#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8m n THR 7 N 0.00 0.00 0.73 0.55 -2.24 -1.26 -4.87 114.28 107.19 1a8m n THR 7 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a8m n THR 7 Cb 0.00 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1a8m n THR 7 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1a8m n PRO 8 N -2.38 0.82 0.00 -0.78 -0.04 -1.26 -4.98 135.00 126.38 1a8m n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1a8m n PRO 8 Cb 0.26 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1a8m n PRO 8 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1a8m n SER 9 N 0.67 -1.30 -0.01 3.54 3.41 -1.26 -4.55 113.62 114.11 1a8m n SER 9 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1a8m n SER 9 Cb 0.41 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1a8m n SER 9 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1a8m n ASP 10 N -3.60 3.50 -4.68 4.04 2.03 -1.26 -4.90 116.55 111.68 1a8m n ASP 10 Ca 0.00 0.00 -0.46 0.00 0.52 0.00 0.00 54.79 54.85 1a8m n ASP 10 Cb 0.00 1.03 -0.04 0.00 -0.72 0.00 0.00 41.12 41.39 1a8m n ASP 10 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1a8m n LYS 11 N -1.94 2.32 -1.66 -0.67 2.85 -1.26 -4.74 118.16 113.06 1a8m n LYS 11 Ca -0.05 0.85 -0.43 0.00 -1.05 0.00 0.00 58.31 57.62 1a8m n LYS 11 Cb 0.39 -2.69 -0.03 0.00 -0.65 0.00 0.00 35.03 32.05 1a8m n LYS 11 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1a8m n PRO 12 N 5.66 2.69 -4.43 -1.58 -0.04 -1.25 -4.72 135.00 131.33 1a8m n PRO 12 Ca 0.20 0.98 -0.21 0.00 -0.04 0.00 0.00 63.50 64.43 1a8m n PRO 12 Cb 0.31 -2.96 -0.10 0.00 -0.04 0.00 0.00 33.50 30.71 1a8m n PRO 12 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a8m s VAL 13 N 4.66 1.08 0.00 0.52 0.11 -0.88 -1.83 120.40 124.05 1a8m s VAL 13 Ca 0.91 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.96 1a8m s VAL 13 Cb -0.48 -2.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 1a8m s VAL 13 CO 0.43 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.20 1a8m n ALA 14 N -0.66 0.00 -3.61 1.54 0.00 -0.84 -2.15 120.51 114.78 1a8m n ALA 14 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 1a8m n ALA 14 Cb 0.66 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 1a8m n ALA 14 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1a8m s HIS 15 N 0.00 1.13 0.10 0.00 2.46 0.10 -1.69 115.29 117.39 1a8m s HIS 15 Ca 0.00 -1.58 -0.09 0.00 0.47 0.00 0.00 55.06 53.86 1a8m s HIS 15 Cb 0.00 -1.32 -0.06 0.00 -0.13 0.00 0.00 32.58 31.07 1a8m s HIS 15 CO 0.00 -0.84 0.40 0.14 -2.47 0.00 0.00 174.74 171.97 1a8m s VAL 16 N 1.41 5.11 0.02 0.89 -7.23 0.11 -2.13 120.40 118.59 1a8m s VAL 16 Ca 0.13 0.35 0.09 0.00 -1.81 0.00 0.00 61.98 60.73 1a8m s VAL 16 Cb -0.19 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.08 1a8m s VAL 16 CO -0.18 0.21 -0.25 0.54 -0.31 0.00 0.00 175.10 175.11 1a8m s VAL 17 N -1.48 2.21 0.52 1.32 0.11 -1.16 0.33 120.40 122.26 1a8m s VAL 17 Ca 0.35 -1.28 -0.22 0.00 -2.93 0.00 0.00 61.98 57.91 1a8m s VAL 17 Cb -0.13 -1.84 -0.06 0.00 -1.53 0.00 0.00 36.38 32.82 1a8m s VAL 17 CO 0.20 0.43 1.27 0.00 -3.33 0.00 0.00 175.10 173.66 1a8m s ALA 18 N -0.76 2.85 -0.23 1.54 0.00 -1.16 -0.38 121.76 123.63 1a8m s ALA 18 Ca 0.12 1.15 -0.27 0.00 0.00 0.00 0.00 51.96 52.95 1a8m s ALA 18 Cb -0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1a8m s ALA 18 CO 0.01 -1.08 0.95 1.21 0.00 0.00 0.00 175.76 176.85 1a8m s ASN 19 N -1.17 6.99 0.51 0.00 3.84 0.11 -4.79 114.94 120.44 1a8m s ASN 19 Ca 0.69 1.24 0.30 0.00 0.21 0.00 0.00 52.86 55.30 1a8m s ASN 19 Cb -0.35 -2.50 1.10 0.00 -0.55 0.00 0.00 41.25 38.95 1a8m s ASN 19 CO 0.41 -0.59 1.89 1.55 -2.79 0.00 0.00 177.10 177.57 1a8m h PRO 20 N 7.52 0.00 0.24 0.43 0.13 -1.89 -3.27 132.00 135.15 1a8m h PRO 20 Ca -0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1a8m h PRO 20 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1a8m h PRO 20 CO 0.93 0.04 -0.12 1.96 -0.23 0.00 0.00 178.00 180.58 1a8m h GLN 21 N 0.00 -0.31 -6.70 0.86 4.20 -1.96 -3.46 115.11 107.74 1a8m h GLN 21 Ca -0.00 0.02 -0.57 0.00 0.06 0.00 0.00 58.65 58.16 1a8m h GLN 21 Cb 0.65 0.07 0.17 0.00 0.30 0.00 0.00 27.48 28.67 1a8m h GLN 21 CO 0.01 -0.01 -0.13 0.00 -0.67 0.00 0.00 178.83 178.03 1a8m n ALA 22 N -2.65 -0.53 -2.82 3.87 0.00 -1.23 -5.01 120.51 112.14 1a8m n ALA 22 Ca -0.07 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1a8m n ALA 22 Cb 0.23 -1.98 -0.12 0.00 0.00 0.00 0.00 19.45 17.58 1a8m n ALA 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a8m s GLU 23 N -2.55 0.56 -1.79 0.00 -6.30 -1.26 -4.77 118.70 102.59 1a8m s GLU 23 Ca 0.72 -0.69 0.00 0.00 -2.50 0.00 0.00 54.97 52.51 1a8m s GLU 23 Cb -0.41 -0.40 0.00 0.00 0.00 0.00 0.00 34.13 33.32 1a8m s GLU 23 CO 0.51 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.28 1a8m n GLY 24 N 1.70 0.46 3.63 -1.50 0.00 -1.22 -4.91 105.19 103.36 1a8m n GLY 24 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1a8m n GLY 24 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a8m s GLN 25 N -4.45 0.76 -0.54 1.61 -2.07 -1.26 -4.74 119.66 108.97 1a8m s GLN 25 Ca 0.00 0.92 -0.17 0.00 -1.82 0.00 0.00 55.36 54.29 1a8m s GLN 25 Cb 0.00 0.36 0.11 0.00 -1.09 0.00 0.00 33.01 32.39 1a8m s GLN 25 CO 0.00 -0.09 0.55 -1.17 -1.32 0.00 0.00 175.29 173.26 1a8m s LEU 26 N 0.43 5.82 -0.19 2.60 2.96 -1.26 -4.88 118.68 124.15 1a8m s LEU 26 Ca 0.00 -1.58 -0.02 0.00 -0.22 0.00 0.00 54.13 52.31 1a8m s LEU 26 Cb -0.05 -2.25 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 1a8m s LEU 26 CO -0.02 -0.91 -0.09 -1.10 -1.32 0.00 0.00 176.35 172.91 1a8m s GLN 27 N 1.98 3.33 -0.16 1.98 -0.21 -1.26 -4.99 119.66 120.33 1a8m s GLN 27 Ca 0.06 -0.67 -0.29 0.00 0.02 0.00 0.00 55.36 54.48 1a8m s GLN 27 Cb -0.27 -2.84 -0.01 0.00 1.00 0.00 0.00 33.01 30.88 1a8m s GLN 27 CO 0.05 -0.09 1.22 -1.58 -2.12 0.00 0.00 175.29 172.77 1a8m s TRP 28 N 1.14 2.98 -0.26 0.91 0.23 -1.26 0.09 118.94 122.76 1a8m s TRP 28 Ca 0.01 1.11 0.02 0.00 -2.03 0.00 0.00 56.10 55.22 1a8m s TRP 28 Cb -0.14 -3.45 0.06 0.00 0.03 0.00 0.00 33.47 29.96 1a8m s TRP 28 CO -0.02 -1.44 -0.10 -0.51 0.96 0.00 0.00 176.95 175.83 1a8m s LEU 29 N 3.24 3.39 -0.40 2.99 1.02 0.49 -4.92 118.68 124.50 1a8m s LEU 29 Ca 0.53 -1.32 -0.09 0.00 0.02 0.00 0.00 54.13 53.27 1a8m s LEU 29 Cb -0.21 -1.56 0.06 0.00 0.02 0.00 0.00 46.19 44.50 1a8m s LEU 29 CO 0.15 -0.18 0.23 0.21 0.02 0.00 0.00 176.35 176.77 1a8m s ASN 30 N 1.13 5.62 0.00 2.29 2.47 -1.26 -2.97 114.94 122.22 1a8m s ASN 30 Ca -0.07 -1.34 0.00 0.00 0.42 0.00 0.00 52.86 51.86 1a8m s ASN 30 Cb -0.19 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 1a8m s ASN 30 CO -0.05 -0.48 0.00 -0.67 -3.72 0.00 0.00 177.10 172.18 1a8m n ASP 31 N 4.92 0.00 -4.56 -4.21 2.03 -1.26 -5.03 116.55 108.43 1a8m n ASP 31 Ca -0.11 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.93 1a8m n ASP 31 Cb 0.44 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.74 1a8m n ASP 31 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1a8m s ARG 32 N 0.00 1.95 0.67 -0.67 1.81 -1.26 -5.12 118.95 116.33 1a8m s ARG 32 Ca 0.00 -2.16 -0.15 0.00 -1.72 0.00 0.00 55.73 51.71 1a8m s ARG 32 Cb 0.00 -1.33 0.00 0.00 -0.45 0.00 0.00 34.95 33.18 1a8m s ARG 32 CO 0.00 -0.21 1.11 0.00 -0.68 0.00 0.00 175.30 175.52 1a8m s ALA 33 N -2.94 2.45 -1.23 2.13 0.00 -1.26 -3.59 121.76 117.31 1a8m s ALA 33 Ca 0.26 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 1a8m s ALA 33 Cb 0.07 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1a8m s ALA 33 CO 0.13 -1.32 0.80 0.09 0.00 0.00 0.00 175.76 175.46 1a8m n ASN 34 N -2.48 -2.45 -3.78 0.00 3.02 -1.26 -5.02 115.26 103.29 1a8m n ASN 34 Ca 0.10 -0.78 -0.13 0.00 -0.03 0.00 0.00 54.58 53.75 1a8m n ASN 34 Cb 0.52 -4.38 -0.11 0.00 -0.61 0.00 0.00 39.78 35.19 1a8m n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a8m s ALA 35 N -3.55 -0.67 0.14 5.41 0.00 -1.24 -4.94 121.76 116.92 1a8m s ALA 35 Ca 0.10 0.74 0.07 0.00 0.00 0.00 0.00 51.96 52.87 1a8m s ALA 35 Cb -0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1a8m s ALA 35 CO 0.79 -0.13 -0.16 -0.51 0.00 0.00 0.00 175.76 175.75 1a8m s LEU 36 N 0.07 2.42 -0.43 0.00 1.02 -0.91 -4.82 118.68 116.03 1a8m s LEU 36 Ca -0.01 -0.84 0.03 0.00 0.02 0.00 0.00 54.13 53.33 1a8m s LEU 36 Cb -0.02 -0.66 0.25 0.00 0.02 0.00 0.00 46.19 45.79 1a8m s LEU 36 CO 0.01 -0.11 1.01 -0.11 0.02 0.00 0.00 176.35 177.17 1a8m n LEU 37 N 0.41 -2.33 -4.72 1.79 -0.00 -1.26 -0.72 117.00 110.16 1a8m n LEU 37 Ca -0.14 -2.76 -0.22 0.00 -0.00 0.00 0.00 56.01 52.88 1a8m n LEU 37 Cb 0.57 0.74 -0.06 0.00 -0.00 0.00 0.00 43.42 44.67 1a8m n LEU 37 CO 0.28 1.85 -0.26 0.00 -0.00 0.00 0.00 177.39 179.26 1a8m s ALA 38 N 0.49 3.35 -1.22 1.96 0.00 -0.91 -4.85 121.76 120.57 1a8m s ALA 38 Ca 0.30 -1.55 -0.34 0.00 0.00 0.00 0.00 51.96 50.37 1a8m s ALA 38 Cb 0.22 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.38 1a8m s ALA 38 CO -0.19 0.26 0.67 0.09 0.00 0.00 0.00 175.76 176.59 1a8m n ASN 39 N -1.02 -4.04 0.00 0.00 3.02 -1.26 -2.08 115.26 109.88 1a8m n ASN 39 Ca -0.07 -1.30 0.00 0.00 -0.03 0.00 0.00 54.58 53.18 1a8m n ASN 39 Cb 0.58 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 1a8m n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a8m n GLY 40 N -2.11 2.68 3.51 7.41 0.00 -1.26 -3.92 105.19 111.51 1a8m n GLY 40 Ca -0.11 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1a8m n GLY 40 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a8m n VAL 41 N 0.00 1.98 -4.12 1.61 0.31 -1.22 -4.58 118.33 112.31 1a8m n VAL 41 Ca 0.00 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 63.75 1a8m n VAL 41 Cb 0.00 -0.71 -0.10 0.00 -0.91 0.00 0.00 33.84 32.12 1a8m n VAL 41 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1a8m s GLU 42 N -1.59 0.74 -0.39 5.55 2.02 -1.24 -4.64 118.70 119.16 1a8m s GLU 42 Ca 0.62 -1.30 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 1a8m s GLU 42 Cb -0.66 0.18 0.09 0.00 0.10 0.00 0.00 34.13 33.85 1a8m s GLU 42 CO 0.58 -0.15 0.16 -1.17 0.02 0.00 0.00 175.26 174.70 1a8m s LEU 43 N -2.98 4.96 0.00 1.80 1.98 -1.26 -2.47 118.68 120.71 1a8m s LEU 43 Ca 0.13 -1.84 0.00 0.00 -2.89 0.00 0.00 54.13 49.53 1a8m s LEU 43 Cb 0.08 -1.81 0.00 0.00 0.66 0.00 0.00 46.19 45.11 1a8m s LEU 43 CO -0.06 -0.48 0.00 -1.14 -1.89 0.00 0.00 176.35 172.78 1a8m n ARG 44 N 4.62 0.00 -1.35 1.98 3.00 -0.91 -4.79 116.66 119.21 1a8m n ARG 44 Ca -0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.57 1a8m n ARG 44 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.79 1a8m n ARG 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1a8m n ASP 45 N 0.00 6.20 -0.97 6.15 8.00 -1.26 -4.49 116.55 130.18 1a8m n ASP 45 Ca 0.00 -2.94 -0.12 0.00 0.71 0.00 0.00 54.79 52.44 1a8m n ASP 45 Cb 0.00 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.12 39.74 1a8m n ASP 45 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a8m n ASN 46 N 1.53 -4.39 -4.13 -2.24 5.15 -1.26 -4.99 115.26 104.94 1a8m n ASN 46 Ca 0.48 0.27 -0.24 0.00 -0.60 0.00 0.00 54.58 54.49 1a8m n ASN 46 Cb 0.65 -3.01 -0.16 0.00 -0.53 0.00 0.00 39.78 36.73 1a8m n ASN 46 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1a8m s GLN 47 N -3.17 1.46 0.06 1.20 -0.21 -1.26 -4.78 119.66 112.96 1a8m s GLN 47 Ca 0.00 -0.56 -0.27 0.00 0.02 0.00 0.00 55.36 54.55 1a8m s GLN 47 Cb 0.00 -1.35 -0.05 0.00 1.00 0.00 0.00 33.01 32.61 1a8m s GLN 47 CO 0.00 0.28 0.85 -0.51 -2.12 0.00 0.00 175.29 173.80 1a8m s LEU 48 N -0.15 4.46 -0.17 2.90 1.43 -0.70 -2.13 118.68 124.31 1a8m s LEU 48 Ca 0.01 1.58 -0.05 0.00 -1.03 0.00 0.00 54.13 54.64 1a8m s LEU 48 Cb -0.09 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 1a8m s LEU 48 CO 0.01 -0.04 0.01 -0.69 0.23 0.00 0.00 176.35 175.86 1a8m s VAL 49 N 0.08 4.27 -0.34 -1.59 1.01 -1.03 -0.56 120.40 122.23 1a8m s VAL 49 Ca 0.43 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1a8m s VAL 49 Cb -0.21 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1a8m s VAL 49 CO 0.26 0.48 0.76 -0.69 0.00 0.00 0.00 175.10 175.90 1a8m s VAL 50 N 0.39 4.78 0.10 2.92 1.01 0.13 -3.68 120.40 126.04 1a8m s VAL 50 Ca -0.01 0.93 -0.34 0.00 0.00 0.00 0.00 61.98 62.57 1a8m s VAL 50 Cb -0.13 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 31.95 1a8m s VAL 50 CO 0.02 -0.35 1.57 1.55 0.00 0.00 0.00 175.10 177.90 1a8m h PRO 51 N 8.35 -0.78 -5.33 2.72 0.13 -1.86 -0.39 132.00 134.85 1a8m h PRO 51 Ca -0.25 0.05 -0.39 0.00 -0.87 0.00 0.00 66.00 64.54 1a8m h PRO 51 Cb 1.10 0.18 -0.17 0.00 0.13 0.00 0.00 31.00 32.24 1a8m h PRO 51 CO 0.89 -0.52 -0.74 -1.54 -0.23 0.00 0.00 178.00 175.85 1a8m s SER 52 N -4.58 1.99 0.06 1.44 1.04 -1.26 -4.43 113.70 107.95 1a8m s SER 52 Ca -0.17 -0.88 -0.31 0.00 0.48 0.00 0.00 55.95 55.07 1a8m s SER 52 Cb 0.06 -0.06 -0.08 0.00 0.10 0.00 0.00 66.02 66.04 1a8m s SER 52 CO 0.62 -0.20 1.61 -0.70 0.98 0.00 0.00 173.24 175.55 1a8m s GLU 53 N -3.05 4.21 0.00 4.02 2.12 -1.26 -4.53 118.70 120.22 1a8m s GLU 53 Ca 0.12 2.28 0.00 0.00 0.36 0.00 0.00 54.97 57.73 1a8m s GLU 53 Cb -0.03 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.77 1a8m s GLU 53 CO 0.03 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.45 1a8m n GLY 54 N 3.94 2.56 3.14 -1.50 0.00 -1.07 -4.98 105.19 107.29 1a8m n GLY 54 Ca 0.15 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 1a8m n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a8m s LEU 55 N 0.00 1.90 0.05 0.99 1.43 -1.26 -3.56 118.68 118.24 1a8m s LEU 55 Ca 0.00 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1a8m s LEU 55 Cb 0.00 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1a8m s LEU 55 CO 0.00 0.13 -0.13 -0.31 0.23 0.00 0.00 176.35 176.27 1a8m s TYR 56 N 0.24 1.16 -0.08 0.29 1.51 0.22 -0.05 117.35 120.65 1a8m s TYR 56 Ca -0.10 -0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 55.38 1a8m s TYR 56 Cb -0.14 -0.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.99 1a8m s TYR 56 CO 0.04 0.04 0.43 -1.17 -1.11 0.00 0.00 175.55 173.78 1a8m s LEU 57 N -1.45 4.34 -0.55 -1.29 2.96 -1.02 -0.37 118.68 121.31 1a8m s LEU 57 Ca -0.01 0.82 0.06 0.00 -0.22 0.00 0.00 54.13 54.79 1a8m s LEU 57 Cb -0.09 -2.62 0.32 0.00 0.50 0.00 0.00 46.19 44.30 1a8m s LEU 57 CO 0.02 0.12 0.85 -0.38 -1.32 0.00 0.00 176.35 175.64 1a8m n ILE 58 N 3.05 2.22 -1.19 6.68 5.41 0.40 -2.55 119.36 133.39 1a8m n ILE 58 Ca -0.10 -5.27 -0.29 0.00 1.00 0.00 0.00 62.75 58.08 1a8m n ILE 58 Cb 0.52 -1.38 0.15 0.00 -0.71 0.00 0.00 39.64 38.22 1a8m n ILE 58 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1a8m s TYR 59 N -3.00 2.23 -0.11 1.39 1.13 -1.13 -4.42 117.35 113.44 1a8m s TYR 59 Ca 0.45 1.16 -0.31 0.00 -1.41 0.00 0.00 57.07 56.96 1a8m s TYR 59 Cb 0.26 -3.20 0.12 0.00 -1.10 0.00 0.00 41.96 38.04 1a8m s TYR 59 CO -0.10 -2.59 1.01 0.45 -2.51 0.00 0.00 175.55 171.81 1a8m s SER 60 N -3.43 -0.31 -0.21 -0.18 0.15 -0.16 -1.83 113.70 107.74 1a8m s SER 60 Ca 0.64 0.15 -0.12 0.00 0.70 0.00 0.00 55.95 57.32 1a8m s SER 60 Cb -0.18 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.48 1a8m s SER 60 CO 0.57 -0.42 0.51 -1.58 1.20 0.00 0.00 173.24 173.52 1a8m s GLN 61 N -2.15 0.52 0.30 5.44 0.74 0.47 -1.47 119.66 123.50 1a8m s GLN 61 Ca 0.04 0.91 0.09 0.00 0.05 0.00 0.00 55.36 56.45 1a8m s GLN 61 Cb -0.01 0.07 -0.06 0.00 1.10 0.00 0.00 33.01 34.11 1a8m s GLN 61 CO -0.04 -0.14 -0.11 0.14 -0.55 0.00 0.00 175.29 174.58 1a8m s VAL 62 N 1.32 2.06 -0.12 1.34 -7.23 -1.21 0.12 120.40 116.68 1a8m s VAL 62 Ca -0.08 -2.23 -0.02 0.00 -1.81 0.00 0.00 61.98 57.84 1a8m s VAL 62 Cb -0.07 -2.45 0.04 0.00 0.56 0.00 0.00 36.38 34.46 1a8m s VAL 62 CO -0.13 -0.32 0.01 -0.22 -0.31 0.00 0.00 175.10 174.13 1a8m s LEU 63 N -3.51 0.80 0.32 1.32 2.96 -1.23 -3.12 118.68 116.23 1a8m s LEU 63 Ca 0.30 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1a8m s LEU 63 Cb 0.01 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 1a8m s LEU 63 CO 0.14 -0.23 0.56 -0.36 -1.32 0.00 0.00 176.35 175.14 1a8m s PHE 64 N 1.93 3.49 -0.26 5.38 0.08 -0.79 -0.71 117.98 127.11 1a8m s PHE 64 Ca 0.03 0.53 -0.22 0.00 0.12 0.00 0.00 56.93 57.39 1a8m s PHE 64 Cb -0.14 -2.03 0.07 0.00 -0.57 0.00 0.00 43.02 40.35 1a8m s PHE 64 CO -0.06 0.12 0.68 0.21 -0.10 0.00 0.00 175.22 176.07 1a8m s LYS 65 N -3.94 0.78 0.24 0.44 2.20 -0.53 -1.01 119.74 117.91 1a8m s LYS 65 Ca 0.42 1.00 -0.02 0.00 -0.36 0.00 0.00 55.97 57.02 1a8m s LYS 65 Cb -0.10 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1a8m s LYS 65 CO 0.34 -0.11 0.23 0.20 -0.36 0.00 0.00 175.35 175.65 1a8m s GLY 66 N 0.62 1.44 -0.15 5.54 0.00 -1.19 -4.60 107.32 108.98 1a8m s GLY 66 Ca -0.02 -1.62 0.02 0.00 0.00 0.00 0.00 44.72 43.10 1a8m s GLY 66 CO -0.03 -1.27 -0.21 1.20 0.00 0.00 0.00 173.10 172.79 1a8m s GLN 67 N -3.96 3.02 0.43 2.90 -1.52 -1.26 -2.69 119.66 116.57 1a8m s GLN 67 Ca 0.36 -0.84 0.00 0.00 -1.95 0.00 0.00 55.36 52.93 1a8m s GLN 67 Cb 0.05 -2.49 0.00 0.00 -0.22 0.00 0.00 33.01 30.35 1a8m s GLN 67 CO 0.14 -0.08 0.00 0.41 -0.25 0.00 0.00 175.29 175.51 1a8m n GLY 68 N 4.26 -2.51 3.47 3.09 0.00 -0.73 -4.76 105.19 108.02 1a8m n GLY 68 Ca -0.20 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1a8m n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8m s PRO 70 N 2.12 -1.07 0.74 0.00 0.04 -1.26 -3.77 135.00 131.80 1a8m s PRO 70 Ca 0.11 0.00 -0.13 0.00 0.04 0.00 0.00 61.00 61.03 1a8m s PRO 70 Cb -0.18 -1.61 0.17 0.00 0.04 0.00 0.00 34.50 32.93 1a8m s PRO 70 CO 0.13 -3.62 0.94 -1.13 0.04 0.00 0.00 177.00 173.35 1a8m n SER 71 N -4.71 -0.25 -2.09 6.66 3.41 -1.26 -4.78 113.62 110.60 1a8m n SER 71 Ca 0.12 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1a8m n SER 71 Cb 0.59 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1a8m n SER 71 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1a8m n THR 72 N -3.49-11.61 -1.61 6.66 -1.04 -1.26 -4.75 114.28 97.18 1a8m n THR 72 Ca 0.12 2.68 -0.45 0.00 -2.04 0.00 0.00 64.05 64.36 1a8m n THR 72 Cb 0.42 -5.54 -0.04 0.00 -1.82 0.00 0.00 70.33 63.35 1a8m n THR 72 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1a8m n HIS 73 N 1.54 2.14 -2.50 -1.42 -0.00 -1.26 -4.90 115.22 108.82 1a8m n HIS 73 Ca 0.00 -0.11 -0.41 0.00 0.46 0.00 0.00 57.72 57.66 1a8m n HIS 73 Cb 0.00 -2.71 -0.03 0.00 -0.12 0.00 0.00 29.99 27.13 1a8m n HIS 73 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1a8m s VAL 74 N 6.24 3.79 -0.22 3.57 1.01 -1.26 -4.97 120.40 128.55 1a8m s VAL 74 Ca 0.97 0.58 -0.07 0.00 0.00 0.00 0.00 61.98 63.47 1a8m s VAL 74 Cb -0.51 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.12 1a8m s VAL 74 CO 0.43 -1.53 0.05 -0.76 0.00 0.00 0.00 175.10 173.28 1a8m s LEU 75 N 5.80 3.44 0.02 3.92 1.43 -1.26 -4.11 118.68 127.91 1a8m s LEU 75 Ca 0.42 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1a8m s LEU 75 Cb -0.09 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1a8m s LEU 75 CO 0.20 0.03 0.10 -0.76 0.23 0.00 0.00 176.35 176.16 1a8m s LEU 76 N 1.20 3.97 0.04 1.79 1.43 0.17 -4.95 118.68 122.33 1a8m s LEU 76 Ca 0.04 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 1a8m s LEU 76 Cb -0.14 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1a8m s LEU 76 CO 0.03 0.24 0.20 0.42 0.23 0.00 0.00 176.35 177.47 1a8m s THR 77 N -1.27 0.11 -0.16 5.49 -4.23 -1.26 -0.14 115.64 114.18 1a8m s THR 77 Ca 0.25 -0.89 -0.10 0.00 -1.18 0.00 0.00 61.69 59.78 1a8m s THR 77 Cb -0.12 -0.91 0.05 0.00 1.34 0.00 0.00 72.50 72.86 1a8m s THR 77 CO 0.17 -0.49 0.39 -2.28 -0.54 0.00 0.00 174.62 171.87 1a8m s HIS 78 N -2.57 -0.53 -0.03 3.99 5.04 -0.61 -3.06 115.29 117.52 1a8m s HIS 78 Ca -0.05 1.17 -0.09 0.00 -1.54 0.00 0.00 55.06 54.55 1a8m s HIS 78 Cb -0.01 0.21 0.01 0.00 0.04 0.00 0.00 32.58 32.83 1a8m s HIS 78 CO -0.04 -0.30 0.20 0.95 -2.34 0.00 0.00 174.74 173.21 1a8m s THR 79 N 1.12 0.05 -0.38 0.89 -4.23 -0.10 -2.14 115.64 110.84 1a8m s THR 79 Ca -0.07 -0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 59.96 1a8m s THR 79 Cb -0.07 -0.43 0.07 0.00 1.34 0.00 0.00 72.50 73.41 1a8m s THR 79 CO -0.09 -0.23 0.17 -0.63 -0.54 0.00 0.00 174.62 173.29 1a8m s ILE 80 N -0.88 3.73 0.22 2.99 1.01 0.47 -1.21 121.20 127.53 1a8m s ILE 80 Ca -0.10 -1.46 0.05 0.00 0.00 0.00 0.00 60.65 59.15 1a8m s ILE 80 Cb -0.05 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1a8m s ILE 80 CO 0.02 -0.40 0.27 -0.94 0.00 0.00 0.00 174.94 173.89 1a8m s SER 81 N 1.73 5.99 -0.05 3.58 1.04 -1.08 -0.42 113.70 124.50 1a8m s SER 81 Ca 0.02 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.41 1a8m s SER 81 Cb -0.21 -1.68 0.03 0.00 0.10 0.00 0.00 66.02 64.25 1a8m s SER 81 CO 0.01 -0.02 -0.01 -0.60 0.98 0.00 0.00 173.24 173.59 1a8m s ARG 82 N -3.70 0.55 -0.32 4.02 3.52 0.11 -2.55 118.95 120.59 1a8m s ARG 82 Ca 0.33 0.05 -0.09 0.00 -0.13 0.00 0.00 55.73 55.89 1a8m s ARG 82 Cb -0.09 -0.77 0.01 0.00 -1.56 0.00 0.00 34.95 32.54 1a8m s ARG 82 CO 0.27 -0.19 0.14 0.96 -0.81 0.00 0.00 175.30 175.67 1a8m s ILE 83 N 1.40 4.40 0.24 4.11 -5.25 -0.53 -2.13 121.20 123.43 1a8m s ILE 83 Ca -0.04 -0.60 -0.12 0.00 -0.99 0.00 0.00 60.65 58.89 1a8m s ILE 83 Cb -0.13 -3.30 -0.08 0.00 2.95 0.00 0.00 42.46 41.90 1a8m s ILE 83 CO -0.03 0.00 0.60 0.00 -1.79 0.00 0.00 174.94 173.73 1a8m s ALA 84 N 1.56 3.50 0.02 2.27 0.00 -1.23 -0.71 121.76 127.18 1a8m s ALA 84 Ca 0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1a8m s ALA 84 Cb -0.18 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 1a8m s ALA 84 CO 0.05 0.45 0.76 0.28 0.00 0.00 0.00 175.76 177.30 1a8m n VAL 85 N 0.04 -0.10 0.00 0.00 0.31 -1.26 -2.24 118.33 115.07 1a8m n VAL 85 Ca -0.00 1.16 0.00 0.00 -0.01 0.00 0.00 64.34 65.49 1a8m n VAL 85 Cb 0.52 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1a8m n VAL 85 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1a8m n SER 86 N -3.17 0.00 -4.56 4.52 3.41 -1.26 -4.29 113.62 108.28 1a8m n SER 86 Ca 0.00 0.48 -0.36 0.00 -0.26 0.00 0.00 58.87 58.73 1a8m n SER 86 Cb 0.04 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1a8m n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a8m n TYR 87 N -0.88 3.71 -1.55 7.33 9.36 -1.21 -4.88 117.16 129.04 1a8m n TYR 87 Ca 0.00 -2.18 -0.42 0.00 3.32 0.00 0.00 57.90 58.62 1a8m n TYR 87 Cb 0.00 -2.62 -0.02 0.00 -0.63 0.00 0.00 39.34 36.06 1a8m n TYR 87 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1a8m n GLN 88 N 8.29 2.32 -3.96 2.98 6.02 -0.95 -3.49 117.38 128.59 1a8m n GLN 88 Ca 0.47 -2.33 -0.09 0.00 -0.01 0.00 0.00 57.00 55.04 1a8m n GLN 88 Cb 0.46 -3.16 -0.09 0.00 1.02 0.00 0.00 30.24 28.46 1a8m n GLN 88 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1a8m s THR 89 N 4.08 0.15 -0.69 5.09 -4.23 -1.26 -4.97 115.64 113.81 1a8m s THR 89 Ca 0.52 -1.27 -0.27 0.00 -1.18 0.00 0.00 61.69 59.48 1a8m s THR 89 Cb 0.14 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.93 1a8m s THR 89 CO -0.00 -0.70 1.34 -0.54 -0.54 0.00 0.00 174.62 174.18 1a8m s LYS 90 N -3.03 3.18 -0.03 3.99 1.02 -1.26 -4.24 119.74 119.38 1a8m s LYS 90 Ca -0.01 -0.02 -0.15 0.00 0.02 0.00 0.00 55.97 55.81 1a8m s LYS 90 Cb 0.01 -4.17 -0.05 0.00 -0.52 0.00 0.00 37.83 33.10 1a8m s LYS 90 CO -0.07 -2.13 0.39 0.54 -0.92 0.00 0.00 175.35 173.17 1a8m s VAL 91 N 6.02 5.09 -0.25 3.17 0.11 -0.90 -4.86 120.40 128.76 1a8m s VAL 91 Ca 0.41 0.79 -0.29 0.00 -2.93 0.00 0.00 61.98 59.96 1a8m s VAL 91 Cb -0.09 -3.70 0.01 0.00 -1.53 0.00 0.00 36.38 31.08 1a8m s VAL 91 CO 0.18 0.55 1.06 0.20 -3.33 0.00 0.00 175.10 173.76 1a8m s ASN 92 N -0.82 7.04 0.00 3.54 0.02 -1.26 0.07 114.94 123.53 1a8m s ASN 92 Ca 0.23 1.29 0.00 0.00 -1.02 0.00 0.00 52.86 53.36 1a8m s ASN 92 Cb -0.16 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.57 1a8m s ASN 92 CO 0.12 -0.74 0.00 0.18 0.02 0.00 0.00 177.10 176.68 1a8m n LEU 93 N 6.51 0.00 -4.75 0.60 4.77 0.44 -4.94 117.00 119.64 1a8m n LEU 93 Ca 0.12 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.84 1a8m n LEU 93 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1a8m n LEU 93 CO 0.54 0.00 -0.26 -0.76 -1.33 0.00 0.00 177.39 175.58 1a8m s LEU 94 N 0.00 3.63 0.25 2.23 1.02 -0.95 -4.94 118.68 119.93 1a8m s LEU 94 Ca 0.00 -0.21 -0.16 0.00 0.02 0.00 0.00 54.13 53.78 1a8m s LEU 94 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.95 1a8m s LEU 94 CO 0.00 0.08 0.55 -0.94 0.02 0.00 0.00 176.35 176.07 1a8m s SER 95 N -3.00 -0.15 -0.29 2.29 1.04 -1.26 -0.40 113.70 111.94 1a8m s SER 95 Ca 0.30 -0.81 -0.25 0.00 0.48 0.00 0.00 55.95 55.66 1a8m s SER 95 Cb -0.10 0.63 0.15 0.00 0.10 0.00 0.00 66.02 66.80 1a8m s SER 95 CO 0.22 -1.20 1.20 0.00 0.98 0.00 0.00 173.24 174.43 1a8m s ALA 96 N -3.98 -2.07 0.06 5.32 0.00 -0.91 -5.01 121.76 115.17 1a8m s ALA 96 Ca 0.18 1.80 0.05 0.00 0.00 0.00 0.00 51.96 53.99 1a8m s ALA 96 Cb -0.02 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1a8m s ALA 96 CO 0.08 -0.18 -0.08 0.42 0.00 0.00 0.00 175.76 176.00 1a8m s ILE 97 N 0.13 3.53 -0.04 0.00 -1.09 -1.26 -1.57 121.20 120.90 1a8m s ILE 97 Ca 0.05 -1.04 -0.04 0.00 -2.23 0.00 0.00 60.65 57.39 1a8m s ILE 97 Cb -0.05 -2.61 0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1a8m s ILE 97 CO -0.10 0.23 0.12 -0.54 -1.23 0.00 0.00 174.94 173.42 1a8m s LYS 98 N -1.88 0.13 -0.38 2.79 1.02 0.81 -4.96 119.74 117.27 1a8m s LYS 98 Ca 0.20 0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.39 1a8m s LYS 98 Cb -0.11 0.05 0.11 0.00 -0.52 0.00 0.00 37.83 37.36 1a8m s LYS 98 CO 0.12 -0.03 0.13 -1.54 -0.92 0.00 0.00 175.35 173.11 1a8m s SER 99 N 0.14 4.23 0.00 2.83 1.04 -1.26 0.43 113.70 121.11 1a8m s SER 99 Ca -0.01 -2.20 0.27 0.00 0.48 0.00 0.00 55.95 54.49 1a8m s SER 99 Cb -0.02 -1.26 1.48 0.00 0.10 0.00 0.00 66.02 66.33 1a8m s SER 99 CO -0.00 -0.35 1.95 -0.81 0.98 0.00 0.00 173.24 175.01 1a8m n PRO 100 N 4.14 0.58 -5.29 4.02 -0.04 -1.26 -4.76 135.00 132.40 1a8m n PRO 100 Ca 0.03 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 1a8m n PRO 100 Cb 0.39 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 1a8m n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a8m n GLN 102 N 2.70 0.00 -0.55 0.00 1.13 -1.26 -4.87 117.38 114.53 1a8m n GLN 102 Ca -0.17 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.69 1a8m n GLN 102 Cb 0.51 -0.25 0.02 0.00 0.11 0.00 0.00 30.24 30.63 1a8m n GLN 102 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1a8m n ARG 103 N -2.79 0.00 0.03 -1.09 3.00 -1.26 -4.81 116.66 109.74 1a8m n ARG 103 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1a8m n ARG 103 Cb 0.24 -0.55 0.09 0.00 0.00 0.00 0.00 32.46 32.24 1a8m n ARG 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1a8m n GLU 104 N 1.38 0.02 -1.45 -0.14 0.00 -1.26 -4.86 120.64 114.33 1a8m n GLU 104 Ca -0.01 0.51 0.00 0.00 0.00 0.00 0.00 57.16 57.66 1a8m n GLU 104 Cb 0.33 -1.59 0.00 0.00 0.00 0.00 0.00 31.44 30.18 1a8m n GLU 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1a8m n THR 105 N -1.61 -2.44 0.00 6.31 -2.24 -1.26 -4.99 114.28 108.06 1a8m n THR 105 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a8m n THR 105 Cb 0.02 -3.60 0.00 0.00 -2.10 0.00 0.00 70.33 64.64 1a8m n THR 105 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1a8m n PRO 106 N 0.02 0.00 0.00 -0.78 -0.02 -1.25 -4.99 135.00 127.99 1a8m n PRO 106 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1a8m n PRO 106 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1a8m n PRO 106 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1a8m n GLU 107 N 0.00 0.00 0.00 -0.52 0.00 -1.26 -4.97 120.64 113.89 1a8m n GLU 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1a8m n GLU 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1a8m n GLU 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a8m n GLY 108 N 0.00 0.00 3.40 8.31 0.00 -1.26 -3.75 105.19 111.89 1a8m n GLY 108 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1a8m n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8m s ALA 109 N -1.43 -2.69 1.00 4.61 0.00 -1.26 -5.18 121.76 116.80 1a8m s ALA 109 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1a8m s ALA 109 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1a8m s ALA 109 CO 0.00 -0.99 0.00 0.39 0.00 0.00 0.00 175.76 175.16 1a8m n GLU 110 N 5.04 -0.32 0.00 0.00 4.71 -1.25 -4.93 120.64 123.89 1a8m n GLU 110 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 1a8m n GLU 110 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.95 1a8m n GLU 110 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a8m n ALA 111 N -3.00 0.00 -1.85 0.62 0.00 -1.26 -4.97 120.51 110.05 1a8m n ALA 111 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1a8m n ALA 111 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1a8m n ALA 111 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1a8m n LYS 112 N 14.00 -1.29 -3.08 0.00 4.81 -1.26 -3.32 118.16 128.02 1a8m n LYS 112 Ca 0.00 1.33 -0.39 0.00 -0.87 0.00 0.00 58.31 58.38 1a8m n LYS 112 Cb 0.00 -2.28 -0.06 0.00 0.02 0.00 0.00 35.03 32.71 1a8m n LYS 112 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1a8m s PRO 113 N -0.75 4.43 0.47 1.64 0.04 -1.26 -1.77 135.00 137.81 1a8m s PRO 113 Ca -0.06 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 1a8m s PRO 113 Cb 0.00 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1a8m s PRO 113 CO 0.24 0.49 0.73 1.67 0.04 0.00 0.00 177.00 180.17 1a8m s TRP 114 N -0.74 3.33 0.00 0.56 1.48 -1.09 -4.94 118.94 117.54 1a8m s TRP 114 Ca 0.34 0.45 0.02 0.00 -1.06 0.00 0.00 56.10 55.85 1a8m s TRP 114 Cb -0.21 -2.35 -0.01 0.00 -1.16 0.00 0.00 33.47 29.74 1a8m s TRP 114 CO 0.23 -0.39 -0.06 0.71 -4.06 0.00 0.00 176.95 173.38 1a8m s TYR 115 N -2.66 0.52 -0.27 1.66 1.51 -1.26 -3.19 117.35 113.65 1a8m s TYR 115 Ca 0.48 -0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 56.37 1a8m s TYR 115 Cb -0.10 -0.33 0.13 0.00 -0.11 0.00 0.00 41.96 41.55 1a8m s TYR 115 CO 0.41 -0.02 0.30 -1.21 -1.11 0.00 0.00 175.55 173.92 1a8m s GLU 116 N -0.37 0.32 0.22 -0.62 0.41 -0.18 -4.98 118.70 113.49 1a8m s GLU 116 Ca 0.00 -0.01 -0.06 0.00 -0.41 0.00 0.00 54.97 54.49 1a8m s GLU 116 Cb -0.03 -0.68 -0.06 0.00 -1.78 0.00 0.00 34.13 31.58 1a8m s GLU 116 CO -0.00 -0.95 0.48 -1.25 -0.49 0.00 0.00 175.26 173.05 1a8m s PRO 117 N 2.39 3.66 0.02 0.39 0.04 -1.26 -1.89 135.00 138.35 1a8m s PRO 117 Ca 0.09 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.17 1a8m s PRO 117 Cb -0.14 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1a8m s PRO 117 CO -0.29 0.34 -0.09 0.42 0.04 0.00 0.00 177.00 177.43 1a8m s ILE 118 N -1.85 0.65 0.01 0.56 1.01 -1.18 -4.99 121.20 115.41 1a8m s ILE 118 Ca 0.43 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.42 1a8m s ILE 118 Cb -0.11 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 1a8m s ILE 118 CO 0.26 -0.07 -0.15 -0.47 0.00 0.00 0.00 174.94 174.50 1a8m s TYR 119 N -0.73 1.34 -0.07 3.97 5.04 -1.26 -3.35 117.35 122.29 1a8m s TYR 119 Ca -0.02 -0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 1a8m s TYR 119 Cb -0.06 -0.84 0.02 0.00 0.35 0.00 0.00 41.96 41.43 1a8m s TYR 119 CO 0.00 0.00 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.64 1a8m s LEU 120 N -0.61 1.29 -0.07 6.97 1.02 -0.54 -4.99 118.68 121.75 1a8m s LEU 120 Ca 0.05 -0.20 -0.05 0.00 0.02 0.00 0.00 54.13 53.95 1a8m s LEU 120 Cb -0.06 -0.62 0.02 0.00 0.02 0.00 0.00 46.19 45.55 1a8m s LEU 120 CO 0.00 -0.06 0.17 -0.83 0.02 0.00 0.00 176.35 175.65 1a8m s GLY 121 N 1.13 -0.11 0.12 -3.19 0.00 -1.26 -0.99 107.32 103.02 1a8m s GLY 121 Ca -0.07 0.54 -0.25 0.00 0.00 0.00 0.00 44.72 44.94 1a8m s GLY 121 CO -0.01 0.57 0.86 -0.32 0.00 0.00 0.00 173.10 174.19 1a8m s GLY 122 N 0.36 -0.34 -0.27 0.20 0.00 -1.26 -4.95 107.32 101.06 1a8m s GLY 122 Ca -0.02 0.40 -0.05 0.00 0.00 0.00 0.00 44.72 45.05 1a8m s GLY 122 CO -0.02 0.12 0.02 0.14 0.00 0.00 0.00 173.10 173.36 1a8m s VAL 123 N -3.37 3.55 0.13 1.40 1.01 -1.26 -0.45 120.40 121.40 1a8m s VAL 123 Ca 0.08 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1a8m s VAL 123 Cb -0.02 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1a8m s VAL 123 CO -0.03 0.16 -0.11 -0.36 0.00 0.00 0.00 175.10 174.77 1a8m s PHE 124 N 1.44 1.24 -0.22 5.22 0.40 0.50 -4.94 117.98 121.62 1a8m s PHE 124 Ca 0.02 -0.69 -0.13 0.00 -0.60 0.00 0.00 56.93 55.53 1a8m s PHE 124 Cb -0.17 -0.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.68 1a8m s PHE 124 CO -0.00 0.07 0.26 -1.14 0.70 0.00 0.00 175.22 175.11 1a8m s GLN 125 N -3.28 4.13 0.09 0.44 0.74 -1.26 -0.61 119.66 119.91 1a8m s GLN 125 Ca 0.12 -0.06 0.07 0.00 0.05 0.00 0.00 55.36 55.54 1a8m s GLN 125 Cb -0.00 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 1a8m s GLN 125 CO 0.01 0.05 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.11 1a8m s LEU 126 N 1.06 2.29 0.00 3.68 1.43 -1.23 -5.02 118.68 120.89 1a8m s LEU 126 Ca 0.13 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1a8m s LEU 126 Cb -0.14 -0.77 0.08 0.00 0.03 0.00 0.00 46.19 45.39 1a8m s LEU 126 CO 0.05 0.02 0.64 -0.62 0.23 0.00 0.00 176.35 176.67 1a8m n GLU 127 N 1.16 0.63 -2.35 1.70 1.02 -1.26 -2.61 120.64 118.93 1a8m n GLU 127 Ca -0.20 -3.26 -0.42 0.00 -0.02 0.00 0.00 57.16 53.26 1a8m n GLU 127 Cb 0.54 0.01 -0.03 0.00 -0.02 0.00 0.00 31.44 31.94 1a8m n GLU 127 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1a8m s LYS 128 N -4.48 4.33 0.00 3.49 2.20 -1.26 -2.88 119.74 121.14 1a8m s LYS 128 Ca 0.49 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 1a8m s LYS 128 Cb -0.04 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1a8m s LYS 128 CO 0.31 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1a8m n GLY 129 N 3.47 0.44 3.75 5.54 0.00 -0.15 -4.81 105.19 113.43 1a8m n GLY 129 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1a8m n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a8m s ASP 130 N -2.49 4.61 0.15 1.61 1.11 -1.14 -4.32 116.67 116.20 1a8m s ASP 130 Ca 0.00 2.05 0.05 0.00 0.18 0.00 0.00 52.55 54.83 1a8m s ASP 130 Cb 0.00 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1a8m s ASP 130 CO 0.00 -1.97 -0.12 -0.13 1.18 0.00 0.00 175.17 174.13 1a8m s ARG 131 N -4.27 1.09 0.19 8.23 0.52 0.12 -0.70 118.95 124.13 1a8m s ARG 131 Ca 0.67 -1.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1a8m s ARG 131 Cb -0.22 -0.78 -0.05 0.00 0.52 0.00 0.00 34.95 34.43 1a8m s ARG 131 CO 0.47 0.12 0.02 -0.51 0.02 0.00 0.00 175.30 175.42 1a8m s LEU 132 N -2.97 2.00 -0.30 2.53 1.43 0.27 -1.45 118.68 120.19 1a8m s LEU 132 Ca 0.15 -1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 51.89 1a8m s LEU 132 Cb -0.00 -0.04 0.17 0.00 0.03 0.00 0.00 46.19 46.35 1a8m s LEU 132 CO 0.02 -0.60 1.02 -0.94 0.23 0.00 0.00 176.35 176.08 1a8m s SER 133 N -3.20 -0.53 -0.31 2.29 1.04 -1.05 -1.72 113.70 110.21 1a8m s SER 133 Ca 0.27 0.63 -0.17 0.00 0.48 0.00 0.00 55.95 57.16 1a8m s SER 133 Cb 0.06 1.56 -0.02 0.00 0.10 0.00 0.00 66.02 67.73 1a8m s SER 133 CO 0.06 -0.10 0.47 0.00 0.98 0.00 0.00 173.24 174.65 1a8m s ALA 134 N 2.51 3.52 0.09 5.32 0.00 -1.26 -2.63 121.76 129.31 1a8m s ALA 134 Ca -0.01 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1a8m s ALA 134 Cb -0.07 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1a8m s ALA 134 CO -0.16 -1.00 -0.08 -1.83 0.00 0.00 0.00 175.76 172.69 1a8m s GLU 135 N 2.28 0.78 0.23 0.00 -1.05 -0.35 -4.97 118.70 115.63 1a8m s GLU 135 Ca 0.18 -1.15 0.10 0.00 -0.15 0.00 0.00 54.97 53.95 1a8m s GLU 135 Cb -0.16 -0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 33.13 1a8m s GLU 135 CO 0.12 0.04 -0.19 0.96 0.95 0.00 0.00 175.26 177.13 1a8m s ILE 136 N -2.71 2.16 -0.51 1.83 -0.00 -1.26 -0.93 121.20 119.78 1a8m s ILE 136 Ca 0.05 -2.23 0.24 0.00 -0.00 0.00 0.00 60.65 58.72 1a8m s ILE 136 Cb -0.01 -2.13 0.32 0.00 -0.00 0.00 0.00 42.46 40.64 1a8m s ILE 136 CO -0.02 -0.40 1.68 -0.55 -0.00 0.00 0.00 174.94 175.66 1a8m h ASN 137 N 2.64 0.00 -2.93 4.36 -1.07 -1.94 -3.40 115.58 113.23 1a8m h ASN 137 Ca -0.41 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 55.36 1a8m h ASN 137 Cb 1.23 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 37.09 1a8m h ASN 137 CO 0.57 0.00 -0.80 -0.13 0.07 0.00 0.00 177.43 177.15 1a8m s ARG 138 N -3.19 1.32 0.00 4.14 1.81 -1.26 -4.94 118.95 116.83 1a8m s ARG 138 Ca 0.08 -2.24 0.13 0.00 -1.72 0.00 0.00 55.73 51.98 1a8m s ARG 138 Cb 0.08 -2.14 0.65 0.00 -0.45 0.00 0.00 34.95 33.09 1a8m s ARG 138 CO 0.64 -1.27 1.38 -2.30 -0.68 0.00 0.00 175.30 173.06 1a8m n PRO 139 N 3.04 0.14 0.09 3.54 -0.02 -1.26 -2.22 135.00 138.31 1a8m n PRO 139 Ca 0.18 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.72 1a8m n PRO 139 Cb 0.39 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.29 1a8m n PRO 139 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1a8m h ASP 140 N 0.00 0.42 1.14 2.55 2.03 -1.92 -3.23 116.42 117.42 1a8m h ASP 140 Ca 0.00 -0.39 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1a8m h ASP 140 Cb 0.15 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1a8m h ASP 140 CO 0.00 1.23 -0.48 1.88 -1.03 0.00 0.00 179.24 180.84 1a8m h TYR 141 N 0.14 0.00 -2.26 4.15 0.05 -1.70 -3.47 116.97 113.88 1a8m h TYR 141 Ca -0.09 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.07 1a8m h TYR 141 Cb 1.73 0.00 0.12 0.00 1.01 0.00 0.00 36.73 39.59 1a8m h TYR 141 CO 0.05 0.00 -0.09 1.28 -1.05 0.00 0.00 178.16 178.35 1a8m n LEU 142 N -2.34 0.98 -4.33 3.88 4.77 -1.24 -1.46 117.00 117.27 1a8m n LEU 142 Ca 0.03 1.10 -0.30 0.00 -0.03 0.00 0.00 56.01 56.82 1a8m n LEU 142 Cb 0.46 -1.20 -0.15 0.00 -2.33 0.00 0.00 43.42 40.20 1a8m n LEU 142 CO 0.35 -1.99 -0.56 -0.62 -1.33 0.00 0.00 177.39 173.24 1a8m s ASP 143 N -0.73 3.05 -0.35 -1.43 2.15 0.12 -4.79 116.67 114.68 1a8m s ASP 143 Ca 0.61 -0.56 0.14 0.00 0.43 0.00 0.00 52.55 53.17 1a8m s ASP 143 Cb -0.70 -0.29 0.42 0.00 -0.30 0.00 0.00 42.92 42.05 1a8m s ASP 143 CO 0.59 0.26 1.32 2.22 -0.17 0.00 0.00 175.17 179.38 1a8m n PHE 144 N 1.92 -1.28 -1.53 -5.34 1.16 -1.26 -4.73 117.46 106.40 1a8m n PHE 144 Ca -0.17 -2.03 -0.30 0.00 -1.87 0.00 0.00 57.45 53.08 1a8m n PHE 144 Cb 0.52 1.03 -0.01 0.00 -1.61 0.00 0.00 39.48 39.41 1a8m n PHE 144 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1a8m n ALA 145 N -0.81 6.34 -1.00 1.98 0.00 -1.26 -4.65 120.51 121.11 1a8m n ALA 145 Ca -0.04 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1a8m n ALA 145 Cb 0.85 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1a8m n ALA 145 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1a8m n GLU 146 N 0.35 0.00 -1.52 0.00 0.28 -1.26 -5.05 120.64 113.44 1a8m n GLU 146 Ca 0.49 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1a8m n GLU 146 Cb 0.48 -0.06 -0.00 0.00 1.43 0.00 0.00 31.44 33.29 1a8m n GLU 146 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1a8m n SER 147 N 0.00 -2.04 0.00 -1.84 7.64 -1.26 -4.64 113.62 111.47 1a8m n SER 147 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1a8m n SER 147 Cb 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1a8m n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a8m n GLY 148 N 0.02 0.56 0.11 0.23 0.00 -1.26 -4.92 105.19 99.93 1a8m n GLY 148 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1a8m n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a8m h GLN 149 N 1.31 0.00 -4.17 1.61 4.20 -1.92 -3.45 115.11 112.70 1a8m h GLN 149 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1a8m h GLN 149 Cb 0.00 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.43 1a8m h GLN 149 CO 0.00 0.31 -0.79 0.08 -0.67 0.00 0.00 178.83 177.76 1a8m s VAL 150 N -2.98 0.81 0.12 -0.54 1.01 -1.26 -3.52 120.40 114.04 1a8m s VAL 150 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1a8m s VAL 150 Cb 0.08 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1a8m s VAL 150 CO 0.79 0.31 0.37 -0.72 0.00 0.00 0.00 175.10 175.85 1a8m s TYR 151 N 1.24 -0.14 -0.15 5.22 1.13 0.32 -2.99 117.35 121.98 1a8m s TYR 151 Ca -0.05 -0.20 -0.07 0.00 -1.41 0.00 0.00 57.07 55.35 1a8m s TYR 151 Cb -0.14 0.21 0.06 0.00 -1.10 0.00 0.00 41.96 41.00 1a8m s TYR 151 CO -0.02 -0.69 0.34 0.12 -2.51 0.00 0.00 175.55 172.79 1a8m s PHE 152 N -3.82 -0.53 0.03 -3.49 5.36 0.15 -0.40 117.98 115.29 1a8m s PHE 152 Ca 0.04 1.13 -0.15 0.00 -0.96 0.00 0.00 56.93 56.99 1a8m s PHE 152 Cb 0.02 0.15 0.02 0.00 -0.34 0.00 0.00 43.02 42.88 1a8m s PHE 152 CO -0.11 -0.34 0.33 0.20 -1.46 0.00 0.00 175.22 173.84 1a8m s GLY 153 N 1.78 -0.16 0.03 13.12 0.00 -0.76 0.08 107.32 121.40 1a8m s GLY 153 Ca -0.06 0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.81 1a8m s GLY 153 CO -0.11 -0.09 -0.07 -0.26 0.00 0.00 0.00 173.10 172.57 1a8m s ILE 154 N -2.33 0.49 -0.01 0.90 -4.36 -0.68 -2.86 121.20 112.35 1a8m s ILE 154 Ca -0.06 -0.81 -0.00 0.00 -0.26 0.00 0.00 60.65 59.52 1a8m s ILE 154 Cb -0.02 -0.52 0.01 0.00 1.25 0.00 0.00 42.46 43.19 1a8m s ILE 154 CO -0.02 -0.23 0.02 -0.51 0.24 0.00 0.00 174.94 174.45 1a8m s ILE 155 N -0.98 -0.03 0.38 8.37 1.10 -1.06 -1.99 121.20 126.99 1a8m s ILE 155 Ca -0.06 0.10 -0.24 0.00 -0.51 0.00 0.00 60.65 59.94 1a8m s ILE 155 Cb -0.07 -0.05 -0.10 0.00 0.15 0.00 0.00 42.46 42.39 1a8m s ILE 155 CO 0.00 0.04 1.00 0.00 -2.11 0.00 0.00 174.94 173.87 1a8m s ALA 156 N 0.51 3.12 0.00 1.50 0.00 -0.76 -2.42 121.76 123.70 1a8m s ALA 156 Ca -0.04 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1a8m s ALA 156 Cb -0.06 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1a8m s ALA 156 CO -0.01 -0.03 0.21 1.28 0.00 0.00 0.00 175.76 177.21