#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiv s PRO 2 N 0.00 2.23 -0.28 1.61 0.04 -1.26 -5.12 135.00 132.22 2aiv s PRO 2 Ca 0.00 -2.30 -0.11 0.00 0.04 0.00 0.00 61.00 58.63 2aiv s PRO 2 Cb 0.00 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 2aiv s PRO 2 CO 0.00 -0.48 0.19 -0.80 0.04 0.00 0.00 177.00 175.95 2aiv s ASN 3 N -4.03 6.02 0.25 6.66 0.01 -1.26 -4.97 114.94 117.61 2aiv s ASN 3 Ca 0.13 -0.01 -0.05 0.00 -0.71 0.00 0.00 52.86 52.22 2aiv s ASN 3 Cb -0.00 -2.12 0.28 0.00 0.41 0.00 0.00 41.25 39.82 2aiv s ASN 3 CO 0.08 -0.05 1.88 -0.33 -1.51 0.00 0.00 177.10 177.17 2aiv h GLU 4 N 8.37 1.20 -0.48 -0.60 4.39 -2.02 -1.67 114.58 123.77 2aiv h GLU 4 Ca -0.35 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2aiv h GLU 4 Cb 1.19 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2aiv h GLU 4 CO 0.55 0.86 0.00 0.09 -1.16 0.00 0.00 179.01 179.35 2aiv n ASN 5 N -4.35 2.44 -4.69 1.42 3.02 -1.26 -4.86 115.26 106.99 2aiv n ASN 5 Ca 0.09 -2.11 -0.37 0.00 -0.03 0.00 0.00 54.58 52.17 2aiv n ASN 5 Cb 0.08 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.57 3.38 0.05 3.10 5.04 -0.63 -4.11 117.35 122.62 2aiv s TYR 6 Ca 0.27 0.43 -0.00 0.00 -2.44 0.00 0.00 57.07 55.33 2aiv s TYR 6 Cb 0.16 -2.33 -0.04 0.00 0.35 0.00 0.00 41.96 40.10 2aiv s TYR 6 CO 0.16 0.13 -0.04 1.52 -1.34 0.00 0.00 175.55 175.98 2aiv s TYR 7 N 0.86 0.56 -0.03 4.97 1.13 -1.23 -4.89 117.35 118.72 2aiv s TYR 7 Ca 0.13 -0.91 0.03 0.00 -1.41 0.00 0.00 57.07 54.90 2aiv s TYR 7 Cb -0.13 -0.38 0.00 0.00 -1.10 0.00 0.00 41.96 40.35 2aiv s TYR 7 CO 0.04 -0.28 -0.11 0.42 -2.51 0.00 0.00 175.55 173.11 2aiv s ILE 8 N -3.28 0.96 -1.21 -3.49 -1.09 -1.26 -3.76 121.20 108.08 2aiv s ILE 8 Ca 0.03 -0.45 -0.06 0.00 -2.23 0.00 0.00 60.65 57.95 2aiv s ILE 8 Cb 0.03 -0.85 0.21 0.00 -1.58 0.00 0.00 42.46 40.27 2aiv s ILE 8 CO -0.07 0.30 1.92 -1.20 -1.23 0.00 0.00 174.94 174.66 2aiv n SER 9 N 3.35 6.58 -4.46 3.58 7.64 0.11 -1.67 113.62 128.75 2aiv n SER 9 Ca -0.19 -3.28 -0.29 0.00 1.01 0.00 0.00 58.87 56.12 2aiv n SER 9 Cb 0.53 -1.35 -0.05 0.00 -1.01 0.00 0.00 64.21 62.33 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 2.05 0.86 -0.91 1.43 -0.04 -1.26 -3.93 135.00 133.20 2aiv n PRO 10 Ca 0.44 -3.35 -0.36 0.00 -0.04 0.00 0.00 63.50 60.19 2aiv n PRO 10 Cb 0.31 0.83 0.07 0.00 -0.04 0.00 0.00 33.50 34.66 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 -1.36 -3.54 -0.34 3.54 7.64 -0.67 -4.35 113.62 114.54 2aiv n SER 11 Ca -0.17 0.05 -0.02 0.00 1.01 0.00 0.00 58.87 59.74 2aiv n SER 11 Cb 0.58 -0.73 0.10 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.28 1.04 -0.31 -3.43 -0.00 -1.99 -0.50 115.31 108.85 2aiv h LEU 12 Ca -0.44 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 57.31 2aiv h LEU 12 Cb 1.36 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 2aiv h LEU 12 CO 0.26 0.74 -0.24 0.44 -0.00 0.00 0.00 178.44 179.65 2aiv h ASP 13 N 1.23 0.74 -0.92 -0.43 3.32 -2.00 -2.89 116.42 115.47 2aiv h ASP 13 Ca 0.35 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.96 2aiv h ASP 13 Cb -0.10 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.20 2aiv h ASP 13 CO -0.09 1.03 0.60 0.74 -1.72 0.00 0.00 179.24 179.81 2aiv h THR 14 N 0.46 1.24 -0.94 0.35 2.02 -1.77 -2.51 112.91 111.77 2aiv h THR 14 Ca 0.06 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2aiv h THR 14 Cb 0.80 -0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2aiv h THR 14 CO 0.06 0.23 0.59 0.25 0.37 0.00 0.00 175.52 177.02 2aiv h LEU 15 N 1.25 1.10 -1.69 2.58 5.85 -1.02 -1.68 115.31 121.70 2aiv h LEU 15 Ca 0.34 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2aiv h LEU 15 Cb -0.13 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.62 2aiv h LEU 15 CO -0.07 0.83 0.00 0.77 -0.34 0.00 0.00 178.44 179.63 2aiv h SER 16 N 1.28 0.00 0.01 1.25 4.64 -1.24 -2.03 113.55 117.46 2aiv h SER 16 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2aiv h SER 16 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2aiv h SER 16 CO -0.07 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.69 2aiv n SER 17 N -3.05 0.00 -4.81 4.97 7.64 -0.63 -4.85 113.62 112.88 2aiv n SER 17 Ca 0.00 -0.96 -0.31 0.00 1.01 0.00 0.00 58.87 58.61 2aiv n SER 17 Cb 0.26 -0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.52 2aiv n SER 17 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2aiv s TYR 18 N -2.01 3.02 1.17 1.43 2.02 -0.76 -5.05 117.35 117.18 2aiv s TYR 18 Ca 0.47 1.44 -0.18 0.00 -0.37 0.00 0.00 57.07 58.42 2aiv s TYR 18 Cb 0.21 -2.91 0.27 0.00 -0.40 0.00 0.00 41.96 39.14 2aiv s TYR 18 CO 0.36 -1.33 1.11 -1.12 -1.57 0.00 0.00 175.55 173.00 2aiv s SER 19 N -3.73 1.17 0.10 2.29 0.01 -1.26 -4.61 113.70 107.67 2aiv s SER 19 Ca 0.59 0.68 -0.22 0.00 1.31 0.00 0.00 55.95 58.31 2aiv s SER 19 Cb -0.15 -0.97 -0.12 0.00 0.21 0.00 0.00 66.02 64.99 2aiv s SER 19 CO 0.55 -3.98 1.75 0.25 0.41 0.00 0.00 173.24 172.22 2aiv h LEU 20 N -2.48 0.04 -0.35 2.44 5.85 -1.98 0.55 115.31 119.37 2aiv h LEU 20 Ca -0.46 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.09 2aiv h LEU 20 Cb 1.30 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2aiv h LEU 20 CO 0.37 0.03 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.99 2aiv h LEU 21 N 0.06 1.00 -0.59 2.25 3.38 -1.96 -1.82 115.31 117.62 2aiv h LEU 21 Ca 0.02 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2aiv h LEU 21 Cb 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2aiv h LEU 21 CO -0.02 1.29 0.36 -0.61 0.09 0.00 0.00 178.44 179.55 2aiv h GLN 22 N 0.73 0.81 -0.37 1.13 4.15 -1.75 0.93 115.11 120.74 2aiv h GLN 22 Ca 0.05 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.23 2aiv h GLN 22 Cb 1.04 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 2aiv h GLN 22 CO 0.10 0.58 -0.41 1.25 -1.93 0.00 0.00 178.83 178.43 2aiv h LEU 23 N 0.80 1.00 -0.44 -2.39 6.46 -0.90 -2.64 115.31 117.21 2aiv h LEU 23 Ca 0.21 -0.47 -0.15 0.00 -0.12 0.00 0.00 57.88 57.35 2aiv h LEU 23 Cb -0.02 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.62 2aiv h LEU 23 CO -0.04 1.27 -0.34 0.03 -0.62 0.00 0.00 178.44 178.74 2aiv h ARG 24 N 0.75 0.93 -2.91 1.25 3.08 -0.99 -3.38 114.38 113.12 2aiv h ARG 24 Ca 0.05 -0.46 -0.61 0.00 0.07 0.00 0.00 59.98 59.03 2aiv h ARG 24 Cb 1.01 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.65 2aiv h ARG 24 CO 0.10 1.12 -0.68 0.21 -1.07 0.00 0.00 179.97 179.65 2aiv s LYS 25 N -4.46 2.03 -0.86 0.04 2.20 0.32 0.01 119.74 119.01 2aiv s LYS 25 Ca -0.11 -2.98 -0.25 0.00 -0.36 0.00 0.00 55.97 52.27 2aiv s LYS 25 Cb 0.12 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 2aiv s LYS 25 CO 0.88 -1.30 1.89 0.08 -0.36 0.00 0.00 175.35 176.53 2aiv s VAL 26 N -1.00 3.47 0.00 4.02 1.01 -1.00 -4.55 120.40 122.36 2aiv s VAL 26 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2aiv s VAL 26 Cb -0.04 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2aiv s VAL 26 CO -0.16 -1.02 0.34 -0.81 0.00 0.00 0.00 175.10 173.44 2aiv n PRO 27 N 8.92 0.00 -3.43 2.72 -0.04 -1.26 -4.39 135.00 137.51 2aiv n PRO 27 Ca 0.36 0.26 -0.39 0.00 -0.04 0.00 0.00 63.50 63.70 2aiv n PRO 27 Cb 0.48 -0.84 -0.09 0.00 -0.04 0.00 0.00 33.50 33.01 2aiv n PRO 27 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2aiv s HIS 28 N -0.67 3.24 -0.13 0.54 3.76 -1.26 -3.81 115.29 116.96 2aiv s HIS 28 Ca 0.00 0.35 0.03 0.00 -0.15 0.00 0.00 55.06 55.28 2aiv s HIS 28 Cb 0.00 -2.53 0.00 0.00 1.11 0.00 0.00 32.58 31.16 2aiv s HIS 28 CO 0.00 -0.22 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.95 2aiv s LEU 29 N 2.01 2.16 -0.22 0.89 1.43 -0.90 -4.79 118.68 119.25 2aiv s LEU 29 Ca 0.13 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2aiv s LEU 29 Cb -0.16 -1.45 0.06 0.00 0.03 0.00 0.00 46.19 44.67 2aiv s LEU 29 CO 0.10 0.11 -0.06 -0.69 0.23 0.00 0.00 176.35 176.05 2aiv s VAL 30 N 0.62 1.47 -0.00 -1.59 1.01 -1.25 -1.91 120.40 118.75 2aiv s VAL 30 Ca -0.11 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.77 2aiv s VAL 30 Cb -0.16 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 2aiv s VAL 30 CO 0.03 -0.03 -0.01 0.54 0.00 0.00 0.00 175.10 175.62 2aiv s VAL 31 N 1.44 0.12 -5.00 2.92 0.11 0.87 0.09 120.40 120.94 2aiv s VAL 31 Ca -0.04 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2aiv s VAL 31 Cb -0.18 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2aiv s VAL 31 CO -0.07 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2aiv n GLY 32 N 3.05 -1.29 3.27 6.54 0.00 -1.25 0.99 105.19 116.49 2aiv n GLY 32 Ca -0.12 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 2aiv n GLY 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2aiv s HIS 33 N -2.44 0.04 0.24 1.61 2.46 -0.43 -3.48 115.29 113.29 2aiv s HIS 33 Ca 0.00 -0.42 -0.07 0.00 0.47 0.00 0.00 55.06 55.04 2aiv s HIS 33 Cb 0.00 0.07 0.24 0.00 -0.13 0.00 0.00 32.58 32.76 2aiv s HIS 33 CO 0.00 -0.63 1.92 0.87 -2.47 0.00 0.00 174.74 174.44 2aiv h LYS 34 N 2.58 1.28 -0.56 2.88 1.57 -1.85 0.67 116.57 123.13 2aiv h LYS 34 Ca -0.34 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.25 2aiv h LYS 34 Cb 1.22 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2aiv h LYS 34 CO 0.52 0.85 -0.09 0.66 -0.57 0.00 0.00 179.45 180.82 2aiv h SER 35 N 1.32 1.05 0.00 0.86 4.64 -1.96 -3.39 113.55 116.06 2aiv h SER 35 Ca 0.36 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2aiv h SER 35 Cb -0.15 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.65 2aiv h SER 35 CO -0.08 1.14 0.00 -1.22 -0.87 0.00 0.00 176.83 175.80 2aiv n TYR 36 N -4.15 0.00 0.00 4.77 4.01 -0.97 -4.74 117.16 116.08 2aiv n TYR 36 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2aiv n TYR 36 Cb 0.39 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2aiv n TYR 36 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aiv n GLY 37 N 1.98 -0.96 3.72 2.72 0.00 0.23 -3.50 105.19 109.38 2aiv n GLY 37 Ca 0.00 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 2aiv n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aiv s LYS 38 N -2.00 4.21 -0.09 1.61 2.20 -0.09 -1.32 119.74 124.27 2aiv s LYS 38 Ca 0.00 -0.07 0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2aiv s LYS 38 Cb 0.00 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2aiv s LYS 38 CO 0.00 0.23 -0.24 0.42 -0.36 0.00 0.00 175.35 175.40 2aiv s ILE 39 N 0.54 2.04 -0.05 5.43 1.01 0.28 0.42 121.20 130.86 2aiv s ILE 39 Ca 0.12 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2aiv s ILE 39 Cb -0.12 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.61 2aiv s ILE 39 CO 0.02 0.56 -0.09 -1.83 0.00 0.00 0.00 174.94 173.60 2aiv s GLU 40 N 0.19 1.29 -0.16 2.79 -1.05 -0.18 -0.09 118.70 121.48 2aiv s GLU 40 Ca -0.14 -0.29 0.01 0.00 -0.15 0.00 0.00 54.97 54.39 2aiv s GLU 40 Cb -0.17 -1.13 0.01 0.00 -0.44 0.00 0.00 34.13 32.40 2aiv s GLU 40 CO 0.07 0.01 -0.17 -0.06 0.95 0.00 0.00 175.26 176.05 2aiv s PHE 41 N 0.67 2.76 -0.87 4.83 0.08 -0.80 -0.87 117.98 123.78 2aiv s PHE 41 Ca -0.12 -1.27 0.14 0.00 0.12 0.00 0.00 56.93 55.81 2aiv s PHE 41 Cb -0.14 -1.89 0.46 0.00 -0.57 0.00 0.00 43.02 40.87 2aiv s PHE 41 CO 0.02 -0.60 1.38 1.28 -0.10 0.00 0.00 175.22 177.20 2aiv n LEU 42 N 4.26 3.56 -4.97 -0.37 4.32 -1.25 -2.13 117.00 120.42 2aiv n LEU 42 Ca -0.20 -2.32 -0.27 0.00 -0.02 0.00 0.00 56.01 53.20 2aiv n LEU 42 Cb 0.51 -0.39 0.17 0.00 -1.62 0.00 0.00 43.42 42.10 2aiv n LEU 42 CO 0.28 0.75 0.75 -1.61 -1.22 0.00 0.00 177.39 176.34 2aiv s GLU 43 N -1.57 0.86 -0.78 3.23 0.41 -1.26 -4.82 118.70 114.76 2aiv s GLU 43 Ca 0.35 -0.86 -0.00 0.00 -0.41 0.00 0.00 54.97 54.05 2aiv s GLU 43 Cb 0.22 -2.05 0.19 0.00 -1.78 0.00 0.00 34.13 30.72 2aiv s GLU 43 CO 0.17 -2.15 0.62 -1.25 -0.49 0.00 0.00 175.26 172.16 2aiv s PRO 44 N -5.62 2.89 -1.16 0.39 0.04 -1.26 -3.80 135.00 126.47 2aiv s PRO 44 Ca 0.73 -3.10 -0.22 0.00 0.04 0.00 0.00 61.00 58.45 2aiv s PRO 44 Cb -0.03 -3.76 -0.06 0.00 0.04 0.00 0.00 34.50 30.69 2aiv s PRO 44 CO 0.50 -1.24 1.90 0.14 0.04 0.00 0.00 177.00 178.34 2aiv s VAL 45 N -1.04 3.61 -0.58 -0.36 -7.23 -0.68 -4.66 120.40 109.47 2aiv s VAL 45 Ca 0.24 -0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 59.18 2aiv s VAL 45 Cb -0.10 -4.59 -0.05 0.00 0.56 0.00 0.00 36.38 32.20 2aiv s VAL 45 CO -0.11 -1.14 2.16 -1.81 -0.31 0.00 0.00 175.10 173.89 2aiv s ASP 46 N 6.38 4.79 -0.13 4.85 1.01 0.10 -4.25 116.67 129.41 2aiv s ASP 46 Ca 0.66 0.63 0.04 0.00 0.71 0.00 0.00 52.55 54.59 2aiv s ASP 46 Cb -0.01 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.30 2aiv s ASP 46 CO 0.10 -2.72 -0.08 0.18 0.21 0.00 0.00 175.17 172.86 2aiv n LEU 47 N 14.65 2.12 -3.77 1.23 4.77 -1.26 -4.78 117.00 129.96 2aiv n LEU 47 Ca 0.30 -0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.95 2aiv n LEU 47 Cb 0.53 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 2aiv n LEU 47 CO 0.70 0.60 0.16 0.00 -1.33 0.00 0.00 177.39 177.52 2aiv n ALA 48 N -2.77 -1.28 0.00 -1.18 0.00 -1.26 -3.06 120.51 110.97 2aiv n ALA 48 Ca -0.23 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2aiv n ALA 48 Cb 0.80 -4.85 0.00 0.00 0.00 0.00 0.00 19.45 15.40 2aiv n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aiv n GLY 49 N -1.80 1.05 3.56 0.00 0.00 -1.26 -5.07 105.19 101.66 2aiv n GLY 49 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2aiv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aiv s ILE 50 N -2.00 3.43 -0.48 -0.61 -1.09 -1.17 -4.84 121.20 114.44 2aiv s ILE 50 Ca 0.00 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.28 2aiv s ILE 50 Cb 0.00 -4.02 0.58 0.00 -1.58 0.00 0.00 42.46 37.44 2aiv s ILE 50 CO 0.00 -0.97 1.86 -0.81 -1.23 0.00 0.00 174.94 173.79 2aiv n PRO 51 N 8.98 2.37 -0.33 2.79 -0.04 -1.26 -4.58 135.00 142.92 2aiv n PRO 51 Ca 0.32 -3.16 -0.04 0.00 -0.04 0.00 0.00 63.50 60.58 2aiv n PRO 51 Cb 0.49 -2.16 0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2aiv n PRO 51 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2aiv h LEU 52 N 1.32 1.13 -0.65 1.53 5.85 -1.99 -2.95 115.31 119.55 2aiv h LEU 52 Ca 0.56 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 59.31 2aiv h LEU 52 Cb 2.09 -0.29 -0.12 0.00 0.37 0.00 0.00 40.66 42.71 2aiv h LEU 52 CO 1.13 0.92 -0.11 0.71 -0.34 0.00 0.00 178.44 180.75 2aiv h THR 53 N 1.26 0.38 -0.75 1.05 1.35 -1.92 0.56 112.91 114.83 2aiv h THR 53 Ca 0.31 -0.01 -0.06 0.00 -0.55 0.00 0.00 66.41 66.10 2aiv h THR 53 Cb 0.05 0.34 -0.03 0.00 -1.73 0.00 0.00 68.15 66.79 2aiv h THR 53 CO -0.05 0.01 0.23 -1.28 -0.25 0.00 0.00 175.52 174.18 2aiv h SER 54 N 0.03 1.09 -0.94 5.36 0.87 -1.89 -2.54 113.55 115.53 2aiv h SER 54 Ca 0.32 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2aiv h SER 54 Cb 0.51 -0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 2aiv h SER 54 CO -0.64 1.01 0.56 -0.07 -0.53 0.00 0.00 176.83 177.16 2aiv h LEU 55 N 1.11 1.13 0.00 2.23 3.38 -0.40 -3.47 115.31 119.29 2aiv h LEU 55 Ca 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2aiv h LEU 55 Cb 0.31 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2aiv h LEU 55 CO -0.01 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.00 2aiv n GLY 56 N -1.24 0.75 0.00 0.83 0.00 0.16 -5.10 105.19 100.59 2aiv n GLY 56 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.37 0.10 -0.02 0.00 -1.01 -4.99 105.19 99.64 2aiv n GLY 57 Ca 0.00 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.27 2aiv n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2aiv n VAL 58 N -1.28 0.56 -0.23 1.61 0.31 -1.26 -3.79 118.33 114.25 2aiv n VAL 58 Ca 0.00 -0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 64.02 2aiv n VAL 58 Cb 0.00 -0.59 0.05 0.00 -0.91 0.00 0.00 33.84 32.39 2aiv n VAL 58 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2aiv h ILE 59 N 0.00 1.14 -3.06 2.52 2.04 -1.79 -3.41 117.51 114.95 2aiv h ILE 59 Ca 0.00 -0.29 -0.67 0.00 1.00 0.00 0.00 64.86 64.90 2aiv h ILE 59 Cb 0.71 0.22 -0.35 0.00 -0.74 0.00 0.00 36.82 36.67 2aiv h ILE 59 CO 0.00 0.15 -0.86 -0.63 0.00 0.00 0.00 178.15 176.81 2aiv s ILE 60 N -6.14 2.06 -0.03 -0.67 1.01 -1.25 -4.36 121.20 111.82 2aiv s ILE 60 Ca -0.13 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 2aiv s ILE 60 Cb 0.14 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.79 2aiv s ILE 60 CO 0.76 0.54 0.47 0.28 0.00 0.00 0.00 174.94 176.99 2aiv s THR 61 N 1.29 0.03 -0.17 2.92 -1.32 -1.18 -4.69 115.64 112.52 2aiv s THR 61 Ca 0.05 -0.27 -0.03 0.00 -1.21 0.00 0.00 61.69 60.23 2aiv s THR 61 Cb -0.13 -0.78 0.06 0.00 -1.51 0.00 0.00 72.50 70.13 2aiv s THR 61 CO -0.13 -0.15 0.05 0.12 -2.21 0.00 0.00 174.62 172.30 2aiv s PHE 62 N -1.27 0.71 0.33 9.09 2.19 -1.26 -3.07 117.98 124.69 2aiv s PHE 62 Ca -0.12 -0.59 -0.27 0.00 0.33 0.00 0.00 56.93 56.27 2aiv s PHE 62 Cb -0.03 -0.89 -0.09 0.00 -1.31 0.00 0.00 43.02 40.70 2aiv s PHE 62 CO 0.07 -0.54 1.09 -1.21 1.83 0.00 0.00 175.22 176.46 2aiv s GLU 63 N 1.96 4.44 -0.33 10.12 0.41 0.25 -4.88 118.70 130.68 2aiv s GLU 63 Ca 0.01 1.73 -0.04 0.00 -0.41 0.00 0.00 54.97 56.25 2aiv s GLU 63 Cb -0.16 -2.95 -0.10 0.00 -1.78 0.00 0.00 34.13 29.14 2aiv s GLU 63 CO -0.08 0.06 2.04 -2.30 -0.49 0.00 0.00 175.26 174.49 2aiv n PRO 64 N 0.71 1.35 0.00 0.39 -0.02 -1.26 -1.79 135.00 134.38 2aiv n PRO 64 Ca 0.01 -0.84 0.00 0.00 -2.02 0.00 0.00 63.50 60.65 2aiv n PRO 64 Cb 0.46 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2aiv n PRO 64 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2aiv n LYS 65 N 3.36 0.00 -3.98 -0.52 2.85 -1.25 -4.84 118.16 113.77 2aiv n LYS 65 Ca 0.29 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.46 2aiv n LYS 65 Cb 0.32 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.59 2aiv n LYS 65 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2aiv s THR 66 N 0.00 0.12 -0.21 0.58 2.01 -0.74 -4.58 115.64 112.82 2aiv s THR 66 Ca 0.00 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 2aiv s THR 66 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2aiv s THR 66 CO 0.00 -0.50 0.09 0.00 -0.69 0.00 0.00 174.62 173.52 2aiv s ILE 68 N 0.83 2.11 0.00 0.00 1.01 -1.18 -4.92 121.20 119.05 2aiv s ILE 68 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2aiv s ILE 68 Cb -0.13 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.45 2aiv s ILE 68 CO 0.02 0.54 0.00 -0.38 0.00 0.00 0.00 174.94 175.12 2aiv n ILE 69 N 4.56 0.00 0.33 2.92 5.41 -1.26 -3.10 119.36 128.22 2aiv n ILE 69 Ca -0.21 0.02 -0.15 0.00 1.00 0.00 0.00 62.75 63.42 2aiv n ILE 69 Cb 0.50 -0.55 -0.07 0.00 -0.71 0.00 0.00 39.64 38.81 2aiv n ILE 69 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2aiv h TYR 70 N 0.00 -0.81 0.00 1.39 3.20 -1.80 -3.38 116.97 115.57 2aiv h TYR 70 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2aiv h TYR 70 Cb 0.00 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2aiv h TYR 70 CO 0.00 -0.48 0.00 0.00 -1.64 0.00 0.00 178.16 176.04 2aiv n ALA 71 N -2.66 0.00 -0.18 1.82 0.00 -1.26 -4.50 120.51 113.72 2aiv n ALA 71 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.33 2aiv n ALA 71 Cb 0.36 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.07 2aiv n ALA 71 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2aiv h ASN 72 N 0.00 0.81 -0.77 0.00 2.35 -1.96 -3.34 115.58 112.66 2aiv h ASN 72 Ca 0.00 -0.03 -0.68 0.00 -0.55 0.00 0.00 56.30 55.04 2aiv h ASN 72 Cb 0.00 -0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.09 2aiv h ASN 72 CO 0.00 0.60 2.28 -0.11 -1.65 0.00 0.00 177.43 178.55 2aiv n LEU 73 N -4.41 5.09 -1.90 1.61 -0.00 -1.26 -4.84 117.00 111.28 2aiv n LEU 73 Ca 0.07 -3.93 -0.18 0.00 -0.00 0.00 0.00 56.01 51.97 2aiv n LEU 73 Cb 0.05 -1.74 0.12 0.00 -0.00 0.00 0.00 43.42 41.85 2aiv n LEU 73 CO 0.36 0.21 1.10 -0.81 -0.00 0.00 0.00 177.39 178.25 2aiv n PRO 74 N 8.19 1.93 -0.06 1.96 -0.04 -1.25 -4.09 135.00 141.62 2aiv n PRO 74 Ca 0.49 -2.14 -0.08 0.00 -0.04 0.00 0.00 63.50 61.73 2aiv n PRO 74 Cb 0.45 -1.84 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 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 -0.59 2.74 -3.59 3.54 5.03 -1.26 -4.85 115.26 116.28 2aiv n ASN 75 Ca 0.42 -0.05 -0.27 0.00 0.87 0.00 0.00 54.58 55.56 2aiv n ASN 75 Cb 1.22 0.15 -0.10 0.00 -1.02 0.00 0.00 39.78 40.02 2aiv n ASN 75 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2aiv n ARG 76 N -2.71 1.08 -1.26 3.52 1.74 -1.26 -4.95 116.66 112.83 2aiv n ARG 76 Ca -0.21 -3.83 -0.27 0.00 -0.77 0.00 0.00 57.85 52.77 2aiv n ARG 76 Cb 0.79 -1.94 0.14 0.00 -1.02 0.00 0.00 32.46 30.44 2aiv n ARG 76 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2aiv n PRO 77 N 2.23 2.40 -0.37 5.56 -0.04 -1.26 -4.61 135.00 138.90 2aiv n PRO 77 Ca 0.25 -3.13 -0.02 0.00 -0.04 0.00 0.00 63.50 60.55 2aiv n PRO 77 Cb 0.42 -2.20 0.11 0.00 -0.04 0.00 0.00 33.50 31.79 2aiv n PRO 77 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2aiv h LYS 78 N 1.35 1.31 -6.41 0.54 1.57 -1.97 -3.41 116.57 109.55 2aiv h LYS 78 Ca 0.60 -0.10 -0.54 0.00 -1.87 0.00 0.00 60.65 58.75 2aiv h LYS 78 Cb 2.10 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 34.11 2aiv h LYS 78 CO 1.23 0.89 0.40 1.03 -0.57 0.00 0.00 179.45 182.42 2aiv s ARG 79 N -6.05 4.54 0.00 3.15 0.52 -1.26 -4.84 118.95 115.01 2aiv s ARG 79 Ca -0.13 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 2aiv s ARG 79 Cb 0.18 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.20 2aiv s ARG 79 CO 0.82 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.47 2aiv n GLY 80 N 2.94 0.45 3.80 -3.53 0.00 -1.26 -5.08 105.19 102.50 2aiv n GLY 80 Ca 0.06 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.99 2.82 0.00 1.61 0.41 -1.26 -5.00 118.70 116.30 2aiv s GLU 81 Ca 0.00 -1.11 -0.03 0.00 -0.41 0.00 0.00 54.97 53.42 2aiv s GLU 81 Cb 0.00 -2.50 -0.11 0.00 -1.78 0.00 0.00 34.13 29.74 2aiv s GLU 81 CO 0.00 0.40 2.62 0.41 -0.49 0.00 0.00 175.26 178.20 2aiv n GLY 82 N -1.13 2.65 3.65 -1.39 0.00 -1.26 -4.87 105.19 102.83 2aiv n GLY 82 Ca -0.08 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 2aiv n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aiv s ILE 83 N 0.51 5.03 0.55 -0.61 -0.00 -1.26 -4.85 121.20 120.57 2aiv s ILE 83 Ca 0.28 1.10 -0.15 0.00 -0.00 0.00 0.00 60.65 61.88 2aiv s ILE 83 Cb 0.13 -3.91 -0.07 0.00 -0.00 0.00 0.00 42.46 38.62 2aiv s ILE 83 CO 0.00 0.10 1.00 0.20 -0.00 0.00 0.00 174.94 176.24 2aiv s ASN 84 N 1.31 6.48 -0.47 4.36 0.02 -1.26 -4.98 114.94 120.40 2aiv s ASN 84 Ca 0.26 1.54 0.03 0.00 -1.02 0.00 0.00 52.86 53.68 2aiv s ASN 84 Cb -0.16 -2.50 0.58 0.00 0.02 0.00 0.00 41.25 39.19 2aiv s ASN 84 CO 0.09 -0.69 1.84 1.33 0.02 0.00 0.00 177.10 179.70 2aiv n VAL 85 N -1.91 3.17 -1.47 1.60 0.24 -1.26 -4.81 118.33 113.89 2aiv n VAL 85 Ca 0.06 -2.43 -0.40 0.00 -2.04 0.00 0.00 64.34 59.53 2aiv n VAL 85 Cb 0.54 -0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 32.24 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 -1.07 3.20 -4.28 7.34 1.74 -1.26 -3.74 116.66 118.59 2aiv n ARG 86 Ca 0.55 -2.34 -0.15 0.00 -0.77 0.00 0.00 57.85 55.14 2aiv n ARG 86 Cb 1.28 -3.01 -0.10 0.00 -1.02 0.00 0.00 32.46 29.61 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 2.76 1.62 -0.28 7.54 0.00 -1.26 -4.07 121.76 128.06 2aiv s ALA 87 Ca 0.58 -1.54 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 2aiv s ALA 87 Cb 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2aiv s ALA 87 CO -0.07 -0.05 0.19 1.03 0.00 0.00 0.00 175.76 176.86 2aiv s ARG 88 N -3.72 3.93 -0.14 0.00 0.52 -0.05 -3.81 118.95 115.70 2aiv s ARG 88 Ca 0.18 -0.33 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 2aiv s ARG 88 Cb 0.02 -3.66 -0.02 0.00 0.52 0.00 0.00 34.95 31.81 2aiv s ARG 88 CO 0.02 -0.19 -0.11 0.42 0.02 0.00 0.00 175.30 175.47 2aiv s ILE 89 N 1.76 3.23 -0.27 1.52 1.01 -1.12 -1.01 121.20 126.33 2aiv s ILE 89 Ca 0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 2aiv s ILE 89 Cb -0.16 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 39.96 2aiv s ILE 89 CO 0.11 0.52 -0.02 -0.89 0.00 0.00 0.00 174.94 174.66 2aiv s THR 90 N 0.37 3.16 -0.07 2.92 2.01 0.17 -2.97 115.64 121.24 2aiv s THR 90 Ca -0.09 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.94 2aiv s THR 90 Cb -0.16 -2.65 0.01 0.00 0.01 0.00 0.00 72.50 69.72 2aiv s THR 90 CO 0.05 0.12 -0.13 0.00 -0.69 0.00 0.00 174.62 173.97 2aiv n PHE 92 N 3.79 0.63 -3.37 0.00 -1.74 -1.23 -1.46 117.46 114.08 2aiv n PHE 92 Ca -0.23 -0.68 -0.45 0.00 -0.56 0.00 0.00 57.45 55.54 2aiv n PHE 92 Cb 0.52 -0.15 -0.07 0.00 1.52 0.00 0.00 39.48 41.29 2aiv n PHE 92 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 2aiv s ASN 93 N -1.45 6.16 0.00 5.98 3.84 -1.26 -4.49 114.94 123.71 2aiv s ASN 93 Ca 0.30 -1.47 0.00 0.00 0.21 0.00 0.00 52.86 51.90 2aiv s ASN 93 Cb 0.21 -2.19 0.00 0.00 -0.55 0.00 0.00 41.25 38.72 2aiv s ASN 93 CO 0.12 -0.71 0.00 0.00 -2.79 0.00 0.00 177.10 173.72 2aiv h TYR 95 N 0.00 -0.11 -0.72 0.00 5.03 -1.81 -1.60 116.97 117.75 2aiv h TYR 95 Ca 0.00 0.05 -0.42 0.00 2.58 0.00 0.00 58.73 60.93 2aiv h TYR 95 Cb 0.00 0.14 -0.22 0.00 1.55 0.00 0.00 36.73 38.20 2aiv h TYR 95 CO 0.00 -0.18 0.54 -0.35 -1.32 0.00 0.00 178.16 176.85 2aiv n PRO 96 N -5.31 2.03 -3.31 1.82 -0.04 -1.26 -4.69 135.00 124.25 2aiv n PRO 96 Ca 0.08 -2.26 -0.10 0.00 -0.04 0.00 0.00 63.50 61.18 2aiv n PRO 96 Cb 0.33 -1.89 -0.06 0.00 -0.04 0.00 0.00 33.50 31.85 2aiv n PRO 96 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aiv s VAL 97 N -2.84 -0.59 -0.26 0.52 1.01 -0.60 -2.88 120.40 114.76 2aiv s VAL 97 Ca 0.44 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2aiv s VAL 97 Cb 0.36 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 36.09 2aiv s VAL 97 CO 0.04 -0.35 1.05 -0.62 0.00 0.00 0.00 175.10 175.23 2aiv s ASP 98 N 1.94 7.05 0.38 3.32 -1.08 0.32 -4.84 116.67 123.76 2aiv s ASP 98 Ca 0.14 1.28 0.15 0.00 -0.52 0.00 0.00 52.55 53.60 2aiv s ASP 98 Cb -0.12 -2.54 0.78 0.00 -1.46 0.00 0.00 42.92 39.58 2aiv s ASP 98 CO -0.14 -0.74 1.83 0.07 0.52 0.00 0.00 175.17 176.71 2aiv h LYS 99 N 7.65 0.00 -0.26 4.34 2.10 -1.92 0.96 116.57 129.44 2aiv h LYS 99 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2aiv h LYS 99 Cb 1.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 2aiv h LYS 99 CO 1.00 0.36 0.17 0.77 -2.00 0.00 0.00 179.45 179.74 2aiv h SER 100 N 0.00 0.31 0.00 7.07 0.02 -1.98 -3.31 113.55 115.66 2aiv h SER 100 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2aiv h SER 100 Cb 0.68 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2aiv h SER 100 CO 0.05 0.24 -0.07 0.35 -1.14 0.00 0.00 176.83 176.26 2aiv n THR 101 N -4.89 0.92 -3.06 -2.27 -2.24 -1.22 -4.97 114.28 96.55 2aiv n THR 101 Ca -0.02 -1.03 -0.22 0.00 -2.27 0.00 0.00 64.05 60.51 2aiv n THR 101 Cb 0.03 0.39 0.04 0.00 -2.10 0.00 0.00 70.33 68.69 2aiv n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2aiv n ARG 102 N -0.60 -5.14 -1.89 -0.78 1.74 0.31 -4.91 116.66 105.39 2aiv n ARG 102 Ca 0.04 0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 57.61 2aiv n ARG 102 Cb 0.46 -5.77 -0.03 0.00 -1.02 0.00 0.00 32.46 26.11 2aiv n ARG 102 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2aiv s LYS 103 N -5.74 4.20 -0.82 5.56 2.47 -0.01 -4.67 119.74 120.72 2aiv s LYS 103 Ca 0.32 2.42 -0.02 0.00 -1.56 0.00 0.00 55.97 57.13 2aiv s LYS 103 Cb -0.14 -3.12 0.20 0.00 -1.46 0.00 0.00 37.83 33.31 2aiv s LYS 103 CO 0.40 -0.62 0.69 -1.25 0.16 0.00 0.00 175.35 174.74 2aiv s PRO 104 N 0.84 3.10 -0.04 4.03 0.04 -1.26 0.12 135.00 141.82 2aiv s PRO 104 Ca 0.69 -3.09 -0.30 0.00 0.04 0.00 0.00 61.00 58.34 2aiv s PRO 104 Cb -0.45 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 2aiv s PRO 104 CO 0.34 -1.24 1.25 0.42 0.04 0.00 0.00 177.00 177.81 2aiv s ILE 105 N -1.02 4.11 -0.22 0.56 -1.09 -1.14 -4.92 121.20 117.48 2aiv s ILE 105 Ca 0.25 1.45 0.14 0.00 -2.23 0.00 0.00 60.65 60.26 2aiv s ILE 105 Cb -0.10 -3.93 0.56 0.00 -1.58 0.00 0.00 42.46 37.40 2aiv s ILE 105 CO -0.10 -0.00 1.48 0.29 -1.23 0.00 0.00 174.94 175.38 2aiv n LYS 106 N 5.25 2.81 -3.92 2.79 5.02 -1.26 -4.25 118.16 124.61 2aiv n LYS 106 Ca 0.12 -2.95 -0.09 0.00 -2.02 0.00 0.00 58.31 53.37 2aiv n LYS 106 Cb 0.45 -1.89 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 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 -1.94 0.20 -0.55 4.39 1.11 -1.26 -5.06 116.67 113.56 2aiv s ASP 107 Ca 0.44 -0.70 -0.03 0.00 0.18 0.00 0.00 52.55 52.44 2aiv s ASP 107 Cb 0.37 0.29 0.13 0.00 1.07 0.00 0.00 42.92 44.78 2aiv s ASP 107 CO 0.08 -0.66 2.60 -0.81 1.18 0.00 0.00 175.17 177.56 2aiv n PRO 108 N 0.12 2.49 0.00 8.23 -0.04 -1.26 -4.55 135.00 139.99 2aiv n PRO 108 Ca -0.15 -2.62 0.14 0.00 -0.04 0.00 0.00 63.50 60.83 2aiv n PRO 108 Cb 0.61 -2.17 0.67 0.00 -0.04 0.00 0.00 33.50 32.57 2aiv n PRO 108 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 109 N 0.56 0.07 -2.89 3.54 3.02 -1.26 -4.91 115.26 113.39 2aiv n ASN 109 Ca 0.50 0.05 -0.22 0.00 -0.03 0.00 0.00 54.58 54.88 2aiv n ASN 109 Cb 0.48 -0.32 0.02 0.00 -0.61 0.00 0.00 39.78 39.35 2aiv n ASN 109 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2aiv n HIS 110 N -1.34 -1.76 -0.36 3.10 8.25 -1.26 -4.88 115.22 116.97 2aiv n HIS 110 Ca 0.11 0.40 -0.03 0.00 -0.26 0.00 0.00 57.72 57.95 2aiv n HIS 110 Cb 0.29 -4.33 0.10 0.00 1.12 0.00 0.00 29.99 27.16 2aiv n HIS 110 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2aiv h GLN 111 N -1.07 1.28 0.00 -0.41 1.08 -1.91 -3.24 115.11 110.85 2aiv h GLN 111 Ca -0.52 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 56.58 2aiv h GLN 111 Cb 1.36 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2aiv h GLN 111 CO 0.57 0.88 -0.24 1.47 -0.95 0.00 0.00 178.83 180.56 2aiv n LEU 112 N -4.37 1.19 0.03 1.46 -0.00 -1.26 -4.84 117.00 109.21 2aiv n LEU 112 Ca 0.11 -2.03 -0.12 0.00 -0.00 0.00 0.00 56.01 53.97 2aiv n LEU 112 Cb 0.04 -0.21 -0.07 0.00 -0.00 0.00 0.00 43.42 43.18 2aiv n LEU 112 CO 0.38 0.48 0.87 1.62 -0.00 0.00 0.00 177.39 180.73 2aiv h VAL 113 N 3.40 1.02 -0.50 1.47 3.04 -1.91 -1.49 116.25 121.28 2aiv h VAL 113 Ca 0.00 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.59 2aiv h VAL 113 Cb 1.19 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 2aiv h VAL 113 CO 0.00 0.02 0.14 0.11 -1.01 0.00 0.00 177.57 176.82 2aiv h LYS 114 N 0.00 0.76 -0.94 4.17 1.57 -1.88 -2.65 116.57 117.60 2aiv h LYS 114 Ca 0.01 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2aiv h LYS 114 Cb 0.02 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 2aiv h LYS 114 CO -0.00 0.68 0.60 0.00 -0.57 0.00 0.00 179.45 180.15 2aiv h ARG 115 N 0.74 1.26 -0.84 3.15 3.08 -1.76 -1.58 114.38 118.42 2aiv h ARG 115 Ca 0.17 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2aiv h ARG 115 Cb 0.25 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2aiv h ARG 115 CO -0.00 0.85 0.45 0.45 -1.07 0.00 0.00 179.97 180.65 2aiv h HIS 116 N 1.29 1.17 -0.41 3.04 3.86 -0.92 -1.97 115.15 121.22 2aiv h HIS 116 Ca 0.34 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.37 2aiv h HIS 116 Cb -0.11 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 27.98 2aiv h HIS 116 CO -0.00 0.82 -0.30 0.82 0.86 0.00 0.00 177.93 180.13 2aiv h ILE 117 N 1.18 1.27 -0.81 2.45 1.08 -1.40 -2.90 117.51 118.40 2aiv h ILE 117 Ca 0.30 -1.47 -0.02 0.00 -0.39 0.00 0.00 64.86 63.28 2aiv h ILE 117 Cb 0.05 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.07 2aiv h ILE 117 CO -0.05 0.50 0.44 -0.33 -0.69 0.00 0.00 178.15 178.02 2aiv h GLU 118 N 0.75 1.12 -0.51 2.37 5.08 -1.01 0.43 114.58 122.81 2aiv h GLU 118 Ca 0.08 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2aiv h GLU 118 Cb 0.89 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2aiv h GLU 118 CO 0.08 0.83 0.15 0.00 -1.00 0.00 0.00 179.01 179.07 2aiv h ARG 119 N 1.12 0.80 -0.34 2.33 2.47 -1.32 -2.08 114.38 117.36 2aiv h ARG 119 Ca 0.28 -0.18 -0.17 0.00 -1.26 0.00 0.00 59.98 58.66 2aiv h ARG 119 Cb 0.03 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.23 2aiv h ARG 119 CO -0.05 0.75 -0.44 1.37 0.56 0.00 0.00 179.97 182.16 2aiv h LEU 120 N 0.70 0.95 -0.95 3.04 8.10 -1.29 -3.07 115.31 122.79 2aiv h LEU 120 Ca 0.16 -0.46 0.00 0.00 0.11 0.00 0.00 57.88 57.70 2aiv h LEU 120 Cb 0.29 -0.27 -0.05 0.00 -0.44 0.00 0.00 40.66 40.19 2aiv h LEU 120 CO -0.00 1.25 0.60 0.50 -4.11 0.00 0.00 178.44 176.67 2aiv h LYS 121 N 0.70 1.27 -0.92 0.17 3.64 -0.78 -2.08 116.57 118.57 2aiv h LYS 121 Ca 0.04 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2aiv h LYS 121 Cb 1.04 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 2aiv h LYS 121 CO 0.10 0.86 0.55 0.87 -2.27 0.00 0.00 179.45 179.57 2aiv h LYS 122 N 1.30 1.25 -5.89 1.90 1.79 -1.33 -3.38 116.57 112.20 2aiv h LYS 122 Ca 0.34 -0.12 -0.45 0.00 -2.18 0.00 0.00 60.65 58.25 2aiv h LYS 122 Cb -0.10 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 30.25 2aiv h LYS 122 CO -0.07 0.88 1.23 1.21 -1.08 0.00 0.00 179.45 181.62 2aiv s ASN 123 N -6.21 5.16 -0.10 0.86 3.84 -0.78 -4.85 114.94 112.85 2aiv s ASN 123 Ca -0.13 0.19 0.01 0.00 0.21 0.00 0.00 52.86 53.15 2aiv s ASN 123 Cb 0.17 -2.53 0.16 0.00 -0.55 0.00 0.00 41.25 38.50 2aiv s ASN 123 CO 0.82 -2.52 1.21 -0.81 -2.79 0.00 0.00 177.10 173.02 2aiv n PRO 124 N 9.11 1.30 -0.00 0.43 -0.04 -1.26 -3.62 135.00 140.91 2aiv n PRO 124 Ca 0.26 -0.70 0.11 0.00 -0.04 0.00 0.00 63.50 63.13 2aiv n PRO 124 Cb 0.51 -1.28 -0.16 0.00 -0.04 0.00 0.00 33.50 32.54 2aiv n PRO 124 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 125 N 0.12 0.08 -4.29 3.54 3.02 -1.26 -4.96 115.26 111.51 2aiv n ASN 125 Ca 0.14 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.48 2aiv n ASN 125 Cb 0.77 1.86 -0.12 0.00 -0.61 0.00 0.00 39.78 41.69 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2aiv s SER 126 N -4.55 2.40 -0.28 6.41 1.04 -1.24 -4.48 113.70 113.01 2aiv s SER 126 Ca -0.07 -0.78 -0.11 0.00 0.48 0.00 0.00 55.95 55.47 2aiv s SER 126 Cb 0.14 -0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 2aiv s SER 126 CO 0.90 -0.04 0.20 -0.75 0.98 0.00 0.00 173.24 174.53 2aiv s LYS 127 N -2.44 3.96 -0.06 4.02 2.20 -0.69 -4.96 119.74 121.77 2aiv s LYS 127 Ca 0.10 -0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.11 2aiv s LYS 127 Cb -0.07 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2aiv s LYS 127 CO 0.05 -0.17 1.45 0.12 -0.36 0.00 0.00 175.35 176.44 2aiv s PHE 128 N 1.73 2.56 0.00 4.03 2.19 -1.26 -1.74 117.98 125.49 2aiv s PHE 128 Ca 0.07 0.66 0.00 0.00 0.33 0.00 0.00 56.93 57.99 2aiv s PHE 128 Cb -0.16 -3.71 0.00 0.00 -1.31 0.00 0.00 43.02 37.84 2aiv s PHE 128 CO 0.11 -2.73 0.00 0.39 1.83 0.00 0.00 175.22 174.82 2aiv n GLU 129 N 6.28 0.00 -3.68 10.12 -0.58 -0.58 -4.97 120.64 127.23 2aiv n GLU 129 Ca 0.15 0.07 -0.11 0.00 -0.42 0.00 0.00 57.16 56.85 2aiv n GLU 129 Cb 0.44 -0.38 -0.09 0.00 -0.57 0.00 0.00 31.44 30.84 2aiv n GLU 129 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2aiv s SER 130 N -1.86 -0.65 -0.05 1.62 0.01 -0.87 -5.04 113.70 106.86 2aiv s SER 130 Ca 0.00 1.15 0.06 0.00 1.31 0.00 0.00 55.95 58.47 2aiv s SER 130 Cb 0.00 1.09 -0.01 0.00 0.21 0.00 0.00 66.02 67.31 2aiv s SER 130 CO 0.00 -0.20 -0.24 -0.47 0.41 0.00 0.00 173.24 172.74 2aiv s TYR 131 N 0.90 2.33 -0.24 2.43 6.14 -1.26 -2.02 117.35 125.62 2aiv s TYR 131 Ca -0.05 -0.69 -0.05 0.00 0.64 0.00 0.00 57.07 56.92 2aiv s TYR 131 Cb -0.05 -1.53 -0.01 0.00 0.42 0.00 0.00 41.96 40.79 2aiv s TYR 131 CO -0.08 -0.21 0.00 -0.51 0.64 0.00 0.00 175.55 175.40 2aiv s ASP 132 N -0.14 4.64 0.14 4.32 1.01 -0.30 -4.99 116.67 121.36 2aiv s ASP 132 Ca -0.03 -0.39 -0.10 0.00 0.71 0.00 0.00 52.55 52.73 2aiv s ASP 132 Cb -0.13 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 2aiv s ASP 132 CO 0.03 -0.05 1.47 0.00 0.21 0.00 0.00 175.17 176.83 2aiv h ALA 133 N 8.16 0.57 -0.93 5.23 0.00 -1.93 0.91 119.26 131.26 2aiv h ALA 133 Ca -0.39 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 2aiv h ALA 133 Cb 1.16 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2aiv h ALA 133 CO 0.59 0.68 0.57 -0.44 0.00 0.00 0.00 179.25 180.66 2aiv h ASP 134 N 0.73 1.11 0.00 0.00 3.45 -1.98 -3.12 116.42 116.62 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 1.01 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 2aiv h ASP 134 CO 0.10 0.85 -1.82 -1.20 -1.57 0.00 0.00 179.24 175.60 2aiv n SER 135 N -4.38 0.50 0.00 6.45 7.64 -1.22 -4.98 113.62 117.63 2aiv n SER 135 Ca 0.10 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2aiv n SER 135 Cb 0.05 1.83 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 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 1.38 0.61 3.71 0.23 0.00 0.31 -4.99 105.19 106.45 2aiv n GLY 136 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.57 4.06 -0.15 2.61 2.01 -1.11 -4.60 115.64 115.90 2aiv s THR 137 Ca 0.00 1.48 0.02 0.00 0.31 0.00 0.00 61.69 63.50 2aiv s THR 137 Cb 0.00 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.57 2aiv s THR 137 CO 0.00 0.12 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.36 2aiv s TYR 138 N 1.05 2.70 -0.16 4.92 5.04 -0.54 -1.15 117.35 129.22 2aiv s TYR 138 Ca 0.58 -1.42 0.02 0.00 -2.44 0.00 0.00 57.07 53.81 2aiv s TYR 138 Cb -0.29 -1.84 0.01 0.00 0.35 0.00 0.00 41.96 40.19 2aiv s TYR 138 CO 0.29 -0.66 -0.21 0.54 -1.34 0.00 0.00 175.55 174.17 2aiv s VAL 139 N 0.94 2.07 0.10 3.14 0.11 -0.86 -2.32 120.40 123.59 2aiv s VAL 139 Ca -0.04 -0.96 -0.11 0.00 -2.93 0.00 0.00 61.98 57.94 2aiv s VAL 139 Cb -0.15 -1.84 0.01 0.00 -1.53 0.00 0.00 36.38 32.87 2aiv s VAL 139 CO -0.05 0.55 0.25 0.72 -3.33 0.00 0.00 175.10 173.24 2aiv s PHE 140 N 1.01 0.05 -0.19 1.54 -0.71 -1.16 -1.53 117.98 116.99 2aiv s PHE 140 Ca -0.02 -0.44 -0.00 0.00 -1.04 0.00 0.00 56.93 55.42 2aiv s PHE 140 Cb -0.14 0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.71 2aiv s PHE 140 CO -0.06 -0.59 -0.15 0.96 -1.34 0.00 0.00 175.22 174.03 2aiv s ILE 141 N -3.84 2.45 -1.47 -4.49 -4.36 -0.71 -2.77 121.20 106.01 2aiv s ILE 141 Ca 0.04 -0.81 -0.12 0.00 -0.26 0.00 0.00 60.65 59.51 2aiv s ILE 141 Cb 0.04 -2.06 0.03 0.00 1.25 0.00 0.00 42.46 41.72 2aiv s ILE 141 CO -0.11 0.51 2.39 0.52 0.24 0.00 0.00 174.94 178.48 2aiv n VAL 142 N 4.62 3.94 -2.53 8.37 0.31 -1.25 -1.70 118.33 130.09 2aiv n VAL 142 Ca -0.20 -3.19 -0.42 0.00 -0.01 0.00 0.00 64.34 60.52 2aiv n VAL 142 Cb 0.50 -2.54 -0.03 0.00 -0.91 0.00 0.00 33.84 30.87 2aiv n VAL 142 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2aiv s ASN 143 N 2.38 6.32 0.24 4.52 -0.87 -1.25 -4.32 114.94 121.96 2aiv s ASN 143 Ca 0.53 0.06 -0.07 0.00 -1.57 0.00 0.00 52.86 51.81 2aiv s ASN 143 Cb 0.15 -2.55 0.22 0.00 -0.02 0.00 0.00 41.25 39.05 2aiv s ASN 143 CO -0.07 -1.60 1.88 -0.74 -2.57 0.00 0.00 177.10 174.00 2aiv h HIS 144 N 10.03 1.22 -0.97 2.20 -0.00 -1.87 -2.61 115.15 123.15 2aiv h HIS 144 Ca -0.26 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.12 2aiv h HIS 144 Cb 1.06 -0.40 -0.05 0.00 -0.00 0.00 0.00 27.41 28.03 2aiv h HIS 144 CO 1.05 0.81 0.64 0.00 -0.00 0.00 0.00 177.93 180.44 2aiv h ALA 145 N 1.30 1.23 -5.31 5.26 0.00 -1.95 -3.48 119.26 116.32 2aiv h ALA 145 Ca 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2aiv h ALA 145 Cb -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.35 2aiv h ALA 145 CO -0.06 0.61 -0.41 0.00 0.00 0.00 0.00 179.25 179.39 2aiv n ALA 146 N -2.37 -2.92 -0.36 0.00 0.00 -0.99 -4.90 120.51 108.98 2aiv n ALA 146 Ca 0.11 0.96 -0.03 0.00 0.00 0.00 0.00 53.44 54.49 2aiv n ALA 146 Cb 0.02 -3.37 0.10 0.00 0.00 0.00 0.00 19.45 16.20 2aiv n ALA 146 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2aiv h GLU 147 N 1.71 1.28 -6.94 0.00 4.81 -1.93 -3.42 114.58 110.09 2aiv h GLU 147 Ca -0.01 -0.09 -0.54 0.00 -0.13 0.00 0.00 59.36 58.60 2aiv h GLU 147 Cb 1.00 -0.28 0.10 0.00 0.63 0.00 0.00 28.75 30.20 2aiv h GLU 147 CO 0.22 0.86 0.77 -0.65 -0.73 0.00 0.00 179.01 179.48 2aiv s GLN 148 N -6.08 4.12 0.00 1.92 -0.21 -1.26 -5.29 119.66 112.85 2aiv s GLN 148 Ca -0.13 2.56 0.00 0.00 0.02 0.00 0.00 55.36 57.81 2aiv s GLN 148 Cb 0.17 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 31.21 2aiv s GLN 148 CO 0.82 -0.52 0.00 0.25 -2.12 0.00 0.00 175.29 173.72