#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnf n THR 7 N 0.00 2.35 0.00 8.89 -1.04 -1.26 -4.64 114.28 118.59 1tnf n THR 7 Ca 0.00 -4.91 0.00 0.00 -2.04 0.00 0.00 64.05 57.10 1tnf n THR 7 Cb 0.00 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1tnf n THR 7 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1tnf n PRO 8 N -0.41 0.00 0.00 -2.82 -0.02 -1.26 -5.07 135.00 125.43 1tnf n PRO 8 Ca 0.36 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1tnf n PRO 8 Cb 0.63 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 1tnf n PRO 8 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1tnf n SER 9 N -0.98 0.00 -3.66 2.55 2.88 -1.26 -5.01 113.62 108.13 1tnf n SER 9 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1tnf n SER 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1tnf n SER 9 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1tnf n ASP 10 N 0.00 6.42 -4.26 -3.46 4.64 -1.26 -4.88 116.55 113.76 1tnf n ASP 10 Ca 0.00 -3.58 -0.32 0.00 -1.38 0.00 0.00 54.79 49.51 1tnf n ASP 10 Cb 0.00 -1.09 -0.17 0.00 -1.04 0.00 0.00 41.12 38.82 1tnf n ASP 10 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1tnf s LYS 11 N -3.56 2.82 -0.08 -0.67 -0.14 -1.26 -5.08 119.74 111.76 1tnf s LYS 11 Ca 0.37 -0.88 -0.36 0.00 -1.36 0.00 0.00 55.97 53.75 1tnf s LYS 11 Cb 0.15 -2.26 -0.13 0.00 -1.68 0.00 0.00 37.83 33.91 1tnf s LYS 11 CO -0.04 0.29 1.75 -2.30 -0.76 0.00 0.00 175.35 174.29 1tnf n PRO 12 N 3.22 1.82 -3.85 -1.68 -0.01 -1.26 -4.44 135.00 128.81 1tnf n PRO 12 Ca -0.18 0.67 -0.12 0.00 -0.01 0.00 0.00 63.50 63.86 1tnf n PRO 12 Cb 0.52 -2.44 -0.10 0.00 -0.01 0.00 0.00 33.50 31.48 1tnf n PRO 12 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1tnf s VAL 13 N 3.12 0.07 0.01 -1.45 0.11 -1.18 -2.56 120.40 118.52 1tnf s VAL 13 Ca 0.91 -0.61 -0.16 0.00 -2.93 0.00 0.00 61.98 59.19 1tnf s VAL 13 Cb -0.81 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 33.61 1tnf s VAL 13 CO 0.53 -0.33 0.35 0.00 -3.33 0.00 0.00 175.10 172.31 1tnf s ALA 14 N -1.28 -0.85 -0.48 1.54 0.00 0.15 -2.57 121.76 118.27 1tnf s ALA 14 Ca -0.14 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.17 1tnf s ALA 14 Cb -0.07 0.19 0.20 0.00 0.00 0.00 0.00 23.12 23.44 1tnf s ALA 14 CO 0.02 -0.34 0.65 1.58 0.00 0.00 0.00 175.76 177.66 1tnf n HIS 15 N 0.91 -2.80 -3.26 0.00 -0.00 -0.98 -2.15 115.22 106.95 1tnf n HIS 15 Ca -0.20 -2.06 -0.39 0.00 0.46 0.00 0.00 57.72 55.53 1tnf n HIS 15 Cb 0.58 1.07 -0.06 0.00 -0.12 0.00 0.00 29.99 31.46 1tnf n HIS 15 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1tnf s VAL 16 N 0.49 4.82 0.30 3.57 -7.23 0.66 -3.36 120.40 119.65 1tnf s VAL 16 Ca 0.31 1.21 0.00 0.00 -1.81 0.00 0.00 61.98 61.70 1tnf s VAL 16 Cb 0.06 -3.90 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 1tnf s VAL 16 CO -0.12 0.50 0.50 0.54 -0.31 0.00 0.00 175.10 176.21 1tnf s VAL 17 N -0.73 5.13 0.23 1.32 0.11 -0.09 -0.58 120.40 125.79 1tnf s VAL 17 Ca 0.29 -0.47 -0.18 0.00 -2.93 0.00 0.00 61.98 58.70 1tnf s VAL 17 Cb -0.19 -3.83 -0.08 0.00 -1.53 0.00 0.00 36.38 30.75 1tnf s VAL 17 CO 0.18 -0.45 0.69 0.00 -3.33 0.00 0.00 175.10 172.20 1tnf s ALA 18 N -2.18 3.43 0.05 1.54 0.00 -1.22 -0.33 121.76 123.05 1tnf s ALA 18 Ca 0.39 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 1tnf s ALA 18 Cb -0.10 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1tnf s ALA 18 CO 0.33 0.35 1.12 1.21 0.00 0.00 0.00 175.76 178.78 1tnf s ASN 19 N -1.81 7.18 0.19 0.00 3.04 -0.12 -4.91 114.94 118.52 1tnf s ASN 19 Ca 0.45 1.91 -0.03 0.00 0.04 0.00 0.00 52.86 55.22 1tnf s ASN 19 Cb -0.15 -2.58 0.12 0.00 -1.54 0.00 0.00 41.25 37.10 1tnf s ASN 19 CO 0.20 -0.38 1.52 -0.65 -3.04 0.00 0.00 177.10 174.75 1tnf h PRO 20 N 6.65 0.59 -1.12 0.43 0.11 -1.93 -3.30 132.00 133.44 1tnf h PRO 20 Ca -0.42 -0.35 0.00 0.00 0.11 0.00 0.00 66.00 65.34 1tnf h PRO 20 Cb 1.22 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1tnf h PRO 20 CO 0.79 0.96 0.00 1.04 -0.21 0.00 0.00 178.00 180.57 1tnf n GLN 21 N -3.98 0.65 -4.10 1.05 3.00 -1.26 -4.78 117.38 107.96 1tnf n GLN 21 Ca -0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.64 1tnf n GLN 21 Cb 0.58 -1.22 -0.16 0.00 0.00 0.00 0.00 30.24 29.44 1tnf n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1tnf s ALA 22 N -0.10 2.29 0.55 -1.58 0.00 -1.24 -5.08 121.76 116.60 1tnf s ALA 22 Ca 0.00 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.52 1tnf s ALA 22 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1tnf s ALA 22 CO 0.00 -0.45 1.22 -1.83 0.00 0.00 0.00 175.76 174.69 1tnf s GLU 23 N 1.30 3.19 0.00 0.00 4.04 -1.26 -4.37 118.70 121.60 1tnf s GLU 23 Ca 0.03 1.86 0.00 0.00 0.04 0.00 0.00 54.97 56.90 1tnf s GLU 23 Cb -0.14 -2.08 0.00 0.00 0.02 0.00 0.00 34.13 31.93 1tnf s GLU 23 CO -0.12 -1.04 0.00 0.41 -1.84 0.00 0.00 175.26 172.67 1tnf n GLY 24 N 0.50 0.00 3.54 -3.83 0.00 -1.26 -4.77 105.19 99.37 1tnf n GLY 24 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1tnf n GLY 24 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tnf s GLN 25 N -0.37 0.68 -0.36 1.61 -2.07 -1.26 -4.87 119.66 113.03 1tnf s GLN 25 Ca 0.00 -0.26 -0.03 0.00 -1.82 0.00 0.00 55.36 53.25 1tnf s GLN 25 Cb 0.00 0.31 0.08 0.00 -1.09 0.00 0.00 33.01 32.30 1tnf s GLN 25 CO 0.00 -0.30 0.11 -1.17 -1.32 0.00 0.00 175.29 172.61 1tnf s LEU 26 N -2.43 4.62 -0.18 2.60 2.96 -1.26 -4.87 118.68 120.11 1tnf s LEU 26 Ca 0.07 -1.65 -0.05 0.00 -0.22 0.00 0.00 54.13 52.28 1tnf s LEU 26 Cb -0.01 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1tnf s LEU 26 CO -0.07 -0.41 -0.00 -1.58 -1.32 0.00 0.00 176.35 172.97 1tnf s GLN 27 N 1.21 3.72 0.09 1.98 2.00 -1.26 -5.03 119.66 122.35 1tnf s GLN 27 Ca 0.02 -0.48 -0.02 0.00 -2.00 0.00 0.00 55.36 52.87 1tnf s GLN 27 Cb -0.21 -3.05 -0.05 0.00 0.80 0.00 0.00 33.01 30.51 1tnf s GLN 27 CO -0.02 0.16 0.28 -1.58 -0.50 0.00 0.00 175.29 173.62 1tnf s TRP 28 N 0.62 3.51 -0.28 1.67 0.23 -1.26 -0.94 118.94 122.49 1tnf s TRP 28 Ca -0.00 0.39 -0.15 0.00 -2.03 0.00 0.00 56.10 54.31 1tnf s TRP 28 Cb -0.14 -1.87 0.09 0.00 0.03 0.00 0.00 33.47 31.57 1tnf s TRP 28 CO 0.02 0.53 0.67 -1.17 0.96 0.00 0.00 176.95 177.96 1tnf s LEU 29 N -2.49 -0.94 0.00 2.99 2.96 0.55 -4.86 118.68 116.89 1tnf s LEU 29 Ca 0.37 1.50 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 1tnf s LEU 29 Cb -0.13 2.32 0.00 0.00 0.50 0.00 0.00 46.19 48.89 1tnf s LEU 29 CO 0.26 -0.23 0.00 -0.46 -1.32 0.00 0.00 176.35 174.59 1tnf n ASN 30 N 4.51 0.73 -2.59 3.68 0.23 -1.26 -0.92 115.26 119.64 1tnf n ASN 30 Ca -0.19 -0.60 -0.15 0.00 -0.53 0.00 0.00 54.58 53.10 1tnf n ASN 30 Cb 0.57 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.33 1tnf n ASN 30 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1tnf n ARG 31 N -0.38 -5.26 -4.04 -3.83 3.00 -1.26 -5.00 116.66 99.89 1tnf n ARG 31 Ca 0.00 0.56 -0.08 0.00 -0.00 0.00 0.00 57.85 58.33 1tnf n ARG 31 Cb 0.00 -4.78 -0.09 0.00 0.00 0.00 0.00 32.46 27.59 1tnf n ARG 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1tnf s ARG 32 N -5.75 0.81 0.33 -0.14 1.81 -1.26 -5.09 118.95 109.66 1tnf s ARG 32 Ca 0.34 -1.21 0.24 0.00 -1.72 0.00 0.00 55.73 53.38 1tnf s ARG 32 Cb -0.15 0.27 1.20 0.00 -0.45 0.00 0.00 34.95 35.82 1tnf s ARG 32 CO 0.49 -0.22 1.74 0.00 -0.68 0.00 0.00 175.30 176.63 1tnf h ALA 33 N 2.91 1.00 -0.33 2.13 0.00 -1.97 -3.24 119.26 119.76 1tnf h ALA 33 Ca -0.34 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 1tnf h ALA 33 Cb 1.18 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.68 1tnf h ALA 33 CO 0.60 0.00 -0.76 0.09 0.00 0.00 0.00 179.25 179.17 1tnf n ASN 34 N -2.35 0.13 -4.02 0.00 3.02 -1.26 -5.07 115.26 105.71 1tnf n ASN 34 Ca -0.00 -2.26 -0.29 0.00 -0.03 0.00 0.00 54.58 52.00 1tnf n ASN 34 Cb 0.12 0.08 -0.17 0.00 -0.61 0.00 0.00 39.78 39.20 1tnf n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tnf s ALA 35 N -1.93 1.75 0.49 5.41 0.00 -1.22 -4.94 121.76 121.31 1tnf s ALA 35 Ca 0.21 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.43 1tnf s ALA 35 Cb 0.39 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1tnf s ALA 35 CO -0.06 -0.29 0.58 -0.51 0.00 0.00 0.00 175.76 175.48 1tnf s LEU 36 N 1.34 3.29 0.00 0.00 1.43 -1.21 -4.41 118.68 119.11 1tnf s LEU 36 Ca 0.01 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1tnf s LEU 36 Cb -0.13 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1tnf s LEU 36 CO -0.08 -0.97 0.00 -0.11 0.23 0.00 0.00 176.35 175.42 1tnf n LEU 37 N -1.90 0.00 -4.06 1.79 7.94 -1.25 -2.31 117.00 117.22 1tnf n LEU 37 Ca 0.08 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.89 1tnf n LEU 37 Cb 0.61 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.48 1tnf n LEU 37 CO 0.40 0.00 -0.17 0.00 -1.11 0.00 0.00 177.39 176.51 1tnf s ALA 38 N 0.00 0.45 -1.29 1.96 0.00 -1.06 -4.95 121.76 116.87 1tnf s ALA 38 Ca 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 1tnf s ALA 38 Cb 0.00 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1tnf s ALA 38 CO 0.00 -0.56 0.73 0.09 0.00 0.00 0.00 175.76 176.02 1tnf n ASN 39 N -0.15 -1.52 0.00 0.00 3.02 -1.26 -3.12 115.26 112.24 1tnf n ASN 39 Ca -0.06 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1tnf n ASN 39 Cb 0.63 -4.13 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 1tnf n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tnf n GLY 40 N -1.54 0.52 3.80 7.41 0.00 -1.26 -4.33 105.19 109.79 1tnf n GLY 40 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1tnf n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tnf s VAL 41 N -2.53 3.80 -0.12 1.61 -7.23 -1.23 -4.37 120.40 110.32 1tnf s VAL 41 Ca 0.00 1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 61.19 1tnf s VAL 41 Cb 0.00 -3.45 0.04 0.00 0.56 0.00 0.00 36.38 33.53 1tnf s VAL 41 CO 0.00 -0.25 0.31 -1.83 -0.31 0.00 0.00 175.10 173.02 1tnf s GLU 42 N -3.27 0.33 -0.54 4.82 -1.05 -1.22 -4.64 118.70 113.14 1tnf s GLU 42 Ca 0.67 0.51 -0.26 0.00 -0.15 0.00 0.00 54.97 55.74 1tnf s GLU 42 Cb -0.16 0.07 0.03 0.00 -0.44 0.00 0.00 34.13 33.64 1tnf s GLU 42 CO 0.21 -0.09 1.04 -1.17 0.95 0.00 0.00 175.26 176.19 1tnf s LEU 43 N 0.62 3.82 0.00 1.83 2.96 -1.26 -0.79 118.68 125.86 1tnf s LEU 43 Ca -0.04 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1tnf s LEU 43 Cb -0.05 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1tnf s LEU 43 CO -0.04 -1.28 0.00 -1.14 -1.32 0.00 0.00 176.35 172.57 1tnf n ARG 44 N 7.77 0.00 -1.95 1.98 0.00 -0.02 -4.75 116.66 119.69 1tnf n ARG 44 Ca 0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.55 1tnf n ARG 44 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.93 1tnf n ARG 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1tnf n ASP 45 N 0.00 7.37 -0.03 6.15 8.00 -1.26 -4.34 116.55 132.44 1tnf n ASP 45 Ca 0.00 -3.36 -0.00 0.00 0.71 0.00 0.00 54.79 52.14 1tnf n ASP 45 Cb 0.00 -1.25 -0.00 0.00 -0.02 0.00 0.00 41.12 39.85 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 0.82 -3.62 -4.65 -2.24 5.15 -1.26 -5.06 115.26 104.40 1tnf n ASN 46 Ca 0.54 0.01 -0.25 0.00 -0.60 0.00 0.00 54.58 54.28 1tnf n ASN 46 Cb 0.34 -1.16 -0.09 0.00 -0.53 0.00 0.00 39.78 38.35 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 -0.60 2.09 -0.23 1.20 -0.21 -1.26 -4.80 119.66 115.84 1tnf s GLN 47 Ca 0.00 -1.84 -0.07 0.00 0.02 0.00 0.00 55.36 53.47 1tnf s GLN 47 Cb 0.00 -1.89 -0.03 0.00 1.00 0.00 0.00 33.01 32.09 1tnf s GLN 47 CO 0.00 0.04 0.06 -0.51 -2.12 0.00 0.00 175.29 172.76 1tnf s LEU 48 N -3.76 3.48 -0.19 2.90 1.43 -0.50 -0.84 118.68 121.19 1tnf s LEU 48 Ca 0.36 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.12 1tnf s LEU 48 Cb 0.03 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1tnf s LEU 48 CO 0.20 0.02 0.53 -0.69 0.23 0.00 0.00 176.35 176.63 1tnf s VAL 49 N 1.31 5.11 -0.21 -1.59 1.01 0.03 -1.21 120.40 124.84 1tnf s VAL 49 Ca 0.05 0.98 -0.23 0.00 0.00 0.00 0.00 61.98 62.78 1tnf s VAL 49 Cb -0.15 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1tnf s VAL 49 CO 0.03 0.19 0.73 -0.69 0.00 0.00 0.00 175.10 175.36 1tnf s VAL 50 N 1.54 4.94 -0.02 2.92 1.01 0.36 -3.42 120.40 127.73 1tnf s VAL 50 Ca 0.25 1.38 -0.15 0.00 0.00 0.00 0.00 61.98 63.46 1tnf s VAL 50 Cb -0.15 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1tnf s VAL 50 CO 0.10 0.04 0.70 1.55 0.00 0.00 0.00 175.10 177.49 1tnf h PRO 51 N 7.54 -0.53 -5.96 2.72 0.13 -1.88 0.18 132.00 134.20 1tnf h PRO 51 Ca -0.28 0.04 -0.60 0.00 -0.87 0.00 0.00 66.00 64.28 1tnf h PRO 51 Cb 1.13 0.12 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1tnf h PRO 51 CO 0.81 -0.36 -0.64 -1.54 -0.23 0.00 0.00 178.00 176.05 1tnf s SER 52 N -4.49 3.99 0.25 1.44 1.04 -1.26 -4.39 113.70 110.28 1tnf s SER 52 Ca -0.08 -1.10 -0.30 0.00 0.48 0.00 0.00 55.95 54.95 1tnf s SER 52 Cb 0.01 -0.45 -0.09 0.00 0.10 0.00 0.00 66.02 65.59 1tnf s SER 52 CO 0.24 -0.25 1.11 -0.70 0.98 0.00 0.00 173.24 174.63 1tnf s GLU 53 N -3.68 4.61 0.02 4.02 2.12 -1.26 -4.48 118.70 120.04 1tnf s GLU 53 Ca 0.34 1.80 -0.11 0.00 0.36 0.00 0.00 54.97 57.36 1tnf s GLU 53 Cb 0.02 -3.21 0.04 0.00 0.26 0.00 0.00 34.13 31.23 1tnf s GLU 53 CO 0.18 0.14 0.49 0.41 -0.54 0.00 0.00 175.26 175.94 1tnf n GLY 54 N 1.51 0.64 3.43 -1.50 0.00 -1.26 -5.02 105.19 102.98 1tnf n GLY 54 Ca 0.00 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1tnf n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tnf s LEU 55 N 0.00 2.91 -0.02 0.99 2.96 -1.26 -3.20 118.68 121.06 1tnf s LEU 55 Ca 0.11 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1tnf s LEU 55 Cb -0.01 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1tnf s LEU 55 CO 0.00 0.19 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.78 1tnf s TYR 56 N 0.22 1.26 -0.25 5.38 1.51 0.10 -0.79 117.35 124.78 1tnf s TYR 56 Ca -0.06 -0.27 -0.26 0.00 -1.01 0.00 0.00 57.07 55.46 1tnf s TYR 56 Cb -0.15 -0.83 0.00 0.00 -0.11 0.00 0.00 41.96 40.87 1tnf s TYR 56 CO 0.04 -0.06 0.91 -1.17 -1.11 0.00 0.00 175.55 174.16 1tnf s LEU 57 N -0.17 4.08 -0.21 -1.29 2.96 0.15 -0.40 118.68 123.80 1tnf s LEU 57 Ca 0.02 1.12 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1tnf s LEU 57 Cb -0.07 -3.32 -0.00 0.00 0.50 0.00 0.00 46.19 43.30 1tnf s LEU 57 CO 0.00 -0.60 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.73 1tnf s ILE 58 N 3.02 3.13 0.34 6.68 1.01 0.08 -0.75 121.20 134.72 1tnf s ILE 58 Ca 0.38 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.49 1tnf s ILE 58 Cb -0.15 -2.41 -0.06 0.00 0.01 0.00 0.00 42.46 39.86 1tnf s ILE 58 CO 0.08 0.45 0.06 -0.72 0.00 0.00 0.00 174.94 174.81 1tnf s TYR 59 N 1.36 1.95 -0.29 3.97 -0.85 -0.22 -1.48 117.35 121.80 1tnf s TYR 59 Ca 0.04 -0.99 -0.17 0.00 -0.52 0.00 0.00 57.07 55.43 1tnf s TYR 59 Cb -0.14 -1.29 0.16 0.00 0.38 0.00 0.00 41.96 41.07 1tnf s TYR 59 CO -0.04 -0.01 1.06 0.45 -1.52 0.00 0.00 175.55 175.48 1tnf s SER 60 N -3.52 -0.39 -0.01 -0.18 0.15 0.14 -2.57 113.70 107.34 1tnf s SER 60 Ca 0.34 0.63 0.02 0.00 0.70 0.00 0.00 55.95 57.65 1tnf s SER 60 Cb 0.08 1.11 -0.01 0.00 -1.71 0.00 0.00 66.02 65.49 1tnf s SER 60 CO 0.15 -0.10 -0.08 -1.58 1.20 0.00 0.00 173.24 172.83 1tnf s GLN 61 N 1.16 0.64 -0.03 5.44 0.74 -0.77 -0.95 119.66 125.89 1tnf s GLN 61 Ca -0.08 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.06 1tnf s GLN 61 Cb -0.03 -0.61 0.01 0.00 1.10 0.00 0.00 33.01 33.47 1tnf s GLN 61 CO -0.13 0.17 -0.05 0.14 -0.55 0.00 0.00 175.29 174.87 1tnf s VAL 62 N -0.20 0.48 -0.04 1.34 -7.23 -1.11 -0.07 120.40 113.57 1tnf s VAL 62 Ca 0.03 -0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 60.04 1tnf s VAL 62 Cb -0.03 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 1tnf s VAL 62 CO -0.00 0.19 0.05 -0.22 -0.31 0.00 0.00 175.10 174.81 1tnf s LEU 63 N 0.55 3.81 -0.02 1.32 0.20 -1.08 -1.17 118.68 122.29 1tnf s LEU 63 Ca -0.07 0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.95 1tnf s LEU 63 Cb -0.10 -2.08 -0.00 0.00 -0.43 0.00 0.00 46.19 43.57 1tnf s LEU 63 CO -0.00 0.32 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.90 1tnf s PHE 64 N -1.07 1.13 0.03 5.38 0.40 -0.93 -3.07 117.98 119.85 1tnf s PHE 64 Ca 0.19 -0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1tnf s PHE 64 Cb -0.12 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.63 1tnf s PHE 64 CO 0.09 -0.08 -0.08 -1.59 0.70 0.00 0.00 175.22 174.25 1tnf s LYS 65 N 0.01 0.56 -0.18 0.44 0.00 0.85 -1.58 119.74 119.84 1tnf s LYS 65 Ca -0.01 -0.64 -0.12 0.00 0.00 0.00 0.00 55.97 55.21 1tnf s LYS 65 Cb -0.08 -0.42 0.06 0.00 0.00 0.00 0.00 37.83 37.39 1tnf s LYS 65 CO 0.00 0.09 0.45 0.20 0.00 0.00 0.00 175.35 176.09 1tnf s GLY 66 N -1.21 -0.36 0.42 0.59 0.00 -1.17 -4.64 107.32 100.96 1tnf s GLY 66 Ca -0.06 1.53 -0.12 0.00 0.00 0.00 0.00 44.72 46.08 1tnf s GLY 66 CO 0.00 1.58 0.80 1.20 0.00 0.00 0.00 173.10 176.69 1tnf s GLN 67 N 1.09 3.81 0.62 2.90 -0.21 -1.26 -1.32 119.66 125.29 1tnf s GLN 67 Ca -0.07 0.56 0.00 0.00 0.02 0.00 0.00 55.36 55.87 1tnf s GLN 67 Cb -0.07 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1tnf s GLN 67 CO -0.10 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 1tnf n GLY 68 N -1.31 -3.82 3.16 3.09 0.00 0.32 -4.87 105.19 101.76 1tnf n GLY 68 Ca 0.03 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 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 1.21 -0.51 1.01 0.00 0.02 -1.26 -2.40 135.00 133.07 1tnf s PRO 70 Ca 0.02 0.55 -0.14 0.00 0.02 0.00 0.00 61.00 61.44 1tnf s PRO 70 Cb -0.21 -1.63 0.19 0.00 0.02 0.00 0.00 34.50 32.88 1tnf s PRO 70 CO -0.02 -3.37 1.14 0.45 -0.33 0.00 0.00 177.00 174.86 1tnf s SER 71 N -3.10 2.59 0.72 2.53 0.15 -1.26 -4.67 113.70 110.66 1tnf s SER 71 Ca 0.67 0.87 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1tnf s SER 71 Cb -0.20 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 1tnf s SER 71 CO 0.60 -3.11 0.00 0.41 1.20 0.00 0.00 173.24 172.34 1tnf n THR 72 N -4.12 0.00 -3.64 6.45 -1.04 -1.26 -4.38 114.28 106.29 1tnf n THR 72 Ca 0.09 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.92 1tnf n THR 72 Cb 0.59 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.95 1tnf n THR 72 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1tnf s HIS 73 N 0.00 -0.17 0.06 -1.42 0.09 -1.26 -4.85 115.29 107.74 1tnf s HIS 73 Ca 0.00 0.51 -0.34 0.00 -0.00 0.00 0.00 55.06 55.23 1tnf s HIS 73 Cb 0.00 -0.30 -0.19 0.00 -0.00 0.00 0.00 32.58 32.09 1tnf s HIS 73 CO 0.00 -0.33 1.59 0.28 -0.00 0.00 0.00 174.74 176.27 1tnf h VAL 74 N 6.36 0.24 -4.52 -0.90 2.07 -1.88 -3.50 116.25 114.12 1tnf h VAL 74 Ca -0.14 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1tnf h VAL 74 Cb 1.12 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1tnf h VAL 74 CO 0.17 0.00 -0.65 0.18 0.02 0.00 0.00 177.57 177.29 1tnf n LEU 75 N -5.53 -4.29 -4.54 2.57 4.77 -1.26 -5.02 117.00 103.71 1tnf n LEU 75 Ca -0.14 2.18 -0.34 0.00 -0.03 0.00 0.00 56.01 57.67 1tnf n LEU 75 Cb 0.41 -2.63 -0.12 0.00 -2.33 0.00 0.00 43.42 38.76 1tnf n LEU 75 CO 0.39 -2.49 -0.38 -0.76 -1.33 0.00 0.00 177.39 172.81 1tnf s LEU 76 N -0.38 3.12 0.20 2.23 1.43 -0.67 -4.92 118.68 119.68 1tnf s LEU 76 Ca -0.01 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1tnf s LEU 76 Cb 0.00 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1tnf s LEU 76 CO 0.03 0.30 -0.09 0.42 0.23 0.00 0.00 176.35 177.23 1tnf s THR 77 N -0.42 1.38 -0.18 5.49 -4.23 -1.26 -1.69 115.64 114.74 1tnf s THR 77 Ca 0.06 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.38 1tnf s THR 77 Cb -0.12 -2.08 0.07 0.00 1.34 0.00 0.00 72.50 71.71 1tnf s THR 77 CO 0.02 -0.56 0.41 -2.28 -0.54 0.00 0.00 174.62 171.66 1tnf s HIS 78 N -3.20 -0.65 0.14 3.99 5.04 -0.60 -2.59 115.29 117.42 1tnf s HIS 78 Ca 0.22 1.34 -0.06 0.00 -1.54 0.00 0.00 55.06 55.03 1tnf s HIS 78 Cb 0.02 0.26 -0.02 0.00 0.04 0.00 0.00 32.58 32.89 1tnf s HIS 78 CO 0.05 -0.38 0.17 0.95 -2.34 0.00 0.00 174.74 173.19 1tnf s THR 79 N 1.78 0.10 -0.04 0.89 -4.23 -0.75 -1.13 115.64 112.26 1tnf s THR 79 Ca -0.07 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 1tnf s THR 79 Cb -0.10 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1tnf s THR 79 CO -0.13 -0.45 -0.14 -0.63 -0.54 0.00 0.00 174.62 172.73 1tnf s ILE 80 N -3.98 1.23 0.07 2.99 1.01 -0.74 -1.06 121.20 120.71 1tnf s ILE 80 Ca 0.17 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.30 1tnf s ILE 80 Cb 0.05 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1tnf s ILE 80 CO -0.01 0.36 -0.19 -0.44 0.00 0.00 0.00 174.94 174.66 1tnf s SER 81 N 0.16 2.31 -0.23 3.58 0.01 -0.51 -1.32 113.70 117.68 1tnf s SER 81 Ca -0.05 -0.59 -0.08 0.00 1.31 0.00 0.00 55.95 56.54 1tnf s SER 81 Cb -0.11 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 1tnf s SER 81 CO 0.02 0.08 0.08 0.00 0.41 0.00 0.00 173.24 173.82 1tnf s ARG 82 N -1.53 3.76 -0.40 12.44 1.04 -0.35 -0.64 118.95 133.28 1tnf s ARG 82 Ca 0.05 -0.43 -0.07 0.00 -1.04 0.00 0.00 55.73 54.24 1tnf s ARG 82 Cb -0.09 -3.31 0.08 0.00 -2.04 0.00 0.00 34.95 29.58 1tnf s ARG 82 CO 0.03 -0.06 0.21 -1.50 -0.04 0.00 0.00 175.30 173.94 1tnf s ILE 83 N 1.28 3.90 0.00 4.99 1.10 0.36 -0.93 121.20 131.90 1tnf s ILE 83 Ca 0.05 -1.49 0.00 0.00 -0.51 0.00 0.00 60.65 58.70 1tnf s ILE 83 Cb -0.15 -3.41 0.00 0.00 0.15 0.00 0.00 42.46 39.06 1tnf s ILE 83 CO 0.04 -0.47 0.00 0.00 -2.11 0.00 0.00 174.94 172.39 1tnf n ALA 84 N 4.82 0.00 0.00 1.50 0.00 -1.25 -1.01 120.51 124.57 1tnf n ALA 84 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1tnf n ALA 84 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1tnf n ALA 84 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1tnf n VAL 85 N -0.06 0.00 0.00 0.00 0.24 -1.26 -4.37 118.33 112.88 1tnf n VAL 85 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1tnf n VAL 85 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1tnf n VAL 85 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1tnf n SER 86 N -0.70 0.00 -2.26 -1.34 7.64 -1.26 -4.59 113.62 111.11 1tnf n SER 86 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1tnf n SER 86 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1tnf n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tnf n TYR 87 N 0.00 0.22 -0.25 1.43 4.19 -1.26 -4.83 117.16 116.66 1tnf n TYR 87 Ca 0.00 -1.27 -0.14 0.00 3.31 0.00 0.00 57.90 59.80 1tnf n TYR 87 Cb 0.00 -1.37 -0.04 0.00 0.49 0.00 0.00 39.34 38.42 1tnf n TYR 87 CO 0.00 0.00 0.00 0.94 0.91 0.00 0.00 176.86 178.71 1tnf n GLN 88 N 2.79 0.00 -3.68 2.98 7.27 -1.26 -4.72 117.38 120.76 1tnf n GLN 88 Ca 0.35 -0.59 -0.20 0.00 0.07 0.00 0.00 57.00 56.63 1tnf n GLN 88 Cb 0.62 -2.02 -0.04 0.00 2.41 0.00 0.00 30.24 31.20 1tnf n GLN 88 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1tnf n THR 89 N 5.34 0.00 -2.39 1.69 -2.24 -1.26 -4.73 114.28 110.69 1tnf n THR 89 Ca 0.15 -1.52 -0.43 0.00 -2.27 0.00 0.00 64.05 59.97 1tnf n THR 89 Cb 0.14 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 1tnf n THR 89 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tnf s LYS 90 N -3.14 3.93 -0.14 -0.78 -0.14 -1.26 -3.92 119.74 114.29 1tnf s LYS 90 Ca 0.02 1.33 -0.03 0.00 -1.36 0.00 0.00 55.97 55.93 1tnf s LYS 90 Cb 0.00 -3.89 -0.03 0.00 -1.68 0.00 0.00 37.83 32.24 1tnf s LYS 90 CO 0.01 -1.10 -0.05 0.14 -0.76 0.00 0.00 175.35 173.59 1tnf s VAL 91 N 4.39 3.80 -0.12 3.17 -7.23 -0.10 -4.92 120.40 119.39 1tnf s VAL 91 Ca 0.58 -0.40 -0.29 0.00 -1.81 0.00 0.00 61.98 60.06 1tnf s VAL 91 Cb -0.18 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 1tnf s VAL 91 CO 0.23 0.51 1.83 0.20 -0.31 0.00 0.00 175.10 177.55 1tnf s ASN 92 N 0.24 6.29 -0.14 4.85 0.01 -1.26 -1.21 114.94 123.72 1tnf s ASN 92 Ca -0.03 2.07 -0.02 0.00 -0.71 0.00 0.00 52.86 54.17 1tnf s ASN 92 Cb -0.14 -2.53 -0.24 0.00 0.41 0.00 0.00 41.25 38.75 1tnf s ASN 92 CO 0.03 -1.26 0.27 0.18 -1.51 0.00 0.00 177.10 174.81 1tnf n LEU 93 N 8.53 2.43 -3.72 0.60 4.77 -0.44 -4.96 117.00 124.21 1tnf n LEU 93 Ca 0.21 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1tnf n LEU 93 Cb 0.44 -0.88 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 1tnf n LEU 93 CO 0.65 0.81 0.09 -0.76 -1.33 0.00 0.00 177.39 176.86 1tnf s LEU 94 N -6.78 0.58 -0.24 2.23 1.43 -1.17 -5.01 118.68 109.72 1tnf s LEU 94 Ca -0.23 0.24 -0.26 0.00 -1.03 0.00 0.00 54.13 52.85 1tnf s LEU 94 Cb 0.07 1.48 0.12 0.00 0.03 0.00 0.00 46.19 47.89 1tnf s LEU 94 CO 0.74 -0.45 0.99 -0.44 0.23 0.00 0.00 176.35 177.42 1tnf s SER 95 N -1.20 -0.46 0.11 2.29 0.01 -1.26 -1.80 113.70 111.40 1tnf s SER 95 Ca -0.12 0.79 -0.10 0.00 1.31 0.00 0.00 55.95 57.82 1tnf s SER 95 Cb -0.04 0.77 0.00 0.00 0.21 0.00 0.00 66.02 66.96 1tnf s SER 95 CO 0.05 -0.22 0.26 0.00 0.41 0.00 0.00 173.24 173.74 1tnf s ALA 96 N -0.12 -0.32 -0.16 1.44 0.00 -0.28 -5.00 121.76 117.31 1tnf s ALA 96 Ca 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1tnf s ALA 96 Cb -0.04 0.61 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1tnf s ALA 96 CO -0.03 -0.57 0.08 0.42 0.00 0.00 0.00 175.76 175.66 1tnf s ILE 97 N -3.87 -0.06 -0.00 0.00 1.01 -1.26 -1.55 121.20 115.46 1tnf s ILE 97 Ca 0.07 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.62 1tnf s ILE 97 Cb 0.04 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 1tnf s ILE 97 CO -0.09 -0.24 -0.05 -0.54 0.00 0.00 0.00 174.94 174.02 1tnf s LYS 98 N 2.13 2.61 -0.29 2.79 1.02 -0.68 -4.95 119.74 122.36 1tnf s LYS 98 Ca 0.02 -0.69 -0.06 0.00 0.02 0.00 0.00 55.97 55.26 1tnf s LYS 98 Cb -0.16 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1tnf s LYS 98 CO -0.08 0.61 0.06 -1.54 -0.92 0.00 0.00 175.35 173.48 1tnf s SER 99 N -1.42 5.04 0.13 2.83 1.04 -1.26 -1.67 113.70 118.39 1tnf s SER 99 Ca 0.17 -0.73 0.05 0.00 0.48 0.00 0.00 55.95 55.92 1tnf s SER 99 Cb -0.11 -1.86 -0.14 0.00 0.10 0.00 0.00 66.02 64.01 1tnf s SER 99 CO 0.08 -0.19 1.30 1.55 0.98 0.00 0.00 173.24 176.96 1tnf h PRO 100 N 8.21 0.08 -4.82 4.02 0.13 -1.98 -3.44 132.00 134.20 1tnf h PRO 100 Ca -0.31 -0.12 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 1tnf h PRO 100 Cb 1.12 0.04 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1tnf h PRO 100 CO 0.60 1.00 -0.57 0.00 -0.23 0.00 0.00 178.00 178.80 1tnf s GLN 102 N 1.62 1.14 0.54 0.00 -0.21 -1.26 -4.83 119.66 116.66 1tnf s GLN 102 Ca 0.05 -1.78 0.00 0.00 0.02 0.00 0.00 55.36 53.65 1tnf s GLN 102 Cb -0.17 -2.25 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1tnf s GLN 102 CO 0.06 -1.12 0.00 -2.13 -2.12 0.00 0.00 175.29 169.98 1tnf n ARG 103 N 3.86 -3.07 0.00 2.91 3.00 -1.26 -5.04 116.66 117.06 1tnf n ARG 103 Ca 0.06 2.44 0.00 0.00 -0.00 0.00 0.00 57.85 60.35 1tnf n ARG 103 Cb 0.36 -3.61 0.00 0.00 0.00 0.00 0.00 32.46 29.21 1tnf n ARG 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1tnf n GLU 104 N -4.20 0.00 -3.69 -0.14 -0.58 -1.26 -5.00 120.64 105.77 1tnf n GLU 104 Ca -0.07 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.41 1tnf n GLU 104 Cb 0.64 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.47 1tnf n GLU 104 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1tnf n THR 105 N 0.00 -0.31 -1.96 2.62 -1.04 -1.01 -4.44 114.28 108.15 1tnf n THR 105 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1tnf n THR 105 Cb 0.00 -0.77 -0.06 0.00 -1.82 0.00 0.00 70.33 67.68 1tnf n THR 105 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1tnf s PRO 106 N -6.32 2.33 0.00 -2.82 0.02 -1.26 -4.87 135.00 122.09 1tnf s PRO 106 Ca 0.50 -0.34 0.00 0.00 0.02 0.00 0.00 61.00 61.18 1tnf s PRO 106 Cb -0.28 -5.05 0.00 0.00 0.02 0.00 0.00 34.50 29.19 1tnf s PRO 106 CO 0.61 -3.76 0.93 -1.91 -0.33 0.00 0.00 177.00 172.55 1tnf n GLU 107 N 8.71 0.00 -1.75 5.54 0.00 -1.26 -1.99 120.64 129.89 1tnf n GLU 107 Ca 0.42 0.53 -0.33 0.00 0.00 0.00 0.00 57.16 57.77 1tnf n GLU 107 Cb 0.46 -1.43 -0.03 0.00 0.00 0.00 0.00 31.44 30.44 1tnf n GLU 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1tnf n GLY 108 N -0.95 4.80 1.67 8.31 0.00 -1.26 -4.42 105.19 113.34 1tnf n GLY 108 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1tnf n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tnf n ALA 109 N 1.27 1.57 0.00 4.61 0.00 -1.18 -5.01 120.51 121.78 1tnf n ALA 109 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1tnf n ALA 109 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1tnf n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tnf n GLU 110 N -2.34 0.00 -0.46 0.00 -0.58 -0.84 -4.92 120.64 111.50 1tnf n GLU 110 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1tnf n GLU 110 Cb 0.00 -1.04 -0.03 0.00 -0.57 0.00 0.00 31.44 29.80 1tnf n GLU 110 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tnf n ALA 111 N 0.11 -1.21 -1.95 0.62 0.00 -1.26 -4.37 120.51 112.44 1tnf n ALA 111 Ca 0.00 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.40 1tnf n ALA 111 Cb 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 1tnf n ALA 111 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1tnf s LYS 112 N -3.38 4.27 0.01 0.00 3.01 -1.26 -3.97 119.74 118.41 1tnf s LYS 112 Ca 0.00 1.01 -0.29 0.00 -1.01 0.00 0.00 55.97 55.68 1tnf s LYS 112 Cb 0.00 -2.54 -0.04 0.00 -1.01 0.00 0.00 37.83 34.24 1tnf s LYS 112 CO 0.00 0.18 0.95 -1.25 0.51 0.00 0.00 175.35 175.74 1tnf s PRO 113 N -2.59 4.57 0.33 -1.68 0.04 -1.26 -0.52 135.00 133.89 1tnf s PRO 113 Ca 0.53 1.38 0.07 0.00 0.04 0.00 0.00 61.00 63.01 1tnf s PRO 113 Cb -0.13 -3.44 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1tnf s PRO 113 CO 0.18 0.00 0.45 1.67 0.04 0.00 0.00 177.00 179.35 1tnf s TRP 114 N 0.83 3.09 0.04 0.56 1.48 -0.43 -4.96 118.94 119.54 1tnf s TRP 114 Ca 0.50 -0.23 0.02 0.00 -1.06 0.00 0.00 56.10 55.33 1tnf s TRP 114 Cb -0.21 -1.97 -0.02 0.00 -1.16 0.00 0.00 33.47 30.11 1tnf s TRP 114 CO 0.27 0.01 -0.07 0.71 -4.06 0.00 0.00 176.95 173.81 1tnf s TYR 115 N -2.19 0.63 -0.26 1.66 1.51 -1.26 -3.05 117.35 114.39 1tnf s TYR 115 Ca 0.45 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1tnf s TYR 115 Cb -0.09 -0.38 0.12 0.00 -0.11 0.00 0.00 41.96 41.50 1tnf s TYR 115 CO 0.31 -0.08 0.29 -2.00 -1.11 0.00 0.00 175.55 172.95 1tnf s GLU 116 N -1.41 0.29 0.29 -0.62 2.56 -0.61 -5.00 118.70 114.19 1tnf s GLU 116 Ca -0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.97 54.93 1tnf s GLU 116 Cb -0.09 -0.79 -0.04 0.00 2.00 0.00 0.00 34.13 35.21 1tnf s GLU 116 CO 0.00 -0.87 0.50 -1.25 -0.56 0.00 0.00 175.26 173.09 1tnf s PRO 117 N 2.38 3.52 -0.05 4.30 0.04 -1.26 -2.19 135.00 141.74 1tnf s PRO 117 Ca 0.09 -0.28 -0.02 0.00 0.04 0.00 0.00 61.00 60.83 1tnf s PRO 117 Cb -0.15 -2.71 0.04 0.00 0.04 0.00 0.00 34.50 31.72 1tnf s PRO 117 CO -0.24 0.24 0.09 0.42 0.04 0.00 0.00 177.00 177.55 1tnf s ILE 118 N -2.14 -0.12 -0.06 0.56 1.01 -0.31 -5.00 121.20 115.13 1tnf s ILE 118 Ca 0.40 0.32 -0.00 0.00 0.00 0.00 0.00 60.65 61.36 1tnf s ILE 118 Cb -0.10 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 1tnf s ILE 118 CO 0.33 0.13 -0.01 -0.47 0.00 0.00 0.00 174.94 174.91 1tnf s TYR 119 N 1.76 3.09 -0.07 3.97 5.04 -1.26 -2.77 117.35 127.11 1tnf s TYR 119 Ca -0.01 0.13 -0.01 0.00 -2.44 0.00 0.00 57.07 54.74 1tnf s TYR 119 Cb -0.12 -1.74 0.03 0.00 0.35 0.00 0.00 41.96 40.47 1tnf s TYR 119 CO -0.04 0.44 -0.03 -0.51 -1.34 0.00 0.00 175.55 174.07 1tnf s LEU 120 N -1.04 0.90 -0.17 6.97 1.02 -0.13 -4.97 118.68 121.26 1tnf s LEU 120 Ca 0.15 -0.14 -0.10 0.00 0.02 0.00 0.00 54.13 54.06 1tnf s LEU 120 Cb -0.11 -0.53 0.06 0.00 0.02 0.00 0.00 46.19 45.63 1tnf s LEU 120 CO 0.04 -0.14 0.41 -0.83 0.02 0.00 0.00 176.35 175.85 1tnf s GLY 121 N 1.65 -0.33 0.24 -3.19 0.00 -1.26 0.28 107.32 104.70 1tnf s GLY 121 Ca 0.01 1.52 -0.14 0.00 0.00 0.00 0.00 44.72 46.10 1tnf s GLY 121 CO -0.04 1.66 0.50 -0.32 0.00 0.00 0.00 173.10 174.90 1tnf s GLY 122 N 1.35 0.35 -0.15 0.20 0.00 -0.55 -4.99 107.32 103.53 1tnf s GLY 122 Ca -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 1tnf s GLY 122 CO -0.12 -0.51 -0.03 0.14 0.00 0.00 0.00 173.10 172.57 1tnf s VAL 123 N -3.98 3.98 -0.03 1.40 1.01 -1.26 -0.74 120.40 120.78 1tnf s VAL 123 Ca 0.19 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1tnf s VAL 123 Cb -0.01 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1tnf s VAL 123 CO 0.06 0.51 0.17 -0.36 0.00 0.00 0.00 175.10 175.48 1tnf s PHE 124 N 0.19 -0.07 -0.48 5.22 0.40 0.47 -4.96 117.98 118.75 1tnf s PHE 124 Ca -0.01 0.13 -0.25 0.00 -0.60 0.00 0.00 56.93 56.20 1tnf s PHE 124 Cb -0.14 0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.43 1tnf s PHE 124 CO 0.03 -0.23 0.91 -1.14 0.70 0.00 0.00 175.22 175.49 1tnf s GLN 125 N -0.86 3.48 0.37 0.44 0.74 -1.26 0.00 119.66 122.57 1tnf s GLN 125 Ca -0.09 0.05 -0.01 0.00 0.05 0.00 0.00 55.36 55.35 1tnf s GLN 125 Cb -0.05 -3.95 0.08 0.00 1.10 0.00 0.00 33.01 30.18 1tnf s GLN 125 CO 0.01 -1.26 0.51 1.28 -0.55 0.00 0.00 175.29 175.28 1tnf n LEU 126 N 7.18 0.00 -4.15 3.68 7.99 -1.20 -5.01 117.00 125.50 1tnf n LEU 126 Ca 0.05 -0.98 -0.10 0.00 -0.01 0.00 0.00 56.01 54.96 1tnf n LEU 126 Cb 0.48 -0.34 -0.10 0.00 -0.11 0.00 0.00 43.42 43.35 1tnf n LEU 126 CO 0.63 -0.77 -0.38 -1.61 -1.51 0.00 0.00 177.39 173.75 1tnf s GLU 127 N -3.81 0.77 0.26 3.23 2.02 -1.26 -4.27 118.70 115.63 1tnf s GLU 127 Ca 0.33 -1.27 -0.31 0.00 0.02 0.00 0.00 54.97 53.75 1tnf s GLU 127 Cb -0.02 -0.14 -0.11 0.00 0.10 0.00 0.00 34.13 33.96 1tnf s GLU 127 CO 0.22 -0.03 1.64 0.21 0.02 0.00 0.00 175.26 177.32 1tnf s LYS 128 N -3.66 4.12 0.00 1.61 2.20 -1.26 -2.33 119.74 120.42 1tnf s LYS 128 Ca 0.09 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 1tnf s LYS 128 Cb 0.04 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1tnf s LYS 128 CO -0.05 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 1tnf n GLY 129 N 2.80 0.92 3.42 5.54 0.00 0.64 -4.92 105.19 113.59 1tnf n GLY 129 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1tnf n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tnf n ASP 130 N 0.00 -1.71 -4.10 1.61 8.00 -0.98 -4.61 116.55 114.76 1tnf n ASP 130 Ca 0.00 0.11 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 1tnf n ASP 130 Cb 0.00 -1.18 -0.12 0.00 -0.02 0.00 0.00 41.12 39.79 1tnf n ASP 130 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1tnf s ARG 131 N -3.88 0.66 -0.03 -1.24 0.52 -0.18 -0.49 118.95 114.31 1tnf s ARG 131 Ca 0.60 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1tnf s ARG 131 Cb -0.19 -0.55 0.01 0.00 0.52 0.00 0.00 34.95 34.74 1tnf s ARG 131 CO 0.65 0.12 -0.05 -0.51 0.02 0.00 0.00 175.30 175.53 1tnf s LEU 132 N -1.43 1.53 -0.03 2.53 1.43 -0.35 -0.49 118.68 121.88 1tnf s LEU 132 Ca -0.05 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1tnf s LEU 132 Cb -0.09 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.72 1tnf s LEU 132 CO 0.01 -0.01 -0.04 -0.94 0.23 0.00 0.00 176.35 175.59 1tnf s SER 133 N 0.60 0.76 -0.49 2.29 1.04 0.18 -1.42 113.70 116.67 1tnf s SER 133 Ca -0.08 -0.11 -0.19 0.00 0.48 0.00 0.00 55.95 56.06 1tnf s SER 133 Cb -0.11 -0.26 0.05 0.00 0.10 0.00 0.00 66.02 65.79 1tnf s SER 133 CO 0.00 -0.01 0.59 0.00 0.98 0.00 0.00 173.24 174.81 1tnf s ALA 134 N 0.48 3.40 -0.13 5.32 0.00 -1.26 -1.43 121.76 128.14 1tnf s ALA 134 Ca -0.06 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.24 1tnf s ALA 134 Cb -0.09 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1tnf s ALA 134 CO -0.00 -1.91 -0.16 -1.21 0.00 0.00 0.00 175.76 172.48 1tnf s GLU 135 N 2.53 2.38 0.46 0.00 2.02 -0.23 -4.95 118.70 120.92 1tnf s GLU 135 Ca 0.15 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.55 1tnf s GLU 135 Cb -0.19 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 31.99 1tnf s GLU 135 CO 0.13 -0.13 0.67 0.96 0.02 0.00 0.00 175.26 176.91 1tnf s ILE 136 N 1.16 3.49 -0.88 -1.63 -4.36 -1.26 -1.81 121.20 115.91 1tnf s ILE 136 Ca -0.02 -0.67 0.22 0.00 -0.26 0.00 0.00 60.65 59.92 1tnf s ILE 136 Cb -0.14 -3.27 -0.19 0.00 1.25 0.00 0.00 42.46 40.10 1tnf s ILE 136 CO -0.06 -0.17 0.95 -0.46 0.24 0.00 0.00 174.94 175.45 1tnf n ASN 137 N -2.08 0.81 -3.52 4.36 6.94 -1.07 -4.71 115.26 115.99 1tnf n ASN 137 Ca 0.04 -0.73 -0.29 0.00 -0.02 0.00 0.00 54.58 53.58 1tnf n ASN 137 Cb 0.58 0.95 -0.12 0.00 -2.36 0.00 0.00 39.78 38.84 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 -3.06 0.84 0.50 -3.83 1.81 -1.26 -4.97 118.95 108.98 1tnf s ARG 138 Ca 0.07 -1.70 0.29 0.00 -1.72 0.00 0.00 55.73 52.67 1tnf s ARG 138 Cb 0.16 -1.62 1.24 0.00 -0.45 0.00 0.00 34.95 34.28 1tnf s ARG 138 CO 0.84 -1.24 1.95 -1.00 -0.68 0.00 0.00 175.30 175.17 1tnf h PRO 139 N 6.62 0.00 0.00 3.54 0.13 -1.91 -2.82 132.00 137.56 1tnf h PRO 139 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1tnf h PRO 139 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1tnf h PRO 139 CO 0.35 0.12 0.00 -0.40 -0.23 0.00 0.00 178.00 177.84 1tnf n ASP 140 N -3.33 0.38 -0.53 1.44 5.68 -1.26 -2.44 116.55 116.49 1tnf n ASP 140 Ca -0.00 0.65 0.08 0.00 -0.50 0.00 0.00 54.79 55.02 1tnf n ASP 140 Cb 0.34 -0.71 0.04 0.00 -1.14 0.00 0.00 41.12 39.64 1tnf n ASP 140 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1tnf n TYR 141 N -1.99 0.00 -0.31 2.11 0.53 -1.06 -5.00 117.16 111.44 1tnf n TYR 141 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.58 1tnf n TYR 141 Cb 0.07 0.00 0.29 0.00 -1.03 0.00 0.00 39.34 38.67 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 -1.72 -0.92 -0.08 7.72 1.43 -1.02 -0.10 118.68 123.97 1tnf s LEU 142 Ca 0.17 1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 54.25 1tnf s LEU 142 Cb 0.14 -2.53 0.04 0.00 0.03 0.00 0.00 46.19 43.87 1tnf s LEU 142 CO 0.31 -5.30 0.20 -0.22 0.23 0.00 0.00 176.35 171.57 1tnf s LEU 143 N -7.85 0.77 -0.26 1.79 1.98 -1.18 -4.22 118.68 109.72 1tnf s LEU 143 Ca 0.68 0.42 0.15 0.00 -2.89 0.00 0.00 54.13 52.49 1tnf s LEU 143 Cb -0.17 0.61 0.48 0.00 0.66 0.00 0.00 46.19 47.77 1tnf s LEU 143 CO 0.60 -0.13 1.15 0.49 -1.89 0.00 0.00 176.35 176.57 1tnf n PHE 144 N 3.82 1.84 -1.36 5.38 3.72 -1.26 -4.60 117.46 125.00 1tnf n PHE 144 Ca -0.22 -2.08 -0.28 0.00 -0.05 0.00 0.00 57.45 54.83 1tnf n PHE 144 Cb 0.54 -0.28 0.01 0.00 -0.94 0.00 0.00 39.48 38.82 1tnf n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tnf n ALA 145 N -0.63 6.06 -2.83 4.37 0.00 -1.26 -4.91 120.51 121.31 1tnf n ALA 145 Ca 0.25 -2.91 -0.34 0.00 0.00 0.00 0.00 53.44 50.44 1tnf n ALA 145 Cb 0.89 -1.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1tnf n ALA 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1tnf s GLU 146 N -2.55 3.25 0.00 0.00 -6.30 -1.26 -5.02 118.70 106.81 1tnf s GLU 146 Ca 0.51 -0.35 0.00 0.00 -2.50 0.00 0.00 54.97 52.63 1tnf s GLU 146 Cb 0.38 -2.99 0.00 0.00 0.00 0.00 0.00 34.13 31.51 1tnf s GLU 146 CO -0.15 0.69 0.00 0.43 0.02 0.00 0.00 175.26 176.25 1tnf n SER 147 N 1.39 0.00 -4.45 -1.70 7.64 -1.26 -4.86 113.62 110.38 1tnf n SER 147 Ca -0.14 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.30 1tnf n SER 147 Cb 0.53 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 1tnf n SER 147 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1tnf s GLY 148 N -1.84 1.40 0.00 0.23 0.00 -1.26 -4.27 107.32 101.58 1tnf s GLY 148 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.82 1tnf s GLY 148 CO 0.00 2.06 0.00 -1.06 0.00 0.00 0.00 173.10 174.10 1tnf n GLN 149 N 7.64 1.68 -3.98 2.90 6.02 -1.26 -5.05 117.38 125.33 1tnf n GLN 149 Ca -0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.69 1tnf n GLN 149 Cb 0.46 -0.39 -0.17 0.00 1.02 0.00 0.00 30.24 31.16 1tnf n GLN 149 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1tnf s VAL 150 N -0.64 1.20 0.16 5.09 1.01 -1.24 -2.64 120.40 123.34 1tnf s VAL 150 Ca 0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1tnf s VAL 150 Cb 0.00 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.26 1tnf s VAL 150 CO 0.00 0.40 0.54 -0.72 0.00 0.00 0.00 175.10 175.31 1tnf s TYR 151 N 1.58 -0.40 -0.11 5.22 1.13 0.90 -3.40 117.35 122.27 1tnf s TYR 151 Ca 0.04 0.14 -0.04 0.00 -1.41 0.00 0.00 57.07 55.79 1tnf s TYR 151 Cb -0.13 0.46 0.06 0.00 -1.10 0.00 0.00 41.96 41.25 1tnf s TYR 151 CO -0.08 -0.82 0.23 0.12 -2.51 0.00 0.00 175.55 172.49 1tnf s PHE 152 N -3.78 -0.35 -0.03 -3.49 5.36 0.25 -1.84 117.98 114.10 1tnf s PHE 152 Ca 0.02 0.85 -0.09 0.00 -0.96 0.00 0.00 56.93 56.75 1tnf s PHE 152 Cb -0.00 -0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.62 1tnf s PHE 152 CO -0.11 -0.31 0.21 0.20 -1.46 0.00 0.00 175.22 173.75 1tnf s GLY 153 N 2.14 -0.08 -0.01 13.12 0.00 -1.06 -0.25 107.32 121.19 1tnf s GLY 153 Ca -0.01 0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.99 1tnf s GLY 153 CO -0.08 0.11 -0.11 -0.26 0.00 0.00 0.00 173.10 172.76 1tnf s ILE 154 N -0.85 0.86 -0.00 0.90 -4.36 -0.91 -1.05 121.20 115.79 1tnf s ILE 154 Ca -0.09 -0.47 0.01 0.00 -0.26 0.00 0.00 60.65 59.84 1tnf s ILE 154 Cb -0.05 -0.72 0.00 0.00 1.25 0.00 0.00 42.46 42.94 1tnf s ILE 154 CO 0.02 0.24 -0.02 -0.51 0.24 0.00 0.00 174.94 174.91 1tnf s ILE 155 N -0.25 0.17 -0.31 8.37 1.10 0.08 0.34 121.20 130.69 1tnf s ILE 155 Ca 0.04 -0.08 -0.24 0.00 -0.51 0.00 0.00 60.65 59.86 1tnf s ILE 155 Cb -0.04 -0.16 0.00 0.00 0.15 0.00 0.00 42.46 42.41 1tnf s ILE 155 CO -0.00 0.05 0.83 0.00 -2.11 0.00 0.00 174.94 173.71 1tnf s ALA 156 N 0.02 3.52 -2.81 1.50 0.00 -1.06 -0.67 121.76 122.25 1tnf s ALA 156 Ca 0.00 -0.39 0.22 0.00 0.00 0.00 0.00 51.96 51.80 1tnf s ALA 156 Cb -0.02 -3.37 0.18 0.00 0.00 0.00 0.00 23.12 19.91 1tnf s ALA 156 CO -0.00 -1.27 1.21 1.28 0.00 0.00 0.00 175.76 176.98