#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8m s THR 7 N 0.00 -0.79 1.21 8.89 2.01 -1.26 -5.19 115.64 120.50 1a8m s THR 7 Ca 0.00 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 1a8m s THR 7 Cb 0.00 -1.00 0.30 0.00 0.01 0.00 0.00 72.50 71.81 1a8m s THR 7 CO 0.00 0.00 1.10 -2.65 -0.69 0.00 0.00 174.62 172.38 1a8m n PRO 8 N 5.22 -3.01 -1.27 4.92 -0.02 -1.26 -5.02 135.00 134.56 1a8m n PRO 8 Ca -0.12 -1.76 0.00 0.00 -2.02 0.00 0.00 63.50 59.60 1a8m n PRO 8 Cb 0.51 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1a8m n PRO 8 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1a8m n SER 9 N -4.79 -3.57 -0.15 2.55 7.64 -1.26 -4.85 113.62 109.19 1a8m n SER 9 Ca 0.15 0.67 -0.08 0.00 1.01 0.00 0.00 58.87 60.61 1a8m n SER 9 Cb 0.58 -3.01 0.00 0.00 -1.01 0.00 0.00 64.21 60.77 1a8m n SER 9 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1a8m h ASP 10 N 0.64 0.58 -2.90 6.43 3.58 -2.00 -3.46 116.42 119.29 1a8m h ASP 10 Ca 0.00 -0.14 -0.52 0.00 0.42 0.00 0.00 57.03 56.79 1a8m h ASP 10 Cb 0.22 -0.15 0.05 0.00 1.72 0.00 0.00 39.33 41.17 1a8m h ASP 10 CO 0.00 0.55 0.88 -0.54 -2.88 0.00 0.00 179.24 177.26 1a8m s LYS 11 N -5.67 4.20 0.26 0.28 -0.14 -1.26 -4.83 119.74 112.58 1a8m s LYS 11 Ca -0.13 2.40 -0.30 0.00 -1.36 0.00 0.00 55.97 56.57 1a8m s LYS 11 Cb 0.11 -3.13 -0.11 0.00 -1.68 0.00 0.00 37.83 33.02 1a8m s LYS 11 CO 0.75 -0.60 1.55 -1.25 -0.76 0.00 0.00 175.35 175.04 1a8m s PRO 12 N 0.86 4.18 0.28 -1.68 0.04 -1.26 -4.68 135.00 132.73 1a8m s PRO 12 Ca 0.69 2.47 0.02 0.00 0.04 0.00 0.00 61.00 64.22 1a8m s PRO 12 Cb -0.44 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 1a8m s PRO 12 CO 0.34 -0.57 0.26 0.14 0.04 0.00 0.00 177.00 177.20 1a8m s VAL 13 N 0.22 0.00 0.09 -0.36 -7.23 -1.26 -1.14 120.40 110.73 1a8m s VAL 13 Ca 0.64 -1.91 -0.26 0.00 -1.81 0.00 0.00 61.98 58.64 1a8m s VAL 13 Cb -0.46 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.06 1a8m s VAL 13 CO 0.43 0.00 0.78 0.00 -0.31 0.00 0.00 175.10 176.00 1a8m s ALA 14 N -3.70 -1.68 -0.37 1.32 0.00 0.15 -2.67 121.76 114.80 1a8m s ALA 14 Ca 0.38 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1a8m s ALA 14 Cb 0.04 0.64 0.20 0.00 0.00 0.00 0.00 23.12 24.00 1a8m s ALA 14 CO 0.20 -0.78 1.01 -1.58 0.00 0.00 0.00 175.76 174.60 1a8m s HIS 15 N -3.42 -0.62 0.09 0.00 5.04 -0.96 -2.30 115.29 113.12 1a8m s HIS 15 Ca 0.05 -0.15 -0.01 0.00 -1.54 0.00 0.00 55.06 53.41 1a8m s HIS 15 Cb -0.01 0.12 0.02 0.00 0.04 0.00 0.00 32.58 32.75 1a8m s HIS 15 CO -0.08 -0.47 0.13 1.33 -2.34 0.00 0.00 174.74 173.30 1a8m n VAL 16 N 2.91 0.00 -3.53 0.89 0.24 -1.06 -1.77 118.33 116.02 1a8m n VAL 16 Ca 0.12 -0.12 -0.17 0.00 -2.04 0.00 0.00 64.34 62.14 1a8m n VAL 16 Cb 0.63 -1.79 -0.06 0.00 -1.47 0.00 0.00 33.84 31.15 1a8m n VAL 16 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1a8m s VAL 17 N -1.00 0.01 0.52 3.34 0.11 0.50 -3.64 120.40 120.23 1a8m s VAL 17 Ca 0.07 -0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 58.85 1a8m s VAL 17 Cb -0.00 -0.98 -0.06 0.00 -1.53 0.00 0.00 36.38 33.82 1a8m s VAL 17 CO 0.05 -0.03 1.33 0.00 -3.33 0.00 0.00 175.10 173.12 1a8m s ALA 18 N -1.65 2.90 -0.30 1.54 0.00 -0.84 -0.09 121.76 123.31 1a8m s ALA 18 Ca -0.09 1.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 1a8m s ALA 18 Cb -0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1a8m s ALA 18 CO 0.06 -1.22 0.40 1.21 0.00 0.00 0.00 175.76 176.21 1a8m s ASN 19 N -0.98 6.25 0.00 0.00 2.47 0.66 -4.87 114.94 118.47 1a8m s ASN 19 Ca 0.69 0.11 0.00 0.00 0.42 0.00 0.00 52.86 54.07 1a8m s ASN 19 Cb -0.39 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 1a8m s ASN 19 CO 0.46 -0.28 1.45 -2.65 -3.72 0.00 0.00 177.10 172.37 1a8m n PRO 20 N 5.43 0.85 0.00 0.43 -0.02 -1.26 -2.68 135.00 137.75 1a8m n PRO 20 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1a8m n PRO 20 Cb 0.50 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 1a8m n PRO 20 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1a8m n GLN 21 N 1.28 1.90 -1.99 -0.52 -0.06 -1.26 -5.03 117.38 111.70 1a8m n GLN 21 Ca 0.00 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.58 1a8m n GLN 21 Cb 0.43 -0.71 -0.03 0.00 -4.06 0.00 0.00 30.24 25.86 1a8m n GLN 21 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1a8m s ALA 22 N -1.37 3.62 -0.65 1.69 0.00 -1.09 -4.90 121.76 119.06 1a8m s ALA 22 Ca 0.00 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.65 1a8m s ALA 22 Cb 0.00 -3.74 0.03 0.00 0.00 0.00 0.00 23.12 19.40 1a8m s ALA 22 CO 0.00 -1.38 1.26 -1.21 0.00 0.00 0.00 175.76 174.42 1a8m s GLU 23 N 3.96 3.34 -0.49 0.00 2.02 -1.26 -4.15 118.70 122.13 1a8m s GLU 23 Ca 0.74 0.04 -0.00 0.00 0.02 0.00 0.00 54.97 55.77 1a8m s GLU 23 Cb -0.34 -4.10 -0.00 0.00 0.10 0.00 0.00 34.13 29.79 1a8m s GLU 23 CO 0.30 -1.93 0.41 0.41 0.02 0.00 0.00 175.26 174.47 1a8m n GLY 24 N 5.23 0.11 3.57 -1.39 0.00 -1.26 -5.06 105.19 106.39 1a8m n GLY 24 Ca 0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.53 0.45 -0.36 1.61 -2.07 -1.26 -4.82 119.66 108.69 1a8m s GLN 25 Ca 0.00 -0.16 -0.12 0.00 -1.82 0.00 0.00 55.36 53.26 1a8m s GLN 25 Cb -0.00 0.21 0.01 0.00 -1.09 0.00 0.00 33.01 32.14 1a8m s GLN 25 CO 0.30 -0.20 0.22 -1.17 -1.32 0.00 0.00 175.29 173.12 1a8m s LEU 26 N -2.25 4.61 -0.20 2.60 2.96 -1.26 -4.81 118.68 120.34 1a8m s LEU 26 Ca 0.08 -0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 1a8m s LEU 26 Cb -0.01 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 1a8m s LEU 26 CO -0.06 -0.32 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.47 1a8m s GLN 27 N 1.64 3.32 0.54 1.98 -1.52 -1.26 -5.03 119.66 119.32 1a8m s GLN 27 Ca 0.04 -0.67 -0.05 0.00 -1.95 0.00 0.00 55.36 52.74 1a8m s GLN 27 Cb -0.18 -2.87 -0.01 0.00 -0.22 0.00 0.00 33.01 29.73 1a8m s GLN 27 CO 0.08 -0.12 0.83 -1.58 -0.25 0.00 0.00 175.29 174.25 1a8m s TRP 28 N 1.24 3.34 -0.07 0.91 0.23 -1.26 -0.25 118.94 123.08 1a8m s TRP 28 Ca 0.03 0.62 -0.18 0.00 -2.03 0.00 0.00 56.10 54.54 1a8m s TRP 28 Cb -0.14 -2.54 0.04 0.00 0.03 0.00 0.00 33.47 30.86 1a8m s TRP 28 CO -0.03 -0.59 0.43 -0.51 0.96 0.00 0.00 176.95 177.20 1a8m s LEU 29 N -4.85 0.38 -0.26 2.99 1.43 0.87 -4.79 118.68 114.46 1a8m s LEU 29 Ca 0.51 0.48 0.11 0.00 -1.03 0.00 0.00 54.13 54.20 1a8m s LEU 29 Cb -0.10 1.59 0.48 0.00 0.03 0.00 0.00 46.19 48.19 1a8m s LEU 29 CO 0.44 -0.38 1.39 -0.46 0.23 0.00 0.00 176.35 177.57 1a8m n ASN 30 N 1.75 2.42 0.00 2.29 6.94 -1.26 -0.37 115.26 127.03 1a8m n ASN 30 Ca -0.18 -3.70 0.00 0.00 -0.02 0.00 0.00 54.58 50.67 1a8m n ASN 30 Cb 0.56 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 1a8m n ASN 30 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1a8m n ASP 31 N -1.09 0.38 -4.62 0.53 5.68 -1.25 -4.60 116.55 111.59 1a8m n ASP 31 Ca 0.28 -0.84 -0.28 0.00 -0.50 0.00 0.00 54.79 53.46 1a8m n ASP 31 Cb 0.93 0.11 -0.11 0.00 -1.14 0.00 0.00 41.12 40.91 1a8m n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a8m s ARG 32 N -0.11 1.95 3.02 0.11 1.70 -1.26 -4.92 118.95 119.45 1a8m s ARG 32 Ca 0.00 -2.11 0.00 0.00 -0.47 0.00 0.00 55.73 53.15 1a8m s ARG 32 Cb 0.00 -1.62 0.00 0.00 -0.57 0.00 0.00 34.95 32.76 1a8m s ARG 32 CO 0.00 -0.06 0.00 0.00 -1.08 0.00 0.00 175.30 174.16 1a8m n ALA 33 N -0.96 0.00 -1.74 7.88 0.00 -1.26 0.06 120.51 124.48 1a8m n ALA 33 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1a8m n ALA 33 Cb 0.67 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.17 1a8m n ALA 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a8m n ASN 34 N 0.59 6.31 -3.99 0.00 3.02 -1.26 -4.97 115.26 114.95 1a8m n ASN 34 Ca 0.00 -3.77 -0.32 0.00 -0.03 0.00 0.00 54.58 50.46 1a8m n ASN 34 Cb 0.00 -0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 38.38 1a8m n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a8m n ALA 35 N -0.78 0.91 -0.79 5.41 0.00 0.11 -4.82 120.51 120.55 1a8m n ALA 35 Ca 0.53 -2.61 -0.31 0.00 0.00 0.00 0.00 53.44 51.04 1a8m n ALA 35 Cb 0.76 -3.57 0.16 0.00 0.00 0.00 0.00 19.45 16.80 1a8m n ALA 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a8m s LEU 36 N 7.42 2.90 -0.44 0.00 1.43 -0.73 -3.91 118.68 125.36 1a8m s LEU 36 Ca 0.73 2.19 0.06 0.00 -1.03 0.00 0.00 54.13 56.07 1a8m s LEU 36 Cb 0.06 -4.57 0.31 0.00 0.03 0.00 0.00 46.19 42.02 1a8m s LEU 36 CO 0.25 -2.97 1.12 -0.11 0.23 0.00 0.00 176.35 174.88 1a8m n LEU 37 N -4.06 -2.26 0.00 1.79 -0.00 -1.26 -2.27 117.00 108.94 1a8m n LEU 37 Ca 0.12 -3.36 0.00 0.00 -0.00 0.00 0.00 56.01 52.77 1a8m n LEU 37 Cb 0.52 0.92 0.00 0.00 -0.00 0.00 0.00 43.42 44.86 1a8m n LEU 37 CO 0.49 1.99 0.00 0.00 -0.00 0.00 0.00 177.39 179.88 1a8m n ALA 38 N 0.61 0.00 -0.35 1.96 0.00 -1.09 -4.77 120.51 116.87 1a8m n ALA 38 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1a8m n ALA 38 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1a8m n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a8m n ASN 39 N 0.00 -0.32 0.00 0.00 4.13 -1.26 -2.38 115.26 115.43 1a8m n ASN 39 Ca 0.00 -0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.07 1a8m n ASN 39 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1a8m n ASN 39 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a8m n GLY 40 N 1.27 0.70 3.83 7.41 0.00 -1.26 -4.09 105.19 113.05 1a8m n GLY 40 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1a8m n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a8m s VAL 41 N -2.69 4.35 -0.24 1.61 1.01 -1.00 -3.62 120.40 119.82 1a8m s VAL 41 Ca 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 1a8m s VAL 41 Cb 0.00 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1a8m s VAL 41 CO 0.00 -0.65 0.15 -1.61 0.00 0.00 0.00 175.10 172.99 1a8m s GLU 42 N -4.09 0.17 -0.19 2.72 8.01 -1.09 -4.81 118.70 119.42 1a8m s GLU 42 Ca 0.60 -0.25 -0.29 0.00 0.01 0.00 0.00 54.97 55.04 1a8m s GLU 42 Cb -0.11 -1.30 -0.03 0.00 -4.31 0.00 0.00 34.13 28.37 1a8m s GLU 42 CO 0.33 -0.87 1.67 -1.17 0.01 0.00 0.00 175.26 175.23 1a8m s LEU 43 N 2.18 3.95 0.00 1.80 2.96 -1.26 -0.67 118.68 127.64 1a8m s LEU 43 Ca 0.07 1.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1a8m s LEU 43 Cb -0.16 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1a8m s LEU 43 CO -0.25 -1.25 0.00 0.54 -1.32 0.00 0.00 176.35 174.08 1a8m n ARG 44 N 7.65 0.00 -0.70 1.98 5.12 -0.13 -4.86 116.66 125.72 1a8m n ARG 44 Ca 0.19 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.05 1a8m n ARG 44 Cb 0.45 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.71 1a8m n ARG 44 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1a8m n ASP 45 N 0.00 5.50 0.00 0.55 -0.08 -1.26 -4.35 116.55 116.90 1a8m n ASP 45 Ca 0.00 -2.53 0.00 0.00 -1.51 0.00 0.00 54.79 50.75 1a8m n ASP 45 Cb 0.00 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.26 1a8m n ASP 45 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1a8m n ASN 46 N 1.58 -0.98 -3.65 1.67 4.05 -1.26 -5.07 115.26 111.61 1a8m n ASN 46 Ca 0.16 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 55.04 1a8m n ASN 46 Cb 0.61 -0.39 -0.08 0.00 1.23 0.00 0.00 39.78 41.15 1a8m n ASN 46 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1a8m s GLN 47 N -3.11 0.77 -0.17 1.20 -0.21 -1.26 -4.79 119.66 112.09 1a8m s GLN 47 Ca 0.00 0.52 -0.29 0.00 0.02 0.00 0.00 55.36 55.61 1a8m s GLN 47 Cb 0.00 0.37 -0.02 0.00 1.00 0.00 0.00 33.01 34.36 1a8m s GLN 47 CO 0.00 -0.16 1.37 -0.51 -2.12 0.00 0.00 175.29 173.87 1a8m s LEU 48 N -0.30 4.14 -0.01 2.90 1.43 -1.08 -0.96 118.68 124.79 1a8m s LEU 48 Ca -0.05 1.72 -0.24 0.00 -1.03 0.00 0.00 54.13 54.53 1a8m s LEU 48 Cb -0.03 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 1a8m s LEU 48 CO 0.04 -0.88 0.73 -0.69 0.23 0.00 0.00 176.35 175.77 1a8m s VAL 49 N 3.87 4.90 -0.07 -1.59 1.01 0.16 -1.66 120.40 127.02 1a8m s VAL 49 Ca 0.60 1.52 -0.27 0.00 0.00 0.00 0.00 61.98 63.83 1a8m s VAL 49 Cb -0.23 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1a8m s VAL 49 CO 0.20 0.31 0.86 -0.69 0.00 0.00 0.00 175.10 175.78 1a8m s VAL 50 N 0.35 4.92 0.04 2.92 1.01 0.32 -2.68 120.40 127.28 1a8m s VAL 50 Ca 0.38 1.77 -0.23 0.00 0.00 0.00 0.00 61.98 63.90 1a8m s VAL 50 Cb -0.19 -4.19 -0.15 0.00 0.00 0.00 0.00 36.38 31.85 1a8m s VAL 50 CO 0.20 0.14 1.48 1.55 0.00 0.00 0.00 175.10 178.47 1a8m h PRO 51 N 6.93 0.16 -3.52 2.72 0.13 -1.86 0.64 132.00 137.20 1a8m h PRO 51 Ca -0.37 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1a8m h PRO 51 Cb 1.19 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1a8m h PRO 51 CO 0.78 0.41 0.04 -1.12 -0.23 0.00 0.00 178.00 177.89 1a8m s SER 52 N -5.65 0.35 1.25 1.44 0.01 -1.26 -4.55 113.70 105.28 1a8m s SER 52 Ca -0.14 -1.23 -0.18 0.00 1.31 0.00 0.00 55.95 55.71 1a8m s SER 52 Cb 0.05 0.74 0.27 0.00 0.21 0.00 0.00 66.02 67.29 1a8m s SER 52 CO 0.70 -1.46 0.67 -0.62 0.41 0.00 0.00 173.24 172.94 1a8m n GLU 53 N -0.52 -3.08 0.00 12.44 1.02 -1.26 -4.38 120.64 124.85 1a8m n GLU 53 Ca -0.04 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 1a8m n GLU 53 Cb 0.61 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1a8m n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a8m n GLY 54 N 1.70 2.46 3.68 0.62 0.00 -1.11 -4.89 105.19 107.65 1a8m n GLY 54 Ca 0.06 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 4.20 0.24 0.99 1.02 -1.26 -1.53 118.68 122.35 1a8m s LEU 55 Ca 0.00 1.45 0.10 0.00 0.02 0.00 0.00 54.13 55.71 1a8m s LEU 55 Cb 0.00 -3.51 -0.05 0.00 0.02 0.00 0.00 46.19 42.65 1a8m s LEU 55 CO 0.00 -0.50 -0.12 -0.31 0.02 0.00 0.00 176.35 175.45 1a8m s TYR 56 N 2.32 2.51 -0.52 0.29 1.51 0.79 -0.94 117.35 123.30 1a8m s TYR 56 Ca 0.46 -0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 56.21 1a8m s TYR 56 Cb -0.17 -1.15 0.14 0.00 -0.11 0.00 0.00 41.96 40.67 1a8m s TYR 56 CO 0.14 0.61 0.34 -1.17 -1.11 0.00 0.00 175.55 174.36 1a8m s LEU 57 N -3.30 5.34 -0.21 -1.29 2.96 -0.77 -1.70 118.68 119.71 1a8m s LEU 57 Ca 0.28 -2.40 -0.23 0.00 -0.22 0.00 0.00 54.13 51.56 1a8m s LEU 57 Cb -0.07 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1a8m s LEU 57 CO 0.16 -0.48 0.72 -0.63 -1.32 0.00 0.00 176.35 174.80 1a8m s ILE 58 N 0.61 4.94 0.05 6.68 1.01 -0.82 -3.17 121.20 130.49 1a8m s ILE 58 Ca 0.12 1.37 0.01 0.00 0.00 0.00 0.00 60.65 62.15 1a8m s ILE 58 Cb -0.22 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1a8m s ILE 58 CO -0.04 0.03 -0.05 -0.72 0.00 0.00 0.00 174.94 174.16 1a8m s TYR 59 N 2.32 0.56 0.06 3.97 -0.85 -0.78 -0.85 117.35 121.79 1a8m s TYR 59 Ca 0.32 -0.73 -0.27 0.00 -0.52 0.00 0.00 57.07 55.87 1a8m s TYR 59 Cb -0.16 -0.36 0.09 0.00 0.38 0.00 0.00 41.96 41.91 1a8m s TYR 59 CO 0.10 -0.20 0.80 0.45 -1.52 0.00 0.00 175.55 175.18 1a8m s SER 60 N -2.16 -0.41 -0.18 -0.18 0.15 -0.50 -0.99 113.70 109.44 1a8m s SER 60 Ca -0.03 -0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 1a8m s SER 60 Cb -0.03 0.46 0.06 0.00 -1.71 0.00 0.00 66.02 64.80 1a8m s SER 60 CO -0.04 -0.76 0.46 -1.58 1.20 0.00 0.00 173.24 172.52 1a8m s GLN 61 N -3.34 0.48 0.14 5.44 0.74 -0.60 -2.72 119.66 119.80 1a8m s GLN 61 Ca 0.04 0.77 0.10 0.00 0.05 0.00 0.00 55.36 56.33 1a8m s GLN 61 Cb -0.01 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.16 1a8m s GLN 61 CO -0.09 -0.12 -0.24 0.08 -0.55 0.00 0.00 175.29 174.37 1a8m s VAL 62 N 0.99 2.08 0.11 1.34 1.01 -0.53 -1.83 120.40 123.57 1a8m s VAL 62 Ca -0.06 -1.77 0.10 0.00 0.00 0.00 0.00 61.98 60.25 1a8m s VAL 62 Cb -0.06 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1a8m s VAL 62 CO -0.08 -0.03 -0.26 -0.76 0.00 0.00 0.00 175.10 173.97 1a8m s LEU 63 N -2.19 2.28 0.05 3.92 1.43 -1.26 -0.68 118.68 122.24 1a8m s LEU 63 Ca 0.13 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 1a8m s LEU 63 Cb -0.09 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 1a8m s LEU 63 CO 0.06 0.18 -0.12 -0.36 0.23 0.00 0.00 176.35 176.35 1a8m s PHE 64 N -1.02 0.99 0.00 0.29 0.08 0.13 -2.38 117.98 116.08 1a8m s PHE 64 Ca 0.12 -0.45 -0.14 0.00 0.12 0.00 0.00 56.93 56.58 1a8m s PHE 64 Cb -0.10 -0.57 0.02 0.00 -0.57 0.00 0.00 43.02 41.80 1a8m s PHE 64 CO 0.05 0.00 0.31 0.21 -0.10 0.00 0.00 175.22 175.69 1a8m s LYS 65 N -1.55 0.71 0.19 0.44 2.20 -0.36 -0.77 119.74 120.60 1a8m s LYS 65 Ca -0.04 -0.29 -0.14 0.00 -0.36 0.00 0.00 55.97 55.14 1a8m s LYS 65 Cb -0.09 0.31 0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1a8m s LYS 65 CO 0.01 -0.21 0.68 0.41 -0.36 0.00 0.00 175.35 175.89 1a8m n GLY 66 N 1.07 0.97 2.66 5.54 0.00 -1.10 -4.74 105.19 109.59 1a8m n GLY 66 Ca -0.21 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 1a8m n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a8m s GLN 67 N -2.05 0.13 0.19 1.61 -0.21 -1.26 -1.12 119.66 116.95 1a8m s GLN 67 Ca 0.15 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.51 1a8m s GLN 67 Cb -0.03 -1.52 0.00 0.00 1.00 0.00 0.00 33.01 32.47 1a8m s GLN 67 CO 0.06 -0.71 0.00 0.41 -2.12 0.00 0.00 175.29 172.93 1a8m n GLY 68 N 5.29 -2.94 3.59 3.09 0.00 -0.26 -4.13 105.19 109.84 1a8m n GLY 68 Ca -0.06 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 1a8m n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8m n PRO 70 N 3.49 0.00 -1.61 0.00 -0.04 -1.26 -4.06 135.00 131.52 1a8m n PRO 70 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 1a8m n PRO 70 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 1a8m n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a8m n SER 71 N 0.00 3.49 0.00 3.54 2.88 -1.26 -4.77 113.62 117.51 1a8m n SER 71 Ca 0.00 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1a8m n SER 71 Cb 0.00 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.91 1a8m n SER 71 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1a8m n THR 72 N 7.17 0.00 -3.75 2.46 -2.24 -1.26 -4.13 114.28 112.52 1a8m n THR 72 Ca 0.27 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.82 1a8m n THR 72 Cb 0.44 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.49 1a8m n THR 72 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1a8m s HIS 73 N -2.40 0.62 -0.01 4.78 3.76 -1.26 -4.28 115.29 116.51 1a8m s HIS 73 Ca 0.00 -0.19 -0.00 0.00 -0.15 0.00 0.00 55.06 54.72 1a8m s HIS 73 Cb 0.00 -0.79 -0.00 0.00 1.11 0.00 0.00 32.58 32.90 1a8m s HIS 73 CO 0.00 -0.34 -0.00 0.28 -0.85 0.00 0.00 174.74 173.82 1a8m h VAL 74 N 6.36 0.00 -4.32 -0.90 2.07 -1.82 -3.51 116.25 114.13 1a8m h VAL 74 Ca -0.18 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1a8m h VAL 74 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1a8m h VAL 74 CO 0.26 0.00 -0.32 0.18 0.02 0.00 0.00 177.57 177.70 1a8m n LEU 75 N -2.23 -5.48 -4.73 2.57 4.77 -1.26 -5.00 117.00 105.64 1a8m n LEU 75 Ca -0.00 0.37 -0.40 0.00 -0.03 0.00 0.00 56.01 55.95 1a8m n LEU 75 Cb 0.01 -2.40 -0.05 0.00 -2.33 0.00 0.00 43.42 38.65 1a8m n LEU 75 CO 0.00 -1.43 0.46 -0.76 -1.33 0.00 0.00 177.39 174.33 1a8m s LEU 76 N -1.83 4.39 0.10 2.23 2.01 0.17 -4.88 118.68 120.87 1a8m s LEU 76 Ca 0.13 1.37 0.06 0.00 0.01 0.00 0.00 54.13 55.70 1a8m s LEU 76 Cb -0.04 -3.21 -0.03 0.00 0.01 0.00 0.00 46.19 42.92 1a8m s LEU 76 CO 0.45 -0.07 -0.15 0.42 1.01 0.00 0.00 176.35 178.01 1a8m s THR 77 N 0.39 1.30 -0.05 5.49 -4.23 -1.26 -0.83 115.64 116.46 1a8m s THR 77 Ca 0.40 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.35 1a8m s THR 77 Cb -0.19 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.31 1a8m s THR 77 CO 0.22 -0.30 0.04 -2.28 -0.54 0.00 0.00 174.62 171.75 1a8m s HIS 78 N -1.68 0.30 -0.03 3.99 2.46 0.06 -3.39 115.29 117.00 1a8m s HIS 78 Ca 0.05 0.08 0.01 0.00 0.47 0.00 0.00 55.06 55.67 1a8m s HIS 78 Cb -0.07 -0.60 0.02 0.00 -0.13 0.00 0.00 32.58 31.79 1a8m s HIS 78 CO 0.03 -0.24 -0.04 0.95 -2.47 0.00 0.00 174.74 172.97 1a8m s THR 79 N 2.05 0.41 -0.32 0.89 -4.23 -0.99 -1.12 115.64 112.33 1a8m s THR 79 Ca 0.04 -0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.37 1a8m s THR 79 Cb -0.12 -0.43 0.01 0.00 1.34 0.00 0.00 72.50 73.30 1a8m s THR 79 CO -0.04 0.17 0.13 -0.63 -0.54 0.00 0.00 174.62 173.72 1a8m s ILE 80 N 0.64 4.31 -0.06 2.99 1.01 -0.38 -1.37 121.20 128.33 1a8m s ILE 80 Ca -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 59.96 1a8m s ILE 80 Cb -0.11 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1a8m s ILE 80 CO -0.00 0.00 -0.13 -0.94 0.00 0.00 0.00 174.94 173.87 1a8m s SER 81 N 1.55 4.10 -0.11 3.58 1.04 -0.46 -0.72 113.70 122.67 1a8m s SER 81 Ca 0.03 -0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 1a8m s SER 81 Cb -0.18 -0.96 -0.05 0.00 0.10 0.00 0.00 66.02 64.94 1a8m s SER 81 CO 0.05 0.33 0.26 -0.60 0.98 0.00 0.00 173.24 174.26 1a8m s ARG 82 N -0.64 3.90 -0.74 4.02 3.52 -0.20 -2.09 118.95 126.72 1a8m s ARG 82 Ca 0.09 0.08 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 1a8m s ARG 82 Cb -0.11 -3.30 0.18 0.00 -1.56 0.00 0.00 34.95 30.16 1a8m s ARG 82 CO 0.01 0.54 0.55 -1.50 -0.81 0.00 0.00 175.30 174.09 1a8m s ILE 83 N -0.43 3.24 0.35 4.11 2.07 -0.78 0.08 121.20 129.84 1a8m s ILE 83 Ca 0.17 -4.15 -0.26 0.00 -1.41 0.00 0.00 60.65 55.01 1a8m s ILE 83 Cb -0.13 -3.10 -0.13 0.00 0.13 0.00 0.00 42.46 39.23 1a8m s ILE 83 CO 0.06 -1.02 0.90 0.00 -1.91 0.00 0.00 174.94 172.97 1a8m n ALA 84 N 2.10 -0.47 0.35 1.50 0.00 -1.23 -3.17 120.51 119.59 1a8m n ALA 84 Ca 0.20 0.30 0.14 0.00 0.00 0.00 0.00 53.44 54.07 1a8m n ALA 84 Cb 0.35 -1.97 0.58 0.00 0.00 0.00 0.00 19.45 18.41 1a8m n ALA 84 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1a8m h VAL 85 N 1.56 0.00 0.00 0.00 -1.51 -1.84 -2.81 116.25 111.65 1a8m h VAL 85 Ca -0.41 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1a8m h VAL 85 Cb 1.36 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1a8m h VAL 85 CO 0.57 0.00 -0.18 0.28 -1.23 0.00 0.00 177.57 177.02 1a8m h SER 86 N 0.00 0.00 -3.82 4.19 0.02 -1.95 -3.41 113.55 108.57 1a8m h SER 86 Ca 0.00 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 60.18 1a8m h SER 86 Cb 0.36 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.61 1a8m h SER 86 CO 0.00 0.39 0.06 -0.72 -1.14 0.00 0.00 176.83 175.42 1a8m s TYR 87 N -1.58 3.79 -0.98 3.45 -0.85 -1.20 -4.99 117.35 114.99 1a8m s TYR 87 Ca -0.05 -2.30 -0.24 0.00 -0.52 0.00 0.00 57.07 53.96 1a8m s TYR 87 Cb 0.01 -3.67 -0.05 0.00 0.38 0.00 0.00 41.96 38.62 1a8m s TYR 87 CO 0.08 -0.94 1.91 -0.65 -1.52 0.00 0.00 175.55 174.43 1a8m s GLN 88 N -0.21 2.63 -0.29 -3.49 -0.21 -1.06 -3.47 119.66 113.56 1a8m s GLN 88 Ca 0.20 -0.57 -0.21 0.00 0.02 0.00 0.00 55.36 54.81 1a8m s GLN 88 Cb -0.12 -5.13 0.14 0.00 1.00 0.00 0.00 33.01 28.90 1a8m s GLN 88 CO -0.08 -3.42 1.04 -0.08 -2.12 0.00 0.00 175.29 170.63 1a8m s THR 89 N 9.88 0.00 0.33 -0.19 -1.32 -1.26 -5.02 115.64 118.05 1a8m s THR 89 Ca 0.68 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.87 1a8m s THR 89 Cb -0.05 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.82 1a8m s THR 89 CO 0.02 0.00 1.34 0.29 -2.21 0.00 0.00 174.62 174.06 1a8m n LYS 90 N 2.87 2.20 -3.65 7.08 5.02 -1.26 -4.35 118.16 126.07 1a8m n LYS 90 Ca -0.15 0.77 -0.17 0.00 -2.02 0.00 0.00 58.31 56.74 1a8m n LYS 90 Cb 0.57 -2.39 -0.15 0.00 -0.02 0.00 0.00 35.03 33.04 1a8m n LYS 90 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a8m s VAL 91 N -0.87 -0.28 0.23 -0.18 1.01 0.11 -4.96 120.40 115.46 1a8m s VAL 91 Ca 0.58 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 1a8m s VAL 91 Cb -0.57 -0.36 -0.16 0.00 0.00 0.00 0.00 36.38 35.29 1a8m s VAL 91 CO 0.60 0.09 0.72 0.59 0.00 0.00 0.00 175.10 177.10 1a8m n ASN 92 N 5.33 -0.25 0.00 3.32 4.13 -1.26 -1.04 115.26 125.49 1a8m n ASN 92 Ca -0.05 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.36 1a8m n ASN 92 Cb 0.50 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 1a8m n ASN 92 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1a8m n LEU 93 N 1.71 0.99 -3.64 3.41 4.77 0.10 -4.76 117.00 119.57 1a8m n LEU 93 Ca 0.15 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1a8m n LEU 93 Cb 0.27 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1a8m n LEU 93 CO 0.58 0.16 0.49 -0.76 -1.33 0.00 0.00 177.39 176.53 1a8m s LEU 94 N -3.95 -0.75 0.02 2.23 1.43 -1.07 -4.99 118.68 111.60 1a8m s LEU 94 Ca 0.00 1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 54.35 1a8m s LEU 94 Cb 0.00 2.20 -0.02 0.00 0.03 0.00 0.00 46.19 48.40 1a8m s LEU 94 CO 0.00 -0.21 -0.00 -0.44 0.23 0.00 0.00 176.35 175.93 1a8m s SER 95 N 1.15 0.23 -0.17 2.29 0.01 -1.26 -1.25 113.70 114.70 1a8m s SER 95 Ca -0.06 -0.51 -0.13 0.00 1.31 0.00 0.00 55.95 56.55 1a8m s SER 95 Cb -0.05 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.36 1a8m s SER 95 CO -0.13 -0.35 0.44 0.00 0.41 0.00 0.00 173.24 173.61 1a8m s ALA 96 N -1.75 -1.11 -0.13 1.44 0.00 -0.28 -4.99 121.76 114.95 1a8m s ALA 96 Ca -0.13 1.40 0.03 0.00 0.00 0.00 0.00 51.96 53.26 1a8m s ALA 96 Cb -0.08 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.22 1a8m s ALA 96 CO -0.02 -0.24 -0.22 0.42 0.00 0.00 0.00 175.76 175.71 1a8m s ILE 97 N 0.73 2.16 0.21 0.00 1.01 -1.26 -0.76 121.20 123.29 1a8m s ILE 97 Ca -0.04 -0.96 0.11 0.00 0.00 0.00 0.00 60.65 59.77 1a8m s ILE 97 Cb -0.05 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1a8m s ILE 97 CO -0.05 0.55 -0.23 -0.54 0.00 0.00 0.00 174.94 174.67 1a8m s LYS 98 N 0.67 1.58 -0.23 2.79 1.02 -0.01 -4.99 119.74 120.57 1a8m s LYS 98 Ca -0.10 -1.57 -0.03 0.00 0.02 0.00 0.00 55.97 54.29 1a8m s LYS 98 Cb -0.16 -1.84 0.12 0.00 -0.52 0.00 0.00 37.83 35.42 1a8m s LYS 98 CO 0.02 0.39 0.30 0.45 -0.92 0.00 0.00 175.35 175.58 1a8m s SER 99 N -2.86 0.88 0.64 2.83 0.15 -1.26 -0.66 113.70 113.42 1a8m s SER 99 Ca 0.23 -0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.69 1a8m s SER 99 Cb -0.07 0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1a8m s SER 99 CO 0.11 -0.32 1.04 -2.16 1.20 0.00 0.00 173.24 173.11 1a8m s PRO 100 N 2.43 3.40 -0.23 5.44 0.04 -1.26 -4.68 135.00 140.14 1a8m s PRO 100 Ca 0.10 0.82 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 1a8m s PRO 100 Cb -0.15 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1a8m s PRO 100 CO -0.16 -0.73 0.01 0.00 0.04 0.00 0.00 177.00 176.16 1a8m s GLN 102 N -1.23 3.31 0.62 0.00 -1.52 -1.26 -4.62 119.66 114.96 1a8m s GLN 102 Ca -0.01 -0.68 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 1a8m s GLN 102 Cb 0.00 -4.55 0.00 0.00 -0.22 0.00 0.00 33.01 28.24 1a8m s GLN 102 CO 0.60 -2.08 0.00 0.54 -0.25 0.00 0.00 175.29 174.10 1a8m n ARG 103 N 8.77 0.00 0.00 2.91 1.74 -1.26 -4.78 116.66 124.04 1a8m n ARG 103 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1a8m n ARG 103 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1a8m n ARG 103 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1a8m n GLU 104 N 0.00 0.00 -3.00 5.56 -0.58 -1.26 -4.79 120.64 116.57 1a8m n GLU 104 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1a8m n GLU 104 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 1a8m n GLU 104 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1a8m n THR 105 N 0.00 -9.44 -2.14 2.62 -1.04 -1.26 -4.84 114.28 98.18 1a8m n THR 105 Ca 0.00 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.05 61.26 1a8m n THR 105 Cb 0.00 -6.65 -0.05 0.00 -1.82 0.00 0.00 70.33 61.82 1a8m n THR 105 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1a8m s PRO 106 N -3.28 2.74 0.09 -2.82 0.04 -1.26 -4.85 135.00 125.67 1a8m s PRO 106 Ca 0.09 -0.82 -0.22 0.00 0.04 0.00 0.00 61.00 60.09 1a8m s PRO 106 Cb -0.01 -5.19 -0.12 0.00 0.04 0.00 0.00 34.50 29.21 1a8m s PRO 106 CO 0.70 -3.41 1.72 1.49 0.04 0.00 0.00 177.00 177.54 1a8m h GLU 107 N 10.29 0.12 0.00 4.56 4.22 -1.90 -3.14 114.58 128.72 1a8m h GLU 107 Ca 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1a8m h GLU 107 Cb 0.97 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1a8m h GLU 107 CO 1.25 0.12 -0.35 0.41 -2.18 0.00 0.00 179.01 178.27 1a8m n GLY 108 N -1.00 -1.50 2.85 1.92 0.00 -1.26 -3.87 105.19 102.33 1a8m n GLY 108 Ca -0.06 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1a8m n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8m n ALA 109 N -1.74 6.35 -1.78 4.61 0.00 -1.19 -5.01 120.51 121.76 1a8m n ALA 109 Ca 0.05 -4.12 -0.41 0.00 0.00 0.00 0.00 53.44 48.96 1a8m n ALA 109 Cb 0.41 -1.82 -0.00 0.00 0.00 0.00 0.00 19.45 18.04 1a8m n ALA 109 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a8m s GLU 110 N -4.01 4.10 -0.95 0.00 2.02 -1.24 -2.18 118.70 116.44 1a8m s GLU 110 Ca 0.52 2.59 0.00 0.00 0.02 0.00 0.00 54.97 58.10 1a8m s GLU 110 Cb 0.44 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1a8m s GLU 110 CO -0.38 -0.56 0.00 0.00 0.02 0.00 0.00 175.26 174.34 1a8m n ALA 111 N 0.67 -0.14 -2.93 5.21 0.00 -1.26 -4.95 120.51 117.12 1a8m n ALA 111 Ca 0.02 0.15 -0.44 0.00 0.00 0.00 0.00 53.44 53.17 1a8m n ALA 111 Cb 0.39 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 1a8m n ALA 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1a8m s LYS 112 N -2.55 3.22 0.67 0.00 2.20 -0.93 -4.77 119.74 117.58 1a8m s LYS 112 Ca 0.00 -1.19 -0.17 0.00 -0.36 0.00 0.00 55.97 54.25 1a8m s LYS 112 Cb 0.00 -4.41 -0.02 0.00 -1.51 0.00 0.00 37.83 31.89 1a8m s LYS 112 CO 0.00 -1.74 0.98 -0.35 -0.36 0.00 0.00 175.35 173.88 1a8m n PRO 113 N 7.08 0.71 -4.21 4.03 -0.04 -1.26 -1.11 135.00 140.21 1a8m n PRO 113 Ca 0.02 0.29 -0.16 0.00 -0.04 0.00 0.00 63.50 63.61 1a8m n PRO 113 Cb 0.46 -2.21 -0.11 0.00 -0.04 0.00 0.00 33.50 31.59 1a8m n PRO 113 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1a8m s TRP 114 N -1.65 1.22 -0.03 0.54 1.48 -0.27 -4.79 118.94 115.43 1a8m s TRP 114 Ca 0.75 -0.62 0.02 0.00 -1.06 0.00 0.00 56.10 55.19 1a8m s TRP 114 Cb -0.38 -0.65 0.01 0.00 -1.16 0.00 0.00 33.47 31.30 1a8m s TRP 114 CO 0.48 0.07 -0.06 0.71 -4.06 0.00 0.00 176.95 174.08 1a8m s TYR 115 N -2.37 0.73 -0.23 1.66 2.02 -1.26 -2.69 117.35 115.21 1a8m s TYR 115 Ca 0.08 -0.18 -0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1a8m s TYR 115 Cb -0.03 -0.57 0.11 0.00 -0.40 0.00 0.00 41.96 41.06 1a8m s TYR 115 CO 0.01 -0.11 0.25 -1.21 -1.57 0.00 0.00 175.55 172.93 1a8m s GLU 116 N 0.42 0.24 0.50 -0.62 0.41 0.05 -4.99 118.70 114.71 1a8m s GLU 116 Ca -0.06 0.14 0.03 0.00 -0.41 0.00 0.00 54.97 54.68 1a8m s GLU 116 Cb -0.10 -0.99 0.02 0.00 -1.78 0.00 0.00 34.13 31.28 1a8m s GLU 116 CO 0.00 -0.75 0.69 -1.25 -0.49 0.00 0.00 175.26 173.46 1a8m s PRO 117 N 2.35 2.70 -0.24 0.39 0.04 -1.26 0.19 135.00 139.18 1a8m s PRO 117 Ca 0.08 -0.88 -0.05 0.00 0.04 0.00 0.00 61.00 60.18 1a8m s PRO 117 Cb -0.15 -2.58 0.12 0.00 0.04 0.00 0.00 34.50 31.92 1a8m s PRO 117 CO -0.18 -0.51 0.46 0.42 0.04 0.00 0.00 177.00 177.22 1a8m s ILE 118 N -2.60 -0.72 0.49 0.56 1.01 0.15 -4.95 121.20 115.13 1a8m s ILE 118 Ca 0.55 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.33 1a8m s ILE 118 Cb -0.10 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.60 1a8m s ILE 118 CO 0.37 0.00 0.43 -0.47 0.00 0.00 0.00 174.94 175.27 1a8m s TYR 119 N 2.66 2.10 0.00 3.97 5.04 -1.26 -1.45 117.35 128.40 1a8m s TYR 119 Ca 0.04 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 1a8m s TYR 119 Cb -0.13 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.11 1a8m s TYR 119 CO -0.15 -0.39 0.00 1.47 -1.34 0.00 0.00 175.55 175.14 1a8m n LEU 120 N -1.71 0.00 -3.65 6.97 -0.00 -1.10 -4.97 117.00 112.54 1a8m n LEU 120 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.01 1a8m n LEU 120 Cb 0.63 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.98 1a8m n LEU 120 CO 0.41 0.00 1.13 -0.83 -0.00 0.00 0.00 177.39 178.10 1a8m s GLY 121 N 0.00 0.33 0.24 1.47 0.00 -1.25 -1.41 107.32 106.70 1a8m s GLY 121 Ca 0.00 3.48 -0.11 0.00 0.00 0.00 0.00 44.72 48.08 1a8m s GLY 121 CO 0.00 1.95 0.43 -0.32 0.00 0.00 0.00 173.10 175.16 1a8m s GLY 122 N 0.06 0.62 -0.04 0.20 0.00 -0.03 -4.94 107.32 103.19 1a8m s GLY 122 Ca 0.07 -0.96 -0.15 0.00 0.00 0.00 0.00 44.72 43.69 1a8m s GLY 122 CO -0.15 -0.72 0.39 0.14 0.00 0.00 0.00 173.10 172.76 1a8m s VAL 123 N -4.03 5.11 0.09 1.40 1.01 -1.26 -1.95 120.40 120.77 1a8m s VAL 123 Ca 0.24 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 1a8m s VAL 123 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1a8m s VAL 123 CO 0.09 0.53 0.13 -0.36 0.00 0.00 0.00 175.10 175.48 1a8m s PHE 124 N -0.68 0.32 -0.73 5.22 0.40 -0.69 -4.96 117.98 116.87 1a8m s PHE 124 Ca 0.23 -0.77 -0.11 0.00 -0.60 0.00 0.00 56.93 55.68 1a8m s PHE 124 Cb -0.16 -0.18 0.19 0.00 0.51 0.00 0.00 43.02 43.38 1a8m s PHE 124 CO 0.11 -0.51 0.63 -1.14 0.70 0.00 0.00 175.22 175.01 1a8m s GLN 125 N -3.90 3.19 0.90 0.44 0.74 -1.26 -0.15 119.66 119.62 1a8m s GLN 125 Ca 0.07 -2.39 -0.14 0.00 0.05 0.00 0.00 55.36 52.96 1a8m s GLN 125 Cb 0.06 -4.19 0.16 0.00 1.10 0.00 0.00 33.01 30.14 1a8m s GLN 125 CO -0.09 -1.25 1.25 -0.51 -0.55 0.00 0.00 175.29 174.14 1a8m s LEU 126 N 0.27 2.68 0.00 3.68 1.43 -0.58 -4.89 118.68 121.27 1a8m s LEU 126 Ca 0.16 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1a8m s LEU 126 Cb -0.15 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 1a8m s LEU 126 CO -0.06 -2.42 0.06 -0.62 0.23 0.00 0.00 176.35 173.55 1a8m n GLU 127 N -3.56 0.70 -3.04 1.70 1.02 -1.26 -2.76 120.64 113.44 1a8m n GLU 127 Ca 0.13 -1.32 -0.35 0.00 -0.02 0.00 0.00 57.16 55.60 1a8m n GLU 127 Cb 0.60 0.77 -0.06 0.00 -0.02 0.00 0.00 31.44 32.73 1a8m n GLU 127 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1a8m s LYS 128 N -2.59 4.21 0.00 3.49 -2.85 -1.26 -3.55 119.74 117.19 1a8m s LYS 128 Ca 0.09 0.89 0.00 0.00 -1.00 0.00 0.00 55.97 55.95 1a8m s LYS 128 Cb 0.00 -2.64 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 1a8m s LYS 128 CO 0.06 0.25 0.00 0.41 0.10 0.00 0.00 175.35 176.18 1a8m n GLY 129 N 0.19 1.70 3.70 0.59 0.00 0.22 -4.73 105.19 106.87 1a8m n GLY 129 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.28 6.56 0.07 1.61 1.11 -1.23 -4.57 116.67 116.93 1a8m s ASP 130 Ca 0.00 2.60 -0.02 0.00 0.18 0.00 0.00 52.55 55.30 1a8m s ASP 130 Cb 0.00 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 1a8m s ASP 130 CO 0.00 -0.88 0.26 -0.13 1.18 0.00 0.00 175.17 175.60 1a8m s ARG 131 N 1.91 3.50 -0.11 8.23 0.52 -1.19 -0.52 118.95 131.29 1a8m s ARG 131 Ca 0.73 -0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 55.65 1a8m s ARG 131 Cb -0.43 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.07 1a8m s ARG 131 CO 0.32 0.58 -0.08 -0.51 0.02 0.00 0.00 175.30 175.63 1a8m s LEU 132 N -2.41 1.24 0.05 2.53 1.02 -0.66 -1.87 118.68 118.58 1a8m s LEU 132 Ca 0.35 -0.31 0.02 0.00 0.02 0.00 0.00 54.13 54.22 1a8m s LEU 132 Cb -0.13 -0.85 -0.04 0.00 0.02 0.00 0.00 46.19 45.20 1a8m s LEU 132 CO 0.25 -0.10 0.04 -0.44 0.02 0.00 0.00 176.35 176.12 1a8m s SER 133 N 1.61 5.35 -0.34 2.29 0.01 -0.89 -2.65 113.70 119.09 1a8m s SER 133 Ca 0.03 -0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 1a8m s SER 133 Cb -0.13 -1.41 0.11 0.00 0.21 0.00 0.00 66.02 64.80 1a8m s SER 133 CO -0.07 0.22 0.13 0.00 0.41 0.00 0.00 173.24 173.93 1a8m s ALA 134 N -1.26 1.58 0.01 1.44 0.00 -1.26 -1.35 121.76 120.92 1a8m s ALA 134 Ca 0.25 -1.84 0.08 0.00 0.00 0.00 0.00 51.96 50.46 1a8m s ALA 134 Cb -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1a8m s ALA 134 CO 0.17 -1.77 -0.26 -1.21 0.00 0.00 0.00 175.76 172.70 1a8m s GLU 135 N 1.37 1.96 0.30 0.00 2.02 -0.47 -4.97 118.70 118.91 1a8m s GLU 135 Ca 0.12 -1.02 0.04 0.00 0.02 0.00 0.00 54.97 54.13 1a8m s GLU 135 Cb -0.19 -2.02 0.05 0.00 0.10 0.00 0.00 34.13 32.07 1a8m s GLU 135 CO -0.19 0.54 0.41 0.44 0.02 0.00 0.00 175.26 176.47 1a8m n ILE 136 N 2.07 0.00 0.00 -1.63 -5.35 -1.26 -2.35 119.36 110.83 1a8m n ILE 136 Ca -0.16 -0.91 0.00 0.00 -0.27 0.00 0.00 62.75 61.41 1a8m n ILE 136 Cb 0.52 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 1a8m n ILE 136 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1a8m n ASN 137 N -2.73 2.17 -3.29 7.28 6.94 -1.22 -4.84 115.26 119.58 1a8m n ASN 137 Ca 0.08 -0.26 -0.25 0.00 -0.02 0.00 0.00 54.58 54.13 1a8m n ASN 137 Cb 0.29 0.95 -0.07 0.00 -2.36 0.00 0.00 39.78 38.59 1a8m n ASN 137 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1a8m n ARG 138 N -1.17 1.53 -0.17 -3.83 5.12 -1.26 -4.93 116.66 111.95 1a8m n ARG 138 Ca 0.00 -3.88 0.17 0.00 -1.93 0.00 0.00 57.85 52.21 1a8m n ARG 138 Cb 0.00 -1.68 0.53 0.00 -1.16 0.00 0.00 32.46 30.15 1a8m n ARG 138 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1a8m h PRO 139 N 4.07 0.35 0.00 5.56 0.11 -1.88 0.56 132.00 140.77 1a8m h PRO 139 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1a8m h PRO 139 Cb 0.78 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1a8m h PRO 139 CO 0.63 0.23 0.00 0.38 -0.21 0.00 0.00 178.00 179.03 1a8m h ASP 140 N 0.36 0.00 -0.51 -2.05 2.03 -1.92 0.14 116.42 114.48 1a8m h ASP 140 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 1a8m h ASP 140 Cb 0.96 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 1a8m h ASP 140 CO -0.12 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.87 1a8m n TYR 141 N -2.44 0.66 -2.69 4.15 4.01 0.20 -4.99 117.16 116.06 1a8m n TYR 141 Ca -0.01 -0.37 -0.39 0.00 -0.16 0.00 0.00 57.90 56.98 1a8m n TYR 141 Cb 0.11 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 1a8m n TYR 141 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1a8m s LEU 142 N -1.22 4.51 0.15 7.72 1.98 0.03 -1.23 118.68 130.62 1a8m s LEU 142 Ca 0.40 1.98 -0.14 0.00 -2.89 0.00 0.00 54.13 53.48 1a8m s LEU 142 Cb 0.22 -3.77 -0.07 0.00 0.66 0.00 0.00 46.19 43.23 1a8m s LEU 142 CO 0.30 -0.01 0.56 -0.62 -1.89 0.00 0.00 176.35 174.68 1a8m s ASP 143 N -1.28 6.83 0.00 3.68 -1.08 -1.00 -4.70 116.67 119.12 1a8m s ASP 143 Ca 0.46 1.09 0.00 0.00 -0.52 0.00 0.00 52.55 53.58 1a8m s ASP 143 Cb -0.25 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1a8m s ASP 143 CO 0.31 0.10 0.00 0.49 0.52 0.00 0.00 175.17 176.59 1a8m n PHE 144 N 0.80 0.00 1.53 -5.34 3.72 -1.26 -4.76 117.46 112.15 1a8m n PHE 144 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1a8m n PHE 144 Cb 0.52 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.08 1a8m n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a8m n ALA 145 N 0.00 2.27 -2.41 4.37 0.00 -1.26 -4.78 120.51 118.70 1a8m n ALA 145 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1a8m n ALA 145 Cb 0.24 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 1a8m n ALA 145 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a8m s GLU 146 N -2.00 1.41 0.00 0.00 0.41 -1.26 -5.09 118.70 112.17 1a8m s GLU 146 Ca 0.01 -1.57 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 1a8m s GLU 146 Cb 0.01 -1.38 0.00 0.00 -1.78 0.00 0.00 34.13 30.98 1a8m s GLU 146 CO 0.01 0.26 0.00 -1.13 -0.49 0.00 0.00 175.26 173.91 1a8m n SER 147 N -0.20 0.00 -4.03 -0.19 3.41 -1.26 -4.53 113.62 106.81 1a8m n SER 147 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 1a8m n SER 147 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1a8m n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a8m n GLY 148 N 2.62 3.88 0.45 5.00 0.00 -1.26 -4.11 105.19 111.77 1a8m n GLY 148 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1a8m n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1a8m n GLN 149 N 6.44 0.00 -3.88 1.61 7.27 -1.26 -5.05 117.38 122.51 1a8m n GLN 149 Ca 0.49 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 57.21 1a8m n GLN 149 Cb 0.41 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.93 1a8m n GLN 149 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1a8m s VAL 150 N -0.35 3.00 0.35 1.69 0.11 -1.25 -4.30 120.40 119.65 1a8m s VAL 150 Ca 0.00 -1.72 0.02 0.00 -2.93 0.00 0.00 61.98 57.35 1a8m s VAL 150 Cb 0.00 -2.89 -0.01 0.00 -1.53 0.00 0.00 36.38 31.95 1a8m s VAL 150 CO 0.00 -0.36 0.09 0.00 -3.33 0.00 0.00 175.10 171.50 1a8m n TYR 151 N 4.57 0.34 -3.27 1.54 0.18 -0.76 -1.98 117.16 117.77 1a8m n TYR 151 Ca -0.08 -2.08 0.03 0.00 1.88 0.00 0.00 57.90 57.65 1a8m n TYR 151 Cb 0.42 -0.08 -0.04 0.00 -0.38 0.00 0.00 39.34 39.27 1a8m n TYR 151 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1a8m s PHE 152 N -2.70 -0.29 0.13 -3.48 5.36 -1.24 -1.56 117.98 114.21 1a8m s PHE 152 Ca 0.12 0.50 -0.14 0.00 -0.96 0.00 0.00 56.93 56.45 1a8m s PHE 152 Cb 0.01 0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.88 1a8m s PHE 152 CO 0.09 -0.14 0.37 0.20 -1.46 0.00 0.00 175.22 174.27 1a8m s GLY 153 N 2.17 -0.10 0.18 13.12 0.00 -0.16 -2.58 107.32 119.95 1a8m s GLY 153 Ca -0.01 -0.26 0.10 0.00 0.00 0.00 0.00 44.72 44.55 1a8m s GLY 153 CO -0.17 -0.44 -0.20 -0.26 0.00 0.00 0.00 173.10 172.03 1a8m s ILE 154 N -3.84 2.04 -0.15 0.90 -4.36 -0.97 -1.86 121.20 112.96 1a8m s ILE 154 Ca 0.06 -1.98 -0.04 0.00 -0.26 0.00 0.00 60.65 58.43 1a8m s ILE 154 Cb 0.02 -1.96 0.07 0.00 1.25 0.00 0.00 42.46 41.84 1a8m s ILE 154 CO -0.09 -0.25 0.24 -0.51 0.24 0.00 0.00 174.94 174.57 1a8m s ILE 155 N -1.93 -0.37 0.07 8.37 2.07 -1.19 0.30 121.20 128.53 1a8m s ILE 155 Ca 0.18 0.17 -0.31 0.00 -1.41 0.00 0.00 60.65 59.28 1a8m s ILE 155 Cb -0.06 -0.50 -0.08 0.00 0.13 0.00 0.00 42.46 41.95 1a8m s ILE 155 CO 0.08 0.02 1.63 0.00 -1.91 0.00 0.00 174.94 174.76 1a8m s ALA 156 N 2.37 3.68 0.00 1.50 0.00 -0.29 -1.85 121.76 127.18 1a8m s ALA 156 Ca 0.04 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1a8m s ALA 156 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1a8m s ALA 156 CO -0.09 -1.06 0.00 1.47 0.00 0.00 0.00 175.76 176.07