#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 1.53 -0.27 0.99 2.96 -0.69 -4.84 118.68 118.36 2c3h s LEU 6 Ca 0.00 -0.65 -0.11 0.00 -0.22 0.00 0.00 54.13 53.14 2c3h s LEU 6 Cb 0.00 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.79 2c3h s LEU 6 CO 0.00 -0.20 0.20 -0.89 -1.32 0.00 0.00 176.35 174.14 2c3h s THR 7 N 1.67 5.31 -0.02 3.68 2.01 -1.26 -0.36 115.64 126.67 2c3h s THR 7 Ca 0.01 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.28 2c3h s THR 7 Cb -0.15 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 2c3h s THR 7 CO -0.07 0.27 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.27 2c3h s ILE 8 N 1.61 2.40 -0.04 1.82 -1.09 -0.31 -3.82 121.20 121.78 2c3h s ILE 8 Ca 0.08 -1.04 0.05 0.00 -2.23 0.00 0.00 60.65 57.51 2c3h s ILE 8 Cb -0.15 -1.89 -0.01 0.00 -1.58 0.00 0.00 42.46 38.83 2c3h s ILE 8 CO 0.09 0.54 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.84 2c3h s TYR 9 N -0.69 1.88 -0.08 3.97 2.02 0.24 -1.10 117.35 123.58 2c3h s TYR 9 Ca 0.11 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 2c3h s TYR 9 Cb -0.10 -1.24 0.02 0.00 -0.40 0.00 0.00 41.96 40.23 2c3h s TYR 9 CO 0.00 -0.14 -0.11 0.12 -1.57 0.00 0.00 175.55 173.85 2c3h s PHE 10 N -0.14 1.51 -0.66 2.71 5.36 0.20 -0.68 117.98 126.28 2c3h s PHE 10 Ca -0.01 -0.64 -0.25 0.00 -0.96 0.00 0.00 56.93 55.08 2c3h s PHE 10 Cb -0.11 -1.15 0.05 0.00 -0.34 0.00 0.00 43.02 41.47 2c3h s PHE 10 CO 0.02 -0.37 1.07 0.21 -1.46 0.00 0.00 175.22 174.69 2c3h s LYS 11 N 1.01 3.20 0.04 10.12 2.20 -0.41 -0.03 119.74 135.87 2c3h s LYS 11 Ca -0.08 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 2c3h s LYS 11 Cb -0.15 -4.17 -0.08 0.00 -1.51 0.00 0.00 37.83 31.92 2c3h s LYS 11 CO -0.01 -1.85 1.71 0.21 -0.36 0.00 0.00 175.35 175.05 2c3h s LYS 12 N 4.62 4.18 0.70 4.03 2.20 0.27 -4.85 119.74 130.88 2c3h s LYS 12 Ca 0.29 2.36 -0.17 0.00 -0.36 0.00 0.00 55.97 58.09 2c3h s LYS 12 Cb -0.13 -3.75 0.01 0.00 -1.51 0.00 0.00 37.83 32.45 2c3h s LYS 12 CO 0.14 -0.79 1.21 -2.30 -0.36 0.00 0.00 175.35 173.25 2c3h n PRO 13 N 6.18 0.79 0.22 4.03 -0.02 -1.26 -4.89 135.00 140.05 2c3h n PRO 13 Ca 0.17 0.33 0.05 0.00 -2.02 0.00 0.00 63.50 62.03 2c3h n PRO 13 Cb 0.41 -2.45 0.49 0.00 -0.02 0.00 0.00 33.50 31.93 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 0.06 0.00 1.23 2.55 5.19 -2.00 -2.56 116.42 120.90 2c3h h ASP 14 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2c3h h ASP 14 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 2c3h h ASP 14 CO 0.50 0.22 0.00 -1.54 -3.12 0.00 0.00 179.24 175.30 2c3h n SER 15 N -4.18 0.52 -4.87 6.45 3.41 -1.26 -4.84 113.62 108.84 2c3h n SER 15 Ca -0.02 0.56 -0.31 0.00 -0.26 0.00 0.00 58.87 58.84 2c3h n SER 15 Cb 0.28 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 2c3h n SER 15 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2c3h s TRP 16 N -3.08 3.49 0.61 7.33 0.52 -0.96 -5.10 118.94 121.75 2c3h s TRP 16 Ca 0.11 1.18 -0.10 0.00 0.02 0.00 0.00 56.10 57.30 2c3h s TRP 16 Cb 0.14 -2.57 0.14 0.00 -1.15 0.00 0.00 33.47 30.04 2c3h s TRP 16 CO 0.55 -0.27 0.78 0.41 0.02 0.00 0.00 176.95 178.43 2c3h n GLY 17 N -1.66 -1.56 3.64 0.98 0.00 -1.26 -4.95 105.19 100.38 2c3h n GLY 17 Ca 0.04 -1.66 -0.50 0.00 0.00 0.00 0.00 46.02 43.90 2c3h n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2c3h n THR 18 N -3.23 0.06 -2.36 2.61 -1.04 -1.26 -4.75 114.28 104.30 2c3h n THR 18 Ca 0.10 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.73 2c3h n THR 18 Cb 0.35 -1.22 -0.02 0.00 -1.82 0.00 0.00 70.33 67.62 2c3h n THR 18 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2c3h s PRO 19 N 1.08 3.98 0.22 -2.82 0.04 -1.26 -4.30 135.00 131.94 2c3h s PRO 19 Ca 0.83 1.71 0.09 0.00 0.04 0.00 0.00 61.00 63.68 2c3h s PRO 19 Cb -0.83 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2c3h s PRO 19 CO 0.44 -0.35 -0.03 -1.01 0.04 0.00 0.00 177.00 176.10 2c3h s HIS 20 N -1.54 2.72 -0.44 0.56 3.76 0.28 -0.81 115.29 119.82 2c3h s HIS 20 Ca 0.60 -0.20 -0.03 0.00 -0.15 0.00 0.00 55.06 55.28 2c3h s HIS 20 Cb -0.27 -1.27 0.12 0.00 1.11 0.00 0.00 32.58 32.27 2c3h s HIS 20 CO 0.34 0.56 0.24 -1.17 -0.85 0.00 0.00 174.74 173.86 2c3h s LEU 21 N -3.24 5.26 0.15 0.89 2.96 0.43 -1.98 118.68 123.16 2c3h s LEU 21 Ca 0.28 -2.16 -0.23 0.00 -0.22 0.00 0.00 54.13 51.80 2c3h s LEU 21 Cb -0.08 -1.84 -0.08 0.00 0.50 0.00 0.00 46.19 44.70 2c3h s LEU 21 CO 0.18 -0.52 0.72 -0.47 -1.32 0.00 0.00 176.35 174.94 2c3h s TYR 22 N 0.95 3.85 -0.01 5.38 5.04 -0.32 -3.81 117.35 128.44 2c3h s TYR 22 Ca 0.10 1.51 -0.23 0.00 -2.44 0.00 0.00 57.07 56.01 2c3h s TYR 22 Cb -0.23 -2.68 0.05 0.00 0.35 0.00 0.00 41.96 39.45 2c3h s TYR 22 CO -0.04 0.51 0.51 1.52 -1.34 0.00 0.00 175.55 176.71 2c3h s TYR 23 N -1.19 -0.43 0.12 4.97 1.13 -1.26 -0.91 117.35 119.79 2c3h s TYR 23 Ca 0.35 0.63 -0.01 0.00 -1.41 0.00 0.00 57.07 56.63 2c3h s TYR 23 Cb -0.21 0.29 0.00 0.00 -1.10 0.00 0.00 41.96 40.94 2c3h s TYR 23 CO 0.24 -0.55 0.18 2.48 -2.51 0.00 0.00 175.55 175.38 2c3h n TYR 24 N 0.85 -0.83 -3.66 -3.49 4.11 0.60 -4.54 117.16 110.20 2c3h n TYR 24 Ca -0.20 -0.81 -0.23 0.00 -0.00 0.00 0.00 57.90 56.66 2c3h n TYR 24 Cb 0.58 0.20 0.06 0.00 -0.00 0.00 0.00 39.34 40.18 2c3h n TYR 24 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2c3h n ASP 25 N -1.91 -3.98 -4.75 9.48 2.03 -1.26 -1.12 116.55 115.04 2c3h n ASP 25 Ca 0.00 -0.67 -0.40 0.00 0.52 0.00 0.00 54.79 54.23 2c3h n ASP 25 Cb 0.21 -4.57 -0.06 0.00 -0.72 0.00 0.00 41.12 35.98 2c3h n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2c3h s THR 26 N -3.40 4.09 -0.06 5.18 -4.23 -1.26 -4.10 115.64 111.86 2c3h s THR 26 Ca 0.36 2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 62.91 2c3h s THR 26 Cb -0.17 -4.31 0.03 0.00 1.34 0.00 0.00 72.50 69.39 2c3h s THR 26 CO 0.77 0.47 0.03 0.21 -0.54 0.00 0.00 174.62 175.56 2c3h s ASN 27 N -1.01 1.45 1.01 3.99 2.47 -0.39 -3.17 114.94 119.28 2c3h s ASN 27 Ca 0.42 -0.04 -0.12 0.00 0.42 0.00 0.00 52.86 53.54 2c3h s ASN 27 Cb -0.26 -0.32 0.20 0.00 -1.45 0.00 0.00 41.25 39.41 2c3h s ASN 27 CO 0.32 -0.22 1.08 -2.16 -3.72 0.00 0.00 177.10 172.41 2c3h s PRO 28 N 2.05 0.29 0.23 0.43 0.04 -1.26 -0.01 135.00 136.78 2c3h s PRO 28 Ca 0.05 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 2c3h s PRO 28 Cb -0.12 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 2c3h s PRO 28 CO -0.04 -2.97 1.29 0.21 0.04 0.00 0.00 177.00 175.52 2c3h s LYS 29 N -4.65 4.41 0.16 4.56 2.47 -1.19 -4.77 119.74 120.73 2c3h s LYS 29 Ca 0.66 2.06 -0.11 0.00 -1.56 0.00 0.00 55.97 57.02 2c3h s LYS 29 Cb -0.22 -3.17 0.00 0.00 -1.46 0.00 0.00 37.83 32.98 2c3h s LYS 29 CO 0.60 -0.19 0.33 0.54 0.16 0.00 0.00 175.35 176.79 2c3h s VAL 30 N -0.27 0.07 0.15 4.02 0.11 -1.26 -5.11 120.40 118.11 2c3h s VAL 30 Ca 0.54 -1.18 -0.34 0.00 -2.93 0.00 0.00 61.98 58.07 2c3h s VAL 30 Cb -0.37 -1.67 -0.16 0.00 -1.53 0.00 0.00 36.38 32.65 2c3h s VAL 30 CO 0.41 -0.31 1.28 0.47 -3.33 0.00 0.00 175.10 173.62 2c3h n ASP 31 N -0.22 1.72 -4.00 3.54 8.00 -1.26 -4.94 116.55 119.38 2c3h n ASP 31 Ca -0.10 1.13 -0.31 0.00 0.71 0.00 0.00 54.79 56.23 2c3h n ASP 31 Cb 0.63 -1.25 -0.15 0.00 -0.02 0.00 0.00 41.12 40.33 2c3h n ASP 31 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2c3h s GLU 32 N -0.01 1.56 0.86 -1.24 2.02 -1.26 -5.08 118.70 115.55 2c3h s GLU 32 Ca 0.77 -2.00 -0.12 0.00 0.02 0.00 0.00 54.97 53.63 2c3h s GLU 32 Cb -0.85 -3.21 0.09 0.00 0.10 0.00 0.00 34.13 30.26 2c3h s GLU 32 CO 0.49 -0.97 1.03 -2.30 0.02 0.00 0.00 175.26 173.53 2c3h n PRO 33 N 4.05 -0.09 -1.94 0.39 -0.02 -1.26 -4.99 135.00 131.14 2c3h n PRO 33 Ca 0.04 0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 2c3h n PRO 33 Cb 0.40 -2.30 0.10 0.00 -0.02 0.00 0.00 33.50 31.68 2c3h n PRO 33 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2c3h s THR 34 N -2.32 2.03 0.29 3.45 -4.23 -1.26 -4.75 115.64 108.85 2c3h s THR 34 Ca 0.68 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 61.19 2c3h s THR 34 Cb -0.26 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 70.86 2c3h s THR 34 CO 0.56 0.00 1.81 -0.25 -0.54 0.00 0.00 174.62 176.20 2c3h h TRP 35 N -1.07 1.10 0.01 3.99 2.91 -1.98 -0.74 115.95 120.17 2c3h h TRP 35 Ca -0.46 0.03 -0.24 0.00 1.13 0.00 0.00 58.89 59.36 2c3h h TRP 35 Cb 1.32 -0.34 0.01 0.00 -0.51 0.00 0.00 29.16 29.63 2c3h h TRP 35 CO 0.16 0.36 -0.98 0.77 -1.03 0.00 0.00 178.44 177.71 2c3h h SER 36 N 0.90 0.61 0.86 2.65 0.02 -2.01 -3.26 113.55 113.30 2c3h h SER 36 Ca 0.52 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2c3h h SER 36 Cb 0.63 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2c3h h SER 36 CO -0.31 1.30 0.00 -0.62 -1.14 0.00 0.00 176.83 176.06 2c3h n GLU 37 N -3.76 0.06 -1.62 3.45 1.02 -0.73 -4.93 120.64 114.13 2c3h n GLU 37 Ca -0.08 0.04 -0.50 0.00 -0.02 0.00 0.00 57.16 56.61 2c3h n GLU 37 Cb 0.86 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.72 2c3h n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c3h n ALA 38 N -1.47 -0.01 -1.74 0.62 0.00 -0.36 -4.76 120.51 112.78 2c3h n ALA 38 Ca 0.07 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 2c3h n ALA 38 Cb 0.30 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 2c3h n ALA 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2c3h n PRO 39 N 2.96 2.72 -1.72 0.00 -0.04 -1.25 -4.57 135.00 133.11 2c3h n PRO 39 Ca 0.18 0.97 -0.42 0.00 -0.04 0.00 0.00 63.50 64.19 2c3h n PRO 39 Cb 0.23 -2.76 -0.03 0.00 -0.04 0.00 0.00 33.50 30.90 2c3h n PRO 39 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2c3h n GLU 40 N 2.30 2.74 -2.72 0.54 2.13 -1.26 -0.43 120.64 123.93 2c3h n GLU 40 Ca 0.09 0.99 -0.40 0.00 0.66 0.00 0.00 57.16 58.50 2c3h n GLU 40 Cb 0.37 -2.82 -0.06 0.00 0.27 0.00 0.00 31.44 29.20 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 0.93 4.82 0.27 5.31 -1.94 0.01 -4.88 119.30 123.81 2c3h s MET 41 Ca 0.74 1.51 -0.28 0.00 -1.71 0.00 0.00 55.69 55.94 2c3h s MET 41 Cb -0.51 -3.23 -0.09 0.00 2.01 0.00 0.00 34.83 33.00 2c3h s MET 41 CO 0.35 0.47 0.95 -1.21 -0.01 0.00 0.00 175.02 175.56 2c3h s GLU 42 N -1.28 4.74 0.28 2.03 2.02 0.35 -4.72 118.70 122.13 2c3h s GLU 42 Ca 0.42 1.43 -0.29 0.00 0.02 0.00 0.00 54.97 56.55 2c3h s GLU 42 Cb -0.26 -3.09 -0.10 0.00 0.10 0.00 0.00 34.13 30.78 2c3h s GLU 42 CO 0.32 0.42 1.32 -1.58 0.02 0.00 0.00 175.26 175.76 2c3h s HIS 43 N -1.35 3.13 0.05 1.61 5.65 -1.26 0.48 115.29 123.59 2c3h s HIS 43 Ca 0.45 1.32 -0.02 0.00 0.25 0.00 0.00 55.06 57.05 2c3h s HIS 43 Cb -0.23 -3.66 -0.01 0.00 -1.18 0.00 0.00 32.58 27.50 2c3h s HIS 43 CO 0.29 -1.93 -0.04 0.98 -0.65 0.00 0.00 174.74 173.39 2c3h n TYR 44 N 1.53 0.00 -3.64 3.88 9.36 0.44 -4.83 117.16 123.90 2c3h n TYR 44 Ca 0.03 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.16 2c3h n TYR 44 Cb 0.42 -0.07 -0.07 0.00 -0.63 0.00 0.00 39.34 38.99 2c3h n TYR 44 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2c3h s GLU 45 N -2.11 0.63 5.94 2.98 2.12 -0.99 -5.00 118.70 122.27 2c3h s GLU 45 Ca -0.04 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.19 2c3h s GLU 45 Cb 0.01 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.62 2c3h s GLU 45 CO 0.05 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 2c3h n GLY 46 N 3.25 3.68 0.60 -1.50 0.00 -1.26 0.69 105.19 110.65 2c3h n GLY 46 Ca -0.16 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.07 2c3h n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c3h n ASP 47 N 6.23 1.79 -4.70 1.61 3.85 -1.26 -4.90 116.55 119.18 2c3h n ASP 47 Ca 0.00 -1.82 -0.41 0.00 -0.71 0.00 0.00 54.79 51.85 2c3h n ASP 47 Cb 0.00 -0.16 -0.04 0.00 -1.35 0.00 0.00 41.12 39.57 2c3h n ASP 47 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 2c3h s TRP 48 N -1.68 3.53 0.29 2.11 0.52 0.22 -0.57 118.94 123.35 2c3h s TRP 48 Ca 0.29 1.30 0.11 0.00 0.02 0.00 0.00 56.10 57.83 2c3h s TRP 48 Cb 0.16 -2.92 -0.05 0.00 -1.15 0.00 0.00 33.47 29.50 2c3h s TRP 48 CO 0.23 -0.05 -0.16 0.71 0.02 0.00 0.00 176.95 177.70 2c3h s TYR 49 N 1.34 2.35 0.04 -1.98 2.02 0.95 -0.42 117.35 121.66 2c3h s TYR 49 Ca 0.40 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.64 2c3h s TYR 49 Cb -0.18 -1.09 0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2c3h s TYR 49 CO 0.17 0.68 0.22 -0.08 -1.57 0.00 0.00 175.55 174.98 2c3h s THR 50 N -2.51 0.10 -0.15 -0.71 -1.32 0.18 0.59 115.64 111.82 2c3h s THR 50 Ca 0.31 -0.81 -0.24 0.00 -1.21 0.00 0.00 61.69 59.73 2c3h s THR 50 Cb -0.04 -0.88 0.06 0.00 -1.51 0.00 0.00 72.50 70.13 2c3h s THR 50 CO 0.16 -0.45 0.61 -2.28 -2.21 0.00 0.00 174.62 170.46 2c3h s HIS 51 N -2.46 -0.63 -0.15 9.09 2.46 -0.26 -0.50 115.29 122.85 2c3h s HIS 51 Ca -0.06 1.34 -0.01 0.00 0.47 0.00 0.00 55.06 56.80 2c3h s HIS 51 Cb -0.01 0.28 -0.01 0.00 -0.13 0.00 0.00 32.58 32.71 2c3h s HIS 51 CO -0.03 -0.44 -0.11 0.99 -2.47 0.00 0.00 174.74 172.68 2c3h s THR 52 N -0.40 3.14 -0.30 0.89 2.01 -1.26 -1.16 115.64 118.57 2c3h s THR 52 Ca -0.05 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.14 2c3h s THR 52 Cb -0.03 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 2c3h s THR 52 CO 0.05 0.50 0.57 -0.63 -0.69 0.00 0.00 174.62 174.42 2c3h s ILE 53 N 0.63 5.00 0.08 1.82 1.01 0.51 -4.90 121.20 125.34 2c3h s ILE 53 Ca -0.06 0.76 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 2c3h s ILE 53 Cb -0.15 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 2c3h s ILE 53 CO 0.03 -0.08 1.19 -1.61 0.00 0.00 0.00 174.94 174.46 2c3h s GLU 54 N 2.47 4.45 0.00 2.79 0.41 -1.26 -1.70 118.70 125.86 2c3h s GLU 54 Ca 0.23 1.77 0.00 0.00 -0.41 0.00 0.00 54.97 56.56 2c3h s GLU 54 Cb -0.15 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 2c3h s GLU 54 CO 0.11 -0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 2c3h n GLY 55 N 3.07 0.70 2.82 -1.39 0.00 -1.26 -4.98 105.19 104.15 2c3h n GLY 55 Ca 0.08 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 2c3h n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3h s VAL 56 N -2.33 -0.04 -0.14 1.61 1.01 -1.26 -4.31 120.40 114.95 2c3h s VAL 56 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2c3h s VAL 56 Cb 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 36.38 36.08 2c3h s VAL 56 CO 0.00 0.06 0.26 -0.62 0.00 0.00 0.00 175.10 174.80 2c3h n GLU 57 N 3.78 0.69 -4.08 2.72 1.02 0.98 -4.16 120.64 121.60 2c3h n GLU 57 Ca -0.22 0.20 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 2c3h n GLU 57 Cb 0.54 -1.66 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 2c3h n GLU 57 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2c3h s SER 58 N -6.43 0.22 -0.04 1.62 1.04 -0.52 -3.05 113.70 106.54 2c3h s SER 58 Ca -0.19 -1.08 -0.29 0.00 0.48 0.00 0.00 55.95 54.87 2c3h s SER 58 Cb 0.07 0.34 0.10 0.00 0.10 0.00 0.00 66.02 66.63 2c3h s SER 58 CO 0.76 -0.78 0.82 0.54 0.98 0.00 0.00 173.24 175.56 2c3h s VAL 59 N -4.01 0.00 -0.14 5.02 0.11 0.38 -1.27 120.40 120.49 2c3h s VAL 59 Ca 0.21 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.22 2c3h s VAL 59 Cb 0.06 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2c3h s VAL 59 CO 0.01 0.00 0.01 -0.13 -3.33 0.00 0.00 175.10 171.66 2c3h s ARG 60 N -2.06 3.52 0.05 1.54 0.52 -0.28 -1.22 118.95 121.02 2c3h s ARG 60 Ca -0.02 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2c3h s ARG 60 Cb -0.01 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 2c3h s ARG 60 CO -0.01 0.44 -0.08 -0.48 0.02 0.00 0.00 175.30 175.18 2c3h s LEU 61 N -0.13 2.30 0.03 2.53 0.05 -0.47 -0.29 118.68 122.70 2c3h s LEU 61 Ca 0.05 -0.63 0.02 0.00 0.05 0.00 0.00 54.13 53.63 2c3h s LEU 61 Cb -0.13 -0.19 -0.02 0.00 -2.05 0.00 0.00 46.19 43.80 2c3h s LEU 61 CO 0.02 -0.23 -0.08 -0.76 -0.55 0.00 0.00 176.35 174.75 2c3h s LEU 62 N -1.82 2.20 -0.03 1.48 1.02 -0.09 -1.90 118.68 119.54 2c3h s LEU 62 Ca -0.06 -0.45 -0.15 0.00 0.02 0.00 0.00 54.13 53.50 2c3h s LEU 62 Cb -0.08 -0.23 -0.05 0.00 0.02 0.00 0.00 46.19 45.85 2c3h s LEU 62 CO -0.00 -0.13 0.39 -0.36 0.02 0.00 0.00 176.35 176.28 2c3h s PHE 63 N -1.07 3.67 0.03 0.29 0.08 0.12 -1.17 117.98 119.93 2c3h s PHE 63 Ca -0.06 0.93 -0.01 0.00 0.12 0.00 0.00 56.93 57.90 2c3h s PHE 63 Cb -0.08 -2.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 2c3h s PHE 63 CO 0.00 0.55 -0.01 -1.59 -0.10 0.00 0.00 175.22 174.08 2c3h s LYS 64 N -0.73 0.45 0.34 0.44 -2.85 -0.84 -0.28 119.74 116.28 2c3h s LYS 64 Ca 0.23 -0.82 0.06 0.00 -1.00 0.00 0.00 55.97 54.43 2c3h s LYS 64 Cb -0.16 0.16 0.06 0.00 -2.06 0.00 0.00 37.83 35.83 2c3h s LYS 64 CO 0.12 -0.09 0.47 -0.40 0.10 0.00 0.00 175.35 175.55 2c3h n ASP 65 N 0.99 1.28 0.00 0.03 5.68 -0.65 0.10 116.55 123.99 2c3h n ASP 65 Ca -0.20 -1.92 0.13 0.00 -0.50 0.00 0.00 54.79 52.30 2c3h n ASP 65 Cb 0.57 -0.24 0.66 0.00 -1.14 0.00 0.00 41.12 40.97 2c3h n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2c3h n ARG 66 N -1.73 0.35 0.00 0.11 1.74 -1.26 -4.68 116.66 111.18 2c3h n ARG 66 Ca 0.09 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2c3h n ARG 66 Cb 0.36 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2c3h n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c3h n GLY 67 N 1.00 0.63 1.25 -0.13 0.00 -1.26 -5.00 105.19 101.67 2c3h n GLY 67 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 0.72 -3.40 2.61 -2.24 -1.26 -4.94 114.28 105.76 2c3h n THR 68 Ca 0.00 -0.86 -0.37 0.00 -2.27 0.00 0.00 64.05 60.55 2c3h n THR 68 Cb 0.00 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.28 6.64 0.08 3.42 0.02 -1.26 -5.02 114.94 117.54 2c3h s ASN 69 Ca 0.43 0.76 -0.20 0.00 -1.02 0.00 0.00 52.86 52.83 2c3h s ASN 69 Cb 0.24 -2.25 0.05 0.00 0.02 0.00 0.00 41.25 39.30 2c3h s ASN 69 CO 0.33 0.08 0.48 0.00 0.02 0.00 0.00 177.10 178.00 2c3h s GLN 70 N 0.31 1.05 -0.16 -0.60 -2.07 -1.26 -1.63 119.66 115.30 2c3h s GLN 70 Ca 0.23 -0.41 -0.05 0.00 -1.82 0.00 0.00 55.36 53.31 2c3h s GLN 70 Cb -0.15 0.47 0.08 0.00 -1.09 0.00 0.00 33.01 32.32 2c3h s GLN 70 CO 0.09 -0.39 0.31 -0.46 -1.32 0.00 0.00 175.29 173.52 2c3h s TRP 71 N -2.95 -0.55 1.25 9.60 -0.11 0.61 -4.18 118.94 122.61 2c3h s TRP 71 Ca -0.02 1.12 -0.21 0.00 1.22 0.00 0.00 56.10 58.20 2c3h s TRP 71 Cb -0.00 0.06 0.31 0.00 -1.50 0.00 0.00 33.47 32.34 2c3h s TRP 71 CO -0.06 -0.42 1.04 -0.35 -4.62 0.00 0.00 176.95 172.54 2c3h n PRO 72 N 5.36 -3.40 -0.69 5.86 -0.04 -1.26 0.13 135.00 140.96 2c3h n PRO 72 Ca -0.07 -1.67 -0.31 0.00 -0.04 0.00 0.00 63.50 61.42 2c3h n PRO 72 Cb 0.50 -1.65 0.18 0.00 -0.04 0.00 0.00 33.50 32.48 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 -4.21 1.67 0.04 0.55 0.00 -1.26 -4.80 107.32 99.30 2c3h s GLY 73 Ca 0.69 0.47 -0.38 0.00 0.00 0.00 0.00 44.72 45.50 2c3h s GLY 73 CO 0.54 0.93 1.17 -1.05 0.00 0.00 0.00 173.10 174.69 2c3h n PRO 74 N -4.32 0.48 0.00 2.90 -0.02 -1.26 -1.07 135.00 131.71 2c3h n PRO 74 Ca 0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2c3h n PRO 74 Cb 0.52 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.92 1.93 3.76 -1.23 0.00 -1.26 -4.98 105.19 105.33 2c3h n GLY 75 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 4.50 0.60 1.61 2.02 -0.23 -4.96 118.70 122.24 2c3h s GLU 76 Ca 0.00 1.98 -0.19 0.00 0.02 0.00 0.00 54.97 56.79 2c3h s GLU 76 Cb 0.00 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 2c3h s GLU 76 CO 0.00 0.01 1.04 -0.35 0.02 0.00 0.00 175.26 175.97 2c3h n PRO 77 N 1.25 0.99 -1.93 0.39 -0.04 -1.26 -4.83 135.00 129.57 2c3h n PRO 77 Ca 0.00 0.38 -0.33 0.00 -0.04 0.00 0.00 63.50 63.52 2c3h n PRO 77 Cb 0.43 -2.24 0.02 0.00 -0.04 0.00 0.00 33.50 31.68 2c3h n PRO 77 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c3h s GLY 78 N -1.23 2.08 0.13 0.55 0.00 -1.26 -4.81 107.32 102.78 2c3h s GLY 78 Ca 0.76 0.39 -0.35 0.00 0.00 0.00 0.00 44.72 45.53 2c3h s GLY 78 CO 0.46 0.72 1.36 0.69 0.00 0.00 0.00 173.10 176.33 2c3h n PHE 79 N -2.23 1.67 -2.93 1.90 3.72 -0.80 -4.56 117.46 114.24 2c3h n PHE 79 Ca 0.09 0.56 -0.40 0.00 -0.05 0.00 0.00 57.45 57.64 2c3h n PHE 79 Cb 0.53 -2.37 -0.04 0.00 -0.94 0.00 0.00 39.48 36.65 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 0.40 3.64 -0.18 1.38 5.36 -1.26 -1.37 117.98 125.94 2c3h s PHE 80 Ca 0.80 1.44 -0.15 0.00 -0.96 0.00 0.00 56.93 58.06 2c3h s PHE 80 Cb -0.86 -2.90 0.05 0.00 -0.34 0.00 0.00 43.02 38.97 2c3h s PHE 80 CO 0.46 0.10 0.47 1.03 -1.46 0.00 0.00 175.22 175.82 2c3h s ARG 81 N 0.67 0.53 0.00 10.12 1.81 -0.36 -4.97 118.95 126.75 2c3h s ARG 81 Ca 0.42 0.72 0.00 0.00 -1.72 0.00 0.00 55.73 55.15 2c3h s ARG 81 Cb -0.19 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.51 2c3h s ARG 81 CO 0.22 -0.09 0.00 -3.47 -0.68 0.00 0.00 175.30 171.28 2c3h n ASP 82 N 3.20 0.00 -3.98 0.23 2.03 -1.17 0.14 116.55 117.00 2c3h n ASP 82 Ca -0.16 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.07 2c3h n ASP 82 Cb 0.57 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.88 2c3h n ASP 82 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2c3h s GLN 83 N 0.00 0.77 0.62 -0.67 -0.21 -1.26 -4.73 119.66 114.18 2c3h s GLN 83 Ca 0.00 -1.11 -0.18 0.00 0.02 0.00 0.00 55.36 54.09 2c3h s GLN 83 Cb 0.00 0.28 -0.03 0.00 1.00 0.00 0.00 33.01 34.26 2c3h s GLN 83 CO 0.00 -0.21 1.11 -0.25 -2.12 0.00 0.00 175.29 173.82 2c3h n ASP 84 N 0.00 1.34 0.00 5.90 10.43 -1.26 -4.82 116.55 128.14 2c3h n ASP 84 Ca -0.14 0.82 0.00 0.00 2.57 0.00 0.00 54.79 58.04 2c3h n ASP 84 Cb 0.62 -1.46 0.00 0.00 1.84 0.00 0.00 41.12 42.12 2c3h n ASP 84 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c3h n GLY 85 N 1.13 0.00 3.45 0.44 0.00 -1.25 -4.68 105.19 104.28 2c3h n GLY 85 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 3.06 -0.12 1.61 0.52 0.30 0.80 118.94 125.11 2c3h s TRP 86 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.68 2c3h s TRP 86 Cb 0.00 -2.13 0.02 0.00 -1.15 0.00 0.00 33.47 30.22 2c3h s TRP 86 CO 0.00 -0.26 -0.10 0.12 0.02 0.00 0.00 176.95 176.72 2c3h s PHE 87 N 1.15 1.74 -0.15 -1.98 5.36 0.14 -0.05 117.98 124.19 2c3h s PHE 87 Ca 0.03 -0.90 0.22 0.00 -0.96 0.00 0.00 56.93 55.32 2c3h s PHE 87 Cb -0.14 -1.36 0.47 0.00 -0.34 0.00 0.00 43.02 41.65 2c3h s PHE 87 CO 0.02 -0.55 1.15 -0.40 -1.46 0.00 0.00 175.22 173.98 2c3h n ASP 88 N 4.79 1.61 0.00 6.13 3.85 -1.26 -1.29 116.55 130.38 2c3h n ASP 88 Ca -0.15 -2.28 0.00 0.00 -0.71 0.00 0.00 54.79 51.65 2c3h n ASP 88 Cb 0.50 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 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 -0.20 1.94 3.27 6.12 0.00 -1.26 -5.02 105.19 110.05 2c3h n GLY 89 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.01 1.19 0.06 1.61 0.41 -1.26 -5.16 118.70 115.54 2c3h s GLU 90 Ca 0.00 -1.58 -0.12 0.00 -0.41 0.00 0.00 54.97 52.86 2c3h s GLU 90 Cb 0.00 -0.44 -0.06 0.00 -1.78 0.00 0.00 34.13 31.85 2c3h s GLU 90 CO 0.00 -0.09 0.43 -1.58 -0.49 0.00 0.00 175.26 173.52 2c3h s TRP 91 N -3.53 3.64 -0.04 1.61 0.52 -1.26 -4.22 118.94 115.66 2c3h s TRP 91 Ca 0.25 0.91 -0.03 0.00 0.02 0.00 0.00 56.10 57.25 2c3h s TRP 91 Cb 0.05 -2.24 0.02 0.00 -1.15 0.00 0.00 33.47 30.15 2c3h s TRP 91 CO 0.05 0.55 0.10 -1.01 0.02 0.00 0.00 176.95 176.67 2c3h s HIS 92 N -1.29 -0.11 0.24 -1.98 3.76 0.93 -5.00 115.29 111.85 2c3h s HIS 92 Ca 0.30 0.29 0.07 0.00 -0.15 0.00 0.00 55.06 55.56 2c3h s HIS 92 Cb -0.15 0.00 0.26 0.00 1.11 0.00 0.00 32.58 33.80 2c3h s HIS 92 CO 0.16 -0.07 1.56 -0.39 -0.85 0.00 0.00 174.74 175.15 2c3h h VAL 93 N 5.25 1.42 -2.68 -0.90 -1.51 -1.85 0.88 116.25 116.87 2c3h h VAL 93 Ca -0.29 -2.12 -0.59 0.00 -1.23 0.00 0.00 66.70 62.47 2c3h h VAL 93 Cb 1.19 2.12 -0.11 0.00 -2.13 0.00 0.00 31.29 32.35 2c3h h VAL 93 CO 0.45 0.62 -0.67 -1.81 -1.23 0.00 0.00 177.57 174.92 2c3h s ASP 94 N -6.88 4.54 0.06 4.19 1.01 -1.26 -4.43 116.67 113.91 2c3h s ASP 94 Ca -0.03 -0.53 -0.37 0.00 0.71 0.00 0.00 52.55 52.33 2c3h s ASP 94 Cb 0.12 -0.87 -0.16 0.00 1.01 0.00 0.00 42.92 43.02 2c3h s ASP 94 CO 0.79 0.06 1.42 -1.14 0.21 0.00 0.00 175.17 176.51 2c3h n ARG 95 N -0.34 1.30 0.00 8.23 3.00 -1.26 -4.85 116.66 122.74 2c3h n ARG 95 Ca -0.09 0.47 0.03 0.00 -0.00 0.00 0.00 57.85 58.26 2c3h n ARG 95 Cb 0.57 -2.14 0.16 0.00 0.00 0.00 0.00 32.46 31.05 2c3h n ARG 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33