.00 -0.92 -1.66 114.38 115.64 1x83 h ARG 174 Ca 0.32 -0.26 0.03 0.00 -0.50 0.00 0.00 59.98 59.56 1x83 h ARG 174 Cb 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 29.97 29.91 1x83 h ARG 174 CO -0.09 0.84 0.62 -0.07 0.00 0.00 0.00 179.97 181.27 1x83 h LEU 175 N 0.38 1.04 -1.14 3.04 3.38 -0.60 -0.45 115.31 120.97 1x83 h LEU 175 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1x83 h LEU 175 Cb 0.64 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1x83 h LEU 175 CO 0.04 0.73 0.32 0.28 0.09 0.00 0.00 178.44 179.90 1x83 h SER 176 N 1.22 0.83 -0.13 -0.43 0.02 -0.86 -1.40 113.55 112.79 1x83 h SER 176 Ca 0.36 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1x83 h SER 176 Cb -0.05 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1x83 h SER 176 CO -0.10 0.70 0.07 0.00 -1.14 0.00 0.00 176.83 176.36 1x83 h ALA 177 N 1.43 1.83 -0.00 3.77 0.00 -0.11 -1.95 119.26 124.22 1x83 h ALA 177 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1x83 h ALA 177 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1x83 h ALA 177 CO -0.03 0.15 -0.00 1.19 0.00 0.00 0.00 179.25 180.55 1x83 n PHE 178 N -4.48 0.00 0.97 0.00 3.01 -0.53 -3.15 117.46 113.28 1x83 n PHE 178 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.58 1x83 n PHE 178 Cb 0.11 -0.01 0.45 0.00 -0.01 0.00 0.00 39.48 40.01 1x83 n PHE 178 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1x83 n THR 179 N -0.99 0.04 -1.96 4.37 -2.24 -0.73 -4.43 114.28 108.33 1x83 n THR 179 Ca 0.24 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.58 1x83 n THR 179 Cb 0.12 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1x83 n THR 179 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1x83 s GLN 180 N -3.01 4.24 0.13 -0.78 0.74 -1.19 -4.24 119.66 115.54 1x83 s GLN 180 Ca 0.12 2.38 -0.31 0.00 0.05 0.00 0.00 55.36 57.60 1x83 s GLN 180 Cb 0.18 -3.05 -0.09 0.00 1.10 0.00 0.00 33.01 31.15 1x83 s GLN 180 CO 0.61 -0.40 1.56 -1.17 -0.55 0.00 0.00 175.29 175.34 1x83 s LEU 181 N -1.38 4.37 -0.15 3.68 0.20 -1.26 -4.22 118.68 119.91 1x83 s LEU 181 Ca 0.54 2.52 -0.04 0.00 0.69 0.00 0.00 54.13 57.84 1x83 s LEU 181 Cb -0.43 -3.58 0.07 0.00 -0.43 0.00 0.00 46.19 41.82 1x83 s LEU 181 CO 0.53 -0.81 0.23 -0.75 -0.29 0.00 0.00 176.35 175.26 1x83 s LYS 182 N 1.54 0.15 0.00 1.98 2.20 -0.24 -5.02 119.74 120.35 1x83 s LYS 182 Ca 0.70 0.52 0.25 0.00 -0.36 0.00 0.00 55.97 57.08 1x83 s LYS 182 Cb -0.41 -0.50 1.49 0.00 -1.51 0.00 0.00 37.83 36.90 1x83 s LYS 182 CO 0.31 -0.43 1.85 1.28 -0.36 0.00 0.00 175.35 178.00