#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 0.67 -2.75 1.61 -0.04 -1.26 -4.84 135.00 128.39 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 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.79 7.64 -0.43 3.54 0.02 -1.26 -5.02 114.94 120.22 2aiv s ASN 3 Ca 0.00 1.94 -0.17 0.00 -1.02 0.00 0.00 52.86 53.61 2aiv s ASN 3 Cb 0.00 -2.61 0.02 0.00 0.02 0.00 0.00 41.25 38.69 2aiv s ASN 3 CO 0.00 0.16 0.44 -0.70 0.02 0.00 0.00 177.10 177.02 2aiv s GLU 4 N -1.16 3.09 0.00 -0.60 2.12 -1.26 -4.92 118.70 115.97 2aiv s GLU 4 Ca 0.41 -0.80 0.29 0.00 0.36 0.00 0.00 54.97 55.23 2aiv s GLU 4 Cb -0.26 -3.98 1.24 0.00 0.26 0.00 0.00 34.13 31.39 2aiv s GLU 4 CO 0.32 -0.87 1.92 0.27 -0.54 0.00 0.00 175.26 176.36 2aiv n ASN 5 N 5.60 0.02 -4.45 -1.70 6.94 -1.26 -4.79 115.26 115.62 2aiv n ASN 5 Ca -0.07 0.43 -0.32 0.00 -0.02 0.00 0.00 54.58 54.60 2aiv n ASN 5 Cb 0.47 -0.46 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 2aiv n ASN 5 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2aiv s TYR 6 N -2.97 2.62 0.11 -2.53 1.13 -1.26 -3.92 117.35 110.52 2aiv s TYR 6 Ca 0.15 -0.22 0.05 0.00 -1.41 0.00 0.00 57.07 55.64 2aiv s TYR 6 Cb 0.19 -1.57 -0.04 0.00 -1.10 0.00 0.00 41.96 39.45 2aiv s TYR 6 CO 0.53 0.17 -0.14 1.52 -2.51 0.00 0.00 175.55 175.13 2aiv s TYR 7 N -0.77 1.31 -0.01 -3.49 -0.85 -1.23 -5.04 117.35 107.28 2aiv s TYR 7 Ca 0.12 -0.55 0.03 0.00 -0.52 0.00 0.00 57.07 56.16 2aiv s TYR 7 Cb -0.10 -0.70 -0.01 0.00 0.38 0.00 0.00 41.96 41.53 2aiv s TYR 7 CO 0.02 0.10 -0.10 0.42 -1.52 0.00 0.00 175.55 174.47 2aiv s ILE 8 N -1.97 0.82 -0.80 -3.49 1.09 -1.25 -3.73 121.20 111.87 2aiv s ILE 8 Ca 0.06 -0.44 0.02 0.00 -1.10 0.00 0.00 60.65 59.19 2aiv s ILE 8 Cb -0.06 -0.69 0.23 0.00 -1.06 0.00 0.00 42.46 40.88 2aiv s ILE 8 CO 0.02 0.23 0.81 -1.20 -0.10 0.00 0.00 174.94 174.71 2aiv n SER 9 N 2.86 4.12 -4.77 3.58 7.64 -0.07 -3.03 113.62 123.95 2aiv n SER 9 Ca -0.14 -3.30 -0.32 0.00 1.01 0.00 0.00 58.87 56.12 2aiv n SER 9 Cb 0.56 -0.89 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 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 1.58 0.72 -0.67 1.43 -0.04 -1.26 -3.11 135.00 133.65 2aiv n PRO 10 Ca 0.25 -3.72 -0.31 0.00 -0.04 0.00 0.00 63.50 59.68 2aiv n PRO 10 Cb 0.37 0.86 0.17 0.00 -0.04 0.00 0.00 33.50 34.86 2aiv n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aiv n SER 11 N -1.44 -0.94 -0.35 3.54 2.88 -1.17 -4.67 113.62 111.48 2aiv n SER 11 Ca -0.17 0.25 -0.03 0.00 -1.33 0.00 0.00 58.87 57.59 2aiv n SER 11 Cb 0.65 -1.32 0.10 0.00 -0.75 0.00 0.00 64.21 62.89 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2aiv h LEU 12 N -1.96 1.10 -0.60 2.46 4.07 -1.98 -0.42 115.31 117.98 2aiv h LEU 12 Ca -0.47 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.37 2aiv h LEU 12 Cb 1.29 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 2aiv h LEU 12 CO 0.40 0.82 0.12 -2.24 -1.08 0.00 0.00 178.44 176.46 2aiv h ASP 13 N 1.28 0.93 -0.85 -0.43 2.03 -2.00 -1.94 116.42 115.43 2aiv h ASP 13 Ca 0.34 -0.25 0.01 0.00 -0.73 0.00 0.00 57.03 56.40 2aiv h ASP 13 Cb -0.10 -0.25 -0.04 0.00 -0.83 0.00 0.00 39.33 38.11 2aiv h ASP 13 CO -0.07 0.94 0.56 0.74 -1.03 0.00 0.00 179.24 180.39 2aiv h THR 14 N 0.88 1.21 -0.85 1.15 2.02 -1.69 -2.10 112.91 113.54 2aiv h THR 14 Ca 0.19 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2aiv h THR 14 Cb 0.39 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 2aiv h THR 14 CO 0.01 0.21 0.45 0.25 0.37 0.00 0.00 175.52 176.81 2aiv h LEU 15 N 1.15 1.07 -1.15 2.58 5.85 -0.74 -2.69 115.31 121.38 2aiv h LEU 15 Ca 0.31 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2aiv h LEU 15 Cb -0.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.59 2aiv h LEU 15 CO -0.07 0.87 0.47 0.28 -0.34 0.00 0.00 178.44 179.64 2aiv h SER 16 N 1.19 0.93 0.24 1.25 0.02 -0.67 0.23 113.55 116.74 2aiv h SER 16 Ca 0.30 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2aiv h SER 16 Cb 0.05 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2aiv h SER 16 CO -0.05 0.71 0.00 -1.20 -1.14 0.00 0.00 176.83 175.16 2aiv n SER 17 N -4.38 0.00 -4.82 3.07 7.64 -1.02 -4.76 113.62 109.35 2aiv n SER 17 Ca 0.08 0.02 -0.31 0.00 1.01 0.00 0.00 58.87 59.67 2aiv n SER 17 Cb 0.07 -0.25 0.05 0.00 -1.01 0.00 0.00 64.21 63.06 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 3.11 1.00 1.43 1.51 0.07 -5.05 117.35 116.91 2aiv s TYR 18 Ca 0.15 1.42 -0.13 0.00 -1.01 0.00 0.00 57.07 57.50 2aiv s TYR 18 Cb 0.10 -2.88 0.19 0.00 -0.11 0.00 0.00 41.96 39.25 2aiv s TYR 18 CO 0.21 -1.24 1.11 -1.54 -1.11 0.00 0.00 175.55 172.99 2aiv s SER 19 N -3.77 2.62 0.22 2.29 1.04 -1.26 -4.59 113.70 110.25 2aiv s SER 19 Ca 0.58 1.03 -0.09 0.00 0.48 0.00 0.00 55.95 57.95 2aiv s SER 19 Cb -0.14 -1.61 0.18 0.00 0.10 0.00 0.00 66.02 64.55 2aiv s SER 19 CO 0.55 -3.12 1.87 -0.07 0.98 0.00 0.00 173.24 173.45 2aiv h LEU 20 N -1.88 0.98 -0.29 2.42 -0.00 -1.96 0.85 115.31 115.42 2aiv h LEU 20 Ca -0.53 -0.05 -0.17 0.00 -0.00 0.00 0.00 57.88 57.13 2aiv h LEU 20 Cb 1.33 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.74 2aiv h LEU 20 CO 0.56 0.74 -0.48 0.25 -0.00 0.00 0.00 178.44 179.52 2aiv h LEU 21 N 1.13 0.93 -0.39 1.67 7.12 -1.97 -1.00 115.31 122.80 2aiv h LEU 21 Ca 0.30 -0.52 -0.16 0.00 0.13 0.00 0.00 57.88 57.63 2aiv h LEU 21 Cb -0.07 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 39.79 2aiv h LEU 21 CO -0.06 1.27 -0.37 -0.61 -0.13 0.00 0.00 178.44 178.54 2aiv h GLN 22 N 0.62 0.94 -0.46 1.25 4.15 -1.72 -1.09 115.11 118.80 2aiv h GLN 22 Ca 0.02 -0.49 -0.13 0.00 0.77 0.00 0.00 58.65 58.82 2aiv h GLN 22 Cb 1.08 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 2aiv h GLN 22 CO 0.11 1.14 -0.24 1.25 -1.93 0.00 0.00 178.83 179.16 2aiv h LEU 23 N 0.76 0.99 0.00 -2.39 5.85 0.72 -2.84 115.31 118.40 2aiv h LEU 23 Ca 0.06 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2aiv h LEU 23 Cb 0.96 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2aiv h LEU 23 CO 0.09 1.17 -0.02 0.54 -0.34 0.00 0.00 178.44 179.88 2aiv n ARG 24 N -4.10 0.02 -3.52 1.25 1.74 -0.38 -4.01 116.66 107.65 2aiv n ARG 24 Ca -0.00 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 2aiv n ARG 24 Cb 0.47 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 30.27 2aiv n ARG 24 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2aiv s LYS 25 N -3.01 0.87 -0.82 5.56 2.20 -0.42 -1.01 119.74 123.11 2aiv s LYS 25 Ca 0.14 -1.73 -0.25 0.00 -0.36 0.00 0.00 55.97 53.77 2aiv s LYS 25 Cb 0.18 -1.64 -0.04 0.00 -1.51 0.00 0.00 37.83 34.82 2aiv s LYS 25 CO 0.54 -1.24 1.93 0.08 -0.36 0.00 0.00 175.35 176.31 2aiv s VAL 26 N 0.59 3.41 0.00 4.02 1.01 -1.24 -4.64 120.40 123.56 2aiv s VAL 26 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2aiv s VAL 26 Cb -0.17 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2aiv s VAL 26 CO -0.04 -0.92 0.04 -0.81 0.00 0.00 0.00 175.10 173.36 2aiv n PRO 27 N 8.94 0.00 -3.19 2.72 -0.04 -1.26 -4.32 135.00 137.85 2aiv n PRO 27 Ca 0.35 0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.37 2aiv n PRO 27 Cb 0.48 -0.54 -0.05 0.00 -0.04 0.00 0.00 33.50 33.35 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 -0.07 3.09 -0.17 0.54 3.76 -1.26 -4.23 115.29 116.95 2aiv s HIS 28 Ca 0.00 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 2aiv s HIS 28 Cb 0.00 -3.82 0.01 0.00 1.11 0.00 0.00 32.58 29.87 2aiv s HIS 28 CO 0.00 -1.15 -0.16 -1.17 -0.85 0.00 0.00 174.74 171.41 2aiv s LEU 29 N 2.31 2.36 -0.18 0.89 0.20 -1.22 -4.46 118.68 118.57 2aiv s LEU 29 Ca 0.09 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 54.38 2aiv s LEU 29 Cb -0.25 -1.54 0.02 0.00 -0.43 0.00 0.00 46.19 43.99 2aiv s LEU 29 CO 0.06 0.04 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.28 2aiv s VAL 30 N 1.08 2.09 -0.00 1.68 1.01 -1.18 -1.54 120.40 123.53 2aiv s VAL 30 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2aiv s VAL 30 Cb -0.14 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 2aiv s VAL 30 CO -0.05 0.52 -0.02 0.54 0.00 0.00 0.00 175.10 176.09 2aiv s VAL 31 N 1.29 0.12 0.00 2.92 0.11 0.66 -0.89 120.40 124.60 2aiv s VAL 31 Ca 0.05 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 2aiv s VAL 31 Cb -0.13 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 2aiv s VAL 31 CO -0.13 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 2aiv n GLY 32 N 3.05 0.36 3.32 6.54 0.00 -1.24 0.25 105.19 117.47 2aiv n GLY 32 Ca -0.12 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.90 2.28 0.24 1.61 3.76 -0.72 -3.49 115.29 117.07 2aiv s HIS 33 Ca 0.00 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.42 2aiv s HIS 33 Cb 0.00 -1.41 0.25 0.00 1.11 0.00 0.00 32.58 32.53 2aiv s HIS 33 CO 0.00 0.05 1.90 -0.22 -0.85 0.00 0.00 174.74 175.62 2aiv h LYS 34 N 5.10 1.13 -0.63 1.40 3.64 -1.86 0.84 116.57 126.20 2aiv h LYS 34 Ca -0.45 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 58.78 2aiv h LYS 34 Cb 1.13 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2aiv h LYS 34 CO 0.45 0.75 0.05 1.03 -2.27 0.00 0.00 179.45 179.46 2aiv h SER 35 N 1.17 1.05 0.00 4.20 0.87 -1.96 -3.39 113.55 115.49 2aiv h SER 35 Ca 0.35 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2aiv h SER 35 Cb -0.06 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.62 2aiv h SER 35 CO -0.10 1.07 0.00 -1.22 -0.53 0.00 0.00 176.83 176.05 2aiv n TYR 36 N -4.21 0.00 0.00 2.24 4.02 -0.87 -4.94 117.16 113.40 2aiv n TYR 36 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2aiv n TYR 36 Cb 0.32 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2aiv n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aiv n GLY 37 N 2.12 1.79 3.86 2.72 0.00 0.29 -3.45 105.19 112.51 2aiv n GLY 37 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 2aiv n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aiv s LYS 38 N -2.00 3.50 0.12 1.61 1.02 -0.54 -1.76 119.74 121.70 2aiv s LYS 38 Ca 0.00 -0.15 0.05 0.00 0.02 0.00 0.00 55.97 55.89 2aiv s LYS 38 Cb 0.00 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 2aiv s LYS 38 CO 0.00 0.73 -0.12 0.96 -0.92 0.00 0.00 175.35 176.00 2aiv s ILE 39 N -0.88 1.21 -0.00 2.17 -4.36 0.14 -2.00 121.20 117.47 2aiv s ILE 39 Ca 0.14 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 2aiv s ILE 39 Cb -0.12 -1.58 0.01 0.00 1.25 0.00 0.00 42.46 42.02 2aiv s ILE 39 CO 0.03 -0.53 0.00 -1.61 0.24 0.00 0.00 174.94 173.07 2aiv s GLU 40 N -2.98 0.01 -0.23 0.37 2.02 -0.76 -0.25 118.70 116.88 2aiv s GLU 40 Ca 0.10 0.03 -0.06 0.00 0.02 0.00 0.00 54.97 55.07 2aiv s GLU 40 Cb -0.03 -0.06 -0.02 0.00 0.10 0.00 0.00 34.13 34.13 2aiv s GLU 40 CO 0.02 -0.03 0.01 -0.06 0.02 0.00 0.00 175.26 175.22 2aiv s PHE 41 N 0.20 3.02 -1.80 1.61 0.08 -0.59 -2.70 117.98 117.80 2aiv s PHE 41 Ca -0.02 -0.68 0.20 0.00 0.12 0.00 0.00 56.93 56.56 2aiv s PHE 41 Cb -0.03 -2.17 0.54 0.00 -0.57 0.00 0.00 43.02 40.80 2aiv s PHE 41 CO -0.01 -0.45 1.45 1.28 -0.10 0.00 0.00 175.22 177.40 2aiv n LEU 42 N 4.83 3.65 0.00 -0.37 4.77 -1.26 -3.44 117.00 125.19 2aiv n LEU 42 Ca -0.17 -1.92 -0.14 0.00 -0.03 0.00 0.00 56.01 53.75 2aiv n LEU 42 Cb 0.51 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2aiv n LEU 42 CO 0.30 0.89 0.35 -0.62 -1.33 0.00 0.00 177.39 176.98 2aiv n GLU 43 N 1.38 0.15 -3.54 3.23 -0.58 -1.25 -4.91 120.64 115.12 2aiv n GLU 43 Ca 0.21 -1.65 -0.35 0.00 -0.42 0.00 0.00 57.16 54.96 2aiv n GLU 43 Cb 0.57 -0.41 -0.06 0.00 -0.57 0.00 0.00 31.44 30.97 2aiv n GLU 43 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2aiv n PRO 44 N -2.14 2.80 -1.60 3.49 -0.04 -1.26 -3.75 135.00 132.49 2aiv n PRO 44 Ca 0.10 -4.53 -0.14 0.00 -0.04 0.00 0.00 63.50 58.89 2aiv n PRO 44 Cb 0.36 -2.39 -0.09 0.00 -0.04 0.00 0.00 33.50 31.34 2aiv n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aiv s VAL 45 N -1.77 3.03 -0.38 0.52 1.01 -1.19 -4.61 120.40 117.01 2aiv s VAL 45 Ca 0.30 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 2aiv s VAL 45 Cb -0.01 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2aiv s VAL 45 CO -0.08 -0.07 1.98 1.51 0.00 0.00 0.00 175.10 178.44 2aiv s ASP 46 N 9.65 5.49 -0.12 3.32 -4.77 -0.18 -4.11 116.67 125.94 2aiv s ASP 46 Ca 0.87 1.23 0.05 0.00 -3.30 0.00 0.00 52.55 51.40 2aiv s ASP 46 Cb -0.09 -2.52 -0.11 0.00 -1.09 0.00 0.00 42.92 39.11 2aiv s ASP 46 CO 0.13 -2.04 -0.04 0.18 0.70 0.00 0.00 175.17 174.10 2aiv n LEU 47 N 11.79 1.45 -3.00 2.11 4.77 -1.26 -4.40 117.00 128.47 2aiv n LEU 47 Ca 0.26 -0.04 -0.19 0.00 -0.03 0.00 0.00 56.01 56.01 2aiv n LEU 47 Cb 0.48 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2aiv n LEU 47 CO 0.69 0.50 -0.07 0.00 -1.33 0.00 0.00 177.39 177.17 2aiv n ALA 48 N -2.65 -0.96 -0.01 -1.18 0.00 -1.26 -3.75 120.51 110.71 2aiv n ALA 48 Ca -0.21 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2aiv n ALA 48 Cb 0.81 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 -1.08 0.84 3.56 0.00 0.00 -1.26 -5.02 105.19 102.22 2aiv n GLY 49 Ca -0.07 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.01 3.44 -0.06 -0.61 -5.25 -1.25 -4.88 121.20 110.60 2aiv s ILE 50 Ca 0.00 -0.33 -0.03 0.00 -0.99 0.00 0.00 60.65 59.31 2aiv s ILE 50 Cb 0.00 -4.01 -0.11 0.00 2.95 0.00 0.00 42.46 41.29 2aiv s ILE 50 CO 0.00 -0.95 1.85 -0.81 -1.79 0.00 0.00 174.94 173.24 2aiv n PRO 51 N 8.88 0.92 0.27 0.37 -0.04 -1.26 -4.41 135.00 139.73 2aiv n PRO 51 Ca 0.38 -0.49 0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2aiv n PRO 51 Cb 0.47 -1.76 0.79 0.00 -0.04 0.00 0.00 33.50 32.95 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 5.82 0.00 -1.09 1.53 3.38 -1.89 -1.33 115.31 121.73 2aiv h LEU 52 Ca 0.11 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.34 2aiv h LEU 52 Cb 0.61 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.24 2aiv h LEU 52 CO 0.46 0.08 0.62 0.71 0.09 0.00 0.00 178.44 180.39 2aiv h THR 53 N 0.00 0.49 0.00 0.22 1.35 -1.77 0.89 112.91 114.09 2aiv h THR 53 Ca -0.00 -0.17 -0.21 0.00 -0.55 0.00 0.00 66.41 65.48 2aiv h THR 53 Cb 0.21 -0.05 -0.04 0.00 -1.73 0.00 0.00 68.15 66.54 2aiv h THR 53 CO 0.01 0.09 -1.79 -1.20 -0.25 0.00 0.00 175.52 172.38 2aiv n SER 54 N -4.85 2.51 -0.13 5.36 7.64 -1.08 -4.61 113.62 118.46 2aiv n SER 54 Ca 0.28 -0.03 -0.12 0.00 1.01 0.00 0.00 58.87 60.00 2aiv n SER 54 Cb 0.82 0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 64.36 2aiv n SER 54 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2aiv h LEU 55 N 0.00 0.95 0.00 -3.43 3.38 -1.01 -3.48 115.31 111.72 2aiv h LEU 55 Ca -0.31 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2aiv h LEU 55 Cb 1.61 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2aiv h LEU 55 CO -0.01 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.31 2aiv n GLY 56 N 0.03 3.61 0.00 0.83 0.00 0.31 -5.00 105.19 104.97 2aiv n GLY 56 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 3.22 0.00 -0.02 0.00 -1.19 -4.36 105.19 102.85 2aiv n GLY 57 Ca 0.00 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.71 2aiv n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aiv n VAL 58 N 0.00 0.11 -0.94 1.61 0.24 -1.26 -4.67 118.33 113.42 2aiv n VAL 58 Ca 0.00 0.03 -0.06 0.00 -2.04 0.00 0.00 64.34 62.27 2aiv n VAL 58 Cb 0.00 -0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 31.78 2aiv n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aiv n ILE 59 N -1.35 0.00 -5.05 1.34 3.06 -1.26 -4.89 119.36 111.21 2aiv n ILE 59 Ca 0.11 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 60.04 2aiv n ILE 59 Cb 0.25 -0.70 -0.17 0.00 0.54 0.00 0.00 39.64 39.56 2aiv n ILE 59 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2aiv s ILE 60 N -1.24 2.03 -0.10 9.51 -1.09 -1.26 -5.00 121.20 124.04 2aiv s ILE 60 Ca 0.00 -0.99 0.04 0.00 -2.23 0.00 0.00 60.65 57.47 2aiv s ILE 60 Cb 0.00 -1.77 -0.00 0.00 -1.58 0.00 0.00 42.46 39.11 2aiv s ILE 60 CO 0.00 0.55 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.14 2aiv s THR 61 N 0.49 2.11 -0.19 2.92 2.01 -1.19 -5.10 115.64 116.68 2aiv s THR 61 Ca -0.15 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.81 2aiv s THR 61 Cb -0.17 -1.81 0.06 0.00 0.01 0.00 0.00 72.50 70.59 2aiv s THR 61 CO 0.06 0.56 0.05 0.12 -0.69 0.00 0.00 174.62 174.72 2aiv s PHE 62 N 0.36 0.79 0.32 4.92 2.19 -1.26 -1.58 117.98 123.71 2aiv s PHE 62 Ca -0.18 -0.69 -0.27 0.00 0.33 0.00 0.00 56.93 56.11 2aiv s PHE 62 Cb -0.18 -0.93 -0.09 0.00 -1.31 0.00 0.00 43.02 40.51 2aiv s PHE 62 CO 0.08 -0.58 1.03 -1.21 1.83 0.00 0.00 175.22 176.38 2aiv s GLU 63 N 1.94 4.53 -0.27 10.12 2.02 0.29 -4.89 118.70 132.42 2aiv s GLU 63 Ca -0.00 1.59 -0.04 0.00 0.02 0.00 0.00 54.97 56.53 2aiv s GLU 63 Cb -0.17 -2.95 -0.12 0.00 0.10 0.00 0.00 34.13 30.99 2aiv s GLU 63 CO -0.08 0.17 2.22 -2.30 0.02 0.00 0.00 175.26 175.29 2aiv n PRO 64 N 0.76 1.41 0.00 0.39 -0.02 -1.26 -1.47 135.00 134.81 2aiv n PRO 64 Ca 0.01 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.66 2aiv n PRO 64 Cb 0.47 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2aiv n PRO 64 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2aiv n LYS 65 N 3.16 0.00 -3.79 -0.52 5.02 -1.26 -4.92 118.16 115.85 2aiv n LYS 65 Ca 0.30 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.47 2aiv n LYS 65 Cb 0.40 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.32 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 0.00 0.07 -0.27 -0.18 2.01 -0.54 -4.71 115.64 112.02 2aiv s THR 66 Ca 0.00 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 2aiv s THR 66 Cb 0.00 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 2aiv s THR 66 CO 0.00 -0.30 0.18 0.00 -0.69 0.00 0.00 174.62 173.81 2aiv s ILE 68 N 1.52 4.60 -0.17 0.00 -1.09 -0.61 -4.91 121.20 120.54 2aiv s ILE 68 Ca 0.07 -0.08 0.11 0.00 -2.23 0.00 0.00 60.65 58.52 2aiv s ILE 68 Cb -0.15 -3.17 -0.23 0.00 -1.58 0.00 0.00 42.46 37.33 2aiv s ILE 68 CO 0.09 0.31 0.19 2.30 -1.23 0.00 0.00 174.94 176.59 2aiv n ILE 69 N 4.96 1.50 0.21 2.92 -5.35 -1.26 -3.19 119.36 119.16 2aiv n ILE 69 Ca -0.16 -0.77 0.07 0.00 -0.27 0.00 0.00 62.75 61.63 2aiv n ILE 69 Cb 0.52 -0.92 0.44 0.00 -1.74 0.00 0.00 39.64 37.94 2aiv n ILE 69 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 2aiv h TYR 70 N 0.01 0.00 -0.85 4.28 -0.00 -1.93 -3.46 116.97 115.02 2aiv h TYR 70 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 2aiv h TYR 70 Cb 2.10 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.83 2aiv h TYR 70 CO 0.01 0.30 0.00 0.00 -0.00 0.00 0.00 178.16 178.48 2aiv n ALA 71 N -2.33 0.00 0.35 0.10 0.00 -1.26 -2.16 120.51 115.21 2aiv n ALA 71 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.45 2aiv n ALA 71 Cb 0.41 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.03 0.00 -4.55 0.00 6.94 -1.26 -4.65 115.26 108.70 2aiv n ASN 72 Ca 0.00 -0.20 -0.38 0.00 -0.02 0.00 0.00 54.58 53.99 2aiv n ASN 72 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 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 -1.87 3.37 -0.81 -4.53 1.43 -0.92 -4.91 118.68 110.43 2aiv s LEU 73 Ca 0.07 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 53.99 2aiv s LEU 73 Cb 0.03 -2.60 0.20 0.00 0.03 0.00 0.00 46.19 43.86 2aiv s LEU 73 CO 0.06 -2.60 0.67 -2.16 0.23 0.00 0.00 176.35 172.54 2aiv s PRO 74 N 7.60 3.00 -0.42 1.29 0.04 -1.26 -4.66 135.00 140.59 2aiv s PRO 74 Ca 0.85 -3.14 0.00 0.00 0.04 0.00 0.00 61.00 58.75 2aiv s PRO 74 Cb -0.16 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2aiv s PRO 74 CO 0.25 -1.25 0.00 0.09 0.04 0.00 0.00 177.00 176.13 2aiv n ASN 75 N 2.50 -4.33 -4.55 6.66 3.02 -1.26 -4.94 115.26 112.36 2aiv n ASN 75 Ca 0.18 0.10 -0.37 0.00 -0.03 0.00 0.00 54.58 54.46 2aiv n ASN 75 Cb 0.37 -2.18 -0.03 0.00 -0.61 0.00 0.00 39.78 37.32 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 -1.71 2.57 -1.11 3.52 6.06 -1.26 -4.91 118.95 122.11 2aiv s ARG 76 Ca 0.00 0.57 -0.05 0.00 -2.50 0.00 0.00 55.73 53.75 2aiv s ARG 76 Cb 0.00 -4.47 0.29 0.00 0.06 0.00 0.00 34.95 30.82 2aiv s ARG 76 CO 0.00 -2.85 1.56 -0.35 -2.50 0.00 0.00 175.30 171.16 2aiv n PRO 77 N 9.14 4.39 0.10 5.12 -0.04 -1.26 -4.75 135.00 147.69 2aiv n PRO 77 Ca 0.24 -4.40 0.00 0.00 -0.04 0.00 0.00 63.50 59.30 2aiv n PRO 77 Cb 0.52 -2.57 0.31 0.00 -0.04 0.00 0.00 33.50 31.71 2aiv n PRO 77 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2aiv h LYS 78 N 5.44 0.26 -1.81 0.54 3.64 -1.95 -3.47 116.57 119.22 2aiv h LYS 78 Ca 0.24 -0.09 -0.23 0.00 -1.27 0.00 0.00 60.65 59.30 2aiv h LYS 78 Cb 0.60 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2aiv h LYS 78 CO 1.38 0.50 -0.30 0.54 -2.27 0.00 0.00 179.45 179.29 2aiv n ARG 79 N -4.17 -1.19 0.00 1.90 5.12 -1.26 -4.94 116.66 112.12 2aiv n ARG 79 Ca -0.01 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.47 2aiv n ARG 79 Cb 0.36 -4.69 0.00 0.00 -1.16 0.00 0.00 32.46 26.97 2aiv n ARG 79 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2aiv n GLY 80 N -1.04 0.64 3.29 -0.13 0.00 -1.26 -5.11 105.19 101.59 2aiv n GLY 80 Ca -0.13 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2aiv n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aiv s GLU 81 N 0.01 2.02 0.00 1.61 -1.05 -1.26 -4.65 118.70 115.37 2aiv s GLU 81 Ca 0.00 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 2aiv s GLU 81 Cb 0.00 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 2aiv s GLU 81 CO 0.00 0.54 0.00 0.41 0.95 0.00 0.00 175.26 177.16 2aiv n GLY 82 N 2.44 0.81 3.72 -3.83 0.00 -1.26 -5.01 105.19 102.06 2aiv n GLY 82 Ca -0.16 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 2aiv n GLY 82 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2aiv s ILE 83 N -1.72 4.94 0.00 -0.61 1.10 -1.26 -5.04 121.20 118.61 2aiv s ILE 83 Ca 0.00 0.01 -0.30 0.00 -0.51 0.00 0.00 60.65 59.85 2aiv s ILE 83 Cb 0.00 -3.18 -0.03 0.00 0.15 0.00 0.00 42.46 39.40 2aiv s ILE 83 CO 0.00 0.53 0.99 0.20 -2.11 0.00 0.00 174.94 174.55 2aiv s ASN 84 N -0.26 7.35 0.00 4.50 0.02 -1.26 -4.93 114.94 120.36 2aiv s ASN 84 Ca 0.09 1.68 0.00 0.00 -1.02 0.00 0.00 52.86 53.61 2aiv s ASN 84 Cb -0.12 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.58 2aiv s ASN 84 CO 0.01 -0.27 0.00 1.33 0.02 0.00 0.00 177.10 178.19 2aiv n VAL 85 N 3.90 0.00 -1.91 1.60 0.24 -1.26 -4.31 118.33 116.60 2aiv n VAL 85 Ca 0.06 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.08 2aiv n VAL 85 Cb 0.51 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 2aiv n VAL 85 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aiv s ARG 86 N -0.28 2.34 -0.01 7.34 0.52 -1.26 -4.62 118.95 122.97 2aiv s ARG 86 Ca 0.00 0.25 0.08 0.00 -0.52 0.00 0.00 55.73 55.54 2aiv s ARG 86 Cb 0.00 -4.79 -0.02 0.00 0.52 0.00 0.00 34.95 30.66 2aiv s ARG 86 CO 0.00 -3.42 -0.25 0.00 0.02 0.00 0.00 175.30 171.65 2aiv s ALA 87 N 10.96 2.10 -0.19 2.13 0.00 -1.25 -3.78 121.76 131.73 2aiv s ALA 87 Ca 0.76 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2aiv s ALA 87 Cb -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2aiv s ALA 87 CO 0.09 0.51 -0.12 0.50 0.00 0.00 0.00 175.76 176.74 2aiv s ARG 88 N -0.65 3.22 -0.15 0.00 3.52 -1.10 -1.74 118.95 122.05 2aiv s ARG 88 Ca 0.10 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 54.95 2aiv s ARG 88 Cb -0.10 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 2aiv s ARG 88 CO -0.01 -0.15 -0.04 0.96 -0.81 0.00 0.00 175.30 175.26 2aiv s ILE 89 N 1.25 3.90 -0.10 4.11 -4.36 -0.79 -1.82 121.20 123.39 2aiv s ILE 89 Ca 0.03 -0.36 0.04 0.00 -0.26 0.00 0.00 60.65 60.10 2aiv s ILE 89 Cb -0.14 -2.71 0.00 0.00 1.25 0.00 0.00 42.46 40.86 2aiv s ILE 89 CO -0.06 0.50 -0.24 -0.89 0.24 0.00 0.00 174.94 174.49 2aiv s THR 90 N 0.32 2.05 0.07 8.37 2.01 -0.85 -1.96 115.64 125.66 2aiv s THR 90 Ca -0.04 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 2aiv s THR 90 Cb -0.14 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2aiv s THR 90 CO 0.03 0.56 0.12 0.00 -0.69 0.00 0.00 174.62 174.64 2aiv n PHE 92 N 0.04 0.95 -3.41 0.00 -1.74 -1.22 -1.61 117.46 110.47 2aiv n PHE 92 Ca -0.15 -0.78 -0.44 0.00 -0.56 0.00 0.00 57.45 55.52 2aiv n PHE 92 Cb 0.62 -0.27 -0.08 0.00 1.52 0.00 0.00 39.48 41.27 2aiv n PHE 92 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 2aiv s ASN 93 N -1.63 6.12 0.00 5.98 0.01 -1.26 -4.50 114.94 119.65 2aiv s ASN 93 Ca 0.40 -1.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.27 2aiv s ASN 93 Cb 0.30 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.79 2aiv s ASN 93 CO 0.11 -0.62 0.00 0.00 -1.51 0.00 0.00 177.10 175.09 2aiv n TYR 95 N -0.15 1.58 0.00 0.00 9.36 -1.26 -4.99 117.16 121.70 2aiv n TYR 95 Ca 0.00 -3.85 0.00 0.00 3.32 0.00 0.00 57.90 57.37 2aiv n TYR 95 Cb 0.00 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.26 2aiv n TYR 95 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2aiv n PRO 96 N 1.15 0.00 -4.57 2.98 -0.04 -1.26 -4.71 135.00 128.55 2aiv n PRO 96 Ca 0.25 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.50 2aiv n PRO 96 Cb 0.47 -0.10 -0.15 0.00 -0.04 0.00 0.00 33.50 33.68 2aiv n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2aiv s VAL 97 N 0.00 1.00 -0.26 0.52 0.11 -1.26 -2.32 120.40 118.20 2aiv s VAL 97 Ca 0.00 -0.54 -0.28 0.00 -2.93 0.00 0.00 61.98 58.23 2aiv s VAL 97 Cb 0.00 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 2aiv s VAL 97 CO 0.00 0.28 1.00 -0.62 -3.33 0.00 0.00 175.10 172.44 2aiv s ASP 98 N -0.27 7.00 0.24 3.54 -1.08 0.31 -4.82 116.67 121.59 2aiv s ASP 98 Ca 0.04 1.21 -0.07 0.00 -0.52 0.00 0.00 52.55 53.22 2aiv s ASP 98 Cb -0.05 -2.52 0.22 0.00 -1.46 0.00 0.00 42.92 39.11 2aiv s ASP 98 CO -0.00 -0.69 1.90 0.50 0.52 0.00 0.00 175.17 177.39 2aiv h LYS 99 N 7.67 1.25 -0.40 4.34 3.64 -1.94 1.15 116.57 132.28 2aiv h LYS 99 Ca -0.20 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.10 2aiv h LYS 99 Cb 1.07 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 2aiv h LYS 99 CO 0.97 0.85 0.22 1.03 -2.27 0.00 0.00 179.45 180.25 2aiv h SER 100 N 1.27 0.34 0.00 4.20 0.87 -1.98 -3.30 113.55 114.95 2aiv h SER 100 Ca 0.34 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2aiv h SER 100 Cb -0.09 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2aiv h SER 100 CO -0.07 0.25 -0.02 0.35 -0.53 0.00 0.00 176.83 176.81 2aiv n THR 101 N -4.89 0.89 -3.03 2.23 -2.24 -1.20 -4.98 114.28 101.06 2aiv n THR 101 Ca 0.01 -0.94 -0.22 0.00 -2.27 0.00 0.00 64.05 60.63 2aiv n THR 101 Cb 0.08 0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.51 -4.97 -1.91 -0.78 1.74 0.39 -4.92 116.66 105.70 2aiv n ARG 102 Ca 0.02 0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 57.57 2aiv n ARG 102 Cb 0.36 -5.68 -0.02 0.00 -1.02 0.00 0.00 32.46 26.10 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 -5.70 4.20 -0.81 5.56 -0.14 -0.54 -4.63 119.74 117.68 2aiv s LYS 103 Ca 0.31 2.43 -0.02 0.00 -1.36 0.00 0.00 55.97 57.34 2aiv s LYS 103 Cb -0.14 -3.06 0.20 0.00 -1.68 0.00 0.00 37.83 33.16 2aiv s LYS 103 CO 0.39 -0.50 0.66 -1.25 -0.76 0.00 0.00 175.35 173.89 2aiv s PRO 104 N -0.73 3.03 -0.26 -1.68 0.04 -1.26 0.12 135.00 134.25 2aiv s PRO 104 Ca 0.59 -3.07 -0.29 0.00 0.04 0.00 0.00 61.00 58.27 2aiv s PRO 104 Cb -0.44 -3.86 0.01 0.00 0.04 0.00 0.00 34.50 30.25 2aiv s PRO 104 CO 0.48 -1.24 1.05 0.42 0.04 0.00 0.00 177.00 177.75 2aiv s ILE 105 N -0.99 4.62 -0.26 0.56 1.01 -0.98 -4.91 121.20 120.26 2aiv s ILE 105 Ca 0.24 1.93 0.12 0.00 0.00 0.00 0.00 60.65 62.94 2aiv s ILE 105 Cb -0.11 -4.34 0.55 0.00 0.01 0.00 0.00 42.46 38.57 2aiv s ILE 105 CO -0.10 -0.28 1.51 2.29 0.00 0.00 0.00 174.94 178.36 2aiv n LYS 106 N 6.51 2.53 -4.13 2.79 2.85 -1.26 -4.59 118.16 122.85 2aiv n LYS 106 Ca 0.12 -3.02 -0.13 0.00 -1.05 0.00 0.00 58.31 54.23 2aiv n LYS 106 Cb 0.46 -1.90 -0.07 0.00 -0.65 0.00 0.00 35.03 32.87 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2aiv s ASP 107 N -2.04 0.45 -0.79 -5.58 1.11 -1.26 -5.12 116.67 103.44 2aiv s ASP 107 Ca 0.46 -1.34 -0.00 0.00 0.18 0.00 0.00 52.55 51.85 2aiv s ASP 107 Cb 0.39 0.52 0.19 0.00 1.07 0.00 0.00 42.92 45.09 2aiv s ASP 107 CO 0.06 -1.05 0.64 -2.16 1.18 0.00 0.00 175.17 173.84 2aiv s PRO 108 N -3.79 2.92 -0.12 8.23 0.04 -1.26 -4.97 135.00 136.05 2aiv s PRO 108 Ca 0.33 -3.15 0.03 0.00 0.04 0.00 0.00 61.00 58.25 2aiv s PRO 108 Cb 0.03 -3.77 0.01 0.00 0.04 0.00 0.00 34.50 30.80 2aiv s PRO 108 CO 0.15 -1.25 -0.22 1.21 0.04 0.00 0.00 177.00 176.93 2aiv s ASN 109 N -0.33 3.04 0.00 6.66 3.84 -1.26 -5.00 114.94 121.90 2aiv s ASN 109 Ca 0.25 -0.57 0.00 0.00 0.21 0.00 0.00 52.86 52.75 2aiv s ASN 109 Cb -0.09 -1.40 0.00 0.00 -0.55 0.00 0.00 41.25 39.21 2aiv s ASN 109 CO -0.11 0.11 0.34 1.41 -2.79 0.00 0.00 177.10 176.06 2aiv n HIS 110 N 3.81 0.00 -0.37 0.43 8.25 -1.26 -4.05 115.22 122.03 2aiv n HIS 110 Ca -0.20 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 2aiv n HIS 110 Cb 0.52 -0.14 0.14 0.00 1.12 0.00 0.00 29.99 31.63 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 1.22 1.22 0.00 -0.41 4.20 -2.01 -3.25 115.11 116.08 2aiv h GLN 111 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2aiv h GLN 111 Cb 0.34 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2aiv h GLN 111 CO 0.00 0.80 -0.29 1.47 -0.67 0.00 0.00 178.83 180.15 2aiv n LEU 112 N -4.45 0.79 -0.14 1.46 -0.00 -1.26 -4.80 117.00 108.60 2aiv n LEU 112 Ca 0.14 -1.58 -0.08 0.00 -0.00 0.00 0.00 56.01 54.48 2aiv n LEU 112 Cb 0.10 -0.13 0.07 0.00 -0.00 0.00 0.00 43.42 43.46 2aiv n LEU 112 CO 0.34 0.38 0.76 0.58 -0.00 0.00 0.00 177.39 179.45 2aiv h VAL 113 N 4.27 1.26 -0.94 1.47 2.07 -1.79 -2.93 116.25 119.68 2aiv h VAL 113 Ca 0.00 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2aiv h VAL 113 Cb 1.21 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 2aiv h VAL 113 CO 0.00 0.43 0.60 0.07 0.02 0.00 0.00 177.57 178.69 2aiv h LYS 114 N 0.80 1.25 -0.81 1.57 2.10 -1.87 -2.42 116.57 117.18 2aiv h LYS 114 Ca 0.13 -0.09 0.04 0.00 -2.00 0.00 0.00 60.65 58.72 2aiv h LYS 114 Cb 0.66 -0.27 -0.05 0.00 -0.90 0.00 0.00 32.23 31.66 2aiv h LYS 114 CO 0.05 0.84 0.52 0.00 -2.00 0.00 0.00 179.45 178.85 2aiv h ARG 115 N 1.28 0.97 -0.90 0.07 3.08 -1.87 -2.23 114.38 114.76 2aiv h ARG 115 Ca 0.34 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 2aiv h ARG 115 Cb -0.11 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.67 2aiv h ARG 115 CO -0.07 0.64 0.53 0.45 -1.07 0.00 0.00 179.97 180.45 2aiv h HIS 116 N 1.00 1.20 -0.79 3.04 3.86 -1.44 -2.60 115.15 119.41 2aiv h HIS 116 Ca 0.33 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.49 2aiv h HIS 116 Cb 0.03 -0.39 -0.04 0.00 1.06 0.00 0.00 27.41 28.08 2aiv h HIS 116 CO -0.03 0.80 0.34 0.82 0.86 0.00 0.00 177.93 180.72 2aiv h ILE 117 N 1.25 1.26 -0.81 2.45 1.08 -1.24 -1.27 117.51 120.23 2aiv h ILE 117 Ca 0.32 -0.78 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 2aiv h ILE 117 Cb -0.04 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 33.96 2aiv h ILE 117 CO -0.06 0.32 0.48 -0.08 -0.69 0.00 0.00 178.15 178.12 2aiv h GLU 118 N 1.14 1.11 -0.44 2.37 4.57 -1.09 -1.25 114.58 120.99 2aiv h GLU 118 Ca 0.27 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 2aiv h GLU 118 Cb 0.18 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2aiv h GLU 118 CO -0.03 0.79 -0.15 0.00 -1.18 0.00 0.00 179.01 178.45 2aiv h ARG 119 N 1.11 0.81 -0.53 1.92 2.47 -1.24 -2.89 114.38 116.05 2aiv h ARG 119 Ca 0.29 -0.29 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 2aiv h ARG 119 Cb -0.02 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 2aiv h ARG 119 CO -0.05 0.91 0.15 -0.07 0.56 0.00 0.00 179.97 181.47 2aiv h LEU 120 N 0.73 0.73 -0.93 3.04 3.38 -0.51 -2.42 115.31 119.32 2aiv h LEU 120 Ca 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2aiv h LEU 120 Cb 0.65 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2aiv h LEU 120 CO 0.05 0.70 0.56 0.11 0.09 0.00 0.00 178.44 179.94 2aiv h LYS 121 N 0.77 1.26 -0.94 1.13 1.57 -1.04 -2.10 116.57 117.22 2aiv h LYS 121 Ca 0.18 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2aiv h LYS 121 Cb 0.24 -0.26 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 2aiv h LYS 121 CO -0.01 0.89 0.61 0.87 -0.57 0.00 0.00 179.45 181.24 2aiv h LYS 122 N 1.28 1.15 -6.06 3.15 1.79 -1.39 -3.47 116.57 113.01 2aiv h LYS 122 Ca 0.33 -0.07 -0.38 0.00 -2.18 0.00 0.00 60.65 58.35 2aiv h LYS 122 Cb -0.05 -0.26 0.10 0.00 -1.58 0.00 0.00 32.23 30.44 2aiv h LYS 122 CO -0.06 0.76 -0.89 -1.71 -1.08 0.00 0.00 179.45 176.47 2aiv n ASN 123 N -4.49 -5.69 -2.02 0.86 5.15 -0.79 -4.91 115.26 103.38 2aiv n ASN 123 Ca 0.12 -0.92 -0.23 0.00 -0.60 0.00 0.00 54.58 52.96 2aiv n ASN 123 Cb 0.09 -3.74 0.14 0.00 -0.53 0.00 0.00 39.78 35.74 2aiv n ASN 123 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2aiv n PRO 124 N -3.84 2.39 0.00 1.20 -0.04 -1.26 -4.65 135.00 128.79 2aiv n PRO 124 Ca -0.09 -3.22 0.00 0.00 -0.04 0.00 0.00 63.50 60.15 2aiv n PRO 124 Cb 0.59 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 2aiv n PRO 124 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aiv n ASN 125 N -1.05 0.00 -4.19 3.54 6.94 -1.26 -5.14 115.26 114.10 2aiv n ASN 125 Ca 0.54 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.91 2aiv n ASN 125 Cb 1.20 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 38.50 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2aiv s SER 126 N 0.00 1.80 -0.27 0.53 0.01 -1.26 -5.02 113.70 109.49 2aiv s SER 126 Ca 0.00 -0.63 -0.15 0.00 1.31 0.00 0.00 55.95 56.48 2aiv s SER 126 Cb 0.00 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 2aiv s SER 126 CO 0.00 -0.06 0.38 -0.75 0.41 0.00 0.00 173.24 173.23 2aiv s LYS 127 N -1.77 4.02 -0.26 12.44 2.20 -0.93 -4.48 119.74 130.96 2aiv s LYS 127 Ca -0.01 0.06 -0.25 0.00 -0.36 0.00 0.00 55.97 55.42 2aiv s LYS 127 Cb -0.10 -3.66 -0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2aiv s LYS 127 CO 0.03 -0.28 0.84 0.12 -0.36 0.00 0.00 175.35 175.69 2aiv s PHE 128 N 2.09 3.27 -0.01 4.03 5.36 -1.26 -0.42 117.98 131.04 2aiv s PHE 128 Ca 0.15 1.06 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 2aiv s PHE 128 Cb -0.16 -3.14 -0.00 0.00 -0.34 0.00 0.00 43.02 39.38 2aiv s PHE 128 CO 0.10 -0.47 -0.00 1.49 -1.46 0.00 0.00 175.22 174.88 2aiv h GLU 129 N 7.81 0.00 -1.74 10.12 4.81 -1.61 -3.47 114.58 130.51 2aiv h GLU 129 Ca -0.23 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.06 2aiv h GLU 129 Cb 1.09 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.26 2aiv h GLU 129 CO 0.89 0.00 0.49 -1.12 -0.73 0.00 0.00 179.01 178.53 2aiv s SER 130 N -3.29 -0.41 -0.04 1.04 0.01 -0.85 -4.99 113.70 105.17 2aiv s SER 130 Ca -0.00 0.38 0.07 0.00 1.31 0.00 0.00 55.95 57.71 2aiv s SER 130 Cb 0.00 0.35 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 2aiv s SER 130 CO 0.00 -0.43 -0.25 -0.47 0.41 0.00 0.00 173.24 172.50 2aiv s TYR 131 N -1.45 2.39 -0.31 2.43 6.14 -1.26 0.92 117.35 126.21 2aiv s TYR 131 Ca -0.02 -0.59 -0.06 0.00 0.64 0.00 0.00 57.07 57.04 2aiv s TYR 131 Cb -0.00 -1.55 0.03 0.00 0.42 0.00 0.00 41.96 40.85 2aiv s TYR 131 CO 0.01 -0.13 0.08 0.34 0.64 0.00 0.00 175.55 176.48 2aiv s ASP 132 N -0.37 5.14 0.16 4.32 3.68 -0.55 -4.98 116.67 124.07 2aiv s ASP 132 Ca 0.03 -0.98 -0.08 0.00 2.13 0.00 0.00 52.55 53.65 2aiv s ASP 132 Cb -0.12 -1.85 0.02 0.00 -1.45 0.00 0.00 42.92 39.53 2aiv s ASP 132 CO 0.02 -0.26 1.50 0.00 0.13 0.00 0.00 175.17 176.55 2aiv h ALA 133 N 8.19 0.63 -0.83 3.66 0.00 -1.90 0.89 119.26 129.90 2aiv h ALA 133 Ca -0.27 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 2aiv h ALA 133 Cb 1.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2aiv h ALA 133 CO 0.60 0.67 0.40 -0.44 0.00 0.00 0.00 179.25 180.48 2aiv h ASP 134 N 0.67 1.09 0.00 0.00 3.32 -1.95 -2.88 116.42 116.67 2aiv h ASP 134 Ca 0.05 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2aiv h ASP 134 Cb 1.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2aiv h ASP 134 CO 0.10 0.92 -1.07 -1.20 -1.72 0.00 0.00 179.24 176.26 2aiv n SER 135 N -4.30 0.92 0.00 6.45 7.64 -1.21 -4.95 113.62 118.17 2aiv n SER 135 Ca 0.08 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2aiv n SER 135 Cb 0.14 1.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 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 1.48 1.85 3.75 0.23 0.00 0.31 -4.94 105.19 107.86 2aiv n GLY 136 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.63 4.03 0.16 2.61 2.01 -1.18 -4.57 115.64 118.06 2aiv s THR 137 Ca 0.00 2.05 0.07 0.00 0.31 0.00 0.00 61.69 64.12 2aiv s THR 137 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2aiv s THR 137 CO 0.00 0.49 -0.16 -0.72 -0.69 0.00 0.00 174.62 173.54 2aiv s TYR 138 N -1.18 1.65 -0.17 4.92 1.13 -0.63 -1.48 117.35 121.60 2aiv s TYR 138 Ca 0.41 -0.52 -0.05 0.00 -1.41 0.00 0.00 57.07 55.50 2aiv s TYR 138 Cb -0.26 -0.82 -0.03 0.00 -1.10 0.00 0.00 41.96 39.74 2aiv s TYR 138 CO 0.33 0.27 0.01 0.14 -2.51 0.00 0.00 175.55 173.78 2aiv s VAL 139 N -2.28 4.30 0.02 -3.49 -7.23 0.26 -3.22 120.40 108.76 2aiv s VAL 139 Ca 0.15 -0.21 0.08 0.00 -1.81 0.00 0.00 61.98 60.19 2aiv s VAL 139 Cb -0.04 -2.91 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 2aiv s VAL 139 CO 0.05 0.48 -0.24 -0.36 -0.31 0.00 0.00 175.10 174.72 2aiv s PHE 140 N 0.34 2.38 -0.17 2.82 0.40 -0.83 -1.52 117.98 121.40 2aiv s PHE 140 Ca -0.01 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 2aiv s PHE 140 Cb -0.13 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 41.97 2aiv s PHE 140 CO 0.02 0.10 -0.21 0.42 0.70 0.00 0.00 175.22 176.25 2aiv s ILE 141 N -0.77 2.06 -1.09 0.64 -1.09 0.44 -1.89 121.20 119.50 2aiv s ILE 141 Ca 0.12 -0.95 -0.06 0.00 -2.23 0.00 0.00 60.65 57.53 2aiv s ILE 141 Cb -0.10 -1.84 0.30 0.00 -1.58 0.00 0.00 42.46 39.23 2aiv s ILE 141 CO 0.02 0.54 1.32 0.52 -1.23 0.00 0.00 174.94 176.11 2aiv n VAL 142 N 4.45 4.97 -3.01 2.92 0.31 -0.71 -2.18 118.33 125.08 2aiv n VAL 142 Ca -0.21 -5.70 -0.39 0.00 -0.01 0.00 0.00 64.34 58.03 2aiv n VAL 142 Cb 0.50 -2.28 -0.06 0.00 -0.91 0.00 0.00 33.84 31.10 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 -0.56 7.30 -1.35 4.52 0.01 -1.26 -3.89 114.94 119.71 2aiv s ASN 143 Ca 0.31 1.55 -0.09 0.00 -0.71 0.00 0.00 52.86 53.92 2aiv s ASN 143 Cb -0.01 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.18 2aiv s ASN 143 CO 0.03 0.15 1.18 1.41 -1.51 0.00 0.00 177.10 178.36 2aiv n HIS 144 N 2.01 -2.87 -0.34 2.20 8.25 -1.26 -4.89 115.22 118.32 2aiv n HIS 144 Ca -0.05 1.02 -0.03 0.00 -0.26 0.00 0.00 57.72 58.40 2aiv n HIS 144 Cb 0.49 -5.05 0.09 0.00 1.12 0.00 0.00 29.99 26.65 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 1.01 1.15 0.00 -1.41 0.00 -1.83 -3.40 119.26 114.79 2aiv h ALA 145 Ca -0.57 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2aiv h ALA 145 Cb 1.37 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2aiv h ALA 145 CO 0.56 0.55 -0.80 0.00 0.00 0.00 0.00 179.25 179.56 2aiv n ALA 146 N -2.35 2.96 -2.53 0.00 0.00 -1.26 -5.05 120.51 112.28 2aiv n ALA 146 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 2aiv n ALA 146 Cb 0.01 0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 2aiv n ALA 146 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2aiv s GLU 147 N -1.99 1.24 -0.26 0.00 2.02 -1.26 -5.07 118.70 113.38 2aiv s GLU 147 Ca 0.00 -0.96 -0.23 0.00 0.02 0.00 0.00 54.97 53.80 2aiv s GLU 147 Cb 0.00 -1.37 -0.01 0.00 0.10 0.00 0.00 34.13 32.85 2aiv s GLU 147 CO 0.00 0.34 0.74 -0.65 0.02 0.00 0.00 175.26 175.71 2aiv s GLN 148 N -1.35 4.09 0.00 1.61 -0.21 -1.26 -4.33 119.66 118.20 2aiv s GLN 148 Ca 0.06 0.68 0.00 0.00 0.02 0.00 0.00 55.36 56.13 2aiv s GLN 148 Cb -0.09 -3.67 0.00 0.00 1.00 0.00 0.00 33.01 30.25 2aiv s GLN 148 CO 0.02 -0.52 0.00 2.41 -2.12 0.00 0.00 175.29 175.08