#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1b s PRO 16 N 0.00 2.26 -0.06 1.61 0.04 -1.26 -5.05 135.00 132.55 2x1b s PRO 16 Ca 0.00 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.40 2x1b s PRO 16 Cb 0.00 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.67 2x1b s PRO 16 CO 0.00 -1.67 0.18 0.45 0.04 0.00 0.00 177.00 176.00 2x1b s SER 17 N -2.72 -0.15 0.00 6.66 0.15 -1.26 -5.02 113.70 111.36 2x1b s SER 17 Ca 0.67 0.27 0.28 0.00 0.70 0.00 0.00 55.95 57.86 2x1b s SER 17 Cb -0.22 0.35 1.05 0.00 -1.71 0.00 0.00 66.02 65.49 2x1b s SER 17 CO 0.49 -0.12 1.78 0.54 1.20 0.00 0.00 173.24 177.12 2x1b n ARG 18 N 2.68 0.12 -4.12 5.44 1.74 -1.26 -4.76 116.66 116.50 2x1b n ARG 18 Ca -0.14 -0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.55 2x1b n ARG 18 Cb 0.58 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.43 2x1b n ARG 18 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2x1b s VAL 19 N -2.90 4.74 0.15 1.55 1.01 -1.26 -0.77 120.40 122.92 2x1b s VAL 19 Ca 0.16 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.15 2x1b s VAL 19 Cb 0.19 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2x1b s VAL 19 CO 0.57 0.55 -0.18 0.68 0.00 0.00 0.00 175.10 176.71 2x1b s VAL 20 N -0.36 1.74 0.08 2.92 -7.23 0.04 -0.81 120.40 116.78 2x1b s VAL 20 Ca 0.09 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2x1b s VAL 20 Cb -0.12 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 2x1b s VAL 20 CO 0.02 -0.32 0.27 -0.72 -0.31 0.00 0.00 175.10 174.04 2x1b s TYR 21 N -2.02 3.51 -0.16 2.82 -0.85 -0.24 -0.96 117.35 119.45 2x1b s TYR 21 Ca 0.14 0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 57.08 2x1b s TYR 21 Cb -0.06 -1.87 0.04 0.00 0.38 0.00 0.00 41.96 40.45 2x1b s TYR 21 CO 0.06 0.54 -0.05 -1.17 -1.52 0.00 0.00 175.55 173.42 2x1b s LEU 22 N -2.45 1.57 0.44 -3.49 2.96 0.68 -2.60 118.68 115.79 2x1b s LEU 22 Ca 0.36 -0.66 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 2x1b s LEU 22 Cb -0.13 -0.88 -0.06 0.00 0.50 0.00 0.00 46.19 45.62 2x1b s LEU 22 CO 0.25 -0.19 0.02 -0.83 -1.32 0.00 0.00 176.35 174.28 2x1b s GLY 23 N 1.65 2.63 -1.68 7.98 0.00 0.44 -0.64 107.32 117.69 2x1b s GLY 23 Ca 0.01 -1.81 -0.02 0.00 0.00 0.00 0.00 44.72 42.90 2x1b s GLY 23 CO -0.08 -2.12 0.24 1.44 0.00 0.00 0.00 173.10 172.58 2x1b n SER 24 N -1.06 -5.95 -4.73 1.64 7.64 -1.02 -1.32 113.62 108.83 2x1b n SER 24 Ca -0.08 -0.12 -0.41 0.00 1.01 0.00 0.00 58.87 59.26 2x1b n SER 24 Cb 0.67 -4.89 -0.04 0.00 -1.01 0.00 0.00 64.21 58.94 2x1b n SER 24 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2x1b s ILE 25 N -3.09 4.00 0.21 0.44 1.01 -0.18 -4.44 121.20 119.15 2x1b s ILE 25 Ca 0.12 1.61 -0.31 0.00 0.00 0.00 0.00 60.65 62.07 2x1b s ILE 25 Cb -0.05 -4.03 -0.15 0.00 0.01 0.00 0.00 42.46 38.23 2x1b s ILE 25 CO 0.15 0.22 1.09 -2.65 0.00 0.00 0.00 174.94 173.75 2x1b n PRO 26 N 2.92 1.20 0.26 2.79 -0.02 -1.26 -4.50 135.00 136.37 2x1b n PRO 26 Ca 0.05 0.42 0.17 0.00 -2.02 0.00 0.00 63.50 62.12 2x1b n PRO 26 Cb 0.47 -1.86 0.75 0.00 -0.02 0.00 0.00 33.50 32.83 2x1b n PRO 26 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2x1b h TYR 27 N 2.83 0.00 -0.01 6.00 -1.99 -1.93 -1.70 116.97 120.16 2x1b h TYR 27 Ca -0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.32 2x1b h TYR 27 Cb 1.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.07 2x1b h TYR 27 CO 0.51 0.00 -0.14 -0.40 -0.00 0.00 0.00 178.16 178.14 2x1b n ASP 28 N -2.88 1.02 -4.74 3.88 5.75 -1.26 -4.40 116.55 113.92 2x1b n ASP 28 Ca 0.00 -1.02 -0.41 0.00 -0.01 0.00 0.00 54.79 53.34 2x1b n ASP 28 Cb 0.23 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 2x1b n ASP 28 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2x1b s GLN 29 N -2.32 4.43 0.51 0.11 -1.52 -0.64 -5.02 119.66 115.22 2x1b s GLN 29 Ca 0.31 1.96 -0.03 0.00 -1.95 0.00 0.00 55.36 55.65 2x1b s GLN 29 Cb 0.20 -3.22 0.00 0.00 -0.22 0.00 0.00 33.01 29.77 2x1b s GLN 29 CO 0.45 -0.19 0.78 0.95 -0.25 0.00 0.00 175.29 177.03 2x1b s THR 30 N 0.11 3.87 0.29 -0.19 -4.23 -1.26 -4.96 115.64 109.27 2x1b s THR 30 Ca 0.55 -0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 2x1b s THR 30 Cb -0.34 -3.48 0.21 0.00 1.34 0.00 0.00 72.50 70.23 2x1b s THR 30 CO 0.37 -0.41 1.91 -0.08 -0.54 0.00 0.00 174.62 175.86 2x1b h GLU 31 N 0.13 0.95 -0.70 3.99 4.81 -1.99 -1.72 114.58 120.05 2x1b h GLU 31 Ca -0.46 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 58.68 2x1b h GLU 31 Cb 1.25 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2x1b h GLU 31 CO 0.59 0.72 0.45 1.49 -0.73 0.00 0.00 179.01 181.53 2x1b h GLU 32 N 0.96 0.87 -0.34 1.92 4.81 -1.99 -0.02 114.58 120.78 2x1b h GLU 32 Ca 0.24 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 2x1b h GLU 32 Cb 0.07 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2x1b h GLU 32 CO -0.03 0.58 0.01 1.96 -0.73 0.00 0.00 179.01 180.79 2x1b h GLN 33 N 0.90 0.60 -0.34 1.92 4.20 -1.80 -1.44 115.11 119.15 2x1b h GLN 33 Ca 0.27 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 2x1b h GLN 33 Cb -0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2x1b h GLN 33 CO -0.09 0.72 -0.27 0.82 -0.67 0.00 0.00 178.83 179.34 2x1b h ILE 34 N 0.41 1.28 -0.79 2.54 1.08 -1.18 -1.00 117.51 119.86 2x1b h ILE 34 Ca 0.10 -1.39 -0.03 0.00 -0.39 0.00 0.00 64.86 63.16 2x1b h ILE 34 Cb 0.44 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 2x1b h ILE 34 CO 0.02 0.45 0.39 0.25 -0.69 0.00 0.00 178.15 178.57 2x1b h LEU 35 N 0.61 1.02 -0.54 1.44 5.85 -0.89 -0.60 115.31 122.20 2x1b h LEU 35 Ca 0.08 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2x1b h LEU 35 Cb 0.77 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2x1b h LEU 35 CO 0.06 0.86 0.29 0.44 -0.34 0.00 0.00 178.44 179.76 2x1b h ASP 36 N 1.11 0.67 -0.19 1.25 3.32 -0.87 0.35 116.42 122.06 2x1b h ASP 36 Ca 0.27 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2x1b h ASP 36 Cb 0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2x1b h ASP 36 CO -0.04 0.57 0.12 0.25 -1.72 0.00 0.00 179.24 178.42 2x1b h LEU 37 N 0.72 0.22 -0.58 1.55 5.85 -0.82 -2.37 115.31 119.89 2x1b h LEU 37 Ca 0.19 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 2x1b h LEU 37 Cb 0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2x1b h LEU 37 CO -0.03 0.19 -0.35 0.00 -0.34 0.00 0.00 178.44 177.92 2x1b h SER 39 N 0.63 0.26 -0.86 0.00 0.02 -0.73 -0.56 113.55 112.31 2x1b h SER 39 Ca 0.06 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2x1b h SER 39 Cb 0.88 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.30 2x1b h SER 39 CO 0.08 0.33 0.55 -1.13 -1.14 0.00 0.00 176.83 175.52 2x1b h ASN 40 N 0.28 0.91 -0.09 3.07 -0.73 -1.31 -2.74 115.58 114.97 2x1b h ASN 40 Ca 0.07 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 2x1b h ASN 40 Cb 0.22 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.60 2x1b h ASN 40 CO 0.01 0.62 -0.04 0.58 -0.37 0.00 0.00 177.43 178.23 2x1b h VAL 41 N 1.07 1.32 0.00 2.57 2.07 -1.18 -3.49 116.25 118.61 2x1b h VAL 41 Ca 0.34 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2x1b h VAL 41 Cb 0.02 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2x1b h VAL 41 CO -0.12 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.38 2x1b n GLY 42 N 0.01 -0.70 3.71 2.17 0.00 -0.36 -4.90 105.19 105.11 2x1b n GLY 42 Ca -0.07 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2x1b n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2x1b s PRO 43 N -2.00 4.16 -0.15 1.61 0.02 -1.26 -3.88 135.00 133.50 2x1b s PRO 43 Ca 0.00 2.51 -0.07 0.00 0.02 0.00 0.00 61.00 63.46 2x1b s PRO 43 Cb 0.00 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 2x1b s PRO 43 CO 0.00 -0.73 0.10 0.08 -0.33 0.00 0.00 177.00 176.12 2x1b s VAL 44 N 1.70 5.14 -0.41 3.83 1.01 -1.26 -0.63 120.40 129.79 2x1b s VAL 44 Ca 0.75 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.88 2x1b s VAL 44 Cb -0.46 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2x1b s VAL 44 CO 0.33 0.53 0.35 2.30 0.00 0.00 0.00 175.10 178.61 2x1b n ILE 45 N 2.80 0.00 -3.53 2.22 -5.35 0.76 -4.81 119.36 111.45 2x1b n ILE 45 Ca -0.18 -0.35 -0.14 0.00 -0.27 0.00 0.00 62.75 61.81 2x1b n ILE 45 Cb 0.53 1.02 -0.05 0.00 -1.74 0.00 0.00 39.64 39.40 2x1b n ILE 45 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2x1b s ASN 46 N -1.58 -0.53 -0.15 7.28 2.47 -1.00 -4.98 114.94 116.45 2x1b s ASN 46 Ca 0.03 0.50 -0.07 0.00 0.42 0.00 0.00 52.86 53.74 2x1b s ASN 46 Cb 0.06 0.45 0.06 0.00 -1.45 0.00 0.00 41.25 40.37 2x1b s ASN 46 CO 0.28 -0.54 0.34 -0.22 -3.72 0.00 0.00 177.10 173.24 2x1b s LEU 47 N -1.38 -0.11 -0.27 3.21 0.20 -1.26 -0.83 118.68 118.24 2x1b s LEU 47 Ca -0.06 0.77 0.00 0.00 0.69 0.00 0.00 54.13 55.54 2x1b s LEU 47 Cb -0.00 1.08 0.08 0.00 -0.43 0.00 0.00 46.19 46.92 2x1b s LEU 47 CO 0.04 -0.20 0.02 -0.75 -0.29 0.00 0.00 176.35 175.17 2x1b s LYS 48 N 1.78 1.22 0.12 1.98 2.20 0.21 -5.01 119.74 122.24 2x1b s LYS 48 Ca -0.06 -1.11 -0.24 0.00 -0.36 0.00 0.00 55.97 54.20 2x1b s LYS 48 Cb -0.10 -2.47 -0.07 0.00 -1.51 0.00 0.00 37.83 33.68 2x1b s LYS 48 CO -0.11 -0.78 0.72 1.41 -0.36 0.00 0.00 175.35 176.23 2x1b s MET 49 N 1.42 4.46 -0.11 4.03 -2.45 -1.26 -1.21 119.30 124.18 2x1b s MET 49 Ca 0.02 1.03 -0.17 0.00 -1.25 0.00 0.00 55.69 55.32 2x1b s MET 49 Cb -0.18 -3.28 -0.05 0.00 1.25 0.00 0.00 34.83 32.58 2x1b s MET 49 CO -0.12 0.53 0.43 -1.64 1.05 0.00 0.00 175.02 175.27 2x1b s MET 50 N -0.93 4.26 0.10 4.11 1.00 -0.66 -5.00 119.30 122.18 2x1b s MET 50 Ca 0.34 0.38 0.06 0.00 0.00 0.00 0.00 55.69 56.48 2x1b s MET 50 Cb -0.22 -3.40 -0.03 0.00 0.00 0.00 0.00 34.83 31.18 2x1b s MET 50 CO 0.24 0.26 -0.16 -0.06 0.00 0.00 0.00 175.02 175.30 2x1b s PHE 51 N 0.31 1.44 0.10 -0.03 0.08 -1.26 -0.37 117.98 118.25 2x1b s PHE 51 Ca 0.24 -0.48 -0.31 0.00 0.12 0.00 0.00 56.93 56.50 2x1b s PHE 51 Cb -0.15 -0.78 -0.08 0.00 -0.57 0.00 0.00 43.02 41.44 2x1b s PHE 51 CO 0.10 0.13 1.43 0.34 -0.10 0.00 0.00 175.22 177.12 2x1b s ASP 52 N -2.06 6.79 0.56 1.36 2.15 0.63 -4.84 116.67 121.25 2x1b s ASP 52 Ca 0.04 2.33 0.28 0.00 0.43 0.00 0.00 52.55 55.64 2x1b s ASP 52 Cb -0.08 -2.58 1.64 0.00 -0.30 0.00 0.00 42.92 41.60 2x1b s ASP 52 CO 0.03 -0.70 2.17 -0.65 -0.17 0.00 0.00 175.17 175.85 2x1b h PRO 53 N 7.12 0.00 0.00 4.34 0.11 -1.96 0.85 132.00 142.47 2x1b h PRO 53 Ca -0.41 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.41 2x1b h PRO 53 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2x1b h PRO 53 CO 0.88 0.06 -1.71 1.04 -0.21 0.00 0.00 178.00 178.06 2x1b n GLN 54 N -3.76 0.56 0.16 1.05 6.02 -1.26 -4.59 117.38 115.56 2x1b n GLN 54 Ca -0.02 0.40 0.12 0.00 -0.01 0.00 0.00 57.00 57.48 2x1b n GLN 54 Cb 0.16 -1.60 0.09 0.00 1.02 0.00 0.00 30.24 29.91 2x1b n GLN 54 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2x1b h THR 55 N -1.00 0.00 0.00 5.09 1.35 -1.98 -3.47 112.91 112.90 2x1b h THR 55 Ca -0.43 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 2x1b h THR 55 Cb 1.32 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 2x1b h THR 55 CO -0.26 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.62 2x1b n GLY 56 N 1.14 0.61 3.77 5.82 0.00 0.29 -4.98 105.19 111.83 2x1b n GLY 56 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2x1b n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x1b s ARG 57 N -0.39 4.07 0.41 1.61 0.52 -1.26 -4.54 118.95 119.38 2x1b s ARG 57 Ca 0.00 2.13 -0.27 0.00 -0.52 0.00 0.00 55.73 57.08 2x1b s ARG 57 Cb 0.00 -2.82 -0.10 0.00 0.52 0.00 0.00 34.95 32.55 2x1b s ARG 57 CO 0.00 -0.40 1.44 0.45 0.02 0.00 0.00 175.30 176.80 2x1b s SER 58 N -0.73 6.16 0.00 0.23 0.15 -1.26 -0.27 113.70 117.99 2x1b s SER 58 Ca 0.55 2.94 0.29 0.00 0.70 0.00 0.00 55.95 60.43 2x1b s SER 58 Cb -0.38 -2.66 1.21 0.00 -1.71 0.00 0.00 66.02 62.48 2x1b s SER 58 CO 0.49 -0.98 1.83 0.29 1.20 0.00 0.00 173.24 176.07 2x1b n LYS 59 N 0.17 1.38 -1.31 5.44 5.02 0.50 -4.77 118.16 124.59 2x1b n LYS 59 Ca 0.03 -0.67 -0.02 0.00 -2.02 0.00 0.00 58.31 55.62 2x1b n LYS 59 Cb 0.41 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 2x1b n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x1b n GLY 60 N 1.16 0.49 3.33 0.72 0.00 -1.26 -4.96 105.19 104.67 2x1b n GLY 60 Ca 0.19 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 2x1b n GLY 60 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x1b s TYR 61 N -2.10 -0.05 0.08 1.61 -0.85 -1.26 -1.01 117.35 113.76 2x1b s TYR 61 Ca 0.00 -0.30 -0.13 0.00 -0.52 0.00 0.00 57.07 56.13 2x1b s TYR 61 Cb 0.00 0.18 0.02 0.00 0.38 0.00 0.00 41.96 42.54 2x1b s TYR 61 CO 0.00 -0.70 0.29 0.00 -1.52 0.00 0.00 175.55 173.61 2x1b s ALA 62 N -3.84 -0.60 -0.12 9.51 0.00 0.18 -1.66 121.76 125.24 2x1b s ALA 62 Ca 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 2x1b s ALA 62 Cb 0.02 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2x1b s ALA 62 CO -0.09 -0.50 -0.06 -0.06 0.00 0.00 0.00 175.76 175.06 2x1b s PHE 63 N -3.25 2.98 -0.07 0.00 0.08 -0.35 -0.23 117.98 117.14 2x1b s PHE 63 Ca -0.00 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 56.88 2x1b s PHE 63 Cb 0.02 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2x1b s PHE 63 CO -0.08 0.11 -0.12 0.42 -0.10 0.00 0.00 175.22 175.45 2x1b s ILE 64 N -0.14 1.13 -0.24 0.64 1.09 -0.13 -0.62 121.20 122.93 2x1b s ILE 64 Ca 0.02 -0.46 -0.08 0.00 -1.10 0.00 0.00 60.65 59.03 2x1b s ILE 64 Cb -0.13 -1.05 -0.04 0.00 -1.06 0.00 0.00 42.46 40.19 2x1b s ILE 64 CO 0.03 0.36 0.10 -0.70 -0.10 0.00 0.00 174.94 174.63 2x1b s GLU 65 N 0.80 3.83 0.37 2.79 2.12 -0.01 -0.78 118.70 127.82 2x1b s GLU 65 Ca -0.12 -0.39 -0.03 0.00 0.36 0.00 0.00 54.97 54.79 2x1b s GLU 65 Cb -0.15 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2x1b s GLU 65 CO 0.02 -0.07 0.61 -0.06 -0.54 0.00 0.00 175.26 175.23 2x1b s PHE 66 N 1.34 3.51 0.37 5.30 0.08 0.05 -0.17 117.98 128.46 2x1b s PHE 66 Ca 0.06 0.56 0.08 0.00 0.12 0.00 0.00 56.93 57.75 2x1b s PHE 66 Cb -0.15 -2.07 0.71 0.00 -0.57 0.00 0.00 43.02 40.95 2x1b s PHE 66 CO 0.05 0.03 1.88 -0.09 -0.10 0.00 0.00 175.22 176.99 2x1b h ARG 67 N 0.89 0.27 -4.36 0.44 2.43 -1.18 -3.43 114.38 109.45 2x1b h ARG 67 Ca -0.48 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 58.44 2x1b h ARG 67 Cb 1.21 -0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.58 2x1b h ARG 67 CO 0.63 0.44 -0.59 0.16 -1.51 0.00 0.00 179.97 179.10 2x1b s ASP 68 N -6.86 0.24 0.34 -3.80 1.47 -1.26 -5.06 116.67 101.73 2x1b s ASP 68 Ca -0.06 -1.18 0.07 0.00 1.18 0.00 0.00 52.55 52.57 2x1b s ASP 68 Cb 0.15 0.33 0.61 0.00 -0.34 0.00 0.00 42.92 43.67 2x1b s ASP 68 CO 0.74 -0.78 1.81 -0.07 0.68 0.00 0.00 175.17 177.56 2x1b h LEU 69 N 2.77 0.29 -0.61 2.11 3.38 -1.89 -2.76 115.31 118.61 2x1b h LEU 69 Ca -0.35 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2x1b h LEU 69 Cb 1.21 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2x1b h LEU 69 CO 0.56 0.53 0.20 -0.33 0.09 0.00 0.00 178.44 179.49 2x1b h GLU 70 N 0.27 0.95 -0.34 1.13 5.08 -1.97 -2.38 114.58 117.32 2x1b h GLU 70 Ca 0.05 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2x1b h GLU 70 Cb 0.56 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2x1b h GLU 70 CO 0.04 0.83 -0.01 0.77 -1.00 0.00 0.00 179.01 179.64 2x1b h SER 71 N 0.87 0.59 -0.71 1.42 0.02 -1.84 0.09 113.55 113.99 2x1b h SER 71 Ca 0.20 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2x1b h SER 71 Cb 0.28 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2x1b h SER 71 CO -0.01 0.76 0.23 0.77 -1.14 0.00 0.00 176.83 177.44 2x1b h SER 72 N 0.41 1.04 -0.61 3.07 4.64 -1.51 -0.29 113.55 120.30 2x1b h SER 72 Ca 0.09 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 2x1b h SER 72 Cb 0.46 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2x1b h SER 72 CO 0.02 0.96 0.24 0.00 -0.87 0.00 0.00 176.83 177.18 2x1b h ALA 73 N 1.17 0.79 -0.62 5.18 0.00 -1.31 -1.65 119.26 122.83 2x1b h ALA 73 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2x1b h ALA 73 Cb 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2x1b h ALA 73 CO -0.01 0.41 0.34 1.03 0.00 0.00 0.00 179.25 181.02 2x1b h SER 74 N 0.85 0.76 -0.49 0.00 0.87 -0.69 -1.57 113.55 113.28 2x1b h SER 74 Ca 0.20 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2x1b h SER 74 Cb 0.21 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2x1b h SER 74 CO -0.02 0.61 0.09 0.00 -0.53 0.00 0.00 176.83 176.98 2x1b h ALA 75 N 1.52 0.65 -0.51 6.23 0.00 -0.60 0.14 119.26 126.68 2x1b h ALA 75 Ca 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2x1b h ALA 75 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2x1b h ALA 75 CO -0.04 0.37 0.25 0.28 0.00 0.00 0.00 179.25 180.12 2x1b h VAL 76 N 0.68 1.19 -0.24 0.00 2.07 -0.99 0.16 116.25 119.13 2x1b h VAL 76 Ca 0.15 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2x1b h VAL 76 Cb 0.38 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2x1b h VAL 76 CO 0.01 0.21 -0.00 -0.09 0.02 0.00 0.00 177.57 177.72 2x1b h ARG 77 N 0.68 0.42 0.04 1.57 2.43 -1.10 -2.91 114.38 115.52 2x1b h ARG 77 Ca 0.18 -0.14 -0.32 0.00 -0.81 0.00 0.00 59.98 58.89 2x1b h ARG 77 Cb 0.11 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2x1b h ARG 77 CO -0.02 0.60 -1.85 0.09 -1.51 0.00 0.00 179.97 177.28 2x1b n ASN 78 N -4.64 1.25 0.04 -3.80 4.13 0.48 -4.38 115.26 108.34 2x1b n ASN 78 Ca -0.04 0.32 0.06 0.00 1.68 0.00 0.00 54.58 56.61 2x1b n ASN 78 Cb 0.24 -0.27 -0.07 0.00 -1.54 0.00 0.00 39.78 38.14 2x1b n ASN 78 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2x1b n LEU 79 N -3.17 0.61 -4.66 3.41 4.77 0.56 -4.35 117.00 114.17 2x1b n LEU 79 Ca -0.23 0.25 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 2x1b n LEU 79 Cb 1.05 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 42.15 2x1b n LEU 79 CO 0.44 -0.00 1.27 0.21 -1.33 0.00 0.00 177.39 177.97 2x1b s ASN 80 N -5.31 6.76 0.00 -1.43 2.47 -1.10 -1.71 114.94 114.62 2x1b s ASN 80 Ca -0.03 2.02 0.00 0.00 0.42 0.00 0.00 52.86 55.26 2x1b s ASN 80 Cb 0.10 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2x1b s ASN 80 CO 0.83 -0.88 0.00 0.61 -3.72 0.00 0.00 177.10 173.94 2x1b n GLY 81 N 3.96 0.84 3.73 1.21 0.00 0.57 -4.93 105.19 110.58 2x1b n GLY 81 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2x1b n GLY 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2x1b s TYR 82 N -3.31 3.12 -0.37 1.61 5.04 -0.69 -4.66 117.35 118.08 2x1b s TYR 82 Ca 0.00 0.88 -0.22 0.00 -2.44 0.00 0.00 57.07 55.29 2x1b s TYR 82 Cb 0.00 -3.80 0.01 0.00 0.35 0.00 0.00 41.96 38.51 2x1b s TYR 82 CO 0.00 -2.80 0.72 -1.14 -1.34 0.00 0.00 175.55 170.99 2x1b s GLN 83 N 0.60 3.69 -0.30 4.97 0.74 -1.26 -0.82 119.66 127.29 2x1b s GLN 83 Ca 0.64 0.17 0.01 0.00 0.05 0.00 0.00 55.36 56.23 2x1b s GLN 83 Cb -0.41 -3.82 0.07 0.00 1.10 0.00 0.00 33.01 29.95 2x1b s GLN 83 CO 0.35 -0.82 -0.03 -1.17 -0.55 0.00 0.00 175.29 173.07 2x1b s LEU 84 N 2.95 3.94 0.00 3.68 2.96 -0.50 -4.98 118.68 126.73 2x1b s LEU 84 Ca 0.28 -1.54 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 2x1b s LEU 84 Cb -0.14 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.92 2x1b s LEU 84 CO 0.16 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 2x1b n GLY 85 N 4.47 3.72 0.46 7.98 0.00 -1.26 -1.82 105.19 118.73 2x1b n GLY 85 Ca -0.10 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2x1b n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x1b n SER 86 N 5.87 1.40 -4.71 1.61 3.41 -1.26 -4.93 113.62 115.01 2x1b n SER 86 Ca 0.00 -1.53 -0.26 0.00 -0.26 0.00 0.00 58.87 56.82 2x1b n SER 86 Cb 0.00 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 2x1b n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2x1b s ARG 87 N -1.93 2.57 -0.26 4.33 1.81 -0.76 -5.10 118.95 119.62 2x1b s ARG 87 Ca 0.36 -1.05 -0.04 0.00 -1.72 0.00 0.00 55.73 53.28 2x1b s ARG 87 Cb 0.20 -2.44 0.01 0.00 -0.45 0.00 0.00 34.95 32.26 2x1b s ARG 87 CO 0.31 0.46 -0.00 -0.06 -0.68 0.00 0.00 175.30 175.32 2x1b s PHE 88 N -1.79 3.06 0.63 -0.53 0.08 -1.26 -1.41 117.98 116.76 2x1b s PHE 88 Ca 0.29 -1.11 -0.17 0.00 0.12 0.00 0.00 56.93 56.06 2x1b s PHE 88 Cb -0.09 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2x1b s PHE 88 CO 0.20 -0.60 1.13 -0.51 -0.10 0.00 0.00 175.22 175.34 2x1b s LEU 89 N 1.45 3.51 -0.07 -0.37 1.43 0.00 -4.73 118.68 119.90 2x1b s LEU 89 Ca 0.03 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.28 2x1b s LEU 89 Cb -0.16 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.47 2x1b s LEU 89 CO -0.01 -1.57 -0.16 -0.54 0.23 0.00 0.00 176.35 174.29 2x1b s LYS 90 N -3.77 2.71 -0.09 1.70 1.02 -0.43 -0.31 119.74 120.57 2x1b s LYS 90 Ca 0.70 -0.74 -0.04 0.00 0.02 0.00 0.00 55.97 55.91 2x1b s LYS 90 Cb -0.23 -2.39 0.04 0.00 -0.52 0.00 0.00 37.83 34.73 2x1b s LYS 90 CO 0.37 0.48 0.19 0.00 -0.92 0.00 0.00 175.35 175.47 2x1b s GLY 92 N 1.40 1.19 0.34 0.00 0.00 -1.07 -4.57 107.32 104.62 2x1b s GLY 92 Ca -0.07 -1.31 -0.26 0.00 0.00 0.00 0.00 44.72 43.07 2x1b s GLY 92 CO -0.07 -0.80 1.03 -0.19 0.00 0.00 0.00 173.10 173.07 2x1b s TYR 93 N -2.75 3.49 0.00 1.90 2.02 -1.26 -1.08 117.35 119.67 2x1b s TYR 93 Ca 0.26 1.71 0.00 0.00 -0.37 0.00 0.00 57.07 58.67 2x1b s TYR 93 Cb -0.02 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.43 2x1b s TYR 93 CO 0.18 -0.35 0.00 0.45 -1.57 0.00 0.00 175.55 174.27 2x1b n SER 94 N 0.48 1.16 -4.16 2.29 2.88 0.01 -4.64 113.62 111.65 2x1b n SER 94 Ca 0.02 -0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.25 2x1b n SER 94 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 2x1b n SER 94 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2x1b s SER 95 N 0.65 0.51 0.34 -3.46 1.04 -1.26 -4.56 113.70 106.96 2x1b s SER 95 Ca 0.00 -1.42 0.05 0.00 0.48 0.00 0.00 55.95 55.05 2x1b s SER 95 Cb 0.00 0.35 0.68 0.00 0.10 0.00 0.00 66.02 67.15 2x1b s SER 95 CO 0.00 -0.84 1.92 0.78 0.98 0.00 0.00 173.24 176.08 2x1b h ASN 96 N 2.53 0.75 -0.93 7.02 2.35 -2.00 -2.43 115.58 122.88 2x1b h ASN 96 Ca -0.36 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.44 2x1b h ASN 96 Cb 1.25 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 39.42 2x1b h ASN 96 CO 0.53 0.46 0.60 0.28 -1.65 0.00 0.00 177.43 177.66 2x1b h SER 97 N 0.84 1.02 -0.03 5.81 0.02 -1.96 -1.27 113.55 117.99 2x1b h SER 97 Ca 0.37 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2x1b h SER 97 Cb 0.34 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 2x1b h SER 97 CO -0.14 0.71 -0.00 0.44 -1.14 0.00 0.00 176.83 176.69 2x1b h ASP 98 N 1.19 0.04 1.03 3.07 5.19 -1.76 -2.27 116.42 122.90 2x1b h ASP 98 Ca 0.36 -0.33 -0.06 0.00 -0.62 0.00 0.00 57.03 56.39 2x1b h ASP 98 Cb -0.03 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2x1b h ASP 98 CO -0.11 0.36 -0.28 -0.29 -3.12 0.00 0.00 179.24 175.80 2x1b h ILE 99 N -0.27 0.64 0.00 0.35 2.10 -1.43 -2.89 117.51 116.00 2x1b h ILE 99 Ca 0.01 -1.34 0.00 0.00 1.08 0.00 0.00 64.86 64.61 2x1b h ILE 99 Cb 0.34 1.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 2x1b h ILE 99 CO 0.00 0.28 -0.26 -1.54 -1.08 0.00 0.00 178.15 175.55 2x1b n SER 100 N -3.38 0.77 0.00 2.19 3.41 -0.49 -4.92 113.62 111.21 2x1b n SER 100 Ca 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2x1b n SER 100 Cb 0.49 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2x1b n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49