#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 4.13 0.97 0.55 -4.23 -1.26 -5.09 115.64 110.71 1a8m s THR 7 Ca 0.00 -3.57 -0.15 0.00 -1.18 0.00 0.00 61.69 56.79 1a8m s THR 7 Cb 0.00 -3.60 0.18 0.00 1.34 0.00 0.00 72.50 70.42 1a8m s THR 7 CO 0.00 -1.02 1.21 -2.16 -0.54 0.00 0.00 174.62 172.11 1a8m s PRO 8 N -0.92 0.62 0.08 3.99 0.04 -1.26 -4.84 135.00 132.72 1a8m s PRO 8 Ca 0.24 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1a8m s PRO 8 Cb -0.11 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1a8m s PRO 8 CO -0.10 -2.48 0.00 0.43 0.04 0.00 0.00 177.00 174.89 1a8m n SER 9 N -3.89 -6.07 0.00 6.66 7.64 -1.26 -5.06 113.62 111.64 1a8m n SER 9 Ca 0.11 1.41 0.00 0.00 1.01 0.00 0.00 58.87 61.40 1a8m n SER 9 Cb 0.60 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 1a8m n SER 9 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1a8m n ASP 10 N 1.86 0.00 -0.23 6.43 5.75 -1.26 -5.07 116.55 124.03 1a8m n ASP 10 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1a8m n ASP 10 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1a8m n ASP 10 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1a8m n LYS 11 N 0.00 -0.64 -1.59 0.11 5.02 -1.26 -4.86 118.16 114.93 1a8m n LYS 11 Ca 0.00 0.47 -0.45 0.00 -2.02 0.00 0.00 58.31 56.30 1a8m n LYS 11 Cb 0.00 -0.52 -0.02 0.00 -0.02 0.00 0.00 35.03 34.47 1a8m n LYS 11 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1a8m n PRO 12 N -0.53 1.36 -3.71 1.97 -0.02 -1.26 -4.69 135.00 128.12 1a8m n PRO 12 Ca 0.00 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1a8m n PRO 12 Cb 0.00 -1.90 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 1a8m n PRO 12 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a8m s VAL 13 N -0.79 -0.00 -0.24 -1.45 0.11 -0.95 -0.99 120.40 116.08 1a8m s VAL 13 Ca 0.62 0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 59.49 1a8m s VAL 13 Cb -0.73 -0.67 0.06 0.00 -1.53 0.00 0.00 36.38 33.51 1a8m s VAL 13 CO 0.57 0.00 0.62 0.00 -3.33 0.00 0.00 175.10 172.97 1a8m s ALA 14 N 0.41 -1.58 -0.33 1.54 0.00 -0.88 -1.45 121.76 119.48 1a8m s ALA 14 Ca -0.01 1.89 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 1a8m s ALA 14 Cb -0.04 -1.10 0.13 0.00 0.00 0.00 0.00 23.12 22.11 1a8m s ALA 14 CO -0.01 -0.31 0.22 -1.58 0.00 0.00 0.00 175.76 174.07 1a8m s HIS 15 N 0.68 0.37 -0.14 0.00 2.46 0.54 -0.95 115.29 118.24 1a8m s HIS 15 Ca -0.03 -1.18 -0.07 0.00 0.47 0.00 0.00 55.06 54.25 1a8m s HIS 15 Cb -0.05 -0.80 -0.04 0.00 -0.13 0.00 0.00 32.58 31.56 1a8m s HIS 15 CO -0.04 -0.86 0.11 0.14 -2.47 0.00 0.00 174.74 171.62 1a8m s VAL 16 N 1.52 5.20 0.25 0.89 -7.23 0.19 -1.68 120.40 119.54 1a8m s VAL 16 Ca 0.15 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1a8m s VAL 16 Cb -0.19 -3.29 -0.04 0.00 0.56 0.00 0.00 36.38 33.42 1a8m s VAL 16 CO -0.13 0.55 0.44 -0.69 -0.31 0.00 0.00 175.10 174.96 1a8m s VAL 17 N -0.49 5.18 0.05 1.32 1.01 -1.25 0.36 120.40 126.58 1a8m s VAL 17 Ca 0.11 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1a8m s VAL 17 Cb -0.12 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 1a8m s VAL 17 CO 0.02 -0.31 0.40 0.00 0.00 0.00 0.00 175.10 175.21 1a8m s ALA 18 N -2.01 3.72 -0.13 5.51 0.00 0.11 -1.80 121.76 127.15 1a8m s ALA 18 Ca 0.38 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 1a8m s ALA 18 Cb -0.10 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 1a8m s ALA 18 CO 0.31 0.54 1.59 1.21 0.00 0.00 0.00 175.76 179.41 1a8m s ASN 19 N -1.55 6.59 0.00 0.00 2.47 -0.42 -4.89 114.94 117.15 1a8m s ASN 19 Ca 0.30 1.92 0.00 0.00 0.42 0.00 0.00 52.86 55.50 1a8m s ASN 19 Cb -0.15 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1a8m s ASN 19 CO 0.16 -1.04 0.14 -0.81 -3.72 0.00 0.00 177.10 171.84 1a8m n PRO 20 N 7.27 0.00 -1.45 0.43 -0.04 -1.26 -4.16 135.00 135.78 1a8m n PRO 20 Ca 0.17 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1a8m n PRO 20 Cb 0.44 -0.64 -0.10 0.00 -0.04 0.00 0.00 33.50 33.16 1a8m n PRO 20 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1a8m n GLN 21 N -0.15 0.19 -2.71 0.54 7.27 -1.26 -4.34 117.38 116.92 1a8m n GLN 21 Ca 0.00 -0.92 -0.07 0.00 0.07 0.00 0.00 57.00 56.08 1a8m n GLN 21 Cb 0.00 -2.94 0.08 0.00 2.41 0.00 0.00 30.24 29.80 1a8m n GLN 21 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1a8m n ALA 22 N 14.87 -1.81 -0.64 1.69 0.00 -1.26 -5.12 120.51 128.24 1a8m n ALA 22 Ca 0.39 -1.07 -0.30 0.00 0.00 0.00 0.00 53.44 52.46 1a8m n ALA 22 Cb 0.42 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 1a8m n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a8m n GLU 23 N 0.85 0.00 -4.01 0.00 2.13 -1.26 -2.99 120.64 115.36 1a8m n GLU 23 Ca 0.04 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.50 1a8m n GLU 23 Cb 0.70 -0.77 -0.01 0.00 0.27 0.00 0.00 31.44 31.63 1a8m n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a8m n GLY 24 N 3.82 -0.58 0.00 8.31 0.00 -1.26 -4.88 105.19 110.60 1a8m n GLY 24 Ca 0.28 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1a8m n GLY 24 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1a8m n GLN 25 N -4.61 0.75 -2.77 1.61 7.27 -1.16 -4.74 117.38 113.73 1a8m n GLN 25 Ca -0.20 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 56.81 1a8m n GLN 25 Cb 0.63 -0.59 0.01 0.00 2.41 0.00 0.00 30.24 32.69 1a8m n GLN 25 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1a8m n LEU 26 N -0.79 -7.29 -4.27 1.69 7.94 -1.26 -5.01 117.00 108.00 1a8m n LEU 26 Ca 0.00 0.40 -0.36 0.00 -1.11 0.00 0.00 56.01 54.94 1a8m n LEU 26 Cb 0.09 -3.20 -0.13 0.00 0.53 0.00 0.00 43.42 40.72 1a8m n LEU 26 CO 0.00 -1.98 -0.33 -1.58 -1.11 0.00 0.00 177.39 172.39 1a8m s GLN 27 N -2.57 2.93 0.90 1.96 0.74 -1.26 -5.00 119.66 117.36 1a8m s GLN 27 Ca 0.19 -0.94 -0.11 0.00 0.05 0.00 0.00 55.36 54.55 1a8m s GLN 27 Cb -0.05 -3.21 0.13 0.00 1.10 0.00 0.00 33.01 30.98 1a8m s GLN 27 CO 0.70 -0.44 1.11 -1.58 -0.55 0.00 0.00 175.29 174.53 1a8m s TRP 28 N 1.41 1.96 0.16 1.67 0.52 -1.26 -1.30 118.94 122.10 1a8m s TRP 28 Ca 0.01 1.59 -0.11 0.00 0.02 0.00 0.00 56.10 57.61 1a8m s TRP 28 Cb -0.17 -3.21 0.00 0.00 -1.15 0.00 0.00 33.47 28.94 1a8m s TRP 28 CO -0.00 -2.58 0.32 -0.51 0.02 0.00 0.00 176.95 174.20 1a8m s LEU 29 N -6.42 0.84 0.28 2.99 1.43 -0.75 -4.68 118.68 112.37 1a8m s LEU 29 Ca 0.65 -0.74 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 1a8m s LEU 29 Cb -0.21 1.37 -0.06 0.00 0.03 0.00 0.00 46.19 47.33 1a8m s LEU 29 CO 0.58 -0.89 -0.10 0.54 0.23 0.00 0.00 176.35 176.70 1a8m s ASN 30 N -2.93 3.03 0.00 2.29 4.22 -1.26 -3.93 114.94 116.36 1a8m s ASN 30 Ca 0.13 -1.14 0.00 0.00 -2.14 0.00 0.00 52.86 49.71 1a8m s ASN 30 Cb 0.03 -0.22 0.00 0.00 1.28 0.00 0.00 41.25 42.34 1a8m s ASN 30 CO -0.03 -0.23 0.00 0.47 -2.04 0.00 0.00 177.10 175.27 1a8m n ASP 31 N -0.59 0.00 -3.60 3.54 8.00 -1.26 -5.04 116.55 117.60 1a8m n ASP 31 Ca -0.06 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.18 1a8m n ASP 31 Cb 0.62 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.96 1a8m n ASP 31 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1a8m n ARG 32 N 0.00 -3.50 0.00 -1.24 1.74 -1.26 -4.76 116.66 107.64 1a8m n ARG 32 Ca 0.00 -1.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 1a8m n ARG 32 Cb 0.00 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 1a8m n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a8m n ALA 33 N -5.17 0.00 -3.18 7.54 0.00 -1.26 -2.05 120.51 116.38 1a8m n ALA 33 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 1a8m n ALA 33 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1a8m n ALA 33 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1a8m n ASN 34 N 0.00 1.55 -4.78 0.00 2.85 -1.26 -5.08 115.26 108.54 1a8m n ASN 34 Ca 0.00 -3.06 -0.39 0.00 -0.11 0.00 0.00 54.58 51.02 1a8m n ASN 34 Cb 0.00 -0.62 -0.06 0.00 1.24 0.00 0.00 39.78 40.34 1a8m n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a8m s ALA 35 N -2.17 3.52 0.18 5.20 0.00 -0.87 -4.94 121.76 122.68 1a8m s ALA 35 Ca 0.40 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.45 1a8m s ALA 35 Cb 0.25 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1a8m s ALA 35 CO -0.09 0.23 -0.15 -0.51 0.00 0.00 0.00 175.76 175.24 1a8m s LEU 36 N -0.45 2.51 -0.30 0.00 2.01 -0.68 -4.62 118.68 117.16 1a8m s LEU 36 Ca 0.30 -0.95 -0.13 0.00 0.01 0.00 0.00 54.13 53.36 1a8m s LEU 36 Cb -0.18 -0.70 0.16 0.00 0.01 0.00 0.00 46.19 45.47 1a8m s LEU 36 CO 0.17 -0.13 0.89 -0.76 1.01 0.00 0.00 176.35 177.53 1a8m s LEU 37 N -3.04 -0.76 -0.14 1.79 1.43 -1.24 -0.34 118.68 116.39 1a8m s LEU 37 Ca 0.19 0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 53.98 1a8m s LEU 37 Cb -0.03 1.84 0.12 0.00 0.03 0.00 0.00 46.19 48.16 1a8m s LEU 37 CO 0.06 -0.14 0.98 0.00 0.23 0.00 0.00 176.35 177.48 1a8m s ALA 38 N 2.61 -1.92 -0.53 4.21 0.00 -0.53 -4.96 121.76 120.65 1a8m s ALA 38 Ca -0.02 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1a8m s ALA 38 Cb -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1a8m s ALA 38 CO -0.18 -0.36 0.00 0.09 0.00 0.00 0.00 175.76 175.32 1a8m n ASN 39 N 0.62 -3.07 -0.21 0.00 5.03 -1.26 -2.23 115.26 114.13 1a8m n ASN 39 Ca -0.10 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1a8m n ASN 39 Cb 0.58 -1.64 0.00 0.00 -1.02 0.00 0.00 39.78 37.70 1a8m n ASN 39 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a8m n GLY 40 N -1.77 0.85 2.77 7.41 0.00 -1.26 -4.38 105.19 108.81 1a8m n GLY 40 Ca -0.06 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.63 4.35 -1.31 1.61 0.31 -1.26 -4.09 118.33 115.32 1a8m n VAL 41 Ca 0.00 -5.73 -0.37 0.00 -0.01 0.00 0.00 64.34 58.23 1a8m n VAL 41 Cb 0.39 -1.65 0.04 0.00 -0.91 0.00 0.00 33.84 31.72 1a8m n VAL 41 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a8m n GLU 42 N 0.19 0.28 -3.74 5.55 4.71 -1.23 -4.39 120.64 122.01 1a8m n GLU 42 Ca 0.36 0.12 -0.36 0.00 -0.01 0.00 0.00 57.16 57.26 1a8m n GLU 42 Cb 0.34 -1.53 -0.10 0.00 -1.01 0.00 0.00 31.44 29.14 1a8m n GLU 42 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1a8m s LEU 43 N 1.96 5.23 -0.11 -4.62 2.96 -1.26 0.10 118.68 122.94 1a8m s LEU 43 Ca 0.63 -2.56 -0.03 0.00 -0.22 0.00 0.00 54.13 51.95 1a8m s LEU 43 Cb -0.40 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1a8m s LEU 43 CO 0.61 -0.43 0.01 -0.13 -1.32 0.00 0.00 176.35 175.08 1a8m s ARG 44 N 0.37 3.27 -1.48 1.98 1.81 0.48 -4.55 118.95 120.83 1a8m s ARG 44 Ca 0.14 -0.41 -0.12 0.00 -1.72 0.00 0.00 55.73 53.62 1a8m s ARG 44 Cb -0.21 -2.88 0.07 0.00 -0.45 0.00 0.00 34.95 31.48 1a8m s ARG 44 CO -0.04 0.55 0.82 -3.47 -0.68 0.00 0.00 175.30 172.48 1a8m n ASP 45 N 2.61 -4.76 -0.70 0.23 2.03 -1.26 -0.20 116.55 114.49 1a8m n ASP 45 Ca -0.18 -0.62 -0.08 0.00 0.52 0.00 0.00 54.79 54.44 1a8m n ASP 45 Cb 0.53 -3.83 -0.02 0.00 -0.72 0.00 0.00 41.12 37.08 1a8m n ASP 45 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1a8m n ASN 46 N -2.66 -3.54 -3.95 1.67 5.15 -1.26 -5.02 115.26 105.65 1a8m n ASN 46 Ca 0.01 0.12 -0.14 0.00 -0.60 0.00 0.00 54.58 53.97 1a8m n ASN 46 Cb 0.54 -2.14 -0.13 0.00 -0.53 0.00 0.00 39.78 37.52 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 -3.29 0.31 0.18 1.20 -0.21 0.72 -4.71 119.66 113.85 1a8m s GLN 47 Ca 0.00 -0.27 -0.30 0.00 0.02 0.00 0.00 55.36 54.81 1a8m s GLN 47 Cb 0.00 -0.22 -0.07 0.00 1.00 0.00 0.00 33.01 33.71 1a8m s GLN 47 CO 0.00 0.05 1.04 -0.51 -2.12 0.00 0.00 175.29 173.75 1a8m s LEU 48 N -0.45 4.52 -0.18 2.90 1.02 -1.20 0.18 118.68 125.47 1a8m s LEU 48 Ca -0.02 2.01 -0.03 0.00 0.02 0.00 0.00 54.13 56.11 1a8m s LEU 48 Cb -0.04 -3.60 -0.01 0.00 0.02 0.00 0.00 46.19 42.56 1a8m s LEU 48 CO -0.00 -0.12 -0.07 -0.69 0.02 0.00 0.00 176.35 175.49 1a8m s VAL 49 N -0.37 3.39 0.18 -1.59 1.01 0.29 -2.24 120.40 121.07 1a8m s VAL 49 Ca 0.47 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1a8m s VAL 49 Cb -0.27 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 1a8m s VAL 49 CO 0.34 0.47 0.70 0.54 0.00 0.00 0.00 175.10 177.15 1a8m s VAL 50 N 0.85 4.57 -0.39 2.92 0.11 -0.65 -3.50 120.40 124.31 1a8m s VAL 50 Ca -0.02 1.34 -0.02 0.00 -2.93 0.00 0.00 61.98 60.36 1a8m s VAL 50 Cb -0.15 -3.93 0.10 0.00 -1.53 0.00 0.00 36.38 30.88 1a8m s VAL 50 CO 0.01 0.35 0.17 -2.16 -3.33 0.00 0.00 175.10 170.13 1a8m s PRO 51 N -1.63 1.95 0.00 1.54 0.04 -1.26 -1.36 135.00 134.29 1a8m s PRO 51 Ca 0.38 -1.79 0.00 0.00 0.04 0.00 0.00 61.00 59.64 1a8m s PRO 51 Cb -0.19 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1a8m s PRO 51 CO 0.22 -1.02 0.00 -1.13 0.04 0.00 0.00 177.00 175.11 1a8m n SER 52 N 4.54 -0.29 -3.87 6.66 3.41 -1.26 -4.88 113.62 117.93 1a8m n SER 52 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.29 1a8m n SER 52 Cb 0.42 0.57 0.27 0.00 -0.26 0.00 0.00 64.21 65.20 1a8m n SER 52 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1a8m s GLU 53 N -4.81 -2.03 0.00 4.33 -1.05 -1.26 -3.87 118.70 110.01 1a8m s GLU 53 Ca 0.00 0.34 0.00 0.00 -0.15 0.00 0.00 54.97 55.16 1a8m s GLU 53 Cb 0.00 -1.46 0.00 0.00 -0.44 0.00 0.00 34.13 32.23 1a8m s GLU 53 CO 0.00 -4.34 0.00 0.41 0.95 0.00 0.00 175.26 172.28 1a8m n GLY 54 N 0.86 0.96 3.40 -3.83 0.00 -1.09 -4.86 105.19 100.64 1a8m n GLY 54 Ca 0.09 -1.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 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 5.38 -0.20 0.99 2.01 -1.26 -0.58 118.68 125.02 1a8m s LEU 55 Ca 0.00 -1.23 -0.11 0.00 0.01 0.00 0.00 54.13 52.80 1a8m s LEU 55 Cb 0.00 -2.31 -0.05 0.00 0.01 0.00 0.00 46.19 43.84 1a8m s LEU 55 CO 0.00 -0.85 0.20 -0.31 1.01 0.00 0.00 176.35 176.39 1a8m s TYR 56 N 2.23 3.40 -0.14 0.29 1.51 0.79 -2.33 117.35 123.10 1a8m s TYR 56 Ca 0.10 0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 56.26 1a8m s TYR 56 Cb -0.23 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.34 1a8m s TYR 56 CO 0.08 0.21 1.36 -1.17 -1.11 0.00 0.00 175.55 174.92 1a8m s LEU 57 N 0.61 4.22 -0.18 -1.29 0.20 -0.44 -2.47 118.68 119.33 1a8m s LEU 57 Ca 0.11 1.83 -0.01 0.00 0.69 0.00 0.00 54.13 56.75 1a8m s LEU 57 Cb -0.12 -3.54 -0.00 0.00 -0.43 0.00 0.00 46.19 42.10 1a8m s LEU 57 CO 0.02 -0.80 -0.13 -0.63 -0.29 0.00 0.00 176.35 174.51 1a8m s ILE 58 N 3.63 2.78 0.06 6.68 1.01 -0.02 -2.56 121.20 132.79 1a8m s ILE 58 Ca 0.59 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 1a8m s ILE 58 Cb -0.25 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1a8m s ILE 58 CO 0.18 0.50 0.00 -0.72 0.00 0.00 0.00 174.94 174.90 1a8m s TYR 59 N 1.04 0.52 -0.23 3.97 -0.85 -0.03 -0.25 117.35 121.53 1a8m s TYR 59 Ca -0.01 -1.04 -0.29 0.00 -0.52 0.00 0.00 57.07 55.21 1a8m s TYR 59 Cb -0.15 -0.37 0.16 0.00 0.38 0.00 0.00 41.96 41.98 1a8m s TYR 59 CO -0.03 -0.41 1.17 0.45 -1.52 0.00 0.00 175.55 175.21 1a8m s SER 60 N -2.93 -0.23 0.02 -0.18 0.15 0.15 0.23 113.70 110.92 1a8m s SER 60 Ca 0.09 0.28 0.02 0.00 0.70 0.00 0.00 55.95 57.04 1a8m s SER 60 Cb 0.08 0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.60 1a8m s SER 60 CO -0.09 -0.19 -0.06 -1.58 1.20 0.00 0.00 173.24 172.52 1a8m s GLN 61 N -0.89 0.46 0.11 5.44 0.74 0.25 -0.62 119.66 125.15 1a8m s GLN 61 Ca 0.03 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 54.96 1a8m s GLN 61 Cb -0.01 -0.31 -0.04 0.00 1.10 0.00 0.00 33.01 33.75 1a8m s GLN 61 CO -0.04 0.07 -0.08 0.14 -0.55 0.00 0.00 175.29 174.83 1a8m s VAL 62 N -0.86 0.84 -0.15 1.34 -7.23 -0.13 -1.84 120.40 112.37 1a8m s VAL 62 Ca -0.05 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.15 1a8m s VAL 62 Cb -0.07 -1.68 0.05 0.00 0.56 0.00 0.00 36.38 35.25 1a8m s VAL 62 CO 0.00 -0.80 0.07 -0.22 -0.31 0.00 0.00 175.10 173.84 1a8m s LEU 63 N -2.99 0.51 -0.12 1.32 2.96 -1.26 -1.25 118.68 117.84 1a8m s LEU 63 Ca 0.12 -0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 53.35 1a8m s LEU 63 Cb 0.03 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.36 1a8m s LEU 63 CO -0.03 -0.32 0.41 -0.36 -1.32 0.00 0.00 176.35 174.74 1a8m s PHE 64 N 2.07 3.52 -0.04 5.38 0.08 -0.45 -2.67 117.98 125.87 1a8m s PHE 64 Ca 0.02 0.81 0.07 0.00 0.12 0.00 0.00 56.93 57.95 1a8m s PHE 64 Cb -0.15 -2.46 -0.01 0.00 -0.57 0.00 0.00 43.02 39.82 1a8m s PHE 64 CO -0.08 0.24 -0.24 0.21 -0.10 0.00 0.00 175.22 175.25 1a8m s LYS 65 N 0.39 2.25 -0.05 0.44 2.20 -1.11 -1.48 119.74 122.38 1a8m s LYS 65 Ca 0.23 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.94 1a8m s LYS 65 Cb -0.15 -2.02 0.03 0.00 -1.51 0.00 0.00 37.83 34.19 1a8m s LYS 65 CO 0.09 0.44 0.12 0.20 -0.36 0.00 0.00 175.35 175.83 1a8m s GLY 66 N -0.33 -0.01 -0.91 5.54 0.00 -0.23 -4.42 107.32 106.96 1a8m s GLY 66 Ca 0.02 0.57 -0.16 0.00 0.00 0.00 0.00 44.72 45.15 1a8m s GLY 66 CO 0.02 0.86 0.98 1.20 0.00 0.00 0.00 173.10 176.15 1a8m s GLN 67 N 1.03 3.66 0.00 2.90 1.11 -1.26 -0.31 119.66 126.80 1a8m s GLN 67 Ca -0.08 -2.21 0.00 0.00 0.01 0.00 0.00 55.36 53.08 1a8m s GLN 67 Cb -0.11 -4.68 0.00 0.00 -1.01 0.00 0.00 33.01 27.21 1a8m s GLN 67 CO -0.05 -1.52 0.00 0.41 0.01 0.00 0.00 175.29 174.14 1a8m n GLY 68 N 4.56 -1.70 3.73 3.09 0.00 -0.97 -4.87 105.19 109.03 1a8m n GLY 68 Ca 0.20 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 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 0.49 1.45 -0.77 0.00 0.02 -1.26 -2.99 135.00 131.95 1a8m s PRO 70 Ca 0.40 -0.31 -0.01 0.00 0.02 0.00 0.00 61.00 61.09 1a8m s PRO 70 Cb -0.19 -2.00 0.38 0.00 0.02 0.00 0.00 34.50 32.71 1a8m s PRO 70 CO 0.21 -1.83 1.96 -1.13 -0.33 0.00 0.00 177.00 175.89 1a8m n SER 71 N -3.36 7.38 -0.71 2.53 3.41 -1.26 -4.30 113.62 117.30 1a8m n SER 71 Ca 0.12 -3.82 0.00 0.00 -0.26 0.00 0.00 58.87 54.91 1a8m n SER 71 Cb 0.60 -1.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.55 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 -0.64 0.00 -2.90 6.66 -1.04 -1.26 -5.09 114.28 110.02 1a8m n THR 72 Ca 0.55 -0.18 -0.02 0.00 -2.04 0.00 0.00 64.05 62.36 1a8m n THR 72 Cb 0.38 0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 69.37 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 0.09 -1.78 -3.06 -1.42 -0.00 -1.26 -4.88 115.22 102.92 1a8m n HIS 73 Ca -0.01 1.03 -0.43 0.00 0.46 0.00 0.00 57.72 58.78 1a8m n HIS 73 Cb 0.75 -2.16 -0.06 0.00 -0.12 0.00 0.00 29.99 28.40 1a8m n HIS 73 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1a8m s VAL 74 N -0.28 4.77 0.01 3.57 -7.23 -1.26 -5.04 120.40 114.95 1a8m s VAL 74 Ca -0.11 0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 60.37 1a8m s VAL 74 Cb 0.01 -4.22 -0.04 0.00 0.56 0.00 0.00 36.38 32.69 1a8m s VAL 74 CO 0.31 -0.58 0.15 -0.76 -0.31 0.00 0.00 175.10 173.91 1a8m s LEU 75 N 2.97 4.17 -0.06 1.32 1.43 -1.26 -4.27 118.68 122.97 1a8m s LEU 75 Ca 0.26 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1a8m s LEU 75 Cb -0.13 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.56 1a8m s LEU 75 CO 0.19 0.24 0.11 -0.76 0.23 0.00 0.00 176.35 176.36 1a8m s LEU 76 N -2.03 0.03 0.02 1.79 1.02 -0.42 -4.80 118.68 114.28 1a8m s LEU 76 Ca 0.28 0.21 0.07 0.00 0.02 0.00 0.00 54.13 54.70 1a8m s LEU 76 Cb -0.12 0.07 -0.03 0.00 0.02 0.00 0.00 46.19 46.12 1a8m s LEU 76 CO 0.19 -0.25 -0.20 0.42 0.02 0.00 0.00 176.35 176.54 1a8m s THR 77 N 2.23 2.64 0.02 5.49 -4.23 -1.26 -0.72 115.64 119.80 1a8m s THR 77 Ca 0.04 -1.13 0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1a8m s THR 77 Cb -0.12 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 1a8m s THR 77 CO -0.04 0.42 -0.24 -2.28 -0.54 0.00 0.00 174.62 171.93 1a8m s HIS 78 N -0.83 2.39 -0.11 3.99 2.46 -0.60 -3.34 115.29 119.24 1a8m s HIS 78 Ca 0.13 -0.38 -0.11 0.00 0.47 0.00 0.00 55.06 55.17 1a8m s HIS 78 Cb -0.10 -1.45 0.03 0.00 -0.13 0.00 0.00 32.58 30.92 1a8m s HIS 78 CO 0.03 0.10 0.31 0.99 -2.47 0.00 0.00 174.74 173.70 1a8m s THR 79 N -0.76 0.01 -0.27 0.89 2.01 0.63 -1.87 115.64 116.27 1a8m s THR 79 Ca 0.12 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1a8m s THR 79 Cb -0.10 -0.45 0.06 0.00 0.01 0.00 0.00 72.50 72.01 1a8m s THR 79 CO 0.01 -0.03 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.21 1a8m s ILE 80 N 0.03 2.39 -0.07 1.82 1.01 -0.12 -0.32 121.20 125.93 1a8m s ILE 80 Ca -0.01 -1.55 0.03 0.00 0.00 0.00 0.00 60.65 59.12 1a8m s ILE 80 Cb -0.02 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1a8m s ILE 80 CO 0.01 -0.03 -0.16 -0.94 0.00 0.00 0.00 174.94 173.82 1a8m s SER 81 N 1.15 3.89 -0.10 3.58 1.04 -0.49 -1.57 113.70 121.19 1a8m s SER 81 Ca -0.08 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 1a8m s SER 81 Cb -0.20 -1.01 -0.05 0.00 0.10 0.00 0.00 66.02 64.86 1a8m s SER 81 CO -0.04 0.29 0.36 -0.60 0.98 0.00 0.00 173.24 174.23 1a8m s ARG 82 N -0.41 4.11 -0.63 4.02 3.00 0.27 -1.68 118.95 127.63 1a8m s ARG 82 Ca 0.04 0.25 -0.06 0.00 -1.00 0.00 0.00 55.73 54.96 1a8m s ARG 82 Cb -0.12 -3.35 0.16 0.00 0.00 0.00 0.00 34.95 31.65 1a8m s ARG 82 CO 0.02 0.40 0.48 0.42 0.00 0.00 0.00 175.30 176.63 1a8m s ILE 83 N -0.10 4.18 0.17 4.11 1.01 -0.42 0.64 121.20 130.78 1a8m s ILE 83 Ca 0.21 -2.61 -0.33 0.00 0.00 0.00 0.00 60.65 57.92 1a8m s ILE 83 Cb -0.14 -3.70 -0.13 0.00 0.01 0.00 0.00 42.46 38.50 1a8m s ILE 83 CO 0.08 -0.88 1.68 0.00 0.00 0.00 0.00 174.94 175.82 1a8m n ALA 84 N 3.89 2.05 -0.17 9.38 0.00 -0.82 -2.34 120.51 132.52 1a8m n ALA 84 Ca 0.06 0.41 0.15 0.00 0.00 0.00 0.00 53.44 54.06 1a8m n ALA 84 Cb 0.40 -2.46 0.50 0.00 0.00 0.00 0.00 19.45 17.89 1a8m n ALA 84 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1a8m h VAL 85 N 3.88 0.80 0.00 0.00 3.04 -1.86 0.28 116.25 122.40 1a8m h VAL 85 Ca -0.44 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1a8m h VAL 85 Cb 1.23 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1a8m h VAL 85 CO 0.93 0.08 0.00 -0.24 -1.01 0.00 0.00 177.57 177.33 1a8m n SER 86 N -4.48 0.00 0.00 3.17 2.88 -1.26 -4.20 113.62 109.73 1a8m n SER 86 Ca 0.14 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1a8m n SER 86 Cb 0.52 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1a8m n SER 86 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1a8m n TYR 87 N -0.02 0.01 0.00 0.66 4.01 -1.24 -4.76 117.16 115.82 1a8m n TYR 87 Ca 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1a8m n TYR 87 Cb 0.00 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.55 1a8m n TYR 87 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1a8m n GLN 88 N -1.48 0.00 -1.60 -0.72 3.00 0.99 -4.90 117.38 112.67 1a8m n GLN 88 Ca -0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1a8m n GLN 88 Cb 0.03 -2.99 0.04 0.00 0.00 0.00 0.00 30.24 27.32 1a8m n GLN 88 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1a8m n THR 89 N -1.22 3.27 -3.72 5.09 5.66 -1.26 -4.48 114.28 117.62 1a8m n THR 89 Ca 0.00 -0.50 -0.37 0.00 -3.05 0.00 0.00 64.05 60.13 1a8m n THR 89 Cb 0.00 -1.11 -0.12 0.00 -1.55 0.00 0.00 70.33 67.55 1a8m n THR 89 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1a8m s LYS 90 N -2.53 3.78 -0.11 1.09 2.20 -1.26 -1.93 119.74 120.98 1a8m s LYS 90 Ca 0.72 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.93 1a8m s LYS 90 Cb -0.45 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1a8m s LYS 90 CO 0.50 -0.15 -0.15 0.54 -0.36 0.00 0.00 175.35 175.72 1a8m s VAL 91 N 1.57 2.86 -0.28 4.02 0.11 0.21 -4.94 120.40 123.95 1a8m s VAL 91 Ca 0.06 -0.75 -0.28 0.00 -2.93 0.00 0.00 61.98 58.09 1a8m s VAL 91 Cb -0.15 -2.16 0.01 0.00 -1.53 0.00 0.00 36.38 32.54 1a8m s VAL 91 CO 0.06 0.54 0.99 0.20 -3.33 0.00 0.00 175.10 173.57 1a8m s ASN 92 N 0.11 6.93 -0.01 3.54 0.02 -1.26 0.97 114.94 125.24 1a8m s ASN 92 Ca -0.07 1.08 -0.01 0.00 -1.02 0.00 0.00 52.86 52.84 1a8m s ASN 92 Cb -0.15 -2.51 -0.00 0.00 0.02 0.00 0.00 41.25 38.61 1a8m s ASN 92 CO 0.05 -0.74 -0.01 -0.07 0.02 0.00 0.00 177.10 176.35 1a8m h LEU 93 N 9.71 0.00 -8.91 0.60 3.38 -1.64 -3.47 115.31 114.98 1a8m h LEU 93 Ca -0.21 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.10 1a8m h LEU 93 Cb 1.07 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 1a8m h LEU 93 CO 0.98 0.06 -0.70 -0.76 0.09 0.00 0.00 178.44 178.10 1a8m s LEU 94 N -4.78 3.08 -0.06 1.67 1.43 -0.77 -5.00 118.68 114.26 1a8m s LEU 94 Ca -0.01 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 1a8m s LEU 94 Cb 0.00 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1a8m s LEU 94 CO 0.02 0.26 0.28 -0.55 0.23 0.00 0.00 176.35 176.59 1a8m s SER 95 N -0.19 -0.22 -0.00 2.29 0.15 -1.26 -0.95 113.70 113.52 1a8m s SER 95 Ca 0.02 0.28 -0.15 0.00 0.70 0.00 0.00 55.95 56.80 1a8m s SER 95 Cb -0.13 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 1a8m s SER 95 CO 0.03 -0.28 0.33 0.00 1.20 0.00 0.00 173.24 174.52 1a8m s ALA 96 N -0.66 -0.82 -0.04 5.45 0.00 -0.78 -4.97 121.76 119.94 1a8m s ALA 96 Ca -0.08 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.22 1a8m s ALA 96 Cb -0.04 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1a8m s ALA 96 CO 0.02 -0.30 -0.08 0.42 0.00 0.00 0.00 175.76 175.82 1a8m s ILE 97 N -1.56 0.77 -0.06 0.00 1.01 -1.26 -1.56 121.20 118.53 1a8m s ILE 97 Ca -0.12 -0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 1a8m s ILE 97 Cb -0.04 -0.71 0.03 0.00 0.01 0.00 0.00 42.46 41.75 1a8m s ILE 97 CO 0.03 0.25 0.32 -1.59 0.00 0.00 0.00 174.94 173.96 1a8m s LYS 98 N 0.42 0.55 -0.37 2.79 -2.85 0.10 -4.98 119.74 115.41 1a8m s LYS 98 Ca -0.07 0.10 -0.02 0.00 -1.00 0.00 0.00 55.97 54.98 1a8m s LYS 98 Cb -0.11 0.25 0.09 0.00 -2.06 0.00 0.00 37.83 36.00 1a8m s LYS 98 CO 0.01 -0.12 0.12 -1.54 0.10 0.00 0.00 175.35 173.92 1a8m s SER 99 N -0.67 5.10 0.36 0.03 1.04 -1.26 -1.30 113.70 116.99 1a8m s SER 99 Ca -0.08 -1.78 0.17 0.00 0.48 0.00 0.00 55.95 54.74 1a8m s SER 99 Cb -0.04 -1.78 1.14 0.00 0.10 0.00 0.00 66.02 65.45 1a8m s SER 99 CO 0.03 -0.43 1.66 -0.65 0.98 0.00 0.00 173.24 174.83 1a8m h PRO 100 N 8.00 0.28 -3.94 4.02 0.11 -1.98 -3.41 132.00 135.07 1a8m h PRO 100 Ca -0.15 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.67 1a8m h PRO 100 Cb 1.05 -0.06 -0.29 0.00 0.11 0.00 0.00 31.00 31.81 1a8m h PRO 100 CO 0.63 0.19 -0.73 0.00 -0.21 0.00 0.00 178.00 177.87 1a8m n GLN 102 N 3.11 4.17 -1.65 0.00 1.13 -1.26 -4.85 117.38 118.04 1a8m n GLN 102 Ca -0.13 -3.75 0.00 0.00 -1.94 0.00 0.00 57.00 51.18 1a8m n GLN 102 Cb 0.59 -2.74 0.00 0.00 0.11 0.00 0.00 30.24 28.19 1a8m n GLN 102 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1a8m n ARG 103 N 2.55 -0.28 0.06 -1.09 5.12 -1.26 -4.99 116.66 116.78 1a8m n ARG 103 Ca 0.45 0.26 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 1a8m n ARG 103 Cb 0.32 -0.42 0.00 0.00 -1.16 0.00 0.00 32.46 31.19 1a8m n ARG 103 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1a8m n GLU 104 N 1.93 0.00 -2.37 5.56 0.00 -1.26 -5.12 120.64 119.37 1a8m n GLU 104 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.13 1a8m n GLU 104 Cb 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 31.44 31.02 1a8m n GLU 104 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1a8m n THR 105 N -3.38-10.44 -1.50 6.31 -1.04 -1.24 -4.74 114.28 98.25 1a8m n THR 105 Ca 0.00 1.94 -0.47 0.00 -2.04 0.00 0.00 64.05 63.48 1a8m n THR 105 Cb 0.08 -6.01 -0.06 0.00 -1.82 0.00 0.00 70.33 62.52 1a8m n THR 105 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1a8m n PRO 106 N 1.07 1.34 -0.06 -2.82 -0.02 -1.16 -4.83 135.00 128.52 1a8m n PRO 106 Ca -0.23 0.34 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1a8m n PRO 106 Cb 0.35 -2.76 -0.01 0.00 -0.02 0.00 0.00 33.50 31.06 1a8m n PRO 106 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1a8m h GLU 107 N 13.78 0.00 -5.86 -0.52 4.57 -1.93 -3.48 114.58 121.14 1a8m h GLU 107 Ca -0.31 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.28 1a8m h GLU 107 Cb 1.29 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.78 1a8m h GLU 107 CO 1.02 0.00 -0.56 0.20 -1.18 0.00 0.00 179.01 178.49 1a8m s GLY 108 N -3.89 2.33 -0.97 1.92 0.00 -1.26 -4.79 107.32 100.65 1a8m s GLY 108 Ca -0.08 -2.14 -0.06 0.00 0.00 0.00 0.00 44.72 42.44 1a8m s GLY 108 CO 0.12 -1.97 0.84 0.00 0.00 0.00 0.00 173.10 172.09 1a8m n ALA 109 N -1.09 -2.51 -1.70 3.20 0.00 -1.26 -4.79 120.51 112.36 1a8m n ALA 109 Ca -0.03 0.04 -0.63 0.00 0.00 0.00 0.00 53.44 52.82 1a8m n ALA 109 Cb 0.65 -4.33 -0.09 0.00 0.00 0.00 0.00 19.45 15.68 1a8m n ALA 109 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1a8m n GLU 110 N -2.95 0.41 0.00 0.00 -0.00 -1.26 -4.76 120.64 112.07 1a8m n GLU 110 Ca -0.06 0.15 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 1a8m n GLU 110 Cb 0.59 -1.71 0.00 0.00 -0.00 0.00 0.00 31.44 30.31 1a8m n GLU 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a8m n ALA 111 N 4.07 0.00 0.00 -1.84 0.00 -1.26 -5.10 120.51 116.38 1a8m n ALA 111 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1a8m n ALA 111 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1a8m n ALA 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a8m n LYS 112 N 0.27 0.00 -1.86 0.00 4.76 -1.26 -4.85 118.16 115.21 1a8m n LYS 112 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1a8m n LYS 112 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1a8m n LYS 112 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1a8m s PRO 113 N -1.18 3.36 0.05 1.97 0.04 -1.26 -2.29 135.00 135.69 1a8m s PRO 113 Ca 0.00 0.93 0.06 0.00 0.04 0.00 0.00 61.00 62.03 1a8m s PRO 113 Cb 0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1a8m s PRO 113 CO 0.00 -0.76 -0.17 1.67 0.04 0.00 0.00 177.00 177.78 1a8m s TRP 114 N -2.93 1.47 -0.08 0.56 1.48 0.58 -4.90 118.94 115.12 1a8m s TRP 114 Ca 0.58 -0.37 0.02 0.00 -1.06 0.00 0.00 56.10 55.26 1a8m s TRP 114 Cb -0.13 -0.86 0.02 0.00 -1.16 0.00 0.00 33.47 31.33 1a8m s TRP 114 CO 0.48 0.07 -0.11 0.71 -4.06 0.00 0.00 176.95 174.04 1a8m s TYR 115 N -0.89 1.48 -0.27 1.66 1.51 -1.26 -1.07 117.35 118.52 1a8m s TYR 115 Ca 0.04 -0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 55.47 1a8m s TYR 115 Cb -0.08 -1.11 0.09 0.00 -0.11 0.00 0.00 41.96 40.74 1a8m s TYR 115 CO 0.02 -0.33 0.11 -2.00 -1.11 0.00 0.00 175.55 172.24 1a8m s GLU 116 N 0.88 0.29 0.53 -0.62 2.56 -0.55 -5.02 118.70 116.76 1a8m s GLU 116 Ca -0.11 -0.54 -0.10 0.00 0.00 0.00 0.00 54.97 54.23 1a8m s GLU 116 Cb -0.15 -1.49 -0.05 0.00 2.00 0.00 0.00 34.13 34.44 1a8m s GLU 116 CO 0.01 -0.92 0.92 -1.25 -0.56 0.00 0.00 175.26 173.45 1a8m s PRO 117 N 2.01 3.68 -0.05 4.30 0.04 -1.26 -1.35 135.00 142.37 1a8m s PRO 117 Ca 0.07 0.60 -0.02 0.00 0.04 0.00 0.00 61.00 61.69 1a8m s PRO 117 Cb -0.16 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.20 1a8m s PRO 117 CO -0.28 -0.33 0.10 0.42 0.04 0.00 0.00 177.00 176.94 1a8m s ILE 118 N -2.83 -0.14 -0.09 0.56 1.01 -0.38 -4.94 121.20 114.38 1a8m s ILE 118 Ca 0.53 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.57 1a8m s ILE 118 Cb -0.10 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 1a8m s ILE 118 CO 0.44 0.15 -0.22 -0.47 0.00 0.00 0.00 174.94 174.84 1a8m s TYR 119 N 1.96 2.58 -0.03 3.97 6.14 -1.26 -0.96 117.35 129.75 1a8m s TYR 119 Ca 0.01 -0.84 0.05 0.00 0.64 0.00 0.00 57.07 56.93 1a8m s TYR 119 Cb -0.12 -1.70 -0.01 0.00 0.42 0.00 0.00 41.96 40.55 1a8m s TYR 119 CO -0.04 -0.30 -0.19 -0.51 0.64 0.00 0.00 175.55 175.15 1a8m s LEU 120 N 0.15 2.00 -0.30 6.97 1.43 0.21 -5.01 118.68 124.12 1a8m s LEU 120 Ca -0.12 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 1a8m s LEU 120 Cb -0.16 -1.01 0.15 0.00 0.03 0.00 0.00 46.19 45.20 1a8m s LEU 120 CO 0.06 0.21 0.88 -0.83 0.23 0.00 0.00 176.35 176.91 1a8m s GLY 121 N -0.27 -0.32 0.30 -3.19 0.00 -1.26 -0.67 107.32 101.91 1a8m s GLY 121 Ca 0.03 2.85 -0.06 0.00 0.00 0.00 0.00 44.72 47.54 1a8m s GLY 121 CO 0.00 3.02 0.45 -0.32 0.00 0.00 0.00 173.10 176.26 1a8m s GLY 122 N 2.30 1.11 -0.21 0.20 0.00 0.66 -4.98 107.32 106.39 1a8m s GLY 122 Ca -0.05 -1.29 -0.05 0.00 0.00 0.00 0.00 44.72 43.33 1a8m s GLY 122 CO -0.18 -0.88 0.00 0.14 0.00 0.00 0.00 173.10 172.18 1a8m s VAL 123 N -3.46 3.90 0.10 1.40 1.01 -1.26 -0.84 120.40 121.25 1a8m s VAL 123 Ca 0.28 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1a8m s VAL 123 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1a8m s VAL 123 CO 0.15 0.41 -0.07 -0.36 0.00 0.00 0.00 175.10 175.24 1a8m s PHE 124 N 1.16 0.90 -0.50 5.22 0.08 -1.03 -4.97 117.98 118.84 1a8m s PHE 124 Ca 0.03 -0.91 -0.17 0.00 0.12 0.00 0.00 56.93 56.00 1a8m s PHE 124 Cb -0.14 -0.52 0.07 0.00 -0.57 0.00 0.00 43.02 41.86 1a8m s PHE 124 CO 0.01 -0.14 0.52 -1.14 -0.10 0.00 0.00 175.22 174.37 1a8m s GLN 125 N -3.80 3.05 0.48 0.44 2.00 -1.26 -0.15 119.66 120.42 1a8m s GLN 125 Ca 0.12 -1.16 0.07 0.00 -2.00 0.00 0.00 55.36 52.38 1a8m s GLN 125 Cb 0.05 -4.13 0.03 0.00 0.80 0.00 0.00 33.01 29.76 1a8m s GLN 125 CO -0.05 -1.16 0.66 -0.51 -0.50 0.00 0.00 175.29 173.73 1a8m s LEU 126 N 2.15 3.47 -0.03 3.68 1.43 0.25 -4.94 118.68 124.69 1a8m s LEU 126 Ca 0.09 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1a8m s LEU 126 Cb -0.22 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.51 1a8m s LEU 126 CO 0.09 -0.97 -0.02 -1.61 0.23 0.00 0.00 176.35 174.07 1a8m s GLU 127 N -4.51 0.52 -0.33 1.70 2.02 -1.26 -2.65 118.70 114.18 1a8m s GLU 127 Ca 0.57 -0.03 -0.29 0.00 0.02 0.00 0.00 54.97 55.24 1a8m s GLU 127 Cb -0.09 -0.60 -0.13 0.00 0.10 0.00 0.00 34.13 33.41 1a8m s GLU 127 CO 0.35 -0.08 1.42 1.17 0.02 0.00 0.00 175.26 178.14 1a8m n LYS 128 N 3.93 0.00 0.00 1.61 3.00 -1.25 0.68 118.16 126.13 1a8m n LYS 128 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.06 1a8m n LYS 128 Cb 0.51 -0.99 0.00 0.00 0.00 0.00 0.00 35.03 34.55 1a8m n LYS 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a8m n GLY 129 N 4.97 2.41 3.68 3.14 0.00 -0.46 -4.78 105.19 114.14 1a8m n GLY 129 Ca 0.36 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 1a8m n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a8m n ASP 130 N 0.00 1.15 -4.25 1.61 9.92 0.21 -4.35 116.55 120.84 1a8m n ASP 130 Ca 0.00 0.68 -0.30 0.00 -0.53 0.00 0.00 54.79 54.64 1a8m n ASP 130 Cb 0.00 -1.49 -0.16 0.00 -0.64 0.00 0.00 41.12 38.83 1a8m n ASP 130 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1a8m s ARG 131 N -3.66 2.18 -0.10 -1.24 0.52 -0.99 -1.64 118.95 114.02 1a8m s ARG 131 Ca 0.76 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1a8m s ARG 131 Cb -0.33 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1a8m s ARG 131 CO 0.48 0.41 -0.06 -0.51 0.02 0.00 0.00 175.30 175.64 1a8m s LEU 132 N -0.29 3.16 -0.09 2.53 2.01 -0.95 -1.30 118.68 123.75 1a8m s LEU 132 Ca 0.01 -0.08 0.04 0.00 0.01 0.00 0.00 54.13 54.11 1a8m s LEU 132 Cb -0.12 -1.72 -0.00 0.00 0.01 0.00 0.00 46.19 44.36 1a8m s LEU 132 CO 0.02 0.28 -0.24 -0.55 1.01 0.00 0.00 176.35 176.87 1a8m s SER 133 N -0.30 3.15 -0.26 2.29 0.15 -0.68 -3.25 113.70 114.79 1a8m s SER 133 Ca 0.04 -0.53 -0.06 0.00 0.70 0.00 0.00 55.95 56.10 1a8m s SER 133 Cb -0.13 -1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.94 1a8m s SER 133 CO 0.02 0.19 0.05 0.00 1.20 0.00 0.00 173.24 174.71 1a8m s ALA 134 N 0.17 3.05 0.02 5.45 0.00 -1.26 -1.40 121.76 127.79 1a8m s ALA 134 Ca -0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 1a8m s ALA 134 Cb -0.16 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 1a8m s ALA 134 CO 0.07 -0.68 0.04 -1.83 0.00 0.00 0.00 175.76 173.36 1a8m s GLU 135 N 1.54 0.41 0.52 0.00 -1.05 0.56 -4.98 118.70 115.69 1a8m s GLU 135 Ca 0.04 -0.56 0.01 0.00 -0.15 0.00 0.00 54.97 54.32 1a8m s GLU 135 Cb -0.16 0.16 0.01 0.00 -0.44 0.00 0.00 34.13 33.70 1a8m s GLU 135 CO 0.02 -0.08 0.10 0.44 0.95 0.00 0.00 175.26 176.68 1a8m n ILE 136 N 1.44 0.00 -0.04 1.83 -5.35 -1.26 -0.27 119.36 115.71 1a8m n ILE 136 Ca -0.23 -2.33 -0.04 0.00 -0.27 0.00 0.00 62.75 59.88 1a8m n ILE 136 Cb 0.56 0.35 -0.05 0.00 -1.74 0.00 0.00 39.64 38.76 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 -1.44 3.33 -3.86 7.28 6.94 -1.21 -4.80 115.26 121.51 1a8m n ASN 137 Ca -0.16 -0.01 -0.33 0.00 -0.02 0.00 0.00 54.58 54.05 1a8m n ASN 137 Cb 0.63 0.43 -0.07 0.00 -2.36 0.00 0.00 39.78 38.41 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 -2.40 2.70 0.00 -3.83 1.74 -1.26 -4.87 116.66 108.74 1a8m n ARG 138 Ca -0.12 -4.55 0.04 0.00 -0.77 0.00 0.00 57.85 52.44 1a8m n ARG 138 Cb 0.70 -2.36 0.21 0.00 -1.02 0.00 0.00 32.46 30.00 1a8m n ARG 138 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1a8m n PRO 139 N 1.68 0.65 0.00 5.56 -0.04 -1.26 -1.00 135.00 140.59 1a8m n PRO 139 Ca 0.24 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 1a8m n PRO 139 Cb 0.37 -1.17 0.41 0.00 -0.04 0.00 0.00 33.50 33.07 1a8m n PRO 139 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1a8m n ASP 140 N -0.67 0.56 -2.93 3.54 5.75 -1.26 -4.04 116.55 117.50 1a8m n ASP 140 Ca 0.05 -0.39 -0.33 0.00 -0.01 0.00 0.00 54.79 54.11 1a8m n ASP 140 Cb 0.02 0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1a8m n ASP 140 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1a8m n TYR 141 N -1.15 3.30 -5.11 2.11 4.01 -0.17 -5.01 117.16 115.13 1a8m n TYR 141 Ca 0.09 -2.96 -0.32 0.00 -0.16 0.00 0.00 57.90 54.55 1a8m n TYR 141 Cb 0.33 -0.71 -0.16 0.00 -0.31 0.00 0.00 39.34 38.49 1a8m n TYR 141 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1a8m s LEU 142 N -3.84 2.30 -0.41 7.72 1.43 -1.26 -2.74 118.68 121.88 1a8m s LEU 142 Ca 0.48 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.85 1a8m s LEU 142 Cb 0.35 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1a8m s LEU 142 CO -0.23 0.23 1.10 -0.62 0.23 0.00 0.00 176.35 177.06 1a8m s ASP 143 N -0.09 6.76 -0.22 2.29 2.15 -1.09 -4.73 116.67 121.74 1a8m s ASP 143 Ca -0.05 0.71 0.02 0.00 0.43 0.00 0.00 52.55 53.66 1a8m s ASP 143 Cb -0.14 -2.54 0.33 0.00 -0.30 0.00 0.00 42.92 40.27 1a8m s ASP 143 CO 0.04 -1.08 1.44 0.49 -0.17 0.00 0.00 175.17 175.89 1a8m n PHE 144 N 7.40 1.49 0.08 -5.34 3.72 -1.26 -3.60 117.46 119.95 1a8m n PHE 144 Ca 0.12 -1.14 -0.19 0.00 -0.05 0.00 0.00 57.45 56.19 1a8m n PHE 144 Cb 0.48 -0.58 -0.14 0.00 -0.94 0.00 0.00 39.48 38.29 1a8m n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a8m h ALA 145 N 1.55 0.18 -0.75 4.37 0.00 -2.01 -3.49 119.26 119.11 1a8m h ALA 145 Ca 0.30 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1a8m h ALA 145 Cb 1.90 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1a8m h ALA 145 CO 0.53 1.05 0.00 0.39 0.00 0.00 0.00 179.25 181.22 1a8m n GLU 146 N -3.52 0.00 0.00 0.00 1.02 -1.24 -4.96 120.64 111.95 1a8m n GLU 146 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1a8m n GLU 146 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.47 1a8m n GLU 146 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1a8m n SER 147 N 1.34 0.00 -2.93 1.62 7.64 -1.26 -4.84 113.62 115.20 1a8m n SER 147 Ca 0.00 0.07 -0.13 0.00 1.01 0.00 0.00 58.87 59.82 1a8m n SER 147 Cb 0.00 -0.22 0.02 0.00 -1.01 0.00 0.00 64.21 63.00 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 2.13 2.33 0.13 0.23 0.00 -1.26 -4.94 105.19 103.81 1a8m n GLY 148 Ca 0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 1a8m n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a8m n GLN 149 N 0.12 0.66 -3.67 1.61 6.02 -1.26 -4.87 117.38 115.99 1a8m n GLN 149 Ca 0.15 0.20 -0.39 0.00 -0.01 0.00 0.00 57.00 56.95 1a8m n GLN 149 Cb 0.73 -1.56 -0.12 0.00 1.02 0.00 0.00 30.24 30.31 1a8m n GLN 149 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1a8m s VAL 150 N -2.52 4.23 0.09 5.09 1.01 -1.26 -4.47 120.40 122.57 1a8m s VAL 150 Ca -0.33 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.64 1a8m s VAL 150 Cb 0.09 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1a8m s VAL 150 CO 0.62 -0.19 0.13 -0.72 0.00 0.00 0.00 175.10 174.94 1a8m s TYR 151 N 1.49 0.37 -0.07 5.22 -0.85 -0.76 -0.71 117.35 122.03 1a8m s TYR 151 Ca 0.01 -0.81 -0.07 0.00 -0.52 0.00 0.00 57.07 55.67 1a8m s TYR 151 Cb -0.19 -0.19 0.02 0.00 0.38 0.00 0.00 41.96 41.97 1a8m s TYR 151 CO 0.05 -0.52 0.20 0.12 -1.52 0.00 0.00 175.55 173.88 1a8m s PHE 152 N -3.91 -0.21 0.07 -3.49 5.36 0.16 0.86 117.98 116.81 1a8m s PHE 152 Ca 0.10 0.52 -0.26 0.00 -0.96 0.00 0.00 56.93 56.32 1a8m s PHE 152 Cb 0.06 0.07 0.09 0.00 -0.34 0.00 0.00 43.02 42.90 1a8m s PHE 152 CO -0.08 -0.12 0.78 0.20 -1.46 0.00 0.00 175.22 174.55 1a8m s GLY 153 N 0.04 -0.50 0.24 13.12 0.00 0.13 0.56 107.32 120.91 1a8m s GLY 153 Ca -0.01 0.75 -0.06 0.00 0.00 0.00 0.00 44.72 45.40 1a8m s GLY 153 CO 0.00 0.25 0.33 -0.26 0.00 0.00 0.00 173.10 173.42 1a8m s ILE 154 N -3.38 0.00 -0.29 0.90 -4.36 -0.13 -0.85 121.20 113.09 1a8m s ILE 154 Ca 0.04 -1.70 -0.21 0.00 -0.26 0.00 0.00 60.65 58.52 1a8m s ILE 154 Cb -0.01 -2.39 0.18 0.00 1.25 0.00 0.00 42.46 41.49 1a8m s ILE 154 CO -0.10 0.00 1.27 -0.51 0.24 0.00 0.00 174.94 175.84 1a8m s ILE 155 N -3.93 0.00 0.24 8.37 1.10 -1.06 -2.07 121.20 123.84 1a8m s ILE 155 Ca 0.31 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.15 1a8m s ILE 155 Cb 0.03 -1.00 -0.09 0.00 0.15 0.00 0.00 42.46 41.55 1a8m s ILE 155 CO 0.12 0.00 1.17 0.00 -2.11 0.00 0.00 174.94 174.12 1a8m s ALA 156 N 0.52 3.43 -2.63 1.50 0.00 -0.16 -1.33 121.76 123.08 1a8m s ALA 156 Ca 0.00 0.96 0.21 0.00 0.00 0.00 0.00 51.96 53.13 1a8m s ALA 156 Cb -0.04 -3.39 0.17 0.00 0.00 0.00 0.00 23.12 19.86 1a8m s ALA 156 CO -0.12 -0.31 1.17 1.28 0.00 0.00 0.00 175.76 177.77