#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d01 h ASN 4 N 0.00 0.76 0.19 4.31 -1.24 -2.05 -1.73 115.58 115.81 3d01 h ASN 4 Ca 0.00 -0.09 -0.20 0.00 0.71 0.00 0.00 56.30 56.72 3d01 h ASN 4 Cb 0.00 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.86 3d01 h ASN 4 CO 0.00 0.67 -0.78 0.25 -1.29 0.00 0.00 177.43 176.28 3d01 h LEU 5 N 0.83 0.59 -0.18 0.34 5.85 -2.05 -2.10 115.31 118.60 3d01 h LEU 5 Ca 0.20 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3d01 h LEU 5 Cb 0.13 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3d01 h LEU 5 CO -0.02 1.17 0.11 0.22 -0.34 0.00 0.00 178.44 179.57 3d01 h TYR 6 N 0.32 0.21 -0.47 1.25 3.20 -1.91 0.22 116.97 119.79 3d01 h TYR 6 Ca -0.05 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 3d01 h TYR 6 Cb 1.38 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 3d01 h TYR 6 CO 0.06 0.13 0.04 0.74 -1.64 0.00 0.00 178.16 177.48 3d01 h PHE 7 N 0.23 0.87 -0.70 -3.82 0.04 -1.35 -2.49 116.94 109.72 3d01 h PHE 7 Ca 0.07 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.78 3d01 h PHE 7 Cb -0.01 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 37.84 3d01 h PHE 7 CO -0.07 0.82 0.36 0.37 -0.60 0.00 0.00 178.31 179.19 3d01 h GLN 8 N 0.66 0.62 -0.34 1.51 4.15 -1.26 0.14 115.11 120.60 3d01 h GLN 8 Ca 0.14 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3d01 h GLN 8 Cb 0.45 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3d01 h GLN 8 CO 0.02 0.41 0.00 0.41 -1.93 0.00 0.00 178.83 177.74 3d01 n GLY 9 N -1.30 0.00 0.90 2.39 0.00 0.77 -0.78 105.19 107.18 3d01 n GLY 9 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.57 0.00 -0.29 1.61 7.64 0.04 -1.62 113.62 121.57 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 0.00 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.72 -0.38 6.43 3.32 -1.20 -1.49 116.42 123.82 3d01 h ASP 12 Ca 0.00 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3d01 h ASP 12 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3d01 h ASP 12 CO 0.00 0.44 0.03 0.58 -1.72 0.00 0.00 179.24 178.58 3d01 h VAL 13 N 0.85 1.25 0.50 -1.35 2.07 -1.58 0.75 116.25 118.74 3d01 h VAL 13 Ca 0.37 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3d01 h VAL 13 Cb 0.26 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3d01 h VAL 13 CO -0.21 0.31 -0.25 0.40 0.02 0.00 0.00 177.57 177.84 3d01 h ILE 14 N 0.48 0.49 -0.15 4.57 2.04 -1.72 0.12 117.51 123.35 3d01 h ILE 14 Ca 0.11 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 3d01 h ILE 14 Cb 0.41 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3d01 h ILE 14 CO 0.01 0.00 -0.06 -0.33 0.00 0.00 0.00 178.15 177.77 3d01 h GLU 15 N -0.68 0.22 -0.44 2.37 5.08 -1.25 -1.85 114.58 118.02 3d01 h GLU 15 Ca -0.07 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 3d01 h GLU 15 Cb 0.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3d01 h GLU 15 CO 0.10 0.30 -0.21 0.78 -1.00 0.00 0.00 179.01 178.98 3d01 h GLY 16 N 0.59 1.00 1.57 -3.84 0.00 -0.53 -1.66 103.07 100.20 3d01 h GLY 16 Ca 0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 47.33 46.44 3d01 h GLY 16 CO 0.01 0.82 0.06 3.21 0.00 0.00 0.00 176.54 180.64 3d01 h ARG 17 N 0.76 0.55 -0.34 4.80 3.08 -0.03 -1.27 114.38 121.94 3d01 h ARG 17 Ca 0.10 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3d01 h ARG 17 Cb 0.78 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3d01 h ARG 17 CO 0.06 0.53 -0.14 1.25 -1.07 0.00 0.00 179.97 180.60 3d01 h LEU 18 N 0.54 0.70 -0.97 3.04 5.85 -1.14 -2.22 115.31 121.12 3d01 h LEU 18 Ca 0.12 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.50 3d01 h LEU 18 Cb 0.25 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3d01 h LEU 18 CO 0.00 0.94 0.62 0.11 -0.34 0.00 0.00 178.44 179.78 3d01 h LYS 19 N 0.46 1.14 0.00 1.25 1.57 -0.96 -0.90 116.57 119.13 3d01 h LYS 19 Ca 0.08 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3d01 h LYS 19 Cb 0.67 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3d01 h LYS 19 CO 0.05 0.75 -0.05 0.93 -0.57 0.00 0.00 179.45 180.56 3d01 h GLU 20 N 1.17 0.00 0.00 3.15 5.08 -0.91 -0.46 114.58 122.61 3d01 h GLU 20 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3d01 h GLU 20 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3d01 h GLU 20 CO -0.15 0.05 -0.03 1.28 -1.00 0.00 0.00 179.01 179.16 3d01 n LEU 21 N -4.19 0.36 0.00 1.33 4.77 -0.39 -4.92 117.00 113.95 3d01 n LEU 21 Ca -0.03 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3d01 n LEU 21 Cb 0.13 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3d01 n LEU 21 CO 0.32 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3d01 n GLY 22 N 1.42 1.13 3.35 -0.72 0.00 -0.18 -5.10 105.19 105.09 3d01 n GLY 22 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 2.49 -0.09 1.61 0.08 -0.92 -4.99 117.98 114.17 3d01 s PHE 23 Ca 0.00 -0.44 -0.06 0.00 0.12 0.00 0.00 56.93 56.55 3d01 s PHE 23 Cb 0.00 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 3d01 s PHE 23 CO 0.00 -0.03 0.15 0.99 -0.10 0.00 0.00 175.22 176.24 3d01 s THR 24 N -0.48 5.48 0.18 0.64 2.01 -1.26 -2.53 115.64 119.68 3d01 s THR 24 Ca 0.06 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 3d01 s THR 24 Cb -0.11 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 3d01 s THR 24 CO 0.01 0.54 1.49 -0.76 -0.69 0.00 0.00 174.62 175.21 3d01 s LEU 25 N -1.29 4.38 0.87 4.42 1.43 -1.26 -5.02 118.68 122.20 3d01 s LEU 25 Ca 0.19 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.72 3d01 s LEU 25 Cb -0.12 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 42.61 3d01 s LEU 25 CO 0.08 -0.75 1.14 -2.16 0.23 0.00 0.00 176.35 174.90 3d01 s PRO 26 N 0.73 1.44 0.00 1.29 0.04 -1.26 -5.09 135.00 132.15 3d01 s PRO 26 Ca 0.66 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.97 3d01 s PRO 26 Cb -0.42 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3d01 s PRO 26 CO 0.34 -1.98 0.00 1.55 0.04 0.00 0.00 177.00 176.95 3d01 n VAL 27 N -3.62 0.00 0.00 -0.36 3.14 -1.26 -4.82 118.33 111.41 3d01 n VAL 27 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3d01 n VAL 27 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 3d01 n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3d01 n ALA 33 N -3.00 0.00 0.76 1.55 0.00 -1.26 -4.96 120.51 113.60 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 0.49 0.00 0.00 0.00 0.00 19.45 19.94 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 0.18 -4.51 0.00 5.03 -1.26 -4.63 115.26 110.08 3d01 n ASN 34 Ca 0.00 0.52 -0.29 0.00 0.87 0.00 0.00 54.58 55.69 3d01 n ASN 34 Cb 0.00 -0.57 -0.11 0.00 -1.02 0.00 0.00 39.78 38.08 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 -3.04 2.55 0.21 3.10 -0.85 -1.26 -5.15 117.35 112.92 3d01 s TYR 35 Ca 0.11 -0.25 0.11 0.00 -0.52 0.00 0.00 57.07 56.51 3d01 s TYR 35 Cb 0.15 -1.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.11 3d01 s TYR 35 CO 0.46 0.42 -0.17 0.14 -1.52 0.00 0.00 175.55 174.87 3d01 s VAL 36 N -1.28 2.70 0.42 -3.49 -7.23 -1.26 -5.04 120.40 105.23 3d01 s VAL 36 Ca 0.20 -1.99 0.36 0.00 -1.81 0.00 0.00 61.98 58.74 3d01 s VAL 36 Cb -0.10 -2.34 0.39 0.00 0.56 0.00 0.00 36.38 34.88 3d01 s VAL 36 CO 0.11 -0.19 2.17 1.55 -0.31 0.00 0.00 175.10 178.44 3d01 h PRO 37 N 2.84 0.00 -2.69 4.82 0.13 -1.98 -3.42 132.00 131.70 3d01 h PRO 37 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3d01 h PRO 37 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 3d01 h PRO 37 CO 0.53 0.03 0.29 -0.59 -0.23 0.00 0.00 178.00 178.03 3d01 s PHE 38 N -4.02 -0.50 0.10 1.56 -0.12 -1.26 -0.24 117.98 113.51 3d01 s PHE 38 Ca -0.02 0.38 0.03 0.00 -0.05 0.00 0.00 56.93 57.27 3d01 s PHE 38 Cb 0.12 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 43.01 3d01 s PHE 38 CO 0.50 -0.74 -0.09 0.95 -0.05 0.00 0.00 175.22 175.79 3d01 s THR 39 N -3.28 0.89 -0.07 -4.49 -4.23 -0.41 -5.00 115.64 99.05 3d01 s THR 39 Ca 0.01 -1.76 0.05 0.00 -1.18 0.00 0.00 61.69 58.80 3d01 s THR 39 Cb -0.01 -1.49 -0.00 0.00 1.34 0.00 0.00 72.50 72.34 3d01 s THR 39 CO -0.09 -0.67 -0.22 -0.63 -0.54 0.00 0.00 174.62 172.46 3d01 s ILE 40 N -2.87 1.88 -0.16 2.99 1.01 -1.26 -0.84 121.20 121.96 3d01 s ILE 40 Ca 0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 3d01 s ILE 40 Cb -0.00 -1.62 0.04 0.00 0.01 0.00 0.00 42.46 40.90 3d01 s ILE 40 CO -0.01 0.52 -0.02 -0.55 0.00 0.00 0.00 174.94 174.88 3d01 s SER 41 N 0.15 2.63 1.98 3.58 0.15 -0.07 -5.01 113.70 117.11 3d01 s SER 41 Ca -0.11 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 55.94 3d01 s SER 41 Cb -0.15 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 3d01 s SER 41 CO 0.06 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3d01 n GLY 42 N 4.97 4.09 1.38 9.45 0.00 -1.26 -1.41 105.19 122.40 3d01 n GLY 42 Ca -0.10 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 7.59 4.78 -4.53 1.61 6.94 -1.26 -4.92 115.26 125.46 3d01 n ASN 43 Ca 0.00 -2.99 -0.34 0.00 -0.02 0.00 0.00 54.58 51.23 3d01 n ASN 43 Cb 0.00 -0.62 -0.12 0.00 -2.36 0.00 0.00 39.78 36.69 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 -2.81 3.36 -0.23 -4.53 1.43 -0.50 -0.57 118.68 114.83 3d01 s LEU 44 Ca 0.48 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 3d01 s LEU 44 Cb 0.38 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 3d01 s LEU 44 CO 0.12 0.19 0.01 -0.22 0.23 0.00 0.00 176.35 176.68 3d01 s LEU 45 N 0.27 3.17 -0.33 1.79 2.96 0.73 -0.90 118.68 126.36 3d01 s LEU 45 Ca -0.02 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 3d01 s LEU 45 Cb -0.14 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3d01 s LEU 45 CO 0.02 -0.02 0.22 -0.31 -1.32 0.00 0.00 176.35 174.95 3d01 s TYR 46 N 1.49 3.22 -0.16 5.38 2.02 -0.02 -0.29 117.35 128.99 3d01 s TYR 46 Ca 0.06 -0.33 -0.07 0.00 -0.37 0.00 0.00 57.07 56.36 3d01 s TYR 46 Cb -0.15 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 3d01 s TYR 46 CO 0.00 -0.40 0.08 0.08 -1.57 0.00 0.00 175.55 173.75 3d01 s VAL 47 N 1.69 4.98 0.81 0.71 1.01 -0.09 -1.29 120.40 128.22 3d01 s VAL 47 Ca 0.06 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 3d01 s VAL 47 Cb -0.17 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.08 3d01 s VAL 47 CO 0.09 0.51 1.18 -0.44 0.00 0.00 0.00 175.10 176.44 3d01 s SER 48 N -0.11 3.67 0.08 3.32 0.01 0.67 -2.89 113.70 118.44 3d01 s SER 48 Ca 0.08 2.27 -0.34 0.00 1.31 0.00 0.00 55.95 59.26 3d01 s SER 48 Cb -0.12 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.40 3d01 s SER 48 CO 0.01 -2.61 1.66 0.61 0.41 0.00 0.00 173.24 173.31 3d01 n GLY 49 N 0.24 1.18 3.67 3.44 0.00 -1.26 -4.58 105.19 107.89 3d01 n GLY 49 Ca 0.13 0.72 -0.33 0.00 0.00 0.00 0.00 46.02 46.53 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 1.85 2.84 0.38 1.61 -1.52 0.47 -4.87 119.66 120.42 3d01 s GLN 50 Ca 0.83 -0.54 0.07 0.00 -1.95 0.00 0.00 55.36 53.78 3d01 s GLN 50 Cb -0.70 -2.70 -0.01 0.00 -0.22 0.00 0.00 33.01 29.38 3d01 s GLN 50 CO 0.43 0.65 0.43 -0.51 -0.25 0.00 0.00 175.29 176.04 3d01 s LEU 51 N -1.26 3.65 0.13 2.90 1.43 -1.26 -1.48 118.68 122.79 3d01 s LEU 51 Ca 0.17 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.52 3d01 s LEU 51 Cb -0.11 -2.42 -0.07 0.00 0.03 0.00 0.00 46.19 43.62 3d01 s LEU 51 CO 0.07 -0.55 0.89 -2.16 0.23 0.00 0.00 176.35 174.83 3d01 s PRO 52 N -4.16 4.66 0.00 1.29 0.04 -1.26 -4.09 135.00 131.49 3d01 s PRO 52 Ca 0.47 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3d01 s PRO 52 Cb -0.07 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3d01 s PRO 52 CO 0.30 0.33 0.00 -1.91 0.04 0.00 0.00 177.00 175.76 3d01 n GLU 54 N 2.41 0.00 -3.55 4.56 2.13 -0.13 -0.39 120.64 125.67 3d01 n GLU 54 Ca -0.01 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.55 3d01 n GLU 54 Cb 0.49 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.23 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 -5.23 0.00 4.31 7.64 -1.26 -1.95 113.62 117.13 3d01 n SER 55 Ca 0.00 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.33 3d01 n SER 55 Cb 0.00 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 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 -1.62 0.47 3.27 0.23 0.00 -1.26 -5.01 105.19 101.28 3d01 n GLY 56 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.43 1.12 -0.30 1.61 1.02 -0.82 -5.10 119.74 116.83 3d01 s LYS 57 Ca 0.00 -1.35 -0.29 0.00 0.02 0.00 0.00 55.97 54.36 3d01 s LYS 57 Cb 0.00 -0.97 -0.01 0.00 -0.52 0.00 0.00 37.83 36.33 3d01 s LYS 57 CO 0.00 0.18 1.59 0.42 -0.92 0.00 0.00 175.35 176.61 3d01 s ILE 58 N -2.40 3.73 -0.20 2.17 -1.09 -1.26 -0.95 121.20 121.19 3d01 s ILE 58 Ca 0.13 0.78 0.18 0.00 -2.23 0.00 0.00 60.65 59.51 3d01 s ILE 58 Cb -0.03 -3.85 0.14 0.00 -1.58 0.00 0.00 42.46 37.13 3d01 s ILE 58 CO 0.04 -0.45 1.51 0.00 -1.23 0.00 0.00 174.94 174.81 3d01 h ALA 59 N 11.15 0.78 -3.22 9.38 0.00 -1.02 -3.43 119.26 132.90 3d01 h ALA 59 Ca -0.31 -0.33 -0.43 0.00 0.00 0.00 0.00 54.91 53.83 3d01 h ALA 59 Cb 1.14 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.48 3d01 h ALA 59 CO 1.03 0.46 -0.75 0.08 0.00 0.00 0.00 179.25 180.07 3d01 s VAL 60 N -3.07 0.11 0.19 0.00 1.01 -1.26 -5.07 120.40 112.31 3d01 s VAL 60 Ca 0.04 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.17 3d01 s VAL 60 Cb 0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 3d01 s VAL 60 CO 0.72 0.03 -0.17 0.42 0.00 0.00 0.00 175.10 176.10 3d01 s THR 61 N 2.07 1.86 0.00 3.92 -4.23 -1.26 -1.80 115.64 116.19 3d01 s THR 61 Ca 0.03 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3d01 s THR 61 Cb -0.14 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3d01 s THR 61 CO -0.06 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 3d01 n GLY 62 N -0.09 0.47 3.72 3.99 0.00 -0.11 -4.67 105.19 108.50 3d01 n GLY 62 Ca -0.10 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.14 4.33 0.15 0.99 1.43 -1.26 -4.12 118.68 120.07 3d01 s LEU 63 Ca 0.00 1.30 -0.31 0.00 -1.03 0.00 0.00 54.13 54.10 3d01 s LEU 63 Cb 0.00 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.93 3d01 s LEU 63 CO 0.00 -0.14 1.43 -0.69 0.23 0.00 0.00 176.35 177.17 3d01 s VAL 64 N 0.82 3.05 0.00 -1.59 1.01 0.38 -0.52 120.40 123.54 3d01 s VAL 64 Ca 0.41 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.17 3d01 s VAL 64 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3d01 s VAL 64 CO 0.21 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3d01 n GLY 65 N 3.24 0.75 1.78 4.51 0.00 -0.10 -2.28 105.19 113.10 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 -0.03 1.61 0.63 -0.74 -4.92 116.66 111.15 3d01 n ARG 66 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 3d01 n ARG 66 Cb 0.00 -0.10 -0.13 0.00 0.45 0.00 0.00 32.46 32.67 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 -3.42 0.61 -4.05 6.15 8.00 0.32 -4.96 116.55 119.20 3d01 n ASP 67 Ca 0.00 0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.67 3d01 n ASP 67 Cb 0.00 0.34 -0.11 0.00 -0.02 0.00 0.00 41.12 41.33 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 0.43 0.62 2.53 -7.23 -0.99 -4.91 120.40 108.18 3d01 s VAL 68 Ca -0.06 -1.15 0.06 0.00 -1.81 0.00 0.00 61.98 59.02 3d01 s VAL 68 Cb 0.08 -0.67 0.10 0.00 0.56 0.00 0.00 36.38 36.45 3d01 s VAL 68 CO 0.83 -0.49 0.86 1.51 -0.31 0.00 0.00 175.10 177.50 3d01 s ASP 69 N -1.76 4.84 0.16 4.85 1.47 -1.26 -0.93 116.67 124.05 3d01 s ASP 69 Ca -0.09 -0.68 -0.14 0.00 1.18 0.00 0.00 52.55 52.82 3d01 s ASP 69 Cb -0.08 0.19 0.05 0.00 -0.34 0.00 0.00 42.92 42.74 3d01 s ASP 69 CO -0.01 -1.52 1.78 0.58 0.68 0.00 0.00 175.17 176.68 3d01 h VAL 70 N -0.06 1.17 -0.40 2.11 2.07 -1.98 -1.49 116.25 117.65 3d01 h VAL 70 Ca -0.32 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 66.81 3d01 h VAL 70 Cb 1.28 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3d01 h VAL 70 CO 0.40 0.17 0.22 0.00 0.02 0.00 0.00 177.57 178.39 3d01 h ALA 71 N 1.13 0.51 -0.67 1.67 0.00 -1.98 0.24 119.26 120.15 3d01 h ALA 71 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3d01 h ALA 71 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3d01 h ALA 71 CO -0.03 -0.12 0.13 0.77 0.00 0.00 0.00 179.25 180.00 3d01 h SER 72 N 0.45 1.03 -0.06 0.00 0.02 -1.91 -2.50 113.55 110.58 3d01 h SER 72 Ca 0.16 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 3d01 h SER 72 Cb 0.03 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3d01 h SER 72 CO -0.09 1.01 -0.26 0.00 -1.14 0.00 0.00 176.83 176.35 3d01 h ALA 73 N 1.11 1.08 -0.85 3.77 0.00 -0.70 -1.15 119.26 122.53 3d01 h ALA 73 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3d01 h ALA 73 Cb 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3d01 h ALA 73 CO 0.01 0.56 0.50 1.96 0.00 0.00 0.00 179.25 182.28 3d01 h GLN 74 N 0.43 1.16 -0.74 0.00 4.20 -0.33 0.22 115.11 120.06 3d01 h GLN 74 Ca 0.06 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3d01 h GLN 74 Cb 0.68 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3d01 h GLN 74 CO 0.05 0.82 0.25 -0.09 -0.67 0.00 0.00 178.83 179.19 3d01 h ARG 75 N 1.18 1.14 -0.68 1.46 9.65 -1.05 0.87 114.38 126.95 3d01 h ARG 75 Ca 0.30 -0.24 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 3d01 h ARG 75 Cb -0.03 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.33 3d01 h ARG 75 CO -0.06 0.96 0.40 0.00 2.80 0.00 0.00 179.97 184.08 3d01 h ALA 76 N 1.12 0.89 -0.60 2.80 0.00 -0.57 -0.85 119.26 122.06 3d01 h ALA 76 Ca 0.24 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3d01 h ALA 76 Cb 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3d01 h ALA 76 CO -0.01 0.13 0.18 0.00 0.00 0.00 0.00 179.25 179.54 3d01 h ALA 77 N 1.32 0.79 -0.43 0.00 0.00 -0.44 0.42 119.26 120.91 3d01 h ALA 77 Ca 0.29 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3d01 h ALA 77 Cb 0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3d01 h ALA 77 CO -0.14 0.47 0.16 0.93 0.00 0.00 0.00 179.25 180.66 3d01 h GLU 78 N 0.86 0.32 -0.50 0.00 5.08 -0.42 -1.05 114.58 118.87 3d01 h GLU 78 Ca 0.19 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3d01 h GLU 78 Cb 0.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3d01 h GLU 78 CO -0.00 0.21 0.17 -0.07 -1.00 0.00 0.00 179.01 178.31 3d01 h LEU 79 N 0.33 0.72 -0.74 1.33 3.38 -0.57 -0.48 115.31 119.27 3d01 h LEU 79 Ca 0.20 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3d01 h LEU 79 Cb 0.18 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3d01 h LEU 79 CO -0.20 0.73 0.36 0.00 0.09 0.00 0.00 178.44 179.42 3d01 h ALA 81 N 1.48 0.98 -0.51 0.00 0.00 -0.42 -0.60 119.26 120.18 3d01 h ALA 81 Ca 0.38 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3d01 h ALA 81 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3d01 h ALA 81 CO -0.31 0.60 0.01 0.28 0.00 0.00 0.00 179.25 179.83 3d01 h VAL 82 N 0.56 1.25 -0.16 0.00 2.07 -0.63 -0.79 116.25 118.56 3d01 h VAL 82 Ca 0.08 -1.02 -0.15 0.00 0.82 0.00 0.00 66.70 66.43 3d01 h VAL 82 Cb 0.70 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3d01 h VAL 82 CO 0.05 0.36 -0.54 0.78 0.02 0.00 0.00 177.57 178.25 3d01 h ASN 83 N 0.80 0.51 -0.13 0.57 4.21 -0.75 -0.79 115.58 119.99 3d01 h ASN 83 Ca 0.15 -0.27 -0.00 0.00 1.21 0.00 0.00 56.30 57.39 3d01 h ASN 83 Cb 0.46 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 3d01 h ASN 83 CO 0.02 0.95 0.08 0.40 -1.29 0.00 0.00 177.43 177.59 3d01 h ILE 84 N 0.36 1.06 -0.60 2.81 2.04 -0.76 -1.96 117.51 120.45 3d01 h ILE 84 Ca 0.01 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3d01 h ILE 84 Cb 1.06 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3d01 h ILE 84 CO 0.10 0.06 0.33 -0.07 0.00 0.00 0.00 178.15 178.56 3d01 h LEU 85 N 0.14 0.74 -0.70 1.44 3.38 -0.88 -0.40 115.31 119.03 3d01 h LEU 85 Ca 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3d01 h LEU 85 Cb 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3d01 h LEU 85 CO -0.01 0.60 0.37 0.00 0.09 0.00 0.00 178.44 179.49 3d01 h ALA 86 N 1.52 0.90 -0.42 1.53 0.00 -0.86 0.49 119.26 122.41 3d01 h ALA 86 Ca 0.21 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3d01 h ALA 86 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3d01 h ALA 86 CO -0.03 0.44 -0.12 1.96 0.00 0.00 0.00 179.25 181.49 3d01 h GLN 87 N 0.97 0.83 -0.67 0.00 1.08 -0.60 -1.87 115.11 114.84 3d01 h GLN 87 Ca 0.25 -0.32 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3d01 h GLN 87 Cb 0.07 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3d01 h GLN 87 CO -0.04 0.95 0.38 0.28 -0.95 0.00 0.00 178.83 179.45 3d01 h VAL 88 N 0.65 1.21 -0.32 -0.54 2.07 -0.85 0.71 116.25 119.18 3d01 h VAL 88 Ca 0.11 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3d01 h VAL 88 Cb 0.66 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3d01 h VAL 88 CO 0.04 0.22 0.19 0.50 0.02 0.00 0.00 177.57 178.55 3d01 h LYS 89 N 0.92 0.43 -0.29 1.57 3.64 -0.76 -0.67 116.57 121.42 3d01 h LYS 89 Ca 0.24 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3d01 h LYS 89 Cb 0.02 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3d01 h LYS 89 CO -0.04 0.33 0.05 0.00 -2.27 0.00 0.00 179.45 177.53 3d01 h ALA 90 N 1.08 0.30 -0.94 5.00 0.00 -0.92 0.44 119.26 124.22 3d01 h ALA 90 Ca 0.11 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.26 3d01 h ALA 90 Cb 0.01 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 3d01 h ALA 90 CO -0.02 -0.36 0.60 0.00 0.00 0.00 0.00 179.25 179.47 3d01 h ALA 91 N 1.21 1.91 -0.54 0.00 0.00 -0.41 -2.48 119.26 118.95 3d01 h ALA 91 Ca 0.13 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3d01 h ALA 91 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3d01 h ALA 91 CO -0.18 -0.21 0.05 1.28 0.00 0.00 0.00 179.25 180.19 3d01 n LEU 92 N -4.61 5.39 -3.83 0.00 4.77 -0.30 -4.94 117.00 113.49 3d01 n LEU 92 Ca 0.20 -3.04 -0.30 0.00 -0.03 0.00 0.00 56.01 52.85 3d01 n LEU 92 Cb 0.59 -0.67 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3d01 n LEU 92 CO 0.27 0.69 0.08 0.59 -1.33 0.00 0.00 177.39 177.69 3d01 n ASN 93 N 0.17 -4.69 0.00 -1.43 5.03 -0.91 -2.46 115.26 110.97 3d01 n ASN 93 Ca 0.29 -0.72 0.00 0.00 0.87 0.00 0.00 54.58 55.02 3d01 n ASN 93 Cb 1.17 -3.76 0.00 0.00 -1.02 0.00 0.00 39.78 36.17 3d01 n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d01 n GLY 94 N -1.60 0.43 3.03 7.41 0.00 0.07 -5.03 105.19 109.49 3d01 n GLY 94 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3d01 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d01 s ASP 95 N -2.44 4.77 0.00 1.61 1.01 -1.03 -4.93 116.67 115.67 3d01 s ASP 95 Ca 0.00 -2.50 0.06 0.00 0.71 0.00 0.00 52.55 50.83 3d01 s ASP 95 Cb 0.00 -1.70 0.28 0.00 1.01 0.00 0.00 42.92 42.51 3d01 s ASP 95 CO 0.00 -0.36 1.21 0.18 0.21 0.00 0.00 175.17 176.41 3d01 n LEU 96 N 3.85 0.00 0.08 1.23 4.77 -1.26 -2.11 117.00 123.56 3d01 n LEU 96 Ca 0.04 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 3d01 n LEU 96 Cb 0.38 -0.50 0.46 0.00 -2.33 0.00 0.00 43.42 41.43 3d01 n LEU 96 CO 0.29 -0.39 0.89 -1.54 -1.33 0.00 0.00 177.39 175.31 3d01 n SER 97 N -1.50 0.55 -0.30 -1.43 3.41 -1.26 -2.80 113.62 110.29 3d01 n SER 97 Ca 0.02 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 3d01 n SER 97 Cb 0.08 -0.71 0.52 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.03 1.39 -2.19 4.33 5.02 -0.90 -4.75 118.16 119.03 3d01 n LYS 98 Ca 0.05 -0.59 -0.42 0.00 -2.02 0.00 0.00 58.31 55.33 3d01 n LYS 98 Cb 0.36 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.91 3.74 -0.10 -0.18 1.01 -1.12 -4.43 121.20 118.21 3d01 s ILE 99 Ca 0.33 1.05 -0.08 0.00 0.00 0.00 0.00 60.65 61.95 3d01 s ILE 99 Cb 0.17 -3.67 -0.28 0.00 0.01 0.00 0.00 42.46 38.69 3d01 s ILE 99 CO 0.27 -0.04 0.47 0.03 0.00 0.00 0.00 174.94 175.67 3d01 h ARG 100 N 8.31 0.31 -1.61 2.79 3.08 -0.74 -3.49 114.38 123.03 3d01 h ARG 100 Ca -0.37 -0.53 0.08 0.00 0.07 0.00 0.00 59.98 59.24 3d01 h ARG 100 Cb 1.17 0.20 -0.26 0.00 0.08 0.00 0.00 29.97 31.15 3d01 h ARG 100 CO 0.93 1.25 0.36 0.50 -1.07 0.00 0.00 179.97 181.94 3d01 s ARG 101 N -2.56 0.46 -0.40 0.04 6.06 -0.95 -4.70 118.95 116.90 3d01 s ARG 101 Ca -0.20 0.71 -0.29 0.00 -2.50 0.00 0.00 55.73 53.44 3d01 s ARG 101 Cb 0.06 0.14 0.01 0.00 0.06 0.00 0.00 34.95 35.22 3d01 s ARG 101 CO 0.80 -0.08 1.28 0.08 -2.50 0.00 0.00 175.30 174.88 3d01 s VAL 102 N 1.02 4.09 -0.03 7.11 1.01 -0.29 0.00 120.40 133.32 3d01 s VAL 102 Ca -0.05 1.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.90 3d01 s VAL 102 Cb -0.04 -4.33 -0.33 0.00 0.00 0.00 0.00 36.38 31.69 3d01 s VAL 102 CO -0.13 -0.74 0.90 0.40 0.00 0.00 0.00 175.10 175.53 3d01 h ILE 103 N 6.22 1.39 -2.36 2.22 1.08 -1.34 -3.34 117.51 121.37 3d01 h ILE 103 Ca -0.25 -2.58 -0.07 0.00 -0.39 0.00 0.00 64.86 61.57 3d01 h ILE 103 Cb 1.09 3.11 -0.23 0.00 -3.07 0.00 0.00 36.82 37.71 3d01 h ILE 103 CO 1.08 0.75 -0.11 -0.75 -0.69 0.00 0.00 178.15 178.43 3d01 s LYS 104 N -2.49 0.59 -0.08 2.37 2.47 -1.01 -1.45 119.74 120.13 3d01 s LYS 104 Ca -0.13 0.90 0.03 0.00 -1.56 0.00 0.00 55.97 55.22 3d01 s LYS 104 Cb 0.02 0.16 -0.02 0.00 -1.46 0.00 0.00 37.83 36.54 3d01 s LYS 104 CO 0.87 -0.12 -0.16 -0.51 0.16 0.00 0.00 175.35 175.58 3d01 s LEU 105 N 1.01 2.57 -0.30 5.43 1.43 -0.50 -1.16 118.68 127.15 3d01 s LEU 105 Ca -0.06 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3d01 s LEU 105 Cb -0.06 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.65 3d01 s LEU 105 CO -0.09 0.26 0.09 0.20 0.23 0.00 0.00 176.35 177.04 3d01 s ASN 106 N -0.25 5.16 -0.31 2.29 -0.87 -0.88 -1.80 114.94 118.29 3d01 s ASN 106 Ca 0.01 -0.78 -0.09 0.00 -1.57 0.00 0.00 52.86 50.43 3d01 s ASN 106 Cb -0.13 -1.88 -0.01 0.00 -0.02 0.00 0.00 41.25 39.21 3d01 s ASN 106 CO 0.03 -0.21 0.15 -0.83 -2.57 0.00 0.00 177.10 173.66 3d01 s GLY 107 N 1.49 1.86 -0.29 0.66 0.00 0.76 -2.16 107.32 109.63 3d01 s GLY 107 Ca 0.02 -1.36 -0.09 0.00 0.00 0.00 0.00 44.72 43.29 3d01 s GLY 107 CO 0.03 0.68 0.12 -1.36 0.00 0.00 0.00 173.10 172.56 3d01 s PHE 108 N 1.62 3.14 -0.21 1.90 0.08 0.42 -1.49 117.98 123.44 3d01 s PHE 108 Ca 0.05 -0.53 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 3d01 s PHE 108 Cb -0.17 -2.30 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 3d01 s PHE 108 CO 0.06 -0.42 -0.12 0.08 -0.10 0.00 0.00 175.22 174.73 3d01 s VAL 109 N 1.61 2.66 -0.04 -0.44 1.01 -0.02 -1.18 120.40 124.00 3d01 s VAL 109 Ca 0.05 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3d01 s VAL 109 Cb -0.16 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 3d01 s VAL 109 CO 0.05 0.41 1.73 0.00 0.00 0.00 0.00 175.10 177.29 3d01 s ALA 110 N 1.35 3.58 0.02 5.51 0.00 0.27 -4.29 121.76 128.20 3d01 s ALA 110 Ca 0.04 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.03 3d01 s ALA 110 Cb -0.14 -3.78 -0.01 0.00 0.00 0.00 0.00 23.12 19.19 3d01 s ALA 110 CO -0.08 -1.48 -0.07 -1.12 0.00 0.00 0.00 175.76 173.01 3d01 s SER 111 N 3.70 0.84 0.54 0.00 0.01 -1.26 -0.47 113.70 117.06 3d01 s SER 111 Ca 0.77 -0.30 -0.16 0.00 1.31 0.00 0.00 55.95 57.57 3d01 s SER 111 Cb -0.35 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 65.78 3d01 s SER 111 CO 0.32 -0.03 1.01 0.68 0.41 0.00 0.00 173.24 175.63 3d01 s VAL 112 N -0.66 4.27 -0.18 3.43 -7.23 -0.96 -4.64 120.40 114.42 3d01 s VAL 112 Ca -0.02 1.08 0.25 0.00 -1.81 0.00 0.00 61.98 61.48 3d01 s VAL 112 Cb -0.06 -3.60 0.26 0.00 0.56 0.00 0.00 36.38 33.55 3d01 s VAL 112 CO 0.00 -0.62 1.77 -0.65 -0.31 0.00 0.00 175.10 175.29 3d01 h PRO 113 N 0.74 0.00 0.00 4.82 0.11 -1.99 -1.14 132.00 134.54 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 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3d01 h PRO 113 CO 0.60 0.00 -0.29 0.39 -0.21 0.00 0.00 178.00 178.49 3d01 n GLU 114 N -2.39 0.01 -2.90 1.05 4.71 -1.26 -4.80 120.64 115.05 3d01 n GLU 114 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 3d01 n GLU 114 Cb 0.12 -1.51 -0.04 0.00 -1.01 0.00 0.00 31.44 29.00 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 -3.00 3.39 -0.05 -0.32 5.36 -0.43 -4.92 117.98 118.00 3d01 s PHE 115 Ca 0.12 1.20 0.22 0.00 -0.96 0.00 0.00 56.93 57.51 3d01 s PHE 115 Cb 0.18 -3.01 0.42 0.00 -0.34 0.00 0.00 43.02 40.27 3d01 s PHE 115 CO 0.63 -0.28 1.18 1.33 -1.46 0.00 0.00 175.22 176.62 3d01 n VAL 116 N 4.88 0.54 -1.96 3.12 0.24 -1.26 -4.81 118.33 119.09 3d01 n VAL 116 Ca 0.04 -1.53 -0.22 0.00 -2.04 0.00 0.00 64.34 60.59 3d01 n VAL 116 Cb 0.48 0.69 0.04 0.00 -1.47 0.00 0.00 33.84 33.58 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 0.09 3.42 0.20 7.34 1.02 -1.26 -4.75 120.64 126.70 3d01 n GLU 117 Ca 0.09 -4.06 0.06 0.00 -0.02 0.00 0.00 57.16 53.23 3d01 n GLU 117 Cb 1.03 -2.23 0.54 0.00 -0.02 0.00 0.00 31.44 30.76 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 2.08 0.10 -0.79 3.49 7.50 -1.92 -1.47 115.11 124.09 3d01 h GLN 118 Ca 0.35 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.48 3d01 h GLN 118 Cb 1.47 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.95 3d01 h GLN 118 CO 0.73 0.15 0.48 1.12 -1.50 0.00 0.00 178.83 179.81 3d01 h HIS 119 N 0.10 1.04 -0.50 2.96 2.07 -1.86 -1.79 115.15 117.17 3d01 h HIS 119 Ca 0.02 -0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.43 3d01 h HIS 119 Cb 0.14 -0.34 -0.02 0.00 2.57 0.00 0.00 27.41 29.76 3d01 h HIS 119 CO 0.00 0.70 -0.14 -0.07 -3.07 0.00 0.00 177.93 175.35 3d01 h LEU 120 N 1.08 0.96 0.07 6.12 3.38 -1.67 -1.13 115.31 124.12 3d01 h LEU 120 Ca 0.28 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3d01 h LEU 120 Cb -0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3d01 h LEU 120 CO -0.05 1.09 -0.06 0.58 0.09 0.00 0.00 178.44 180.09 3d01 h VAL 121 N 0.84 0.86 0.00 1.22 2.07 -1.16 -2.87 116.25 117.21 3d01 h VAL 121 Ca 0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 3d01 h VAL 121 Cb 0.69 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3d01 h VAL 121 CO 0.05 0.00 -0.15 0.40 0.02 0.00 0.00 177.57 177.89 3d01 h ILE 122 N -0.15 0.40 -0.84 4.57 1.08 -1.23 -1.63 117.51 119.72 3d01 h ILE 122 Ca 0.00 -0.88 0.22 0.00 -0.39 0.00 0.00 64.86 63.81 3d01 h ILE 122 Cb 0.14 1.64 -0.05 0.00 -3.07 0.00 0.00 36.82 35.48 3d01 h ILE 122 CO -0.01 0.15 0.58 0.78 -0.69 0.00 0.00 178.15 178.95 3d01 h ASN 123 N 0.00 0.18 -0.45 1.72 2.35 -0.96 -0.03 115.58 118.39 3d01 h ASN 123 Ca -0.00 0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3d01 h ASN 123 Cb 0.63 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.91 3d01 h ASN 123 CO 0.02 0.07 -0.02 1.23 -1.65 0.00 0.00 177.43 177.08 3d01 h GLY 124 N 0.18 0.43 0.51 2.83 0.00 -1.36 0.13 103.07 105.79 3d01 h GLY 124 Ca 0.42 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.82 3d01 h GLY 124 CO -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 176.54 176.33 3d01 h ALA 125 N 1.40 -0.02 -0.73 3.60 0.00 -1.22 -2.89 119.26 119.41 3d01 h ALA 125 Ca 0.22 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3d01 h ALA 125 Cb 0.33 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3d01 h ALA 125 CO -0.39 -0.26 0.48 0.77 0.00 0.00 0.00 179.25 179.85 3d01 h SER 126 N -0.51 0.85 -0.37 0.00 0.02 -0.94 -0.86 113.55 111.74 3d01 h SER 126 Ca -0.00 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 3d01 h SER 126 Cb 0.49 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3d01 h SER 126 CO 0.00 0.62 -0.04 0.78 -1.14 0.00 0.00 176.83 177.06 3d01 h ASN 127 N 0.99 0.68 -0.08 3.07 2.35 -0.82 -0.95 115.58 120.82 3d01 h ASN 127 Ca 0.27 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3d01 h ASN 127 Cb -0.10 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 3d01 h ASN 127 CO -0.06 0.85 0.02 0.25 -1.65 0.00 0.00 177.43 176.84 3d01 h LEU 128 N 0.49 0.01 -0.43 1.61 6.46 -1.27 0.66 115.31 122.85 3d01 h LEU 128 Ca 0.10 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 3d01 h LEU 128 Cb 0.52 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 3d01 h LEU 128 CO 0.03 0.02 0.15 0.40 -0.62 0.00 0.00 178.44 178.42 3d01 h ILE 129 N 0.05 1.21 -0.32 4.05 1.08 -1.02 -1.50 117.51 121.06 3d01 h ILE 129 Ca 0.04 -0.67 -0.10 0.00 -0.39 0.00 0.00 64.86 63.74 3d01 h ILE 129 Cb 0.03 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 3d01 h ILE 129 CO -0.05 0.24 -0.22 0.00 -0.69 0.00 0.00 178.15 177.43 3d01 h ALA 130 N 1.00 1.02 -0.20 1.87 0.00 -1.09 -1.55 119.26 120.31 3d01 h ALA 130 Ca 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3d01 h ALA 130 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3d01 h ALA 130 CO -0.01 0.59 0.04 1.15 0.00 0.00 0.00 179.25 181.02 3d01 h THR 131 N 0.54 1.21 0.00 0.00 2.02 -0.50 0.03 112.91 116.21 3d01 h THR 131 Ca 0.08 -0.69 -0.16 0.00 0.77 0.00 0.00 66.41 66.40 3d01 h THR 131 Cb 0.68 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3d01 h THR 131 CO 0.05 0.22 -0.77 -0.37 0.37 0.00 0.00 175.52 175.01 3d01 h VAL 132 N 0.14 1.38 0.00 3.16 -1.51 -1.20 -3.33 116.25 114.89 3d01 h VAL 132 Ca 0.06 -2.82 0.00 0.00 -1.23 0.00 0.00 66.70 62.72 3d01 h VAL 132 Cb 0.29 2.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 3d01 h VAL 132 CO 0.00 0.76 -1.61 0.18 -1.23 0.00 0.00 177.57 175.67 3d01 n LEU 133 N -3.37 0.30 0.00 4.19 4.77 -0.59 -4.51 117.00 117.80 3d01 n LEU 133 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3d01 n LEU 133 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 3d01 n LEU 133 CO 0.44 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3d01 n GLY 134 N 1.38 0.27 0.24 -0.72 0.00 -0.00 -4.02 105.19 102.34 3d01 n GLY 134 Ca -0.01 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.13 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 0.22 -0.15 1.61 4.57 -1.96 0.24 114.58 119.11 3d01 h GLU 135 Ca 0.00 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3d01 h GLU 135 Cb 0.00 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3d01 h GLU 135 CO 0.00 0.14 0.23 -1.35 -1.18 0.00 0.00 179.01 176.85 3d01 h PRO 136 N 0.22 0.00 0.00 0.92 0.11 -1.84 -1.29 132.00 130.12 3d01 h PRO 136 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3d01 h PRO 136 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3d01 h PRO 136 CO -0.47 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.73 3d01 n GLY 137 N -1.33 -1.38 3.72 -0.55 0.00 0.07 -1.14 105.19 104.58 3d01 n GLY 137 Ca 0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3d01 n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d01 s ARG 138 N -3.11 4.48 0.03 1.61 0.52 -0.49 -4.27 118.95 117.71 3d01 s ARG 138 Ca 0.09 1.73 -0.00 0.00 -0.52 0.00 0.00 55.73 57.02 3d01 s ARG 138 Cb 0.12 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 3d01 s ARG 138 CO 0.45 -0.16 -0.03 -3.38 0.02 0.00 0.00 175.30 172.20 3d01 s HIS 139 N 0.76 0.35 0.86 -0.53 -3.43 -1.25 -4.54 115.29 107.50 3d01 s HIS 139 Ca 0.56 -0.67 -0.11 0.00 -0.80 0.00 0.00 55.06 54.04 3d01 s HIS 139 Cb -0.29 -0.25 0.11 0.00 -1.43 0.00 0.00 32.58 30.72 3d01 s HIS 139 CO 0.30 -0.23 1.09 0.00 -2.00 0.00 0.00 174.74 173.91 3d01 s ALA 140 N -2.09 1.75 -0.04 -1.38 0.00 -0.53 -4.91 121.76 114.56 3d01 s ALA 140 Ca -0.10 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.63 3d01 s ALA 140 Cb -0.05 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.91 3d01 s ALA 140 CO -0.03 -2.20 0.69 0.50 0.00 0.00 0.00 175.76 174.72 3d01 s ARG 141 N -4.90 1.06 0.02 0.00 3.52 -1.26 -1.41 118.95 115.97 3d01 s ARG 141 Ca 0.63 0.23 0.07 0.00 -0.13 0.00 0.00 55.73 56.53 3d01 s ARG 141 Cb -0.18 0.50 -0.02 0.00 -1.56 0.00 0.00 34.95 33.69 3d01 s ARG 141 CO 0.57 -0.33 -0.21 0.00 -0.81 0.00 0.00 175.30 174.51 3d01 s ALA 142 N -1.28 1.80 -0.11 6.12 0.00 -0.74 -4.97 121.76 122.57 3d01 s ALA 142 Ca -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3d01 s ALA 142 Cb -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.75 3d01 s ALA 142 CO 0.09 0.42 -0.03 0.00 0.00 0.00 0.00 175.76 176.24 3d01 s ALA 143 N -0.66 1.08 0.06 0.00 0.00 -1.26 -0.17 121.76 120.81 3d01 s ALA 143 Ca 0.08 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.60 3d01 s ALA 143 Cb -0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 3d01 s ALA 143 CO 0.01 -0.57 -0.05 0.14 0.00 0.00 0.00 175.76 175.28 3d01 s VAL 144 N 1.81 0.44 0.35 0.00 -7.23 -0.56 -4.79 120.40 110.43 3d01 s VAL 144 Ca 0.04 -1.49 0.07 0.00 -1.81 0.00 0.00 61.98 58.78 3d01 s VAL 144 Cb -0.13 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 3d01 s VAL 144 CO -0.07 -0.70 0.48 -0.83 -0.31 0.00 0.00 175.10 173.67 3d01 s GLY 145 N -2.34 1.68 -0.22 2.32 0.00 -1.26 -0.85 107.32 106.66 3d01 s GLY 145 Ca -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.20 3d01 s GLY 145 CO -0.04 -1.41 -0.20 0.00 0.00 0.00 0.00 173.10 171.45 3d01 n ALA 147 N -1.66 1.54 -3.71 3.20 0.00 -1.26 -4.87 120.51 113.74 3d01 n ALA 147 Ca 0.01 -0.91 0.01 0.00 0.00 0.00 0.00 53.44 52.55 3d01 n ALA 147 Cb 0.58 0.03 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -6.19 -0.05 0.05 0.00 1.04 -1.26 -4.62 113.70 102.66 3d01 s SER 148 Ca -0.29 -0.21 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 3d01 s SER 148 Cb 0.08 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 3d01 s SER 148 CO 0.48 -0.41 0.02 -0.76 0.98 0.00 0.00 173.24 173.56 3d01 s LEU 149 N -3.15 2.18 0.24 2.42 1.43 -1.26 -4.92 118.68 115.62 3d01 s LEU 149 Ca 0.17 -0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 52.21 3d01 s LEU 149 Cb 0.03 0.36 -0.15 0.00 0.03 0.00 0.00 46.19 46.46 3d01 s LEU 149 CO -0.02 -0.54 0.95 -2.65 0.23 0.00 0.00 176.35 174.32 3d01 n PRO 150 N 0.51 1.03 -1.41 1.29 -0.02 -1.26 -1.12 135.00 134.02 3d01 n PRO 150 Ca -0.17 0.36 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 3d01 n PRO 150 Cb 0.59 -1.69 -0.06 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.50 0.00 -1.80 6.00 3.72 -1.26 -1.94 117.46 122.68 3d01 n PHE 151 Ca 0.13 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.36 3d01 n PHE 151 Cb 0.28 -2.97 -0.05 0.00 -0.94 0.00 0.00 39.48 35.80 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 -1.21 -4.99 -4.62 4.37 5.15 -0.27 -4.94 115.26 108.75 3d01 n ASN 152 Ca -0.14 0.25 -0.44 0.00 -0.60 0.00 0.00 54.58 53.65 3d01 n ASN 152 Cb 0.62 -4.01 -0.01 0.00 -0.53 0.00 0.00 39.78 35.85 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 0.14 0.21 0.15 5.20 0.00 -0.82 -0.94 120.51 124.46 3d01 n ALA 153 Ca -0.18 0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.66 3d01 n ALA 153 Cb 0.59 -2.09 0.15 0.00 0.00 0.00 0.00 19.45 18.10 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 2.10 0.00 -4.35 0.00 0.02 -1.51 -3.39 113.55 106.43 3d01 h SER 154 Ca -0.42 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.38 3d01 h SER 154 Cb 1.32 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.63 3d01 h SER 154 CO 0.61 0.49 -0.46 -0.69 -1.14 0.00 0.00 176.83 175.64 3d01 s VAL 155 N -3.21 0.04 -0.02 2.27 1.01 -1.26 -0.57 120.40 118.66 3d01 s VAL 155 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3d01 s VAL 155 Cb 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.11 3d01 s VAL 155 CO 0.73 -0.16 -0.02 -0.70 0.00 0.00 0.00 175.10 174.94 3d01 s GLU 156 N -0.57 0.36 -0.04 2.72 2.12 -0.32 -4.09 118.70 118.87 3d01 s GLU 156 Ca -0.07 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.24 3d01 s GLU 156 Cb -0.04 -0.43 0.01 0.00 0.26 0.00 0.00 34.13 33.93 3d01 s GLU 156 CO 0.01 -0.03 -0.08 0.42 -0.54 0.00 0.00 175.26 175.04 3d01 s ILE 157 N 0.48 0.77 0.47 -3.70 1.01 -0.55 -0.44 121.20 119.25 3d01 s ILE 157 Ca -0.05 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.36 3d01 s ILE 157 Cb -0.08 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 3d01 s ILE 157 CO -0.01 0.26 0.26 1.51 0.00 0.00 0.00 174.94 176.96 3d01 s ASP 158 N 0.56 4.53 0.02 3.58 1.47 -0.92 -0.39 116.67 125.52 3d01 s ASP 158 Ca -0.09 -1.17 -0.20 0.00 1.18 0.00 0.00 52.55 52.27 3d01 s ASP 158 Cb -0.12 -0.05 0.04 0.00 -0.34 0.00 0.00 42.92 42.44 3d01 s ASP 158 CO 0.01 -0.79 0.45 0.00 0.68 0.00 0.00 175.17 175.52 3d01 s ALA 159 N -2.68 -1.12 -0.09 2.11 0.00 -1.14 -2.06 121.76 116.77 3d01 s ALA 159 Ca 0.35 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.82 3d01 s ALA 159 Cb 0.01 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.41 3d01 s ALA 159 CO 0.20 -0.42 -0.16 0.42 0.00 0.00 0.00 175.76 175.80 3d01 s ILE 160 N -2.13 1.50 -0.05 0.00 1.01 -0.31 -0.91 121.20 120.31 3d01 s ILE 160 Ca -0.07 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3d01 s ILE 160 Cb -0.01 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.12 3d01 s ILE 160 CO 0.00 0.44 -0.11 -0.69 0.00 0.00 0.00 174.94 174.59 3d01 s VAL 161 N 0.74 0.98 -0.07 2.92 1.01 0.61 -0.92 120.40 125.67 3d01 s VAL 161 Ca -0.12 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 3d01 s VAL 161 Cb -0.16 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3d01 s VAL 161 CO 0.02 0.31 0.79 -0.70 0.00 0.00 0.00 175.10 175.53 3d01 s GLU 162 N 0.56 4.44 0.00 2.72 2.12 0.10 -0.19 118.70 128.44 3d01 s GLU 162 Ca -0.11 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.26 3d01 s GLU 162 Cb -0.14 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.78 3d01 s GLU 162 CO 0.02 -0.04 0.36 0.44 -0.54 0.00 0.00 175.26 175.50