#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnf s THR 7 N 0.00 2.57 0.00 0.55 2.01 -1.26 -4.82 115.64 114.69 1tnf s THR 7 Ca 0.00 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1tnf s THR 7 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1tnf s THR 7 CO 0.00 0.01 0.00 -0.81 -0.69 0.00 0.00 174.62 173.13 1tnf n PRO 8 N 4.89 -0.61 -3.18 4.92 -0.04 -1.26 -5.08 135.00 134.64 1tnf n PRO 8 Ca 0.16 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 1tnf n PRO 8 Cb 0.38 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.85 1tnf n PRO 8 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tnf n SER 9 N -2.79 -6.96 -4.57 3.54 7.64 -1.26 -4.73 113.62 104.48 1tnf n SER 9 Ca 0.00 0.01 -0.40 0.00 1.01 0.00 0.00 58.87 59.49 1tnf n SER 9 Cb 0.00 -4.07 -0.03 0.00 -1.01 0.00 0.00 64.21 59.10 1tnf n SER 9 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tnf s ASP 10 N -2.54 5.33 -0.03 6.43 3.68 -1.26 -4.80 116.67 123.48 1tnf s ASP 10 Ca 0.17 0.93 0.01 0.00 2.13 0.00 0.00 52.55 55.80 1tnf s ASP 10 Cb -0.03 -2.52 0.02 0.00 -1.45 0.00 0.00 42.92 38.93 1tnf s ASP 10 CO 0.81 -2.22 -0.02 -0.54 0.13 0.00 0.00 175.17 173.33 1tnf s LYS 11 N 6.75 0.49 -0.11 4.34 3.01 -1.26 -5.06 119.74 127.91 1tnf s LYS 11 Ca 0.80 -0.03 -0.36 0.00 -1.01 0.00 0.00 55.97 55.37 1tnf s LYS 11 Cb -0.18 -0.57 -0.17 0.00 -1.01 0.00 0.00 37.83 35.89 1tnf s LYS 11 CO 0.27 -0.07 1.03 -2.30 0.51 0.00 0.00 175.35 174.79 1tnf n PRO 12 N 3.87 0.00 -3.75 -1.68 -0.02 -1.24 -4.67 135.00 127.51 1tnf n PRO 12 Ca -0.24 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.11 1tnf n PRO 12 Cb 0.52 -1.29 -0.10 0.00 -0.02 0.00 0.00 33.50 32.61 1tnf n PRO 12 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1tnf s VAL 13 N 0.63 0.01 -0.23 -1.45 0.11 -1.19 -2.28 120.40 116.01 1tnf s VAL 13 Ca 0.81 -0.12 -0.21 0.00 -2.93 0.00 0.00 61.98 59.53 1tnf s VAL 13 Cb -1.14 -0.53 0.06 0.00 -1.53 0.00 0.00 36.38 33.24 1tnf s VAL 13 CO 0.54 -0.06 0.62 0.00 -3.33 0.00 0.00 175.10 172.87 1tnf s ALA 14 N -0.19 -1.55 -0.23 1.54 0.00 0.15 -2.77 121.76 118.71 1tnf s ALA 14 Ca -0.03 1.79 -0.03 0.00 0.00 0.00 0.00 51.96 53.68 1tnf s ALA 14 Cb -0.03 -1.04 0.12 0.00 0.00 0.00 0.00 23.12 22.16 1tnf s ALA 14 CO 0.02 -0.30 0.35 -1.58 0.00 0.00 0.00 175.76 174.24 1tnf s HIS 15 N 0.44 -0.70 -0.02 0.00 2.46 -0.21 -1.59 115.29 115.66 1tnf s HIS 15 Ca -0.01 0.78 0.04 0.00 0.47 0.00 0.00 55.06 56.34 1tnf s HIS 15 Cb -0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 32.58 32.37 1tnf s HIS 15 CO -0.01 -0.66 -0.14 0.54 -2.47 0.00 0.00 174.74 172.00 1tnf s VAL 16 N 2.50 1.16 0.17 0.89 0.11 0.95 -1.47 120.40 124.71 1tnf s VAL 16 Ca 0.10 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1tnf s VAL 16 Cb -0.15 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 1tnf s VAL 16 CO -0.14 0.34 0.31 0.68 -3.33 0.00 0.00 175.10 172.96 1tnf s VAL 17 N -0.13 5.30 0.00 2.04 -7.23 -1.10 -0.42 120.40 118.87 1tnf s VAL 17 Ca 0.01 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1tnf s VAL 17 Cb -0.08 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1tnf s VAL 17 CO 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 175.10 174.64 1tnf n ALA 18 N -0.73 0.00 -3.71 1.32 0.00 -1.11 0.91 120.51 117.19 1tnf n ALA 18 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1tnf n ALA 18 Cb 0.54 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.82 1tnf n ALA 18 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1tnf s ASN 19 N -1.15 1.90 -0.00 0.00 3.84 -0.59 -4.32 114.94 114.61 1tnf s ASN 19 Ca 0.00 -0.30 -0.00 0.00 0.21 0.00 0.00 52.86 52.77 1tnf s ASN 19 Cb 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 41.25 40.34 1tnf s ASN 19 CO 0.00 -0.26 1.88 -0.81 -2.79 0.00 0.00 177.10 175.12 1tnf n PRO 20 N 5.19 1.01 0.00 0.43 -0.04 -1.26 -2.87 135.00 137.45 1tnf n PRO 20 Ca -0.07 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1tnf n PRO 20 Cb 0.49 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1tnf n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1tnf n GLN 21 N 1.36 0.42 -2.01 0.54 3.00 -1.26 -4.95 117.38 114.49 1tnf n GLN 21 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.63 1tnf n GLN 21 Cb 0.50 -0.80 -0.04 0.00 0.00 0.00 0.00 30.24 29.91 1tnf n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1tnf n ALA 22 N -1.97 3.00 0.00 -1.58 0.00 -1.14 -4.84 120.51 113.98 1tnf n ALA 22 Ca 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1tnf n ALA 22 Cb 0.30 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.20 1tnf n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1tnf n GLU 23 N 7.84 0.00 -3.37 0.00 2.13 -1.26 -2.17 120.64 123.81 1tnf n GLU 23 Ca 0.48 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 58.12 1tnf n GLU 23 Cb 0.44 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.07 1tnf n GLU 23 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1tnf s GLY 24 N -2.26 0.02 0.32 8.31 0.00 -1.26 -5.01 107.32 107.43 1tnf s GLY 24 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1tnf s GLY 24 CO 0.00 2.68 0.00 -0.18 0.00 0.00 0.00 173.10 175.60 1tnf n GLN 25 N 4.42 0.00 -0.90 2.90 7.27 -0.92 -4.79 117.38 125.36 1tnf n GLN 25 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 1tnf n GLN 25 Cb 0.45 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.10 1tnf n GLN 25 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1tnf n LEU 26 N -3.20 -1.14 -4.71 1.69 7.94 -1.26 -4.87 117.00 111.45 1tnf n LEU 26 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 1tnf n LEU 26 Cb 0.00 -0.28 -0.04 0.00 0.53 0.00 0.00 43.42 43.62 1tnf n LEU 26 CO 0.00 0.00 0.43 -1.58 -1.11 0.00 0.00 177.39 175.13 1tnf s GLN 27 N -2.44 4.44 0.29 1.96 0.74 -1.26 -4.92 119.66 118.46 1tnf s GLN 27 Ca 0.00 0.93 -0.12 0.00 0.05 0.00 0.00 55.36 56.23 1tnf s GLN 27 Cb 0.00 -3.45 -0.08 0.00 1.10 0.00 0.00 33.01 30.58 1tnf s GLN 27 CO 0.00 0.04 0.65 -1.58 -0.55 0.00 0.00 175.29 173.84 1tnf s TRP 28 N 0.88 3.41 0.03 1.67 0.23 -1.26 -1.55 118.94 122.35 1tnf s TRP 28 Ca 0.39 1.02 0.05 0.00 -2.03 0.00 0.00 56.10 55.52 1tnf s TRP 28 Cb -0.18 -2.38 -0.02 0.00 0.03 0.00 0.00 33.47 30.92 1tnf s TRP 28 CO 0.19 0.16 -0.15 -1.17 0.96 0.00 0.00 176.95 176.93 1tnf s LEU 29 N -3.03 2.14 -0.02 2.99 1.98 0.26 -4.92 118.68 118.08 1tnf s LEU 29 Ca 0.50 -0.42 0.05 0.00 -2.89 0.00 0.00 54.13 51.37 1tnf s LEU 29 Cb -0.11 -0.68 -0.01 0.00 0.66 0.00 0.00 46.19 46.05 1tnf s LEU 29 CO 0.21 0.08 -0.19 0.21 -1.89 0.00 0.00 176.35 174.77 1tnf s ASN 30 N -0.98 2.22 0.00 3.68 2.47 -1.26 -2.69 114.94 118.38 1tnf s ASN 30 Ca 0.03 -0.35 0.00 0.00 0.42 0.00 0.00 52.86 52.96 1tnf s ASN 30 Cb -0.07 -0.35 0.00 0.00 -1.45 0.00 0.00 41.25 39.37 1tnf s ASN 30 CO 0.01 0.21 0.00 0.54 -3.72 0.00 0.00 177.10 174.14 1tnf n ARG 31 N 2.76 0.00 -1.30 0.43 1.74 -1.26 -5.10 116.66 113.94 1tnf n ARG 31 Ca -0.16 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.54 1tnf n ARG 31 Cb 0.53 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.00 1tnf n ARG 31 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1tnf n ARG 32 N -0.14 0.18 0.00 5.56 0.63 -1.26 -4.58 116.66 117.05 1tnf n ARG 32 Ca 0.00 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1tnf n ARG 32 Cb 0.00 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 31.63 1tnf n ARG 32 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tnf n ALA 33 N -1.71 0.00 -3.60 5.13 0.00 -1.26 -0.26 120.51 118.82 1tnf n ALA 33 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 1tnf n ALA 33 Cb 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 1tnf n ALA 33 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1tnf s ASN 34 N -4.14 3.66 -0.38 0.00 3.84 -1.26 -4.97 114.94 111.68 1tnf s ASN 34 Ca 0.00 -1.47 0.02 0.00 0.21 0.00 0.00 52.86 51.62 1tnf s ASN 34 Cb 0.00 -0.52 0.16 0.00 -0.55 0.00 0.00 41.25 40.34 1tnf s ASN 34 CO 0.00 -0.42 0.33 0.00 -2.79 0.00 0.00 177.10 174.22 1tnf s ALA 35 N 1.86 0.41 -0.19 1.71 0.00 0.65 -4.82 121.76 121.38 1tnf s ALA 35 Ca 0.10 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 1tnf s ALA 35 Cb -0.17 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 1tnf s ALA 35 CO -0.31 -2.10 1.40 -0.51 0.00 0.00 0.00 175.76 174.25 1tnf s LEU 36 N 0.92 4.08 -0.31 0.00 2.01 -0.54 -3.98 118.68 120.86 1tnf s LEU 36 Ca 0.22 1.66 -0.01 0.00 0.01 0.00 0.00 54.13 56.01 1tnf s LEU 36 Cb -0.13 -3.54 0.10 0.00 0.01 0.00 0.00 46.19 42.64 1tnf s LEU 36 CO -0.06 -0.96 0.10 -0.22 1.01 0.00 0.00 176.35 176.22 1tnf s LEU 37 N 4.12 2.31 0.07 1.79 2.96 -1.26 -1.04 118.68 127.63 1tnf s LEU 37 Ca 0.61 -1.65 -0.12 0.00 -0.22 0.00 0.00 54.13 52.75 1tnf s LEU 37 Cb -0.23 -0.89 0.02 0.00 0.50 0.00 0.00 46.19 45.59 1tnf s LEU 37 CO 0.22 -0.41 0.28 0.00 -1.32 0.00 0.00 176.35 175.12 1tnf s ALA 38 N 1.60 -0.58 -0.38 5.97 0.00 -1.12 -4.98 121.76 122.27 1tnf s ALA 38 Ca 0.10 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.67 1tnf s ALA 38 Cb -0.17 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.41 1tnf s ALA 38 CO -0.25 -0.48 0.43 0.27 0.00 0.00 0.00 175.76 175.74 1tnf n ASN 39 N 0.25 -3.52 0.00 0.00 6.94 -1.26 -3.16 115.26 114.51 1tnf n ASN 39 Ca -0.17 -0.29 0.00 0.00 -0.02 0.00 0.00 54.58 54.10 1tnf n ASN 39 Cb 0.61 -1.07 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 1tnf n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1tnf n GLY 40 N -0.49 2.92 3.78 4.83 0.00 -1.26 -3.65 105.19 111.32 1tnf n GLY 40 Ca -0.11 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1tnf n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tnf s VAL 41 N 0.00 3.44 0.10 1.61 0.11 -1.25 -4.41 120.40 120.00 1tnf s VAL 41 Ca 0.00 0.98 0.04 0.00 -2.93 0.00 0.00 61.98 60.08 1tnf s VAL 41 Cb 0.00 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 1tnf s VAL 41 CO 0.00 -0.11 -0.12 -1.61 -3.33 0.00 0.00 175.10 169.93 1tnf s GLU 42 N -2.96 0.87 -0.16 1.54 8.01 -1.01 -4.35 118.70 120.64 1tnf s GLU 42 Ca 0.66 -1.13 -0.06 0.00 0.01 0.00 0.00 54.97 54.45 1tnf s GLU 42 Cb -0.22 -0.66 -0.04 0.00 -4.31 0.00 0.00 34.13 28.90 1tnf s GLU 42 CO 0.27 0.12 0.04 -1.17 0.01 0.00 0.00 175.26 174.52 1tnf s LEU 43 N -2.31 3.69 0.00 1.80 2.96 -1.26 -0.61 118.68 122.95 1tnf s LEU 43 Ca 0.05 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1tnf s LEU 43 Cb -0.05 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.73 1tnf s LEU 43 CO 0.01 0.20 0.00 0.54 -1.32 0.00 0.00 176.35 175.78 1tnf n ARG 44 N 3.34 0.00 -2.49 1.98 5.12 -0.28 -4.94 116.66 119.39 1tnf n ARG 44 Ca -0.17 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.32 1tnf n ARG 44 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 1tnf n ARG 44 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1tnf n ASP 45 N 0.00 4.82 -1.46 0.55 8.00 -1.26 -3.93 116.55 123.28 1tnf n ASP 45 Ca 0.00 -2.93 -0.17 0.00 0.71 0.00 0.00 54.79 52.40 1tnf n ASP 45 Cb 0.00 -1.69 -0.06 0.00 -0.02 0.00 0.00 41.12 39.35 1tnf n ASP 45 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1tnf n ASN 46 N 7.31 -5.08 -4.16 -2.24 5.15 -1.26 -4.99 115.26 109.98 1tnf n ASN 46 Ca 0.47 0.33 -0.15 0.00 -0.60 0.00 0.00 54.58 54.64 1tnf n ASN 46 Cb 0.44 -4.11 -0.11 0.00 -0.53 0.00 0.00 39.78 35.47 1tnf n ASN 46 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1tnf s GLN 47 N -3.75 0.81 -0.29 1.20 -0.21 -1.25 -4.77 119.66 111.38 1tnf s GLN 47 Ca 0.00 -1.08 -0.18 0.00 0.02 0.00 0.00 55.36 54.11 1tnf s GLN 47 Cb 0.00 -0.55 -0.02 0.00 1.00 0.00 0.00 33.01 33.45 1tnf s GLN 47 CO 0.00 0.09 0.54 -0.51 -2.12 0.00 0.00 175.29 173.29 1tnf s LEU 48 N -2.25 4.15 -0.12 2.90 1.02 -1.14 -1.12 118.68 122.11 1tnf s LEU 48 Ca 0.03 0.35 -0.12 0.00 0.02 0.00 0.00 54.13 54.41 1tnf s LEU 48 Cb -0.05 -2.67 -0.05 0.00 0.02 0.00 0.00 46.19 43.44 1tnf s LEU 48 CO 0.00 -0.38 0.25 -0.69 0.02 0.00 0.00 176.35 175.56 1tnf s VAL 49 N 2.40 5.32 -0.20 -1.59 1.01 0.22 -1.24 120.40 126.32 1tnf s VAL 49 Ca 0.21 0.47 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 1tnf s VAL 49 Cb -0.15 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1tnf s VAL 49 CO 0.11 0.50 0.11 -0.69 0.00 0.00 0.00 175.10 175.13 1tnf s VAL 50 N -0.26 5.22 0.00 2.92 1.01 0.00 -2.40 120.40 126.89 1tnf s VAL 50 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1tnf s VAL 50 Cb -0.13 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1tnf s VAL 50 CO 0.05 0.44 0.00 -0.81 0.00 0.00 0.00 175.10 174.78 1tnf n PRO 51 N 3.56 3.34 0.00 2.72 -0.04 -1.26 -0.43 135.00 142.90 1tnf n PRO 51 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1tnf n PRO 51 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1tnf n PRO 51 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tnf n SER 52 N 0.00 0.00 0.00 3.54 7.64 -1.26 -3.75 113.62 119.79 1tnf n SER 52 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1tnf n SER 52 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1tnf n SER 52 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1tnf n GLU 53 N 0.00 0.00 0.00 1.43 2.13 -1.26 -3.62 120.64 119.32 1tnf n GLU 53 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1tnf n GLU 53 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1tnf n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tnf n GLY 54 N -1.82 1.25 3.42 8.31 0.00 -1.14 -4.87 105.19 110.33 1tnf n GLY 54 Ca 0.00 -1.96 -0.44 0.00 0.00 0.00 0.00 46.02 43.62 1tnf n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tnf s LEU 55 N 0.00 5.36 -0.11 0.99 1.02 -1.26 -0.19 118.68 124.49 1tnf s LEU 55 Ca 0.00 -1.14 -0.16 0.00 0.02 0.00 0.00 54.13 52.85 1tnf s LEU 55 Cb 0.00 -2.26 -0.05 0.00 0.02 0.00 0.00 46.19 43.90 1tnf s LEU 55 CO 0.00 -0.68 0.40 -0.31 0.02 0.00 0.00 176.35 175.77 1tnf s TYR 56 N 1.92 3.53 -0.04 0.29 1.51 0.22 -1.95 117.35 122.83 1tnf s TYR 56 Ca 0.07 0.80 -0.27 0.00 -1.01 0.00 0.00 57.07 56.66 1tnf s TYR 56 Cb -0.22 -2.43 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 1tnf s TYR 56 CO 0.09 0.28 0.88 -1.17 -1.11 0.00 0.00 175.55 174.51 1tnf s LEU 57 N 0.27 4.33 -0.02 -1.29 2.96 -0.57 -0.48 118.68 123.87 1tnf s LEU 57 Ca 0.22 1.46 0.07 0.00 -0.22 0.00 0.00 54.13 55.66 1tnf s LEU 57 Cb -0.15 -3.38 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 1tnf s LEU 57 CO 0.08 -0.23 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.03 1tnf s ILE 58 N 1.08 1.73 0.02 6.68 1.01 0.53 -1.27 121.20 130.98 1tnf s ILE 58 Ca 0.46 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 1tnf s ILE 58 Cb -0.19 -1.44 0.03 0.00 0.01 0.00 0.00 42.46 40.86 1tnf s ILE 58 CO 0.23 0.49 0.37 -0.72 0.00 0.00 0.00 174.94 175.31 1tnf s TYR 59 N -0.45 -0.22 0.11 3.97 -0.85 0.16 -0.62 117.35 119.44 1tnf s TYR 59 Ca 0.07 0.24 -0.25 0.00 -0.52 0.00 0.00 57.07 56.60 1tnf s TYR 59 Cb -0.09 0.16 0.08 0.00 0.38 0.00 0.00 41.96 42.49 1tnf s TYR 59 CO -0.00 -0.49 0.73 -1.54 -1.52 0.00 0.00 175.55 172.72 1tnf s SER 60 N -1.73 -0.46 -0.01 -0.18 1.04 -0.59 -0.68 113.70 111.10 1tnf s SER 60 Ca -0.08 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1tnf s SER 60 Cb -0.02 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.63 1tnf s SER 60 CO 0.01 -0.86 -0.01 -1.58 0.98 0.00 0.00 173.24 171.78 1tnf s GLN 61 N -3.51 0.12 -0.02 4.02 0.74 -0.74 -0.92 119.66 119.36 1tnf s GLN 61 Ca 0.03 0.00 0.06 0.00 0.05 0.00 0.00 55.36 55.51 1tnf s GLN 61 Cb -0.01 -0.19 -0.01 0.00 1.10 0.00 0.00 33.01 33.89 1tnf s GLN 61 CO -0.10 -0.02 -0.21 0.14 -0.55 0.00 0.00 175.29 174.55 1tnf s VAL 62 N 0.29 1.67 -0.27 1.34 -7.23 0.10 -1.13 120.40 115.17 1tnf s VAL 62 Ca -0.02 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 1tnf s VAL 62 Cb -0.04 -1.39 0.04 0.00 0.56 0.00 0.00 36.38 35.54 1tnf s VAL 62 CO -0.01 0.47 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.99 1tnf s LEU 63 N -0.39 3.43 0.03 1.32 2.96 -1.20 -0.90 118.68 123.92 1tnf s LEU 63 Ca 0.05 -1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 52.77 1tnf s LEU 63 Cb -0.09 -1.67 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 1tnf s LEU 63 CO -0.00 -0.17 0.47 -0.36 -1.32 0.00 0.00 176.35 174.96 1tnf s PHE 64 N 1.29 3.76 -0.10 5.38 0.40 -0.30 -2.85 117.98 125.56 1tnf s PHE 64 Ca -0.02 1.10 -0.01 0.00 -0.60 0.00 0.00 56.93 57.40 1tnf s PHE 64 Cb -0.18 -2.36 0.03 0.00 0.51 0.00 0.00 43.02 41.01 1tnf s PHE 64 CO -0.03 0.62 -0.05 0.21 0.70 0.00 0.00 175.22 176.67 1tnf s LYS 65 N -1.10 1.19 -0.03 0.44 2.20 -0.01 -1.03 119.74 121.41 1tnf s LYS 65 Ca 0.26 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 1tnf s LYS 65 Cb -0.18 -1.36 0.02 0.00 -1.51 0.00 0.00 37.83 34.81 1tnf s LYS 65 CO 0.16 -0.28 -0.00 0.20 -0.36 0.00 0.00 175.35 175.07 1tnf s GLY 66 N 1.78 0.22 -0.80 5.54 0.00 -1.10 -4.65 107.32 108.32 1tnf s GLY 66 Ca 0.05 0.14 -0.18 0.00 0.00 0.00 0.00 44.72 44.73 1tnf s GLY 66 CO -0.07 0.51 0.94 -0.86 0.00 0.00 0.00 173.10 173.62 1tnf s GLN 67 N 0.88 3.43 0.06 2.90 0.00 -1.26 -0.29 119.66 125.37 1tnf s GLN 67 Ca -0.09 -1.72 0.00 0.00 -0.00 0.00 0.00 55.36 53.55 1tnf s GLN 67 Cb -0.12 -4.60 0.00 0.00 0.00 0.00 0.00 33.01 28.29 1tnf s GLN 67 CO -0.02 -1.62 0.00 0.41 0.00 0.00 0.00 175.29 174.06 1tnf n GLY 68 N 5.10 -1.71 3.05 2.60 0.00 -1.25 -4.72 105.19 108.26 1tnf n GLY 68 Ca 0.11 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 1tnf n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tnf s PRO 70 N 2.46 1.67 0.65 0.00 0.02 -1.26 -3.38 135.00 135.15 1tnf s PRO 70 Ca 0.01 1.06 -0.18 0.00 0.02 0.00 0.00 61.00 61.91 1tnf s PRO 70 Cb -0.12 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 1tnf s PRO 70 CO -0.10 -2.02 1.20 0.45 -0.33 0.00 0.00 177.00 176.20 1tnf n SER 71 N -3.77 1.65 -0.61 2.53 2.88 -1.26 -4.76 113.62 110.28 1tnf n SER 71 Ca 0.08 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1tnf n SER 71 Cb 0.54 -1.51 -0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1tnf n SER 71 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1tnf n THR 72 N -1.95 -1.14 -1.70 2.46 -1.04 -1.26 -4.92 114.28 104.73 1tnf n THR 72 Ca 0.15 0.57 -0.43 0.00 -2.04 0.00 0.00 64.05 62.30 1tnf n THR 72 Cb 0.48 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 68.01 1tnf n THR 72 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1tnf n HIS 73 N -1.94 2.59 0.07 -1.42 -0.00 -1.26 -4.90 115.22 108.36 1tnf n HIS 73 Ca -0.00 0.13 -0.21 0.00 -0.00 0.00 0.00 57.72 57.64 1tnf n HIS 73 Cb 0.19 -2.63 -0.13 0.00 -0.00 0.00 0.00 29.99 27.42 1tnf n HIS 73 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1tnf h VAL 74 N 3.71 1.35 -4.51 3.57 3.04 -1.88 -3.50 116.25 118.02 1tnf h VAL 74 Ca -0.44 -2.40 0.00 0.00 -1.01 0.00 0.00 66.70 62.85 1tnf h VAL 74 Cb 1.22 2.77 0.00 0.00 -2.01 0.00 0.00 31.29 33.27 1tnf h VAL 74 CO 0.93 0.72 -0.29 -0.11 -1.01 0.00 0.00 177.57 177.80 1tnf n LEU 75 N -3.94 -2.95 -4.95 3.16 7.94 -1.26 -4.99 117.00 110.01 1tnf n LEU 75 Ca -0.13 0.51 -0.19 0.00 -1.11 0.00 0.00 56.01 55.08 1tnf n LEU 75 Cb 0.90 -1.09 -0.01 0.00 0.53 0.00 0.00 43.42 43.75 1tnf n LEU 75 CO 0.54 -1.56 0.03 -0.76 -1.11 0.00 0.00 177.39 174.53 1tnf s LEU 76 N -0.29 3.80 -0.14 -1.96 1.02 0.12 -4.94 118.68 116.28 1tnf s LEU 76 Ca 0.00 -0.33 -0.24 0.00 0.02 0.00 0.00 54.13 53.58 1tnf s LEU 76 Cb 0.00 -2.55 0.06 0.00 0.02 0.00 0.00 46.19 43.71 1tnf s LEU 76 CO 0.00 -0.46 0.59 -0.89 0.02 0.00 0.00 176.35 175.61 1tnf s THR 77 N -2.25 0.01 -0.11 5.49 2.01 -1.26 -1.81 115.64 117.72 1tnf s THR 77 Ca 0.45 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.35 1tnf s THR 77 Cb -0.08 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.61 1tnf s THR 77 CO 0.30 -0.04 0.16 -2.28 -0.69 0.00 0.00 174.62 172.07 1tnf s HIS 78 N -0.44 -0.16 0.16 4.92 2.46 -0.96 -2.63 115.29 118.64 1tnf s HIS 78 Ca -0.06 0.48 0.11 0.00 0.47 0.00 0.00 55.06 56.06 1tnf s HIS 78 Cb -0.03 -0.31 -0.04 0.00 -0.13 0.00 0.00 32.58 32.07 1tnf s HIS 78 CO 0.05 -0.33 -0.25 0.99 -2.47 0.00 0.00 174.74 172.73 1tnf s THR 79 N 2.28 2.22 -0.15 0.89 2.01 0.73 -2.37 115.64 121.25 1tnf s THR 79 Ca 0.04 -1.87 0.00 0.00 0.31 0.00 0.00 61.69 60.17 1tnf s THR 79 Cb -0.13 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.41 1tnf s THR 79 CO -0.07 -0.04 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.07 1tnf s ILE 80 N -1.40 1.50 0.08 1.82 1.01 -0.07 -0.55 121.20 123.59 1tnf s ILE 80 Ca 0.16 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.27 1tnf s ILE 80 Cb -0.09 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1tnf s ILE 80 CO 0.07 0.40 -0.26 -0.94 0.00 0.00 0.00 174.94 174.21 1tnf s SER 81 N 1.51 3.19 -0.30 3.58 1.04 -0.28 -1.53 113.70 120.90 1tnf s SER 81 Ca 0.04 -0.65 -0.11 0.00 0.48 0.00 0.00 55.95 55.71 1tnf s SER 81 Cb -0.13 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1tnf s SER 81 CO -0.10 0.22 0.20 -0.60 0.98 0.00 0.00 173.24 173.94 1tnf s ARG 82 N -1.56 3.76 -0.39 4.02 3.00 -0.48 -0.50 118.95 126.78 1tnf s ARG 82 Ca 0.12 -0.45 -0.18 0.00 -1.00 0.00 0.00 55.73 54.22 1tnf s ARG 82 Cb -0.10 -3.69 0.01 0.00 0.00 0.00 0.00 34.95 31.17 1tnf s ARG 82 CO 0.04 -0.28 0.49 0.96 0.00 0.00 0.00 175.30 176.51 1tnf s ILE 83 N 1.73 5.03 0.37 4.11 -4.36 0.24 -1.48 121.20 126.84 1tnf s ILE 83 Ca 0.07 -0.02 -0.27 0.00 -0.26 0.00 0.00 60.65 60.17 1tnf s ILE 83 Cb -0.16 -4.02 -0.09 0.00 1.25 0.00 0.00 42.46 39.43 1tnf s ILE 83 CO 0.10 -0.36 1.28 0.00 0.24 0.00 0.00 174.94 176.20 1tnf s ALA 84 N 2.33 3.35 -2.37 2.27 0.00 -0.89 -2.01 121.76 124.45 1tnf s ALA 84 Ca 0.16 1.20 0.24 0.00 0.00 0.00 0.00 51.96 53.55 1tnf s ALA 84 Cb -0.16 -3.46 0.20 0.00 0.00 0.00 0.00 23.12 19.70 1tnf s ALA 84 CO 0.14 -0.68 1.24 1.55 0.00 0.00 0.00 175.76 178.01 1tnf n VAL 85 N 0.46 0.00 0.00 0.00 3.14 -1.26 -3.27 118.33 117.40 1tnf n VAL 85 Ca 0.02 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1tnf n VAL 85 Cb 0.43 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 34.42 1tnf n VAL 85 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1tnf n SER 86 N 0.40 0.00 -4.57 6.55 3.41 -1.26 -4.63 113.62 113.52 1tnf n SER 86 Ca 0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 1tnf n SER 86 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 1tnf n SER 86 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1tnf s TYR 87 N 0.68 2.45 0.00 7.33 -0.85 -1.26 -4.90 117.35 120.80 1tnf s TYR 87 Ca 0.00 0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.82 1tnf s TYR 87 Cb 0.00 -4.54 0.00 0.00 0.38 0.00 0.00 41.96 37.80 1tnf s TYR 87 CO 0.00 -1.80 0.00 1.04 -1.52 0.00 0.00 175.55 173.27 1tnf n GLN 88 N 8.79 -0.20 0.00 -3.49 6.02 -1.25 -4.57 117.38 122.67 1tnf n GLN 88 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1tnf n GLN 88 Cb 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 1tnf n GLN 88 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1tnf n THR 89 N -1.70 0.00 -2.22 5.09 5.66 -1.20 -4.70 114.28 115.20 1tnf n THR 89 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1tnf n THR 89 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1tnf n THR 89 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1tnf s LYS 90 N -2.47 4.22 -0.10 1.09 1.02 -1.26 -2.09 119.74 120.14 1tnf s LYS 90 Ca 0.00 1.93 -0.03 0.00 0.02 0.00 0.00 55.97 57.88 1tnf s LYS 90 Cb 0.00 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 1tnf s LYS 90 CO 0.00 -0.75 0.03 0.54 -0.92 0.00 0.00 175.35 174.26 1tnf s VAL 91 N 3.58 4.58 -0.03 3.17 0.11 -0.55 -4.96 120.40 126.30 1tnf s VAL 91 Ca 0.64 -0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 59.31 1tnf s VAL 91 Cb -0.28 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.57 1tnf s VAL 91 CO 0.23 0.59 0.74 0.21 -3.33 0.00 0.00 175.10 173.54 1tnf s ASN 92 N -0.76 7.08 -0.07 3.54 2.47 -1.26 -1.38 114.94 124.55 1tnf s ASN 92 Ca 0.12 1.30 -0.05 0.00 0.42 0.00 0.00 52.86 54.65 1tnf s ASN 92 Cb -0.12 -2.44 -0.04 0.00 -1.45 0.00 0.00 41.25 37.21 1tnf s ASN 92 CO 0.02 -0.10 -0.12 0.18 -3.72 0.00 0.00 177.10 173.37 1tnf n LEU 93 N 3.55 0.79 -4.03 3.21 4.77 -0.82 -4.93 117.00 119.54 1tnf n LEU 93 Ca -0.01 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1tnf n LEU 93 Cb 0.51 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 1tnf n LEU 93 CO 0.48 0.04 -0.37 -0.76 -1.33 0.00 0.00 177.39 175.44 1tnf s LEU 94 N -6.66 2.29 -0.24 2.23 1.43 -0.59 -5.01 118.68 112.14 1tnf s LEU 94 Ca -0.12 -0.61 -0.34 0.00 -1.03 0.00 0.00 54.13 52.03 1tnf s LEU 94 Cb 0.04 0.03 0.16 0.00 0.03 0.00 0.00 46.19 46.45 1tnf s LEU 94 CO 0.16 -0.32 1.28 -0.94 0.23 0.00 0.00 176.35 176.76 1tnf s SER 95 N -1.77 -0.09 0.01 2.29 1.04 -1.26 -0.89 113.70 113.03 1tnf s SER 95 Ca -0.10 0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 1tnf s SER 95 Cb -0.07 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 1tnf s SER 95 CO -0.02 -0.13 0.10 0.00 0.98 0.00 0.00 173.24 174.17 1tnf s ALA 96 N -1.82 -0.20 0.01 5.32 0.00 -1.00 -4.98 121.76 119.09 1tnf s ALA 96 Ca 0.09 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1tnf s ALA 96 Cb -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1tnf s ALA 96 CO -0.05 -0.22 -0.03 0.42 0.00 0.00 0.00 175.76 175.89 1tnf s ILE 97 N -1.59 3.89 -0.13 0.00 1.01 -1.26 -2.27 121.20 120.85 1tnf s ILE 97 Ca -0.14 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 1tnf s ILE 97 Cb -0.07 -2.73 0.05 0.00 0.01 0.00 0.00 42.46 39.72 1tnf s ILE 97 CO 0.00 0.35 0.30 -0.54 0.00 0.00 0.00 174.94 175.05 1tnf s LYS 98 N -1.60 0.25 -0.52 2.79 1.02 -0.75 -5.01 119.74 115.91 1tnf s LYS 98 Ca 0.19 0.65 -0.07 0.00 0.02 0.00 0.00 55.97 56.76 1tnf s LYS 98 Cb -0.11 -0.07 0.14 0.00 -0.52 0.00 0.00 37.83 37.27 1tnf s LYS 98 CO 0.10 -0.18 0.38 -1.12 -0.92 0.00 0.00 175.35 173.61 1tnf s SER 99 N 1.52 5.64 0.00 2.83 0.01 -1.26 0.11 113.70 122.55 1tnf s SER 99 Ca -0.08 -2.19 0.28 0.00 1.31 0.00 0.00 55.95 55.27 1tnf s SER 99 Cb -0.10 -1.97 1.38 0.00 0.21 0.00 0.00 66.02 65.54 1tnf s SER 99 CO -0.10 -0.59 1.94 -0.81 0.41 0.00 0.00 173.24 174.09 1tnf n PRO 100 N 4.49 0.36 -3.78 12.44 -0.04 -1.26 -4.70 135.00 142.51 1tnf n PRO 100 Ca -0.02 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.25 1tnf n PRO 100 Cb 0.41 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.19 1tnf n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tnf s GLN 102 N 1.89 4.14 -0.09 0.00 -1.52 -1.26 -4.80 119.66 118.01 1tnf s GLN 102 Ca 0.03 0.98 -0.34 0.00 -1.95 0.00 0.00 55.36 54.08 1tnf s GLN 102 Cb -0.12 -2.25 -0.12 0.00 -0.22 0.00 0.00 33.01 30.31 1tnf s GLN 102 CO -0.04 -0.00 1.90 0.54 -0.25 0.00 0.00 175.29 177.43 1tnf n ARG 103 N -0.66 2.19 0.00 2.91 1.74 -1.26 -4.67 116.66 116.91 1tnf n ARG 103 Ca 0.06 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1tnf n ARG 103 Cb 0.54 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 1tnf n ARG 103 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1tnf n GLU 104 N 6.75 0.00 -3.93 5.56 2.13 -1.26 -5.12 120.64 124.78 1tnf n GLU 104 Ca 0.23 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.70 1tnf n GLU 104 Cb 0.30 -0.11 0.01 0.00 0.27 0.00 0.00 31.44 31.91 1tnf n GLU 104 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1tnf n THR 105 N -2.46 -3.08 -0.02 6.31 -2.24 -1.25 -4.62 114.28 106.92 1tnf n THR 105 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1tnf n THR 105 Cb 0.06 -2.65 0.00 0.00 -2.10 0.00 0.00 70.33 65.63 1tnf n THR 105 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1tnf n PRO 106 N -3.76 0.00 0.00 -0.78 -0.02 -1.22 -4.83 135.00 124.40 1tnf n PRO 106 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1tnf n PRO 106 Cb 0.63 -0.02 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 1tnf n PRO 106 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1tnf n GLU 107 N 0.06 0.00 0.00 -0.52 0.28 -1.26 -4.15 120.64 115.05 1tnf n GLU 107 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1tnf n GLU 107 Cb 0.00 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 32.78 1tnf n GLU 107 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tnf n GLY 108 N 2.80 0.00 3.20 -1.84 0.00 -1.26 -0.87 105.19 107.21 1tnf n GLY 108 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1tnf n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tnf s ALA 109 N 0.00 4.29 -0.05 4.61 0.00 -1.26 -4.98 121.76 124.37 1tnf s ALA 109 Ca 0.00 -3.71 -0.25 0.00 0.00 0.00 0.00 51.96 47.99 1tnf s ALA 109 Cb 0.00 -3.10 -0.12 0.00 0.00 0.00 0.00 23.12 19.89 1tnf s ALA 109 CO 0.00 -2.17 0.71 -1.91 0.00 0.00 0.00 175.76 172.39 1tnf n GLU 110 N 2.77 0.00 -0.83 0.00 0.00 -0.05 -4.27 120.64 118.25 1tnf n GLU 110 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.35 1tnf n GLU 110 Cb 0.39 -0.93 0.00 0.00 0.00 0.00 0.00 31.44 30.90 1tnf n GLU 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1tnf n ALA 111 N 1.17 -1.03 -3.05 4.31 0.00 -1.26 -5.01 120.51 115.65 1tnf n ALA 111 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 1tnf n ALA 111 Cb 0.04 -0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1tnf n ALA 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1tnf s LYS 112 N -0.05 3.43 0.36 0.00 0.00 -1.26 -4.58 119.74 117.64 1tnf s LYS 112 Ca 0.01 -0.65 -0.26 0.00 0.00 0.00 0.00 55.97 55.06 1tnf s LYS 112 Cb -0.00 -2.68 -0.12 0.00 0.00 0.00 0.00 37.83 35.03 1tnf s LYS 112 CO 0.01 0.23 0.99 -0.35 0.00 0.00 0.00 175.35 176.23 1tnf n PRO 113 N 3.51 1.34 -4.00 1.78 -0.04 -1.26 -3.97 135.00 132.36 1tnf n PRO 113 Ca -0.18 0.48 -0.21 0.00 -0.04 0.00 0.00 63.50 63.54 1tnf n PRO 113 Cb 0.53 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 32.02 1tnf n PRO 113 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1tnf s TRP 114 N -1.18 3.09 -0.02 0.54 1.48 0.61 -4.92 118.94 118.55 1tnf s TRP 114 Ca 0.61 -0.15 -0.00 0.00 -1.06 0.00 0.00 56.10 55.49 1tnf s TRP 114 Cb -0.63 -1.53 0.02 0.00 -1.16 0.00 0.00 33.47 30.17 1tnf s TRP 114 CO 0.59 0.41 0.02 0.71 -4.06 0.00 0.00 176.95 174.62 1tnf s TYR 115 N -2.16 0.02 -0.30 1.66 1.51 -1.26 -2.69 117.35 114.12 1tnf s TYR 115 Ca 0.35 0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 56.50 1tnf s TYR 115 Cb -0.08 -0.18 0.10 0.00 -0.11 0.00 0.00 41.96 41.69 1tnf s TYR 115 CO 0.26 -0.07 0.10 -2.00 -1.11 0.00 0.00 175.55 172.73 1tnf s GLU 116 N 0.82 0.65 0.31 -0.62 2.56 -0.20 -5.02 118.70 117.21 1tnf s GLU 116 Ca -0.07 -1.00 -0.27 0.00 0.00 0.00 0.00 54.97 53.64 1tnf s GLU 116 Cb -0.10 -1.89 -0.10 0.00 2.00 0.00 0.00 34.13 34.04 1tnf s GLU 116 CO -0.02 -0.98 0.95 -1.25 -0.56 0.00 0.00 175.26 173.40 1tnf s PRO 117 N 1.68 4.61 -0.03 4.30 0.04 -1.26 -1.15 135.00 143.19 1tnf s PRO 117 Ca 0.09 1.37 0.03 0.00 0.04 0.00 0.00 61.00 62.54 1tnf s PRO 117 Cb -0.17 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.50 1tnf s PRO 117 CO -0.26 0.30 -0.13 0.42 0.04 0.00 0.00 177.00 177.36 1tnf s ILE 118 N -1.54 1.10 -0.01 0.56 1.01 -0.08 -4.96 121.20 117.29 1tnf s ILE 118 Ca 0.49 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1tnf s ILE 118 Cb -0.20 -0.96 -0.00 0.00 0.01 0.00 0.00 42.46 41.31 1tnf s ILE 118 CO 0.26 0.33 -0.07 -0.47 0.00 0.00 0.00 174.94 174.98 1tnf s TYR 119 N 0.08 0.67 0.05 3.97 5.04 -1.26 -0.72 117.35 125.18 1tnf s TYR 119 Ca -0.03 -0.13 0.08 0.00 -2.44 0.00 0.00 57.07 54.55 1tnf s TYR 119 Cb -0.10 -0.45 -0.03 0.00 0.35 0.00 0.00 41.96 41.74 1tnf s TYR 119 CO 0.01 -0.03 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.46 1tnf s LEU 120 N -0.05 2.19 -0.18 6.97 1.43 -0.09 -5.01 118.68 123.94 1tnf s LEU 120 Ca 0.01 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 1tnf s LEU 120 Cb -0.04 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.21 1tnf s LEU 120 CO -0.00 0.16 0.47 -0.83 0.23 0.00 0.00 176.35 176.39 1tnf s GLY 121 N -1.31 -0.37 -0.30 -3.19 0.00 -1.26 -1.53 107.32 99.37 1tnf s GLY 121 Ca 0.08 1.46 -0.27 0.00 0.00 0.00 0.00 44.72 46.00 1tnf s GLY 121 CO 0.02 1.37 1.43 -0.32 0.00 0.00 0.00 173.10 175.61 1tnf s GLY 122 N 0.63 0.27 -0.37 0.20 0.00 0.21 -4.97 107.32 103.28 1tnf s GLY 122 Ca -0.03 3.27 -0.12 0.00 0.00 0.00 0.00 44.72 47.84 1tnf s GLY 122 CO -0.04 1.56 0.22 0.14 0.00 0.00 0.00 173.10 174.98 1tnf s VAL 123 N -0.47 4.73 -0.01 1.40 1.01 -1.26 -0.35 120.40 125.45 1tnf s VAL 123 Ca 0.09 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1tnf s VAL 123 Cb -0.03 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1tnf s VAL 123 CO -0.13 -0.20 -0.15 -0.36 0.00 0.00 0.00 175.10 174.26 1tnf s PHE 124 N 1.59 1.35 -0.27 5.22 0.40 0.36 -4.97 117.98 121.67 1tnf s PHE 124 Ca 0.03 -0.26 -0.29 0.00 -0.60 0.00 0.00 56.93 55.81 1tnf s PHE 124 Cb -0.19 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 1tnf s PHE 124 CO 0.07 -0.02 1.60 -1.14 0.70 0.00 0.00 175.22 176.44 1tnf s GLN 125 N -0.38 3.69 0.21 0.44 2.00 -1.26 0.71 119.66 125.06 1tnf s GLN 125 Ca 0.06 1.50 0.02 0.00 -2.00 0.00 0.00 55.36 54.94 1tnf s GLN 125 Cb -0.06 -4.05 0.02 0.00 0.80 0.00 0.00 33.01 29.72 1tnf s GLN 125 CO -0.01 -1.42 0.19 1.28 -0.50 0.00 0.00 175.29 174.83 1tnf n LEU 126 N 8.79 0.00 -3.72 3.68 4.77 0.74 -4.96 117.00 126.30 1tnf n LEU 126 Ca 0.19 -1.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.01 1tnf n LEU 126 Cb 0.46 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 1tnf n LEU 126 CO 0.66 -0.43 0.11 -0.70 -1.33 0.00 0.00 177.39 175.70 1tnf s GLU 127 N -2.87 0.58 -0.46 3.23 2.12 -1.26 -2.86 118.70 117.17 1tnf s GLU 127 Ca 0.14 0.37 -0.41 0.00 0.36 0.00 0.00 54.97 55.44 1tnf s GLU 127 Cb -0.01 0.28 -0.18 0.00 0.26 0.00 0.00 34.13 34.48 1tnf s GLU 127 CO 0.09 -0.11 1.96 1.17 -0.54 0.00 0.00 175.26 177.84 1tnf n LYS 128 N 2.31 0.00 -0.05 4.30 4.81 -1.24 -0.64 118.16 127.65 1tnf n LYS 128 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1tnf n LYS 128 Cb 0.57 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1tnf n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tnf n GLY 129 N 6.83 0.44 3.76 3.14 0.00 0.43 -4.99 105.19 114.79 1tnf n GLY 129 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 1tnf n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tnf s ASP 130 N -2.74 5.80 0.09 1.61 -0.00 0.19 -4.56 116.67 117.06 1tnf s ASP 130 Ca 0.00 2.72 0.02 0.00 -0.00 0.00 0.00 52.55 55.29 1tnf s ASP 130 Cb 0.00 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.24 1tnf s ASP 130 CO 0.00 -1.21 0.18 -0.13 -0.00 0.00 0.00 175.17 174.02 1tnf s ARG 131 N -2.60 3.25 -0.09 8.23 3.00 -0.85 -0.82 118.95 129.07 1tnf s ARG 131 Ca 0.64 -0.58 0.00 0.00 0.00 0.00 0.00 55.73 55.80 1tnf s ARG 131 Cb -0.39 -2.91 0.02 0.00 0.00 0.00 0.00 34.95 31.67 1tnf s ARG 131 CO 0.49 0.57 -0.07 -1.17 0.00 0.00 0.00 175.30 175.11 1tnf s LEU 132 N -2.69 1.23 -0.13 2.53 2.96 -0.38 -0.59 118.68 121.62 1tnf s LEU 132 Ca 0.33 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1tnf s LEU 132 Cb -0.12 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 1tnf s LEU 132 CO 0.26 -0.09 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.54 1tnf s SER 133 N 1.41 4.10 -0.29 3.68 0.15 0.34 -2.90 113.70 120.20 1tnf s SER 133 Ca -0.01 -0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 1tnf s SER 133 Cb -0.13 -1.62 0.02 0.00 -1.71 0.00 0.00 66.02 62.58 1tnf s SER 133 CO -0.04 0.17 0.05 0.00 1.20 0.00 0.00 173.24 174.62 1tnf s ALA 134 N 0.32 2.98 0.10 5.45 0.00 -1.26 -1.12 121.76 128.24 1tnf s ALA 134 Ca -0.10 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 50.45 1tnf s ALA 134 Cb -0.16 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1tnf s ALA 134 CO 0.05 -0.95 -0.19 -1.21 0.00 0.00 0.00 175.76 173.47 1tnf s GLU 135 N 1.45 1.08 0.27 0.00 2.02 0.29 -4.97 118.70 118.83 1tnf s GLU 135 Ca 0.01 -1.16 0.12 0.00 0.02 0.00 0.00 54.97 53.96 1tnf s GLU 135 Cb -0.17 -1.26 -0.05 0.00 0.10 0.00 0.00 34.13 32.75 1tnf s GLU 135 CO 0.01 0.28 -0.18 0.96 0.02 0.00 0.00 175.26 176.35 1tnf s ILE 136 N -1.34 2.58 -0.83 -1.63 -4.36 -1.26 -0.19 121.20 114.17 1tnf s ILE 136 Ca 0.06 -2.29 0.23 0.00 -0.26 0.00 0.00 60.65 58.39 1tnf s ILE 136 Cb -0.09 -2.34 -0.10 0.00 1.25 0.00 0.00 42.46 41.18 1tnf s ILE 136 CO 0.04 -0.36 1.14 -0.46 0.24 0.00 0.00 174.94 175.54 1tnf n ASN 137 N -0.52 0.66 -3.49 4.36 6.94 -1.08 -4.63 115.26 117.49 1tnf n ASN 137 Ca -0.06 -0.40 -0.28 0.00 -0.02 0.00 0.00 54.58 53.82 1tnf n ASN 137 Cb 0.59 0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 38.54 1tnf n ASN 137 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1tnf s ARG 138 N -3.08 1.04 0.00 -3.83 0.52 -1.26 -4.95 118.95 107.39 1tnf s ARG 138 Ca 0.07 -2.07 0.15 0.00 -0.52 0.00 0.00 55.73 53.37 1tnf s ARG 138 Cb 0.16 -1.70 0.91 0.00 0.52 0.00 0.00 34.95 34.83 1tnf s ARG 138 CO 0.78 -1.32 1.35 -0.35 0.02 0.00 0.00 175.30 175.78 1tnf n PRO 139 N 3.07 0.45 -0.02 3.54 -0.04 -1.26 -2.69 135.00 138.04 1tnf n PRO 139 Ca 0.23 0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1tnf n PRO 139 Cb 0.43 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1tnf n PRO 139 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1tnf h ASP 140 N 0.00 0.65 -0.20 3.54 3.04 -1.92 -3.31 116.42 118.21 1tnf h ASP 140 Ca 0.00 -0.28 -0.11 0.00 -3.24 0.00 0.00 57.03 53.40 1tnf h ASP 140 Cb 0.02 -0.18 -0.06 0.00 -1.04 0.00 0.00 39.33 38.06 1tnf h ASP 140 CO 0.00 0.96 0.14 -1.22 -2.04 0.00 0.00 179.24 177.08 1tnf n TYR 141 N -4.04 0.62 -3.50 4.15 0.53 -1.09 -4.88 117.16 108.94 1tnf n TYR 141 Ca -0.02 -0.81 -0.37 0.00 -1.02 0.00 0.00 57.90 55.69 1tnf n TYR 141 Cb 0.51 -0.41 -0.07 0.00 -1.03 0.00 0.00 39.34 38.34 1tnf n TYR 141 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1tnf s LEU 142 N -0.67 4.23 0.41 7.72 1.43 -1.25 -0.83 118.68 129.72 1tnf s LEU 142 Ca 0.12 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 1tnf s LEU 142 Cb 0.10 -2.41 -0.08 0.00 0.03 0.00 0.00 46.19 43.83 1tnf s LEU 142 CO 0.02 0.06 0.82 -0.22 0.23 0.00 0.00 176.35 177.26 1tnf s LEU 143 N 0.64 3.84 -0.27 1.79 0.20 -1.13 -4.85 118.68 118.89 1tnf s LEU 143 Ca 0.17 1.29 0.01 0.00 0.69 0.00 0.00 54.13 56.29 1tnf s LEU 143 Cb -0.13 -4.17 0.05 0.00 -0.43 0.00 0.00 46.19 41.51 1tnf s LEU 143 CO 0.05 -0.40 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.28 1tnf s PHE 144 N -2.34 3.21 -0.36 5.38 0.08 -1.26 -4.90 117.98 117.79 1tnf s PHE 144 Ca 0.54 -2.03 0.05 0.00 0.12 0.00 0.00 56.93 55.60 1tnf s PHE 144 Cb -0.10 -2.00 0.30 0.00 -0.57 0.00 0.00 43.02 40.65 1tnf s PHE 144 CO 0.27 -0.83 1.30 0.00 -0.10 0.00 0.00 175.22 175.86 1tnf n ALA 145 N 4.54 -2.32 -2.64 5.36 0.00 -1.26 -5.13 120.51 119.06 1tnf n ALA 145 Ca -0.15 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.18 1tnf n ALA 145 Cb 0.44 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 1tnf n ALA 145 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1tnf s GLU 146 N 0.10 4.47 0.00 0.00 8.01 -1.26 -4.75 118.70 125.27 1tnf s GLU 146 Ca 0.19 1.49 0.00 0.00 0.01 0.00 0.00 54.97 56.65 1tnf s GLU 146 Cb 0.28 -3.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.61 1tnf s GLU 146 CO -0.14 -0.21 0.00 -1.13 0.01 0.00 0.00 175.26 173.79 1tnf n SER 147 N 4.43 0.00 -1.04 -0.19 3.41 -1.26 -4.96 113.62 114.00 1tnf n SER 147 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1tnf n SER 147 Cb 0.49 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1tnf n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tnf n GLY 148 N -1.02 1.97 0.01 5.00 0.00 -1.26 -3.55 105.19 106.34 1tnf n GLY 148 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1tnf n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1tnf n GLN 149 N 0.60 1.40 -3.71 1.61 7.27 -1.26 -4.89 117.38 118.41 1tnf n GLN 149 Ca 0.00 0.01 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1tnf n GLN 149 Cb 0.48 -1.05 -0.15 0.00 2.41 0.00 0.00 30.24 31.93 1tnf n GLN 149 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1tnf s VAL 150 N -2.05 0.68 0.17 1.69 1.01 -1.23 -3.27 120.40 117.40 1tnf s VAL 150 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1tnf s VAL 150 Cb 0.01 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1tnf s VAL 150 CO 0.06 -0.60 0.06 -0.72 0.00 0.00 0.00 175.10 173.90 1tnf s TYR 151 N 1.73 1.09 -0.01 5.22 1.13 -0.29 -2.75 117.35 123.47 1tnf s TYR 151 Ca 0.08 -1.19 -0.02 0.00 -1.41 0.00 0.00 57.07 54.52 1tnf s TYR 151 Cb -0.17 -0.60 -0.00 0.00 -1.10 0.00 0.00 41.96 40.09 1tnf s TYR 151 CO -0.24 -0.43 0.04 0.12 -2.51 0.00 0.00 175.55 172.53 1tnf s PHE 152 N -3.92 0.02 -0.05 -3.49 5.99 0.44 -1.79 117.98 115.18 1tnf s PHE 152 Ca 0.28 -0.03 -0.30 0.00 0.00 0.00 0.00 56.93 56.88 1tnf s PHE 152 Cb 0.07 -0.03 0.11 0.00 0.00 0.00 0.00 43.02 43.17 1tnf s PHE 152 CO 0.05 -0.09 0.96 0.20 -0.00 0.00 0.00 175.22 176.34 1tnf s GLY 153 N -0.44 -0.42 0.03 13.12 0.00 0.14 -0.04 107.32 119.72 1tnf s GLY 153 Ca -0.05 1.22 -0.01 0.00 0.00 0.00 0.00 44.72 45.88 1tnf s GLY 153 CO -0.00 0.44 -0.00 -0.26 0.00 0.00 0.00 173.10 173.28 1tnf s ILE 154 N -2.79 0.13 -0.14 0.90 -4.36 -0.62 0.40 121.20 114.71 1tnf s ILE 154 Ca 0.05 -1.08 -0.13 0.00 -0.26 0.00 0.00 60.65 59.23 1tnf s ILE 154 Cb -0.01 -0.58 0.04 0.00 1.25 0.00 0.00 42.46 43.16 1tnf s ILE 154 CO -0.07 -0.60 0.38 -0.51 0.24 0.00 0.00 174.94 174.39 1tnf s ILE 155 N -2.04 -0.00 0.10 8.37 2.07 -0.39 -0.68 121.20 128.62 1tnf s ILE 155 Ca -0.10 0.01 -0.27 0.00 -1.41 0.00 0.00 60.65 58.88 1tnf s ILE 155 Cb -0.05 -0.54 -0.06 0.00 0.13 0.00 0.00 42.46 41.93 1tnf s ILE 155 CO -0.03 0.00 0.83 0.00 -1.91 0.00 0.00 174.94 173.84 1tnf s ALA 156 N 0.29 3.35 -0.33 1.50 0.00 -0.96 -1.52 121.76 124.08 1tnf s ALA 156 Ca -0.01 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1tnf s ALA 156 Cb -0.03 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1tnf s ALA 156 CO -0.00 0.09 0.58 1.28 0.00 0.00 0.00 175.76 177.71