#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tp8 s LYS 2 N 0.00 2.67 0.60 1.61 2.47 -0.26 -4.79 119.74 122.03 1tp8 s LYS 2 Ca 0.00 -1.11 -0.18 0.00 -1.56 0.00 0.00 55.97 53.12 1tp8 s LYS 2 Cb 0.00 -3.17 -0.03 0.00 -1.46 0.00 0.00 37.83 33.17 1tp8 s LYS 2 CO 0.00 -0.53 1.17 0.00 0.16 0.00 0.00 175.35 176.15 1tp8 s ALA 3 N 1.32 2.55 0.04 3.13 0.00 -1.26 -2.58 121.76 124.97 1tp8 s ALA 3 Ca -0.02 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 52.75 1tp8 s ALA 3 Cb -0.18 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1tp8 s ALA 3 CO -0.01 -1.10 0.12 -0.59 0.00 0.00 0.00 175.76 174.17 1tp8 s PHE 4 N -1.78 0.18 -0.28 0.00 -0.71 0.78 -4.92 117.98 111.25 1tp8 s PHE 4 Ca 0.74 -0.48 -0.02 0.00 -1.04 0.00 0.00 56.93 56.13 1tp8 s PHE 4 Cb -0.27 -0.12 0.11 0.00 -1.21 0.00 0.00 43.02 41.53 1tp8 s PHE 4 CO 0.33 -0.39 0.21 0.34 -1.34 0.00 0.00 175.22 174.37 1tp8 s ASP 5 N -2.20 2.44 0.33 1.98 -1.08 -1.26 -1.26 116.67 115.61 1tp8 s ASP 5 Ca -0.04 -0.91 0.11 0.00 -0.52 0.00 0.00 52.55 51.19 1tp8 s ASP 5 Cb -0.00 0.11 0.57 0.00 -1.46 0.00 0.00 42.92 42.14 1tp8 s ASP 5 CO -0.05 -0.40 1.74 0.44 0.52 0.00 0.00 175.17 177.42 1tp8 h ASP 6 N 8.34 0.02 -4.78 -0.34 3.32 -1.38 -3.49 116.42 118.11 1tp8 h ASP 6 Ca -0.16 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1tp8 h ASP 6 Cb 1.06 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1tp8 h ASP 6 CO 0.37 0.48 0.00 0.61 -1.72 0.00 0.00 179.24 178.98 1tp8 n GLY 7 N -0.19 -1.90 3.53 2.75 0.00 -1.25 -4.94 105.19 103.19 1tp8 n GLY 7 Ca -0.02 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 1tp8 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tp8 s ALA 8 N -1.73 2.83 0.00 4.61 0.00 -1.26 -3.97 121.76 122.23 1tp8 s ALA 8 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1tp8 s ALA 8 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1tp8 s ALA 8 CO 0.00 0.57 0.00 1.19 0.00 0.00 0.00 175.76 177.52 1tp8 n PHE 9 N 2.13 0.00 0.83 0.00 3.01 -0.63 -5.02 117.46 117.78 1tp8 n PHE 9 Ca -0.17 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.38 1tp8 n PHE 9 Cb 0.52 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.99 1tp8 n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1tp8 n THR 10 N 0.00 0.00 -0.68 4.37 -2.24 -0.83 -4.86 114.28 110.04 1tp8 n THR 10 Ca 0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1tp8 n THR 10 Cb 0.00 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1tp8 n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tp8 n GLY 11 N 1.27 -1.44 3.18 3.38 0.00 -1.24 -4.95 105.19 105.39 1tp8 n GLY 11 Ca 0.08 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1tp8 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tp8 s ILE 12 N -2.21 1.73 -0.08 -0.61 1.01 -1.26 -1.32 121.20 118.46 1tp8 s ILE 12 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.85 1tp8 s ILE 12 Cb 0.00 -1.49 -0.10 0.00 0.01 0.00 0.00 42.46 40.88 1tp8 s ILE 12 CO 0.00 0.49 0.02 0.54 0.00 0.00 0.00 174.94 175.99 1tp8 n ARG 13 N 3.28 2.46 -3.64 2.79 1.74 -0.10 -4.80 116.66 118.39 1tp8 n ARG 13 Ca -0.19 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.80 1tp8 n ARG 13 Cb 0.52 -1.21 -0.07 0.00 -1.02 0.00 0.00 32.46 30.69 1tp8 n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1tp8 s GLU 14 N -2.20 0.66 -0.12 5.56 2.12 -0.83 -2.78 118.70 121.12 1tp8 s GLU 14 Ca -0.05 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1tp8 s GLU 14 Cb 0.03 0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.66 1tp8 s GLU 14 CO 0.33 -0.10 -0.12 0.42 -0.54 0.00 0.00 175.26 175.25 1tp8 s ILE 15 N 0.73 3.19 -0.23 -3.70 1.01 0.74 0.12 121.20 123.04 1tp8 s ILE 15 Ca -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1tp8 s ILE 15 Cb -0.05 -2.33 0.05 0.00 0.01 0.00 0.00 42.46 40.15 1tp8 s ILE 15 CO -0.07 0.54 -0.11 0.20 0.00 0.00 0.00 174.94 175.49 1tp8 s ASN 16 N 0.10 3.93 0.41 3.58 0.01 0.84 -0.46 114.94 123.35 1tp8 s ASN 16 Ca -0.05 -1.15 0.05 0.00 -0.71 0.00 0.00 52.86 51.00 1tp8 s ASN 16 Cb -0.15 -1.40 -0.02 0.00 0.41 0.00 0.00 41.25 40.09 1tp8 s ASN 16 CO 0.04 -0.16 0.17 -1.48 -1.51 0.00 0.00 177.10 174.16 1tp8 s LEU 17 N 1.25 1.94 -0.03 0.60 0.05 -0.86 -1.41 118.68 120.21 1tp8 s LEU 17 Ca -0.05 -1.74 -0.09 0.00 0.05 0.00 0.00 54.13 52.30 1tp8 s LEU 17 Cb -0.18 0.07 0.01 0.00 -2.05 0.00 0.00 46.19 44.05 1tp8 s LEU 17 CO -0.07 -1.01 0.21 -0.94 -0.55 0.00 0.00 176.35 173.99 1tp8 s SER 18 N -3.58 -0.12 0.25 1.48 1.04 -0.76 -0.87 113.70 111.13 1tp8 s SER 18 Ca 0.26 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.78 1tp8 s SER 18 Cb 0.02 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1tp8 s SER 18 CO 0.18 -0.27 0.25 -0.72 0.98 0.00 0.00 173.24 173.65 1tp8 s TYR 19 N -0.79 1.13 -0.06 5.02 1.13 -0.91 -0.64 117.35 122.22 1tp8 s TYR 19 Ca -0.09 -1.31 -0.01 0.00 -1.41 0.00 0.00 57.07 54.24 1tp8 s TYR 19 Cb -0.05 -0.41 0.03 0.00 -1.10 0.00 0.00 41.96 40.43 1tp8 s TYR 19 CO 0.02 -0.79 0.01 1.21 -2.51 0.00 0.00 175.55 173.49 1tp8 s ASN 20 N -3.18 1.44 0.61 -0.18 3.84 -1.00 0.62 114.94 117.09 1tp8 s ASN 20 Ca 0.36 -0.04 0.37 0.00 0.21 0.00 0.00 52.86 53.76 1tp8 s ASN 20 Cb 0.04 -0.36 2.03 0.00 -0.55 0.00 0.00 41.25 42.41 1tp8 s ASN 20 CO 0.15 -0.20 2.14 0.50 -2.79 0.00 0.00 177.10 176.90 1tp8 h LYS 21 N 8.31 0.00 -0.00 0.43 3.64 -1.89 -1.88 116.57 125.17 1tp8 h LYS 21 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1tp8 h LYS 21 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1tp8 h LYS 21 CO 0.24 0.00 -0.98 0.39 -2.27 0.00 0.00 179.45 176.84 1tp8 n GLU 22 N -2.90 0.07 0.00 1.90 1.02 -1.26 -4.62 120.64 114.86 1tp8 n GLU 22 Ca -0.02 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1tp8 n GLU 22 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1tp8 n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1tp8 n THR 23 N -1.44 0.00 -2.60 2.62 -2.24 -0.71 -5.06 114.28 104.85 1tp8 n THR 23 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1tp8 n THR 23 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1tp8 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tp8 n ALA 24 N -3.00 0.00 -1.90 6.98 0.00 -1.23 -4.43 120.51 116.92 1tp8 n ALA 24 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1tp8 n ALA 24 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1tp8 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1tp8 s ILE 25 N -2.37 4.37 0.00 0.00 -1.09 -1.09 -2.38 121.20 118.64 1tp8 s ILE 25 Ca 0.00 1.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.98 1tp8 s ILE 25 Cb 0.00 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1tp8 s ILE 25 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 1tp8 n GLY 26 N 0.36 0.87 3.77 6.18 0.00 0.19 -1.34 105.19 115.21 1tp8 n GLY 26 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1tp8 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tp8 s ASP 27 N 0.88 5.87 -0.12 1.61 1.01 -1.25 -4.43 116.67 120.23 1tp8 s ASP 27 Ca 0.00 2.22 -0.08 0.00 0.71 0.00 0.00 52.55 55.40 1tp8 s ASP 27 Cb 0.00 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.38 1tp8 s ASP 27 CO 0.00 -1.12 0.29 0.12 0.21 0.00 0.00 175.17 174.67 1tp8 s PHE 28 N -1.69 -0.37 -0.29 4.23 5.36 -0.89 -1.83 117.98 122.51 1tp8 s PHE 28 Ca 0.70 0.86 -0.20 0.00 -0.96 0.00 0.00 56.93 57.33 1tp8 s PHE 28 Cb -0.26 0.11 0.14 0.00 -0.34 0.00 0.00 43.02 42.67 1tp8 s PHE 28 CO 0.30 -0.21 1.01 -1.14 -1.46 0.00 0.00 175.22 173.71 1tp8 s GLN 29 N 0.75 0.43 0.09 10.12 -0.44 -0.50 -1.66 119.66 128.46 1tp8 s GLN 29 Ca -0.05 0.63 0.06 0.00 -2.50 0.00 0.00 55.36 53.50 1tp8 s GLN 29 Cb -0.06 0.15 -0.03 0.00 -1.64 0.00 0.00 33.01 31.42 1tp8 s GLN 29 CO -0.05 -0.07 -0.16 0.54 0.50 0.00 0.00 175.29 176.05 1tp8 s VAL 30 N 0.83 1.32 -0.36 1.34 0.11 -1.26 -0.11 120.40 122.26 1tp8 s VAL 30 Ca -0.03 -1.49 -0.10 0.00 -2.93 0.00 0.00 61.98 57.42 1tp8 s VAL 30 Cb -0.04 -1.33 0.03 0.00 -1.53 0.00 0.00 36.38 33.51 1tp8 s VAL 30 CO -0.11 -0.24 0.19 -0.69 -3.33 0.00 0.00 175.10 170.91 1tp8 s VAL 31 N -1.51 4.50 0.48 2.04 1.01 0.12 -2.04 120.40 125.00 1tp8 s VAL 31 Ca 0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1tp8 s VAL 31 Cb -0.08 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 1tp8 s VAL 31 CO 0.03 -0.20 0.72 -0.31 0.00 0.00 0.00 175.10 175.34 1tp8 s TYR 32 N 1.55 3.21 -0.01 5.22 2.02 0.13 -0.93 117.35 128.55 1tp8 s TYR 32 Ca 0.02 0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 56.88 1tp8 s TYR 32 Cb -0.19 -2.41 -0.06 0.00 -0.40 0.00 0.00 41.96 38.91 1tp8 s TYR 32 CO 0.06 -0.46 0.38 0.34 -1.57 0.00 0.00 175.55 174.30 1tp8 s ASP 33 N -4.24 6.76 -0.37 2.29 2.15 -0.43 0.17 116.67 122.99 1tp8 s ASP 33 Ca 0.50 0.90 0.00 0.00 0.43 0.00 0.00 52.55 54.38 1tp8 s ASP 33 Cb -0.10 -2.23 0.12 0.00 -0.30 0.00 0.00 42.92 40.41 1tp8 s ASP 33 CO 0.39 0.32 0.18 -0.22 -0.17 0.00 0.00 175.17 175.68 1tp8 s LEU 34 N -1.13 2.07 -1.43 -1.34 2.96 0.11 -1.96 118.68 117.96 1tp8 s LEU 34 Ca 0.23 -2.14 -0.11 0.00 -0.22 0.00 0.00 54.13 51.90 1tp8 s LEU 34 Cb -0.16 -0.81 0.04 0.00 0.50 0.00 0.00 46.19 45.76 1tp8 s LEU 34 CO 0.13 -0.33 1.09 0.59 -1.32 0.00 0.00 176.35 176.50 1tp8 n ASN 35 N 4.16 -5.52 0.00 3.68 5.03 -1.26 -2.15 115.26 119.21 1tp8 n ASN 35 Ca 0.05 -0.65 0.00 0.00 0.87 0.00 0.00 54.58 54.85 1tp8 n ASN 35 Cb 0.38 -4.54 0.00 0.00 -1.02 0.00 0.00 39.78 34.60 1tp8 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tp8 n GLY 36 N -1.85 0.41 3.15 7.41 0.00 -1.26 -5.08 105.19 107.97 1tp8 n GLY 36 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1tp8 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tp8 s SER 37 N -2.63 1.75 0.57 1.61 0.01 -0.91 -5.13 113.70 108.96 1tp8 s SER 37 Ca 0.00 -0.45 -0.21 0.00 1.31 0.00 0.00 55.95 56.61 1tp8 s SER 37 Cb 0.00 -0.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 1tp8 s SER 37 CO 0.00 0.06 1.26 -2.65 0.41 0.00 0.00 173.24 172.32 1tp8 n PRO 38 N 1.97 1.44 -3.61 12.44 -0.02 -1.26 0.05 135.00 146.01 1tp8 n PRO 38 Ca -0.18 0.54 -0.20 0.00 -2.02 0.00 0.00 63.50 61.64 1tp8 n PRO 38 Cb 0.55 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 1tp8 n PRO 38 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1tp8 s TYR 39 N -1.34 -0.05 -0.37 6.00 5.04 0.13 -4.72 117.35 122.03 1tp8 s TYR 39 Ca 0.74 0.18 -0.25 0.00 -2.44 0.00 0.00 57.07 55.29 1tp8 s TYR 39 Cb -0.42 -0.45 0.01 0.00 0.35 0.00 0.00 41.96 41.45 1tp8 s TYR 39 CO 0.48 -0.41 0.91 0.08 -1.34 0.00 0.00 175.55 175.26 1tp8 s VAL 40 N 2.24 4.60 0.61 3.14 1.01 -1.26 0.21 120.40 130.95 1tp8 s VAL 40 Ca 0.04 1.14 -0.14 0.00 0.00 0.00 0.00 61.98 63.02 1tp8 s VAL 40 Cb -0.14 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1tp8 s VAL 40 CO -0.08 -0.53 1.04 -0.83 0.00 0.00 0.00 175.10 174.70 1tp8 s GLY 41 N 1.89 1.90 0.63 4.51 0.00 -0.86 -4.96 107.32 110.42 1tp8 s GLY 41 Ca 0.37 0.18 -0.18 0.00 0.00 0.00 0.00 44.72 45.09 1tp8 s GLY 41 CO 0.19 0.48 1.22 -0.18 0.00 0.00 0.00 173.10 174.81 1tp8 n GLN 42 N -2.40 1.12 -3.42 2.90 7.27 -1.26 -4.67 117.38 116.92 1tp8 n GLN 42 Ca 0.08 0.43 -0.38 0.00 0.07 0.00 0.00 57.00 57.20 1tp8 n GLN 42 Cb 0.53 -2.45 -0.08 0.00 2.41 0.00 0.00 30.24 30.65 1tp8 n GLN 42 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1tp8 s ASN 43 N -1.30 6.39 -0.65 1.69 3.84 -1.26 -4.60 114.94 119.05 1tp8 s ASN 43 Ca 0.80 0.45 -0.17 0.00 0.21 0.00 0.00 52.86 54.16 1tp8 s ASN 43 Cb -0.39 -2.21 0.14 0.00 -0.55 0.00 0.00 41.25 38.24 1tp8 s ASN 43 CO 0.43 -0.06 0.66 -1.00 -2.79 0.00 0.00 177.10 174.34 1tp8 s HIS 44 N 1.30 3.30 0.33 0.43 3.76 -0.66 -5.03 115.29 118.72 1tp8 s HIS 44 Ca 0.17 -1.38 -0.02 0.00 -0.15 0.00 0.00 55.06 53.68 1tp8 s HIS 44 Cb -0.15 -3.90 -0.04 0.00 1.11 0.00 0.00 32.58 29.61 1tp8 s HIS 44 CO 0.08 -1.12 0.57 -1.54 -0.85 0.00 0.00 174.74 171.87 1tp8 s SER 45 N 3.26 6.35 0.39 1.40 1.04 -1.26 -2.10 113.70 122.78 1tp8 s SER 45 Ca 0.11 0.60 -0.17 0.00 0.48 0.00 0.00 55.95 56.98 1tp8 s SER 45 Cb -0.22 -2.10 -0.09 0.00 0.10 0.00 0.00 66.02 63.71 1tp8 s SER 45 CO 0.00 -0.28 0.84 -0.55 0.98 0.00 0.00 173.24 174.23 1tp8 s SER 46 N -3.68 6.78 0.44 7.02 0.15 -1.26 -4.87 113.70 118.27 1tp8 s SER 46 Ca 0.42 1.43 0.12 0.00 0.70 0.00 0.00 55.95 58.63 1tp8 s SER 46 Cb -0.10 -2.44 1.01 0.00 -1.71 0.00 0.00 66.02 62.78 1tp8 s SER 46 CO 0.35 -0.33 2.02 -0.26 1.20 0.00 0.00 173.24 176.22 1tp8 h PHE 47 N 1.83 0.41 -4.35 3.44 -1.00 -1.59 -3.44 116.94 112.24 1tp8 h PHE 47 Ca -0.48 0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.14 1tp8 h PHE 47 Cb 1.18 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.58 1tp8 h PHE 47 CO 0.62 0.22 -0.11 0.44 -1.61 0.00 0.00 178.31 177.87 1tp8 n ILE 48 N -4.47 0.00 -4.63 -0.55 -5.35 -1.26 -5.08 119.36 98.02 1tp8 n ILE 48 Ca 0.06 -0.61 -0.30 0.00 -0.27 0.00 0.00 62.75 61.63 1tp8 n ILE 48 Cb 0.25 -0.04 -0.07 0.00 -1.74 0.00 0.00 39.64 38.04 1tp8 n ILE 48 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1tp8 s SER 49 N -1.77 3.43 0.00 7.28 0.01 -1.26 -4.95 113.70 116.44 1tp8 s SER 49 Ca 0.03 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.56 1tp8 s SER 49 Cb -0.00 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1tp8 s SER 49 CO 0.02 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.31 1tp8 n GLY 50 N -1.10 1.12 3.99 3.44 0.00 -1.26 -5.12 105.19 106.26 1tp8 n GLY 50 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1tp8 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tp8 s PHE 51 N -2.00 2.98 -0.23 1.61 0.08 -1.26 -4.83 117.98 114.33 1tp8 s PHE 51 Ca 0.00 -0.23 -0.05 0.00 0.12 0.00 0.00 56.93 56.77 1tp8 s PHE 51 Cb 0.00 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1tp8 s PHE 51 CO 0.00 -0.29 -0.01 0.99 -0.10 0.00 0.00 175.22 175.81 1tp8 s THR 52 N -2.34 3.68 0.60 0.64 2.01 0.20 -4.82 115.64 115.62 1tp8 s THR 52 Ca 0.50 -0.39 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 1tp8 s THR 52 Cb -0.10 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1tp8 s THR 52 CO 0.33 0.40 1.33 -2.84 -0.69 0.00 0.00 174.62 173.16 1tp8 s PRO 53 N 1.48 2.80 -0.10 4.92 0.02 -1.26 -2.15 135.00 140.71 1tp8 s PRO 53 Ca 0.06 2.17 -0.07 0.00 0.02 0.00 0.00 61.00 63.17 1tp8 s PRO 53 Cb -0.14 -2.03 0.03 0.00 0.02 0.00 0.00 34.50 32.38 1tp8 s PRO 53 CO -0.01 -1.44 0.25 0.08 -0.33 0.00 0.00 177.00 175.55 1tp8 s VAL 54 N -1.34 -0.02 -0.20 3.83 1.01 -0.05 -4.95 120.40 118.69 1tp8 s VAL 54 Ca 0.78 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1tp8 s VAL 54 Cb -0.40 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 35.66 1tp8 s VAL 54 CO 0.44 0.02 -0.12 -0.75 0.00 0.00 0.00 175.10 174.70 1tp8 s LYS 55 N 0.58 2.17 -0.29 2.72 2.20 -1.26 -2.03 119.74 123.84 1tp8 s LYS 55 Ca -0.04 -0.89 -0.10 0.00 -0.36 0.00 0.00 55.97 54.58 1tp8 s LYS 55 Cb -0.05 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 1tp8 s LYS 55 CO -0.03 -0.41 0.16 0.42 -0.36 0.00 0.00 175.35 175.12 1tp8 s ILE 56 N 1.35 4.87 -0.33 5.43 1.01 0.40 -4.98 121.20 128.95 1tp8 s ILE 56 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1tp8 s ILE 56 Cb -0.16 -3.38 0.10 0.00 0.01 0.00 0.00 42.46 39.02 1tp8 s ILE 56 CO -0.08 0.19 0.03 -0.44 0.00 0.00 0.00 174.94 174.64 1tp8 s SER 57 N 1.68 4.74 0.55 3.58 0.01 -1.26 -0.19 113.70 122.81 1tp8 s SER 57 Ca 0.06 -2.08 -0.16 0.00 1.31 0.00 0.00 55.95 55.08 1tp8 s SER 57 Cb -0.16 -1.62 -0.06 0.00 0.21 0.00 0.00 66.02 64.39 1tp8 s SER 57 CO 0.08 -0.36 1.02 -0.76 0.41 0.00 0.00 173.24 173.63 1tp8 s LEU 58 N 0.92 3.57 -1.42 2.44 2.01 -1.12 -4.93 118.68 120.16 1tp8 s LEU 58 Ca 0.09 1.71 -0.10 0.00 0.01 0.00 0.00 54.13 55.83 1tp8 s LEU 58 Cb -0.19 -4.52 0.06 0.00 0.01 0.00 0.00 46.19 41.55 1tp8 s LEU 58 CO -0.08 -0.88 2.30 -0.67 1.01 0.00 0.00 176.35 178.03 1tp8 n ASP 59 N -1.78 5.93 -4.77 2.29 2.03 -1.26 -4.87 116.55 114.11 1tp8 n ASP 59 Ca 0.08 -2.91 -0.40 0.00 0.52 0.00 0.00 54.79 52.07 1tp8 n ASP 59 Cb 0.53 -1.54 0.01 0.00 -0.72 0.00 0.00 41.12 39.41 1tp8 n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1tp8 s PHE 60 N 1.44 2.52 -0.89 -0.67 2.19 -1.26 -1.69 117.98 119.62 1tp8 s PHE 60 Ca 0.51 1.23 0.17 0.00 0.33 0.00 0.00 56.93 59.16 1tp8 s PHE 60 Cb 0.14 -3.96 0.63 0.00 -1.31 0.00 0.00 43.02 38.53 1tp8 s PHE 60 CO -0.06 -2.94 1.55 -0.35 1.83 0.00 0.00 175.22 175.25 1tp8 n PRO 61 N 0.08 3.54 0.11 10.12 -0.04 -1.26 -4.85 135.00 142.70 1tp8 n PRO 61 Ca 0.03 -2.77 0.12 0.00 -0.04 0.00 0.00 63.50 60.84 1tp8 n PRO 61 Cb 0.41 -1.81 0.27 0.00 -0.04 0.00 0.00 33.50 32.33 1tp8 n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1tp8 h SER 62 N 3.39 0.00 -3.40 3.54 4.64 -1.81 -3.43 113.55 116.48 1tp8 h SER 62 Ca 0.00 -0.06 -0.65 0.00 -0.47 0.00 0.00 61.79 60.61 1tp8 h SER 62 Cb 1.37 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.25 1tp8 h SER 62 CO 0.21 0.03 -0.69 -0.70 -0.87 0.00 0.00 176.83 174.81 1tp8 s GLU 63 N -3.16 3.38 -0.07 4.77 2.12 -0.68 -4.99 118.70 120.07 1tp8 s GLU 63 Ca 0.08 -0.56 -0.23 0.00 0.36 0.00 0.00 54.97 54.62 1tp8 s GLU 63 Cb 0.11 -2.78 0.05 0.00 0.26 0.00 0.00 34.13 31.77 1tp8 s GLU 63 CO 0.66 0.35 0.53 1.52 -0.54 0.00 0.00 175.26 177.77 1tp8 s TYR 64 N 0.04 -0.48 0.22 5.30 -0.85 -1.26 -4.23 117.35 116.10 1tp8 s TYR 64 Ca -0.01 0.89 -0.32 0.00 -0.52 0.00 0.00 57.07 57.11 1tp8 s TYR 64 Cb -0.14 0.26 -0.12 0.00 0.38 0.00 0.00 41.96 42.34 1tp8 s TYR 64 CO 0.03 -0.48 1.67 -0.89 -1.52 0.00 0.00 175.55 174.36 1tp8 n ILE 65 N 1.38 0.27 0.14 -3.49 5.41 -1.26 -2.74 119.36 119.06 1tp8 n ILE 65 Ca -0.19 -0.07 0.02 0.00 1.00 0.00 0.00 62.75 63.51 1tp8 n ILE 65 Cb 0.56 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 1tp8 n ILE 65 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1tp8 n THR 66 N 3.41 0.00 -3.62 1.39 -2.24 -0.00 -4.73 114.28 108.48 1tp8 n THR 66 Ca 0.14 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 1tp8 n THR 66 Cb 0.34 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.55 1tp8 n THR 66 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1tp8 s GLU 67 N -0.69 0.62 0.02 -0.78 2.12 -0.85 -1.94 118.70 117.19 1tp8 s GLU 67 Ca 0.03 0.61 0.07 0.00 0.36 0.00 0.00 54.97 56.04 1tp8 s GLU 67 Cb 0.02 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 1tp8 s GLU 67 CO 0.07 -0.10 -0.20 0.08 -0.54 0.00 0.00 175.26 174.57 1tp8 s VAL 68 N 0.02 1.62 0.09 3.70 1.01 -0.92 -1.53 120.40 124.39 1tp8 s VAL 68 Ca 0.01 -1.08 -0.25 0.00 0.00 0.00 0.00 61.98 60.66 1tp8 s VAL 68 Cb -0.04 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 35.02 1tp8 s VAL 68 CO -0.03 0.27 0.62 -0.94 0.00 0.00 0.00 175.10 175.02 1tp8 s SER 69 N -0.95 -0.58 0.00 3.32 1.04 -0.92 -0.38 113.70 115.23 1tp8 s SER 69 Ca 0.07 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1tp8 s SER 69 Cb -0.08 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1tp8 s SER 69 CO 0.01 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1tp8 n GLY 70 N 0.08 2.14 3.08 7.32 0.00 -0.78 0.56 105.19 117.59 1tp8 n GLY 70 Ca -0.18 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 1tp8 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tp8 s TYR 71 N -3.61 0.87 0.16 1.61 2.02 -1.11 -1.85 117.35 115.45 1tp8 s TYR 71 Ca 0.00 -0.36 0.11 0.00 -0.37 0.00 0.00 57.07 56.44 1tp8 s TYR 71 Cb 0.00 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1tp8 s TYR 71 CO 0.00 -0.02 -0.24 0.95 -1.57 0.00 0.00 175.55 174.68 1tp8 s THR 72 N -0.94 2.42 -0.15 -0.71 -4.23 0.35 -0.89 115.64 111.50 1tp8 s THR 72 Ca -0.03 -1.87 -0.34 0.00 -1.18 0.00 0.00 61.69 58.27 1tp8 s THR 72 Cb -0.08 -2.13 0.14 0.00 1.34 0.00 0.00 72.50 71.78 1tp8 s THR 72 CO 0.01 -0.03 1.36 -0.83 -0.54 0.00 0.00 174.62 174.59 1tp8 s GLY 73 N -2.43 -0.37 -0.08 3.99 0.00 -0.91 -0.64 107.32 106.89 1tp8 s GLY 73 Ca 0.18 1.26 -0.30 0.00 0.00 0.00 0.00 44.72 45.87 1tp8 s GLY 73 CO 0.09 0.34 1.11 0.21 0.00 0.00 0.00 173.10 174.85 1tp8 s ASN 74 N -2.60 7.14 -0.09 1.64 3.84 -1.26 -1.40 114.94 122.21 1tp8 s ASN 74 Ca 0.13 1.68 -0.02 0.00 0.21 0.00 0.00 52.86 54.86 1tp8 s ASN 74 Cb 0.03 -2.56 0.03 0.00 -0.55 0.00 0.00 41.25 38.21 1tp8 s ASN 74 CO -0.05 -0.52 0.02 -0.69 -2.79 0.00 0.00 177.10 173.07 1tp8 s VAL 75 N 2.12 0.31 -1.36 -5.21 1.01 0.29 -4.83 120.40 112.73 1tp8 s VAL 75 Ca 0.52 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1tp8 s VAL 75 Cb -0.22 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.65 1tp8 s VAL 75 CO 0.20 0.16 0.48 -0.24 0.00 0.00 0.00 175.10 175.70 1tp8 n SER 76 N 5.16 -4.61 0.00 3.32 2.88 -1.26 -0.80 113.62 118.31 1tp8 n SER 76 Ca -0.07 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 1tp8 n SER 76 Cb 0.50 -3.78 0.00 0.00 -0.75 0.00 0.00 64.21 60.17 1tp8 n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tp8 n GLY 77 N -1.26 1.34 3.72 0.46 0.00 -1.26 -5.07 105.19 103.13 1tp8 n GLY 77 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1tp8 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tp8 s TYR 78 N -2.31 3.12 -0.29 1.61 2.02 0.02 -5.07 117.35 116.45 1tp8 s TYR 78 Ca 0.00 0.08 -0.19 0.00 -0.37 0.00 0.00 57.07 56.59 1tp8 s TYR 78 Cb 0.00 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 1tp8 s TYR 78 CO 0.00 0.50 0.56 0.08 -1.57 0.00 0.00 175.55 175.11 1tp8 s VAL 79 N -1.23 5.01 0.22 0.71 1.01 -1.26 0.10 120.40 124.95 1tp8 s VAL 79 Ca 0.24 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1tp8 s VAL 79 Cb -0.12 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1tp8 s VAL 79 CO 0.16 -0.06 0.09 0.68 0.00 0.00 0.00 175.10 175.97 1tp8 s VAL 80 N 2.44 0.35 -0.61 2.92 -7.23 -0.50 -4.79 120.40 112.98 1tp8 s VAL 80 Ca 0.22 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.14 1tp8 s VAL 80 Cb -0.15 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.36 1tp8 s VAL 80 CO 0.11 -0.11 1.12 -0.69 -0.31 0.00 0.00 175.10 175.23 1tp8 s VAL 81 N -3.90 4.09 0.05 1.32 1.01 0.31 -2.14 120.40 121.13 1tp8 s VAL 81 Ca 0.35 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1tp8 s VAL 81 Cb 0.07 -4.71 -0.28 0.00 0.00 0.00 0.00 36.38 31.47 1tp8 s VAL 81 CO 0.11 -1.38 1.05 0.03 0.00 0.00 0.00 175.10 174.91 1tp8 h ARG 82 N 9.57 0.24 -4.84 2.72 3.08 -1.31 -2.88 114.38 120.96 1tp8 h ARG 82 Ca -0.26 -0.41 -0.31 0.00 0.07 0.00 0.00 59.98 59.06 1tp8 h ARG 82 Cb 1.06 0.15 -0.15 0.00 0.08 0.00 0.00 29.97 31.12 1tp8 h ARG 82 CO 1.18 1.15 -0.64 0.45 -1.07 0.00 0.00 179.97 181.04 1tp8 s SER 83 N -7.04 1.21 -0.24 7.04 0.15 -1.04 -2.32 113.70 111.45 1tp8 s SER 83 Ca -0.05 -1.26 -0.23 0.00 0.70 0.00 0.00 55.95 55.10 1tp8 s SER 83 Cb 0.07 0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.58 1tp8 s SER 83 CO 0.87 -0.64 0.66 -0.22 1.20 0.00 0.00 173.24 175.11 1tp8 s LEU 84 N -3.23 -0.52 -0.01 3.45 2.96 -0.82 -2.74 118.68 117.77 1tp8 s LEU 84 Ca 0.30 1.32 0.01 0.00 -0.22 0.00 0.00 54.13 55.53 1tp8 s LEU 84 Cb 0.07 2.26 0.01 0.00 0.50 0.00 0.00 46.19 49.03 1tp8 s LEU 84 CO 0.08 -0.23 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.97 1tp8 s THR 85 N 0.32 0.20 -0.20 3.68 2.01 0.19 -2.07 115.64 119.77 1tp8 s THR 85 Ca -0.00 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1tp8 s THR 85 Cb -0.05 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.28 1tp8 s THR 85 CO 0.01 0.08 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.50 1tp8 s PHE 86 N 0.27 2.87 -0.13 4.92 0.08 -0.46 -2.17 117.98 123.37 1tp8 s PHE 86 Ca -0.02 -1.62 -0.00 0.00 0.12 0.00 0.00 56.93 55.40 1tp8 s PHE 86 Cb -0.05 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 1tp8 s PHE 86 CO -0.01 -0.78 -0.12 0.21 -0.10 0.00 0.00 175.22 174.42 1tp8 s LYS 87 N 1.30 3.39 0.21 0.44 2.20 -0.58 -0.00 119.74 126.70 1tp8 s LYS 87 Ca 0.03 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 55.00 1tp8 s LYS 87 Cb -0.14 -2.65 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 1tp8 s LYS 87 CO -0.10 0.23 0.17 0.25 -0.36 0.00 0.00 175.35 175.53 1tp8 n THR 88 N 3.48 0.00 1.16 3.43 -2.24 -0.07 -0.82 114.28 119.22 1tp8 n THR 88 Ca -0.18 -0.83 0.11 0.00 -2.27 0.00 0.00 64.05 60.88 1tp8 n THR 88 Cb 0.53 -0.35 0.60 0.00 -2.10 0.00 0.00 70.33 69.01 1tp8 n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1tp8 n ASN 89 N -2.00 0.00 -0.01 3.42 6.94 -1.11 -3.57 115.26 118.94 1tp8 n ASN 89 Ca -0.00 -0.16 -0.01 0.00 -0.02 0.00 0.00 54.58 54.39 1tp8 n ASN 89 Cb 0.24 -0.24 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1tp8 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1tp8 n LYS 90 N -1.24 3.02 -3.87 -3.83 5.02 -1.26 -5.06 118.16 110.93 1tp8 n LYS 90 Ca 0.12 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 1tp8 n LYS 90 Cb 0.17 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1tp8 n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1tp8 s LYS 91 N -2.05 2.11 -0.10 1.97 2.20 -1.23 -5.17 119.74 117.46 1tp8 s LYS 91 Ca -0.01 -1.45 0.03 0.00 -0.36 0.00 0.00 55.97 54.18 1tp8 s LYS 91 Cb 0.01 0.59 -0.00 0.00 -1.51 0.00 0.00 37.83 36.91 1tp8 s LYS 91 CO 0.08 -0.96 -0.22 0.99 -0.36 0.00 0.00 175.35 174.88 1tp8 s THR 92 N -2.68 2.28 -0.29 3.43 2.01 -1.26 -0.89 115.64 118.23 1tp8 s THR 92 Ca 0.18 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1tp8 s THR 92 Cb -0.04 -1.89 0.06 0.00 0.01 0.00 0.00 72.50 70.64 1tp8 s THR 92 CO 0.13 0.55 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.28 1tp8 s TYR 93 N 0.27 3.29 -0.81 4.92 1.51 1.00 -4.99 117.35 122.53 1tp8 s TYR 93 Ca -0.15 -2.03 0.00 0.00 -1.01 0.00 0.00 57.07 53.88 1tp8 s TYR 93 Cb -0.17 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.56 1tp8 s TYR 93 CO 0.08 -0.83 0.00 0.41 -1.11 0.00 0.00 175.55 174.10 1tp8 n GLY 94 N 4.57 0.44 3.84 0.71 0.00 -1.26 -1.35 105.19 112.13 1tp8 n GLY 94 Ca -0.13 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.33 1tp8 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tp8 s PRO 95 N -0.44 3.28 -0.05 1.61 0.04 -1.26 -5.02 135.00 133.16 1tp8 s PRO 95 Ca 0.00 0.88 0.05 0.00 0.04 0.00 0.00 61.00 61.97 1tp8 s PRO 95 Cb 0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1tp8 s PRO 95 CO 0.00 -0.82 -0.21 0.71 0.04 0.00 0.00 177.00 176.72 1tp8 s TYR 96 N -3.06 2.51 0.00 0.56 2.02 -0.88 -4.97 117.35 113.53 1tp8 s TYR 96 Ca 0.57 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 1tp8 s TYR 96 Cb -0.13 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 1tp8 s TYR 96 CO 0.53 -0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.87 1tp8 n GLY 97 N 2.66 -1.39 3.60 0.71 0.00 -1.26 -1.95 105.19 107.56 1tp8 n GLY 97 Ca -0.17 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1tp8 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tp8 s VAL 98 N 0.00 5.06 -1.36 1.61 1.01 -0.98 -4.87 120.40 120.87 1tp8 s VAL 98 Ca 0.00 0.69 -0.09 0.00 0.00 0.00 0.00 61.98 62.58 1tp8 s VAL 98 Cb 0.00 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.62 1tp8 s VAL 98 CO 0.00 -0.01 2.23 0.35 0.00 0.00 0.00 175.10 177.67 1tp8 n THR 99 N 5.25 4.53 -4.04 3.92 -2.24 -1.26 -3.71 114.28 116.74 1tp8 n THR 99 Ca -0.05 -3.97 -0.09 0.00 -2.27 0.00 0.00 64.05 57.68 1tp8 n THR 99 Cb 0.50 -2.33 -0.11 0.00 -2.10 0.00 0.00 70.33 66.29 1tp8 n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1tp8 s SER 100 N 1.14 0.43 0.00 3.42 0.15 -1.26 -5.09 113.70 112.49 1tp8 s SER 100 Ca 0.49 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1tp8 s SER 100 Cb 0.14 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1tp8 s SER 100 CO -0.05 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1tp8 n GLY 101 N 0.93 0.45 3.65 9.45 0.00 -1.26 -4.52 105.19 113.89 1tp8 n GLY 101 Ca -0.19 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1tp8 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tp8 s THR 102 N 0.00 5.18 0.89 2.61 2.01 0.19 -4.90 115.64 121.62 1tp8 s THR 102 Ca 0.00 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 1tp8 s THR 102 Cb 0.00 -3.40 0.13 0.00 0.01 0.00 0.00 72.50 69.25 1tp8 s THR 102 CO 0.00 0.38 1.17 -2.16 -0.69 0.00 0.00 174.62 173.32 1tp8 s PRO 103 N 0.89 1.27 -0.19 4.92 0.04 -1.26 -0.49 135.00 140.17 1tp8 s PRO 103 Ca 0.07 0.12 -0.27 0.00 0.04 0.00 0.00 61.00 60.95 1tp8 s PRO 103 Cb -0.13 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.62 1tp8 s PRO 103 CO 0.03 -2.08 0.77 -0.59 0.04 0.00 0.00 177.00 175.17 1tp8 s PHE 104 N -3.45 -0.68 0.04 0.56 -0.12 -0.77 -4.83 117.98 108.72 1tp8 s PHE 104 Ca 0.65 1.48 -0.06 0.00 -0.05 0.00 0.00 56.93 58.94 1tp8 s PHE 104 Cb -0.12 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.61 1tp8 s PHE 104 CO 0.52 -0.43 0.12 0.54 -0.05 0.00 0.00 175.22 175.91 1tp8 s ASN 105 N -0.26 0.14 -0.38 1.98 4.22 -1.26 -1.86 114.94 117.52 1tp8 s ASN 105 Ca -0.03 -0.48 0.02 0.00 -2.14 0.00 0.00 52.86 50.22 1tp8 s ASN 105 Cb -0.03 0.24 0.15 0.00 1.28 0.00 0.00 41.25 42.89 1tp8 s ASN 105 CO 0.03 -0.51 0.26 -0.22 -2.04 0.00 0.00 177.10 174.62 1tp8 s LEU 106 N -2.09 1.15 0.24 3.54 1.98 0.49 -5.00 118.68 119.00 1tp8 s LEU 106 Ca -0.05 -2.53 -0.30 0.00 -2.89 0.00 0.00 54.13 48.35 1tp8 s LEU 106 Cb -0.01 -0.41 -0.09 0.00 0.66 0.00 0.00 46.19 46.33 1tp8 s LEU 106 CO -0.04 -0.25 0.97 -2.16 -1.89 0.00 0.00 176.35 172.97 1tp8 s PRO 107 N 0.67 4.82 -0.31 0.98 0.05 -1.26 -2.15 135.00 137.79 1tp8 s PRO 107 Ca 0.24 1.54 -0.03 0.00 0.05 0.00 0.00 61.00 62.79 1tp8 s PRO 107 Cb -0.12 -3.27 0.05 0.00 0.05 0.00 0.00 34.50 31.20 1tp8 s PRO 107 CO -0.07 0.45 0.02 0.42 0.05 0.00 0.00 177.00 177.88 1tp8 s ILE 108 N -1.10 3.19 0.17 0.56 1.01 -0.82 -4.98 121.20 119.23 1tp8 s ILE 108 Ca 0.42 -1.31 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1tp8 s ILE 108 Cb -0.27 -2.82 -0.14 0.00 0.01 0.00 0.00 42.46 39.24 1tp8 s ILE 108 CO 0.33 -0.12 1.39 -0.08 0.00 0.00 0.00 174.94 176.47 1tp8 h GLU 109 N 8.05 0.26 -2.18 2.79 4.81 -1.97 -3.45 114.58 122.90 1tp8 h GLU 109 Ca -0.22 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1tp8 h GLU 109 Cb 1.07 0.07 -0.23 0.00 0.63 0.00 0.00 28.75 30.28 1tp8 h GLU 109 CO 0.55 0.96 -0.24 1.21 -0.73 0.00 0.00 179.01 180.76 1tp8 s ASN 110 N -6.95 -0.76 0.00 1.04 3.84 -1.26 -5.15 114.94 105.69 1tp8 s ASN 110 Ca -0.04 1.29 0.00 0.00 0.21 0.00 0.00 52.86 54.32 1tp8 s ASN 110 Cb 0.10 1.89 0.00 0.00 -0.55 0.00 0.00 41.25 42.69 1tp8 s ASN 110 CO 0.83 -0.23 0.00 0.61 -2.79 0.00 0.00 177.10 175.52 1tp8 n GLY 111 N 5.42 0.96 2.96 1.21 0.00 -1.26 -4.97 105.19 109.52 1tp8 n GLY 111 Ca -0.10 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 1tp8 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tp8 s LEU 112 N 0.00 1.70 -0.12 0.99 1.43 0.19 -4.95 118.68 117.92 1tp8 s LEU 112 Ca 0.00 0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 1tp8 s LEU 112 Cb 0.00 0.29 -0.02 0.00 0.03 0.00 0.00 46.19 46.49 1tp8 s LEU 112 CO 0.00 -0.05 1.20 -0.63 0.23 0.00 0.00 176.35 177.10 1tp8 s ILE 113 N -0.05 4.35 -0.05 -0.59 -1.09 -1.26 -1.78 121.20 120.73 1tp8 s ILE 113 Ca -0.01 1.65 0.07 0.00 -2.23 0.00 0.00 60.65 60.12 1tp8 s ILE 113 Cb -0.01 -4.06 0.10 0.00 -1.58 0.00 0.00 42.46 36.91 1tp8 s ILE 113 CO 0.00 -0.08 0.97 1.33 -1.23 0.00 0.00 174.94 175.94 1tp8 n VAL 114 N 5.00 0.88 -3.58 2.92 0.24 -0.01 -4.56 118.33 119.22 1tp8 n VAL 114 Ca 0.12 -1.02 -0.05 0.00 -2.04 0.00 0.00 64.34 61.36 1tp8 n VAL 114 Cb 0.46 0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 33.13 1tp8 n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tp8 s GLY 115 N -1.50 -0.34 0.03 7.63 0.00 -1.24 -1.61 107.32 110.29 1tp8 s GLY 115 Ca 0.11 1.33 -0.01 0.00 0.00 0.00 0.00 44.72 46.15 1tp8 s GLY 115 CO 0.01 0.43 -0.03 -1.36 0.00 0.00 0.00 173.10 172.15 1tp8 s PHE 116 N -2.60 0.37 -0.04 1.90 0.08 -1.25 -1.79 117.98 114.65 1tp8 s PHE 116 Ca 0.09 -0.76 -0.25 0.00 0.12 0.00 0.00 56.93 56.14 1tp8 s PHE 116 Cb -0.00 -0.27 0.05 0.00 -0.57 0.00 0.00 43.02 42.23 1tp8 s PHE 116 CO -0.05 -0.28 0.54 -1.59 -0.10 0.00 0.00 175.22 173.74 1tp8 s LYS 117 N -2.54 0.91 0.00 0.44 -2.85 -0.97 -0.81 119.74 113.92 1tp8 s LYS 117 Ca -0.06 0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 1tp8 s LYS 117 Cb -0.02 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1tp8 s LYS 117 CO -0.05 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.54 1tp8 n GLY 118 N 1.06 1.32 3.46 0.59 0.00 -0.39 -0.53 105.19 110.70 1tp8 n GLY 118 Ca -0.20 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1tp8 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tp8 s SER 119 N 2.00 -0.56 -0.04 1.61 0.15 -1.14 -0.15 113.70 115.56 1tp8 s SER 119 Ca 0.00 0.88 -0.01 0.00 0.70 0.00 0.00 55.95 57.53 1tp8 s SER 119 Cb 0.00 0.88 0.03 0.00 -1.71 0.00 0.00 66.02 65.21 1tp8 s SER 119 CO 0.00 -0.36 0.03 -0.63 1.20 0.00 0.00 173.24 173.48 1tp8 s ILE 120 N -0.38 0.03 0.00 6.45 1.01 -1.06 -0.63 121.20 126.62 1tp8 s ILE 120 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1tp8 s ILE 120 Cb -0.03 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.23 1tp8 s ILE 120 CO 0.04 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1tp8 n GLY 121 N 4.70 1.15 0.13 6.18 0.00 -1.26 -1.10 105.19 114.98 1tp8 n GLY 121 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1tp8 n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1tp8 h TYR 122 N 0.00 0.41 -2.11 1.61 -1.99 -1.96 -1.93 116.97 111.00 1tp8 h TYR 122 Ca 0.00 -0.17 -0.56 0.00 2.00 0.00 0.00 58.73 60.00 1tp8 h TYR 122 Cb 0.00 -0.07 -0.13 0.00 2.00 0.00 0.00 36.73 38.53 1tp8 h TYR 122 CO 0.00 0.88 -0.57 -1.58 -0.00 0.00 0.00 178.16 176.89 1tp8 s TRP 123 N -3.77 2.02 -0.31 4.88 0.51 -1.26 -4.58 118.94 116.43 1tp8 s TRP 123 Ca -0.14 -0.97 -0.29 0.00 -2.12 0.00 0.00 56.10 52.58 1tp8 s TRP 123 Cb 0.04 -1.42 -0.01 0.00 -0.81 0.00 0.00 33.47 31.27 1tp8 s TRP 123 CO 0.76 0.07 1.62 1.41 -0.51 0.00 0.00 176.95 180.30 1tp8 s MET 124 N -3.81 3.58 0.02 4.98 -2.45 -0.45 -4.44 119.30 116.73 1tp8 s MET 124 Ca 0.28 1.39 -0.26 0.00 -1.25 0.00 0.00 55.69 55.85 1tp8 s MET 124 Cb 0.06 -4.09 -0.17 0.00 1.25 0.00 0.00 34.83 31.89 1tp8 s MET 124 CO 0.14 -1.56 1.35 -0.44 1.05 0.00 0.00 175.02 175.56 1tp8 h ASP 125 N 11.46 -0.28 -5.00 1.11 3.32 -1.18 0.89 116.42 126.74 1tp8 h ASP 125 Ca -0.32 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1tp8 h ASP 125 Cb 1.14 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1tp8 h ASP 125 CO 1.03 0.03 0.27 -0.72 -1.72 0.00 0.00 179.24 178.13 1tp8 s TYR 126 N -4.97 0.12 -0.09 4.55 -0.85 -1.24 -4.09 117.35 110.79 1tp8 s TYR 126 Ca -0.15 -0.80 -0.30 0.00 -0.52 0.00 0.00 57.07 55.31 1tp8 s TYR 126 Cb 0.03 0.83 0.12 0.00 0.38 0.00 0.00 41.96 43.32 1tp8 s TYR 126 CO 0.59 -1.57 0.96 -0.59 -1.52 0.00 0.00 175.55 173.42 1tp8 s PHE 127 N -2.33 -0.35 0.15 -3.49 -0.71 -1.26 -2.89 117.98 107.10 1tp8 s PHE 127 Ca 0.15 0.41 0.02 0.00 -1.04 0.00 0.00 56.93 56.48 1tp8 s PHE 127 Cb -0.05 0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 42.21 1tp8 s PHE 127 CO 0.11 -0.43 -0.02 -1.12 -1.34 0.00 0.00 175.22 172.42 1tp8 s SER 128 N -1.81 1.27 0.05 1.98 0.01 0.31 -4.99 113.70 110.53 1tp8 s SER 128 Ca 0.02 -1.12 0.06 0.00 1.31 0.00 0.00 55.95 56.22 1tp8 s SER 128 Cb -0.01 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 1tp8 s SER 128 CO -0.03 -0.52 -0.17 -0.04 0.41 0.00 0.00 173.24 172.88 1tp8 s MET 129 N -3.88 1.09 -0.16 12.44 -1.94 -1.26 -2.30 119.30 123.30 1tp8 s MET 129 Ca 0.20 -0.90 -0.18 0.00 -1.71 0.00 0.00 55.69 53.10 1tp8 s MET 129 Cb 0.06 -1.18 -0.04 0.00 2.01 0.00 0.00 34.83 35.68 1tp8 s MET 129 CO 0.02 0.29 0.49 0.71 -0.01 0.00 0.00 175.02 176.52 1tp8 s TYR 130 N -0.93 3.45 0.12 -0.03 1.51 -0.74 -4.96 117.35 115.76 1tp8 s TYR 130 Ca 0.04 0.83 0.06 0.00 -1.01 0.00 0.00 57.07 56.98 1tp8 s TYR 130 Cb -0.09 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 1tp8 s TYR 130 CO 0.02 0.05 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.98 1tp8 s LEU 131 N 1.08 3.35 0.08 -1.29 1.02 -1.26 -0.83 118.68 120.84 1tp8 s LEU 131 Ca 0.25 -0.27 -0.26 0.00 0.02 0.00 0.00 54.13 53.86 1tp8 s LEU 131 Cb -0.15 -2.07 0.08 0.00 0.02 0.00 0.00 46.19 44.07 1tp8 s LEU 131 CO 0.10 0.15 0.81 -0.55 0.02 0.00 0.00 176.35 176.88 1tp8 s SER 132 N -2.47 -0.39 0.00 2.29 0.15 -0.73 -4.92 113.70 107.62 1tp8 s SER 132 Ca 0.25 -0.09 0.30 0.00 0.70 0.00 0.00 55.95 57.12 1tp8 s SER 132 Cb -0.11 0.48 1.52 0.00 -1.71 0.00 0.00 66.02 66.20 1tp8 s SER 132 CO 0.18 -0.80 2.01 0.18 1.20 0.00 0.00 173.24 176.01