#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 0.82 -0.82 1.61 -0.04 -1.26 -5.04 135.00 130.27 2aiv n PRO 2 Ca 0.00 -3.50 0.08 0.00 -0.04 0.00 0.00 63.50 60.04 2aiv n PRO 2 Cb 0.00 0.88 0.39 0.00 -0.04 0.00 0.00 33.50 34.73 2aiv n PRO 2 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 3 N -1.35 5.47 -0.37 3.54 5.03 -1.26 -4.48 115.26 121.85 2aiv n ASN 3 Ca -0.18 -2.79 -0.03 0.00 0.87 0.00 0.00 54.58 52.45 2aiv n ASN 3 Cb 0.61 -0.66 0.10 0.00 -1.02 0.00 0.00 39.78 38.82 2aiv n ASN 3 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2aiv h GLU 4 N 4.05 1.31 -0.30 3.52 5.08 -2.02 -2.50 114.58 123.72 2aiv h GLU 4 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2aiv h GLU 4 Cb 1.83 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2aiv h GLU 4 CO 0.42 0.89 0.00 0.09 -1.00 0.00 0.00 179.01 179.41 2aiv n ASN 5 N -4.36 3.76 -4.59 1.42 3.02 -1.26 -4.96 115.26 108.28 2aiv n ASN 5 Ca 0.11 -2.76 -0.38 0.00 -0.03 0.00 0.00 54.58 51.53 2aiv n ASN 5 Cb 0.04 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.62 2aiv n ASN 5 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2aiv s TYR 6 N -2.37 3.23 0.03 3.10 6.14 -0.94 -2.30 117.35 124.24 2aiv s TYR 6 Ca 0.38 0.09 -0.02 0.00 0.64 0.00 0.00 57.07 58.17 2aiv s TYR 6 Cb 0.29 -2.34 -0.02 0.00 0.42 0.00 0.00 41.96 40.31 2aiv s TYR 6 CO 0.11 -0.13 0.00 1.52 0.64 0.00 0.00 175.55 177.70 2aiv s TYR 7 N 1.58 0.31 -0.04 4.97 -0.85 -1.12 -4.95 117.35 117.26 2aiv s TYR 7 Ca 0.07 -0.66 0.02 0.00 -0.52 0.00 0.00 57.07 55.98 2aiv s TYR 7 Cb -0.15 -0.23 0.01 0.00 0.38 0.00 0.00 41.96 41.96 2aiv s TYR 7 CO 0.09 -0.28 -0.10 0.42 -1.52 0.00 0.00 175.55 174.15 2aiv s ILE 8 N -2.39 0.94 -1.25 -3.49 1.09 -1.24 -3.39 121.20 111.47 2aiv s ILE 8 Ca -0.07 -0.40 -0.07 0.00 -1.10 0.00 0.00 60.65 59.01 2aiv s ILE 8 Cb -0.03 -0.85 0.18 0.00 -1.06 0.00 0.00 42.46 40.70 2aiv s ILE 8 CO -0.04 0.30 1.98 -0.24 -0.10 0.00 0.00 174.94 176.84 2aiv n SER 9 N 3.59 6.35 -4.57 3.58 2.88 0.99 -1.44 113.62 125.00 2aiv n SER 9 Ca -0.21 -3.20 -0.30 0.00 -1.33 0.00 0.00 58.87 53.83 2aiv n SER 9 Cb 0.53 -1.39 -0.05 0.00 -0.75 0.00 0.00 64.21 62.54 2aiv n SER 9 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2aiv n PRO 10 N 2.58 0.81 -0.97 -1.46 -0.04 -1.26 -3.13 135.00 131.53 2aiv n PRO 10 Ca 0.45 -3.46 -0.36 0.00 -0.04 0.00 0.00 63.50 60.10 2aiv n PRO 10 Cb 0.31 0.82 0.05 0.00 -0.04 0.00 0.00 33.50 34.64 2aiv n PRO 10 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2aiv n SER 11 N -1.41 -4.97 -0.37 3.54 7.64 -0.52 -4.44 113.62 113.10 2aiv n SER 11 Ca -0.16 0.16 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2aiv n SER 11 Cb 0.61 -0.78 0.11 0.00 -1.01 0.00 0.00 64.21 63.14 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2aiv h LEU 12 N -1.10 1.12 -0.50 -3.43 3.38 -1.97 -1.09 115.31 111.73 2aiv h LEU 12 Ca -0.43 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 2aiv h LEU 12 Cb 1.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2aiv h LEU 12 CO 0.25 0.81 -0.11 0.44 0.09 0.00 0.00 178.44 179.91 2aiv h ASP 13 N 1.32 0.96 -0.98 -0.43 3.32 -1.98 -2.86 116.42 115.77 2aiv h ASP 13 Ca 0.36 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2aiv h ASP 13 Cb -0.14 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.10 2aiv h ASP 13 CO -0.08 1.09 0.64 0.74 -1.72 0.00 0.00 179.24 179.91 2aiv h THR 14 N 0.81 1.25 -0.92 0.35 2.02 -1.68 -2.22 112.91 112.52 2aiv h THR 14 Ca 0.13 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 2aiv h THR 14 Cb 0.67 -0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 2aiv h THR 14 CO 0.05 0.25 0.55 0.25 0.37 0.00 0.00 175.52 176.99 2aiv h LEU 15 N 1.33 1.11 -0.05 2.58 6.46 -1.06 -0.91 115.31 124.76 2aiv h LEU 15 Ca 0.36 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2aiv h LEU 15 Cb -0.14 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.51 2aiv h LEU 15 CO -0.07 0.86 0.00 -1.20 -0.62 0.00 0.00 178.44 177.40 2aiv n SER 16 N -4.37 0.07 0.00 1.25 7.64 -0.87 -2.89 113.62 114.45 2aiv n SER 16 Ca 0.10 0.51 0.10 0.00 1.01 0.00 0.00 58.87 60.60 2aiv n SER 16 Cb 0.06 -0.53 0.51 0.00 -1.01 0.00 0.00 64.21 63.25 2aiv n SER 16 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2aiv n SER 17 N -1.57 0.00 0.00 6.43 2.88 -0.35 -4.18 113.62 116.83 2aiv n SER 17 Ca 0.04 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2aiv n SER 17 Cb 0.22 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2aiv n SER 17 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2aiv n TYR 18 N -1.33 0.00 -3.77 0.66 4.01 -1.14 -5.12 117.16 110.47 2aiv n TYR 18 Ca 0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.81 2aiv n TYR 18 Cb 0.18 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2aiv n TYR 18 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2aiv s SER 19 N -1.43 -0.09 0.09 7.72 1.04 -1.26 -4.98 113.70 114.79 2aiv s SER 19 Ca 0.00 -0.39 -0.22 0.00 0.48 0.00 0.00 55.95 55.81 2aiv s SER 19 Cb 0.00 0.39 -0.14 0.00 0.10 0.00 0.00 66.02 66.37 2aiv s SER 19 CO 0.00 -0.74 1.73 0.25 0.98 0.00 0.00 173.24 175.47 2aiv h LEU 20 N 2.00 0.04 -0.64 2.42 5.85 -1.96 0.11 115.31 123.13 2aiv h LEU 20 Ca -0.26 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 2aiv h LEU 20 Cb 1.22 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 2aiv h LEU 20 CO 0.29 0.04 0.11 0.25 -0.34 0.00 0.00 178.44 178.80 2aiv h LEU 21 N 0.03 1.01 -1.18 2.25 6.46 -1.99 -2.71 115.31 119.19 2aiv h LEU 21 Ca 0.01 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 2aiv h LEU 21 Cb 0.01 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.64 2aiv h LEU 21 CO -0.00 1.01 0.35 1.56 -0.62 0.00 0.00 178.44 180.73 2aiv h GLN 22 N 0.97 0.91 -0.97 1.25 1.08 -1.79 0.11 115.11 116.67 2aiv h GLN 22 Ca 0.20 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2aiv h GLN 22 Cb 0.42 -0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 27.62 2aiv h GLN 22 CO 0.01 0.68 0.60 -0.07 -0.95 0.00 0.00 178.83 179.10 2aiv h LEU 23 N 0.92 1.15 0.00 1.46 3.38 -0.46 -1.30 115.31 120.45 2aiv h LEU 23 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2aiv h LEU 23 Cb 0.05 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2aiv h LEU 23 CO -0.04 0.86 -0.33 0.54 0.09 0.00 0.00 178.44 179.57 2aiv n ARG 24 N -4.36 0.01 -2.72 1.13 1.74 -0.82 -3.61 116.66 108.03 2aiv n ARG 24 Ca 0.11 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.98 2aiv n ARG 24 Cb 0.04 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 29.97 2aiv n ARG 24 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2aiv n LYS 25 N -1.52 2.57 -2.08 5.56 4.81 0.32 -2.10 118.16 125.72 2aiv n LYS 25 Ca 0.06 -4.17 -0.33 0.00 -0.87 0.00 0.00 58.31 52.99 2aiv n LYS 25 Cb 0.34 -1.96 -0.04 0.00 0.02 0.00 0.00 35.03 33.40 2aiv n LYS 25 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2aiv s VAL 26 N -4.36 3.43 0.00 3.15 0.11 -0.73 -4.77 120.40 117.22 2aiv s VAL 26 Ca 0.43 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 2aiv s VAL 26 Cb 0.38 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 2aiv s VAL 26 CO -0.11 -0.99 0.41 -0.81 -3.33 0.00 0.00 175.10 170.26 2aiv n PRO 27 N 9.04 0.00 -3.14 1.54 -0.04 -1.26 -4.29 135.00 136.85 2aiv n PRO 27 Ca 0.29 0.19 -0.45 0.00 -0.04 0.00 0.00 63.50 63.50 2aiv n PRO 27 Cb 0.50 -0.91 -0.05 0.00 -0.04 0.00 0.00 33.50 33.00 2aiv n PRO 27 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2aiv s HIS 28 N -0.82 3.03 -0.11 0.54 5.65 -1.26 -4.08 115.29 118.24 2aiv s HIS 28 Ca 0.00 -0.96 0.03 0.00 0.25 0.00 0.00 55.06 54.38 2aiv s HIS 28 Cb 0.00 -3.95 0.01 0.00 -1.18 0.00 0.00 32.58 27.45 2aiv s HIS 28 CO 0.00 -1.25 -0.21 -1.17 -0.65 0.00 0.00 174.74 171.46 2aiv s LEU 29 N 2.57 2.02 -0.18 8.88 2.96 -1.22 -4.42 118.68 129.29 2aiv s LEU 29 Ca 0.11 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2aiv s LEU 29 Cb -0.24 -1.34 0.02 0.00 0.50 0.00 0.00 46.19 45.12 2aiv s LEU 29 CO 0.06 0.10 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.31 2aiv s VAL 30 N 0.62 2.07 -0.06 1.68 1.01 -1.18 -2.21 120.40 122.32 2aiv s VAL 30 Ca -0.13 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2aiv s VAL 30 Cb -0.17 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.35 2aiv s VAL 30 CO 0.03 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 2aiv s VAL 31 N 1.28 0.97 -5.00 2.92 1.01 -1.10 -0.01 120.40 120.48 2aiv s VAL 31 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2aiv s VAL 31 Cb -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2aiv s VAL 31 CO -0.13 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2aiv n GLY 32 N 3.84 -1.56 3.28 4.51 0.00 -1.22 -3.40 105.19 110.65 2aiv n GLY 32 Ca -0.23 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 2aiv n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aiv s HIS 33 N -2.42 2.42 0.24 1.61 3.76 -1.14 -2.77 115.29 116.99 2aiv s HIS 33 Ca 0.00 -0.65 -0.06 0.00 -0.15 0.00 0.00 55.06 54.19 2aiv s HIS 33 Cb 0.00 -1.58 0.24 0.00 1.11 0.00 0.00 32.58 32.35 2aiv s HIS 33 CO 0.00 -0.17 1.90 0.87 -0.85 0.00 0.00 174.74 176.49 2aiv h LYS 34 N 5.92 1.30 -0.84 1.40 1.57 -1.74 0.33 116.57 124.51 2aiv h LYS 34 Ca -0.35 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 2aiv h LYS 34 Cb 1.16 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 33.15 2aiv h LYS 34 CO 0.47 0.89 0.40 0.66 -0.57 0.00 0.00 179.45 181.30 2aiv h SER 35 N 1.32 1.10 0.00 0.86 4.64 -1.96 -3.38 113.55 116.14 2aiv h SER 35 Ca 0.35 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2aiv h SER 35 Cb -0.10 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.71 2aiv h SER 35 CO -0.07 0.93 0.00 -1.22 -0.87 0.00 0.00 176.83 175.60 2aiv n TYR 36 N -4.31 0.00 -3.62 4.77 4.01 -0.92 -4.96 117.16 112.11 2aiv n TYR 36 Ca 0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.77 2aiv n TYR 36 Cb 0.14 -0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 38.99 2aiv n TYR 36 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2aiv s GLY 37 N -1.74 -0.00 -0.12 2.72 0.00 0.11 -3.12 107.32 105.16 2aiv s GLY 37 Ca 0.00 2.67 -0.07 0.00 0.00 0.00 0.00 44.72 47.32 2aiv s GLY 37 CO 0.00 1.23 0.14 -1.59 0.00 0.00 0.00 173.10 172.88 2aiv s LYS 38 N -0.84 3.48 -0.01 2.90 -2.85 -1.09 -2.88 119.74 118.45 2aiv s LYS 38 Ca 0.05 -0.14 0.04 0.00 -1.00 0.00 0.00 55.97 54.93 2aiv s LYS 38 Cb -0.02 -3.20 -0.01 0.00 -2.06 0.00 0.00 37.83 32.54 2aiv s LYS 38 CO -0.06 0.75 -0.13 -1.50 0.10 0.00 0.00 175.35 174.51 2aiv s ILE 39 N -0.95 1.04 -0.13 3.79 2.07 -1.22 -2.04 121.20 123.77 2aiv s ILE 39 Ca 0.15 -0.56 0.02 0.00 -1.41 0.00 0.00 60.65 58.84 2aiv s ILE 39 Cb -0.12 -0.87 0.01 0.00 0.13 0.00 0.00 42.46 41.61 2aiv s ILE 39 CO 0.04 0.30 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.47 2aiv s GLU 40 N -0.31 2.69 -0.21 3.50 2.12 -1.01 -2.69 118.70 122.79 2aiv s GLU 40 Ca 0.05 -0.73 -0.05 0.00 0.36 0.00 0.00 54.97 54.60 2aiv s GLU 40 Cb -0.05 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 2aiv s GLU 40 CO -0.00 -0.04 -0.02 -0.06 -0.54 0.00 0.00 175.26 174.60 2aiv s PHE 41 N 0.91 3.00 -2.01 5.30 0.40 -0.94 -1.73 117.98 122.92 2aiv s PHE 41 Ca -0.06 -0.65 0.23 0.00 -0.60 0.00 0.00 56.93 55.85 2aiv s PHE 41 Cb -0.15 -2.10 0.65 0.00 0.51 0.00 0.00 43.02 41.94 2aiv s PHE 41 CO -0.02 -0.37 1.55 1.28 0.70 0.00 0.00 175.22 178.35 2aiv n LEU 42 N 4.49 3.98 0.00 -0.37 4.77 -0.73 -3.41 117.00 125.73 2aiv n LEU 42 Ca -0.17 -1.99 -0.18 0.00 -0.03 0.00 0.00 56.01 53.64 2aiv n LEU 42 Cb 0.51 -0.49 0.13 0.00 -2.33 0.00 0.00 43.42 41.24 2aiv n LEU 42 CO 0.30 0.99 0.52 -1.84 -1.33 0.00 0.00 177.39 176.04 2aiv n GLU 43 N 1.68 -0.92 -3.70 3.23 0.28 -1.22 -4.84 120.64 115.14 2aiv n GLU 43 Ca 0.25 -1.24 -0.35 0.00 -0.16 0.00 0.00 57.16 55.66 2aiv n GLU 43 Cb 0.63 -0.85 -0.08 0.00 1.43 0.00 0.00 31.44 32.57 2aiv n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2aiv s PRO 44 N -4.75 2.95 -0.87 3.44 0.04 -1.26 -4.31 135.00 130.24 2aiv s PRO 44 Ca 0.46 -3.09 -0.25 0.00 0.04 0.00 0.00 61.00 58.16 2aiv s PRO 44 Cb -0.01 -3.81 -0.07 0.00 0.04 0.00 0.00 34.50 30.65 2aiv s PRO 44 CO 0.32 -1.24 2.05 0.08 0.04 0.00 0.00 177.00 178.25 2aiv s VAL 45 N -1.02 3.35 -0.87 -0.36 1.01 -0.89 -4.63 120.40 116.98 2aiv s VAL 45 Ca 0.24 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 2aiv s VAL 45 Cb -0.10 -3.79 -0.17 0.00 0.00 0.00 0.00 36.38 32.32 2aiv s VAL 45 CO -0.10 -0.74 2.34 0.47 0.00 0.00 0.00 175.10 177.06 2aiv n ASP 46 N 14.97 1.67 -0.88 3.32 10.43 -1.03 -3.68 116.55 141.35 2aiv n ASP 46 Ca 0.41 -1.76 0.12 0.00 2.57 0.00 0.00 54.79 56.13 2aiv n ASP 46 Cb 0.46 -1.68 0.08 0.00 1.84 0.00 0.00 41.12 41.82 2aiv n ASP 46 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2aiv n LEU 47 N 19.11 2.84 -0.35 0.64 4.77 -1.24 -4.21 117.00 138.56 2aiv n LEU 47 Ca 0.45 -0.97 -0.03 0.00 -0.03 0.00 0.00 56.01 55.44 2aiv n LEU 47 Cb 0.44 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2aiv n LEU 47 CO 0.55 0.48 1.24 0.00 -1.33 0.00 0.00 177.39 178.34 2aiv h ALA 48 N 4.53 1.19 0.00 -1.18 0.00 -1.82 -3.26 119.26 118.72 2aiv h ALA 48 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2aiv h ALA 48 Cb 0.95 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2aiv h ALA 48 CO 0.00 0.62 -0.85 0.78 0.00 0.00 0.00 179.25 179.80 2aiv h GLY 49 N 1.28 0.00 -7.28 0.00 0.00 -1.97 -3.44 103.07 91.66 2aiv h GLY 49 Ca 0.34 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.33 2aiv h GLY 49 CO -0.07 0.00 0.88 -0.26 0.00 0.00 0.00 176.54 177.09 2aiv s ILE 50 N -2.29 3.44 0.00 2.60 -4.36 -1.23 -4.87 121.20 114.48 2aiv s ILE 50 Ca -0.24 -0.25 -0.02 0.00 -0.26 0.00 0.00 60.65 59.88 2aiv s ILE 50 Cb 0.03 -4.01 -0.10 0.00 1.25 0.00 0.00 42.46 39.64 2aiv s ILE 50 CO 0.56 -0.96 1.71 -0.81 0.24 0.00 0.00 174.94 175.68 2aiv n PRO 51 N 8.93 0.82 -0.37 0.37 -0.04 -1.26 -4.41 135.00 139.03 2aiv n PRO 51 Ca 0.36 -0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2aiv n PRO 51 Cb 0.48 -1.62 0.11 0.00 -0.04 0.00 0.00 33.50 32.43 2aiv n PRO 51 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2aiv h LEU 52 N 5.07 1.16 -0.65 1.53 3.38 -1.89 -2.88 115.31 121.02 2aiv h LEU 52 Ca 0.07 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.13 2aiv h LEU 52 Cb 0.65 -0.29 -0.12 0.00 0.09 0.00 0.00 40.66 40.99 2aiv h LEU 52 CO 0.29 0.85 -0.13 0.00 0.09 0.00 0.00 178.44 179.54 2aiv h THR 53 N 1.36 0.37 -0.88 0.22 1.03 -1.94 0.91 112.91 113.98 2aiv h THR 53 Ca 0.36 -0.01 -0.01 0.00 -0.01 0.00 0.00 66.41 66.74 2aiv h THR 53 Cb -0.14 0.35 -0.04 0.00 -1.07 0.00 0.00 68.15 67.25 2aiv h THR 53 CO -0.08 0.00 0.50 0.28 -0.01 0.00 0.00 175.52 176.22 2aiv h SER 54 N 0.02 1.08 -0.38 0.00 0.02 -1.89 -2.63 113.55 109.77 2aiv h SER 54 Ca 0.32 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 61.03 2aiv h SER 54 Cb 0.49 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2aiv h SER 54 CO -0.65 0.86 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.51 2aiv h LEU 55 N 1.22 0.96 0.00 5.07 3.38 -0.66 -3.47 115.31 121.81 2aiv h LEU 55 Ca 0.31 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2aiv h LEU 55 Cb -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2aiv h LEU 55 CO -0.05 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.28 2aiv n GLY 56 N 0.01 1.34 0.52 0.83 0.00 0.29 -4.76 105.19 103.43 2aiv n GLY 56 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2aiv n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aiv n GLY 57 N -0.23 0.49 0.34 -0.02 0.00 -0.70 -4.97 105.19 100.10 2aiv n GLY 57 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 2aiv n GLY 57 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2aiv h VAL 58 N 0.00 1.24 -0.75 1.61 2.07 -1.86 -2.52 116.25 116.04 2aiv h VAL 58 Ca 0.00 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 2aiv h VAL 58 Cb 0.51 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2aiv h VAL 58 CO 0.00 0.25 0.26 0.40 0.02 0.00 0.00 177.57 178.50 2aiv h ILE 59 N 1.19 1.26 -3.57 4.57 2.04 -1.95 -3.41 117.51 117.64 2aiv h ILE 59 Ca 0.31 -0.88 -0.62 0.00 1.00 0.00 0.00 64.86 64.68 2aiv h ILE 59 Cb -0.06 0.40 -0.13 0.00 -0.74 0.00 0.00 36.82 36.30 2aiv h ILE 59 CO -0.06 0.35 0.00 -0.63 0.00 0.00 0.00 178.15 177.81 2aiv s ILE 60 N -5.45 5.06 -0.01 -0.67 1.01 -0.95 -4.64 121.20 115.55 2aiv s ILE 60 Ca -0.12 0.91 0.05 0.00 0.00 0.00 0.00 60.65 61.48 2aiv s ILE 60 Cb 0.15 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 2aiv s ILE 60 CO 0.84 0.08 -0.16 -0.89 0.00 0.00 0.00 174.94 174.81 2aiv s THR 61 N 2.32 1.23 0.09 2.92 2.01 -1.03 -4.84 115.64 118.34 2aiv s THR 61 Ca 0.22 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.56 2aiv s THR 61 Cb -0.16 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 2aiv s THR 61 CO 0.09 0.35 -0.06 0.12 -0.69 0.00 0.00 174.62 174.43 2aiv s PHE 62 N -0.37 0.83 0.11 4.92 2.19 -1.26 -2.65 117.98 121.76 2aiv s PHE 62 Ca 0.06 -0.93 -0.05 0.00 0.33 0.00 0.00 56.93 56.34 2aiv s PHE 62 Cb -0.06 -0.50 0.02 0.00 -1.31 0.00 0.00 43.02 41.17 2aiv s PHE 62 CO -0.01 -0.18 0.25 0.39 1.83 0.00 0.00 175.22 177.50 2aiv n GLU 63 N -0.01 0.32 -3.42 10.12 1.02 0.10 -4.92 120.64 123.87 2aiv n GLU 63 Ca -0.12 -0.64 -0.43 0.00 -0.02 0.00 0.00 57.16 55.94 2aiv n GLU 63 Cb 0.61 0.81 -0.02 0.00 -0.02 0.00 0.00 31.44 32.81 2aiv n GLU 63 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2aiv s PRO 64 N -2.03 3.82 0.00 3.49 0.04 -1.26 -3.84 135.00 135.22 2aiv s PRO 64 Ca 0.05 -3.05 0.00 0.00 0.04 0.00 0.00 61.00 58.05 2aiv s PRO 64 Cb -0.01 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2aiv s PRO 64 CO 0.03 -1.25 0.00 1.63 0.04 0.00 0.00 177.00 177.45 2aiv n LYS 65 N 2.92 0.00 -3.67 4.56 5.02 -1.26 -5.07 118.16 120.66 2aiv n LYS 65 Ca 0.20 0.15 -0.20 0.00 -2.02 0.00 0.00 58.31 56.44 2aiv n LYS 65 Cb 0.40 -1.21 -0.18 0.00 -0.02 0.00 0.00 35.03 34.02 2aiv n LYS 65 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aiv s THR 66 N -2.00 -0.11 -0.10 -0.18 2.01 -1.25 -5.14 115.64 108.87 2aiv s THR 66 Ca 0.00 0.43 0.04 0.00 0.31 0.00 0.00 61.69 62.47 2aiv s THR 66 Cb 0.00 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.36 2aiv s THR 66 CO 0.00 0.18 -0.24 0.00 -0.69 0.00 0.00 174.62 173.87 2aiv s ILE 68 N 0.33 2.45 0.00 0.00 -1.09 -1.08 -4.91 121.20 116.90 2aiv s ILE 68 Ca -0.19 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.43 2aiv s ILE 68 Cb -0.18 -2.06 0.00 0.00 -1.58 0.00 0.00 42.46 38.64 2aiv s ILE 68 CO 0.09 0.51 0.00 2.30 -1.23 0.00 0.00 174.94 176.60 2aiv n ILE 69 N 4.67 0.00 0.87 2.92 -5.35 -1.26 -2.47 119.36 118.74 2aiv n ILE 69 Ca -0.20 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.41 2aiv n ILE 69 Cb 0.50 0.00 0.54 0.00 -1.74 0.00 0.00 39.64 38.94 2aiv n ILE 69 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2aiv n TYR 70 N -1.17 0.33 -0.37 4.28 4.01 -1.26 -3.49 117.16 119.49 2aiv n TYR 70 Ca 0.00 0.10 -0.02 0.00 -0.16 0.00 0.00 57.90 57.82 2aiv n TYR 70 Cb 0.00 -0.66 0.11 0.00 -0.31 0.00 0.00 39.34 38.48 2aiv n TYR 70 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2aiv h ALA 71 N 2.83 1.26 0.00 -0.72 0.00 -1.93 -2.41 119.26 118.28 2aiv h ALA 71 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2aiv h ALA 71 Cb 0.59 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2aiv h ALA 71 CO 0.00 0.66 -0.88 0.09 0.00 0.00 0.00 179.25 179.12 2aiv n ASN 72 N -4.39 0.69 -4.56 0.00 5.03 -1.24 -4.83 115.26 105.96 2aiv n ASN 72 Ca 0.12 -0.48 -0.29 0.00 0.87 0.00 0.00 54.58 54.80 2aiv n ASN 72 Cb 0.01 0.72 -0.05 0.00 -1.02 0.00 0.00 39.78 39.45 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2aiv s LEU 73 N -3.35 3.20 -1.17 3.41 1.98 -0.91 -4.90 118.68 116.95 2aiv s LEU 73 Ca 0.07 -0.57 -0.06 0.00 -2.89 0.00 0.00 54.13 50.69 2aiv s LEU 73 Cb 0.16 -2.56 0.05 0.00 0.66 0.00 0.00 46.19 44.51 2aiv s LEU 73 CO 0.80 -2.64 2.62 -0.81 -1.89 0.00 0.00 176.35 174.42 2aiv n PRO 74 N 8.90 3.96 -3.35 0.98 -0.04 -1.26 -4.62 135.00 139.57 2aiv n PRO 74 Ca 0.37 -2.94 -0.23 0.00 -0.04 0.00 0.00 63.50 60.66 2aiv n PRO 74 Cb 0.48 -2.55 0.06 0.00 -0.04 0.00 0.00 33.50 31.45 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 1.94 -6.26 -4.56 3.54 3.02 -1.26 -4.89 115.26 106.79 2aiv n ASN 75 Ca 0.62 -0.43 -0.29 0.00 -0.03 0.00 0.00 54.58 54.45 2aiv n ASN 75 Cb 0.33 -4.99 -0.05 0.00 -0.61 0.00 0.00 39.78 34.47 2aiv n ASN 75 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2aiv s ARG 76 N -6.05 2.63 0.00 3.52 6.06 -1.26 -4.85 118.95 118.99 2aiv s ARG 76 Ca 0.46 -0.19 0.00 0.00 -2.50 0.00 0.00 55.73 53.50 2aiv s ARG 76 Cb -0.21 -4.96 0.00 0.00 0.06 0.00 0.00 34.95 29.84 2aiv s ARG 76 CO 0.57 -3.20 1.02 -0.35 -2.50 0.00 0.00 175.30 170.85 2aiv n PRO 77 N 8.92 1.00 -3.65 5.12 -0.04 -1.26 -4.80 135.00 140.28 2aiv n PRO 77 Ca 0.36 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.57 2aiv n PRO 77 Cb 0.48 -1.00 0.04 0.00 -0.04 0.00 0.00 33.50 32.98 2aiv n PRO 77 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2aiv n LYS 78 N 0.53 -2.62 -0.33 0.54 5.02 -1.26 -4.89 118.16 115.15 2aiv n LYS 78 Ca 0.00 0.56 -0.04 0.00 -2.02 0.00 0.00 58.31 56.80 2aiv n LYS 78 Cb 0.50 -4.71 0.08 0.00 -0.02 0.00 0.00 35.03 30.88 2aiv n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aiv h ARG 79 N -1.76 1.24 0.00 1.97 3.08 -1.97 -3.38 114.38 113.56 2aiv h ARG 79 Ca -0.64 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.25 2aiv h ARG 79 Cb 1.35 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2aiv h ARG 79 CO 0.51 0.92 -0.90 0.41 -1.07 0.00 0.00 179.97 179.85 2aiv n GLY 80 N -1.09 0.00 3.50 0.04 0.00 -1.26 -5.05 105.19 101.33 2aiv n GLY 80 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.90 2.56 -0.15 1.61 2.02 -1.26 -5.12 118.70 116.46 2aiv s GLU 81 Ca 0.00 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 2aiv s GLU 81 Cb 0.00 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 2aiv s GLU 81 CO 0.00 0.63 -0.05 0.20 0.02 0.00 0.00 175.26 176.06 2aiv s GLY 82 N -0.75 1.69 -0.28 -1.39 0.00 -1.26 -4.22 107.32 101.11 2aiv s GLY 82 Ca 0.12 -0.83 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 2aiv s GLY 82 CO 0.01 -0.10 0.19 -0.42 0.00 0.00 0.00 173.10 172.78 2aiv s ILE 83 N 0.34 5.31 -0.07 0.90 1.01 -1.26 -4.77 121.20 122.66 2aiv s ILE 83 Ca -0.05 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 2aiv s ILE 83 Cb -0.14 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2aiv s ILE 83 CO 0.03 0.24 0.27 0.20 0.00 0.00 0.00 174.94 175.68 2aiv s ASN 84 N 1.76 6.58 -0.44 3.58 0.01 -1.26 -5.00 114.94 120.17 2aiv s ASN 84 Ca 0.07 0.69 0.04 0.00 -0.71 0.00 0.00 52.86 52.95 2aiv s ASN 84 Cb -0.16 -2.16 0.56 0.00 0.41 0.00 0.00 41.25 39.90 2aiv s ASN 84 CO 0.11 0.35 1.77 1.33 -1.51 0.00 0.00 177.10 179.15 2aiv n VAL 85 N 2.01 3.08 -1.50 1.60 0.24 -1.26 -4.67 118.33 117.83 2aiv n VAL 85 Ca -0.17 -2.55 -0.40 0.00 -2.04 0.00 0.00 64.34 59.18 2aiv n VAL 85 Cb 0.54 -0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 32.26 2aiv n VAL 85 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2aiv n ARG 86 N -1.06 3.50 -3.89 7.34 1.74 -1.26 -3.03 116.66 119.99 2aiv n ARG 86 Ca 0.52 -2.43 -0.09 0.00 -0.77 0.00 0.00 57.85 55.09 2aiv n ARG 86 Cb 1.23 -2.94 -0.08 0.00 -1.02 0.00 0.00 32.46 29.65 2aiv n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aiv s ALA 87 N 2.24 -0.11 -0.08 7.54 0.00 -1.26 -1.78 121.76 128.31 2aiv s ALA 87 Ca 0.61 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 2aiv s ALA 87 Cb 0.17 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 2aiv s ALA 87 CO -0.07 -0.49 -0.02 1.03 0.00 0.00 0.00 175.76 176.21 2aiv s ARG 88 N -3.87 2.92 -0.25 0.00 0.52 -0.70 -3.78 118.95 113.78 2aiv s ARG 88 Ca 0.05 -0.45 -0.08 0.00 -0.52 0.00 0.00 55.73 54.73 2aiv s ARG 88 Cb 0.05 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 2aiv s ARG 88 CO -0.11 0.69 0.09 0.42 0.02 0.00 0.00 175.30 176.41 2aiv s ILE 89 N -0.85 4.50 -0.25 1.52 1.01 0.23 -2.41 121.20 124.95 2aiv s ILE 89 Ca 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 2aiv s ILE 89 Cb -0.11 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2aiv s ILE 89 CO 0.02 0.32 0.07 -0.89 0.00 0.00 0.00 174.94 174.46 2aiv s THR 90 N 1.63 4.30 0.27 2.92 2.01 -0.87 -1.63 115.64 124.27 2aiv s THR 90 Ca 0.06 -0.18 0.11 0.00 0.31 0.00 0.00 61.69 62.00 2aiv s THR 90 Cb -0.15 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 2aiv s THR 90 CO 0.05 0.34 -0.10 0.00 -0.69 0.00 0.00 174.62 174.22 2aiv n PHE 92 N -0.76 -2.32 -1.56 0.00 -1.74 -1.18 -4.19 117.46 105.71 2aiv n PHE 92 Ca -0.06 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.46 2aiv n PHE 92 Cb 0.60 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.56 2aiv n PHE 92 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2aiv n ASN 93 N -1.75 2.48 0.11 5.98 5.03 -1.26 -4.77 115.26 121.07 2aiv n ASN 93 Ca 0.00 -0.38 0.11 0.00 0.87 0.00 0.00 54.58 55.18 2aiv n ASN 93 Cb 0.00 -1.58 0.46 0.00 -1.02 0.00 0.00 39.78 37.65 2aiv n ASN 93 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2aiv s TYR 95 N -3.27 1.27 -0.36 0.00 6.14 -1.26 -4.84 117.35 115.03 2aiv s TYR 95 Ca 0.05 1.36 0.00 0.00 0.64 0.00 0.00 57.07 59.12 2aiv s TYR 95 Cb 0.09 -3.73 0.33 0.00 0.42 0.00 0.00 41.96 39.08 2aiv s TYR 95 CO 0.38 -2.34 1.86 -0.35 0.64 0.00 0.00 175.55 175.74 2aiv n PRO 96 N 9.04 1.94 -1.25 4.97 -0.04 -1.26 -5.02 135.00 143.38 2aiv n PRO 96 Ca 0.33 -1.97 0.14 0.00 -0.04 0.00 0.00 63.50 61.97 2aiv n PRO 96 Cb 0.53 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.19 -0.02 -3.08 0.52 0.31 -1.26 -4.58 118.33 110.03 2aiv n VAL 97 Ca 0.38 0.39 -0.43 0.00 -0.01 0.00 0.00 64.34 64.67 2aiv n VAL 97 Cb 0.83 -0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 32.93 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 -6.29 6.26 0.15 4.52 -1.08 -0.36 -4.92 116.67 114.95 2aiv s ASP 98 Ca 0.00 -0.72 -0.09 0.00 -0.52 0.00 0.00 52.55 51.22 2aiv s ASP 98 Cb 0.00 -2.33 -0.01 0.00 -1.46 0.00 0.00 42.92 39.13 2aiv s ASP 98 CO 0.00 -0.96 1.49 0.11 0.52 0.00 0.00 175.17 176.33 2aiv h LYS 99 N 9.06 0.88 -0.59 4.34 1.57 -1.86 1.21 116.57 131.18 2aiv h LYS 99 Ca -0.27 -0.47 0.05 0.00 -1.87 0.00 0.00 60.65 58.09 2aiv h LYS 99 Cb 1.09 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 2aiv h LYS 99 CO 0.99 1.11 0.39 0.77 -0.57 0.00 0.00 179.45 182.14 2aiv h SER 100 N 0.72 0.53 0.00 0.86 0.02 -1.98 -2.99 113.55 110.71 2aiv h SER 100 Ca 0.06 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2aiv h SER 100 Cb 0.98 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2aiv h SER 100 CO 0.09 0.36 0.00 0.35 -1.14 0.00 0.00 176.83 176.49 2aiv n THR 101 N -4.47 0.55 -2.05 -2.27 -2.24 -1.21 -4.98 114.28 97.62 2aiv n THR 101 Ca 0.08 -0.70 -0.21 0.00 -2.27 0.00 0.00 64.05 60.95 2aiv n THR 101 Cb 0.20 0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.28 -1.58 -1.79 -0.78 0.63 0.38 -4.91 116.66 108.33 2aiv n ARG 102 Ca 0.00 1.12 -0.42 0.00 -0.92 0.00 0.00 57.85 57.63 2aiv n ARG 102 Cb 0.20 -5.66 -0.02 0.00 0.45 0.00 0.00 32.46 27.43 2aiv n ARG 102 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2aiv s LYS 103 N -4.49 4.14 -0.82 -0.14 -0.14 0.93 -4.80 119.74 114.41 2aiv s LYS 103 Ca 0.00 2.56 -0.02 0.00 -1.36 0.00 0.00 55.97 57.15 2aiv s LYS 103 Cb 0.00 -3.05 0.20 0.00 -1.68 0.00 0.00 37.83 33.30 2aiv s LYS 103 CO 0.00 -0.65 0.69 -1.25 -0.76 0.00 0.00 175.35 173.38 2aiv s PRO 104 N 0.04 3.08 -0.68 -1.68 0.04 -1.26 -1.23 135.00 133.31 2aiv s PRO 104 Ca 0.66 -3.10 -0.26 0.00 0.04 0.00 0.00 61.00 58.35 2aiv s PRO 104 Cb -0.48 -3.89 0.04 0.00 0.04 0.00 0.00 34.50 30.22 2aiv s PRO 104 CO 0.43 -1.25 1.17 0.42 0.04 0.00 0.00 177.00 177.81 2aiv s ILE 105 N -1.03 3.95 -0.23 0.56 1.01 -1.26 -4.84 121.20 119.36 2aiv s ILE 105 Ca 0.25 0.33 0.10 0.00 0.00 0.00 0.00 60.65 61.33 2aiv s ILE 105 Cb -0.10 -4.81 0.43 0.00 0.01 0.00 0.00 42.46 37.99 2aiv s ILE 105 CO -0.10 -1.63 1.21 0.29 0.00 0.00 0.00 174.94 174.71 2aiv n LYS 106 N 8.72 2.13 -4.15 2.79 5.02 -1.26 -4.89 118.16 126.53 2aiv n LYS 106 Ca 0.02 -3.54 -0.10 0.00 -2.02 0.00 0.00 58.31 52.68 2aiv n LYS 106 Cb 0.48 -1.80 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aiv s ASP 107 N -3.33 0.30 0.00 4.39 1.11 -1.26 -5.02 116.67 112.86 2aiv s ASP 107 Ca 0.41 -1.20 0.00 0.00 0.18 0.00 0.00 52.55 51.94 2aiv s ASP 107 Cb 0.38 0.30 0.00 0.00 1.07 0.00 0.00 42.92 44.67 2aiv s ASP 107 CO -0.04 -0.73 0.48 -2.65 1.18 0.00 0.00 175.17 173.40 2aiv n PRO 108 N -0.09 0.33 -3.46 8.23 -0.02 -1.26 -4.70 135.00 134.03 2aiv n PRO 108 Ca -0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 2aiv n PRO 108 Cb 0.64 -1.34 -0.10 0.00 -0.02 0.00 0.00 33.50 32.68 2aiv n PRO 108 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2aiv s ASN 109 N 1.46 6.11 -1.47 2.55 2.47 -1.26 -4.99 114.94 119.81 2aiv s ASN 109 Ca 0.00 -0.91 -0.14 0.00 0.42 0.00 0.00 52.86 52.23 2aiv s ASN 109 Cb 0.00 -2.16 0.03 0.00 -1.45 0.00 0.00 41.25 37.67 2aiv s ASN 109 CO 0.00 -0.45 2.27 0.00 -3.72 0.00 0.00 177.10 175.19 2aiv n HIS 110 N 5.16 3.48 -0.34 0.43 1.44 -1.26 -4.70 115.22 119.43 2aiv n HIS 110 Ca -0.11 -2.99 -0.03 0.00 -2.01 0.00 0.00 57.72 52.58 2aiv n HIS 110 Cb 0.47 -2.55 0.09 0.00 0.12 0.00 0.00 29.99 28.12 2aiv n HIS 110 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 2aiv h GLN 111 N 5.94 1.22 0.00 -1.40 4.15 -1.94 -3.28 115.11 119.81 2aiv h GLN 111 Ca 0.59 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.91 2aiv h GLN 111 Cb 0.62 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2aiv h GLN 111 CO 1.88 0.84 0.00 1.47 -1.93 0.00 0.00 178.83 181.09 2aiv n LEU 112 N -4.41 0.87 -0.34 -2.39 -0.00 -1.26 -4.82 117.00 104.65 2aiv n LEU 112 Ca 0.10 -0.87 -0.03 0.00 -0.00 0.00 0.00 56.01 55.21 2aiv n LEU 112 Cb 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.55 2aiv n LEU 112 CO 0.37 0.22 1.23 0.58 -0.00 0.00 0.00 177.39 179.79 2aiv h VAL 113 N 1.68 1.25 -0.92 1.47 2.07 -1.89 -2.72 116.25 117.19 2aiv h VAL 113 Ca 0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2aiv h VAL 113 Cb 0.78 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2aiv h VAL 113 CO 0.00 0.26 0.59 0.11 0.02 0.00 0.00 177.57 178.54 2aiv h LYS 114 N 1.26 1.22 -0.50 1.57 1.57 -1.88 -1.94 116.57 117.87 2aiv h LYS 114 Ca 0.33 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2aiv h LYS 114 Cb -0.08 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 31.94 2aiv h LYS 114 CO -0.06 0.82 0.30 0.00 -0.57 0.00 0.00 179.45 179.94 2aiv h ARG 115 N 1.25 0.68 -0.91 3.15 3.08 -1.85 -1.44 114.38 118.34 2aiv h ARG 115 Ca 0.33 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 2aiv h ARG 115 Cb -0.11 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 2aiv h ARG 115 CO -0.07 0.49 0.51 1.25 -1.07 0.00 0.00 179.97 181.08 2aiv h HIS 116 N 0.67 1.24 -0.69 3.04 2.76 -1.32 -2.58 115.15 118.27 2aiv h HIS 116 Ca 0.18 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.25 2aiv h HIS 116 Cb -0.01 -0.40 -0.03 0.00 1.55 0.00 0.00 27.41 28.52 2aiv h HIS 116 CO -0.03 0.85 0.13 0.82 -1.30 0.00 0.00 177.93 178.41 2aiv h ILE 117 N 1.27 1.26 -0.88 6.26 1.08 -0.94 -2.21 117.51 123.36 2aiv h ILE 117 Ca 0.32 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2aiv h ILE 117 Cb 0.01 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 2aiv h ILE 117 CO -0.05 0.39 0.57 -0.33 -0.69 0.00 0.00 178.15 178.03 2aiv h GLU 118 N 1.05 1.17 -0.51 2.37 5.08 -0.89 0.44 114.58 123.30 2aiv h GLU 118 Ca 0.21 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 2aiv h GLU 118 Cb 0.42 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2aiv h GLU 118 CO 0.01 0.79 -0.16 0.00 -1.00 0.00 0.00 179.01 178.65 2aiv h ARG 119 N 1.20 1.01 -0.49 2.33 3.08 -1.30 -2.62 114.38 117.59 2aiv h ARG 119 Ca 0.32 -0.41 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 2aiv h ARG 119 Cb -0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2aiv h ARG 119 CO -0.07 1.09 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.66 2aiv h LEU 120 N 0.88 1.00 -1.04 3.04 3.38 -0.86 -3.06 115.31 118.65 2aiv h LEU 120 Ca 0.12 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2aiv h LEU 120 Cb 0.74 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2aiv h LEU 120 CO 0.06 1.16 0.65 0.50 0.09 0.00 0.00 178.44 180.89 2aiv h LYS 121 N 0.86 1.24 0.00 1.13 3.64 0.01 -0.90 116.57 122.54 2aiv h LYS 121 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2aiv h LYS 121 Cb 0.76 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2aiv h LYS 121 CO 0.06 0.82 0.00 1.63 -2.27 0.00 0.00 179.45 179.69 2aiv n LYS 122 N -4.42 0.27 -3.56 1.90 4.76 -1.00 -4.85 118.16 111.26 2aiv n LYS 122 Ca 0.13 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.31 2aiv n LYS 122 Cb 0.06 -1.40 0.05 0.00 -1.84 0.00 0.00 35.03 31.90 2aiv n LYS 122 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2aiv n ASN 123 N -0.90 -5.05 0.00 4.39 2.85 -0.34 -5.00 115.26 111.21 2aiv n ASN 123 Ca 0.05 -0.90 0.00 0.00 -0.11 0.00 0.00 54.58 53.62 2aiv n ASN 123 Cb 0.02 -4.00 0.00 0.00 1.24 0.00 0.00 39.78 37.04 2aiv n ASN 123 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2aiv n PRO 124 N -3.93 0.00 -0.13 1.20 -0.04 -1.26 -4.75 135.00 126.09 2aiv n PRO 124 Ca -0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 2aiv n PRO 124 Cb 0.61 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.06 2aiv n PRO 124 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2aiv h ASN 125 N 0.00 1.00 -5.23 3.54 -0.26 -1.95 -3.46 115.58 109.23 2aiv h ASN 125 Ca 0.00 -0.44 -0.12 0.00 -0.56 0.00 0.00 56.30 55.18 2aiv h ASN 125 Cb 0.00 -0.28 -0.15 0.00 -1.06 0.00 0.00 38.32 36.83 2aiv h ASN 125 CO 0.00 1.23 -0.66 -0.55 -1.06 0.00 0.00 177.43 176.39 2aiv s SER 126 N -6.78 0.46 0.11 5.81 0.15 -1.26 -5.07 113.70 107.12 2aiv s SER 126 Ca -0.11 -0.97 -0.24 0.00 0.70 0.00 0.00 55.95 55.33 2aiv s SER 126 Cb 0.11 0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 64.56 2aiv s SER 126 CO 0.88 -0.60 0.73 -0.54 1.20 0.00 0.00 173.24 174.91 2aiv s LYS 127 N -3.86 4.48 -0.25 5.44 1.02 -1.12 -4.54 119.74 120.90 2aiv s LYS 127 Ca 0.06 1.05 -0.20 0.00 0.02 0.00 0.00 55.97 56.90 2aiv s LYS 127 Cb 0.07 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 2aiv s LYS 127 CO -0.10 0.48 0.61 0.12 -0.92 0.00 0.00 175.35 175.54 2aiv s PHE 128 N -0.76 3.28 -0.05 3.18 2.19 -1.25 -2.07 117.98 122.50 2aiv s PHE 128 Ca 0.35 0.78 -0.02 0.00 0.33 0.00 0.00 56.93 58.37 2aiv s PHE 128 Cb -0.22 -2.82 -0.01 0.00 -1.31 0.00 0.00 43.02 38.67 2aiv s PHE 128 CO 0.24 -0.31 -0.04 0.93 1.83 0.00 0.00 175.22 177.86 2aiv h GLU 129 N 7.91 0.00 -1.69 10.12 5.08 -1.76 -3.47 114.58 130.77 2aiv h GLU 129 Ca -0.27 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2aiv h GLU 129 Cb 1.13 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.16 2aiv h GLU 129 CO 0.76 0.00 0.49 -1.12 -1.00 0.00 0.00 179.01 178.14 2aiv s SER 130 N -4.26 -0.41 -0.03 1.42 0.01 -1.06 -5.01 113.70 104.36 2aiv s SER 130 Ca -0.04 0.42 0.06 0.00 1.31 0.00 0.00 55.95 57.70 2aiv s SER 130 Cb 0.00 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.57 2aiv s SER 130 CO 0.05 -0.41 -0.22 -0.47 0.41 0.00 0.00 173.24 172.61 2aiv s TYR 131 N -1.30 2.01 -0.23 2.43 6.14 -1.26 -0.99 117.35 124.15 2aiv s TYR 131 Ca -0.03 -0.44 -0.05 0.00 0.64 0.00 0.00 57.07 57.19 2aiv s TYR 131 Cb -0.00 -1.30 -0.01 0.00 0.42 0.00 0.00 41.96 41.06 2aiv s TYR 131 CO 0.02 -0.08 -0.00 -0.51 0.64 0.00 0.00 175.55 175.62 2aiv s ASP 132 N -0.38 4.61 0.14 4.32 1.01 -1.01 -4.99 116.67 120.36 2aiv s ASP 132 Ca 0.05 -0.36 -0.11 0.00 0.71 0.00 0.00 52.55 52.84 2aiv s ASP 132 Cb -0.10 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 41.97 2aiv s ASP 132 CO 0.00 -0.04 1.46 0.00 0.21 0.00 0.00 175.17 176.80 2aiv h ALA 133 N 8.16 0.54 -0.91 5.23 0.00 -1.91 0.91 119.26 131.28 2aiv h ALA 133 Ca -0.40 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 2aiv h ALA 133 Cb 1.16 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2aiv h ALA 133 CO 0.59 0.68 0.56 -0.44 0.00 0.00 0.00 179.25 180.64 2aiv h ASP 134 N 0.75 1.09 0.00 0.00 3.45 -1.94 -3.02 116.42 116.75 2aiv h ASP 134 Ca 0.05 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.45 2aiv h ASP 134 Cb 1.02 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 2aiv h ASP 134 CO 0.10 0.83 -1.36 -1.20 -1.57 0.00 0.00 179.24 176.05 2aiv n SER 135 N -4.39 0.67 0.00 6.45 7.64 -1.22 -4.96 113.62 117.82 2aiv n SER 135 Ca 0.10 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.41 2aiv n SER 135 Cb 0.05 1.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 2aiv n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aiv n GLY 136 N 1.41 1.83 3.76 0.23 0.00 0.32 -4.86 105.19 107.87 2aiv n GLY 136 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.59 4.16 0.13 2.61 2.01 -1.23 -4.67 115.64 118.06 2aiv s THR 137 Ca 0.00 1.99 0.06 0.00 0.31 0.00 0.00 61.69 64.04 2aiv s THR 137 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2aiv s THR 137 CO 0.00 0.50 -0.13 -0.72 -0.69 0.00 0.00 174.62 173.58 2aiv s TYR 138 N -1.14 1.38 -0.16 4.92 1.13 -1.26 -2.42 117.35 119.80 2aiv s TYR 138 Ca 0.40 -0.59 -0.06 0.00 -1.41 0.00 0.00 57.07 55.41 2aiv s TYR 138 Cb -0.25 -0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 39.86 2aiv s TYR 138 CO 0.30 0.14 0.04 0.14 -2.51 0.00 0.00 175.55 173.67 2aiv s VAL 139 N -2.36 4.63 -0.02 -3.49 -7.23 -0.16 -3.83 120.40 107.94 2aiv s VAL 139 Ca 0.11 -0.10 0.08 0.00 -1.81 0.00 0.00 61.98 60.25 2aiv s VAL 139 Cb -0.04 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 2aiv s VAL 139 CO 0.03 0.50 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.71 2aiv s PHE 140 N 0.05 2.37 -0.07 2.82 0.40 -0.64 -2.10 117.98 120.81 2aiv s PHE 140 Ca 0.05 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 2aiv s PHE 140 Cb -0.12 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.90 2aiv s PHE 140 CO 0.01 -0.01 -0.14 -1.50 0.70 0.00 0.00 175.22 174.28 2aiv s ILE 141 N -0.63 1.30 -0.39 0.64 1.10 -0.88 0.75 121.20 123.09 2aiv s ILE 141 Ca 0.10 -0.58 0.12 0.00 -0.51 0.00 0.00 60.65 59.78 2aiv s ILE 141 Cb -0.10 -1.17 0.42 0.00 0.15 0.00 0.00 42.46 41.76 2aiv s ILE 141 CO -0.01 0.39 0.97 0.55 -2.11 0.00 0.00 174.94 174.73 2aiv n VAL 142 N 3.75 1.48 -2.61 4.00 3.14 -1.25 -2.81 118.33 124.03 2aiv n VAL 142 Ca -0.22 -4.12 -0.42 0.00 -2.96 0.00 0.00 64.34 56.61 2aiv n VAL 142 Cb 0.52 -0.29 -0.02 0.00 -1.06 0.00 0.00 33.84 32.99 2aiv n VAL 142 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2aiv s ASN 143 N -3.19 6.48 0.24 6.55 3.84 -1.17 -4.72 114.94 122.97 2aiv s ASN 143 Ca 0.38 0.15 -0.07 0.00 0.21 0.00 0.00 52.86 53.53 2aiv s ASN 143 Cb 0.41 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.80 2aiv s ASN 143 CO -0.07 -1.41 1.90 -0.74 -2.79 0.00 0.00 177.10 173.99 2aiv h HIS 144 N 9.46 1.23 -0.99 0.43 -0.00 -1.98 -2.52 115.15 120.77 2aiv h HIS 144 Ca -0.25 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.14 2aiv h HIS 144 Cb 1.06 -0.41 -0.05 0.00 -0.00 0.00 0.00 27.41 28.01 2aiv h HIS 144 CO 1.01 0.79 0.64 0.00 -0.00 0.00 0.00 177.93 180.38 2aiv h ALA 145 N 1.33 1.26 -2.45 5.26 0.00 -1.91 -3.40 119.26 119.35 2aiv h ALA 145 Ca 0.34 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 54.57 2aiv h ALA 145 Cb -0.10 -0.40 -0.11 0.00 0.00 0.00 0.00 17.79 17.18 2aiv h ALA 145 CO -0.07 0.67 0.21 0.00 0.00 0.00 0.00 179.25 180.05 2aiv s ALA 146 N -6.08 3.62 -0.02 0.00 0.00 -0.95 -5.05 121.76 113.27 2aiv s ALA 146 Ca -0.13 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 51.53 2aiv s ALA 146 Cb 0.18 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 2aiv s ALA 146 CO 0.82 -0.82 -0.26 -1.21 0.00 0.00 0.00 175.76 174.29 2aiv s GLU 147 N 2.53 2.11 0.00 0.00 2.02 -1.26 -4.73 118.70 119.36 2aiv s GLU 147 Ca 0.28 -0.93 0.32 0.00 0.02 0.00 0.00 54.97 54.66 2aiv s GLU 147 Cb -0.15 -2.04 1.87 0.00 0.10 0.00 0.00 34.13 33.91 2aiv s GLU 147 CO 0.08 0.56 2.21 1.04 0.02 0.00 0.00 175.26 179.17 2aiv n GLN 148 N 2.44 1.01 0.00 1.61 6.02 -1.26 -5.23 117.38 121.97 2aiv n GLN 148 Ca -0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 2aiv n GLN 148 Cb 0.51 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.27 2aiv n GLN 148 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46