#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d01 h LEU 5 N 0.00 1.01 -0.51 3.41 5.85 -2.05 0.07 115.31 123.09 3d01 h LEU 5 Ca 0.00 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.28 3d01 h LEU 5 Cb 0.00 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3d01 h LEU 5 CO 0.00 1.26 0.31 0.22 -0.34 0.00 0.00 178.44 179.89 3d01 h TYR 6 N 0.78 0.58 -0.26 1.25 3.20 -2.07 0.59 116.97 121.03 3d01 h TYR 6 Ca 0.06 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 3d01 h TYR 6 Cb 0.97 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3d01 h TYR 6 CO 0.06 0.34 -0.48 0.74 -1.64 0.00 0.00 178.16 177.18 3d01 h PHE 7 N 0.62 0.86 -0.91 -3.82 0.04 -1.96 -2.11 116.94 109.66 3d01 h PHE 7 Ca 0.20 -0.28 0.04 0.00 2.80 0.00 0.00 57.97 60.73 3d01 h PHE 7 Cb 0.00 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 37.93 3d01 h PHE 7 CO -0.06 1.04 0.58 0.37 -0.60 0.00 0.00 178.31 179.64 3d01 h GLN 8 N 0.55 1.09 -1.06 1.51 4.15 -0.69 -1.34 115.11 119.32 3d01 h GLN 8 Ca 0.03 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3d01 h GLN 8 Cb 1.03 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.48 3d01 h GLN 8 CO 0.10 0.72 0.00 0.41 -1.93 0.00 0.00 178.83 178.13 3d01 n GLY 9 N -1.34 0.34 1.05 2.39 0.00 0.17 -1.38 105.19 106.42 3d01 n GLY 9 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3d01 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d01 n SER 11 N 0.67 0.00 -0.25 1.61 7.64 -0.50 -0.95 113.62 121.84 3d01 n SER 11 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 3d01 n SER 11 Cb 0.07 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.41 3d01 n SER 11 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3d01 h ASP 12 N 0.00 0.49 -0.38 6.43 3.32 -1.50 -0.57 116.42 124.21 3d01 h ASP 12 Ca 0.00 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3d01 h ASP 12 Cb 0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3d01 h ASP 12 CO 0.00 0.28 0.12 0.58 -1.72 0.00 0.00 179.24 178.50 3d01 h VAL 13 N 0.62 1.21 0.24 -1.35 2.07 -1.32 0.65 116.25 118.38 3d01 h VAL 13 Ca 0.35 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3d01 h VAL 13 Cb 0.35 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3d01 h VAL 13 CO -0.26 0.24 -0.16 0.40 0.02 0.00 0.00 177.57 177.81 3d01 h ILE 14 N 0.47 0.65 -0.87 4.57 2.04 -1.67 -0.95 117.51 121.76 3d01 h ILE 14 Ca 0.12 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 3d01 h ILE 14 Cb 0.25 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3d01 h ILE 14 CO -0.00 0.00 0.53 -0.33 0.00 0.00 0.00 178.15 178.34 3d01 h GLU 15 N -0.39 1.17 -0.70 2.37 5.08 -1.05 -2.28 114.58 118.77 3d01 h GLU 15 Ca -0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3d01 h GLU 15 Cb 0.34 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3d01 h GLU 15 CO 0.01 0.82 0.40 0.78 -1.00 0.00 0.00 179.01 180.02 3d01 h GLY 16 N 1.20 1.04 1.02 -3.84 0.00 -0.67 -1.67 103.07 100.15 3d01 h GLY 16 Ca 0.31 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3d01 h GLY 16 CO -0.06 0.44 0.50 3.21 0.00 0.00 0.00 176.54 180.63 3d01 h ARG 17 N 0.96 1.16 -0.77 4.80 3.08 -0.76 -0.60 114.38 122.25 3d01 h ARG 17 Ca 0.25 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3d01 h ARG 17 Cb 0.01 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.78 3d01 h ARG 17 CO -0.04 0.83 0.41 1.25 -1.07 0.00 0.00 179.97 181.34 3d01 h LEU 18 N 1.17 0.98 -1.04 3.04 5.85 -1.22 -1.96 115.31 122.13 3d01 h LEU 18 Ca 0.30 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3d01 h LEU 18 Cb -0.03 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 3d01 h LEU 18 CO -0.05 0.81 0.65 0.11 -0.34 0.00 0.00 178.44 179.62 3d01 h LYS 19 N 1.08 1.28 0.00 1.25 1.57 -0.74 -1.49 116.57 119.52 3d01 h LYS 19 Ca 0.27 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3d01 h LYS 19 Cb 0.06 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 3d01 h LYS 19 CO -0.04 0.85 -0.07 0.93 -0.57 0.00 0.00 179.45 180.55 3d01 h GLU 20 N 1.32 0.00 -0.00 3.15 5.08 -0.51 0.64 114.58 124.27 3d01 h GLU 20 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3d01 h GLU 20 Cb -0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3d01 h GLU 20 CO -0.08 0.07 -0.08 1.28 -1.00 0.00 0.00 179.01 179.20 3d01 n LEU 21 N -4.15 0.13 0.00 1.33 4.77 -0.65 -4.93 117.00 113.50 3d01 n LEU 21 Ca -0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3d01 n LEU 21 Cb 0.15 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3d01 n LEU 21 CO 0.32 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3d01 n GLY 22 N 1.41 0.98 3.38 -0.72 0.00 0.22 -5.09 105.19 105.37 3d01 n GLY 22 Ca 0.10 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3d01 n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d01 s PHE 23 N -2.00 2.59 0.10 1.61 0.08 -0.68 -4.99 117.98 114.70 3d01 s PHE 23 Ca 0.00 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.64 3d01 s PHE 23 Cb 0.00 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 3d01 s PHE 23 CO 0.00 -0.02 0.15 0.95 -0.10 0.00 0.00 175.22 176.19 3d01 s THR 24 N -0.38 4.81 0.10 0.64 -4.23 -1.26 -2.61 115.64 112.71 3d01 s THR 24 Ca 0.03 -0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.50 3d01 s THR 24 Cb -0.12 -3.37 -0.06 0.00 1.34 0.00 0.00 72.50 70.29 3d01 s THR 24 CO 0.02 0.05 1.09 -0.76 -0.54 0.00 0.00 174.62 174.48 3d01 s LEU 25 N -2.67 4.43 0.00 4.79 1.43 -1.26 -5.04 118.68 120.36 3d01 s LEU 25 Ca 0.32 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 3d01 s LEU 25 Cb -0.12 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3d01 s LEU 25 CO 0.24 -0.29 0.00 -0.81 0.23 0.00 0.00 176.35 175.73 3d01 n PRO 26 N 3.19 0.00 0.00 1.29 -0.04 -1.26 -5.10 135.00 133.08 3d01 n PRO 26 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3d01 n PRO 26 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 3d01 n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d01 n ALA 33 N -3.00 0.00 0.93 0.55 0.00 -1.26 -4.89 120.51 112.84 3d01 n ALA 33 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3d01 n ALA 33 Cb 0.00 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.01 3d01 n ALA 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d01 n ASN 34 N 0.00 0.00 -4.56 0.00 5.03 -1.26 -4.62 115.26 109.85 3d01 n ASN 34 Ca 0.00 0.40 -0.27 0.00 0.87 0.00 0.00 54.58 55.58 3d01 n ASN 34 Cb 0.00 -0.46 -0.09 0.00 -1.02 0.00 0.00 39.78 38.20 3d01 n ASN 34 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 3d01 s TYR 35 N -2.93 2.64 0.25 3.10 -0.85 -1.26 -5.14 117.35 113.16 3d01 s TYR 35 Ca 0.14 -0.22 0.11 0.00 -0.52 0.00 0.00 57.07 56.59 3d01 s TYR 35 Cb 0.17 -1.30 -0.05 0.00 0.38 0.00 0.00 41.96 41.16 3d01 s TYR 35 CO 0.45 0.50 -0.17 0.14 -1.52 0.00 0.00 175.55 174.95 3d01 s VAL 36 N -1.62 2.68 -0.06 -3.49 -7.23 -1.26 -5.04 120.40 104.37 3d01 s VAL 36 Ca 0.24 -2.18 0.31 0.00 -1.81 0.00 0.00 61.98 58.54 3d01 s VAL 36 Cb -0.09 -2.38 0.35 0.00 0.56 0.00 0.00 36.38 34.82 3d01 s VAL 36 CO 0.15 -0.31 1.91 1.55 -0.31 0.00 0.00 175.10 178.09 3d01 h PRO 37 N 2.46 0.00 -2.44 4.82 0.13 -1.97 -3.42 132.00 131.57 3d01 h PRO 37 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3d01 h PRO 37 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 3d01 h PRO 37 CO 0.57 0.00 0.26 -0.59 -0.23 0.00 0.00 178.00 178.01 3d01 s PHE 38 N -3.58 -0.55 0.11 1.56 -0.12 -1.26 -0.45 117.98 113.68 3d01 s PHE 38 Ca 0.02 0.64 0.04 0.00 -0.05 0.00 0.00 56.93 57.57 3d01 s PHE 38 Cb 0.09 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 3d01 s PHE 38 CO 0.48 -0.69 -0.10 0.95 -0.05 0.00 0.00 175.22 175.82 3d01 s THR 39 N -2.54 0.95 -0.05 -4.49 -4.23 -0.18 -4.99 115.64 100.12 3d01 s THR 39 Ca -0.03 -1.77 0.05 0.00 -1.18 0.00 0.00 61.69 58.76 3d01 s THR 39 Cb -0.01 -1.50 -0.01 0.00 1.34 0.00 0.00 72.50 72.32 3d01 s THR 39 CO -0.03 -0.64 -0.22 -0.63 -0.54 0.00 0.00 174.62 172.56 3d01 s ILE 40 N -2.79 1.78 -0.14 2.99 1.01 -1.26 -0.36 121.20 122.42 3d01 s ILE 40 Ca 0.09 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 3d01 s ILE 40 Cb -0.01 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 40.99 3d01 s ILE 40 CO -0.01 0.50 -0.02 -0.55 0.00 0.00 0.00 174.94 174.86 3d01 s SER 41 N -0.07 2.46 1.79 3.58 0.15 0.09 -4.99 113.70 116.70 3d01 s SER 41 Ca -0.04 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3d01 s SER 41 Cb -0.13 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 3d01 s SER 41 CO 0.03 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3d01 n GLY 42 N 4.99 3.21 1.69 9.45 0.00 -1.26 -1.27 105.19 122.00 3d01 n GLY 42 Ca -0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 3d01 n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d01 n ASN 43 N 6.48 3.75 -4.37 1.61 6.94 -1.26 -4.93 115.26 123.47 3d01 n ASN 43 Ca 0.00 -3.47 -0.33 0.00 -0.02 0.00 0.00 54.58 50.77 3d01 n ASN 43 Cb 0.00 -0.72 -0.14 0.00 -2.36 0.00 0.00 39.78 36.56 3d01 n ASN 43 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3d01 s LEU 44 N -3.13 2.68 -0.23 -4.53 1.43 -0.40 -1.21 118.68 113.29 3d01 s LEU 44 Ca 0.51 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.23 3d01 s LEU 44 Cb 0.43 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 3d01 s LEU 44 CO 0.08 0.18 -0.01 -0.22 0.23 0.00 0.00 176.35 176.62 3d01 s LEU 45 N 0.24 3.10 -0.32 1.79 2.96 0.32 -0.73 118.68 126.03 3d01 s LEU 45 Ca -0.09 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.40 3d01 s LEU 45 Cb -0.16 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3d01 s LEU 45 CO 0.05 -0.01 0.18 -0.31 -1.32 0.00 0.00 176.35 174.94 3d01 s TYR 46 N 1.45 3.20 -0.18 5.38 2.02 0.51 -0.69 117.35 129.03 3d01 s TYR 46 Ca 0.05 -0.50 -0.07 0.00 -0.37 0.00 0.00 57.07 56.19 3d01 s TYR 46 Cb -0.15 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 3d01 s TYR 46 CO -0.01 -0.44 0.05 0.08 -1.57 0.00 0.00 175.55 173.66 3d01 s VAL 47 N 1.64 4.65 0.78 0.71 1.01 -0.00 -1.01 120.40 128.18 3d01 s VAL 47 Ca 0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 3d01 s VAL 47 Cb -0.17 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.18 3d01 s VAL 47 CO 0.07 0.45 1.21 -0.44 0.00 0.00 0.00 175.10 176.39 3d01 s SER 48 N 0.47 3.78 0.08 3.32 0.01 0.40 -2.81 113.70 118.95 3d01 s SER 48 Ca 0.02 2.36 -0.35 0.00 1.31 0.00 0.00 55.95 59.29 3d01 s SER 48 Cb -0.13 -2.59 -0.14 0.00 0.21 0.00 0.00 66.02 63.37 3d01 s SER 48 CO 0.01 -2.54 1.59 0.61 0.41 0.00 0.00 173.24 173.32 3d01 n GLY 49 N 0.43 1.04 3.69 3.44 0.00 -1.26 -4.62 105.19 107.91 3d01 n GLY 49 Ca 0.13 0.71 -0.33 0.00 0.00 0.00 0.00 46.02 46.54 3d01 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d01 s GLN 50 N 1.49 2.83 0.36 1.61 -1.52 0.17 -4.87 119.66 119.73 3d01 s GLN 50 Ca 0.83 -0.58 0.07 0.00 -1.95 0.00 0.00 55.36 53.73 3d01 s GLN 50 Cb -0.76 -2.70 -0.01 0.00 -0.22 0.00 0.00 33.01 29.32 3d01 s GLN 50 CO 0.43 0.63 0.42 -0.51 -0.25 0.00 0.00 175.29 176.01 3d01 s LEU 51 N -1.53 3.74 0.27 2.90 1.43 -1.26 -1.58 118.68 122.65 3d01 s LEU 51 Ca 0.19 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 3d01 s LEU 51 Cb -0.12 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 3d01 s LEU 51 CO 0.10 -0.48 0.96 -2.16 0.23 0.00 0.00 176.35 175.00 3d01 s PRO 52 N -4.14 4.73 0.00 1.29 0.04 -1.26 -4.04 135.00 131.62 3d01 s PRO 52 Ca 0.46 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3d01 s PRO 52 Cb -0.08 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.36 3d01 s PRO 52 CO 0.30 0.40 0.00 -1.91 0.04 0.00 0.00 177.00 175.82 3d01 n GLU 54 N 1.13 0.00 -3.01 4.56 2.13 0.29 -1.06 120.64 124.67 3d01 n GLU 54 Ca -0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 3d01 n GLU 54 Cb 0.48 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.21 3d01 n GLU 54 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3d01 n SER 55 N 0.00 -5.35 0.00 4.31 7.64 -1.26 -1.47 113.62 117.49 3d01 n SER 55 Ca 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.63 3d01 n SER 55 Cb 0.00 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 3d01 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d01 n GLY 56 N -1.34 0.51 3.37 0.23 0.00 -1.26 -5.02 105.19 101.67 3d01 n GLY 56 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 3d01 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d01 s LYS 57 N -0.37 1.39 -0.37 1.61 -0.14 -0.54 -5.09 119.74 116.22 3d01 s LYS 57 Ca 0.00 -1.57 -0.29 0.00 -1.36 0.00 0.00 55.97 52.75 3d01 s LYS 57 Cb 0.00 -1.33 0.01 0.00 -1.68 0.00 0.00 37.83 34.83 3d01 s LYS 57 CO 0.00 0.24 1.31 0.42 -0.76 0.00 0.00 175.35 176.56 3d01 s ILE 58 N -2.58 4.08 -0.11 2.17 -1.09 -1.26 -0.55 121.20 121.86 3d01 s ILE 58 Ca 0.22 1.17 0.14 0.00 -2.23 0.00 0.00 60.65 59.95 3d01 s ILE 58 Cb -0.03 -4.25 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 3d01 s ILE 58 CO 0.08 -0.65 1.30 0.00 -1.23 0.00 0.00 174.94 174.44 3d01 h ALA 59 N 9.74 0.62 -3.25 9.38 0.00 -1.39 -3.43 119.26 130.93 3d01 h ALA 59 Ca -0.26 -0.60 -0.45 0.00 0.00 0.00 0.00 54.91 53.60 3d01 h ALA 59 Cb 1.09 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.47 3d01 h ALA 59 CO 1.07 0.78 -0.76 0.08 0.00 0.00 0.00 179.25 180.41 3d01 s VAL 60 N -2.91 0.37 0.16 0.00 1.01 -1.26 -5.07 120.40 112.70 3d01 s VAL 60 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3d01 s VAL 60 Cb 0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3d01 s VAL 60 CO 0.77 0.13 -0.16 0.42 0.00 0.00 0.00 175.10 176.27 3d01 s THR 61 N 1.96 1.62 0.00 3.92 -4.23 -1.26 -1.61 115.64 116.04 3d01 s THR 61 Ca 0.04 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3d01 s THR 61 Cb -0.13 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.90 3d01 s THR 61 CO -0.06 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 3d01 n GLY 62 N 0.15 0.10 3.74 3.99 0.00 0.21 -4.68 105.19 108.70 3d01 n GLY 62 Ca -0.12 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3d01 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d01 s LEU 63 N -0.41 4.41 0.06 0.99 1.43 -1.26 -4.08 118.68 119.83 3d01 s LEU 63 Ca 0.00 1.39 -0.31 0.00 -1.03 0.00 0.00 54.13 54.18 3d01 s LEU 63 Cb 0.00 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.95 3d01 s LEU 63 CO 0.00 -0.03 1.30 -0.69 0.23 0.00 0.00 176.35 177.16 3d01 s VAL 64 N 0.20 3.74 0.00 -1.59 1.01 0.49 -0.83 120.40 123.42 3d01 s VAL 64 Ca 0.39 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.60 3d01 s VAL 64 Cb -0.20 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3d01 s VAL 64 CO 0.22 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3d01 n GLY 65 N 3.39 0.71 1.64 4.51 0.00 -0.58 -2.04 105.19 112.82 3d01 n GLY 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3d01 n GLY 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3d01 n ARG 66 N -2.07 0.00 -0.04 1.61 0.63 -0.83 -4.91 116.66 111.05 3d01 n ARG 66 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 3d01 n ARG 66 Cb 0.00 -0.15 -0.14 0.00 0.45 0.00 0.00 32.46 32.62 3d01 n ARG 66 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3d01 n ASP 67 N -3.30 0.54 -4.06 6.15 8.00 -0.01 -4.97 116.55 118.89 3d01 n ASP 67 Ca 0.00 0.25 -0.18 0.00 0.71 0.00 0.00 54.79 55.57 3d01 n ASP 67 Cb 0.00 0.43 -0.14 0.00 -0.02 0.00 0.00 41.12 41.40 3d01 n ASP 67 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3d01 s VAL 68 N -2.67 0.77 0.71 2.53 -7.23 -0.99 -4.93 120.40 108.60 3d01 s VAL 68 Ca -0.06 -0.68 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 3d01 s VAL 68 Cb 0.08 -0.70 0.13 0.00 0.56 0.00 0.00 36.38 36.45 3d01 s VAL 68 CO 0.83 0.03 0.98 1.51 -0.31 0.00 0.00 175.10 178.14 3d01 s ASP 69 N -0.74 4.37 0.14 4.85 1.47 -1.26 -1.53 116.67 123.98 3d01 s ASP 69 Ca 0.00 -0.51 -0.17 0.00 1.18 0.00 0.00 52.55 53.06 3d01 s ASP 69 Cb -0.06 0.16 -0.00 0.00 -0.34 0.00 0.00 42.92 42.67 3d01 s ASP 69 CO 0.00 -1.85 1.76 0.58 0.68 0.00 0.00 175.17 176.34 3d01 h VAL 70 N -0.47 1.13 -0.78 2.11 2.07 -1.99 -0.62 116.25 117.71 3d01 h VAL 70 Ca -0.34 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3d01 h VAL 70 Cb 1.27 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3d01 h VAL 70 CO 0.39 0.13 0.50 0.00 0.02 0.00 0.00 177.57 178.61 3d01 h ALA 71 N 1.08 1.02 -0.38 1.67 0.00 -1.98 0.25 119.26 120.93 3d01 h ALA 71 Ca 0.13 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3d01 h ALA 71 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3d01 h ALA 71 CO -0.02 0.32 -0.35 0.77 0.00 0.00 0.00 179.25 179.96 3d01 h SER 72 N 0.98 0.92 -0.21 0.00 0.02 -1.87 -2.56 113.55 110.83 3d01 h SER 72 Ca 0.31 -0.40 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 3d01 h SER 72 Cb -0.00 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3d01 h SER 72 CO -0.11 1.17 -0.07 0.00 -1.14 0.00 0.00 176.83 176.69 3d01 h ALA 73 N 0.87 1.26 -0.79 3.77 0.00 -0.40 -1.41 119.26 122.57 3d01 h ALA 73 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3d01 h ALA 73 Cb 0.92 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3d01 h ALA 73 CO 0.09 0.49 0.33 1.96 0.00 0.00 0.00 179.25 182.12 3d01 h GLN 74 N 0.52 1.16 -0.40 0.00 4.20 -0.26 0.06 115.11 120.38 3d01 h GLN 74 Ca 0.10 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3d01 h GLN 74 Cb 0.44 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3d01 h GLN 74 CO 0.02 0.93 0.17 -0.09 -0.67 0.00 0.00 178.83 179.19 3d01 h ARG 75 N 1.13 0.60 -0.75 1.46 9.65 -1.19 0.11 114.38 125.39 3d01 h ARG 75 Ca 0.26 -0.10 0.11 0.00 -1.10 0.00 0.00 59.98 59.16 3d01 h ARG 75 Cb 0.19 -0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 28.59 3d01 h ARG 75 CO -0.03 0.55 0.36 0.00 2.80 0.00 0.00 179.97 183.65 3d01 h ALA 76 N 1.02 1.06 -0.56 2.80 0.00 -0.67 -1.00 119.26 121.91 3d01 h ALA 76 Ca 0.14 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3d01 h ALA 76 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3d01 h ALA 76 CO -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 179.25 179.14 3d01 h ALA 77 N 1.48 0.76 -0.45 0.00 0.00 -0.28 0.13 119.26 120.90 3d01 h ALA 77 Ca 0.39 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3d01 h ALA 77 Cb 0.48 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3d01 h ALA 77 CO -0.32 0.60 0.21 0.93 0.00 0.00 0.00 179.25 180.67 3d01 h GLU 78 N 0.89 0.40 -0.64 0.00 5.08 -0.29 -0.92 114.58 119.11 3d01 h GLU 78 Ca 0.16 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3d01 h GLU 78 Cb 0.56 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3d01 h GLU 78 CO 0.03 0.27 0.20 -0.07 -1.00 0.00 0.00 179.01 178.44 3d01 h LEU 79 N 0.41 0.93 -0.66 1.33 3.38 -0.48 0.14 115.31 120.36 3d01 h LEU 79 Ca 0.20 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3d01 h LEU 79 Cb 0.14 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 3d01 h LEU 79 CO -0.16 0.89 0.26 0.00 0.09 0.00 0.00 178.44 179.52 3d01 h ALA 81 N 1.45 0.86 -0.76 0.00 0.00 -0.47 0.10 119.26 120.44 3d01 h ALA 81 Ca 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3d01 h ALA 81 Cb 0.44 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3d01 h ALA 81 CO -0.33 0.67 0.44 0.28 0.00 0.00 0.00 179.25 180.32 3d01 h VAL 82 N 1.01 1.22 -0.29 0.00 2.07 -0.34 -1.14 116.25 118.77 3d01 h VAL 82 Ca 0.18 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 3d01 h VAL 82 Cb 0.53 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3d01 h VAL 82 CO 0.03 0.24 -0.34 0.78 0.02 0.00 0.00 177.57 178.29 3d01 h ASN 83 N 1.04 0.67 -0.23 0.57 2.35 -0.73 -1.18 115.58 118.08 3d01 h ASN 83 Ca 0.27 -0.28 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3d01 h ASN 83 Cb -0.00 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3d01 h ASN 83 CO -0.05 0.96 0.02 0.40 -1.65 0.00 0.00 177.43 177.11 3d01 h ILE 84 N 0.54 0.86 -0.87 2.81 2.04 -0.70 -1.87 117.51 120.33 3d01 h ILE 84 Ca 0.06 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3d01 h ILE 84 Cb 0.84 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3d01 h ILE 84 CO 0.07 0.02 0.48 -0.07 0.00 0.00 0.00 178.15 178.65 3d01 h LEU 85 N 0.10 1.07 -0.69 1.44 3.38 -0.79 -0.49 115.31 119.33 3d01 h LEU 85 Ca 0.11 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3d01 h LEU 85 Cb 0.12 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3d01 h LEU 85 CO -0.16 0.86 0.42 0.00 0.09 0.00 0.00 178.44 179.64 3d01 h ALA 86 N 1.32 0.91 -0.48 1.53 0.00 -0.95 0.16 119.26 121.74 3d01 h ALA 86 Ca 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3d01 h ALA 86 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3d01 h ALA 86 CO -0.05 0.15 -0.15 1.96 0.00 0.00 0.00 179.25 181.16 3d01 h GLN 87 N 0.80 0.96 -0.64 0.00 1.08 -0.55 -2.00 115.11 114.76 3d01 h GLN 87 Ca 0.29 -0.38 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 3d01 h GLN 87 Cb 0.08 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3d01 h GLN 87 CO -0.13 1.05 0.25 0.28 -0.95 0.00 0.00 178.83 179.33 3d01 h VAL 88 N 0.81 1.24 -0.40 -0.54 2.07 -0.85 0.98 116.25 119.55 3d01 h VAL 88 Ca 0.12 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.95 3d01 h VAL 88 Cb 0.72 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3d01 h VAL 88 CO 0.06 0.29 0.14 0.50 0.02 0.00 0.00 177.57 178.57 3d01 h LYS 89 N 0.89 0.29 -0.30 1.57 3.64 -0.57 -0.63 116.57 121.47 3d01 h LYS 89 Ca 0.21 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3d01 h LYS 89 Cb 0.21 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3d01 h LYS 89 CO -0.02 0.19 0.15 0.00 -2.27 0.00 0.00 179.45 177.50 3d01 h ALA 90 N 1.26 0.38 -0.69 5.00 0.00 -0.92 0.82 119.26 125.12 3d01 h ALA 90 Ca 0.19 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3d01 h ALA 90 Cb 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3d01 h ALA 90 CO -0.19 -0.07 0.46 0.00 0.00 0.00 0.00 179.25 179.45 3d01 h ALA 91 N 1.01 1.86 -0.59 0.00 0.00 -0.53 -2.78 119.26 118.23 3d01 h ALA 91 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3d01 h ALA 91 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3d01 h ALA 91 CO -0.01 0.00 0.03 1.28 0.00 0.00 0.00 179.25 180.55 3d01 n LEU 92 N -4.49 5.80 -3.98 0.00 4.77 -0.27 -4.94 117.00 113.88 3d01 n LEU 92 Ca 0.11 -2.98 -0.32 0.00 -0.03 0.00 0.00 56.01 52.80 3d01 n LEU 92 Cb 0.32 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 3d01 n LEU 92 CO 0.33 0.65 0.08 0.59 -1.33 0.00 0.00 177.39 177.72 3d01 n ASN 93 N 0.52 -4.53 0.00 -1.43 4.13 -0.95 -2.39 115.26 110.62 3d01 n ASN 93 Ca 0.29 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.73 3d01 n ASN 93 Cb 1.23 -3.63 0.00 0.00 -1.54 0.00 0.00 39.78 35.84 3d01 n ASN 93 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d01 n GLY 94 N -1.62 0.68 2.96 7.41 0.00 0.23 -5.03 105.19 109.81 3d01 n GLY 94 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3d01 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d01 s ASP 95 N -2.67 4.74 0.30 1.61 2.15 -1.00 -4.92 116.67 116.87 3d01 s ASP 95 Ca 0.00 -3.35 0.23 0.00 0.43 0.00 0.00 52.55 49.86 3d01 s ASP 95 Cb 0.00 -1.69 1.09 0.00 -0.30 0.00 0.00 42.92 42.03 3d01 s ASP 95 CO 0.00 -0.19 1.70 0.18 -0.17 0.00 0.00 175.17 176.69 3d01 n LEU 96 N 2.69 0.64 0.05 -1.34 4.77 -1.26 -1.44 117.00 121.11 3d01 n LEU 96 Ca 0.12 0.72 0.10 0.00 -0.03 0.00 0.00 56.01 56.92 3d01 n LEU 96 Cb 0.34 -0.70 0.43 0.00 -2.33 0.00 0.00 43.42 41.16 3d01 n LEU 96 CO 0.32 -0.76 0.83 -1.54 -1.33 0.00 0.00 177.39 174.91 3d01 n SER 97 N -2.28 0.27 0.00 -1.43 3.41 -1.26 -2.29 113.62 110.04 3d01 n SER 97 Ca 0.00 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3d01 n SER 97 Cb 0.14 -0.61 0.68 0.00 -0.26 0.00 0.00 64.21 64.16 3d01 n SER 97 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d01 n LYS 98 N -1.78 0.51 -2.03 4.33 5.02 -0.52 -4.74 118.16 118.95 3d01 n LYS 98 Ca 0.04 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3d01 n LYS 98 Cb 0.25 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3d01 n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d01 s ILE 99 N -2.39 3.60 -0.11 -0.18 1.01 -0.97 -1.23 121.20 120.95 3d01 s ILE 99 Ca 0.29 0.71 -0.15 0.00 0.00 0.00 0.00 60.65 61.51 3d01 s ILE 99 Cb 0.17 -3.52 -0.27 0.00 0.01 0.00 0.00 42.46 38.85 3d01 s ILE 99 CO 0.36 -0.13 0.53 0.03 0.00 0.00 0.00 174.94 175.73 3d01 h ARG 100 N 10.07 0.24 -1.89 2.79 3.08 -0.94 -3.47 114.38 124.26 3d01 h ARG 100 Ca -0.37 -0.42 0.02 0.00 0.07 0.00 0.00 59.98 59.28 3d01 h ARG 100 Cb 1.17 0.16 -0.22 0.00 0.08 0.00 0.00 29.97 31.15 3d01 h ARG 100 CO 0.97 1.20 0.15 0.50 -1.07 0.00 0.00 179.97 181.72 3d01 s ARG 101 N -2.49 0.68 -0.45 0.04 6.06 -1.00 -4.68 118.95 117.11 3d01 s ARG 101 Ca -0.20 1.01 -0.29 0.00 -2.50 0.00 0.00 55.73 53.75 3d01 s ARG 101 Cb 0.05 0.22 0.02 0.00 0.06 0.00 0.00 34.95 35.30 3d01 s ARG 101 CO 0.76 -0.12 1.21 0.08 -2.50 0.00 0.00 175.30 174.74 3d01 s VAL 102 N 1.07 4.13 -0.04 7.11 1.01 -0.01 0.38 120.40 134.05 3d01 s VAL 102 Ca -0.05 1.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 3d01 s VAL 102 Cb -0.05 -4.49 -0.27 0.00 0.00 0.00 0.00 36.38 31.58 3d01 s VAL 102 CO -0.12 -0.92 0.97 0.40 0.00 0.00 0.00 175.10 175.43 3d01 h ILE 103 N 6.28 1.52 -2.46 2.22 1.08 -1.16 -3.35 117.51 121.64 3d01 h ILE 103 Ca -0.24 -2.27 -0.09 0.00 -0.39 0.00 0.00 64.86 61.86 3d01 h ILE 103 Cb 1.07 2.96 -0.23 0.00 -3.07 0.00 0.00 36.82 37.55 3d01 h ILE 103 CO 1.11 0.64 -0.11 -0.75 -0.69 0.00 0.00 178.15 178.36 3d01 s LYS 104 N -2.77 0.60 -0.09 2.37 2.47 -0.88 -1.46 119.74 119.99 3d01 s LYS 104 Ca -0.14 0.75 0.04 0.00 -1.56 0.00 0.00 55.97 55.06 3d01 s LYS 104 Cb 0.01 0.28 -0.01 0.00 -1.46 0.00 0.00 37.83 36.65 3d01 s LYS 104 CO 0.80 -0.08 -0.23 -0.51 0.16 0.00 0.00 175.35 175.49 3d01 s LEU 105 N 0.39 2.19 -0.29 5.43 1.43 -0.44 -1.36 118.68 126.01 3d01 s LEU 105 Ca -0.01 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 3d01 s LEU 105 Cb -0.04 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 3d01 s LEU 105 CO -0.01 0.19 0.10 0.20 0.23 0.00 0.00 176.35 177.07 3d01 s ASN 106 N 0.15 5.28 -0.35 2.29 -0.87 -0.75 -1.77 114.94 118.92 3d01 s ASN 106 Ca -0.12 -0.52 -0.10 0.00 -1.57 0.00 0.00 52.86 50.55 3d01 s ASN 106 Cb -0.16 -1.94 0.02 0.00 -0.02 0.00 0.00 41.25 39.15 3d01 s ASN 106 CO 0.07 -0.15 0.18 -0.83 -2.57 0.00 0.00 177.10 173.79 3d01 s GLY 107 N 1.57 1.90 -0.26 0.66 0.00 0.12 -1.79 107.32 109.51 3d01 s GLY 107 Ca 0.04 -1.59 -0.07 0.00 0.00 0.00 0.00 44.72 43.09 3d01 s GLY 107 CO 0.04 0.78 0.08 -1.36 0.00 0.00 0.00 173.10 172.64 3d01 s PHE 108 N 1.56 3.10 -0.26 1.90 0.08 1.00 -1.50 117.98 123.86 3d01 s PHE 108 Ca 0.03 -0.51 -0.00 0.00 0.12 0.00 0.00 56.93 56.56 3d01 s PHE 108 Cb -0.18 -2.25 0.04 0.00 -0.57 0.00 0.00 43.02 40.06 3d01 s PHE 108 CO 0.06 -0.40 -0.07 0.08 -0.10 0.00 0.00 175.22 174.79 3d01 s VAL 109 N 1.60 2.63 -0.04 -0.44 1.01 -0.07 -0.78 120.40 124.31 3d01 s VAL 109 Ca 0.06 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 3d01 s VAL 109 Cb -0.16 -2.41 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 3d01 s VAL 109 CO 0.04 0.10 1.86 0.00 0.00 0.00 0.00 175.10 177.09 3d01 s ALA 110 N 1.24 3.49 0.00 5.51 0.00 0.07 -4.28 121.76 127.79 3d01 s ALA 110 Ca -0.03 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.03 3d01 s ALA 110 Cb -0.18 -3.84 -0.01 0.00 0.00 0.00 0.00 23.12 19.10 3d01 s ALA 110 CO -0.05 -1.66 -0.08 -1.12 0.00 0.00 0.00 175.76 172.85 3d01 s SER 111 N 4.42 0.95 0.60 0.00 0.01 -1.26 -0.38 113.70 118.04 3d01 s SER 111 Ca 0.83 -0.19 -0.16 0.00 1.31 0.00 0.00 55.95 57.74 3d01 s SER 111 Cb -0.37 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 3d01 s SER 111 CO 0.36 0.07 1.07 0.68 0.41 0.00 0.00 173.24 175.82 3d01 s VAL 112 N -0.32 3.69 0.42 3.43 -7.23 -0.86 -4.65 120.40 114.87 3d01 s VAL 112 Ca 0.02 0.82 0.39 0.00 -1.81 0.00 0.00 61.98 61.40 3d01 s VAL 112 Cb -0.04 -3.34 0.41 0.00 0.56 0.00 0.00 36.38 33.97 3d01 s VAL 112 CO -0.00 -0.45 2.20 -0.65 -0.31 0.00 0.00 175.10 175.88 3d01 h PRO 113 N 0.46 0.00 -0.00 4.82 0.11 -1.99 -0.51 132.00 134.88 3d01 h PRO 113 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d01 h PRO 113 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3d01 h PRO 113 CO 0.57 0.00 -0.11 0.39 -0.21 0.00 0.00 178.00 178.64 3d01 n GLU 114 N -2.97 0.02 -3.23 1.05 4.71 -1.26 -4.79 120.64 114.16 3d01 n GLU 114 Ca -0.02 -0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.73 3d01 n GLU 114 Cb 0.12 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 28.99 3d01 n GLU 114 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3d01 s PHE 115 N -2.98 3.38 -0.05 -0.32 5.36 -0.20 -4.92 117.98 118.25 3d01 s PHE 115 Ca 0.14 0.80 0.19 0.00 -0.96 0.00 0.00 56.93 57.10 3d01 s PHE 115 Cb 0.19 -2.68 0.37 0.00 -0.34 0.00 0.00 43.02 40.55 3d01 s PHE 115 CO 0.57 -0.10 1.16 1.33 -1.46 0.00 0.00 175.22 176.72 3d01 n VAL 116 N 4.52 0.51 -1.85 3.12 0.24 -1.26 -4.82 118.33 118.79 3d01 n VAL 116 Ca -0.04 -1.36 -0.17 0.00 -2.04 0.00 0.00 64.34 60.73 3d01 n VAL 116 Cb 0.50 0.64 0.08 0.00 -1.47 0.00 0.00 33.84 33.59 3d01 n VAL 116 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3d01 n GLU 117 N 0.04 2.99 -0.04 7.34 1.02 -1.26 -4.75 120.64 125.96 3d01 n GLU 117 Ca 0.08 -3.86 0.09 0.00 -0.02 0.00 0.00 57.16 53.46 3d01 n GLU 117 Cb 0.98 -2.10 0.48 0.00 -0.02 0.00 0.00 31.44 30.78 3d01 n GLU 117 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3d01 h GLN 118 N 1.82 0.43 -0.77 3.49 7.50 -1.92 -1.43 115.11 124.23 3d01 h GLN 118 Ca 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.40 3d01 h GLN 118 Cb 1.39 -0.10 -0.04 0.00 0.05 0.00 0.00 27.48 28.78 3d01 h GLN 118 CO 0.62 0.29 0.43 1.12 -1.50 0.00 0.00 178.83 179.78 3d01 h HIS 119 N 0.44 1.05 -0.49 2.96 2.07 -1.86 -1.06 115.15 118.26 3d01 h HIS 119 Ca 0.22 -0.02 -0.09 0.00 -2.85 0.00 0.00 60.37 57.63 3d01 h HIS 119 Cb 0.32 -0.34 -0.02 0.00 2.57 0.00 0.00 27.41 29.94 3d01 h HIS 119 CO -0.00 0.74 -0.07 -0.07 -3.07 0.00 0.00 177.93 175.46 3d01 h LEU 120 N 1.06 0.85 -0.04 6.12 3.38 -1.66 -1.19 115.31 123.84 3d01 h LEU 120 Ca 0.27 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3d01 h LEU 120 Cb 0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3d01 h LEU 120 CO -0.04 0.95 0.02 0.58 0.09 0.00 0.00 178.44 180.04 3d01 h VAL 121 N 0.79 1.07 0.00 1.22 2.07 -0.92 -2.89 116.25 117.60 3d01 h VAL 121 Ca 0.14 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3d01 h VAL 121 Cb 0.57 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3d01 h VAL 121 CO 0.03 0.06 -0.22 0.40 0.02 0.00 0.00 177.57 177.87 3d01 h ILE 122 N -0.02 0.62 -0.94 4.57 1.08 -1.08 -1.87 117.51 119.87 3d01 h ILE 122 Ca 0.01 -0.99 0.24 0.00 -0.39 0.00 0.00 64.86 63.73 3d01 h ILE 122 Cb 0.08 1.65 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 3d01 h ILE 122 CO -0.00 0.21 0.64 0.78 -0.69 0.00 0.00 178.15 179.09 3d01 h ASN 123 N 0.00 0.25 -0.46 1.72 2.35 -0.99 -0.40 115.58 118.05 3d01 h ASN 123 Ca -0.00 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.87 3d01 h ASN 123 Cb 0.63 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.89 3d01 h ASN 123 CO 0.03 0.08 -0.29 1.23 -1.65 0.00 0.00 177.43 176.83 3d01 h GLY 124 N 0.24 -0.09 0.79 2.83 0.00 -1.39 0.14 103.07 105.59 3d01 h GLY 124 Ca 0.48 0.37 -0.06 0.00 0.00 0.00 0.00 47.33 48.12 3d01 h GLY 124 CO -0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 176.54 176.08 3d01 h ALA 125 N 0.96 0.26 -0.66 3.60 0.00 -1.28 -2.76 119.26 119.39 3d01 h ALA 125 Ca 0.20 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3d01 h ALA 125 Cb 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3d01 h ALA 125 CO -0.57 0.12 0.08 0.77 0.00 0.00 0.00 179.25 179.65 3d01 h SER 126 N 0.08 1.07 -0.32 0.00 0.02 -0.93 -0.71 113.55 112.77 3d01 h SER 126 Ca 0.04 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 3d01 h SER 126 Cb 0.63 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3d01 h SER 126 CO 0.03 1.08 -0.02 0.78 -1.14 0.00 0.00 176.83 177.56 3d01 h ASN 127 N 1.03 0.56 -0.24 3.07 2.35 -0.80 -1.72 115.58 119.84 3d01 h ASN 127 Ca 0.20 -0.32 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3d01 h ASN 127 Cb 0.48 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3d01 h ASN 127 CO 0.02 0.75 0.11 0.25 -1.65 0.00 0.00 177.43 176.91 3d01 h LEU 128 N 0.36 0.16 -0.23 1.61 6.46 -1.19 0.32 115.31 122.81 3d01 h LEU 128 Ca 0.09 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3d01 h LEU 128 Cb 0.47 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3d01 h LEU 128 CO 0.02 0.13 0.02 0.40 -0.62 0.00 0.00 178.44 178.38 3d01 h ILE 129 N 0.24 1.24 -0.58 4.05 1.08 -1.10 -1.23 117.51 121.22 3d01 h ILE 129 Ca 0.10 -0.83 -0.08 0.00 -0.39 0.00 0.00 64.86 63.66 3d01 h ILE 129 Cb 0.03 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3d01 h ILE 129 CO -0.07 0.26 0.05 0.00 -0.69 0.00 0.00 178.15 177.70 3d01 h ALA 130 N 0.82 1.00 -0.46 1.87 0.00 -1.29 -1.25 119.26 119.96 3d01 h ALA 130 Ca 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3d01 h ALA 130 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3d01 h ALA 130 CO 0.01 0.62 0.22 1.15 0.00 0.00 0.00 179.25 181.25 3d01 h THR 131 N 0.90 1.19 0.00 0.00 2.02 -0.53 0.18 112.91 116.66 3d01 h THR 131 Ca 0.18 -0.53 -0.22 0.00 0.77 0.00 0.00 66.41 66.61 3d01 h THR 131 Cb 0.45 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 3d01 h THR 131 CO 0.02 0.21 -1.18 -0.37 0.37 0.00 0.00 175.52 174.56 3d01 h VAL 132 N 0.60 1.29 0.00 3.16 -1.51 -1.08 -3.33 116.25 115.38 3d01 h VAL 132 Ca 0.16 -2.99 0.00 0.00 -1.23 0.00 0.00 66.70 62.64 3d01 h VAL 132 Cb 0.12 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 3d01 h VAL 132 CO -0.02 0.73 -1.43 0.18 -1.23 0.00 0.00 177.57 175.80 3d01 n LEU 133 N -3.21 0.51 0.00 4.19 4.77 -0.48 -4.56 117.00 118.21 3d01 n LEU 133 Ca -0.05 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3d01 n LEU 133 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3d01 n LEU 133 CO 0.45 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3d01 n GLY 134 N 1.40 0.76 0.24 -0.72 0.00 0.63 -4.08 105.19 103.42 3d01 n GLY 134 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.25 3d01 n GLY 134 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3d01 h GLU 135 N 0.00 0.40 -0.19 1.61 4.57 -1.97 0.73 114.58 119.73 3d01 h GLU 135 Ca 0.00 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3d01 h GLU 135 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3d01 h GLU 135 CO 0.00 0.27 0.38 -1.35 -1.18 0.00 0.00 179.01 177.13 3d01 h PRO 136 N 0.42 0.00 0.00 0.92 0.11 -1.84 -2.04 132.00 129.57 3d01 h PRO 136 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3d01 h PRO 136 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3d01 h PRO 136 CO -0.33 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.24 3d01 h GLY 137 N 0.00 0.00 -4.37 -0.55 0.00 -1.02 0.01 103.07 97.14 3d01 h GLY 137 Ca 0.09 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.89 3d01 h GLY 137 CO -0.00 0.00 0.63 0.50 0.00 0.00 0.00 176.54 177.67 3d01 s ARG 138 N -3.16 4.40 0.04 4.80 0.52 -0.77 -4.30 118.95 120.48 3d01 s ARG 138 Ca 0.09 1.95 -0.00 0.00 -0.52 0.00 0.00 55.73 57.25 3d01 s ARG 138 Cb 0.11 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 3d01 s ARG 138 CO 0.57 -0.27 -0.03 -3.38 0.02 0.00 0.00 175.30 172.21 3d01 s HIS 139 N 0.60 0.42 0.80 -0.53 -3.43 -1.26 -4.51 115.29 107.38 3d01 s HIS 139 Ca 0.59 -0.80 -0.11 0.00 -0.80 0.00 0.00 55.06 53.94 3d01 s HIS 139 Cb -0.34 -0.31 0.07 0.00 -1.43 0.00 0.00 32.58 30.58 3d01 s HIS 139 CO 0.33 -0.28 1.09 0.00 -2.00 0.00 0.00 174.74 173.88 3d01 s ALA 140 N -2.71 2.11 0.02 -1.38 0.00 -0.53 -4.93 121.76 114.34 3d01 s ALA 140 Ca -0.04 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.74 3d01 s ALA 140 Cb -0.01 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.96 3d01 s ALA 140 CO -0.05 -1.85 0.56 0.50 0.00 0.00 0.00 175.76 174.92 3d01 s ARG 141 N -4.98 1.02 0.05 0.00 3.52 -1.26 -1.33 118.95 115.97 3d01 s ARG 141 Ca 0.61 -0.08 0.07 0.00 -0.13 0.00 0.00 55.73 56.20 3d01 s ARG 141 Cb -0.16 0.47 -0.03 0.00 -1.56 0.00 0.00 34.95 33.67 3d01 s ARG 141 CO 0.56 -0.35 -0.18 0.00 -0.81 0.00 0.00 175.30 174.52 3d01 s ALA 142 N -1.99 1.55 -0.07 6.12 0.00 -0.73 -4.97 121.76 121.67 3d01 s ALA 142 Ca -0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 3d01 s ALA 142 Cb -0.01 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3d01 s ALA 142 CO 0.02 0.33 -0.02 0.00 0.00 0.00 0.00 175.76 176.09 3d01 s ALA 143 N -0.87 0.74 0.04 0.00 0.00 -1.26 -0.70 121.76 119.71 3d01 s ALA 143 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 3d01 s ALA 143 Cb -0.09 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3d01 s ALA 143 CO 0.02 -0.33 0.04 0.14 0.00 0.00 0.00 175.76 175.62 3d01 s VAL 144 N 1.65 0.15 0.40 0.00 -7.23 -0.56 -4.79 120.40 110.02 3d01 s VAL 144 Ca 0.00 -1.23 0.05 0.00 -1.81 0.00 0.00 61.98 58.99 3d01 s VAL 144 Cb -0.13 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.91 3d01 s VAL 144 CO -0.04 -0.68 0.57 -0.83 -0.31 0.00 0.00 175.10 173.81 3d01 s GLY 145 N -2.17 1.69 -0.22 2.32 0.00 -1.26 -0.89 107.32 106.79 3d01 s GLY 145 Ca -0.04 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.32 3d01 s GLY 145 CO -0.05 -1.25 -0.15 0.00 0.00 0.00 0.00 173.10 171.65 3d01 n ALA 147 N -1.87 1.53 -3.58 3.20 0.00 -1.26 -4.87 120.51 113.66 3d01 n ALA 147 Ca 0.03 -0.99 0.03 0.00 0.00 0.00 0.00 53.44 52.50 3d01 n ALA 147 Cb 0.58 -0.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 3d01 n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3d01 s SER 148 N -5.99 -0.03 0.06 0.00 1.04 -1.26 -4.61 113.70 102.90 3d01 s SER 148 Ca -0.26 -0.06 -0.04 0.00 0.48 0.00 0.00 55.95 56.07 3d01 s SER 148 Cb 0.07 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 3d01 s SER 148 CO 0.55 -0.13 0.06 -0.76 0.98 0.00 0.00 173.24 173.94 3d01 s LEU 149 N -2.95 2.02 0.16 2.42 1.43 -1.26 -4.91 118.68 115.58 3d01 s LEU 149 Ca 0.14 -0.79 -0.33 0.00 -1.03 0.00 0.00 54.13 52.12 3d01 s LEU 149 Cb 0.06 0.54 -0.16 0.00 0.03 0.00 0.00 46.19 46.66 3d01 s LEU 149 CO -0.05 -0.62 1.13 -2.65 0.23 0.00 0.00 176.35 174.39 3d01 n PRO 150 N 0.21 1.01 -1.39 1.29 -0.02 -1.26 -1.41 135.00 133.43 3d01 n PRO 150 Ca -0.15 0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 3d01 n PRO 150 Cb 0.61 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 3d01 n PRO 150 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3d01 n PHE 151 N 1.46 0.00 -1.75 6.00 3.72 -1.26 -1.72 117.46 123.90 3d01 n PHE 151 Ca 0.16 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.40 3d01 n PHE 151 Cb 0.23 -2.65 -0.05 0.00 -0.94 0.00 0.00 39.48 36.08 3d01 n PHE 151 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3d01 n ASN 152 N -0.76 -4.84 -4.68 4.37 5.15 -0.50 -4.93 115.26 109.06 3d01 n ASN 152 Ca -0.13 0.25 -0.41 0.00 -0.60 0.00 0.00 54.58 53.68 3d01 n ASN 152 Cb 0.53 -3.81 0.01 0.00 -0.53 0.00 0.00 39.78 35.97 3d01 n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3d01 n ALA 153 N 0.22 1.01 0.16 5.20 0.00 -0.70 -0.62 120.51 125.78 3d01 n ALA 153 Ca -0.17 0.27 0.04 0.00 0.00 0.00 0.00 53.44 53.58 3d01 n ALA 153 Cb 0.56 -2.22 0.20 0.00 0.00 0.00 0.00 19.45 18.00 3d01 n ALA 153 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3d01 h SER 154 N 1.99 0.00 -4.53 0.00 0.02 -1.45 -3.38 113.55 106.19 3d01 h SER 154 Ca -0.47 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.33 3d01 h SER 154 Cb 1.30 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.62 3d01 h SER 154 CO 0.59 0.45 -0.44 -0.69 -1.14 0.00 0.00 176.83 175.60 3d01 s VAL 155 N -3.33 0.05 -0.01 2.27 1.01 -1.26 -0.75 120.40 118.38 3d01 s VAL 155 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3d01 s VAL 155 Cb 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 36.06 3d01 s VAL 155 CO 0.71 -0.21 -0.03 -0.70 0.00 0.00 0.00 175.10 174.86 3d01 s GLU 156 N -0.80 0.36 -0.03 2.72 2.12 0.04 -4.04 118.70 119.06 3d01 s GLU 156 Ca -0.09 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.14 3d01 s GLU 156 Cb -0.05 -0.38 0.02 0.00 0.26 0.00 0.00 34.13 33.99 3d01 s GLU 156 CO 0.02 0.04 -0.00 0.42 -0.54 0.00 0.00 175.26 175.19 3d01 s ILE 157 N 0.15 0.17 0.46 -3.70 1.01 -0.61 -0.00 121.20 118.67 3d01 s ILE 157 Ca -0.01 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.77 3d01 s ILE 157 Cb -0.04 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 3d01 s ILE 157 CO -0.00 0.13 0.21 1.51 0.00 0.00 0.00 174.94 176.79 3d01 s ASP 158 N 0.91 4.44 0.06 3.58 1.47 -0.74 -0.66 116.67 125.73 3d01 s ASP 158 Ca -0.09 -1.19 -0.20 0.00 1.18 0.00 0.00 52.55 52.25 3d01 s ASP 158 Cb -0.12 -0.15 0.04 0.00 -0.34 0.00 0.00 42.92 42.35 3d01 s ASP 158 CO -0.02 -0.71 0.46 0.00 0.68 0.00 0.00 175.17 175.58 3d01 s ALA 159 N -2.67 -1.15 -0.08 2.11 0.00 -1.12 -1.81 121.76 117.03 3d01 s ALA 159 Ca 0.35 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.71 3d01 s ALA 159 Cb 0.02 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.59 3d01 s ALA 159 CO 0.20 -0.52 -0.13 0.42 0.00 0.00 0.00 175.76 175.73 3d01 s ILE 160 N -2.73 1.24 -0.04 0.00 1.01 -0.47 -0.82 121.20 119.40 3d01 s ILE 160 Ca -0.04 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.12 3d01 s ILE 160 Cb -0.00 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.33 3d01 s ILE 160 CO -0.04 0.38 -0.12 -0.69 0.00 0.00 0.00 174.94 174.47 3d01 s VAL 161 N 0.80 1.08 -0.09 2.92 1.01 0.14 -0.60 120.40 125.66 3d01 s VAL 161 Ca -0.12 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 3d01 s VAL 161 Cb -0.15 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3d01 s VAL 161 CO 0.02 0.33 0.72 -0.70 0.00 0.00 0.00 175.10 175.47 3d01 s GLU 162 N 0.27 4.40 0.12 2.72 2.12 0.16 -0.53 118.70 127.97 3d01 s GLU 162 Ca -0.06 0.90 0.08 0.00 0.36 0.00 0.00 54.97 56.25 3d01 s GLU 162 Cb -0.11 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3d01 s GLU 162 CO 0.02 -0.03 -0.21 0.96 -0.54 0.00 0.00 175.26 175.46 3d01 s ILE 163 N 1.11 1.77 -2.12 -3.70 -4.36 -0.35 -0.29 121.20 113.27 3d01 s ILE 163 Ca 0.37 -1.63 0.31 0.00 -0.26 0.00 0.00 60.65 59.44 3d01 s ILE 163 Cb -0.17 -1.64 0.82 0.00 1.25 0.00 0.00 42.46 42.72 3d01 s ILE 163 CO 0.17 -0.10 2.11 -0.90 0.24 0.00 0.00 174.94 176.46