#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiv n PRO 2 N 0.00 1.17 -2.60 1.61 -0.04 -1.26 -4.84 135.00 129.04 2aiv n PRO 2 Ca 0.00 -0.35 -0.41 0.00 -0.04 0.00 0.00 63.50 62.70 2aiv n PRO 2 Cb 0.00 -1.17 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 2aiv n PRO 2 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2aiv s ASN 3 N 0.68 7.37 0.20 3.54 0.01 -1.26 -4.95 114.94 120.53 2aiv s ASN 3 Ca 0.07 2.01 -0.08 0.00 -0.71 0.00 0.00 52.86 54.14 2aiv s ASN 3 Cb 0.06 -2.60 0.12 0.00 0.41 0.00 0.00 41.25 39.24 2aiv s ASN 3 CO 0.01 -0.13 1.71 -0.33 -1.51 0.00 0.00 177.10 176.85 2aiv h GLU 4 N 5.04 1.13 -0.97 -0.60 5.08 -2.05 -2.95 114.58 119.26 2aiv h GLU 4 Ca -0.44 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.64 2aiv h GLU 4 Cb 1.21 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2aiv h GLU 4 CO 0.71 1.01 0.61 -0.91 -1.00 0.00 0.00 179.01 179.43 2aiv h ASN 5 N 1.06 1.14 -3.20 1.42 2.35 -1.94 -3.41 115.58 113.00 2aiv h ASN 5 Ca 0.22 -0.05 -0.62 0.00 -0.55 0.00 0.00 56.30 55.29 2aiv h ASN 5 Cb 0.40 -0.29 -0.14 0.00 0.05 0.00 0.00 38.32 38.35 2aiv h ASN 5 CO 0.01 0.86 -0.54 -0.31 -1.65 0.00 0.00 177.43 175.80 2aiv s TYR 6 N -6.03 3.33 -0.16 1.19 1.51 -1.12 -4.39 117.35 111.69 2aiv s TYR 6 Ca -0.13 0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 2aiv s TYR 6 Cb 0.18 -2.06 0.01 0.00 -0.11 0.00 0.00 41.96 39.97 2aiv s TYR 6 CO 0.82 0.29 -0.19 -0.47 -1.11 0.00 0.00 175.55 174.90 2aiv s TYR 7 N 0.09 2.75 -0.10 2.71 6.14 -0.90 -4.43 117.35 123.62 2aiv s TYR 7 Ca 0.07 -1.40 0.01 0.00 0.64 0.00 0.00 57.07 56.39 2aiv s TYR 7 Cb -0.12 -1.89 0.02 0.00 0.42 0.00 0.00 41.96 40.39 2aiv s TYR 7 CO 0.00 -0.67 -0.10 0.42 0.64 0.00 0.00 175.55 175.84 2aiv s ILE 8 N 1.06 1.13 -1.20 3.14 1.01 -1.26 -2.16 121.20 122.92 2aiv s ILE 8 Ca -0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 2aiv s ILE 8 Cb -0.14 -1.09 0.22 0.00 0.01 0.00 0.00 42.46 41.45 2aiv s ILE 8 CO -0.06 0.37 1.77 -1.20 0.00 0.00 0.00 174.94 175.82 2aiv n SER 9 N 4.52 5.84 -3.38 3.58 7.64 0.11 -1.67 113.62 130.25 2aiv n SER 9 Ca -0.17 -3.25 -0.16 0.00 1.01 0.00 0.00 58.87 56.30 2aiv n SER 9 Cb 0.51 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.29 2aiv n SER 9 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2aiv n PRO 10 N 2.65 1.34 -0.95 1.43 -0.04 -1.26 -3.52 135.00 134.65 2aiv n PRO 10 Ca 0.36 -1.89 -0.35 0.00 -0.04 0.00 0.00 63.50 61.58 2aiv n PRO 10 Cb 0.34 0.48 0.03 0.00 -0.04 0.00 0.00 33.50 34.31 2aiv n PRO 10 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2aiv n SER 11 N -1.23 -4.55 -0.38 3.54 3.41 -0.67 -4.23 113.62 109.52 2aiv n SER 11 Ca -0.10 0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 2aiv n SER 11 Cb 0.33 -0.62 0.13 0.00 -0.26 0.00 0.00 64.21 63.79 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2aiv h LEU 12 N -0.95 1.13 -0.30 1.04 3.38 -1.91 0.20 115.31 117.91 2aiv h LEU 12 Ca -0.40 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 2aiv h LEU 12 Cb 1.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2aiv h LEU 12 CO 0.21 0.80 -0.14 0.44 0.09 0.00 0.00 178.44 179.84 2aiv h ASP 13 N 1.33 0.64 -0.93 -0.43 3.45 -1.99 -1.42 116.42 117.07 2aiv h ASP 13 Ca 0.38 -0.41 0.01 0.00 0.43 0.00 0.00 57.03 57.44 2aiv h ASP 13 Cb -0.09 -0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 38.46 2aiv h ASP 13 CO -0.10 0.91 0.60 0.74 -1.57 0.00 0.00 179.24 179.82 2aiv h THR 14 N 0.37 1.24 -0.38 0.35 2.02 -1.71 -2.24 112.91 112.56 2aiv h THR 14 Ca 0.07 -0.47 -0.16 0.00 0.77 0.00 0.00 66.41 66.62 2aiv h THR 14 Cb 0.66 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2aiv h THR 14 CO 0.04 0.24 -0.39 0.25 0.37 0.00 0.00 175.52 176.04 2aiv h LEU 15 N 1.27 1.00 -1.62 2.58 5.85 -0.89 -3.04 115.31 120.46 2aiv h LEU 15 Ca 0.34 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2aiv h LEU 15 Cb -0.12 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.63 2aiv h LEU 15 CO -0.07 1.26 0.00 0.77 -0.34 0.00 0.00 178.44 180.06 2aiv h SER 16 N 0.76 0.00 0.12 1.25 4.64 -0.95 -2.63 113.55 116.75 2aiv h SER 16 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2aiv h SER 16 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2aiv h SER 16 CO 0.10 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.52 2aiv n SER 17 N -3.07 0.02 -4.77 4.97 3.41 -0.87 -4.68 113.62 108.63 2aiv n SER 17 Ca 0.00 0.51 -0.40 0.00 -0.26 0.00 0.00 58.87 58.71 2aiv n SER 17 Cb 0.28 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 2aiv n SER 17 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2aiv s TYR 18 N -3.01 3.26 0.21 7.33 2.02 -0.99 -5.03 117.35 121.13 2aiv s TYR 18 Ca 0.02 1.53 -0.03 0.00 -0.37 0.00 0.00 57.07 58.21 2aiv s TYR 18 Cb 0.02 -3.52 0.05 0.00 -0.40 0.00 0.00 41.96 38.12 2aiv s TYR 18 CO 0.07 -1.32 0.16 0.43 -1.57 0.00 0.00 175.55 173.32 2aiv n SER 19 N 0.95 -1.53 -0.35 2.29 7.64 -1.26 -4.44 113.62 116.91 2aiv n SER 19 Ca -0.00 -0.46 -0.03 0.00 1.01 0.00 0.00 58.87 59.38 2aiv n SER 19 Cb 0.43 -0.16 0.10 0.00 -1.01 0.00 0.00 64.21 63.57 2aiv n SER 19 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2aiv h LEU 20 N 0.00 1.09 0.11 -3.43 3.38 -1.97 -2.11 115.31 112.39 2aiv h LEU 20 Ca -0.06 -0.04 -0.29 0.00 0.09 0.00 0.00 57.88 57.58 2aiv h LEU 20 Cb 0.20 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2aiv h LEU 20 CO 0.04 0.80 -1.39 -0.07 0.09 0.00 0.00 178.44 177.91 2aiv h LEU 21 N 1.28 0.38 -0.87 1.67 3.38 -1.99 -3.27 115.31 115.87 2aiv h LEU 21 Ca 0.34 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2aiv h LEU 21 Cb -0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2aiv h LEU 21 CO -0.07 1.38 0.54 1.56 0.09 0.00 0.00 178.44 181.93 2aiv h GLN 22 N 0.07 1.17 -0.21 1.13 1.08 -1.81 0.84 115.11 117.39 2aiv h GLN 22 Ca -0.19 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 56.84 2aiv h GLN 22 Cb 1.99 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 29.16 2aiv h GLN 22 CO 0.18 0.81 -0.15 -0.07 -0.95 0.00 0.00 178.83 178.64 2aiv h LEU 23 N 1.19 0.50 -0.34 1.46 3.38 -1.52 0.55 115.31 120.52 2aiv h LEU 23 Ca 0.31 -0.45 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 2aiv h LEU 23 Cb -0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2aiv h LEU 23 CO -0.06 0.84 -0.46 0.03 0.09 0.00 0.00 178.44 178.88 2aiv h ARG 24 N 0.16 0.92 -0.62 1.13 3.08 -1.57 -3.21 114.38 114.27 2aiv h ARG 24 Ca 0.04 -0.53 -0.33 0.00 0.07 0.00 0.00 59.98 59.24 2aiv h ARG 24 Cb 0.68 0.04 -0.19 0.00 0.08 0.00 0.00 29.97 30.57 2aiv h ARG 24 CO 0.04 1.18 0.21 1.63 -1.07 0.00 0.00 179.97 181.96 2aiv n LYS 25 N -4.04 2.02 -1.68 0.04 5.02 0.29 0.08 118.16 119.89 2aiv n LYS 25 Ca -0.03 -3.14 -0.43 0.00 -2.02 0.00 0.00 58.31 52.69 2aiv n LYS 25 Cb 0.58 -1.97 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 2aiv n LYS 25 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2aiv n VAL 26 N -1.13 1.82 0.00 -0.18 3.14 0.19 -4.72 118.33 117.44 2aiv n VAL 26 Ca 0.44 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2aiv n VAL 26 Cb 1.29 -1.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 2aiv n VAL 26 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2aiv n PRO 27 N 0.83 3.12 -2.89 1.45 -0.02 -1.26 -3.83 135.00 132.41 2aiv n PRO 27 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.11 2aiv n PRO 27 Cb 0.35 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.78 2aiv n PRO 27 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2aiv s HIS 28 N 0.00 2.80 -0.14 6.00 5.65 -1.26 -3.68 115.29 124.66 2aiv s HIS 28 Ca 0.00 -0.25 -0.07 0.00 0.25 0.00 0.00 55.06 55.00 2aiv s HIS 28 Cb 0.00 -4.05 -0.04 0.00 -1.18 0.00 0.00 32.58 27.31 2aiv s HIS 28 CO 0.00 -1.39 0.09 -0.51 -0.65 0.00 0.00 174.74 172.29 2aiv s LEU 29 N 3.78 4.08 -0.18 8.88 1.43 -1.21 -4.98 118.68 130.48 2aiv s LEU 29 Ca 0.26 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2aiv s LEU 29 Cb -0.15 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.09 2aiv s LEU 29 CO 0.15 0.32 -0.20 -0.69 0.23 0.00 0.00 176.35 176.16 2aiv s VAL 30 N -0.48 2.07 -0.08 -1.59 1.01 -1.23 -0.90 120.40 119.20 2aiv s VAL 30 Ca 0.11 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2aiv s VAL 30 Cb -0.12 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2aiv s VAL 30 CO 0.02 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.79 2aiv s VAL 31 N 1.29 1.55 0.25 2.92 1.01 0.25 0.05 120.40 127.72 2aiv s VAL 31 Ca 0.05 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 2aiv s VAL 31 Cb -0.13 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.91 2aiv s VAL 31 CO -0.13 0.45 0.78 -0.83 0.00 0.00 0.00 175.10 175.36 2aiv s GLY 32 N 0.51 -0.11 -0.19 4.51 0.00 -0.92 0.55 107.32 111.68 2aiv s GLY 32 Ca -0.16 -0.22 0.16 0.00 0.00 0.00 0.00 44.72 44.50 2aiv s GLY 32 CO 0.06 -0.07 1.46 1.42 0.00 0.00 0.00 173.10 175.98 2aiv n HIS 33 N -0.46 1.08 0.00 1.90 8.25 -0.39 -2.11 115.22 123.49 2aiv n HIS 33 Ca -0.05 -0.86 0.00 0.00 -0.26 0.00 0.00 57.72 56.55 2aiv n HIS 33 Cb 0.59 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2aiv n HIS 33 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2aiv n LYS 34 N -0.37 0.00 -0.36 -0.41 5.02 -1.25 -2.77 118.16 118.02 2aiv n LYS 34 Ca 0.22 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.49 2aiv n LYS 34 Cb 0.93 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 36.04 2aiv n LYS 34 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2aiv h SER 35 N 0.00 1.11 -0.39 4.39 0.87 -1.95 -2.74 113.55 114.84 2aiv h SER 35 Ca 0.00 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.37 2aiv h SER 35 Cb 0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 2aiv h SER 35 CO 0.00 0.80 -0.37 1.88 -0.53 0.00 0.00 176.83 178.61 2aiv h TYR 36 N 1.31 1.12 0.00 2.24 -1.99 -1.91 -3.41 116.97 114.32 2aiv h TYR 36 Ca 0.35 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2aiv h TYR 36 Cb -0.15 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.34 2aiv h TYR 36 CO -0.00 1.16 0.00 0.41 -0.00 0.00 0.00 178.16 179.72 2aiv n GLY 37 N 0.10 4.12 3.77 3.88 0.00 -1.03 -3.64 105.19 112.39 2aiv n GLY 37 Ca -0.02 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 2aiv n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aiv s LYS 38 N -2.89 3.97 -0.04 1.61 1.02 0.20 -1.26 119.74 122.35 2aiv s LYS 38 Ca 0.00 -0.18 0.07 0.00 0.02 0.00 0.00 55.97 55.88 2aiv s LYS 38 Cb 0.00 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 2aiv s LYS 38 CO 0.00 0.44 -0.25 0.42 -0.92 0.00 0.00 175.35 175.04 2aiv s ILE 39 N -0.06 2.03 -0.03 2.17 1.01 0.19 0.89 121.20 127.40 2aiv s ILE 39 Ca 0.10 -1.07 0.04 0.00 0.00 0.00 0.00 60.65 59.72 2aiv s ILE 39 Cb -0.11 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 2aiv s ILE 39 CO 0.00 0.57 -0.14 -1.61 0.00 0.00 0.00 174.94 173.76 2aiv s GLU 40 N -0.37 1.41 0.16 2.79 2.02 -0.68 0.84 118.70 124.86 2aiv s GLU 40 Ca 0.03 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.60 2aiv s GLU 40 Cb -0.12 -1.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.81 2aiv s GLU 40 CO 0.01 0.20 0.01 -0.06 0.02 0.00 0.00 175.26 175.45 2aiv s PHE 41 N 0.06 2.90 0.00 1.61 0.40 -0.08 -2.06 117.98 120.81 2aiv s PHE 41 Ca -0.02 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2aiv s PHE 41 Cb -0.10 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.01 2aiv s PHE 41 CO 0.01 0.51 0.00 -0.11 0.70 0.00 0.00 175.22 176.33 2aiv n LEU 42 N -0.01 0.00 -0.07 -0.37 7.94 -1.24 -3.29 117.00 119.96 2aiv n LEU 42 Ca -0.10 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.63 2aiv n LEU 42 Cb 0.54 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.37 2aiv n LEU 42 CO 0.39 -0.04 0.09 -0.33 -1.11 0.00 0.00 177.39 176.39 2aiv h GLU 43 N 0.00 0.02 -2.84 1.96 5.08 -1.66 -3.40 114.58 113.74 2aiv h GLU 43 Ca 0.00 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2aiv h GLU 43 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2aiv h GLU 43 CO 0.00 1.01 0.63 -2.30 -1.00 0.00 0.00 179.01 177.36 2aiv n PRO 44 N -4.52 0.98 -1.65 2.33 -0.02 -1.26 -2.01 135.00 128.84 2aiv n PRO 44 Ca -0.17 -0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 60.30 2aiv n PRO 44 Cb 0.56 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.18 2aiv n PRO 44 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2aiv n VAL 45 N 3.19 3.79 -1.76 -1.45 0.31 0.11 -4.23 118.33 118.28 2aiv n VAL 45 Ca 0.21 -3.00 -0.24 0.00 -0.01 0.00 0.00 64.34 61.30 2aiv n VAL 45 Cb 0.31 -2.59 -0.05 0.00 -0.91 0.00 0.00 33.84 30.60 2aiv n VAL 45 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2aiv s ASP 46 N 2.72 4.50 -0.20 4.52 3.68 -0.31 -3.61 116.67 127.97 2aiv s ASP 46 Ca 0.53 0.04 -0.08 0.00 2.13 0.00 0.00 52.55 55.18 2aiv s ASP 46 Cb 0.15 -2.54 -0.10 0.00 -1.45 0.00 0.00 42.92 38.98 2aiv s ASP 46 CO -0.08 -3.21 -0.24 0.18 0.13 0.00 0.00 175.17 171.95 2aiv n LEU 47 N 16.16 1.82 0.00 -1.34 4.77 -1.26 -2.61 117.00 134.54 2aiv n LEU 47 Ca 0.40 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2aiv n LEU 47 Cb 0.47 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2aiv n LEU 47 CO 0.61 0.53 0.00 0.00 -1.33 0.00 0.00 177.39 177.19 2aiv n ALA 48 N -3.72 0.00 0.07 -1.18 0.00 -1.26 -0.08 120.51 114.34 2aiv n ALA 48 Ca -0.39 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2aiv n ALA 48 Cb 0.81 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.17 2aiv n ALA 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2aiv h GLY 49 N 0.00 -0.19 -7.27 0.00 0.00 -1.95 -3.39 103.07 90.27 2aiv h GLY 49 Ca 0.00 0.07 -0.37 0.00 0.00 0.00 0.00 47.33 47.03 2aiv h GLY 49 CO 0.00 -0.07 0.93 -0.26 0.00 0.00 0.00 176.54 177.15 2aiv s ILE 50 N -4.77 3.48 0.55 2.60 -4.36 0.89 -4.96 121.20 114.61 2aiv s ILE 50 Ca -0.15 -0.27 0.03 0.00 -0.26 0.00 0.00 60.65 60.01 2aiv s ILE 50 Cb 0.03 -4.11 0.03 0.00 1.25 0.00 0.00 42.46 39.66 2aiv s ILE 50 CO 0.62 -1.05 0.25 -2.16 0.24 0.00 0.00 174.94 172.83 2aiv s PRO 51 N 6.81 2.23 0.10 0.37 0.04 -1.26 -4.62 135.00 138.68 2aiv s PRO 51 Ca 0.67 -2.22 0.07 0.00 0.04 0.00 0.00 61.00 59.55 2aiv s PRO 51 Cb -0.07 -1.85 0.36 0.00 0.04 0.00 0.00 34.50 32.98 2aiv s PRO 51 CO 0.03 -0.57 1.19 1.28 0.04 0.00 0.00 177.00 178.98 2aiv n LEU 52 N -1.60 0.17 -0.34 -3.56 4.77 -1.26 -2.80 117.00 112.38 2aiv n LEU 52 Ca -0.10 0.57 0.29 0.00 -0.03 0.00 0.00 56.01 56.74 2aiv n LEU 52 Cb 0.65 -0.59 0.61 0.00 -2.33 0.00 0.00 43.42 41.76 2aiv n LEU 52 CO 0.37 -0.63 1.26 0.00 -1.33 0.00 0.00 177.39 177.06 2aiv h THR 53 N 0.00 0.42 -2.70 -5.08 1.03 -1.96 -2.78 112.91 101.85 2aiv h THR 53 Ca 0.00 -0.08 -0.60 0.00 -0.01 0.00 0.00 66.41 65.72 2aiv h THR 53 Cb 0.04 0.18 -0.40 0.00 -1.07 0.00 0.00 68.15 66.89 2aiv h THR 53 CO 0.00 0.04 -0.74 -0.24 -0.01 0.00 0.00 175.52 174.57 2aiv n SER 54 N -4.49 1.74 -0.36 0.00 2.88 -1.12 -4.95 113.62 107.31 2aiv n SER 54 Ca 0.27 -2.92 -0.03 0.00 -1.33 0.00 0.00 58.87 54.87 2aiv n SER 54 Cb 1.09 -0.67 0.10 0.00 -0.75 0.00 0.00 64.21 63.97 2aiv n SER 54 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2aiv h LEU 55 N 5.29 1.12 -9.16 2.46 3.38 -1.73 -2.53 115.31 114.14 2aiv h LEU 55 Ca 0.19 -0.04 -0.59 0.00 0.09 0.00 0.00 57.88 57.53 2aiv h LEU 55 Cb 0.80 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 2aiv h LEU 55 CO 0.60 0.82 0.13 -0.83 0.09 0.00 0.00 178.44 179.25 2aiv s GLY 56 N -3.11 2.13 0.00 0.83 0.00 -1.25 0.86 107.32 106.78 2aiv s GLY 56 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.39 2aiv s GLY 56 CO 0.82 1.31 0.00 0.61 0.00 0.00 0.00 173.10 175.83 2aiv n GLY 57 N 3.67 0.82 0.36 0.20 0.00 -1.24 -4.59 105.19 104.41 2aiv n GLY 57 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 2aiv n GLY 57 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2aiv h VAL 58 N 0.00 1.26 0.00 1.61 -1.51 -1.83 -3.39 116.25 112.39 2aiv h VAL 58 Ca 0.00 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2aiv h VAL 58 Cb 0.00 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 2aiv h VAL 58 CO 0.00 0.28 0.00 -0.38 -1.23 0.00 0.00 177.57 176.24 2aiv n ILE 59 N -4.35 0.00 -4.39 7.19 2.08 -0.95 -5.02 119.36 113.92 2aiv n ILE 59 Ca 0.10 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.19 2aiv n ILE 59 Cb 0.08 -0.49 -0.16 0.00 -0.75 0.00 0.00 39.64 38.32 2aiv n ILE 59 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2aiv s ILE 60 N 0.00 0.85 -0.10 1.39 -1.09 0.25 -5.01 121.20 117.48 2aiv s ILE 60 Ca 0.00 -0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 2aiv s ILE 60 Cb 0.00 -0.80 0.00 0.00 -1.58 0.00 0.00 42.46 40.08 2aiv s ILE 60 CO 0.00 0.29 -0.24 -0.89 -1.23 0.00 0.00 174.94 172.87 2aiv s THR 61 N 0.74 2.06 -0.16 2.92 2.01 -1.18 -3.60 115.64 118.43 2aiv s THR 61 Ca -0.13 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 60.81 2aiv s THR 61 Cb -0.15 -1.78 0.06 0.00 0.01 0.00 0.00 72.50 70.64 2aiv s THR 61 CO 0.02 0.56 0.07 0.12 -0.69 0.00 0.00 174.62 174.70 2aiv s PHE 62 N 0.37 0.42 0.40 4.92 2.19 -1.26 -1.75 117.98 123.27 2aiv s PHE 62 Ca -0.18 -0.40 -0.24 0.00 0.33 0.00 0.00 56.93 56.44 2aiv s PHE 62 Cb -0.18 -0.77 -0.09 0.00 -1.31 0.00 0.00 43.02 40.68 2aiv s PHE 62 CO 0.08 -0.50 1.05 -1.21 1.83 0.00 0.00 175.22 176.48 2aiv s GLU 63 N 2.06 4.15 -0.44 10.12 2.02 0.34 -4.89 118.70 132.05 2aiv s GLU 63 Ca 0.02 1.52 -0.04 0.00 0.02 0.00 0.00 54.97 56.48 2aiv s GLU 63 Cb -0.16 -2.53 -0.10 0.00 0.10 0.00 0.00 34.13 31.44 2aiv s GLU 63 CO -0.08 -0.16 2.18 -0.35 0.02 0.00 0.00 175.26 176.87 2aiv n PRO 64 N -0.10 1.59 0.00 0.39 -0.04 -1.26 -1.90 135.00 133.67 2aiv n PRO 64 Ca 0.05 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 2aiv n PRO 64 Cb 0.50 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 2aiv n PRO 64 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2aiv n LYS 65 N 3.44 0.00 -3.92 0.54 4.81 -1.26 -5.01 118.16 116.76 2aiv n LYS 65 Ca 0.34 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.67 2aiv n LYS 65 Cb 0.33 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.25 2aiv n LYS 65 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2aiv s THR 66 N 0.00 0.05 -0.28 3.15 2.01 -0.80 -4.85 115.64 114.92 2aiv s THR 66 Ca 0.00 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 2aiv s THR 66 Cb 0.00 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.34 2aiv s THR 66 CO 0.00 -0.20 0.19 0.00 -0.69 0.00 0.00 174.62 173.91 2aiv s ILE 68 N 1.75 4.50 0.00 0.00 -1.09 -0.72 -4.91 121.20 120.73 2aiv s ILE 68 Ca 0.07 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 2aiv s ILE 68 Cb -0.16 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 2aiv s ILE 68 CO 0.11 0.32 0.00 0.00 -1.23 0.00 0.00 174.94 174.14 2aiv n ILE 69 N 4.94 0.00 -0.35 2.92 3.06 -1.26 -3.08 119.36 125.59 2aiv n ILE 69 Ca -0.16 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.06 2aiv n ILE 69 Cb 0.52 -0.49 0.10 0.00 0.54 0.00 0.00 39.64 40.30 2aiv n ILE 69 CO 0.00 0.00 0.00 0.22 -2.50 0.00 0.00 176.55 174.27 2aiv h TYR 70 N 0.00 1.21 -1.91 9.51 3.20 -1.92 -3.48 116.97 123.57 2aiv h TYR 70 Ca 0.00 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.93 2aiv h TYR 70 Cb 0.74 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2aiv h TYR 70 CO 0.00 0.78 -0.06 0.00 -1.64 0.00 0.00 178.16 177.24 2aiv n ALA 71 N -2.37 -0.49 0.28 1.82 0.00 -1.26 -3.62 120.51 114.87 2aiv n ALA 71 Ca 0.11 0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.77 2aiv n ALA 71 Cb 0.03 -0.16 0.68 0.00 0.00 0.00 0.00 19.45 20.00 2aiv n ALA 71 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2aiv h ASN 72 N -0.16 0.00 -0.88 0.00 -0.73 -2.01 -3.41 115.58 108.39 2aiv h ASN 72 Ca 0.00 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 57.85 2aiv h ASN 72 Cb 0.16 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.70 2aiv h ASN 72 CO 0.00 0.01 0.83 -0.22 -0.37 0.00 0.00 177.43 177.67 2aiv s LEU 73 N -6.20 3.19 0.00 0.34 0.20 -1.24 -4.87 118.68 110.10 2aiv s LEU 73 Ca 0.01 -0.58 -0.02 0.00 0.69 0.00 0.00 54.13 54.23 2aiv s LEU 73 Cb 0.09 -2.56 -0.08 0.00 -0.43 0.00 0.00 46.19 43.21 2aiv s LEU 73 CO 0.55 -2.66 1.62 -0.81 -0.29 0.00 0.00 176.35 174.75 2aiv n PRO 74 N 8.90 0.78 -2.34 0.98 -0.04 -1.26 -4.46 135.00 137.55 2aiv n PRO 74 Ca 0.38 -0.31 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 2aiv n PRO 74 Cb 0.48 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 2aiv n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 75 N 2.42 -5.92 -0.15 3.54 5.03 -1.26 -4.89 115.26 114.02 2aiv n ASN 75 Ca 0.13 0.02 -0.03 0.00 0.87 0.00 0.00 54.58 55.57 2aiv n ASN 75 Cb 0.37 -4.95 0.03 0.00 -1.02 0.00 0.00 39.78 34.21 2aiv n ASN 75 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 2aiv h ARG 76 N 0.00 0.00 -1.95 3.52 3.08 -1.96 -1.75 114.38 115.31 2aiv h ARG 76 Ca -0.49 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.47 2aiv h ARG 76 Cb 1.37 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.39 2aiv h ARG 76 CO 0.59 0.00 -0.03 -0.35 -1.07 0.00 0.00 179.97 179.11 2aiv n PRO 77 N -5.34 1.33 -0.37 0.04 -0.04 -1.26 -4.46 135.00 124.90 2aiv n PRO 77 Ca 0.04 -0.44 -0.02 0.00 -0.04 0.00 0.00 63.50 63.04 2aiv n PRO 77 Cb 0.25 -1.31 0.11 0.00 -0.04 0.00 0.00 33.50 32.51 2aiv n PRO 77 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2aiv h LYS 78 N 1.54 1.30 -0.97 0.54 3.64 -1.70 -2.19 116.57 118.72 2aiv h LYS 78 Ca 0.08 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2aiv h LYS 78 Cb 1.10 -0.29 -0.05 0.00 -0.41 0.00 0.00 32.23 32.58 2aiv h LYS 78 CO 0.15 0.86 0.61 -0.09 -2.27 0.00 0.00 179.45 178.70 2aiv h ARG 79 N 1.33 1.30 0.00 1.90 2.43 -1.87 -3.43 114.38 116.04 2aiv h ARG 79 Ca 0.36 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2aiv h ARG 79 Cb -0.15 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.12 2aiv h ARG 79 CO -0.08 0.89 0.00 0.41 -1.51 0.00 0.00 179.97 179.67 2aiv n GLY 80 N -1.30 -2.34 3.79 2.80 0.00 -0.82 -5.01 105.19 102.31 2aiv n GLY 80 Ca 0.11 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 2aiv n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aiv s GLU 81 N 0.00 3.25 0.11 1.61 2.02 -1.26 -5.10 118.70 119.33 2aiv s GLU 81 Ca 0.00 -0.25 -0.26 0.00 0.02 0.00 0.00 54.97 54.48 2aiv s GLU 81 Cb 0.00 -3.02 0.07 0.00 0.10 0.00 0.00 34.13 31.28 2aiv s GLU 81 CO 0.00 0.74 0.84 0.20 0.02 0.00 0.00 175.26 177.06 2aiv s GLY 82 N -0.96 -0.37 -0.39 -1.39 0.00 -1.20 -4.95 107.32 98.06 2aiv s GLY 82 Ca 0.14 0.47 -0.15 0.00 0.00 0.00 0.00 44.72 45.19 2aiv s GLY 82 CO 0.03 0.15 0.32 -0.26 0.00 0.00 0.00 173.10 173.34 2aiv s ILE 83 N -3.38 5.23 -0.21 0.90 -4.36 -1.07 -4.08 121.20 114.22 2aiv s ILE 83 Ca 0.07 -0.43 -0.05 0.00 -0.26 0.00 0.00 60.65 59.99 2aiv s ILE 83 Cb -0.02 -3.89 0.07 0.00 1.25 0.00 0.00 42.46 39.88 2aiv s ILE 83 CO -0.04 -0.24 0.10 0.20 0.24 0.00 0.00 174.94 175.20 2aiv s ASN 84 N 1.72 2.73 0.00 4.36 0.01 -1.26 -4.96 114.94 117.54 2aiv s ASN 84 Ca 0.07 -0.83 0.00 0.00 -0.71 0.00 0.00 52.86 51.40 2aiv s ASN 84 Cb -0.18 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.19 2aiv s ASN 84 CO 0.11 -0.38 0.00 1.33 -1.51 0.00 0.00 177.10 176.65 2aiv n VAL 85 N 5.26 0.00 -2.15 1.60 0.24 -1.26 -4.31 118.33 117.72 2aiv n VAL 85 Ca -0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.93 2aiv n VAL 85 Cb 0.47 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.79 2aiv n VAL 85 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2aiv s ARG 86 N -1.42 2.74 -0.02 7.34 3.52 -1.26 -3.74 118.95 126.11 2aiv s ARG 86 Ca 0.00 -0.98 0.08 0.00 -0.13 0.00 0.00 55.73 54.70 2aiv s ARG 86 Cb 0.00 -5.23 -0.02 0.00 -1.56 0.00 0.00 34.95 28.14 2aiv s ARG 86 CO 0.00 -3.51 -0.26 0.00 -0.81 0.00 0.00 175.30 170.73 2aiv s ALA 87 N 9.65 2.14 0.06 6.12 0.00 -1.26 -3.62 121.76 134.85 2aiv s ALA 87 Ca 0.66 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 51.59 2aiv s ALA 87 Cb -0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2aiv s ALA 87 CO 0.07 0.53 -0.23 -0.98 0.00 0.00 0.00 175.76 175.14 2aiv s ARG 88 N -0.62 1.45 -0.15 0.00 1.70 -0.87 -3.13 118.95 117.33 2aiv s ARG 88 Ca 0.10 -1.07 -0.03 0.00 -0.47 0.00 0.00 55.73 54.25 2aiv s ARG 88 Cb -0.10 -1.66 -0.03 0.00 -0.57 0.00 0.00 34.95 32.60 2aiv s ARG 88 CO -0.01 0.41 -0.05 0.42 -1.08 0.00 0.00 175.30 175.00 2aiv s ILE 89 N -0.89 3.79 -0.10 4.99 1.01 -0.89 -1.69 121.20 127.42 2aiv s ILE 89 Ca 0.09 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.39 2aiv s ILE 89 Cb -0.09 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.72 2aiv s ILE 89 CO 0.03 0.50 -0.24 -0.89 0.00 0.00 0.00 174.94 174.34 2aiv s THR 90 N 0.37 2.07 0.07 2.92 2.01 0.26 -1.59 115.64 121.74 2aiv s THR 90 Ca -0.05 -1.02 -0.06 0.00 0.31 0.00 0.00 61.69 60.88 2aiv s THR 90 Cb -0.14 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 2aiv s THR 90 CO 0.03 0.56 0.10 0.00 -0.69 0.00 0.00 174.62 174.62 2aiv s PHE 92 N -3.89 3.49 -0.37 0.00 -0.71 -1.24 0.11 117.98 115.37 2aiv s PHE 92 Ca 0.06 0.41 -0.15 0.00 -1.04 0.00 0.00 56.93 56.21 2aiv s PHE 92 Cb 0.06 -1.90 0.00 0.00 -1.21 0.00 0.00 43.02 39.98 2aiv s PHE 92 CO -0.11 0.44 0.31 -0.80 -1.34 0.00 0.00 175.22 173.73 2aiv s ASN 93 N -2.73 6.12 -0.35 1.98 0.01 0.28 -4.82 114.94 115.43 2aiv s ASN 93 Ca 0.39 -0.56 -0.10 0.00 -0.71 0.00 0.00 52.86 51.88 2aiv s ASN 93 Cb -0.12 -2.17 0.02 0.00 0.41 0.00 0.00 41.25 39.39 2aiv s ASN 93 CO 0.27 -0.37 0.18 0.00 -1.51 0.00 0.00 177.10 175.67 2aiv s TYR 95 N 1.56 1.71 0.50 0.00 5.04 -1.26 -4.96 117.35 119.93 2aiv s TYR 95 Ca 0.03 0.78 0.03 0.00 -2.44 0.00 0.00 57.07 55.46 2aiv s TYR 95 Cb -0.18 -4.01 0.03 0.00 0.35 0.00 0.00 41.96 38.14 2aiv s TYR 95 CO 0.06 -1.94 0.21 -0.35 -1.34 0.00 0.00 175.55 172.20 2aiv n PRO 96 N 8.96 0.78 -1.76 4.97 -0.04 -1.26 -4.94 135.00 141.71 2aiv n PRO 96 Ca 0.34 -3.32 -0.41 0.00 -0.04 0.00 0.00 63.50 60.06 2aiv n PRO 96 Cb 0.49 0.60 -0.00 0.00 -0.04 0.00 0.00 33.50 34.55 2aiv n PRO 96 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2aiv n VAL 97 N -1.48 2.03 -2.50 0.52 0.31 -1.26 -4.37 118.33 111.59 2aiv n VAL 97 Ca -0.10 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.30 2aiv n VAL 97 Cb 0.59 -1.92 -0.02 0.00 -0.91 0.00 0.00 33.84 31.59 2aiv n VAL 97 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2aiv s ASP 98 N -0.17 6.51 0.39 4.52 3.68 0.21 -4.89 116.67 126.92 2aiv s ASP 98 Ca 0.54 0.61 0.18 0.00 2.13 0.00 0.00 52.55 56.01 2aiv s ASP 98 Cb -0.49 -2.55 0.78 0.00 -1.45 0.00 0.00 42.92 39.22 2aiv s ASP 98 CO 0.63 -1.33 1.80 0.50 0.13 0.00 0.00 175.17 176.90 2aiv h LYS 99 N 9.86 0.00 -0.98 4.34 3.64 -1.87 0.27 116.57 131.82 2aiv h LYS 99 Ca -0.25 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.14 2aiv h LYS 99 Cb 1.08 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 2aiv h LYS 99 CO 1.11 0.36 0.65 0.77 -2.27 0.00 0.00 179.45 180.07 2aiv h SER 100 N 0.00 1.12 0.00 4.20 0.02 -1.91 -3.19 113.55 113.79 2aiv h SER 100 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2aiv h SER 100 Cb 0.78 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2aiv h SER 100 CO 0.05 0.81 0.00 0.35 -1.14 0.00 0.00 176.83 176.90 2aiv n THR 101 N -4.39 0.66 0.00 -2.27 -2.24 -1.21 -4.97 114.28 99.86 2aiv n THR 101 Ca 0.12 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2aiv n THR 101 Cb 0.01 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2aiv n THR 101 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2aiv n ARG 102 N -0.33 0.00 -1.78 -0.78 0.63 0.92 -4.94 116.66 110.37 2aiv n ARG 102 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 2aiv n ARG 102 Cb 0.27 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.32 2aiv n ARG 102 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2aiv s LYS 103 N 0.00 4.07 0.54 -0.14 2.36 -1.10 -4.51 119.74 120.97 2aiv s LYS 103 Ca 0.00 2.59 0.04 0.00 -2.55 0.00 0.00 55.97 56.05 2aiv s LYS 103 Cb 0.00 -2.95 0.03 0.00 -1.05 0.00 0.00 37.83 33.86 2aiv s LYS 103 CO 0.00 -0.57 0.28 -1.25 1.55 0.00 0.00 175.35 175.37 2aiv s PRO 104 N -2.13 2.24 -0.18 4.03 0.04 -1.26 0.68 135.00 138.41 2aiv s PRO 104 Ca 0.53 -2.15 0.01 0.00 0.04 0.00 0.00 61.00 59.43 2aiv s PRO 104 Cb -0.47 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.17 2aiv s PRO 104 CO 0.63 -0.56 -0.19 0.42 0.04 0.00 0.00 177.00 177.35 2aiv s ILE 105 N -2.81 2.13 -0.19 0.56 1.01 -1.26 -4.78 121.20 115.85 2aiv s ILE 105 Ca 0.24 -0.92 0.17 0.00 0.00 0.00 0.00 60.65 60.14 2aiv s ILE 105 Cb -0.01 -1.90 0.48 0.00 0.01 0.00 0.00 42.46 41.04 2aiv s ILE 105 CO 0.15 0.53 1.37 0.29 0.00 0.00 0.00 174.94 177.28 2aiv n LYS 106 N 4.63 2.65 -3.86 2.79 4.76 -1.26 -4.88 118.16 122.99 2aiv n LYS 106 Ca -0.21 -2.77 -0.09 0.00 -2.87 0.00 0.00 58.31 52.37 2aiv n LYS 106 Cb 0.50 -1.77 -0.07 0.00 -1.84 0.00 0.00 35.03 31.85 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2aiv s ASP 107 N -2.06 0.12 -0.70 4.39 1.11 -1.26 -5.05 116.67 113.21 2aiv s ASP 107 Ca 0.40 -0.65 -0.07 0.00 0.18 0.00 0.00 52.55 52.41 2aiv s ASP 107 Cb 0.32 0.34 -0.14 0.00 1.07 0.00 0.00 42.92 44.52 2aiv s ASP 107 CO 0.08 -0.73 3.20 -0.81 1.18 0.00 0.00 175.17 178.09 2aiv n PRO 108 N -0.06 2.83 -5.15 8.23 -0.04 -1.26 -4.85 135.00 134.69 2aiv n PRO 108 Ca -0.15 -1.77 -0.32 0.00 -0.04 0.00 0.00 63.50 61.22 2aiv n PRO 108 Cb 0.62 -2.33 -0.17 0.00 -0.04 0.00 0.00 33.50 31.58 2aiv n PRO 108 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2aiv s ASN 109 N 1.71 3.08 -0.69 3.54 0.02 -1.26 -5.03 114.94 116.32 2aiv s ASN 109 Ca 0.66 -0.56 -0.21 0.00 -1.02 0.00 0.00 52.86 51.72 2aiv s ASN 109 Cb 0.27 -1.41 -0.17 0.00 0.02 0.00 0.00 41.25 39.96 2aiv s ASN 109 CO -0.06 0.15 1.89 0.00 0.02 0.00 0.00 177.10 179.11 2aiv n HIS 110 N 3.58 1.60 -0.37 2.20 1.44 -1.26 -4.65 115.22 117.76 2aiv n HIS 110 Ca -0.19 -1.66 -0.02 0.00 -2.01 0.00 0.00 57.72 53.84 2aiv n HIS 110 Cb 0.53 -1.58 0.11 0.00 0.12 0.00 0.00 29.99 29.16 2aiv n HIS 110 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 2aiv h GLN 111 N 8.00 1.31 0.00 -1.40 4.20 -1.95 -3.27 115.11 122.00 2aiv h GLN 111 Ca 0.40 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2aiv h GLN 111 Cb 0.62 -0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2aiv h GLN 111 CO 1.92 0.88 -0.20 1.47 -0.67 0.00 0.00 178.83 182.23 2aiv n LEU 112 N -4.38 0.95 -0.13 1.46 -0.00 -1.26 -4.81 117.00 108.83 2aiv n LEU 112 Ca 0.12 -1.58 -0.12 0.00 -0.00 0.00 0.00 56.01 54.43 2aiv n LEU 112 Cb 0.02 -0.13 -0.02 0.00 -0.00 0.00 0.00 43.42 43.29 2aiv n LEU 112 CO 0.37 0.38 0.67 0.58 -0.00 0.00 0.00 177.39 179.39 2aiv h VAL 113 N 3.37 1.28 -0.61 1.47 2.07 -1.91 -2.80 116.25 119.13 2aiv h VAL 113 Ca 0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2aiv h VAL 113 Cb 1.10 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2aiv h VAL 113 CO 0.00 0.43 0.39 0.50 0.02 0.00 0.00 177.57 178.91 2aiv h LYS 114 N 0.57 0.81 -0.90 1.57 3.64 -1.88 -2.62 116.57 117.77 2aiv h LYS 114 Ca 0.09 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2aiv h LYS 114 Cb 0.71 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 2aiv h LYS 114 CO 0.05 0.56 0.50 0.00 -2.27 0.00 0.00 179.45 178.29 2aiv h ARG 115 N 0.83 1.25 -0.39 1.90 3.08 -1.89 -0.55 114.38 118.61 2aiv h ARG 115 Ca 0.22 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.14 2aiv h ARG 115 Cb -0.07 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.71 2aiv h ARG 115 CO -0.05 0.91 0.25 1.25 -1.07 0.00 0.00 179.97 181.27 2aiv h HIS 116 N 1.26 0.48 -0.35 3.04 2.76 -1.20 -0.24 115.15 120.89 2aiv h HIS 116 Ca 0.32 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.35 2aiv h HIS 116 Cb 0.01 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2aiv h HIS 116 CO 0.01 0.30 -0.37 0.82 -1.30 0.00 0.00 177.93 177.39 2aiv h ILE 117 N 0.52 1.28 -0.88 6.26 1.08 -1.25 -2.83 117.51 121.68 2aiv h ILE 117 Ca 0.14 -1.54 -0.03 0.00 -0.39 0.00 0.00 64.86 63.05 2aiv h ILE 117 Cb -0.05 1.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 2aiv h ILE 117 CO -0.03 0.51 0.45 -0.33 -0.69 0.00 0.00 178.15 178.05 2aiv h GLU 118 N 0.68 1.25 -0.67 2.37 5.08 -0.87 -2.51 114.58 119.91 2aiv h GLU 118 Ca 0.05 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2aiv h GLU 118 Cb 0.96 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2aiv h GLU 118 CO 0.09 0.94 0.11 0.07 -1.00 0.00 0.00 179.01 179.22 2aiv h ARG 119 N 1.24 1.11 -0.94 2.33 0.11 -1.02 -2.86 114.38 114.35 2aiv h ARG 119 Ca 0.30 -0.30 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2aiv h ARG 119 Cb 0.08 -0.13 -0.05 0.00 1.11 0.00 0.00 29.97 30.99 2aiv h ARG 119 CO -0.04 1.01 0.59 -0.07 0.10 0.00 0.00 179.97 181.56 2aiv h LEU 120 N 1.03 1.11 -0.83 0.08 3.38 -1.22 -2.31 115.31 116.55 2aiv h LEU 120 Ca 0.20 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2aiv h LEU 120 Cb 0.44 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2aiv h LEU 120 CO 0.01 0.83 0.51 0.50 0.09 0.00 0.00 178.44 180.39 2aiv h LYS 121 N 1.29 1.13 -0.89 1.13 3.64 -1.24 -2.29 116.57 119.33 2aiv h LYS 121 Ca 0.34 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2aiv h LYS 121 Cb -0.09 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.44 2aiv h LYS 121 CO -0.07 0.78 0.48 0.87 -2.27 0.00 0.00 179.45 179.24 2aiv h LYS 122 N 1.14 1.25 -5.83 1.90 1.79 -1.25 -3.39 116.57 112.18 2aiv h LYS 122 Ca 0.30 -0.15 -0.44 0.00 -2.18 0.00 0.00 60.65 58.17 2aiv h LYS 122 Cb -0.06 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.32 2aiv h LYS 122 CO -0.06 0.92 1.29 -0.80 -1.08 0.00 0.00 179.45 179.72 2aiv s ASN 123 N -6.24 4.98 -0.17 0.86 -0.87 -0.86 -4.84 114.94 107.79 2aiv s ASN 123 Ca -0.13 0.39 0.01 0.00 -1.57 0.00 0.00 52.86 51.56 2aiv s ASN 123 Cb 0.17 -2.53 0.23 0.00 -0.02 0.00 0.00 41.25 39.10 2aiv s ASN 123 CO 0.83 -2.62 1.41 -0.81 -2.57 0.00 0.00 177.10 173.34 2aiv n PRO 124 N 9.09 1.46 -0.06 -0.60 -0.04 -1.26 -3.74 135.00 139.86 2aiv n PRO 124 Ca 0.28 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 2aiv n PRO 124 Cb 0.52 -1.43 -0.16 0.00 -0.04 0.00 0.00 33.50 32.39 2aiv n PRO 124 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aiv n ASN 125 N -0.00 0.03 -4.17 3.54 2.85 -1.26 -4.84 115.26 111.41 2aiv n ASN 125 Ca 0.22 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.49 2aiv n ASN 125 Cb 0.88 1.49 -0.12 0.00 1.24 0.00 0.00 39.78 43.26 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2aiv s SER 126 N -5.00 1.74 -0.15 1.20 0.01 -1.25 -4.97 113.70 105.29 2aiv s SER 126 Ca -0.09 -0.57 -0.12 0.00 1.31 0.00 0.00 55.95 56.48 2aiv s SER 126 Cb 0.10 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 2aiv s SER 126 CO 0.86 -0.03 0.26 -0.54 0.41 0.00 0.00 173.24 174.20 2aiv s LYS 127 N -1.55 4.12 -0.13 12.44 -0.14 0.99 -4.96 119.74 130.50 2aiv s LYS 127 Ca -0.00 0.05 -0.29 0.00 -1.36 0.00 0.00 55.97 54.36 2aiv s LYS 127 Cb -0.09 -3.38 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 2aiv s LYS 127 CO 0.02 0.35 1.54 0.12 -0.76 0.00 0.00 175.35 176.63 2aiv s PHE 128 N 0.13 2.24 0.00 3.18 2.19 -1.26 0.37 117.98 124.83 2aiv s PHE 128 Ca 0.16 0.50 0.00 0.00 0.33 0.00 0.00 56.93 57.91 2aiv s PHE 128 Cb -0.13 -3.83 0.00 0.00 -1.31 0.00 0.00 43.02 37.75 2aiv s PHE 128 CO 0.04 -3.04 0.00 -1.91 1.83 0.00 0.00 175.22 172.13 2aiv n GLU 129 N 7.15 0.00 -3.74 10.12 0.00 -0.53 -4.79 120.64 128.84 2aiv n GLU 129 Ca 0.17 0.01 -0.13 0.00 0.00 0.00 0.00 57.16 57.20 2aiv n GLU 129 Cb 0.44 -0.26 -0.10 0.00 0.00 0.00 0.00 31.44 31.52 2aiv n GLU 129 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2aiv s SER 130 N -1.07 -0.39 -0.13 4.31 0.01 -0.77 -4.98 113.70 110.68 2aiv s SER 130 Ca 0.00 0.75 0.02 0.00 1.31 0.00 0.00 55.95 58.03 2aiv s SER 130 Cb 0.00 0.76 -0.00 0.00 0.21 0.00 0.00 66.02 66.99 2aiv s SER 130 CO 0.00 -0.13 -0.19 -0.47 0.41 0.00 0.00 173.24 172.86 2aiv s TYR 131 N 0.22 2.70 -0.26 2.43 6.14 -1.26 0.53 117.35 127.85 2aiv s TYR 131 Ca -0.00 -1.06 -0.05 0.00 0.64 0.00 0.00 57.07 56.61 2aiv s TYR 131 Cb -0.03 -1.82 0.01 0.00 0.42 0.00 0.00 41.96 40.54 2aiv s TYR 131 CO 0.00 -0.45 0.01 -0.51 0.64 0.00 0.00 175.55 175.24 2aiv s ASP 132 N 0.63 4.68 -0.02 4.32 -0.00 0.12 -4.98 116.67 121.43 2aiv s ASP 132 Ca -0.10 -0.62 -0.13 0.00 -0.00 0.00 0.00 52.55 51.70 2aiv s ASP 132 Cb -0.16 -1.79 -0.33 0.00 -0.00 0.00 0.00 42.92 40.64 2aiv s ASP 132 CO 0.03 -0.12 0.79 0.00 -0.00 0.00 0.00 175.17 175.87 2aiv h ALA 133 N 8.14 0.03 -0.86 5.23 0.00 -1.91 0.48 119.26 130.37 2aiv h ALA 133 Ca -0.35 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.51 2aiv h ALA 133 Cb 1.13 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2aiv h ALA 133 CO 0.59 0.89 0.46 -0.44 0.00 0.00 0.00 179.25 180.76 2aiv h ASP 134 N 0.11 1.08 0.00 0.00 3.45 -1.97 -3.17 116.42 115.93 2aiv h ASP 134 Ca -0.31 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.04 2aiv h ASP 134 Cb 2.12 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 40.62 2aiv h ASP 134 CO 0.21 0.88 -1.48 -1.54 -1.57 0.00 0.00 179.24 175.74 2aiv n SER 135 N -4.36 1.16 0.00 6.45 3.41 -1.26 -4.99 113.62 114.04 2aiv n SER 135 Ca 0.09 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2aiv n SER 135 Cb 0.10 1.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 2aiv n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aiv n GLY 136 N 1.53 0.93 3.73 5.00 0.00 0.16 -4.47 105.19 112.07 2aiv n GLY 136 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2aiv n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aiv s THR 137 N -3.71 3.44 -0.05 2.61 2.01 -1.08 0.99 115.64 119.85 2aiv s THR 137 Ca 0.00 1.12 0.07 0.00 0.31 0.00 0.00 61.69 63.19 2aiv s THR 137 Cb 0.00 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 2aiv s THR 137 CO 0.00 0.13 -0.25 -0.47 -0.69 0.00 0.00 174.62 173.34 2aiv s TYR 138 N 0.51 2.41 -0.10 4.92 6.14 0.30 0.16 117.35 131.68 2aiv s TYR 138 Ca 0.58 -0.66 0.04 0.00 0.64 0.00 0.00 57.07 57.68 2aiv s TYR 138 Cb -0.35 -1.57 0.00 0.00 0.42 0.00 0.00 41.96 40.46 2aiv s TYR 138 CO 0.34 -0.17 -0.24 0.08 0.64 0.00 0.00 175.55 176.20 2aiv s VAL 139 N -0.27 2.08 0.00 3.14 1.01 0.19 -1.74 120.40 124.80 2aiv s VAL 139 Ca -0.00 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.05 2aiv s VAL 139 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2aiv s VAL 139 CO 0.03 0.56 -0.26 -0.36 0.00 0.00 0.00 175.10 175.06 2aiv s PHE 140 N 0.36 2.32 -0.18 5.22 0.40 -0.62 -1.46 117.98 124.03 2aiv s PHE 140 Ca -0.18 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 55.73 2aiv s PHE 140 Cb -0.18 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.91 2aiv s PHE 140 CO 0.09 0.02 -0.20 0.42 0.70 0.00 0.00 175.22 176.24 2aiv s ILE 141 N -0.68 2.06 -0.34 0.64 -1.09 0.16 -2.09 121.20 119.85 2aiv s ILE 141 Ca 0.11 -0.94 -0.00 0.00 -2.23 0.00 0.00 60.65 57.58 2aiv s ILE 141 Cb -0.10 -1.86 0.13 0.00 -1.58 0.00 0.00 42.46 39.06 2aiv s ILE 141 CO 0.00 0.54 0.22 -0.69 -1.23 0.00 0.00 174.94 173.78 2aiv s VAL 142 N 1.28 0.03 -0.42 2.92 1.01 -1.18 -0.01 120.40 124.03 2aiv s VAL 142 Ca 0.05 -1.42 -0.17 0.00 0.00 0.00 0.00 61.98 60.44 2aiv s VAL 142 Cb -0.13 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2aiv s VAL 142 CO -0.13 -0.88 0.44 0.21 0.00 0.00 0.00 175.10 174.74 2aiv s ASN 143 N 1.34 6.20 0.24 3.32 3.84 -1.26 -4.15 114.94 124.47 2aiv s ASN 143 Ca 0.16 -0.67 -0.07 0.00 0.21 0.00 0.00 52.86 52.50 2aiv s ASN 143 Cb -0.21 -2.23 0.24 0.00 -0.55 0.00 0.00 41.25 38.50 2aiv s ASN 143 CO -0.07 -0.59 1.92 -0.74 -2.79 0.00 0.00 177.10 174.82 2aiv h HIS 144 N 8.73 1.21 -0.91 0.43 -0.00 -1.83 -2.44 115.15 120.35 2aiv h HIS 144 Ca -0.26 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.11 2aiv h HIS 144 Cb 1.11 -0.41 -0.04 0.00 -0.00 0.00 0.00 27.41 28.07 2aiv h HIS 144 CO 0.62 0.77 0.50 0.00 -0.00 0.00 0.00 177.93 179.82 2aiv h ALA 145 N 1.35 1.16 -0.93 5.26 0.00 -1.85 -2.62 119.26 121.62 2aiv h ALA 145 Ca 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2aiv h ALA 145 Cb -0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.24 2aiv h ALA 145 CO -0.07 0.67 0.56 0.00 0.00 0.00 0.00 179.25 180.40 2aiv h ALA 146 N 1.27 1.19 -5.87 0.00 0.00 -1.84 -3.46 119.26 110.55 2aiv h ALA 146 Ca 0.32 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 54.72 2aiv h ALA 146 Cb 0.03 -0.37 0.13 0.00 0.00 0.00 0.00 17.79 17.57 2aiv h ALA 146 CO -0.05 0.65 -0.68 0.39 0.00 0.00 0.00 179.25 179.55 2aiv n GLU 147 N -4.36 -7.80 -3.14 0.00 1.02 -0.99 -4.95 120.64 100.42 2aiv n GLU 147 Ca 0.10 0.81 -0.40 0.00 -0.02 0.00 0.00 57.16 57.65 2aiv n GLU 147 Cb 0.06 -5.86 -0.07 0.00 -0.02 0.00 0.00 31.44 25.55 2aiv n GLU 147 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2aiv s GLN 148 N -6.34 4.10 0.00 3.49 -0.21 -1.26 -5.15 119.66 114.30 2aiv s GLN 148 Ca 0.59 0.50 0.13 0.00 0.02 0.00 0.00 55.36 56.60 2aiv s GLN 148 Cb -0.26 -3.65 0.10 0.00 1.00 0.00 0.00 33.01 30.20 2aiv s GLN 148 CO 0.73 -0.40 0.90 2.41 -2.12 0.00 0.00 175.29 176.82