#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3h s LEU 6 N 0.00 -0.47 -0.18 0.99 2.96 0.16 -4.76 118.68 117.38 2c3h s LEU 6 Ca 0.00 0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 54.54 2c3h s LEU 6 Cb 0.00 1.01 -0.04 0.00 0.50 0.00 0.00 46.19 47.66 2c3h s LEU 6 CO 0.00 -0.25 0.05 -0.89 -1.32 0.00 0.00 176.35 173.94 2c3h s THR 7 N 2.51 4.68 -0.04 3.68 2.01 -1.26 -1.21 115.64 126.01 2c3h s THR 7 Ca 0.01 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.00 2c3h s THR 7 Cb -0.12 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 2c3h s THR 7 CO -0.11 0.47 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.43 2c3h s ILE 8 N 0.34 1.86 -0.06 1.82 -1.09 0.01 -4.14 121.20 119.94 2c3h s ILE 8 Ca 0.02 -0.98 0.05 0.00 -2.23 0.00 0.00 60.65 57.51 2c3h s ILE 8 Cb -0.13 -1.57 -0.02 0.00 -1.58 0.00 0.00 42.46 39.17 2c3h s ILE 8 CO 0.00 0.52 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.72 2c3h s TYR 9 N -0.28 2.55 -0.05 3.97 2.02 0.34 -1.24 117.35 124.66 2c3h s TYR 9 Ca 0.01 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 2c3h s TYR 9 Cb -0.12 -1.64 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 2c3h s TYR 9 CO 0.02 -0.11 -0.07 0.12 -1.57 0.00 0.00 175.55 173.93 2c3h s PHE 10 N -0.24 1.04 -0.41 2.71 5.36 0.23 -0.45 117.98 126.21 2c3h s PHE 10 Ca -0.00 -0.35 -0.20 0.00 -0.96 0.00 0.00 56.93 55.41 2c3h s PHE 10 Cb -0.13 -0.84 0.02 0.00 -0.34 0.00 0.00 43.02 41.73 2c3h s PHE 10 CO 0.03 -0.24 0.63 0.21 -1.46 0.00 0.00 175.22 174.39 2c3h s LYS 11 N 0.86 3.39 0.05 10.12 2.47 -0.65 -0.18 119.74 135.80 2c3h s LYS 11 Ca -0.12 -0.27 -0.31 0.00 -1.56 0.00 0.00 55.97 53.72 2c3h s LYS 11 Cb -0.15 -3.91 -0.07 0.00 -1.46 0.00 0.00 37.83 32.24 2c3h s LYS 11 CO 0.01 -0.92 1.55 0.21 0.16 0.00 0.00 175.35 176.36 2c3h s LYS 12 N 2.76 4.23 0.77 4.03 2.20 0.98 -4.87 119.74 129.84 2c3h s LYS 12 Ca 0.23 2.19 -0.15 0.00 -0.36 0.00 0.00 55.97 57.88 2c3h s LYS 12 Cb -0.14 -3.57 0.05 0.00 -1.51 0.00 0.00 37.83 32.66 2c3h s LYS 12 CO 0.18 -0.67 1.14 -2.30 -0.36 0.00 0.00 175.35 173.34 2c3h n PRO 13 N 5.43 0.40 -0.19 4.03 -0.02 -1.26 -4.93 135.00 138.45 2c3h n PRO 13 Ca 0.15 0.20 -0.09 0.00 -2.02 0.00 0.00 63.50 61.74 2c3h n PRO 13 Cb 0.42 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 2c3h n PRO 13 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2c3h h ASP 14 N -0.54 0.92 0.37 2.55 3.45 -1.99 -2.92 116.42 118.26 2c3h h ASP 14 Ca -0.47 -0.29 0.00 0.00 0.43 0.00 0.00 57.03 56.70 2c3h h ASP 14 Cb 1.31 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 2c3h h ASP 14 CO 0.47 0.98 0.00 0.77 -1.57 0.00 0.00 179.24 179.89 2c3h h SER 15 N 0.83 0.00 -3.99 6.45 4.64 -2.04 -3.43 113.55 116.01 2c3h h SER 15 Ca 0.16 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 61.02 2c3h h SER 15 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2c3h h SER 15 CO 0.02 0.00 0.28 0.26 -0.87 0.00 0.00 176.83 176.52 2c3h s TRP 16 N -3.49 3.38 0.44 4.77 0.52 -1.11 -5.09 118.94 118.36 2c3h s TRP 16 Ca 0.00 1.43 -0.07 0.00 0.02 0.00 0.00 56.10 57.48 2c3h s TRP 16 Cb 0.08 -2.73 0.10 0.00 -1.15 0.00 0.00 33.47 29.78 2c3h s TRP 16 CO 0.31 -0.14 0.50 0.41 0.02 0.00 0.00 176.95 178.04 2c3h n GLY 17 N -0.92 -1.82 3.72 0.98 0.00 -1.26 -4.93 105.19 100.95 2c3h n GLY 17 Ca 0.06 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2c3h n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c3h s THR 18 N -2.02 2.76 0.39 2.61 2.01 -1.26 -4.76 115.64 115.37 2c3h s THR 18 Ca 0.30 0.55 -0.27 0.00 0.31 0.00 0.00 61.69 62.58 2c3h s THR 18 Cb -0.02 -3.35 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 2c3h s THR 18 CO 0.22 0.04 1.35 -2.84 -0.69 0.00 0.00 174.62 172.70 2c3h s PRO 19 N 1.10 4.06 -0.00 4.92 0.02 -1.26 -4.45 135.00 139.39 2c3h s PRO 19 Ca 0.69 2.28 0.04 0.00 0.02 0.00 0.00 61.00 64.03 2c3h s PRO 19 Cb -0.42 -2.87 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 2c3h s PRO 19 CO 0.31 -0.46 -0.12 -1.01 -0.33 0.00 0.00 177.00 175.40 2c3h s HIS 20 N -1.20 2.76 -0.47 6.54 3.76 0.36 -0.86 115.29 126.17 2c3h s HIS 20 Ca 0.54 -0.12 -0.14 0.00 -0.15 0.00 0.00 55.06 55.19 2c3h s HIS 20 Cb -0.41 -1.58 0.09 0.00 1.11 0.00 0.00 32.58 31.79 2c3h s HIS 20 CO 0.53 0.29 0.38 -1.17 -0.85 0.00 0.00 174.74 173.93 2c3h s LEU 21 N -1.21 5.64 0.04 0.89 2.96 -0.87 -0.84 118.68 125.28 2c3h s LEU 21 Ca 0.15 -1.50 -0.20 0.00 -0.22 0.00 0.00 54.13 52.36 2c3h s LEU 21 Cb -0.11 -2.13 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 2c3h s LEU 21 CO 0.05 -0.67 0.60 -0.47 -1.32 0.00 0.00 176.35 174.54 2c3h s TYR 22 N 1.57 3.75 0.03 5.38 5.04 0.39 -4.38 117.35 129.13 2c3h s TYR 22 Ca 0.04 1.27 -0.01 0.00 -2.44 0.00 0.00 57.07 55.92 2c3h s TYR 22 Cb -0.25 -2.57 -0.02 0.00 0.35 0.00 0.00 41.96 39.46 2c3h s TYR 22 CO 0.04 0.46 -0.00 1.52 -1.34 0.00 0.00 175.55 176.23 2c3h s TYR 23 N -0.65 0.34 0.17 4.97 1.13 -1.26 -0.52 117.35 121.53 2c3h s TYR 23 Ca 0.31 -0.71 -0.02 0.00 -1.41 0.00 0.00 57.07 55.24 2c3h s TYR 23 Cb -0.19 -0.25 0.01 0.00 -1.10 0.00 0.00 41.96 40.43 2c3h s TYR 23 CO 0.19 -0.29 0.25 2.48 -2.51 0.00 0.00 175.55 175.67 2c3h n TYR 24 N 0.93 -1.02 -3.00 -3.49 4.11 -0.04 -4.59 117.16 110.05 2c3h n TYR 24 Ca -0.20 -1.07 -0.21 0.00 -0.00 0.00 0.00 57.90 56.42 2c3h n TYR 24 Cb 0.58 0.29 0.02 0.00 -0.00 0.00 0.00 39.34 40.22 2c3h n TYR 24 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2c3h n ASP 25 N -1.80 -5.16 -4.77 9.48 9.92 -1.26 -1.13 116.55 121.84 2c3h n ASP 25 Ca -0.00 -0.24 -0.39 0.00 -0.53 0.00 0.00 54.79 53.62 2c3h n ASP 25 Cb 0.28 -4.22 -0.00 0.00 -0.64 0.00 0.00 41.12 36.53 2c3h n ASP 25 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2c3h s THR 26 N -3.03 2.56 -0.14 -3.53 -4.23 -1.26 -4.26 115.64 101.75 2c3h s THR 26 Ca 0.27 0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 61.23 2c3h s THR 26 Cb -0.13 -3.29 0.07 0.00 1.34 0.00 0.00 72.50 70.49 2c3h s THR 26 CO 0.34 0.07 0.25 0.21 -0.54 0.00 0.00 174.62 174.94 2c3h s ASN 27 N -0.75 0.56 0.80 3.99 3.84 -0.94 -3.44 114.94 118.99 2c3h s ASN 27 Ca 0.58 0.43 -0.11 0.00 0.21 0.00 0.00 52.86 53.97 2c3h s ASN 27 Cb -0.38 0.61 0.08 0.00 -0.55 0.00 0.00 41.25 41.00 2c3h s ASN 27 CO 0.49 -0.25 1.12 -2.16 -2.79 0.00 0.00 177.10 173.50 2c3h s PRO 28 N 2.39 1.94 0.06 0.43 0.04 -1.26 -0.88 135.00 137.73 2c3h s PRO 28 Ca 0.03 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 2c3h s PRO 28 Cb -0.13 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 2c3h s PRO 28 CO -0.09 -1.91 1.87 0.21 0.04 0.00 0.00 177.00 177.13 2c3h s LYS 29 N -4.71 4.15 0.44 4.56 2.47 -1.22 -4.74 119.74 120.68 2c3h s LYS 29 Ca 0.64 2.56 0.03 0.00 -1.56 0.00 0.00 55.97 57.64 2c3h s LYS 29 Cb -0.20 -3.90 -0.02 0.00 -1.46 0.00 0.00 37.83 32.26 2c3h s LYS 29 CO 0.55 -0.89 0.10 0.54 0.16 0.00 0.00 175.35 175.81 2c3h s VAL 30 N 3.67 0.69 0.36 4.02 0.11 -1.26 -5.09 120.40 122.90 2c3h s VAL 30 Ca 0.84 -2.00 -0.28 0.00 -2.93 0.00 0.00 61.98 57.60 2c3h s VAL 30 Cb -0.43 -2.26 -0.11 0.00 -1.53 0.00 0.00 36.38 32.06 2c3h s VAL 30 CO 0.38 0.00 1.45 -1.81 -3.33 0.00 0.00 175.10 171.79 2c3h s ASP 31 N -3.69 6.43 -0.32 3.54 1.01 -1.26 -4.93 116.67 117.46 2c3h s ASP 31 Ca 0.18 2.97 0.00 0.00 0.71 0.00 0.00 52.55 56.41 2c3h s ASP 31 Cb 0.02 -2.66 0.10 0.00 1.01 0.00 0.00 42.92 41.38 2c3h s ASP 31 CO 0.11 -0.80 0.09 -1.61 0.21 0.00 0.00 175.17 173.17 2c3h s GLU 32 N -1.96 0.87 0.79 8.23 2.02 -1.26 -5.05 118.70 122.34 2c3h s GLU 32 Ca 0.52 -1.24 -0.15 0.00 0.02 0.00 0.00 54.97 54.12 2c3h s GLU 32 Cb -0.45 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 2c3h s GLU 32 CO 0.60 -0.98 0.39 -2.30 0.02 0.00 0.00 175.26 173.00 2c3h n PRO 33 N 4.72 0.12 -1.39 0.39 -0.02 -1.26 -5.01 135.00 132.55 2c3h n PRO 33 Ca -0.01 0.08 -0.30 0.00 -2.02 0.00 0.00 63.50 61.25 2c3h n PRO 33 Cb 0.42 -1.76 0.09 0.00 -0.02 0.00 0.00 33.50 32.23 2c3h n PRO 33 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2c3h s THR 34 N -2.04 3.27 0.20 3.45 2.01 -1.26 -4.79 115.64 116.47 2c3h s THR 34 Ca 0.61 0.41 -0.19 0.00 0.31 0.00 0.00 61.69 62.84 2c3h s THR 34 Cb -0.31 -3.02 0.16 0.00 0.01 0.00 0.00 72.50 69.34 2c3h s THR 34 CO 0.62 -0.54 1.59 -0.25 -0.69 0.00 0.00 174.62 175.36 2c3h h TRP 35 N -1.13 -0.79 0.00 4.92 2.91 -1.98 -0.91 115.95 118.97 2c3h h TRP 35 Ca -0.46 0.07 -0.07 0.00 1.13 0.00 0.00 58.89 59.57 2c3h h TRP 35 Cb 1.25 0.44 -0.01 0.00 -0.51 0.00 0.00 29.16 30.33 2c3h h TRP 35 CO 0.52 -0.36 -0.31 0.66 -1.03 0.00 0.00 178.44 177.92 2c3h h SER 36 N -0.12 0.00 1.03 2.65 4.64 -2.00 -3.23 113.55 116.51 2c3h h SER 36 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2c3h h SER 36 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2c3h h SER 36 CO -0.69 0.31 -0.51 -0.08 -0.87 0.00 0.00 176.83 174.99 2c3h h GLU 37 N 0.00 0.00 -6.39 4.77 4.81 -1.71 -3.47 114.58 112.58 2c3h h GLU 37 Ca -0.00 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.60 2c3h h GLU 37 Cb 1.01 0.00 0.06 0.00 0.63 0.00 0.00 28.75 30.45 2c3h h GLU 37 CO 0.04 0.00 0.59 0.00 -0.73 0.00 0.00 179.01 178.91 2c3h n ALA 38 N -1.85 0.15 -1.77 2.92 0.00 -0.42 -4.80 120.51 114.73 2c3h n ALA 38 Ca 0.03 0.48 -0.38 0.00 0.00 0.00 0.00 53.44 53.57 2c3h n ALA 38 Cb 0.45 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 2c3h n ALA 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2c3h s PRO 39 N 0.54 4.15 0.21 0.00 0.04 -1.26 -4.79 135.00 133.89 2c3h s PRO 39 Ca 0.80 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 63.24 2c3h s PRO 39 Cb -0.81 -2.68 -0.13 0.00 0.04 0.00 0.00 34.50 30.91 2c3h s PRO 39 CO 0.44 -0.21 1.49 -1.91 0.04 0.00 0.00 177.00 176.85 2c3h n GLU 40 N 0.14 2.13 -2.51 4.56 2.13 -1.26 -2.06 120.64 123.77 2c3h n GLU 40 Ca 0.04 0.76 -0.40 0.00 0.66 0.00 0.00 57.16 58.22 2c3h n GLU 40 Cb 0.47 -2.47 -0.04 0.00 0.27 0.00 0.00 31.44 29.67 2c3h n GLU 40 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2c3h s MET 41 N 0.08 4.60 0.44 5.31 -1.94 -0.04 -4.86 119.30 122.89 2c3h s MET 41 Ca 0.72 1.74 -0.22 0.00 -1.71 0.00 0.00 55.69 56.22 2c3h s MET 41 Cb -0.65 -3.12 -0.09 0.00 2.01 0.00 0.00 34.83 32.98 2c3h s MET 41 CO 0.45 0.20 1.04 -1.83 -0.01 0.00 0.00 175.02 174.87 2c3h s GLU 42 N -1.55 4.01 0.18 2.03 -1.05 0.13 -4.75 118.70 117.72 2c3h s GLU 42 Ca 0.46 1.41 -0.32 0.00 -0.15 0.00 0.00 54.97 56.37 2c3h s GLU 42 Cb -0.30 -2.32 -0.11 0.00 -0.44 0.00 0.00 34.13 30.96 2c3h s GLU 42 CO 0.39 -0.26 1.66 -1.58 0.95 0.00 0.00 175.26 176.41 2c3h s HIS 43 N -1.84 2.94 -0.16 4.83 5.65 -1.26 -0.57 115.29 124.88 2c3h s HIS 43 Ca 0.62 0.46 -0.00 0.00 0.25 0.00 0.00 55.06 56.39 2c3h s HIS 43 Cb -0.18 -4.04 0.03 0.00 -1.18 0.00 0.00 32.58 27.21 2c3h s HIS 43 CO 0.23 -3.93 -0.08 -0.47 -0.65 0.00 0.00 174.74 169.84 2c3h s TYR 44 N 1.24 1.85 0.00 3.88 5.04 -0.11 -4.82 117.35 124.42 2c3h s TYR 44 Ca 0.73 -1.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 2c3h s TYR 44 Cb -0.47 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 40.45 2c3h s TYR 44 CO 0.32 -0.62 0.00 -1.91 -1.34 0.00 0.00 175.55 171.99 2c3h n GLU 45 N 4.84 0.00 0.00 4.97 2.13 -1.26 -3.29 120.64 128.03 2c3h n GLU 45 Ca -0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 2c3h n GLU 45 Cb 0.48 -0.35 0.00 0.00 0.27 0.00 0.00 31.44 31.84 2c3h n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3h n GLY 46 N 1.30 2.97 0.10 8.31 0.00 -1.26 -1.32 105.19 115.29 2c3h n GLY 46 Ca 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.83 2c3h n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c3h n ASP 47 N 3.72 0.30 -4.83 1.61 8.00 -1.26 -4.90 116.55 119.20 2c3h n ASP 47 Ca 0.00 -1.51 -0.38 0.00 0.71 0.00 0.00 54.79 53.61 2c3h n ASP 47 Cb 0.00 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 2c3h n ASP 47 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2c3h s TRP 48 N -1.96 3.67 0.29 1.24 0.52 -0.44 -0.01 118.94 122.25 2c3h s TRP 48 Ca 0.27 0.87 0.07 0.00 0.02 0.00 0.00 56.10 57.33 2c3h s TRP 48 Cb 0.13 -2.25 -0.06 0.00 -1.15 0.00 0.00 33.47 30.14 2c3h s TRP 48 CO 0.21 0.59 -0.06 0.71 0.02 0.00 0.00 176.95 178.42 2c3h s TYR 49 N -0.82 2.02 0.05 -1.98 2.02 0.75 -0.93 117.35 118.46 2c3h s TYR 49 Ca 0.22 -0.68 -0.05 0.00 -0.37 0.00 0.00 57.07 56.18 2c3h s TYR 49 Cb -0.15 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 2c3h s TYR 49 CO 0.11 0.31 0.09 -0.08 -1.57 0.00 0.00 175.55 174.41 2c3h s THR 50 N -2.96 0.15 -0.24 -0.71 -1.32 0.26 -0.60 115.64 110.22 2c3h s THR 50 Ca 0.30 -1.25 -0.19 0.00 -1.21 0.00 0.00 61.69 59.35 2c3h s THR 50 Cb 0.04 -1.10 0.07 0.00 -1.51 0.00 0.00 72.50 69.99 2c3h s THR 50 CO 0.13 -0.69 0.63 -2.28 -2.21 0.00 0.00 174.62 170.20 2c3h s HIS 51 N -3.11 -0.78 -0.24 9.09 2.46 -0.37 -0.69 115.29 121.65 2c3h s HIS 51 Ca -0.01 1.77 -0.08 0.00 0.47 0.00 0.00 55.06 57.21 2c3h s HIS 51 Cb 0.02 0.34 -0.04 0.00 -0.13 0.00 0.00 32.58 32.77 2c3h s HIS 51 CO -0.07 -0.39 0.10 0.99 -2.47 0.00 0.00 174.74 172.90 2c3h s THR 52 N 0.77 4.69 -0.13 0.89 2.01 -1.26 -0.81 115.64 121.79 2c3h s THR 52 Ca -0.04 -0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 2c3h s THR 52 Cb -0.05 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2c3h s THR 52 CO -0.06 0.35 0.64 -0.63 -0.69 0.00 0.00 174.62 174.23 2c3h s ILE 53 N 1.29 5.06 0.14 1.82 1.01 -0.35 -4.94 121.20 125.23 2c3h s ILE 53 Ca 0.05 1.26 -0.10 0.00 0.00 0.00 0.00 60.65 61.86 2c3h s ILE 53 Cb -0.15 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 2c3h s ILE 53 CO 0.04 0.20 0.47 -1.61 0.00 0.00 0.00 174.94 174.05 2c3h s GLU 54 N 1.27 3.81 -0.76 2.79 0.41 -1.26 -0.67 118.70 124.29 2c3h s GLU 54 Ca 0.32 0.25 0.00 0.00 -0.41 0.00 0.00 54.97 55.13 2c3h s GLU 54 Cb -0.16 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 2c3h s GLU 54 CO 0.13 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.78 2c3h n GLY 55 N 0.53 0.13 3.03 -1.39 0.00 -1.26 -4.96 105.19 101.27 2c3h n GLY 55 Ca -0.05 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2c3h n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3h s VAL 56 N -2.42 0.81 -0.15 1.61 0.11 -1.26 -4.26 120.40 114.83 2c3h s VAL 56 Ca 0.00 -0.41 0.12 0.00 -2.93 0.00 0.00 61.98 58.76 2c3h s VAL 56 Cb 0.00 -0.69 -0.18 0.00 -1.53 0.00 0.00 36.38 33.98 2c3h s VAL 56 CO 0.00 0.24 0.03 -0.62 -3.33 0.00 0.00 175.10 171.41 2c3h n GLU 57 N 3.00 1.45 -3.91 1.54 -0.58 -0.06 -4.13 120.64 117.95 2c3h n GLU 57 Ca -0.15 0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.50 2c3h n GLU 57 Cb 0.56 -1.38 -0.09 0.00 -0.57 0.00 0.00 31.44 29.96 2c3h n GLU 57 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2c3h s SER 58 N -4.94 0.17 0.11 1.62 1.04 -0.77 -2.46 113.70 108.48 2c3h s SER 58 Ca -0.09 -0.58 -0.16 0.00 0.48 0.00 0.00 55.95 55.59 2c3h s SER 58 Cb 0.05 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.46 2c3h s SER 58 CO 0.59 -0.58 0.39 0.54 0.98 0.00 0.00 173.24 175.16 2c3h s VAL 59 N -3.06 0.07 -0.04 5.02 0.11 0.60 -2.22 120.40 120.89 2c3h s VAL 59 Ca -0.01 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 2c3h s VAL 59 Cb 0.01 -1.14 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 2c3h s VAL 59 CO -0.07 -0.32 -0.04 -0.13 -3.33 0.00 0.00 175.10 171.21 2c3h s ARG 60 N -3.63 2.74 0.02 1.54 0.52 -0.28 -1.97 118.95 117.88 2c3h s ARG 60 Ca 0.02 -0.59 -0.10 0.00 -0.52 0.00 0.00 55.73 54.54 2c3h s ARG 60 Cb 0.02 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.88 2c3h s ARG 60 CO -0.11 0.64 0.20 -0.48 0.02 0.00 0.00 175.30 175.57 2c3h s LEU 61 N -1.16 1.34 0.02 2.53 0.05 -0.02 -0.86 118.68 120.57 2c3h s LEU 61 Ca 0.15 -0.23 0.03 0.00 0.05 0.00 0.00 54.13 54.14 2c3h s LEU 61 Cb -0.11 0.91 -0.02 0.00 -2.05 0.00 0.00 46.19 44.92 2c3h s LEU 61 CO 0.05 -0.47 -0.10 -0.76 -0.55 0.00 0.00 176.35 174.52 2c3h s LEU 62 N -1.69 2.12 0.12 1.48 1.02 0.33 -0.67 118.68 121.38 2c3h s LEU 62 Ca -0.10 -0.34 -0.15 0.00 0.02 0.00 0.00 54.13 53.56 2c3h s LEU 62 Cb -0.04 -0.44 -0.07 0.00 0.02 0.00 0.00 46.19 45.66 2c3h s LEU 62 CO -0.00 0.02 0.54 -0.36 0.02 0.00 0.00 176.35 176.56 2c3h s PHE 63 N -0.66 3.64 0.11 0.29 0.08 -0.23 -0.46 117.98 120.75 2c3h s PHE 63 Ca 0.00 1.08 -0.13 0.00 0.12 0.00 0.00 56.93 58.00 2c3h s PHE 63 Cb -0.06 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 40.03 2c3h s PHE 63 CO 0.00 0.47 0.30 -1.59 -0.10 0.00 0.00 175.22 174.31 2c3h s LYS 64 N -1.77 0.96 0.00 0.44 -2.85 -0.02 -0.50 119.74 116.00 2c3h s LYS 64 Ca 0.35 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 2c3h s LYS 64 Cb -0.16 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 2c3h s LYS 64 CO 0.19 -0.34 0.00 -0.40 0.10 0.00 0.00 175.35 174.89 2c3h n ASP 65 N -0.13 0.12 0.16 0.03 5.68 -1.05 0.13 116.55 121.49 2c3h n ASP 65 Ca -0.16 -0.92 0.12 0.00 -0.50 0.00 0.00 54.79 53.33 2c3h n ASP 65 Cb 0.63 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.85 2c3h n ASP 65 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2c3h h ARG 66 N 0.00 0.00 0.00 0.11 2.47 -1.90 -3.44 114.38 111.62 2c3h h ARG 66 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2c3h h ARG 66 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2c3h h ARG 66 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 2c3h n GLY 67 N 1.19 0.46 0.26 0.04 0.00 -1.26 -4.99 105.19 100.89 2c3h n GLY 67 Ca 0.04 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.74 2c3h n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c3h n THR 68 N 0.00 0.12 -1.96 2.61 -2.24 -1.26 -4.98 114.28 106.56 2c3h n THR 68 Ca 0.00 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 2c3h n THR 68 Cb 0.00 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 2c3h n THR 68 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2c3h s ASN 69 N -0.57 6.59 0.17 3.42 0.02 -1.26 -5.00 114.94 118.32 2c3h s ASN 69 Ca 0.08 2.69 -0.20 0.00 -1.02 0.00 0.00 52.86 54.41 2c3h s ASN 69 Cb 0.05 -2.62 0.05 0.00 0.02 0.00 0.00 41.25 38.76 2c3h s ASN 69 CO 0.08 -0.77 0.56 0.00 0.02 0.00 0.00 177.10 176.99 2c3h s GLN 70 N 0.03 1.31 -0.19 -0.60 -2.07 -1.26 -2.53 119.66 114.35 2c3h s GLN 70 Ca 0.63 -0.65 -0.04 0.00 -1.82 0.00 0.00 55.36 53.48 2c3h s GLN 70 Cb -0.43 0.55 0.10 0.00 -1.09 0.00 0.00 33.01 32.14 2c3h s GLN 70 CO 0.41 -0.56 0.32 -0.46 -1.32 0.00 0.00 175.29 173.68 2c3h s TRP 71 N -3.80 -0.60 0.14 9.60 -0.11 0.35 -4.34 118.94 120.17 2c3h s TRP 71 Ca 0.04 0.92 -0.02 0.00 1.22 0.00 0.00 56.10 58.26 2c3h s TRP 71 Cb -0.01 -0.00 0.03 0.00 -1.50 0.00 0.00 33.47 31.99 2c3h s TRP 71 CO -0.09 -0.53 0.16 -0.35 -4.62 0.00 0.00 176.95 171.52 2c3h n PRO 72 N 5.36 -0.68 -0.91 5.86 -0.04 -1.26 -1.07 135.00 142.26 2c3h n PRO 72 Ca -0.06 -0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 62.87 2c3h n PRO 72 Cb 0.50 -0.19 0.22 0.00 -0.04 0.00 0.00 33.50 33.98 2c3h n PRO 72 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c3h s GLY 73 N -3.09 1.55 -0.24 0.55 0.00 -1.26 -4.85 107.32 99.97 2c3h s GLY 73 Ca 0.09 -0.37 -0.39 0.00 0.00 0.00 0.00 44.72 44.05 2c3h s GLY 73 CO 0.07 0.33 1.74 -1.05 0.00 0.00 0.00 173.10 174.19 2c3h n PRO 74 N -4.57 1.26 0.00 2.90 -0.02 -1.26 -1.60 135.00 131.71 2c3h n PRO 74 Ca 0.05 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2c3h n PRO 74 Cb 0.57 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2c3h n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c3h n GLY 75 N 4.13 2.96 3.74 -1.23 0.00 -1.26 -5.00 105.19 108.54 2c3h n GLY 75 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 2c3h n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3h s GLU 76 N -0.01 4.47 0.29 1.61 0.41 -0.63 -4.95 118.70 119.89 2c3h s GLU 76 Ca 0.00 1.92 -0.28 0.00 -0.41 0.00 0.00 54.97 56.20 2c3h s GLU 76 Cb 0.00 -3.22 -0.14 0.00 -1.78 0.00 0.00 34.13 28.99 2c3h s GLU 76 CO 0.00 -0.11 1.10 -2.30 -0.49 0.00 0.00 175.26 173.47 2c3h n PRO 77 N 2.36 1.56 -1.32 0.39 -0.02 -1.26 -4.82 135.00 131.89 2c3h n PRO 77 Ca 0.04 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 2c3h n PRO 77 Cb 0.44 -1.99 0.10 0.00 -0.02 0.00 0.00 33.50 32.03 2c3h n PRO 77 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2c3h s GLY 78 N -0.43 2.15 0.19 -1.23 0.00 -1.26 -4.84 107.32 101.91 2c3h s GLY 78 Ca 0.59 0.74 -0.33 0.00 0.00 0.00 0.00 44.72 45.72 2c3h s GLY 78 CO 0.60 1.14 1.59 0.69 0.00 0.00 0.00 173.10 177.11 2c3h n PHE 79 N -3.03 2.42 -2.94 1.90 3.72 0.15 -4.39 117.46 115.29 2c3h n PHE 79 Ca 0.12 0.24 -0.40 0.00 -0.05 0.00 0.00 57.45 57.36 2c3h n PHE 79 Cb 0.51 -2.57 -0.04 0.00 -0.94 0.00 0.00 39.48 36.44 2c3h n PHE 79 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2c3h s PHE 80 N 0.76 3.64 0.11 1.38 5.36 -1.26 -0.84 117.98 127.13 2c3h s PHE 80 Ca 0.75 1.42 -0.19 0.00 -0.96 0.00 0.00 56.93 57.96 2c3h s PHE 80 Cb -0.62 -2.89 0.04 0.00 -0.34 0.00 0.00 43.02 39.21 2c3h s PHE 80 CO 0.39 0.11 0.46 1.03 -1.46 0.00 0.00 175.22 175.74 2c3h s ARG 81 N 0.65 1.08 0.00 10.12 0.52 -0.83 -4.95 118.95 125.54 2c3h s ARG 81 Ca 0.42 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 2c3h s ARG 81 Cb -0.19 0.49 0.00 0.00 0.52 0.00 0.00 34.95 35.76 2c3h s ARG 81 CO 0.22 -0.43 0.00 -3.47 0.02 0.00 0.00 175.30 171.64 2c3h n ASP 82 N -0.07 0.00 -3.51 0.23 4.64 -1.03 0.22 116.55 117.03 2c3h n ASP 82 Ca -0.17 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.15 2c3h n ASP 82 Cb 0.63 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.69 2c3h n ASP 82 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2c3h s GLN 83 N 0.00 1.10 0.67 -0.67 -2.07 -1.26 -4.80 119.66 112.63 2c3h s GLN 83 Ca 0.00 -0.44 -0.17 0.00 -1.82 0.00 0.00 55.36 52.93 2c3h s GLN 83 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 2c3h s GLN 83 CO 0.00 -0.48 1.27 -0.51 -1.32 0.00 0.00 175.29 174.25 2c3h s ASP 84 N -2.65 4.44 0.00 12.60 -0.00 -1.26 -4.89 116.67 124.91 2c3h s ASP 84 Ca 0.04 2.57 0.00 0.00 -0.00 0.00 0.00 52.55 55.16 2c3h s ASP 84 Cb -0.01 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.29 2c3h s ASP 84 CO -0.09 -2.11 0.00 0.61 -0.00 0.00 0.00 175.17 173.58 2c3h n GLY 85 N 0.80 0.00 3.10 0.21 0.00 -1.23 -4.67 105.19 103.41 2c3h n GLY 85 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2c3h n GLY 85 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2c3h s TRP 86 N 0.00 2.50 -0.17 1.61 0.52 -0.12 0.13 118.94 123.41 2c3h s TRP 86 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 56.10 54.75 2c3h s TRP 86 Cb 0.00 -1.75 0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2c3h s TRP 86 CO 0.00 -0.68 -0.11 0.12 0.02 0.00 0.00 176.95 176.30 2c3h s PHE 87 N 1.16 2.17 -0.13 -1.98 5.36 0.40 -0.33 117.98 124.63 2c3h s PHE 87 Ca 0.00 -1.32 0.18 0.00 -0.96 0.00 0.00 56.93 54.83 2c3h s PHE 87 Cb -0.14 -1.56 0.43 0.00 -0.34 0.00 0.00 43.02 41.41 2c3h s PHE 87 CO -0.08 -0.68 1.19 -0.40 -1.46 0.00 0.00 175.22 173.79 2c3h n ASP 88 N 4.76 1.57 0.00 6.13 3.85 -1.26 -1.63 116.55 129.96 2c3h n ASP 88 Ca -0.15 -3.01 0.00 0.00 -0.71 0.00 0.00 54.79 50.91 2c3h n ASP 88 Cb 0.48 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 2c3h n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c3h n GLY 89 N -0.39 1.83 3.18 6.12 0.00 -1.26 -5.00 105.19 109.66 2c3h n GLY 89 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2c3h n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3h s GLU 90 N -0.08 1.00 0.18 1.61 0.41 -1.26 -5.16 118.70 115.40 2c3h s GLU 90 Ca 0.00 -1.48 -0.08 0.00 -0.41 0.00 0.00 54.97 53.00 2c3h s GLU 90 Cb 0.00 0.10 -0.06 0.00 -1.78 0.00 0.00 34.13 32.39 2c3h s GLU 90 CO 0.00 -0.24 0.47 -1.58 -0.49 0.00 0.00 175.26 173.42 2c3h s TRP 91 N -3.95 3.46 -0.07 1.61 0.52 -1.26 -4.27 118.94 114.98 2c3h s TRP 91 Ca 0.25 0.74 -0.11 0.00 0.02 0.00 0.00 56.10 57.01 2c3h s TRP 91 Cb 0.07 -2.15 0.02 0.00 -1.15 0.00 0.00 33.47 30.26 2c3h s TRP 91 CO 0.03 0.36 0.27 -1.01 0.02 0.00 0.00 176.95 176.63 2c3h s HIS 92 N -1.71 -0.24 0.26 -1.98 3.76 0.55 -4.98 115.29 110.95 2c3h s HIS 92 Ca 0.43 0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 55.86 2c3h s HIS 92 Cb -0.12 0.09 0.32 0.00 1.11 0.00 0.00 32.58 33.98 2c3h s HIS 92 CO 0.22 -0.22 1.79 -0.39 -0.85 0.00 0.00 174.74 175.30 2c3h h VAL 93 N 4.46 1.24 -2.93 -0.90 -1.51 -1.86 -0.28 116.25 114.47 2c3h h VAL 93 Ca -0.27 -0.87 -0.44 0.00 -1.23 0.00 0.00 66.70 63.89 2c3h h VAL 93 Cb 1.19 0.63 -0.14 0.00 -2.13 0.00 0.00 31.29 30.84 2c3h h VAL 93 CO 0.35 0.33 -0.72 -1.81 -1.23 0.00 0.00 177.57 174.49 2c3h s ASP 94 N -6.54 2.47 0.16 4.19 -0.00 -1.26 -4.05 116.67 111.63 2c3h s ASP 94 Ca -0.10 -1.04 -0.31 0.00 -0.00 0.00 0.00 52.55 51.09 2c3h s ASP 94 Cb 0.15 -0.12 -0.11 0.00 -0.00 0.00 0.00 42.92 42.84 2c3h s ASP 94 CO 0.81 -0.22 1.77 -0.60 -0.00 0.00 0.00 175.17 176.94 2c3h s ARG 95 N -3.67 4.13 0.00 8.23 3.52 -1.26 -4.84 118.95 125.06 2c3h s ARG 95 Ca 0.23 2.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.42 2c3h s ARG 95 Cb 0.00 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 2c3h s ARG 95 CO 0.07 -0.79 0.29 -2.30 -0.81 0.00 0.00 175.30 171.75