#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 0.55 -2.73 1.61 -0.04 -1.26 -4.83 135.00 128.30 2aiv n PRO 2 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2aiv n PRO 2 Cb 0.00 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.71 7.63 -0.55 3.54 0.01 -1.26 -5.01 114.94 120.01 2aiv s ASN 3 Ca 0.00 1.97 -0.21 0.00 -0.71 0.00 0.00 52.86 53.91 2aiv s ASN 3 Cb 0.00 -2.61 0.06 0.00 0.41 0.00 0.00 41.25 39.11 2aiv s ASN 3 CO 0.00 0.14 0.77 -1.61 -1.51 0.00 0.00 177.10 174.89 2aiv s GLU 4 N -1.18 3.17 0.24 -0.60 2.02 -1.26 -4.91 118.70 116.18 2aiv s GLU 4 Ca 0.41 -0.75 -0.06 0.00 0.02 0.00 0.00 54.97 54.59 2aiv s GLU 4 Cb -0.26 -4.12 0.24 0.00 0.10 0.00 0.00 34.13 30.08 2aiv s GLU 4 CO 0.32 -1.42 1.85 -0.91 0.02 0.00 0.00 175.26 175.13 2aiv h ASN 5 N 9.19 1.10 -3.18 -0.19 -0.26 -1.97 -3.42 115.58 116.85 2aiv h ASN 5 Ca -0.27 -0.11 -0.68 0.00 -0.56 0.00 0.00 56.30 54.68 2aiv h ASN 5 Cb 1.08 -0.28 -0.13 0.00 -1.06 0.00 0.00 38.32 37.93 2aiv h ASN 5 CO 1.05 0.89 -0.59 -0.31 -1.06 0.00 0.00 177.43 177.40 2aiv s TYR 6 N -5.78 3.25 0.16 1.19 2.02 -1.26 -4.79 117.35 112.14 2aiv s TYR 6 Ca -0.12 0.26 0.09 0.00 -0.37 0.00 0.00 57.07 56.92 2aiv s TYR 6 Cb 0.17 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 2aiv s TYR 6 CO 0.83 0.53 -0.11 1.52 -1.57 0.00 0.00 175.55 176.74 2aiv s TYR 7 N -0.92 2.63 0.16 2.71 -0.85 -1.08 -5.02 117.35 114.98 2aiv s TYR 7 Ca 0.14 -0.22 0.05 0.00 -0.52 0.00 0.00 57.07 56.52 2aiv s TYR 7 Cb -0.11 -1.32 -0.04 0.00 0.38 0.00 0.00 41.96 40.86 2aiv s TYR 7 CO 0.03 0.48 -0.11 0.42 -1.52 0.00 0.00 175.55 174.84 2aiv s ILE 8 N -1.53 1.34 -0.67 -3.49 -1.09 -1.25 -3.14 121.20 111.37 2aiv s ILE 8 Ca 0.23 -2.09 0.06 0.00 -2.23 0.00 0.00 60.65 56.62 2aiv s ILE 8 Cb -0.09 -1.89 0.22 0.00 -1.58 0.00 0.00 42.46 39.12 2aiv s ILE 8 CO 0.14 -0.69 0.65 -0.24 -1.23 0.00 0.00 174.94 173.57 2aiv n SER 9 N -0.22 3.50 -4.61 3.58 2.88 0.25 -3.32 113.62 115.68 2aiv n SER 9 Ca -0.10 -3.36 -0.28 0.00 -1.33 0.00 0.00 58.87 53.80 2aiv n SER 9 Cb 0.60 -0.71 -0.03 0.00 -0.75 0.00 0.00 64.21 63.32 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 1.28 0.78 -0.74 -1.46 -0.04 -1.26 -3.45 135.00 130.10 2aiv n PRO 10 Ca 0.26 -3.40 -0.34 0.00 -0.04 0.00 0.00 63.50 59.99 2aiv n PRO 10 Cb 0.39 0.66 0.14 0.00 -0.04 0.00 0.00 33.50 34.65 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 -1.55 -2.54 -0.34 3.54 3.41 -1.21 -4.45 113.62 110.48 2aiv n SER 11 Ca -0.12 -0.07 -0.03 0.00 -0.26 0.00 0.00 58.87 58.40 2aiv n SER 11 Cb 0.60 -0.89 0.09 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.83 1.07 -0.27 1.04 3.38 -1.95 -0.10 115.31 116.66 2aiv h LEU 12 Ca -0.50 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 2aiv h LEU 12 Cb 1.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2aiv h LEU 12 CO 0.35 0.80 0.09 -0.78 0.09 0.00 0.00 178.44 178.99 2aiv h ASP 13 N 1.24 0.39 -0.91 -0.43 -0.00 -1.94 -2.16 116.42 112.62 2aiv h ASP 13 Ca 0.33 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.03 57.15 2aiv h ASP 13 Cb -0.10 -0.10 -0.04 0.00 -0.00 0.00 0.00 39.33 39.09 2aiv h ASP 13 CO -0.07 0.48 0.52 0.74 -0.00 0.00 0.00 179.24 180.91 2aiv h THR 14 N 0.27 1.26 -0.84 2.25 2.02 -1.78 -2.42 112.91 113.67 2aiv h THR 14 Ca 0.09 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2aiv h THR 14 Cb 0.23 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 2aiv h THR 14 CO -0.00 0.28 0.47 0.25 0.37 0.00 0.00 175.52 176.89 2aiv h LEU 15 N 1.26 1.04 -2.26 2.58 5.85 -0.80 -1.53 115.31 121.45 2aiv h LEU 15 Ca 0.32 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2aiv h LEU 15 Cb -0.01 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 2aiv h LEU 15 CO -0.06 0.83 -0.05 0.77 -0.34 0.00 0.00 178.44 179.59 2aiv h SER 16 N 1.16 0.00 0.25 1.25 4.64 -0.89 0.84 113.55 120.81 2aiv h SER 16 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2aiv h SER 16 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2aiv h SER 16 CO -0.05 0.05 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2aiv n SER 17 N -3.71 0.00 -4.67 4.97 7.64 -0.57 -4.79 113.62 112.48 2aiv n SER 17 Ca -0.02 0.01 -0.31 0.00 1.01 0.00 0.00 58.87 59.55 2aiv n SER 17 Cb 0.15 -0.25 0.17 0.00 -1.01 0.00 0.00 64.21 63.26 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 -2.51 1.60 0.91 1.43 1.51 0.29 -5.02 117.35 115.57 2aiv s TYR 18 Ca 0.15 1.80 -0.14 0.00 -1.01 0.00 0.00 57.07 57.87 2aiv s TYR 18 Cb 0.10 -3.35 0.15 0.00 -0.11 0.00 0.00 41.96 38.76 2aiv s TYR 18 CO 0.22 -2.82 1.24 -1.12 -1.11 0.00 0.00 175.55 171.96 2aiv s SER 19 N -2.66 3.56 0.11 2.29 0.01 -1.26 -4.69 113.70 111.05 2aiv s SER 19 Ca 0.67 0.54 -0.21 0.00 1.31 0.00 0.00 55.95 58.26 2aiv s SER 19 Cb -0.23 -0.82 -0.10 0.00 0.21 0.00 0.00 66.02 65.09 2aiv s SER 19 CO 0.58 -2.48 1.75 -0.07 0.41 0.00 0.00 173.24 173.43 2aiv h LEU 20 N -1.46 0.06 -0.35 2.44 3.38 -1.97 0.28 115.31 117.69 2aiv h LEU 20 Ca -0.46 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.37 2aiv h LEU 20 Cb 1.28 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2aiv h LEU 20 CO 0.51 0.05 -0.38 0.25 0.09 0.00 0.00 178.44 178.95 2aiv h LEU 21 N 0.10 0.94 -0.78 1.67 6.46 -2.00 -3.06 115.31 118.64 2aiv h LEU 21 Ca 0.04 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2aiv h LEU 21 Cb 0.02 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.65 2aiv h LEU 21 CO -0.04 1.22 0.45 -0.61 -0.62 0.00 0.00 178.44 178.84 2aiv h GLN 22 N 0.67 1.07 -0.84 1.25 5.75 -1.79 -2.45 115.11 118.76 2aiv h GLN 22 Ca 0.05 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2aiv h GLN 22 Cb 0.97 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.27 2aiv h GLN 22 CO 0.09 0.77 0.48 -0.07 -2.65 0.00 0.00 178.83 177.46 2aiv h LEU 23 N 1.07 1.03 -1.62 -2.39 3.38 -0.44 -1.96 115.31 114.38 2aiv h LEU 23 Ca 0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2aiv h LEU 23 Cb -0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2aiv h LEU 23 CO -0.05 0.81 -0.11 0.03 0.09 0.00 0.00 178.44 179.22 2aiv h ARG 24 N 1.17 0.00 -2.60 1.13 3.08 -1.35 -1.73 114.38 114.08 2aiv h ARG 24 Ca 0.30 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.80 2aiv h ARG 24 Cb -0.01 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.65 2aiv h ARG 24 CO -0.05 0.11 -0.82 0.21 -1.07 0.00 0.00 179.97 178.35 2aiv s LYS 25 N -3.85 0.43 -0.80 0.04 2.20 -0.74 -3.57 119.74 113.45 2aiv s LYS 25 Ca -0.01 -1.03 -0.25 0.00 -0.36 0.00 0.00 55.97 54.32 2aiv s LYS 25 Cb 0.11 -1.21 -0.03 0.00 -1.51 0.00 0.00 37.83 35.20 2aiv s LYS 25 CO 0.57 -1.15 1.84 0.08 -0.36 0.00 0.00 175.35 176.33 2aiv s VAL 26 N 1.44 3.47 0.00 4.02 1.01 -1.14 -4.74 120.40 124.46 2aiv s VAL 26 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2aiv s VAL 26 Cb -0.20 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2aiv s VAL 26 CO -0.12 -1.07 0.13 -0.81 0.00 0.00 0.00 175.10 173.24 2aiv n PRO 27 N 9.00 0.00 -3.16 2.72 -0.04 -1.26 -4.23 135.00 138.03 2aiv n PRO 27 Ca 0.31 0.05 -0.45 0.00 -0.04 0.00 0.00 63.50 63.37 2aiv n PRO 27 Cb 0.49 -0.63 -0.05 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.26 3.05 -0.18 0.54 5.65 -1.26 -4.42 115.29 118.41 2aiv s HIS 28 Ca 0.00 -0.95 -0.04 0.00 0.25 0.00 0.00 55.06 54.32 2aiv s HIS 28 Cb 0.00 -3.87 -0.02 0.00 -1.18 0.00 0.00 32.58 27.50 2aiv s HIS 28 CO 0.00 -1.19 -0.03 -1.17 -0.65 0.00 0.00 174.74 171.70 2aiv s LEU 29 N 2.46 3.20 -0.18 8.88 2.96 -1.05 -4.65 118.68 130.30 2aiv s LEU 29 Ca 0.10 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2aiv s LEU 29 Cb -0.24 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.68 2aiv s LEU 29 CO 0.07 0.11 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.32 2aiv s VAL 30 N 0.70 2.10 -0.06 1.68 1.01 -1.22 -0.73 120.40 123.87 2aiv s VAL 30 Ca -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2aiv s VAL 30 Cb -0.14 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.37 2aiv s VAL 30 CO 0.02 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 2aiv s VAL 31 N 1.29 0.97 -0.06 2.92 1.01 0.70 -0.58 120.40 126.65 2aiv s VAL 31 Ca 0.05 -0.38 -0.32 0.00 0.00 0.00 0.00 61.98 61.33 2aiv s VAL 31 Cb -0.13 -0.91 0.14 0.00 0.00 0.00 0.00 36.38 35.48 2aiv s VAL 31 CO -0.13 0.32 1.37 -0.83 0.00 0.00 0.00 175.10 175.83 2aiv s GLY 32 N 0.71 -0.46 -0.32 4.51 0.00 -1.19 -0.48 107.32 110.09 2aiv s GLY 32 Ca -0.14 0.85 0.12 0.00 0.00 0.00 0.00 44.72 45.55 2aiv s GLY 32 CO 0.03 0.15 1.12 1.57 0.00 0.00 0.00 173.10 175.97 2aiv n HIS 33 N -0.49 2.33 0.00 1.90 -0.00 -1.12 -2.64 115.22 115.18 2aiv n HIS 33 Ca -0.09 -2.47 0.00 0.00 0.46 0.00 0.00 57.72 55.62 2aiv n HIS 33 Cb 0.63 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.24 2aiv n HIS 33 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2aiv n LYS 34 N -0.55 0.00 -0.33 1.57 2.85 -1.26 -1.70 118.16 118.74 2aiv n LYS 34 Ca 0.29 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.53 2aiv n LYS 34 Cb 0.84 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 35.32 2aiv n LYS 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2aiv h SER 35 N 0.00 0.99 -0.82 -5.58 0.02 -1.98 -2.65 113.55 103.54 2aiv h SER 35 Ca 0.00 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2aiv h SER 35 Cb 0.00 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 2aiv h SER 35 CO 0.00 0.70 0.37 1.88 -1.14 0.00 0.00 176.83 178.64 2aiv h TYR 36 N 1.17 1.22 0.00 3.45 -1.99 -1.75 -3.45 116.97 115.62 2aiv h TYR 36 Ca 0.34 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 61.00 2aiv h TYR 36 Cb -0.08 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.28 2aiv h TYR 36 CO -0.01 0.89 0.00 0.41 -0.00 0.00 0.00 178.16 179.45 2aiv n GLY 37 N -0.96 4.80 3.70 3.88 0.00 -1.00 -4.12 105.19 111.50 2aiv n GLY 37 Ca 0.08 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.38 4.14 -0.01 1.61 1.02 -1.12 -2.81 119.74 118.19 2aiv s LYS 38 Ca 0.00 -0.24 0.04 0.00 0.02 0.00 0.00 55.97 55.79 2aiv s LYS 38 Cb 0.00 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2aiv s LYS 38 CO 0.00 0.20 -0.13 -1.50 -0.92 0.00 0.00 175.35 173.00 2aiv s ILE 39 N 0.64 1.02 -0.02 2.17 2.07 0.37 -2.34 121.20 125.12 2aiv s ILE 39 Ca 0.08 -0.56 0.08 0.00 -1.41 0.00 0.00 60.65 58.84 2aiv s ILE 39 Cb -0.12 -0.85 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2aiv s ILE 39 CO 0.01 0.28 -0.26 -1.61 -1.91 0.00 0.00 174.94 171.45 2aiv s GLU 40 N -0.32 2.12 -0.12 3.50 2.02 -0.61 -0.22 118.70 125.08 2aiv s GLU 40 Ca 0.05 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.13 2aiv s GLU 40 Cb -0.05 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.13 2aiv s GLU 40 CO -0.00 0.56 -0.19 -0.06 0.02 0.00 0.00 175.26 175.58 2aiv s PHE 41 N -0.60 2.68 -1.07 1.61 0.40 0.09 -0.83 117.98 120.25 2aiv s PHE 41 Ca 0.10 -0.88 0.17 0.00 -0.60 0.00 0.00 56.93 55.72 2aiv s PHE 41 Cb -0.10 -1.77 0.63 0.00 0.51 0.00 0.00 43.02 42.28 2aiv s PHE 41 CO -0.01 -0.34 1.54 1.28 0.70 0.00 0.00 175.22 178.39 2aiv n LEU 42 N 3.55 4.31 -4.67 -0.37 4.32 -1.08 -2.54 117.00 120.52 2aiv n LEU 42 Ca -0.19 -2.40 -0.29 0.00 -0.02 0.00 0.00 56.01 53.12 2aiv n LEU 42 Cb 0.53 -0.51 0.17 0.00 -1.62 0.00 0.00 43.42 41.99 2aiv n LEU 42 CO 0.29 0.80 0.64 -1.61 -1.22 0.00 0.00 177.39 176.30 2aiv s GLU 43 N -1.74 0.59 -0.94 3.23 2.02 -1.26 -4.82 118.70 115.78 2aiv s GLU 43 Ca 0.46 0.65 -0.02 0.00 0.02 0.00 0.00 54.97 56.08 2aiv s GLU 43 Cb 0.29 -1.74 0.26 0.00 0.10 0.00 0.00 34.13 33.04 2aiv s GLU 43 CO 0.22 -2.66 1.02 -0.35 0.02 0.00 0.00 175.26 173.52 2aiv n PRO 44 N -4.15 3.27 -0.65 0.39 -0.04 -1.12 -2.87 135.00 129.83 2aiv n PRO 44 Ca 0.06 -4.53 -0.29 0.00 -0.04 0.00 0.00 63.50 58.69 2aiv n PRO 44 Cb 0.56 -2.43 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 2aiv n PRO 44 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2aiv n VAL 45 N 1.81 1.16 -1.65 0.52 0.31 -1.21 -4.23 118.33 115.04 2aiv n VAL 45 Ca 0.25 -0.85 -0.52 0.00 -0.01 0.00 0.00 64.34 63.21 2aiv n VAL 45 Cb 0.37 -2.03 -0.06 0.00 -0.91 0.00 0.00 33.84 31.21 2aiv n VAL 45 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2aiv n ASP 46 N 6.50 2.84 -0.92 4.52 3.85 -0.67 -4.54 116.55 128.14 2aiv n ASP 46 Ca 0.37 0.90 0.12 0.00 -0.71 0.00 0.00 54.79 55.47 2aiv n ASP 46 Cb 0.25 -1.27 0.09 0.00 -1.35 0.00 0.00 41.12 38.84 2aiv n ASP 46 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2aiv n LEU 47 N 6.87 2.92 -0.36 -2.12 7.94 -1.11 -4.07 117.00 127.07 2aiv n LEU 47 Ca 0.27 -0.98 -0.03 0.00 -1.11 0.00 0.00 56.01 54.17 2aiv n LEU 47 Cb 0.23 -0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.28 2aiv n LEU 47 CO 0.77 0.49 1.26 0.00 -1.11 0.00 0.00 177.39 178.80 2aiv h ALA 48 N 4.64 1.23 0.00 1.96 0.00 -1.88 -3.40 119.26 121.81 2aiv h ALA 48 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2aiv h ALA 48 Cb 0.98 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2aiv h ALA 48 CO 0.00 0.65 -0.11 0.41 0.00 0.00 0.00 179.25 180.20 2aiv n GLY 49 N -1.31 -0.17 3.56 0.00 0.00 -1.26 -4.93 105.19 101.07 2aiv n GLY 49 Ca 0.11 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2aiv n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aiv s ILE 50 N -1.37 3.45 -0.09 -0.61 -4.36 -1.26 -4.86 121.20 112.11 2aiv s ILE 50 Ca -0.03 -0.23 0.01 0.00 -0.26 0.00 0.00 60.65 60.14 2aiv s ILE 50 Cb 0.00 -4.05 0.12 0.00 1.25 0.00 0.00 42.46 39.78 2aiv s ILE 50 CO 0.05 -1.00 1.23 -0.81 0.24 0.00 0.00 174.94 174.65 2aiv n PRO 51 N 8.95 1.24 -0.34 0.37 -0.04 -1.26 -4.29 135.00 139.63 2aiv n PRO 51 Ca 0.34 -0.57 -0.03 0.00 -0.04 0.00 0.00 63.50 63.20 2aiv n PRO 51 Cb 0.48 -1.22 0.10 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.12 1.12 -2.00 1.53 5.85 -1.93 -2.19 115.31 118.82 2aiv h LEU 52 Ca 0.12 -0.09 0.30 0.00 0.84 0.00 0.00 57.88 59.05 2aiv h LEU 52 Cb 1.33 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2aiv h LEU 52 CO 0.21 0.88 0.75 0.00 -0.34 0.00 0.00 178.44 179.95 2aiv h THR 53 N 1.27 0.47 -0.64 1.05 1.03 -1.96 0.19 112.91 114.33 2aiv h THR 53 Ca 0.32 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.72 2aiv h THR 53 Cb -0.01 0.48 -0.03 0.00 -1.07 0.00 0.00 68.15 67.52 2aiv h THR 53 CO -0.06 0.00 0.40 0.77 -0.01 0.00 0.00 175.52 176.62 2aiv h SER 54 N 0.00 0.75 -0.88 0.00 4.64 -1.74 -2.02 113.55 114.30 2aiv h SER 54 Ca 0.49 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.77 2aiv h SER 54 Cb 1.99 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.85 2aiv h SER 54 CO -0.01 0.57 0.52 -0.07 -0.87 0.00 0.00 176.83 176.97 2aiv h LEU 55 N 0.87 1.07 0.00 5.97 3.38 -0.76 -3.49 115.31 122.35 2aiv h LEU 55 Ca 0.23 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2aiv h LEU 55 Cb -0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.42 2aiv h LEU 55 CO -0.05 0.84 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2aiv n GLY 56 N -1.19 -2.80 4.48 0.83 0.00 -0.76 -4.73 105.19 101.02 2aiv n GLY 56 Ca 0.09 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.25 1.56 0.10 -0.02 0.00 -1.26 -4.73 105.19 100.58 2aiv n GLY 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.25 -0.36 1.61 2.07 -1.88 -3.20 116.25 115.75 2aiv h VAL 58 Ca 0.00 -0.81 -0.17 0.00 0.82 0.00 0.00 66.70 66.54 2aiv h VAL 58 Cb 0.00 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2aiv h VAL 58 CO 0.00 0.23 -0.42 0.40 0.02 0.00 0.00 177.57 177.80 2aiv h ILE 59 N -0.07 1.27 -3.31 4.57 2.04 -1.85 -3.43 117.51 116.74 2aiv h ILE 59 Ca 0.03 -1.60 -0.67 0.00 1.00 0.00 0.00 64.86 63.62 2aiv h ILE 59 Cb 0.36 1.45 -0.32 0.00 -0.74 0.00 0.00 36.82 37.57 2aiv h ILE 59 CO 0.01 0.53 -0.86 -0.51 0.00 0.00 0.00 178.15 177.32 2aiv s ILE 60 N -4.33 2.24 -0.10 -0.67 -1.16 -1.21 -4.62 121.20 111.36 2aiv s ILE 60 Ca -0.11 -0.95 0.04 0.00 -0.51 0.00 0.00 60.65 59.12 2aiv s ILE 60 Cb 0.11 -1.88 -0.00 0.00 0.61 0.00 0.00 42.46 41.30 2aiv s ILE 60 CO 0.88 0.55 -0.24 -0.89 -2.81 0.00 0.00 174.94 172.43 2aiv s THR 61 N 0.45 2.06 -0.29 4.00 2.01 -1.23 -4.31 115.64 118.32 2aiv s THR 61 Ca -0.15 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.85 2aiv s THR 61 Cb -0.17 -1.78 0.08 0.00 0.01 0.00 0.00 72.50 70.65 2aiv s THR 61 CO 0.06 0.56 0.01 0.12 -0.69 0.00 0.00 174.62 174.68 2aiv s PHE 62 N 0.34 2.92 0.21 4.92 5.36 -1.26 -2.72 117.98 127.75 2aiv s PHE 62 Ca -0.19 -2.32 -0.30 0.00 -0.96 0.00 0.00 56.93 53.17 2aiv s PHE 62 Cb -0.18 -2.18 -0.08 0.00 -0.34 0.00 0.00 43.02 40.24 2aiv s PHE 62 CO 0.09 -0.88 0.93 -1.21 -1.46 0.00 0.00 175.22 172.69 2aiv s GLU 63 N 1.20 4.81 -0.35 10.12 2.02 0.12 -4.92 118.70 131.71 2aiv s GLU 63 Ca 0.03 1.46 -0.04 0.00 0.02 0.00 0.00 54.97 56.44 2aiv s GLU 63 Cb -0.19 -3.30 -0.12 0.00 0.10 0.00 0.00 34.13 30.62 2aiv s GLU 63 CO -0.10 0.47 2.32 -0.35 0.02 0.00 0.00 175.26 177.61 2aiv n PRO 64 N 1.73 1.57 0.00 0.39 -0.04 -1.26 -1.81 135.00 135.58 2aiv n PRO 64 Ca -0.01 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 2aiv n PRO 64 Cb 0.48 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 3.21 0.00 -3.98 0.54 4.81 -1.26 -5.07 118.16 116.41 2aiv n LYS 65 Ca 0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.69 2aiv n LYS 65 Cb 0.41 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.35 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 0.11 -0.10 3.15 2.01 -0.75 -5.00 115.64 115.06 2aiv s THR 66 Ca 0.00 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.12 2aiv s THR 66 Cb 0.00 -0.27 -0.00 0.00 0.01 0.00 0.00 72.50 72.24 2aiv s THR 66 CO 0.00 -0.50 -0.24 0.00 -0.69 0.00 0.00 174.62 173.19 2aiv s ILE 68 N 0.34 2.35 -0.13 0.00 -1.09 -1.10 -4.98 121.20 116.58 2aiv s ILE 68 Ca -0.19 -0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 56.96 2aiv s ILE 68 Cb -0.18 -2.08 -0.26 0.00 -1.58 0.00 0.00 42.46 38.35 2aiv s ILE 68 CO 0.09 0.40 0.78 0.40 -1.23 0.00 0.00 174.94 175.38 2aiv h ILE 69 N 6.05 1.78 -0.70 2.92 2.04 -1.94 -3.27 117.51 124.39 2aiv h ILE 69 Ca -0.40 -2.36 -0.00 0.00 1.00 0.00 0.00 64.86 63.10 2aiv h ILE 69 Cb 1.12 3.39 -0.03 0.00 -0.74 0.00 0.00 36.82 40.56 2aiv h ILE 69 CO 0.60 0.62 0.43 0.10 0.00 0.00 0.00 178.15 179.90 2aiv h TYR 70 N -0.96 0.92 0.00 1.37 -0.00 -1.95 -3.45 116.97 112.89 2aiv h TYR 70 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.72 2aiv h TYR 70 Cb 1.04 -0.30 0.00 0.00 0.00 0.00 0.00 36.73 37.46 2aiv h TYR 70 CO 0.28 0.61 0.00 0.00 -0.00 0.00 0.00 178.16 179.05 2aiv n ALA 71 N -2.32 0.00 1.17 0.10 0.00 -1.26 -3.38 120.51 114.84 2aiv n ALA 71 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.64 2aiv n ALA 71 Cb 0.05 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.17 2aiv n ALA 71 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2aiv n ASN 72 N 0.91 0.00 -4.56 0.00 6.94 -1.26 -4.74 115.26 112.56 2aiv n ASN 72 Ca 0.00 0.21 -0.29 0.00 -0.02 0.00 0.00 54.58 54.48 2aiv n ASN 72 Cb 0.00 -0.40 -0.05 0.00 -2.36 0.00 0.00 39.78 36.97 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2aiv s LEU 73 N -2.81 3.19 -0.40 -4.53 2.01 -1.22 -4.85 118.68 110.07 2aiv s LEU 73 Ca 0.20 -0.38 0.01 0.00 0.01 0.00 0.00 54.13 53.97 2aiv s LEU 73 Cb 0.19 -2.55 0.43 0.00 0.01 0.00 0.00 46.19 44.27 2aiv s LEU 73 CO 0.49 -2.71 1.83 -0.81 1.01 0.00 0.00 176.35 176.17 2aiv n PRO 74 N 8.94 2.07 0.00 1.29 -0.04 -1.26 -4.73 135.00 141.26 2aiv n PRO 74 Ca 0.36 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 2aiv n PRO 74 Cb 0.48 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 -0.53 0.00 0.00 3.54 5.03 -1.26 -5.12 115.26 116.91 2aiv n ASN 75 Ca 0.45 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.90 2aiv n ASN 75 Cb 1.05 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.81 2aiv n ASN 75 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2aiv n ARG 76 N 0.00 0.00 -0.58 3.52 0.63 -1.26 -4.97 116.66 113.99 2aiv n ARG 76 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 2aiv n ARG 76 Cb 0.00 0.00 0.07 0.00 0.45 0.00 0.00 32.46 32.98 2aiv n ARG 76 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2aiv n PRO 77 N 0.00 1.56 -1.20 -0.14 -0.04 -1.26 -4.29 135.00 129.63 2aiv n PRO 77 Ca 0.00 -1.27 -0.21 0.00 -0.04 0.00 0.00 63.50 61.98 2aiv n PRO 77 Cb 0.00 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.03 2.34 -1.82 0.54 4.76 -1.26 -5.02 118.16 117.67 2aiv n LYS 78 Ca 0.25 -3.21 -0.41 0.00 -2.87 0.00 0.00 58.31 52.07 2aiv n LYS 78 Cb 0.89 -2.12 -0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2aiv n LYS 78 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2aiv s ARG 79 N -3.43 4.12 0.00 1.97 0.52 -1.26 -4.92 118.95 115.95 2aiv s ARG 79 Ca 0.55 2.56 0.00 0.00 -0.52 0.00 0.00 55.73 58.32 2aiv s ARG 79 Cb 0.46 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.96 2aiv s ARG 79 CO 0.05 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.26 2aiv n GLY 80 N 0.49 4.46 3.80 -3.53 0.00 -1.26 -5.12 105.19 104.02 2aiv n GLY 80 Ca 0.01 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 2aiv n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aiv s GLU 81 N 2.12 3.26 0.00 1.61 2.12 -1.26 -4.34 118.70 122.21 2aiv s GLU 81 Ca 0.00 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.08 2aiv s GLU 81 Cb 0.00 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.36 2aiv s GLU 81 CO 0.00 0.74 0.00 0.41 -0.54 0.00 0.00 175.26 175.87 2aiv n GLY 82 N 2.06 0.67 3.39 -1.50 0.00 -1.26 -4.90 105.19 103.66 2aiv n GLY 82 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.54 4.57 -0.28 -0.61 -4.36 -1.26 -2.80 121.20 113.91 2aiv s ILE 83 Ca 0.00 -0.72 -0.06 0.00 -0.26 0.00 0.00 60.65 59.62 2aiv s ILE 83 Cb 0.00 -3.48 0.01 0.00 1.25 0.00 0.00 42.46 40.24 2aiv s ILE 83 CO 0.00 -0.13 0.05 0.21 0.24 0.00 0.00 174.94 175.30 2aiv s ASN 84 N 1.57 4.93 0.00 4.36 2.47 -1.26 -4.92 114.94 122.09 2aiv s ASN 84 Ca 0.03 -0.73 0.00 0.00 0.42 0.00 0.00 52.86 52.58 2aiv s ASN 84 Cb -0.18 -1.83 0.00 0.00 -1.45 0.00 0.00 41.25 37.79 2aiv s ASN 84 CO 0.06 -0.17 0.44 0.52 -3.72 0.00 0.00 177.10 174.23 2aiv n VAL 85 N 4.82 0.00 -1.64 -5.21 0.31 -1.26 -4.01 118.33 111.34 2aiv n VAL 85 Ca -0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.77 2aiv n VAL 85 Cb 0.48 -0.93 -0.01 0.00 -0.91 0.00 0.00 33.84 32.46 2aiv n VAL 85 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2aiv n ARG 86 N -0.93 3.37 -4.22 5.55 0.63 -1.26 -3.42 116.66 116.37 2aiv n ARG 86 Ca 0.00 -2.59 -0.14 0.00 -0.92 0.00 0.00 57.85 54.20 2aiv n ARG 86 Cb 0.00 -3.03 -0.10 0.00 0.45 0.00 0.00 32.46 29.78 2aiv n ARG 86 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2aiv s ALA 87 N 2.26 1.31 -0.11 5.13 0.00 -1.26 -2.64 121.76 126.45 2aiv s ALA 87 Ca 0.56 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2aiv s ALA 87 Cb 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 2aiv s ALA 87 CO -0.07 -0.08 -0.03 1.03 0.00 0.00 0.00 175.76 176.62 2aiv s ARG 88 N -3.39 3.23 -0.18 0.00 0.52 -0.01 -3.29 118.95 115.83 2aiv s ARG 88 Ca 0.12 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.86 2aiv s ARG 88 Cb 0.01 -2.81 0.02 0.00 0.52 0.00 0.00 34.95 32.68 2aiv s ARG 88 CO 0.00 0.50 -0.19 0.42 0.02 0.00 0.00 175.30 176.05 2aiv s ILE 89 N -0.35 2.11 -0.10 1.52 1.01 -1.00 -1.57 121.20 122.82 2aiv s ILE 89 Ca 0.06 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.83 2aiv s ILE 89 Cb -0.12 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.46 2aiv s ILE 89 CO 0.02 0.54 -0.24 -0.89 0.00 0.00 0.00 174.94 174.37 2aiv s THR 90 N 1.29 2.03 0.07 2.92 2.01 -0.99 -3.44 115.64 119.53 2aiv s THR 90 Ca 0.05 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 2aiv s THR 90 Cb -0.13 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 2aiv s THR 90 CO -0.12 0.55 0.06 0.00 -0.69 0.00 0.00 174.62 174.42 2aiv s PHE 92 N -3.89 3.46 -1.23 0.00 -0.71 -1.26 -4.18 117.98 110.18 2aiv s PHE 92 Ca 0.06 0.08 -0.01 0.00 -1.04 0.00 0.00 56.93 56.02 2aiv s PHE 92 Cb 0.07 -1.65 0.00 0.00 -1.21 0.00 0.00 43.02 40.23 2aiv s PHE 92 CO -0.10 0.39 1.01 0.09 -1.34 0.00 0.00 175.22 175.27 2aiv n ASN 93 N -1.32 -2.56 -0.30 1.98 3.02 -1.26 -4.84 115.26 109.98 2aiv n ASN 93 Ca -0.08 -0.62 -0.01 0.00 -0.03 0.00 0.00 54.58 53.84 2aiv n ASN 93 Cb 0.56 -5.06 0.17 0.00 -0.61 0.00 0.00 39.78 34.84 2aiv n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aiv s TYR 95 N -5.95 1.28 -0.75 0.00 5.04 -1.26 -4.91 117.35 110.79 2aiv s TYR 95 Ca -0.12 1.33 0.01 0.00 -2.44 0.00 0.00 57.07 55.85 2aiv s TYR 95 Cb 0.18 -3.74 0.18 0.00 0.35 0.00 0.00 41.96 38.93 2aiv s TYR 95 CO 0.80 -2.38 0.58 -1.25 -1.34 0.00 0.00 175.55 171.96 2aiv s PRO 96 N 7.90 2.75 0.31 4.97 0.04 -1.26 -4.98 135.00 144.73 2aiv s PRO 96 Ca 0.87 -3.13 0.00 0.00 0.04 0.00 0.00 61.00 58.78 2aiv s PRO 96 Cb -0.15 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.72 2aiv s PRO 96 CO 0.22 -1.24 0.00 1.55 0.04 0.00 0.00 177.00 177.57 2aiv n VAL 97 N 2.45 -1.02 -3.00 -0.36 3.14 -1.26 -4.73 118.33 113.54 2aiv n VAL 97 Ca 0.17 0.62 -0.43 0.00 -2.96 0.00 0.00 64.34 61.74 2aiv n VAL 97 Cb 0.36 -1.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.08 2aiv n VAL 97 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2aiv s ASP 98 N -5.37 6.38 0.55 6.55 3.68 0.64 -4.91 116.67 124.17 2aiv s ASP 98 Ca 0.00 -0.22 0.33 0.00 2.13 0.00 0.00 52.55 54.79 2aiv s ASP 98 Cb 0.00 -2.37 1.41 0.00 -1.45 0.00 0.00 42.92 40.51 2aiv s ASP 98 CO 0.00 -0.90 2.00 0.07 0.13 0.00 0.00 175.17 176.47 2aiv h LYS 99 N 8.97 0.00 -0.85 4.34 2.10 -1.85 0.25 116.57 129.53 2aiv h LYS 99 Ca -0.25 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.41 2aiv h LYS 99 Cb 1.09 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.38 2aiv h LYS 99 CO 0.95 0.03 0.56 0.77 -2.00 0.00 0.00 179.45 179.76 2aiv h SER 100 N 0.00 0.99 0.00 7.07 0.02 -1.91 -3.23 113.55 116.49 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 0.49 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2aiv h SER 100 CO 0.00 0.72 0.00 0.35 -1.14 0.00 0.00 176.83 176.76 2aiv n THR 101 N -4.48 0.60 0.00 -2.27 -2.24 -1.19 -4.98 114.28 99.72 2aiv n THR 101 Ca 0.09 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2aiv n THR 101 Cb 0.02 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.30 0.00 -1.83 -0.78 1.74 0.86 -4.94 116.66 111.40 2aiv n ARG 102 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 2aiv n ARG 102 Cb 0.29 -1.40 -0.00 0.00 -1.02 0.00 0.00 32.46 30.33 2aiv n ARG 102 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2aiv s LYS 103 N 0.00 4.13 0.53 5.56 1.02 -1.15 -4.45 119.74 125.38 2aiv s LYS 103 Ca 0.00 2.55 0.04 0.00 0.02 0.00 0.00 55.97 58.57 2aiv s LYS 103 Cb 0.00 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 2aiv s LYS 103 CO 0.00 -0.51 0.26 -1.25 -0.92 0.00 0.00 175.35 172.94 2aiv s PRO 104 N -2.07 2.24 -0.18 -1.68 0.04 -1.26 -0.26 135.00 131.82 2aiv s PRO 104 Ca 0.52 -2.15 0.01 0.00 0.04 0.00 0.00 61.00 59.42 2aiv s PRO 104 Cb -0.46 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.20 2aiv s PRO 104 CO 0.62 -0.53 -0.20 0.42 0.04 0.00 0.00 177.00 177.35 2aiv s ILE 105 N -2.81 2.06 -0.31 0.56 1.01 -1.26 -4.81 121.20 115.64 2aiv s ILE 105 Ca 0.24 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 60.04 2aiv s ILE 105 Cb -0.01 -1.86 0.55 0.00 0.01 0.00 0.00 42.46 41.15 2aiv s ILE 105 CO 0.15 0.54 1.55 0.29 0.00 0.00 0.00 174.94 177.47 2aiv n LYS 106 N 4.59 2.07 -3.92 2.79 5.02 -1.26 -4.85 118.16 122.60 2aiv n LYS 106 Ca -0.21 -3.12 -0.08 0.00 -2.02 0.00 0.00 58.31 52.87 2aiv n LYS 106 Cb 0.50 -1.90 -0.08 0.00 -0.02 0.00 0.00 35.03 33.53 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 -2.22 0.22 -0.06 4.39 1.11 -1.26 -5.05 116.67 113.80 2aiv s ASP 107 Ca 0.47 -0.74 -0.05 0.00 0.18 0.00 0.00 52.55 52.41 2aiv s ASP 107 Cb 0.41 0.30 -0.17 0.00 1.07 0.00 0.00 42.92 44.54 2aiv s ASP 107 CO 0.03 -0.69 3.20 -0.81 1.18 0.00 0.00 175.17 178.08 2aiv n PRO 108 N -0.01 1.87 -3.81 8.23 -0.04 -1.26 -4.83 135.00 135.16 2aiv n PRO 108 Ca -0.15 -1.01 -0.37 0.00 -0.04 0.00 0.00 63.50 61.94 2aiv n PRO 108 Cb 0.62 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 1.74 4.94 -0.63 3.54 0.01 -1.26 -4.99 114.94 118.29 2aiv s ASN 109 Ca 0.54 -0.71 -0.06 0.00 -0.71 0.00 0.00 52.86 51.91 2aiv s ASN 109 Cb 0.27 -1.83 -0.13 0.00 0.41 0.00 0.00 41.25 39.97 2aiv s ASN 109 CO -0.03 -0.17 2.59 1.41 -1.51 0.00 0.00 177.10 179.40 2aiv n HIS 110 N 4.83 0.93 -0.37 2.20 8.25 -1.26 -4.53 115.22 125.27 2aiv n HIS 110 Ca -0.15 -1.78 -0.03 0.00 -0.26 0.00 0.00 57.72 55.50 2aiv n HIS 110 Cb 0.48 -1.65 0.10 0.00 1.12 0.00 0.00 29.99 30.05 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 4.88 1.31 0.00 -0.41 4.20 -1.95 -3.26 115.11 119.88 2aiv h GLN 111 Ca 0.40 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2aiv h GLN 111 Cb 0.63 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2aiv h GLN 111 CO 0.98 0.89 -0.18 1.47 -0.67 0.00 0.00 178.83 181.32 2aiv n LEU 112 N -4.36 0.91 -0.27 1.46 -0.00 -1.26 -4.83 117.00 108.64 2aiv n LEU 112 Ca 0.11 -1.44 -0.05 0.00 -0.00 0.00 0.00 56.01 54.63 2aiv n LEU 112 Cb 0.04 -0.11 0.06 0.00 -0.00 0.00 0.00 43.42 43.41 2aiv n LEU 112 CO 0.38 0.35 1.13 0.58 -0.00 0.00 0.00 177.39 179.82 2aiv h VAL 113 N 3.18 1.22 -0.86 1.47 2.07 -1.87 -1.42 116.25 120.03 2aiv h VAL 113 Ca 0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2aiv h VAL 113 Cb 1.06 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2aiv h VAL 113 CO 0.00 0.24 0.55 0.50 0.02 0.00 0.00 177.57 178.88 2aiv h LYS 114 N 1.03 1.15 -0.41 1.57 3.64 -1.88 -1.79 116.57 119.88 2aiv h LYS 114 Ca 0.27 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 2aiv h LYS 114 Cb 0.01 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2aiv h LYS 114 CO -0.05 0.78 -0.24 0.00 -2.27 0.00 0.00 179.45 177.68 2aiv h ARG 115 N 1.18 0.89 -0.89 1.90 3.08 -1.84 -2.83 114.38 115.87 2aiv h ARG 115 Ca 0.31 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2aiv h ARG 115 Cb -0.10 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2aiv h ARG 115 CO -0.06 1.05 0.55 1.25 -1.07 0.00 0.00 179.97 181.69 2aiv h HIS 116 N 0.71 1.16 -0.65 3.04 2.76 -0.92 -2.63 115.15 118.63 2aiv h HIS 116 Ca 0.09 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 2aiv h HIS 116 Cb 0.81 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 2aiv h HIS 116 CO 0.06 0.77 0.05 0.97 -1.30 0.00 0.00 177.93 178.48 2aiv h ILE 117 N 1.22 1.27 -0.97 6.26 6.09 -1.28 -2.90 117.51 127.19 2aiv h ILE 117 Ca 0.32 -1.10 0.01 0.00 -1.37 0.00 0.00 64.86 62.72 2aiv h ILE 117 Cb -0.07 0.71 -0.05 0.00 0.47 0.00 0.00 36.82 37.88 2aiv h ILE 117 CO -0.06 0.41 0.64 -0.33 -3.07 0.00 0.00 178.15 175.73 2aiv h GLU 118 N 1.02 1.28 -0.94 2.19 5.08 -1.22 -2.13 114.58 119.86 2aiv h GLU 118 Ca 0.19 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2aiv h GLU 118 Cb 0.50 -0.29 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2aiv h GLU 118 CO 0.02 0.86 0.56 0.00 -1.00 0.00 0.00 179.01 179.45 2aiv h ARG 119 N 1.32 1.28 -0.91 2.33 2.47 -1.28 -2.14 114.38 117.45 2aiv h ARG 119 Ca 0.35 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 2aiv h ARG 119 Cb -0.14 -0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 27.87 2aiv h ARG 119 CO -0.08 0.90 0.53 -0.07 0.56 0.00 0.00 179.97 181.81 2aiv h LEU 120 N 1.30 1.10 -0.87 3.04 3.38 -1.24 -2.07 115.31 119.95 2aiv h LEU 120 Ca 0.34 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2aiv h LEU 120 Cb -0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 2aiv h LEU 120 CO -0.06 0.86 0.46 0.11 0.09 0.00 0.00 178.44 179.89 2aiv h LYS 121 N 1.25 1.23 -0.81 1.13 1.57 -0.99 -2.27 116.57 117.68 2aiv h LYS 121 Ca 0.32 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2aiv h LYS 121 Cb -0.03 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.01 2aiv h LYS 121 CO -0.06 0.91 0.33 0.87 -0.57 0.00 0.00 179.45 180.93 2aiv h LYS 122 N 1.23 1.21 -5.90 3.15 1.57 -1.03 -3.39 116.57 113.40 2aiv h LYS 122 Ca 0.30 -0.22 -0.50 0.00 -1.87 0.00 0.00 60.65 58.37 2aiv h LYS 122 Cb 0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2aiv h LYS 122 CO -0.05 0.97 1.43 1.21 -0.57 0.00 0.00 179.45 182.45 2aiv s ASN 123 N -6.35 5.09 -0.23 0.86 3.04 -0.83 -4.84 114.94 111.68 2aiv s ASN 123 Ca -0.12 0.70 0.01 0.00 0.04 0.00 0.00 52.86 53.49 2aiv s ASN 123 Cb 0.16 -2.52 0.27 0.00 -1.54 0.00 0.00 41.25 37.62 2aiv s ASN 123 CO 0.84 -2.45 1.58 -0.81 -3.04 0.00 0.00 177.10 173.22 2aiv n PRO 124 N 9.05 1.62 -0.05 0.43 -0.04 -1.26 -3.72 135.00 141.02 2aiv n PRO 124 Ca 0.26 -1.39 0.02 0.00 -0.04 0.00 0.00 63.50 62.35 2aiv n PRO 124 Cb 0.52 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.06 0.13 -4.21 3.54 2.85 -1.26 -4.96 115.26 111.28 2aiv n ASN 125 Ca 0.27 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.54 2aiv n ASN 125 Cb 0.90 1.57 -0.12 0.00 1.24 0.00 0.00 39.78 43.37 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 -4.85 2.01 -0.27 1.20 0.01 -1.24 -4.86 113.70 105.69 2aiv s SER 126 Ca -0.09 -0.63 -0.12 0.00 1.31 0.00 0.00 55.95 56.42 2aiv s SER 126 Cb 0.10 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 2aiv s SER 126 CO 0.85 -0.02 0.25 -0.54 0.41 0.00 0.00 173.24 174.20 2aiv s LYS 127 N -1.76 3.98 0.01 12.44 1.02 -0.69 -4.98 119.74 129.76 2aiv s LYS 127 Ca 0.01 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 2aiv s LYS 127 Cb -0.10 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 2aiv s LYS 127 CO 0.03 -0.20 1.04 0.12 -0.92 0.00 0.00 175.35 175.43 2aiv s PHE 128 N 1.81 3.59 0.00 3.18 2.19 -1.26 -0.89 117.98 126.60 2aiv s PHE 128 Ca 0.10 1.58 0.00 0.00 0.33 0.00 0.00 56.93 58.94 2aiv s PHE 128 Cb -0.16 -3.21 0.00 0.00 -1.31 0.00 0.00 43.02 38.35 2aiv s PHE 128 CO 0.10 -0.37 0.00 0.39 1.83 0.00 0.00 175.22 177.17 2aiv n GLU 129 N 3.97 0.00 -3.62 10.12 1.02 -1.14 -4.92 120.64 126.07 2aiv n GLU 129 Ca 0.07 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.09 2aiv n GLU 129 Cb 0.50 -0.52 -0.07 0.00 -0.02 0.00 0.00 31.44 31.33 2aiv n GLU 129 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2aiv s SER 130 N -3.92 -0.74 -0.08 1.62 1.04 -1.18 -5.08 113.70 105.37 2aiv s SER 130 Ca 0.00 1.36 0.05 0.00 0.48 0.00 0.00 55.95 57.84 2aiv s SER 130 Cb 0.00 1.36 -0.00 0.00 0.10 0.00 0.00 66.02 67.47 2aiv s SER 130 CO 0.00 -0.29 -0.24 -0.47 0.98 0.00 0.00 173.24 173.22 2aiv s TYR 131 N 0.20 2.41 -0.26 5.02 5.04 -1.26 -3.31 117.35 125.19 2aiv s TYR 131 Ca -0.01 -0.85 -0.05 0.00 -2.44 0.00 0.00 57.07 53.71 2aiv s TYR 131 Cb -0.04 -1.60 -0.00 0.00 0.35 0.00 0.00 41.96 40.66 2aiv s TYR 131 CO 0.02 -0.31 0.03 -0.51 -1.34 0.00 0.00 175.55 173.44 2aiv s ASP 132 N 0.12 4.81 0.16 4.32 1.01 -1.11 -4.98 116.67 120.99 2aiv s ASP 132 Ca -0.11 -0.55 -0.08 0.00 0.71 0.00 0.00 52.55 52.52 2aiv s ASP 132 Cb -0.16 -1.83 0.01 0.00 1.01 0.00 0.00 42.92 41.96 2aiv s ASP 132 CO 0.06 -0.11 1.49 0.00 0.21 0.00 0.00 175.17 176.82 2aiv h ALA 133 N 8.18 0.62 -0.89 5.23 0.00 -1.93 0.89 119.26 131.35 2aiv h ALA 133 Ca -0.36 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.07 2aiv h ALA 133 Cb 1.14 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2aiv h ALA 133 CO 0.60 0.67 0.49 -0.44 0.00 0.00 0.00 179.25 180.57 2aiv h ASP 134 N 0.66 1.12 0.01 0.00 3.45 -1.98 -3.05 116.42 116.62 2aiv h ASP 134 Ca 0.04 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.40 2aiv h ASP 134 Cb 1.02 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 2aiv h ASP 134 CO 0.10 0.89 -1.70 -1.20 -1.57 0.00 0.00 179.24 175.77 2aiv n SER 135 N -4.34 0.30 0.00 6.45 7.64 -1.21 -4.97 113.62 117.50 2aiv n SER 135 Ca 0.09 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.68 2aiv n SER 135 Cb 0.10 1.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.99 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 1.33 0.50 3.73 0.23 0.00 0.31 -4.93 105.19 106.36 2aiv n GLY 136 Ca -0.02 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 -2.50 3.41 -0.20 2.61 2.01 -1.19 -4.57 115.64 115.21 2aiv s THR 137 Ca 0.00 1.11 -0.01 0.00 0.31 0.00 0.00 61.69 63.10 2aiv s THR 137 Cb 0.00 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.81 2aiv s THR 137 CO 0.00 0.14 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.46 2aiv s TYR 138 N 0.38 2.85 -0.17 4.92 5.04 -1.26 -2.75 117.35 126.36 2aiv s TYR 138 Ca 0.58 -1.39 0.01 0.00 -2.44 0.00 0.00 57.07 53.83 2aiv s TYR 138 Cb -0.35 -1.99 0.02 0.00 0.35 0.00 0.00 41.96 39.99 2aiv s TYR 138 CO 0.35 -0.71 -0.21 0.08 -1.34 0.00 0.00 175.55 173.72 2aiv s VAL 139 N 1.36 2.06 0.03 3.14 1.01 -1.21 -4.11 120.40 122.69 2aiv s VAL 139 Ca 0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2aiv s VAL 139 Cb -0.13 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2aiv s VAL 139 CO -0.09 0.54 -0.03 0.72 0.00 0.00 0.00 175.10 176.24 2aiv s PHE 140 N 1.14 0.36 -0.16 5.22 -0.71 -1.22 -2.89 117.98 119.71 2aiv s PHE 140 Ca 0.01 -0.74 0.01 0.00 -1.04 0.00 0.00 56.93 55.18 2aiv s PHE 140 Cb -0.14 -0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.42 2aiv s PHE 140 CO -0.10 -0.27 -0.20 -1.50 -1.34 0.00 0.00 175.22 171.82 2aiv s ILE 141 N -2.44 2.01 -1.12 -4.49 2.07 -0.07 -2.36 121.20 114.79 2aiv s ILE 141 Ca -0.07 -0.92 -0.06 0.00 -1.41 0.00 0.00 60.65 58.19 2aiv s ILE 141 Cb -0.03 -1.80 0.28 0.00 0.13 0.00 0.00 42.46 41.04 2aiv s ILE 141 CO -0.05 0.53 1.49 0.52 -1.91 0.00 0.00 174.94 175.53 2aiv n VAL 142 N 4.44 5.02 -3.01 4.00 0.31 -1.21 -1.71 118.33 126.17 2aiv n VAL 142 Ca -0.20 -5.55 -0.43 0.00 -0.01 0.00 0.00 64.34 58.14 2aiv n VAL 142 Cb 0.51 -2.22 -0.06 0.00 -0.91 0.00 0.00 33.84 31.16 2aiv n VAL 142 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2aiv s ASN 143 N -0.70 6.32 -0.14 4.52 2.47 -1.22 -4.42 114.94 121.78 2aiv s ASN 143 Ca 0.33 -0.43 0.17 0.00 0.42 0.00 0.00 52.86 53.34 2aiv s ASN 143 Cb 0.03 -2.36 -0.24 0.00 -1.45 0.00 0.00 41.25 37.23 2aiv s ASN 143 CO 0.06 -0.97 0.28 1.41 -3.72 0.00 0.00 177.10 174.16 2aiv n HIS 144 N 6.69 0.32 -0.32 0.43 8.25 -1.26 -4.33 115.22 125.01 2aiv n HIS 144 Ca -0.01 0.12 -0.03 0.00 -0.26 0.00 0.00 57.72 57.53 2aiv n HIS 144 Cb 0.47 -1.04 0.11 0.00 1.12 0.00 0.00 29.99 30.65 2aiv n HIS 144 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aiv h ALA 145 N 1.05 1.20 -2.95 -1.41 0.00 -1.89 -3.40 119.26 111.87 2aiv h ALA 145 Ca -0.44 -0.13 -0.63 0.00 0.00 0.00 0.00 54.91 53.71 2aiv h ALA 145 Cb 2.11 -0.35 -0.16 0.00 0.00 0.00 0.00 17.79 19.40 2aiv h ALA 145 CO 0.04 0.65 -0.46 0.00 0.00 0.00 0.00 179.25 179.48 2aiv s ALA 146 N -5.81 3.56 0.03 0.00 0.00 -1.26 -5.07 121.76 113.21 2aiv s ALA 146 Ca -0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 2aiv s ALA 146 Cb 0.17 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 2aiv s ALA 146 CO 0.82 -0.42 -0.03 -1.83 0.00 0.00 0.00 175.76 174.31 2aiv s GLU 147 N 1.51 0.45 -0.42 0.00 1.03 -1.26 -4.92 118.70 115.09 2aiv s GLU 147 Ca 0.09 -0.89 -0.16 0.00 0.03 0.00 0.00 54.97 54.04 2aiv s GLU 147 Cb -0.15 0.15 0.03 0.00 -0.80 0.00 0.00 34.13 33.36 2aiv s GLU 147 CO 0.08 -0.08 0.36 -0.65 -1.33 0.00 0.00 175.26 173.64 2aiv s GLN 148 N -2.58 3.01 0.00 -4.83 -0.21 -1.26 -5.23 119.66 108.56 2aiv s GLN 148 Ca -0.05 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.36 2aiv s GLN 148 Cb -0.02 -3.99 0.00 0.00 1.00 0.00 0.00 33.01 30.00 2aiv s GLN 148 CO -0.05 -0.81 0.31 0.25 -2.12 0.00 0.00 175.29 172.87