#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppv n HIS 5 N 0.00 -0.75 -4.41 4.31 1.44 -1.26 -1.71 115.22 112.83 1ppv n HIS 5 Ca 0.00 -2.05 -0.26 0.00 -2.01 0.00 0.00 57.72 53.40 1ppv n HIS 5 Cb 0.00 0.27 -0.11 0.00 0.12 0.00 0.00 29.99 30.27 1ppv n HIS 5 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1ppv s VAL 6 N -2.95 2.55 -0.42 0.61 -7.23 0.22 -4.63 120.40 108.56 1ppv s VAL 6 Ca 0.28 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 1ppv s VAL 6 Cb 0.01 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 34.70 1ppv s VAL 6 CO 0.20 -0.20 0.48 -0.63 -0.31 0.00 0.00 175.10 174.64 1ppv s ILE 7 N -1.92 5.04 0.27 -0.62 -1.09 -1.26 -1.99 121.20 119.63 1ppv s ILE 7 Ca 0.24 -0.22 -0.29 0.00 -2.23 0.00 0.00 60.65 58.14 1ppv s ILE 7 Cb -0.07 -4.06 -0.09 0.00 -1.58 0.00 0.00 42.46 36.65 1ppv s ILE 7 CO 0.12 -0.44 1.21 -0.76 -1.23 0.00 0.00 174.94 173.84 1ppv s LEU 8 N 2.28 4.48 0.05 2.97 1.43 0.21 -1.21 118.68 128.89 1ppv s LEU 8 Ca 0.14 2.42 0.08 0.00 -1.03 0.00 0.00 54.13 55.74 1ppv s LEU 8 Cb -0.16 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1ppv s LEU 8 CO 0.15 -0.35 -0.22 -0.76 0.23 0.00 0.00 176.35 175.40 1ppv s LEU 9 N -1.21 2.18 0.00 1.79 1.43 -0.44 -0.89 118.68 121.54 1ppv s LEU 9 Ca 0.49 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1ppv s LEU 9 Cb -0.35 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 44.87 1ppv s LEU 9 CO 0.44 0.17 0.19 -0.46 0.23 0.00 0.00 176.35 176.92 1ppv n ASN 10 N 1.76 0.15 -0.13 2.29 2.04 -0.22 -4.49 115.26 116.66 1ppv n ASN 10 Ca -0.17 -1.15 0.23 0.00 -0.44 0.00 0.00 54.58 53.05 1ppv n ASN 10 Cb 0.53 -0.13 0.66 0.00 -2.53 0.00 0.00 39.78 38.31 1ppv n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ppv h ALA 11 N -1.03 2.57 -1.40 -2.53 0.00 -1.99 -3.37 119.26 111.51 1ppv h ALA 11 Ca -0.06 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.40 1ppv h ALA 11 Cb 0.20 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ppv h ALA 11 CO 0.06 -0.79 -0.20 -1.14 0.00 0.00 0.00 179.25 177.17 1ppv s GLN 12 N -5.09 2.70 0.00 0.00 0.74 -1.26 -4.95 119.66 111.79 1ppv s GLN 12 Ca -0.06 -1.24 0.00 0.00 0.05 0.00 0.00 55.36 54.12 1ppv s GLN 12 Cb 0.21 -2.70 0.00 0.00 1.10 0.00 0.00 33.01 31.62 1ppv s GLN 12 CO 0.76 -0.43 0.78 0.41 -0.55 0.00 0.00 175.29 176.26 1ppv n GLY 13 N -1.98 1.34 3.64 2.59 0.00 -1.26 -4.83 105.19 104.69 1ppv n GLY 13 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1ppv n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ppv s VAL 14 N 0.53 4.74 0.56 1.61 1.01 -1.26 -4.87 120.40 122.73 1ppv s VAL 14 Ca 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 1ppv s VAL 14 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1ppv s VAL 14 CO 0.00 0.47 1.26 -2.84 0.00 0.00 0.00 175.10 174.00 1ppv s PRO 15 N 0.28 3.09 0.00 2.72 0.02 -1.26 -1.05 135.00 138.79 1ppv s PRO 15 Ca 0.03 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.04 1ppv s PRO 15 Cb -0.12 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1ppv s PRO 15 CO 0.00 -1.16 0.00 0.25 -0.33 0.00 0.00 177.00 175.77 1ppv n THR 16 N -1.28 0.00 -3.80 0.99 -2.24 -0.07 -4.84 114.28 103.04 1ppv n THR 16 Ca 0.12 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1ppv n THR 16 Cb 0.48 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1ppv n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ppv n GLY 17 N 0.68 -1.11 3.43 3.38 0.00 -1.25 -5.02 105.19 105.31 1ppv n GLY 17 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 1ppv n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ppv s THR 18 N -3.00 1.61 -0.09 2.61 -4.23 -1.26 -0.62 115.64 110.67 1ppv s THR 18 Ca 0.00 -2.11 -0.06 0.00 -1.18 0.00 0.00 61.69 58.34 1ppv s THR 18 Cb 0.00 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1ppv s THR 18 CO 0.00 -0.27 0.22 -0.22 -0.54 0.00 0.00 174.62 173.81 1ppv s LEU 19 N -3.45 0.82 0.31 4.79 0.20 -0.84 -4.90 118.68 115.61 1ppv s LEU 19 Ca 0.30 0.45 -0.28 0.00 0.69 0.00 0.00 54.13 55.29 1ppv s LEU 19 Cb 0.04 0.69 -0.13 0.00 -0.43 0.00 0.00 46.19 46.36 1ppv s LEU 19 CO 0.12 -0.12 1.14 1.21 -0.29 0.00 0.00 176.35 178.41 1ppv n GLU 20 N 3.63 1.70 -0.04 1.98 0.00 -1.26 -0.61 120.64 126.04 1ppv n GLU 20 Ca -0.19 0.59 -0.13 0.00 0.00 0.00 0.00 57.16 57.43 1ppv n GLU 20 Cb 0.55 -2.06 -0.08 0.00 0.00 0.00 0.00 31.44 29.85 1ppv n GLU 20 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1ppv h LYS 21 N 2.29 0.20 0.25 5.31 3.64 -1.59 -1.00 116.57 125.66 1ppv h LYS 21 Ca -0.42 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1ppv h LYS 21 Cb 1.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 1ppv h LYS 21 CO 0.62 0.62 -0.41 -0.92 -2.27 0.00 0.00 179.45 177.08 1ppv h TYR 22 N -0.22 -1.14 -0.71 1.91 3.20 -1.91 -1.90 116.97 116.20 1ppv h TYR 22 Ca 0.01 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.10 1ppv h TYR 22 Cb 0.58 0.47 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1ppv h TYR 22 CO 0.09 -0.54 0.51 0.00 -1.64 0.00 0.00 178.16 176.58 1ppv h ALA 23 N -0.31 2.62 0.00 1.82 0.00 -1.94 -2.55 119.26 118.91 1ppv h ALA 23 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ppv h ALA 23 Cb 0.71 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ppv h ALA 23 CO -0.16 -0.82 -0.15 0.00 0.00 0.00 0.00 179.25 178.12 1ppv h ALA 24 N 1.65 0.99 -2.69 0.00 0.00 -0.33 -3.41 119.26 115.48 1ppv h ALA 24 Ca 0.34 -0.13 -0.72 0.00 0.00 0.00 0.00 54.91 54.39 1ppv h ALA 24 Cb 1.31 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.80 1ppv h ALA 24 CO -0.02 0.19 -0.43 -1.01 0.00 0.00 0.00 179.25 177.98 1ppv s HIS 25 N -3.55 3.35 0.00 0.00 3.76 -0.96 -4.31 115.29 113.57 1ppv s HIS 25 Ca 0.02 -1.54 0.00 0.00 -0.15 0.00 0.00 55.06 53.39 1ppv s HIS 25 Cb 0.09 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.66 1ppv s HIS 25 CO 0.62 -0.88 0.00 0.25 -0.85 0.00 0.00 174.74 173.88 1ppv n THR 26 N 4.95 0.00 0.46 1.30 -2.24 -1.26 -4.88 114.28 112.61 1ppv n THR 26 Ca -0.10 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1ppv n THR 26 Cb 0.42 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 68.99 1ppv n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ppv n ALA 27 N -3.00 1.64 -1.71 6.98 0.00 -1.26 -0.72 120.51 122.44 1ppv n ALA 27 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.48 1ppv n ALA 27 Cb 0.00 -1.26 0.12 0.00 0.00 0.00 0.00 19.45 18.31 1ppv n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ppv n ASP 28 N -1.65 1.48 -4.64 0.00 10.43 -1.26 -4.76 116.55 116.14 1ppv n ASP 28 Ca 0.03 -3.01 -0.53 0.00 2.57 0.00 0.00 54.79 53.85 1ppv n ASP 28 Cb 0.17 -0.41 -0.06 0.00 1.84 0.00 0.00 41.12 42.67 1ppv n ASP 28 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1ppv n THR 29 N -0.70 0.14 -2.10 -3.53 -1.04 -1.24 -4.96 114.28 100.84 1ppv n THR 29 Ca 0.13 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.79 1ppv n THR 29 Cb 0.77 -1.06 -0.01 0.00 -1.82 0.00 0.00 70.33 68.22 1ppv n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ppv s ARG 30 N 1.76 3.66 0.33 -2.82 0.52 -1.26 -4.73 118.95 116.40 1ppv s ARG 30 Ca 0.89 0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 56.74 1ppv s ARG 30 Cb -0.97 -2.09 -0.11 0.00 0.52 0.00 0.00 34.95 32.30 1ppv s ARG 30 CO 0.53 -0.52 1.56 -1.17 0.02 0.00 0.00 175.30 175.72 1ppv s LEU 31 N -4.62 4.33 0.30 2.53 2.96 -1.26 -4.65 118.68 118.28 1ppv s LEU 31 Ca 0.58 3.00 -0.16 0.00 -0.22 0.00 0.00 54.13 57.33 1ppv s LEU 31 Cb -0.11 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 42.95 1ppv s LEU 31 CO 0.41 -0.91 0.65 -1.38 -1.32 0.00 0.00 176.35 173.81 1ppv s HIS 32 N -0.42 0.12 0.03 5.38 -3.43 -0.70 -1.33 115.29 114.93 1ppv s HIS 32 Ca 0.59 -0.59 -0.20 0.00 -0.80 0.00 0.00 55.06 54.07 1ppv s HIS 32 Cb -0.48 0.54 -0.06 0.00 -1.43 0.00 0.00 32.58 31.16 1ppv s HIS 32 CO 0.54 -1.24 0.58 -1.17 -2.00 0.00 0.00 174.74 171.44 1ppv s LEU 33 N -3.00 4.46 0.33 5.38 2.96 -0.35 -1.21 118.68 127.26 1ppv s LEU 33 Ca 0.17 1.19 -0.03 0.00 -0.22 0.00 0.00 54.13 55.24 1ppv s LEU 33 Cb -0.04 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.76 1ppv s LEU 33 CO 0.10 0.18 0.47 0.00 -1.32 0.00 0.00 176.35 175.77 1ppv s ALA 34 N -0.59 0.73 0.09 5.97 0.00 -0.55 -4.29 121.76 123.11 1ppv s ALA 34 Ca 0.30 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1ppv s ALA 34 Cb -0.19 1.16 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 1ppv s ALA 34 CO 0.18 -0.79 0.07 -0.59 0.00 0.00 0.00 175.76 174.62 1ppv s PHE 35 N -3.14 0.54 0.00 0.00 -0.12 -0.02 -3.76 117.98 111.49 1ppv s PHE 35 Ca 0.30 -1.00 0.02 0.00 -0.05 0.00 0.00 56.93 56.20 1ppv s PHE 35 Cb -0.00 -0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 42.06 1ppv s PHE 35 CO 0.19 -0.48 -0.05 0.45 -0.05 0.00 0.00 175.22 175.28 1ppv s SER 36 N -2.95 0.62 0.04 1.98 0.15 -0.93 -1.62 113.70 110.98 1ppv s SER 36 Ca 0.13 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.64 1ppv s SER 36 Cb 0.07 -0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1ppv s SER 36 CO -0.06 0.02 -0.09 -0.55 1.20 0.00 0.00 173.24 173.76 1ppv s SER 37 N -0.34 0.98 -0.17 5.45 0.15 0.13 -0.83 113.70 119.06 1ppv s SER 37 Ca 0.00 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.20 1ppv s SER 37 Cb -0.03 -0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 1ppv s SER 37 CO -0.00 -0.11 -0.19 0.26 1.20 0.00 0.00 173.24 174.40 1ppv s TRP 38 N -1.06 2.77 -0.08 3.44 0.52 0.37 -2.36 118.94 122.55 1ppv s TRP 38 Ca -0.05 -1.45 0.01 0.00 0.02 0.00 0.00 56.10 54.63 1ppv s TRP 38 Cb -0.08 -1.91 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 1ppv s TRP 38 CO 0.01 -0.70 -0.10 -0.51 0.02 0.00 0.00 176.95 175.66 1ppv s LEU 39 N 1.14 2.97 0.02 2.99 1.43 -1.26 -1.44 118.68 124.53 1ppv s LEU 39 Ca 0.01 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1ppv s LEU 39 Cb -0.14 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1ppv s LEU 39 CO -0.08 0.31 -0.17 -0.36 0.23 0.00 0.00 176.35 176.28 1ppv s PHE 40 N -0.52 1.48 0.52 0.29 0.40 -0.44 -1.06 117.98 118.65 1ppv s PHE 40 Ca 0.07 -0.33 -0.05 0.00 -0.60 0.00 0.00 56.93 56.02 1ppv s PHE 40 Cb -0.12 -0.90 0.11 0.00 0.51 0.00 0.00 43.02 42.62 1ppv s PHE 40 CO 0.02 0.03 0.71 0.27 0.70 0.00 0.00 175.22 176.95 1ppv n ASN 41 N 2.16 0.46 -0.18 1.36 0.23 -0.35 -0.81 115.26 118.13 1ppv n ASN 41 Ca -0.16 -1.50 0.03 0.00 -0.53 0.00 0.00 54.58 52.41 1ppv n ASN 41 Cb 0.54 -0.51 0.30 0.00 -2.08 0.00 0.00 39.78 38.04 1ppv n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ppv h ALA 42 N -1.19 1.57 0.00 -2.53 0.00 -1.83 -0.87 119.26 114.41 1ppv h ALA 42 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ppv h ALA 42 Cb 0.74 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ppv h ALA 42 CO 0.20 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.45 1ppv n LYS 43 N -4.45 0.21 -0.03 0.00 5.02 -1.26 -0.56 118.16 117.09 1ppv n LYS 43 Ca 0.08 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1ppv n LYS 43 Cb 0.10 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1ppv n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ppv n GLY 44 N 0.01 0.69 3.78 0.72 0.00 -0.33 -4.06 105.19 105.99 1ppv n GLY 44 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1ppv n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ppv s GLN 45 N -0.97 4.21 0.03 1.61 -0.21 -1.26 -4.33 119.66 118.73 1ppv s GLN 45 Ca 0.00 1.57 -0.21 0.00 0.02 0.00 0.00 55.36 56.74 1ppv s GLN 45 Cb 0.00 -2.63 -0.06 0.00 1.00 0.00 0.00 33.01 31.33 1ppv s GLN 45 CO 0.00 -0.12 0.61 -1.17 -2.12 0.00 0.00 175.29 172.49 1ppv s LEU 46 N -2.50 4.46 -0.42 2.90 2.96 0.11 -1.21 118.68 124.99 1ppv s LEU 46 Ca 0.56 1.24 -0.25 0.00 -0.22 0.00 0.00 54.13 55.46 1ppv s LEU 46 Cb -0.24 -2.96 0.02 0.00 0.50 0.00 0.00 46.19 43.51 1ppv s LEU 46 CO 0.30 0.15 0.88 -0.22 -1.32 0.00 0.00 176.35 176.14 1ppv s LEU 47 N -0.48 4.06 0.01 -0.68 2.96 -0.23 -0.97 118.68 123.35 1ppv s LEU 47 Ca 0.31 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1ppv s LEU 47 Cb -0.19 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1ppv s LEU 47 CO 0.19 -0.93 0.18 -0.69 -1.32 0.00 0.00 176.35 173.78 1ppv s VAL 48 N 3.51 5.34 0.13 1.68 1.01 -0.07 -3.46 120.40 128.53 1ppv s VAL 48 Ca 0.35 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.12 1ppv s VAL 48 Cb -0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1ppv s VAL 48 CO 0.22 0.27 -0.11 0.42 0.00 0.00 0.00 175.10 175.90 1ppv s THR 49 N -1.37 1.19 -0.26 3.92 -4.23 -0.77 -1.42 115.64 112.70 1ppv s THR 49 Ca 0.29 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1ppv s THR 49 Cb -0.13 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.06 1ppv s THR 49 CO 0.21 -0.62 -0.02 -0.60 -0.54 0.00 0.00 174.62 173.06 1ppv s ARG 50 N -3.27 3.00 0.35 3.99 3.52 0.26 -0.75 118.95 126.04 1ppv s ARG 50 Ca 0.13 -0.88 -0.28 0.00 -0.13 0.00 0.00 55.73 54.57 1ppv s ARG 50 Cb -0.01 -3.11 -0.12 0.00 -1.56 0.00 0.00 34.95 30.16 1ppv s ARG 50 CO 0.01 -0.38 1.25 0.54 -0.81 0.00 0.00 175.30 175.91 1ppv n ARG 51 N 4.75 1.99 -1.34 5.12 1.74 -0.26 -0.75 116.66 127.91 1ppv n ARG 51 Ca -0.16 0.70 -0.33 0.00 -0.77 0.00 0.00 57.85 57.29 1ppv n ARG 51 Cb 0.48 -2.27 0.10 0.00 -1.02 0.00 0.00 32.46 29.74 1ppv n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ppv s ALA 52 N -1.11 2.11 -0.05 7.54 0.00 -0.45 -1.13 121.76 128.67 1ppv s ALA 52 Ca 0.57 0.62 0.30 0.00 0.00 0.00 0.00 51.96 53.45 1ppv s ALA 52 Cb -0.58 -3.39 1.38 0.00 0.00 0.00 0.00 23.12 20.53 1ppv s ALA 52 CO 0.61 -1.88 1.91 -0.07 0.00 0.00 0.00 175.76 176.34 1ppv h LEU 53 N -0.68 0.00 -0.11 0.00 3.38 -1.91 -2.57 115.31 113.42 1ppv h LEU 53 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1ppv h LEU 53 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ppv h LEU 53 CO 0.49 0.00 -0.13 -1.54 0.09 0.00 0.00 178.44 177.35 1ppv n SER 54 N -2.69 0.31 -4.77 -0.43 3.41 -1.26 -4.77 113.62 103.41 1ppv n SER 54 Ca 0.00 -0.21 -0.41 0.00 -0.26 0.00 0.00 58.87 58.00 1ppv n SER 54 Cb 0.21 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1ppv n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ppv s LYS 55 N -2.70 4.17 0.17 4.33 -0.14 -0.98 -4.91 119.74 119.68 1ppv s LYS 55 Ca 0.22 2.35 -0.09 0.00 -1.36 0.00 0.00 55.97 57.09 1ppv s LYS 55 Cb 0.19 -2.96 0.05 0.00 -1.68 0.00 0.00 37.83 33.43 1ppv s LYS 55 CO 0.52 -0.39 1.60 -0.22 -0.76 0.00 0.00 175.35 176.10 1ppv h LYS 56 N 3.08 1.03 -6.44 1.68 3.64 -1.91 -3.35 116.57 114.29 1ppv h LYS 56 Ca -0.50 -0.38 -0.69 0.00 -1.27 0.00 0.00 60.65 57.81 1ppv h LYS 56 Cb 1.24 -0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 32.75 1ppv h LYS 56 CO 0.64 1.07 -0.80 0.00 -2.27 0.00 0.00 179.45 178.10 1ppv s ALA 57 N -4.83 2.57 -1.42 5.00 0.00 -1.26 -4.67 121.76 117.15 1ppv s ALA 57 Ca -0.11 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.66 1ppv s ALA 57 Cb 0.13 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1ppv s ALA 57 CO 0.86 0.56 0.24 0.91 0.00 0.00 0.00 175.76 178.33 1ppv n TRP 58 N 2.12 -1.28 -1.93 0.00 8.01 -1.26 -4.92 117.44 118.18 1ppv n TRP 58 Ca -0.17 0.40 -0.39 0.00 -1.31 0.00 0.00 57.50 56.04 1ppv n TRP 58 Cb 0.52 -2.75 0.02 0.00 -2.01 0.00 0.00 31.31 27.09 1ppv n TRP 58 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1ppv s PRO 59 N -7.40 3.50 -0.95 -0.99 0.04 -1.26 -3.12 135.00 124.82 1ppv s PRO 59 Ca 0.18 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1ppv s PRO 59 Cb -0.10 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1ppv s PRO 59 CO 0.98 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1ppv n GLY 60 N 0.63 1.05 3.67 0.56 0.00 -0.28 -4.92 105.19 105.90 1ppv n GLY 60 Ca 0.08 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1ppv n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ppv s VAL 61 N -2.25 4.28 0.17 1.61 1.01 -1.18 -4.79 120.40 119.24 1ppv s VAL 61 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1ppv s VAL 61 Cb 0.00 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1ppv s VAL 61 CO 0.00 0.60 0.91 0.26 0.00 0.00 0.00 175.10 176.87 1ppv s TRP 62 N -0.81 3.89 0.33 5.22 0.52 -1.26 -1.11 118.94 125.72 1ppv s TRP 62 Ca 0.12 1.80 -0.09 0.00 0.02 0.00 0.00 56.10 57.95 1ppv s TRP 62 Cb -0.11 -2.97 0.04 0.00 -1.15 0.00 0.00 33.47 29.28 1ppv s TRP 62 CO 0.02 0.36 0.60 -2.37 0.02 0.00 0.00 176.95 175.58 1ppv n THR 63 N 2.09 0.00 -0.92 2.01 5.66 0.07 -0.94 114.28 122.26 1ppv n THR 63 Ca -0.01 -1.10 -0.04 0.00 -3.05 0.00 0.00 64.05 59.85 1ppv n THR 63 Cb 0.48 0.89 0.03 0.00 -1.55 0.00 0.00 70.33 70.19 1ppv n THR 63 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ppv n ASN 64 N -1.53 -0.44 0.15 1.09 0.23 -1.26 -1.85 115.26 111.63 1ppv n ASN 64 Ca -0.05 -0.88 -0.13 0.00 -0.53 0.00 0.00 54.58 52.99 1ppv n ASN 64 Cb 0.51 -0.15 -0.08 0.00 -2.08 0.00 0.00 39.78 37.99 1ppv n ASN 64 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1ppv h SER 65 N -0.64 -0.33 -3.80 0.53 0.02 -1.53 -3.34 113.55 104.46 1ppv h SER 65 Ca -0.06 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 1ppv h SER 65 Cb 0.17 0.08 -0.25 0.00 0.14 0.00 0.00 62.40 62.55 1ppv h SER 65 CO 0.04 0.04 -0.28 0.54 -1.14 0.00 0.00 176.83 176.03 1ppv s VAL 66 N -4.66 -0.00 0.09 2.27 0.11 -0.99 -4.73 120.40 112.48 1ppv s VAL 66 Ca -0.14 0.01 0.05 0.00 -2.93 0.00 0.00 61.98 58.97 1ppv s VAL 66 Cb 0.02 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1ppv s VAL 66 CO 0.55 0.01 -0.13 0.00 -3.33 0.00 0.00 175.10 172.19 1ppv n GLY 68 N 0.94 1.08 2.89 0.00 0.00 -0.64 -4.99 105.19 104.48 1ppv n GLY 68 Ca -0.19 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1ppv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ppv s HIS 69 N -2.83 1.95 0.56 1.61 3.76 -1.26 -0.84 115.29 118.25 1ppv s HIS 69 Ca 0.00 -1.38 -0.21 0.00 -0.15 0.00 0.00 55.06 53.31 1ppv s HIS 69 Cb 0.00 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 1ppv s HIS 69 CO 0.00 -0.70 1.32 -2.30 -0.85 0.00 0.00 174.74 172.22 1ppv n PRO 70 N 4.80 1.56 -3.19 8.40 -0.02 -1.26 -4.99 135.00 140.30 1ppv n PRO 70 Ca -0.12 0.58 -0.18 0.00 -2.02 0.00 0.00 63.50 61.76 1ppv n PRO 70 Cb 0.46 -2.54 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 1ppv n PRO 70 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ppv s GLN 71 N -2.93 2.95 0.19 -0.52 -1.52 -1.26 -4.41 119.66 112.16 1ppv s GLN 71 Ca 0.73 -1.09 -0.33 0.00 -1.95 0.00 0.00 55.36 52.72 1ppv s GLN 71 Cb -0.41 -2.77 -0.13 0.00 -0.22 0.00 0.00 33.01 29.48 1ppv s GLN 71 CO 0.48 -0.15 1.59 -0.11 -0.25 0.00 0.00 175.29 176.85 1ppv n LEU 72 N -1.79 3.36 0.00 2.90 7.94 -1.26 -1.59 117.00 126.56 1ppv n LEU 72 Ca 0.04 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1ppv n LEU 72 Cb 0.59 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.07 1ppv n LEU 72 CO 0.41 -0.19 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 1ppv n GLY 73 N 3.33 1.29 3.82 -3.96 0.00 -1.26 -5.03 105.19 103.38 1ppv n GLY 73 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1ppv n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ppv s GLU 74 N -0.39 3.79 0.69 1.61 2.12 -0.62 -5.10 118.70 120.80 1ppv s GLU 74 Ca 0.00 0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.22 1ppv s GLU 74 Cb 0.00 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 31.13 1ppv s GLU 74 CO 0.00 0.60 1.06 -1.54 -0.54 0.00 0.00 175.26 174.84 1ppv s SER 75 N -0.58 5.34 0.25 -1.70 1.04 -1.26 -4.74 113.70 112.05 1ppv s SER 75 Ca 0.16 1.68 -0.05 0.00 0.48 0.00 0.00 55.95 58.22 1ppv s SER 75 Cb -0.13 -2.51 0.28 0.00 0.10 0.00 0.00 66.02 63.76 1ppv s SER 75 CO 0.05 -1.47 1.82 0.78 0.98 0.00 0.00 173.24 175.40 1ppv h ASN 76 N -0.56 0.98 -0.81 7.02 -0.26 -1.98 -1.77 115.58 118.21 1ppv h ASN 76 Ca -0.44 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.14 1ppv h ASN 76 Cb 1.21 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 38.18 1ppv h ASN 76 CO 0.56 0.87 0.44 -0.33 -1.06 0.00 0.00 177.43 177.91 1ppv h GLU 77 N 1.05 1.13 -0.35 0.81 3.07 -1.96 -0.48 114.58 117.85 1ppv h GLU 77 Ca 0.25 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 1ppv h GLU 77 Cb 0.19 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1ppv h GLU 77 CO -0.02 0.84 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.83 1ppv h ASP 78 N 1.12 0.62 -0.65 1.42 3.32 -1.83 -2.06 116.42 118.37 1ppv h ASP 78 Ca 0.28 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1ppv h ASP 78 Cb 0.04 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1ppv h ASP 78 CO -0.04 0.80 0.25 0.00 -1.72 0.00 0.00 179.24 178.52 1ppv h ALA 79 N 1.26 0.85 0.16 3.45 0.00 -0.64 -0.72 119.26 123.62 1ppv h ALA 79 Ca 0.10 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ppv h ALA 79 Cb 0.59 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ppv h ALA 79 CO 0.04 0.48 -0.24 0.28 0.00 0.00 0.00 179.25 179.81 1ppv h VAL 80 N 0.93 0.48 -0.28 0.00 2.07 -0.86 -0.61 116.25 117.98 1ppv h VAL 80 Ca 0.22 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.78 1ppv h VAL 80 Cb 0.23 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1ppv h VAL 80 CO -0.02 0.00 -0.00 0.40 0.02 0.00 0.00 177.57 177.97 1ppv h ILE 81 N -0.46 0.80 -0.33 4.57 2.04 -1.14 0.23 117.51 123.21 1ppv h ILE 81 Ca 0.02 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1ppv h ILE 81 Cb 0.46 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1ppv h ILE 81 CO -0.11 0.01 0.17 -0.09 0.00 0.00 0.00 178.15 178.14 1ppv h ARG 82 N 0.08 0.34 -0.02 2.37 2.43 -1.01 -1.50 114.38 117.07 1ppv h ARG 82 Ca 0.13 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 1ppv h ARG 82 Cb 0.17 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1ppv h ARG 82 CO -0.22 0.23 -0.64 0.00 -1.51 0.00 0.00 179.97 177.82 1ppv h ARG 83 N 0.35 0.07 -0.87 0.20 2.47 -0.67 0.70 114.38 116.62 1ppv h ARG 83 Ca 0.14 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1ppv h ARG 83 Cb 0.04 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.33 1ppv h ARG 83 CO -0.09 0.68 0.49 0.00 0.56 0.00 0.00 179.97 181.61 1ppv h ARG 85 N 1.22 0.74 -0.08 0.00 3.08 -0.78 -1.44 114.38 117.12 1ppv h ARG 85 Ca 0.31 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1ppv h ARG 85 Cb 0.01 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ppv h ARG 85 CO -0.05 0.86 -0.30 -0.92 -1.07 0.00 0.00 179.97 178.49 1ppv h TYR 86 N 0.55 0.46 0.10 3.04 3.20 -0.46 -1.34 116.97 122.53 1ppv h TYR 86 Ca 0.10 -0.19 -0.26 0.00 3.14 0.00 0.00 58.73 61.52 1ppv h TYR 86 Cb 0.57 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 1ppv h TYR 86 CO 0.05 0.91 -1.17 0.93 -1.64 0.00 0.00 178.16 177.24 1ppv h GLU 87 N -0.12 0.24 0.00 1.82 5.08 -0.64 -3.41 114.58 117.55 1ppv h GLU 87 Ca -0.01 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1ppv h GLU 87 Cb 0.93 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1ppv h GLU 87 CO 0.06 1.17 0.00 1.28 -1.00 0.00 0.00 179.01 180.52 1ppv n LEU 88 N -3.53 0.10 -0.60 1.33 4.77 -0.75 -1.36 117.00 116.95 1ppv n LEU 88 Ca -0.07 -0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 55.39 1ppv n LEU 88 Cb 0.99 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.04 1ppv n LEU 88 CO 0.52 0.02 -0.07 0.61 -1.33 0.00 0.00 177.39 177.14 1ppv n GLY 89 N 0.68 0.93 3.54 -0.72 0.00 -0.50 -0.42 105.19 108.71 1ppv n GLY 89 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1ppv n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppv s VAL 90 N -2.11 3.44 0.35 1.61 0.11 -0.85 -4.36 120.40 118.59 1ppv s VAL 90 Ca 0.00 -0.62 -0.24 0.00 -2.93 0.00 0.00 61.98 58.20 1ppv s VAL 90 Cb 0.00 -2.40 -0.10 0.00 -1.53 0.00 0.00 36.38 32.35 1ppv s VAL 90 CO 0.00 0.57 0.92 -1.61 -3.33 0.00 0.00 175.10 171.65 1ppv s GLU 91 N -0.86 4.43 0.19 1.54 0.41 -1.26 -3.72 118.70 119.43 1ppv s GLU 91 Ca 0.13 1.20 0.01 0.00 -0.41 0.00 0.00 54.97 55.90 1ppv s GLU 91 Cb -0.11 -2.60 -0.05 0.00 -1.78 0.00 0.00 34.13 29.59 1ppv s GLU 91 CO 0.02 0.19 0.04 0.96 -0.49 0.00 0.00 175.26 175.97 1ppv s ILE 92 N -1.80 0.58 0.69 -1.63 -4.36 -1.26 -0.50 121.20 112.92 1ppv s ILE 92 Ca 0.53 -1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 58.84 1ppv s ILE 92 Cb -0.15 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.30 1ppv s ILE 92 CO 0.20 -0.33 1.07 0.42 0.24 0.00 0.00 174.94 176.55 1ppv s THR 93 N -3.73 3.45 -0.08 8.37 -4.23 -0.13 -4.83 115.64 114.46 1ppv s THR 93 Ca 0.28 0.39 -0.35 0.00 -1.18 0.00 0.00 61.69 60.84 1ppv s THR 93 Cb 0.07 -3.45 -0.12 0.00 1.34 0.00 0.00 72.50 70.33 1ppv s THR 93 CO 0.07 -0.58 1.84 -2.65 -0.54 0.00 0.00 174.62 172.76 1ppv n PRO 94 N -2.96 2.08 -1.80 3.99 -0.02 -1.26 -4.54 135.00 130.49 1ppv n PRO 94 Ca 0.07 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 1ppv n PRO 94 Cb 0.57 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1ppv n PRO 94 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ppv s PRO 95 N 3.74 4.15 -0.07 0.52 0.02 -1.26 -4.84 135.00 137.26 1ppv s PRO 95 Ca 0.92 2.53 -0.16 0.00 0.02 0.00 0.00 61.00 64.31 1ppv s PRO 95 Cb -0.73 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 30.66 1ppv s PRO 95 CO 0.52 -0.68 0.40 -2.00 -0.33 0.00 0.00 177.00 174.91 1ppv s GLU 96 N 0.80 4.11 -0.11 5.54 2.12 -0.18 -4.90 118.70 126.08 1ppv s GLU 96 Ca 0.71 0.35 -0.29 0.00 0.36 0.00 0.00 54.97 56.10 1ppv s GLU 96 Cb -0.48 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 1ppv s GLU 96 CO 0.35 0.43 1.34 0.45 -0.54 0.00 0.00 175.26 177.29 1ppv s SER 97 N -0.22 6.90 -0.00 -1.70 0.15 -1.26 -1.47 113.70 116.09 1ppv s SER 97 Ca 0.23 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.73 1ppv s SER 97 Cb -0.15 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1ppv s SER 97 CO 0.10 -0.77 0.01 2.30 1.20 0.00 0.00 173.24 176.08 1ppv n ILE 98 N 5.23 0.00 -2.90 6.45 -5.35 -0.18 -4.89 119.36 117.72 1ppv n ILE 98 Ca 0.14 -0.36 -0.10 0.00 -0.27 0.00 0.00 62.75 62.16 1ppv n ILE 98 Cb 0.44 0.87 -0.01 0.00 -1.74 0.00 0.00 39.64 39.20 1ppv n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ppv n TYR 99 N -1.14 -3.06 0.34 4.28 4.19 -1.16 -3.94 117.16 116.68 1ppv n TYR 99 Ca 0.00 -1.89 0.13 0.00 3.31 0.00 0.00 57.90 59.45 1ppv n TYR 99 Cb 0.00 1.18 0.33 0.00 0.49 0.00 0.00 39.34 41.35 1ppv n TYR 99 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1ppv h PRO 100 N 4.91 0.00 -0.53 2.98 0.13 -1.90 -2.10 132.00 135.50 1ppv h PRO 100 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1ppv h PRO 100 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ppv h PRO 100 CO 0.15 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.52 1ppv n ASP 101 N -2.83 4.31 -4.74 1.44 5.75 -1.26 -4.37 116.55 114.85 1ppv n ASP 101 Ca 0.04 -2.47 -0.42 0.00 -0.01 0.00 0.00 54.79 51.93 1ppv n ASP 101 Cb 0.45 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 40.00 1ppv n ASP 101 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ppv s PHE 102 N -1.88 3.01 -0.13 2.11 5.36 -1.18 -4.94 117.98 120.34 1ppv s PHE 102 Ca 0.45 0.87 -0.12 0.00 -0.96 0.00 0.00 56.93 57.17 1ppv s PHE 102 Cb 0.30 -3.87 0.03 0.00 -0.34 0.00 0.00 43.02 39.13 1ppv s PHE 102 CO 0.20 -2.99 0.34 0.50 -1.46 0.00 0.00 175.22 171.82 1ppv s ARG 103 N 0.14 0.40 0.09 10.12 3.52 -1.26 -0.96 118.95 131.01 1ppv s ARG 103 Ca 0.63 0.48 -0.23 0.00 -0.13 0.00 0.00 55.73 56.49 1ppv s ARG 103 Cb -0.43 0.19 0.06 0.00 -1.56 0.00 0.00 34.95 33.21 1ppv s ARG 103 CO 0.39 -0.05 0.56 1.52 -0.81 0.00 0.00 175.30 176.91 1ppv s TYR 104 N 0.20 -0.47 -0.02 5.12 -0.85 0.01 -4.99 117.35 116.35 1ppv s TYR 104 Ca -0.00 0.43 0.01 0.00 -0.52 0.00 0.00 57.07 56.99 1ppv s TYR 104 Cb -0.03 0.43 0.01 0.00 0.38 0.00 0.00 41.96 42.75 1ppv s TYR 104 CO 0.00 -0.73 -0.03 0.50 -1.52 0.00 0.00 175.55 173.77 1ppv s ARG 105 N -2.97 0.40 -0.13 -3.49 3.52 -1.26 -1.34 118.95 113.67 1ppv s ARG 105 Ca -0.02 -0.09 -0.22 0.00 -0.13 0.00 0.00 55.73 55.27 1ppv s ARG 105 Cb -0.00 -0.44 0.05 0.00 -1.56 0.00 0.00 34.95 33.00 1ppv s ARG 105 CO -0.06 0.01 0.54 0.00 -0.81 0.00 0.00 175.30 174.98 1ppv s ALA 106 N 0.34 -1.37 -0.16 6.12 0.00 -0.33 -5.01 121.76 121.35 1ppv s ALA 106 Ca -0.03 1.28 -0.08 0.00 0.00 0.00 0.00 51.96 53.13 1ppv s ALA 106 Cb -0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1ppv s ALA 106 CO -0.01 -0.29 0.11 0.99 0.00 0.00 0.00 175.76 176.56 1ppv s THR 107 N -0.39 5.22 0.77 0.00 2.01 -1.26 -1.04 115.64 120.95 1ppv s THR 107 Ca -0.05 0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.98 1ppv s THR 107 Cb -0.03 -3.32 0.11 0.00 0.01 0.00 0.00 72.50 69.27 1ppv s THR 107 CO 0.04 0.52 1.08 1.51 -0.69 0.00 0.00 174.62 177.08 1ppv s ASP 108 N -0.20 4.29 0.65 3.53 -4.77 0.24 -4.92 116.67 115.48 1ppv s ASP 108 Ca 0.10 0.21 0.42 0.00 -3.30 0.00 0.00 52.55 49.98 1ppv s ASP 108 Cb -0.12 -0.65 2.25 0.00 -1.09 0.00 0.00 42.92 43.31 1ppv s ASP 108 CO 0.01 -1.94 2.31 -0.65 0.70 0.00 0.00 175.17 175.61 1ppv h PRO 109 N -0.84 0.00 -0.00 2.11 0.11 -1.99 -1.55 132.00 129.84 1ppv h PRO 109 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ppv h PRO 109 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ppv h PRO 109 CO 0.50 0.00 -0.59 0.43 -0.21 0.00 0.00 178.00 178.14 1ppv n SER 110 N -3.15 0.72 0.00 -2.05 7.64 -1.26 -4.96 113.62 110.56 1ppv n SER 110 Ca -0.03 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1ppv n SER 110 Cb 0.10 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1ppv n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppv n GLY 111 N 1.48 0.63 3.73 0.23 0.00 -0.58 -5.07 105.19 105.60 1ppv n GLY 111 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1ppv n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ppv s ILE 112 N -2.19 4.06 -0.10 -0.61 -1.09 -1.26 -4.18 121.20 115.83 1ppv s ILE 112 Ca 0.00 1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 60.06 1ppv s ILE 112 Cb 0.00 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1ppv s ILE 112 CO 0.00 0.23 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.25 1ppv s VAL 113 N 0.20 4.24 -0.11 2.92 1.01 0.10 -0.59 120.40 128.17 1ppv s VAL 113 Ca 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1ppv s VAL 113 Cb -0.28 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1ppv s VAL 113 CO 0.32 0.58 -0.07 -1.61 0.00 0.00 0.00 175.10 174.32 1ppv s GLU 114 N -0.62 3.18 -0.30 2.72 0.41 -0.20 -4.30 118.70 119.59 1ppv s GLU 114 Ca 0.10 -0.57 -0.03 0.00 -0.41 0.00 0.00 54.97 54.07 1ppv s GLU 114 Cb -0.12 -2.70 0.11 0.00 -1.78 0.00 0.00 34.13 29.65 1ppv s GLU 114 CO 0.02 0.44 0.19 1.21 -0.49 0.00 0.00 175.26 176.62 1ppv s ASN 115 N -0.19 2.94 -0.01 -0.19 2.47 -1.26 -1.19 114.94 117.52 1ppv s ASN 115 Ca 0.02 -1.24 -0.04 0.00 0.42 0.00 0.00 52.86 52.03 1ppv s ASN 115 Cb -0.13 -0.11 -0.00 0.00 -1.45 0.00 0.00 41.25 39.56 1ppv s ASN 115 CO 0.03 -0.41 0.08 -1.61 -3.72 0.00 0.00 177.10 171.46 1ppv s GLU 116 N 2.06 0.27 -0.34 0.43 2.02 -0.45 -1.73 118.70 120.97 1ppv s GLU 116 Ca 0.10 -0.21 -0.15 0.00 0.02 0.00 0.00 54.97 54.72 1ppv s GLU 116 Cb -0.16 0.11 -0.01 0.00 0.10 0.00 0.00 34.13 34.17 1ppv s GLU 116 CO -0.32 -0.05 0.38 0.08 0.02 0.00 0.00 175.26 175.37 1ppv s VAL 117 N -0.76 5.15 -0.43 2.63 1.01 -0.35 -0.81 120.40 126.84 1ppv s VAL 117 Ca -0.08 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1ppv s VAL 117 Cb -0.05 -3.82 0.19 0.00 0.00 0.00 0.00 36.38 32.70 1ppv s VAL 117 CO 0.00 -0.08 0.41 0.00 0.00 0.00 0.00 175.10 175.43 1ppv n PRO 119 N 2.37 1.80 -4.51 0.00 -0.04 -1.25 -4.44 135.00 128.93 1ppv n PRO 119 Ca 0.27 0.64 -0.34 0.00 -0.04 0.00 0.00 63.50 64.03 1ppv n PRO 119 Cb 0.48 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 1ppv n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ppv s VAL 120 N -1.22 3.97 0.25 0.52 1.01 -0.80 -2.20 120.40 121.94 1ppv s VAL 120 Ca 0.62 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1ppv s VAL 120 Cb -0.51 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1ppv s VAL 120 CO 0.57 0.60 -0.07 -0.36 0.00 0.00 0.00 175.10 175.85 1ppv s PHE 121 N -0.84 1.81 0.04 5.22 0.40 -0.01 -1.01 117.98 123.59 1ppv s PHE 121 Ca 0.13 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 55.77 1ppv s PHE 121 Cb -0.11 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.40 1ppv s PHE 121 CO 0.02 0.23 -0.10 0.00 0.70 0.00 0.00 175.22 176.07 1ppv s ALA 122 N -3.09 0.79 0.22 5.36 0.00 -0.54 -0.48 121.76 124.01 1ppv s ALA 122 Ca 0.28 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.35 1ppv s ALA 122 Cb 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1ppv s ALA 122 CO 0.10 0.08 0.49 0.00 0.00 0.00 0.00 175.76 176.43 1ppv s ALA 123 N -1.06 -0.56 -0.01 0.00 0.00 -0.52 -1.01 121.76 118.60 1ppv s ALA 123 Ca -0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1ppv s ALA 123 Cb -0.08 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 1ppv s ALA 123 CO 0.01 -0.82 0.20 1.03 0.00 0.00 0.00 175.76 176.18 1ppv s ARG 124 N -3.95 3.47 0.26 0.00 1.81 -1.26 -1.32 118.95 117.97 1ppv s ARG 124 Ca 0.15 -0.25 -0.19 0.00 -1.72 0.00 0.00 55.73 53.72 1ppv s ARG 124 Cb -0.01 -3.09 -0.09 0.00 -0.45 0.00 0.00 34.95 31.32 1ppv s ARG 124 CO 0.03 0.67 0.74 0.95 -0.68 0.00 0.00 175.30 177.01 1ppv s THR 125 N -1.32 4.58 -0.03 0.02 -4.23 0.01 -0.95 115.64 113.72 1ppv s THR 125 Ca 0.27 1.22 0.05 0.00 -1.18 0.00 0.00 61.69 62.05 1ppv s THR 125 Cb -0.13 -3.79 0.08 0.00 1.34 0.00 0.00 72.50 70.00 1ppv s THR 125 CO 0.18 0.09 0.94 0.35 -0.54 0.00 0.00 174.62 175.64 1ppv n THR 126 N 0.40 0.91 -4.14 3.99 -2.24 0.34 -4.44 114.28 109.11 1ppv n THR 126 Ca -0.00 -1.01 -0.11 0.00 -2.27 0.00 0.00 64.05 60.65 1ppv n THR 126 Cb 0.52 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1ppv n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ppv s SER 127 N -1.30 0.15 0.85 3.42 1.04 -1.25 -4.90 113.70 111.71 1ppv s SER 127 Ca 0.08 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.14 1ppv s SER 127 Cb 0.07 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.75 1ppv s SER 127 CO 0.01 -0.95 1.09 0.00 0.98 0.00 0.00 173.24 174.36 1ppv s ALA 128 N -4.06 1.83 0.43 5.32 0.00 -1.26 -4.73 121.76 119.29 1ppv s ALA 128 Ca 0.34 0.07 -0.22 0.00 0.00 0.00 0.00 51.96 52.15 1ppv s ALA 128 Cb 0.04 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 1ppv s ALA 128 CO 0.12 -2.12 0.98 -0.51 0.00 0.00 0.00 175.76 174.22 1ppv s LEU 129 N -6.10 3.98 -0.47 0.00 1.43 -1.26 -4.52 118.68 111.73 1ppv s LEU 129 Ca 0.62 1.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.54 1ppv s LEU 129 Cb -0.18 -4.46 0.16 0.00 0.03 0.00 0.00 46.19 41.74 1ppv s LEU 129 CO 0.57 -0.43 0.33 -1.10 0.23 0.00 0.00 176.35 175.94 1ppv s GLN 130 N -3.02 1.28 0.34 1.70 -1.52 0.44 -4.99 119.66 113.90 1ppv s GLN 130 Ca 0.62 -2.25 -0.29 0.00 -1.95 0.00 0.00 55.36 51.49 1ppv s GLN 130 Cb -0.13 -2.05 -0.11 0.00 -0.22 0.00 0.00 33.01 30.50 1ppv s GLN 130 CO 0.17 -1.29 1.54 -0.89 -0.25 0.00 0.00 175.29 174.57 1ppv n ILE 131 N 2.98 1.59 -3.37 1.08 -0.00 -1.24 -2.88 119.36 117.53 1ppv n ILE 131 Ca 0.20 -0.40 -0.43 0.00 -0.00 0.00 0.00 62.75 62.12 1ppv n ILE 131 Cb 0.41 -1.99 -0.09 0.00 -0.00 0.00 0.00 39.64 37.97 1ppv n ILE 131 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1ppv s ASN 132 N 0.14 6.16 0.13 4.38 3.84 -0.47 -4.95 114.94 124.17 1ppv s ASN 132 Ca 0.58 -0.95 0.22 0.00 0.21 0.00 0.00 52.86 52.91 1ppv s ASN 132 Cb -0.48 -2.20 0.87 0.00 -0.55 0.00 0.00 41.25 38.90 1ppv s ASN 132 CO 0.57 -0.59 1.67 -0.90 -2.79 0.00 0.00 177.10 175.07 1ppv n ASP 133 N 5.41 0.39 0.22 -4.21 5.75 -1.26 -0.82 116.55 122.03 1ppv n ASP 133 Ca -0.10 0.58 0.15 0.00 -0.01 0.00 0.00 54.79 55.41 1ppv n ASP 133 Cb 0.46 -0.67 0.69 0.00 -1.03 0.00 0.00 41.12 40.57 1ppv n ASP 133 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1ppv h ASP 134 N 0.00 0.00 0.00 -1.12 3.32 -1.96 -3.36 116.42 113.30 1ppv h ASP 134 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ppv h ASP 134 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1ppv h ASP 134 CO 0.00 0.00 -1.12 -0.62 -1.72 0.00 0.00 179.24 175.78 1ppv n GLU 135 N -2.67 2.74 -4.39 3.56 -0.58 0.00 -4.79 120.64 114.51 1ppv n GLU 135 Ca 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.50 1ppv n GLU 135 Cb 0.20 -1.04 -0.17 0.00 -0.57 0.00 0.00 31.44 29.86 1ppv n GLU 135 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1ppv s VAL 136 N -2.04 1.09 -0.49 2.62 1.01 -0.29 -1.34 120.40 120.96 1ppv s VAL 136 Ca -0.01 -0.42 0.16 0.00 0.00 0.00 0.00 61.98 61.71 1ppv s VAL 136 Cb 0.01 -1.03 -0.20 0.00 0.00 0.00 0.00 36.38 35.16 1ppv s VAL 136 CO 0.06 0.35 0.57 1.15 0.00 0.00 0.00 175.10 177.23 1ppv n MET 137 N 4.12 1.28 -3.51 2.72 0.00 0.07 -4.14 117.12 117.66 1ppv n MET 137 Ca -0.20 -0.05 -0.10 0.00 0.00 0.00 0.00 57.70 57.35 1ppv n MET 137 Cb 0.51 -1.30 -0.02 0.00 0.00 0.00 0.00 33.22 32.41 1ppv n MET 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1ppv s ASP 138 N -3.01 -0.44 0.22 3.17 -1.08 -1.23 -4.99 116.67 109.32 1ppv s ASP 138 Ca 0.02 -0.08 -0.16 0.00 -0.52 0.00 0.00 52.55 51.81 1ppv s ASP 138 Cb 0.12 0.52 0.02 0.00 -1.46 0.00 0.00 42.92 42.11 1ppv s ASP 138 CO 0.67 -0.86 0.53 -0.72 0.52 0.00 0.00 175.17 175.31 1ppv s TYR 139 N -3.49 0.01 -0.09 -5.34 -0.85 -1.26 -0.58 117.35 105.76 1ppv s TYR 139 Ca 0.04 -0.38 -0.16 0.00 -0.52 0.00 0.00 57.07 56.05 1ppv s TYR 139 Cb -0.01 0.37 0.04 0.00 0.38 0.00 0.00 41.96 42.73 1ppv s TYR 139 CO -0.09 -0.98 0.39 -1.14 -1.52 0.00 0.00 175.55 172.21 1ppv s GLN 140 N -3.92 0.60 -0.20 -3.49 2.00 -0.51 -5.00 119.66 109.14 1ppv s GLN 140 Ca 0.13 0.25 -0.17 0.00 -2.00 0.00 0.00 55.36 53.57 1ppv s GLN 140 Cb -0.02 0.28 -0.04 0.00 0.80 0.00 0.00 33.01 34.04 1ppv s GLN 140 CO 0.02 -0.13 0.45 -1.58 -0.50 0.00 0.00 175.29 173.56 1ppv s TRP 141 N -0.49 3.38 0.11 1.67 0.52 -1.26 -0.89 118.94 121.96 1ppv s TRP 141 Ca -0.06 0.69 0.03 0.00 0.02 0.00 0.00 56.10 56.78 1ppv s TRP 141 Cb -0.04 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 1ppv s TRP 141 CO 0.03 -0.04 -0.08 0.00 0.02 0.00 0.00 176.95 176.87 1ppv s ASP 143 N -2.85 7.11 0.28 0.00 1.11 -1.26 0.06 116.67 121.11 1ppv s ASP 143 Ca 0.10 1.85 0.00 0.00 0.18 0.00 0.00 52.55 54.69 1ppv s ASP 143 Cb 0.02 -2.57 0.52 0.00 1.07 0.00 0.00 42.92 41.96 1ppv s ASP 143 CO -0.02 -0.50 1.84 0.25 1.18 0.00 0.00 175.17 177.92 1ppv h LEU 144 N 7.55 0.91 -0.74 1.23 5.85 -1.93 -1.12 115.31 127.06 1ppv h LEU 144 Ca -0.37 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.51 1ppv h LEU 144 Cb 1.19 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.99 1ppv h LEU 144 CO 0.84 0.50 0.35 0.00 -0.34 0.00 0.00 178.44 179.79 1ppv h ALA 145 N 1.52 1.05 -0.40 1.25 0.00 -1.98 -0.08 119.26 120.61 1ppv h ALA 145 Ca 0.48 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.40 1ppv h ALA 145 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ppv h ALA 145 CO -0.25 -0.10 -0.00 -0.44 0.00 0.00 0.00 179.25 178.45 1ppv h ASP 146 N 0.56 0.70 -0.72 0.00 3.32 -1.63 -1.13 116.42 117.52 1ppv h ASP 146 Ca 0.38 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1ppv h ASP 146 Cb 0.48 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1ppv h ASP 146 CO -0.32 0.84 0.48 0.58 -1.72 0.00 0.00 179.24 179.09 1ppv h VAL 147 N 0.54 1.18 -0.49 -1.35 2.07 -0.75 -0.84 116.25 116.60 1ppv h VAL 147 Ca 0.11 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1ppv h VAL 147 Cb 0.48 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1ppv h VAL 147 CO 0.02 0.18 -0.03 -0.07 0.02 0.00 0.00 177.57 177.68 1ppv h LEU 148 N 0.97 0.82 -1.16 2.57 3.38 -0.90 0.05 115.31 121.04 1ppv h LEU 148 Ca 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ppv h LEU 148 Cb -0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 1ppv h LEU 148 CO -0.06 0.91 0.46 0.45 0.09 0.00 0.00 178.44 180.28 1ppv h HIS 149 N 0.78 1.00 -0.23 1.13 3.86 -0.56 -1.68 115.15 119.44 1ppv h HIS 149 Ca 0.14 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.17 1ppv h HIS 149 Cb 0.52 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1ppv h HIS 149 CO 0.03 0.67 -0.55 0.78 0.86 0.00 0.00 177.93 179.71 1ppv h GLY 150 N 1.07 0.86 1.13 2.45 0.00 -0.39 -1.10 103.07 107.09 1ppv h GLY 150 Ca 0.27 -1.06 0.01 0.00 0.00 0.00 0.00 47.33 46.56 1ppv h GLY 150 CO -0.05 0.95 0.57 -2.22 0.00 0.00 0.00 176.54 175.79 1ppv h ILE 151 N 0.53 1.21 -0.10 2.60 2.04 -0.89 0.25 117.51 123.13 1ppv h ILE 151 Ca -0.00 -0.40 -0.17 0.00 1.00 0.00 0.00 64.86 65.29 1ppv h ILE 151 Cb 1.17 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1ppv h ILE 151 CO 0.12 0.21 -0.67 -0.78 0.00 0.00 0.00 178.15 177.03 1ppv h ASP 152 N 1.15 0.50 0.00 1.72 3.58 -1.07 -2.79 116.42 119.52 1ppv h ASP 152 Ca 0.32 -0.31 -0.06 0.00 0.42 0.00 0.00 57.03 57.40 1ppv h ASP 152 Cb -0.11 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 40.80 1ppv h ASP 152 CO -0.08 1.03 -0.26 0.00 -2.88 0.00 0.00 179.24 177.06 1ppv h ALA 153 N 0.96 0.02 -2.05 -0.78 0.00 -0.74 -3.42 119.26 113.27 1ppv h ALA 153 Ca -0.02 -0.48 -0.57 0.00 0.00 0.00 0.00 54.91 53.84 1ppv h ALA 153 Cb 1.23 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.64 1ppv h ALA 153 CO 0.12 0.09 -0.98 0.25 0.00 0.00 0.00 179.25 178.73 1ppv n THR 154 N -4.50 0.09 0.26 0.00 -2.24 0.82 -4.95 114.28 103.76 1ppv n THR 154 Ca -0.10 -4.33 0.12 0.00 -2.27 0.00 0.00 64.05 57.47 1ppv n THR 154 Cb 0.51 -1.98 0.70 0.00 -2.10 0.00 0.00 70.33 67.47 1ppv n THR 154 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ppv h PRO 155 N 4.03 0.00 0.00 -0.78 0.13 -1.65 -2.05 132.00 131.68 1ppv h PRO 155 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ppv h PRO 155 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ppv h PRO 155 CO 0.56 0.12 0.00 -2.67 -0.23 0.00 0.00 178.00 175.78 1ppv n TRP 156 N -3.75 0.00 1.28 1.56 4.27 -1.26 -2.22 117.44 117.31 1ppv n TRP 156 Ca -0.02 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.72 1ppv n TRP 156 Cb 0.23 -0.40 0.34 0.00 -1.36 0.00 0.00 31.31 30.11 1ppv n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ppv n ALA 157 N -1.40 2.72 -2.45 -1.67 0.00 -0.77 -4.92 120.51 112.02 1ppv n ALA 157 Ca 0.04 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 1ppv n ALA 157 Cb 0.13 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 1ppv n ALA 157 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ppv s PHE 158 N -2.13 1.99 0.35 0.00 0.08 -0.94 -4.46 117.98 112.86 1ppv s PHE 158 Ca 0.31 -0.81 -0.28 0.00 0.12 0.00 0.00 56.93 56.27 1ppv s PHE 158 Cb 0.20 -1.23 -0.11 0.00 -0.57 0.00 0.00 43.02 41.31 1ppv s PHE 158 CO 0.38 0.17 1.42 -1.54 -0.10 0.00 0.00 175.22 175.55 1ppv s SER 159 N -3.48 6.53 0.44 1.36 1.04 -0.12 -4.88 113.70 114.59 1ppv s SER 159 Ca 0.33 2.88 0.11 0.00 0.48 0.00 0.00 55.95 59.75 1ppv s SER 159 Cb 0.06 -2.66 0.96 0.00 0.10 0.00 0.00 66.02 64.49 1ppv s SER 159 CO 0.14 -0.73 2.02 -0.65 0.98 0.00 0.00 173.24 175.00 1ppv h PRO 160 N 3.33 0.21 -0.17 4.02 0.11 -1.92 -2.22 132.00 135.36 1ppv h PRO 160 Ca -0.50 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 1ppv h PRO 160 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1ppv h PRO 160 CO 0.66 0.24 -0.56 0.11 -0.21 0.00 0.00 178.00 178.25 1ppv h TRP 161 N 0.21 0.64 -0.68 0.65 0.09 -1.99 -0.57 115.95 114.30 1ppv h TRP 161 Ca 0.05 -0.23 0.03 0.00 0.09 0.00 0.00 58.89 58.83 1ppv h TRP 161 Cb 0.16 -0.12 -0.04 0.00 0.08 0.00 0.00 29.16 29.24 1ppv h TRP 161 CO 0.00 0.95 0.42 1.98 0.09 0.00 0.00 178.44 181.88 1ppv h MET 162 N 0.39 0.81 -0.28 0.12 4.05 -1.79 -1.23 114.93 117.00 1ppv h MET 162 Ca 0.01 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 1ppv h MET 162 Cb 1.09 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.70 1ppv h MET 162 CO 0.10 0.54 0.02 0.28 0.23 0.00 0.00 176.91 178.08 1ppv h VAL 163 N 0.83 1.24 -0.78 -5.77 2.07 -1.29 -0.84 116.25 111.72 1ppv h VAL 163 Ca 0.27 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1ppv h VAL 163 Cb 0.01 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1ppv h VAL 163 CO -0.10 0.27 0.41 0.24 0.02 0.00 0.00 177.57 178.41 1ppv h MET 164 N 0.27 1.09 -0.28 1.57 2.86 -0.80 -1.89 114.93 117.76 1ppv h MET 164 Ca 0.08 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1ppv h MET 164 Cb 0.38 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1ppv h MET 164 CO 0.01 0.81 -0.22 1.96 1.06 0.00 0.00 176.91 180.53 1ppv h GLN 165 N 1.10 0.63 0.00 1.72 4.20 -1.12 -3.10 115.11 118.54 1ppv h GLN 165 Ca 0.27 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1ppv h GLN 165 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1ppv h GLN 165 CO -0.04 0.91 -0.13 0.00 -0.67 0.00 0.00 178.83 178.89 1ppv h ALA 166 N 0.71 1.37 -0.33 3.87 0.00 -0.92 -2.41 119.26 121.54 1ppv h ALA 166 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ppv h ALA 166 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ppv h ALA 166 CO 0.06 0.17 0.00 0.25 0.00 0.00 0.00 179.25 179.72 1ppv n THR 167 N -3.78 0.42 -2.47 0.00 -2.24 -0.73 -4.53 114.28 100.94 1ppv n THR 167 Ca -0.02 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 1ppv n THR 167 Cb 0.24 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1ppv n THR 167 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ppv s ASN 168 N -1.53 7.08 0.26 3.42 3.84 -0.91 -4.92 114.94 122.17 1ppv s ASN 168 Ca 0.37 1.82 -0.04 0.00 0.21 0.00 0.00 52.86 55.22 1ppv s ASN 168 Cb 0.22 -2.56 0.33 0.00 -0.55 0.00 0.00 41.25 38.69 1ppv s ASN 168 CO 0.31 -0.55 1.91 -0.09 -2.79 0.00 0.00 177.10 175.89 1ppv h ARG 169 N 7.32 1.24 -0.09 0.43 2.43 -1.88 -0.33 114.38 123.50 1ppv h ARG 169 Ca -0.35 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 58.61 1ppv h ARG 169 Cb 1.17 -0.28 0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1ppv h ARG 169 CO 0.86 0.82 -0.44 0.93 -1.51 0.00 0.00 179.97 180.63 1ppv h GLU 170 N 1.28 0.47 -0.66 0.20 3.07 -1.92 -2.16 114.58 114.86 1ppv h GLU 170 Ca 0.39 -0.38 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 1ppv h GLU 170 Cb -0.03 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 1ppv h GLU 170 CO -0.12 1.01 0.13 0.00 -1.40 0.00 0.00 179.01 178.64 1ppv h ALA 171 N 0.46 0.99 -0.45 3.43 0.00 -1.60 -2.61 119.26 119.48 1ppv h ALA 171 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1ppv h ALA 171 Cb 1.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ppv h ALA 171 CO 0.09 0.65 0.19 -0.09 0.00 0.00 0.00 179.25 180.09 1ppv h ARG 172 N 1.00 0.63 -0.14 0.00 2.43 -0.89 -0.93 114.38 116.47 1ppv h ARG 172 Ca 0.20 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 1ppv h ARG 172 Cb 0.39 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1ppv h ARG 172 CO 0.01 0.51 -0.35 1.57 -1.51 0.00 0.00 179.97 180.20 1ppv h LYS 173 N 0.63 0.29 -0.30 0.20 2.10 -1.03 -0.63 116.57 117.82 1ppv h LYS 173 Ca 0.16 -0.12 -0.18 0.00 -2.00 0.00 0.00 60.65 58.51 1ppv h LYS 173 Cb 0.11 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1ppv h LYS 173 CO -0.02 0.60 -0.50 0.00 -2.00 0.00 0.00 179.45 177.54 1ppv h ARG 174 N 0.25 0.87 -0.48 0.07 2.47 -1.01 -1.65 114.38 114.90 1ppv h ARG 174 Ca 0.03 -0.54 0.06 0.00 -1.26 0.00 0.00 59.98 58.28 1ppv h ARG 174 Cb 0.73 0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 29.06 1ppv h ARG 174 CO 0.06 1.17 0.18 -0.07 0.56 0.00 0.00 179.97 181.87 1ppv h LEU 175 N 0.66 0.19 -1.54 3.04 3.38 -0.77 -1.34 115.31 118.93 1ppv h LEU 175 Ca 0.02 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ppv h LEU 175 Cb 1.11 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1ppv h LEU 175 CO 0.11 0.14 0.26 0.28 0.09 0.00 0.00 178.44 179.32 1ppv h SER 176 N 0.36 0.49 0.37 -0.43 0.02 -1.00 -0.56 113.55 112.80 1ppv h SER 176 Ca 0.23 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1ppv h SER 176 Cb 0.23 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1ppv h SER 176 CO -0.23 0.38 -0.23 0.00 -1.14 0.00 0.00 176.83 175.61 1ppv h ALA 177 N 1.71 1.39 -0.01 3.77 0.00 -0.26 -2.19 119.26 123.68 1ppv h ALA 177 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ppv h ALA 177 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ppv h ALA 177 CO -0.03 0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.70 1ppv n PHE 178 N -3.94 0.01 1.37 0.00 3.01 -0.22 -3.19 117.46 114.49 1ppv n PHE 178 Ca -0.02 -0.01 0.14 0.00 1.01 0.00 0.00 57.45 58.57 1ppv n PHE 178 Cb 0.31 0.00 0.50 0.00 -0.01 0.00 0.00 39.48 40.29 1ppv n PHE 178 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ppv n THR 179 N -0.71 0.00 -1.97 4.37 -2.24 -0.82 -4.49 114.28 108.41 1ppv n THR 179 Ca 0.21 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.47 1ppv n THR 179 Cb 0.15 0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1ppv n THR 179 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ppv s GLN 180 N -2.39 3.94 0.10 -0.78 0.74 -1.19 -4.29 119.66 115.79 1ppv s GLN 180 Ca 0.29 2.26 -0.30 0.00 0.05 0.00 0.00 55.36 57.66 1ppv s GLN 180 Cb 0.20 -2.78 -0.06 0.00 1.10 0.00 0.00 33.01 31.47 1ppv s GLN 180 CO 0.47 -0.55 1.18 -1.17 -0.55 0.00 0.00 175.29 174.66 1ppv s LEU 181 N -2.42 4.41 -0.06 3.68 0.20 -1.26 -4.14 118.68 119.08 1ppv s LEU 181 Ca 0.57 2.06 -0.01 0.00 0.69 0.00 0.00 54.13 57.44 1ppv s LEU 181 Cb -0.40 -3.59 0.03 0.00 -0.43 0.00 0.00 46.19 41.80 1ppv s LEU 181 CO 0.52 -0.40 0.01 -0.54 -0.29 0.00 0.00 176.35 175.65 1ppv s LYS 182 N 0.55 0.43 0.00 1.98 -0.14 0.28 -5.02 119.74 117.83 1ppv s LYS 182 Ca 0.56 0.16 0.23 0.00 -1.36 0.00 0.00 55.97 55.56 1ppv s LYS 182 Cb -0.30 -0.82 1.38 0.00 -1.68 0.00 0.00 37.83 36.41 1ppv s LYS 182 CO 0.32 -0.29 1.75 1.28 -0.76 0.00 0.00 175.35 177.65