#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 2.15 -0.20 0.99 1.02 0.23 -4.87 118.68 117.99 2c3h s LEU 6 Ca 0.00 -0.52 -0.03 0.00 0.02 0.00 0.00 54.13 53.61 2c3h s LEU 6 Cb 0.00 -1.42 -0.01 0.00 0.02 0.00 0.00 46.19 44.79 2c3h s LEU 6 CO 0.00 0.20 -0.07 -0.89 0.02 0.00 0.00 176.35 175.61 2c3h s THR 7 N 0.13 3.24 -0.07 5.49 2.01 -1.26 0.69 115.64 125.87 2c3h s THR 7 Ca -0.12 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 61.39 2c3h s THR 7 Cb -0.16 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 2c3h s THR 7 CO 0.07 0.45 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.58 2c3h s ILE 8 N 1.25 1.93 -0.11 1.82 1.09 0.56 -3.90 121.20 123.84 2c3h s ILE 8 Ca 0.03 -0.98 0.02 0.00 -1.10 0.00 0.00 60.65 58.62 2c3h s ILE 8 Cb -0.14 -1.65 -0.01 0.00 -1.06 0.00 0.00 42.46 39.60 2c3h s ILE 8 CO -0.03 0.54 -0.19 -0.31 -0.10 0.00 0.00 174.94 174.85 2c3h s TYR 9 N 0.03 2.67 -0.06 3.97 2.02 0.81 -1.02 117.35 125.77 2c3h s TYR 9 Ca -0.08 -0.88 0.03 0.00 -0.37 0.00 0.00 57.07 55.77 2c3h s TYR 9 Cb -0.15 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 2c3h s TYR 9 CO 0.05 -0.34 -0.15 0.12 -1.57 0.00 0.00 175.55 173.66 2c3h s PHE 10 N 0.36 1.65 -0.41 2.71 5.36 0.37 0.72 117.98 128.73 2c3h s PHE 10 Ca -0.15 -0.57 -0.22 0.00 -0.96 0.00 0.00 56.93 55.02 2c3h s PHE 10 Cb -0.17 -1.16 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 2c3h s PHE 10 CO 0.07 -0.25 0.75 0.21 -1.46 0.00 0.00 175.22 174.53 2c3h s LYS 11 N 0.42 3.52 -0.18 10.12 2.20 0.05 -0.44 119.74 135.43 2c3h s LYS 11 Ca -0.12 -0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.20 2c3h s LYS 11 Cb -0.14 -3.89 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 2c3h s LYS 11 CO 0.04 -0.98 1.38 0.21 -0.36 0.00 0.00 175.35 175.64 2c3h s LYS 12 N 3.10 4.10 0.86 4.03 2.20 -0.48 -4.86 119.74 128.70 2c3h s LYS 12 Ca 0.29 1.67 -0.11 0.00 -0.36 0.00 0.00 55.97 57.46 2c3h s LYS 12 Cb -0.13 -3.86 0.12 0.00 -1.51 0.00 0.00 37.83 32.45 2c3h s LYS 12 CO 0.20 -0.89 1.15 -2.14 -0.36 0.00 0.00 175.35 173.31 2c3h s PRO 13 N 3.88 1.36 0.41 4.03 0.02 -1.26 -4.90 135.00 138.55 2c3h s PRO 13 Ca 0.60 1.55 0.16 0.00 0.02 0.00 0.00 61.00 63.34 2c3h s PRO 13 Cb -0.23 -1.77 0.91 0.00 0.02 0.00 0.00 34.50 33.43 2c3h s PRO 13 CO 0.21 -2.38 1.90 -0.44 -0.33 0.00 0.00 177.00 175.95 2c3h h ASP 14 N -1.49 0.00 0.42 2.53 3.32 -2.00 -2.67 116.42 116.52 2c3h h ASP 14 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2c3h h ASP 14 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2c3h h ASP 14 CO 0.44 0.29 0.00 -1.54 -1.72 0.00 0.00 179.24 176.71 2c3h n SER 15 N -4.01 0.00 -4.87 6.45 3.41 -1.26 -4.85 113.62 108.49 2c3h n SER 15 Ca -0.02 -0.01 -0.32 0.00 -0.26 0.00 0.00 58.87 58.26 2c3h n SER 15 Cb 0.35 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.58 3.46 1.11 7.33 0.52 -1.01 -5.05 118.94 122.73 2c3h s TRP 16 Ca 0.20 0.28 -0.16 0.00 0.02 0.00 0.00 56.10 56.44 2c3h s TRP 16 Cb 0.15 -1.78 0.24 0.00 -1.15 0.00 0.00 33.47 30.93 2c3h s TRP 16 CO 0.33 0.61 1.11 0.20 0.02 0.00 0.00 176.95 179.22 2c3h s GLY 17 N -2.06 1.58 -0.04 0.98 0.00 -1.26 -4.90 107.32 101.62 2c3h s GLY 17 Ca 0.28 -0.73 -0.38 0.00 0.00 0.00 0.00 44.72 43.90 2c3h s GLY 17 CO 0.20 0.04 1.50 2.41 0.00 0.00 0.00 173.10 177.25 2c3h n THR 18 N -4.49 0.12 -2.42 0.90 -1.04 -1.26 -4.74 114.28 101.36 2c3h n THR 18 Ca 0.10 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.05 61.70 2c3h n THR 18 Cb 0.59 -1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.05 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 1.63 4.26 0.07 -2.82 0.04 -1.26 -4.54 135.00 132.38 2c3h s PRO 19 Ca 0.89 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.74 2c3h s PRO 19 Cb -0.98 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2c3h s PRO 19 CO 0.53 -0.11 -0.16 -1.01 0.04 0.00 0.00 177.00 176.29 2c3h s HIS 20 N -1.41 2.60 -0.30 0.56 3.76 0.16 -0.55 115.29 120.11 2c3h s HIS 20 Ca 0.53 -0.23 -0.09 0.00 -0.15 0.00 0.00 55.06 55.12 2c3h s HIS 20 Cb -0.29 -1.43 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 2c3h s HIS 20 CO 0.36 0.33 0.14 -1.17 -0.85 0.00 0.00 174.74 173.55 2c3h s LEU 21 N -1.77 3.98 -0.11 0.89 2.96 -1.21 -2.10 118.68 121.32 2c3h s LEU 21 Ca 0.17 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 2c3h s LEU 21 Cb -0.11 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2c3h s LEU 21 CO 0.08 -0.15 0.10 -0.47 -1.32 0.00 0.00 176.35 174.59 2c3h s TYR 22 N 1.63 3.46 0.01 5.38 5.04 0.95 -4.61 117.35 129.21 2c3h s TYR 22 Ca 0.05 0.42 -0.14 0.00 -2.44 0.00 0.00 57.07 54.96 2c3h s TYR 22 Cb -0.17 -1.90 0.02 0.00 0.35 0.00 0.00 41.96 40.26 2c3h s TYR 22 CO 0.06 0.64 0.30 1.52 -1.34 0.00 0.00 175.55 176.73 2c3h s TYR 23 N -0.93 -0.13 0.13 4.97 1.13 -1.26 -0.42 117.35 120.84 2c3h s TYR 23 Ca 0.14 0.09 -0.02 0.00 -1.41 0.00 0.00 57.07 55.87 2c3h s TYR 23 Cb -0.12 0.08 0.01 0.00 -1.10 0.00 0.00 41.96 40.83 2c3h s TYR 23 CO 0.03 -0.44 0.20 2.48 -2.51 0.00 0.00 175.55 175.32 2c3h n TYR 24 N 0.93 -0.99 -3.78 -3.49 4.11 -0.30 -4.59 117.16 109.05 2c3h n TYR 24 Ca -0.20 -0.79 -0.26 0.00 -0.00 0.00 0.00 57.90 56.64 2c3h n TYR 24 Cb 0.58 0.23 0.04 0.00 -0.00 0.00 0.00 39.34 40.19 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 -1.74 -4.41 -4.78 9.48 2.03 -1.26 -0.70 116.55 115.17 2c3h n ASP 25 Ca -0.01 -0.72 -0.32 0.00 0.52 0.00 0.00 54.79 54.26 2c3h n ASP 25 Cb 0.21 -4.26 0.05 0.00 -0.72 0.00 0.00 41.12 36.40 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 -3.37 3.46 -0.30 5.18 -4.23 -1.26 -4.01 115.64 111.11 2c3h s THR 26 Ca 0.49 0.62 -0.09 0.00 -1.18 0.00 0.00 61.69 61.53 2c3h s THR 26 Cb -0.24 -3.15 0.17 0.00 1.34 0.00 0.00 72.50 70.62 2c3h s THR 26 CO 0.80 -0.48 0.81 0.21 -0.54 0.00 0.00 174.62 175.42 2c3h s ASN 27 N -2.91 -0.92 0.79 3.99 3.84 -0.88 -3.87 114.94 114.97 2c3h s ASN 27 Ca 0.64 0.89 -0.13 0.00 0.21 0.00 0.00 52.86 54.46 2c3h s ASN 27 Cb -0.18 1.90 0.07 0.00 -0.55 0.00 0.00 41.25 42.49 2c3h s ASN 27 CO 0.45 -0.17 1.20 -2.16 -2.79 0.00 0.00 177.10 173.63 2c3h s PRO 28 N 2.78 1.75 0.12 0.43 0.04 -1.26 -0.15 135.00 138.70 2c3h s PRO 28 Ca 0.04 1.73 -0.32 0.00 0.04 0.00 0.00 61.00 62.50 2c3h s PRO 28 Cb -0.11 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 2c3h s PRO 28 CO -0.18 -2.12 1.82 1.17 0.04 0.00 0.00 177.00 177.73 2c3h n LYS 29 N -3.19 2.72 -4.25 4.56 3.00 -1.25 -4.71 118.16 115.04 2c3h n LYS 29 Ca 0.13 0.99 -0.14 0.00 -0.00 0.00 0.00 58.31 59.29 2c3h n LYS 29 Cb 0.51 -2.87 -0.10 0.00 0.00 0.00 0.00 35.03 32.56 2c3h n LYS 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2c3h s VAL 30 N 2.64 0.84 0.25 3.15 0.11 -1.26 -5.09 120.40 121.04 2c3h s VAL 30 Ca 0.82 -2.00 -0.31 0.00 -2.93 0.00 0.00 61.98 57.56 2c3h s VAL 30 Cb -0.51 -2.03 -0.12 0.00 -1.53 0.00 0.00 36.38 32.20 2c3h s VAL 30 CO 0.38 -0.57 1.62 -0.67 -3.33 0.00 0.00 175.10 172.53 2c3h n ASP 31 N -0.23 3.77 -4.09 3.54 2.03 -1.26 -4.89 116.55 115.42 2c3h n ASP 31 Ca -0.08 1.12 -0.34 0.00 0.52 0.00 0.00 54.79 56.01 2c3h n ASP 31 Cb 0.62 -1.56 -0.13 0.00 -0.72 0.00 0.00 41.12 39.33 2c3h n ASP 31 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2c3h s GLU 32 N 0.11 1.91 0.48 -0.67 2.02 -1.26 -5.08 118.70 116.20 2c3h s GLU 32 Ca 0.69 -1.73 -0.24 0.00 0.02 0.00 0.00 54.97 53.70 2c3h s GLU 32 Cb -0.52 -3.37 -0.07 0.00 0.10 0.00 0.00 34.13 30.26 2c3h s GLU 32 CO 0.43 -0.94 1.42 -2.14 0.02 0.00 0.00 175.26 174.05 2c3h s PRO 33 N 1.08 3.54 0.84 0.39 0.02 -1.26 -5.01 135.00 134.59 2c3h s PRO 33 Ca 0.06 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.37 2c3h s PRO 33 Cb -0.21 -2.56 0.10 0.00 0.02 0.00 0.00 34.50 31.85 2c3h s PRO 33 CO -0.05 -0.93 1.09 0.95 -0.33 0.00 0.00 177.00 177.73 2c3h s THR 34 N -1.22 2.92 0.17 0.99 -4.23 -1.26 -4.72 115.64 108.29 2c3h s THR 34 Ca 0.64 0.30 -0.15 0.00 -1.18 0.00 0.00 61.69 61.30 2c3h s THR 34 Cb -0.44 -2.90 0.09 0.00 1.34 0.00 0.00 72.50 70.60 2c3h s THR 34 CO 0.55 -0.39 1.70 -0.25 -0.54 0.00 0.00 174.62 175.69 2c3h h TRP 35 N -1.30 0.03 0.00 3.99 2.91 -1.98 0.03 115.95 119.63 2c3h h TRP 35 Ca -0.48 0.03 -0.07 0.00 1.13 0.00 0.00 58.89 59.51 2c3h h TRP 35 Cb 1.27 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.97 2c3h h TRP 35 CO 0.46 -0.06 -0.32 0.66 -1.03 0.00 0.00 178.44 178.15 2c3h h SER 36 N 0.14 0.00 -0.38 2.65 4.64 -2.02 -3.13 113.55 115.45 2c3h h SER 36 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2c3h h SER 36 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2c3h h SER 36 CO -0.33 0.32 0.00 -1.84 -0.87 0.00 0.00 176.83 174.10 2c3h n GLU 37 N -3.55 2.39 -1.67 4.77 0.28 -0.18 -4.90 120.64 117.78 2c3h n GLU 37 Ca -0.00 -2.11 -0.44 0.00 -0.16 0.00 0.00 57.16 54.45 2c3h n GLU 37 Cb 0.46 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.80 2c3h n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2c3h n ALA 38 N 1.30 1.51 -1.49 -1.84 0.00 -0.19 -4.81 120.51 115.00 2c3h n ALA 38 Ca 0.19 0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 2c3h n ALA 38 Cb 0.56 -2.61 0.06 0.00 0.00 0.00 0.00 19.45 17.46 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 3.94 2.73 0.43 0.00 0.04 -1.26 -4.80 135.00 136.08 2c3h s PRO 39 Ca 0.88 1.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 2c3h s PRO 39 Cb -0.52 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 2c3h s PRO 39 CO 0.44 -1.26 1.42 -1.21 0.04 0.00 0.00 177.00 176.42 2c3h s GLU 40 N -5.01 3.78 0.50 4.56 2.02 -1.26 -3.28 118.70 120.01 2c3h s GLU 40 Ca 0.59 2.41 -0.21 0.00 0.02 0.00 0.00 54.97 57.78 2c3h s GLU 40 Cb -0.15 -2.71 -0.07 0.00 0.10 0.00 0.00 34.13 31.30 2c3h s GLU 40 CO 0.55 -0.74 1.11 -1.64 0.02 0.00 0.00 175.26 174.57 2c3h s MET 41 N -2.37 3.59 0.24 1.61 -1.94 0.28 -4.86 119.30 115.85 2c3h s MET 41 Ca 0.59 1.59 -0.30 0.00 -1.71 0.00 0.00 55.69 55.87 2c3h s MET 41 Cb -0.43 -2.15 -0.09 0.00 2.01 0.00 0.00 34.83 34.17 2c3h s MET 41 CO 0.56 -0.65 1.12 -1.21 -0.01 0.00 0.00 175.02 174.83 2c3h s GLU 42 N -3.09 4.60 0.26 2.03 2.02 0.12 -4.73 118.70 119.91 2c3h s GLU 42 Ca 0.69 1.80 -0.30 0.00 0.02 0.00 0.00 54.97 57.18 2c3h s GLU 42 Cb -0.23 -3.22 -0.10 0.00 0.10 0.00 0.00 34.13 30.68 2c3h s GLU 42 CO 0.27 0.13 1.50 -1.58 0.02 0.00 0.00 175.26 175.59 2c3h s HIS 43 N -0.76 2.94 -0.01 1.61 5.65 -1.26 0.87 115.29 124.32 2c3h s HIS 43 Ca 0.47 0.92 -0.06 0.00 0.25 0.00 0.00 55.06 56.64 2c3h s HIS 43 Cb -0.32 -3.91 -0.02 0.00 -1.18 0.00 0.00 32.58 27.16 2c3h s HIS 43 CO 0.39 -3.01 -0.12 0.98 -0.65 0.00 0.00 174.74 172.34 2c3h n TYR 44 N 2.38 0.00 -3.64 3.88 9.36 0.20 -4.79 117.16 124.54 2c3h n TYR 44 Ca 0.08 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.26 2c3h n TYR 44 Cb 0.39 -0.16 -0.07 0.00 -0.63 0.00 0.00 39.34 38.87 2c3h n TYR 44 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 2c3h s GLU 45 N -2.07 0.27 7.01 2.98 4.04 -0.57 -5.01 118.70 125.35 2c3h s GLU 45 Ca -0.10 0.40 0.00 0.00 0.04 0.00 0.00 54.97 55.32 2c3h s GLU 45 Cb 0.01 0.09 0.00 0.00 0.02 0.00 0.00 34.13 34.26 2c3h s GLU 45 CO 0.14 -0.05 0.00 0.41 -1.84 0.00 0.00 175.26 173.93 2c3h n GLY 46 N 2.77 3.70 0.11 -3.83 0.00 -1.26 -0.87 105.19 105.81 2c3h n GLY 46 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 5.72 0.71 -4.69 1.61 8.00 -1.26 -4.86 116.55 121.78 2c3h n ASP 47 Ca 0.00 0.60 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 2c3h n ASP 47 Cb 0.00 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.29 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 -3.17 3.44 0.30 1.24 0.52 -0.05 -1.38 118.94 119.84 2c3h s TRP 48 Ca 0.09 1.49 0.10 0.00 0.02 0.00 0.00 56.10 57.80 2c3h s TRP 48 Cb 0.12 -3.25 -0.05 0.00 -1.15 0.00 0.00 33.47 29.13 2c3h s TRP 48 CO 0.52 -0.54 -0.04 0.71 0.02 0.00 0.00 176.95 177.62 2c3h s TYR 49 N 1.96 2.55 0.01 -1.98 2.02 0.42 -0.63 117.35 121.70 2c3h s TYR 49 Ca 0.51 -0.32 -0.03 0.00 -0.37 0.00 0.00 57.07 56.86 2c3h s TYR 49 Cb -0.21 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2c3h s TYR 49 CO 0.20 0.59 0.04 -0.08 -1.57 0.00 0.00 175.55 174.73 2c3h s THR 50 N -2.44 0.09 -0.16 -0.71 -1.32 0.25 -0.48 115.64 110.88 2c3h s THR 50 Ca 0.32 -0.78 -0.21 0.00 -1.21 0.00 0.00 61.69 59.81 2c3h s THR 50 Cb -0.04 -0.32 0.05 0.00 -1.51 0.00 0.00 72.50 70.69 2c3h s THR 50 CO 0.19 -0.43 0.56 -2.28 -2.21 0.00 0.00 174.62 170.45 2c3h s HIS 51 N -1.35 -0.58 -0.24 9.09 5.04 -0.19 0.12 115.29 127.18 2c3h s HIS 51 Ca -0.15 1.31 -0.05 0.00 -1.54 0.00 0.00 55.06 54.63 2c3h s HIS 51 Cb -0.09 0.24 -0.01 0.00 0.04 0.00 0.00 32.58 32.76 2c3h s HIS 51 CO 0.00 -0.37 0.01 0.99 -2.34 0.00 0.00 174.74 173.03 2c3h s THR 52 N -0.16 3.76 -0.26 0.89 2.01 -1.26 -0.32 115.64 120.30 2c3h s THR 52 Ca -0.04 -0.38 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 2c3h s THR 52 Cb -0.03 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 2c3h s THR 52 CO 0.03 0.37 0.51 -0.63 -0.69 0.00 0.00 174.62 174.21 2c3h s ILE 53 N 1.53 5.07 0.38 1.82 1.01 0.22 -4.93 121.20 126.30 2c3h s ILE 53 Ca 0.06 0.88 -0.24 0.00 0.00 0.00 0.00 60.65 61.35 2c3h s ILE 53 Cb -0.15 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 2c3h s ILE 53 CO -0.00 0.09 0.98 -1.61 0.00 0.00 0.00 174.94 174.40 2c3h s GLU 54 N 2.28 4.34 -0.94 2.79 0.41 -1.26 -0.60 118.70 125.71 2c3h s GLU 54 Ca 0.21 1.33 -0.06 0.00 -0.41 0.00 0.00 54.97 56.04 2c3h s GLU 54 Cb -0.16 -2.54 0.01 0.00 -1.78 0.00 0.00 34.13 29.66 2c3h s GLU 54 CO 0.09 0.05 0.80 0.41 -0.49 0.00 0.00 175.26 176.12 2c3h n GLY 55 N 0.16 -0.08 2.91 -1.39 0.00 -1.26 -4.91 105.19 100.62 2c3h n GLY 55 Ca 0.04 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.21 0.17 -0.14 1.61 1.01 -1.26 -4.23 120.40 114.35 2c3h s VAL 56 Ca 0.39 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.40 2c3h s VAL 56 Cb -0.17 -0.15 -0.23 0.00 0.00 0.00 0.00 36.38 35.82 2c3h s VAL 56 CO 0.49 0.05 0.30 -0.62 0.00 0.00 0.00 175.10 175.32 2c3h n GLU 57 N 3.05 0.67 -3.49 2.72 -0.58 0.78 -4.01 120.64 119.78 2c3h n GLU 57 Ca -0.13 0.16 -0.14 0.00 -0.42 0.00 0.00 57.16 56.64 2c3h n GLU 57 Cb 0.59 -1.65 -0.04 0.00 -0.57 0.00 0.00 31.44 29.78 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 -6.03 -0.54 -0.04 1.62 1.04 -0.60 -2.96 113.70 106.19 2c3h s SER 58 Ca -0.12 0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.20 2c3h s SER 58 Cb 0.07 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.81 2c3h s SER 58 CO 0.79 -0.83 0.59 -0.69 0.98 0.00 0.00 173.24 174.09 2c3h s VAL 59 N -2.95 0.01 0.00 5.02 1.01 0.43 -2.07 120.40 121.86 2c3h s VAL 59 Ca -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2c3h s VAL 59 Cb -0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2c3h s VAL 59 CO -0.06 -0.06 0.16 -0.13 0.00 0.00 0.00 175.10 175.01 2c3h s ARG 60 N -1.21 3.33 -0.00 2.72 0.52 0.12 -1.68 118.95 122.74 2c3h s ARG 60 Ca -0.12 -0.39 -0.13 0.00 -0.52 0.00 0.00 55.73 54.57 2c3h s ARG 60 Cb -0.01 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.46 2c3h s ARG 60 CO 0.09 0.66 0.28 -0.48 0.02 0.00 0.00 175.30 175.86 2c3h s LEU 61 N -1.97 0.99 0.00 2.53 -0.00 0.14 -1.15 118.68 119.22 2c3h s LEU 61 Ca 0.27 -0.01 0.06 0.00 -0.00 0.00 0.00 54.13 54.46 2c3h s LEU 61 Cb -0.12 1.17 -0.02 0.00 -0.00 0.00 0.00 46.19 47.22 2c3h s LEU 61 CO 0.19 -0.46 -0.19 -0.76 -0.00 0.00 0.00 176.35 175.13 2c3h s LEU 62 N -1.44 2.08 0.02 1.48 1.02 0.44 0.02 118.68 122.29 2c3h s LEU 62 Ca -0.13 -0.39 -0.13 0.00 0.02 0.00 0.00 54.13 53.51 2c3h s LEU 62 Cb -0.05 -0.94 -0.06 0.00 0.02 0.00 0.00 46.19 45.16 2c3h s LEU 62 CO 0.03 0.20 0.39 -0.36 0.02 0.00 0.00 176.35 176.63 2c3h s PHE 63 N -0.55 3.68 0.04 0.29 0.08 -0.10 -0.04 117.98 121.38 2c3h s PHE 63 Ca 0.07 0.91 -0.08 0.00 0.12 0.00 0.00 56.93 57.96 2c3h s PHE 63 Cb -0.08 -2.23 -0.00 0.00 -0.57 0.00 0.00 43.02 40.14 2c3h s PHE 63 CO -0.00 0.61 0.15 -1.59 -0.10 0.00 0.00 175.22 174.29 2c3h s LYS 64 N -1.33 0.64 0.00 0.44 -2.85 -0.89 0.06 119.74 115.81 2c3h s LYS 64 Ca 0.26 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2c3h s LYS 64 Cb -0.16 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 2c3h s LYS 64 CO 0.14 -0.17 0.00 -0.40 0.10 0.00 0.00 175.35 175.02 2c3h n ASP 65 N 0.76 0.04 0.20 0.03 5.68 -0.64 0.39 116.55 123.01 2c3h n ASP 65 Ca -0.19 -0.53 0.10 0.00 -0.50 0.00 0.00 54.79 53.67 2c3h n ASP 65 Cb 0.58 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.79 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 3.08 -1.89 -3.45 114.38 112.23 2c3h h ARG 66 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2c3h h ARG 66 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2c3h h ARG 66 CO 0.00 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 2c3h n GLY 67 N 0.88 1.15 0.75 0.04 0.00 -1.26 -4.99 105.19 101.76 2c3h n GLY 67 Ca 0.03 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 0.03 -2.87 2.61 -2.24 -1.26 -4.95 114.28 105.60 2c3h n THR 68 Ca 0.00 -0.40 -0.40 0.00 -2.27 0.00 0.00 64.05 60.98 2c3h n THR 68 Cb 0.00 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.96 7.48 -0.09 3.42 -0.87 -1.26 -4.98 114.94 116.68 2c3h s ASN 69 Ca 0.33 1.76 -0.30 0.00 -1.57 0.00 0.00 52.86 53.08 2c3h s ASN 69 Cb 0.20 -2.55 0.11 0.00 -0.02 0.00 0.00 41.25 39.00 2c3h s ASN 69 CO 0.31 0.15 0.89 0.00 -2.57 0.00 0.00 177.10 175.88 2c3h s GLN 70 N -0.94 0.76 -0.18 -0.60 -2.07 -1.26 -1.63 119.66 113.75 2c3h s GLN 70 Ca 0.39 0.05 -0.04 0.00 -1.82 0.00 0.00 55.36 53.94 2c3h s GLN 70 Cb -0.24 0.36 0.09 0.00 -1.09 0.00 0.00 33.01 32.13 2c3h s GLN 70 CO 0.28 -0.27 0.27 -0.46 -1.32 0.00 0.00 175.29 173.80 2c3h s TRP 71 N -1.64 -0.45 1.35 9.60 -0.11 0.11 -4.06 118.94 123.74 2c3h s TRP 71 Ca -0.02 0.67 -0.21 0.00 1.22 0.00 0.00 56.10 57.77 2c3h s TRP 71 Cb -0.00 -0.14 0.34 0.00 -1.50 0.00 0.00 33.47 32.16 2c3h s TRP 71 CO 0.01 -0.52 0.97 -2.14 -4.62 0.00 0.00 176.95 170.65 2c3h s PRO 72 N 2.41 -2.38 0.93 5.86 0.02 -1.26 -0.93 135.00 139.65 2c3h s PRO 72 Ca 0.05 0.23 -0.12 0.00 0.02 0.00 0.00 61.00 61.18 2c3h s PRO 72 Cb -0.14 -1.43 0.15 0.00 0.02 0.00 0.00 34.50 33.10 2c3h s PRO 72 CO -0.11 -4.54 1.11 0.20 -0.33 0.00 0.00 177.00 173.33 2c3h s GLY 73 N -3.14 1.58 -0.16 0.52 0.00 -1.26 -4.84 107.32 100.03 2c3h s GLY 73 Ca 0.69 -0.35 -0.39 0.00 0.00 0.00 0.00 44.72 44.67 2c3h s GLY 73 CO 0.59 0.20 1.62 -1.05 0.00 0.00 0.00 173.10 174.46 2c3h n PRO 74 N -3.92 1.20 0.00 2.90 -0.02 -1.26 -1.12 135.00 132.78 2c3h n PRO 74 Ca 0.06 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2c3h n PRO 74 Cb 0.57 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.68 2.72 3.73 -1.23 0.00 -1.26 -5.01 105.19 107.83 2c3h n GLY 75 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.25 4.38 0.45 1.61 0.41 -0.28 -4.99 118.70 120.05 2c3h s GLU 76 Ca 0.00 2.03 -0.24 0.00 -0.41 0.00 0.00 54.97 56.35 2c3h s GLU 76 Cb 0.00 -3.22 -0.09 0.00 -1.78 0.00 0.00 34.13 29.05 2c3h s GLU 76 CO 0.00 -0.28 1.21 -2.30 -0.49 0.00 0.00 175.26 173.40 2c3h n PRO 77 N 2.96 1.71 -1.44 0.39 -0.02 -1.26 -4.78 135.00 132.57 2c3h n PRO 77 Ca 0.07 0.62 -0.39 0.00 -2.02 0.00 0.00 63.50 61.78 2c3h n PRO 77 Cb 0.43 -2.34 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2c3h n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c3h n GLY 78 N 0.90 -1.72 3.67 -1.23 0.00 -1.26 -4.81 105.19 100.75 2c3h n GLY 78 Ca 0.08 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 2c3h n GLY 78 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c3h n PHE 79 N -1.58 2.17 -3.25 1.61 3.72 0.10 -4.49 117.46 115.74 2c3h n PHE 79 Ca 0.11 0.42 -0.38 0.00 -0.05 0.00 0.00 57.45 57.55 2c3h n PHE 79 Cb 0.47 -2.47 -0.06 0.00 -0.94 0.00 0.00 39.48 36.48 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 0.02 3.60 -0.12 1.38 5.36 -1.26 0.27 117.98 127.23 2c3h s PHE 80 Ca 0.69 1.06 -0.23 0.00 -0.96 0.00 0.00 56.93 57.49 2c3h s PHE 80 Cb -0.65 -2.59 0.05 0.00 -0.34 0.00 0.00 43.02 39.50 2c3h s PHE 80 CO 0.49 0.26 0.56 1.03 -1.46 0.00 0.00 175.22 176.10 2c3h s ARG 81 N 0.21 0.81 0.00 10.12 1.81 -0.68 -4.97 118.95 126.25 2c3h s ARG 81 Ca 0.29 0.42 0.00 0.00 -1.72 0.00 0.00 55.73 54.72 2c3h s ARG 81 Cb -0.17 0.38 0.00 0.00 -0.45 0.00 0.00 34.95 34.71 2c3h s ARG 81 CO 0.14 -0.19 0.00 -3.47 -0.68 0.00 0.00 175.30 171.10 2c3h n ASP 82 N 1.84 0.00 -3.66 0.23 2.03 -1.15 0.16 116.55 115.99 2c3h n ASP 82 Ca -0.17 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.04 2c3h n ASP 82 Cb 0.56 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.92 2c3h n ASP 82 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2c3h s GLN 83 N 0.00 1.23 0.53 -0.67 -2.07 -1.26 -4.80 119.66 112.62 2c3h s GLN 83 Ca 0.00 -0.76 -0.21 0.00 -1.82 0.00 0.00 55.36 52.57 2c3h s GLN 83 Cb 0.00 0.50 -0.07 0.00 -1.09 0.00 0.00 33.01 32.35 2c3h s GLN 83 CO 0.00 -0.51 0.94 -0.25 -1.32 0.00 0.00 175.29 174.15 2c3h n ASP 84 N -0.29 0.77 0.00 12.60 10.43 -1.26 -4.86 116.55 133.94 2c3h n ASP 84 Ca -0.13 0.88 0.00 0.00 2.57 0.00 0.00 54.79 58.11 2c3h n ASP 84 Cb 0.63 -1.35 0.00 0.00 1.84 0.00 0.00 41.12 42.24 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 1.30 0.00 3.37 0.44 0.00 -1.23 -4.68 105.19 104.40 2c3h n GLY 85 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 3.14 -0.18 1.61 0.52 -0.16 0.28 118.94 124.16 2c3h s TRP 86 Ca 0.00 -0.83 0.01 0.00 0.02 0.00 0.00 56.10 55.30 2c3h s TRP 86 Cb 0.00 -2.27 0.02 0.00 -1.15 0.00 0.00 33.47 30.07 2c3h s TRP 86 CO 0.00 -0.52 -0.19 0.12 0.02 0.00 0.00 176.95 176.38 2c3h s PHE 87 N 1.54 2.78 -0.13 -1.98 5.36 0.22 0.24 117.98 126.01 2c3h s PHE 87 Ca 0.04 -1.51 0.20 0.00 -0.96 0.00 0.00 56.93 54.69 2c3h s PHE 87 Cb -0.17 -1.92 0.45 0.00 -0.34 0.00 0.00 43.02 41.04 2c3h s PHE 87 CO 0.03 -0.74 1.17 -0.40 -1.46 0.00 0.00 175.22 173.82 2c3h n ASP 88 N 4.51 1.66 0.00 6.13 3.85 -1.26 -0.77 116.55 130.67 2c3h n ASP 88 Ca -0.21 -2.60 0.00 0.00 -0.71 0.00 0.00 54.79 51.27 2c3h n ASP 88 Cb 0.50 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 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 -0.21 2.95 3.17 6.12 0.00 -1.26 -4.99 105.19 110.98 2c3h n GLY 89 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.56 0.84 0.16 1.61 0.41 -1.26 -5.16 118.70 114.73 2c3h s GLU 90 Ca 0.00 -1.23 -0.16 0.00 -0.41 0.00 0.00 54.97 53.17 2c3h s GLU 90 Cb 0.00 0.27 -0.07 0.00 -1.78 0.00 0.00 34.13 32.55 2c3h s GLU 90 CO 0.00 -0.24 0.59 -1.58 -0.49 0.00 0.00 175.26 173.54 2c3h s TRP 91 N -3.96 3.63 0.00 1.61 0.52 -1.26 -4.18 118.94 115.30 2c3h s TRP 91 Ca 0.14 1.15 0.00 0.00 0.02 0.00 0.00 56.10 57.40 2c3h s TRP 91 Cb 0.06 -2.43 -0.00 0.00 -1.15 0.00 0.00 33.47 29.95 2c3h s TRP 91 CO -0.05 0.42 -0.01 -1.01 0.02 0.00 0.00 176.95 176.33 2c3h s HIS 92 N -1.45 0.05 0.05 -1.98 3.76 0.14 -4.98 115.29 110.88 2c3h s HIS 92 Ca 0.38 -0.07 -0.27 0.00 -0.15 0.00 0.00 55.06 54.96 2c3h s HIS 92 Cb -0.16 -0.04 -0.17 0.00 1.11 0.00 0.00 32.58 33.33 2c3h s HIS 92 CO 0.19 -0.02 1.51 -0.39 -0.85 0.00 0.00 174.74 175.18 2c3h h VAL 93 N 5.08 0.75 -0.97 -0.90 -1.51 -1.86 -0.39 116.25 116.46 2c3h h VAL 93 Ca -0.25 -0.29 -0.61 0.00 -1.23 0.00 0.00 66.70 64.32 2c3h h VAL 93 Cb 1.21 0.92 -0.09 0.00 -2.13 0.00 0.00 31.29 31.19 2c3h h VAL 93 CO 0.50 0.06 -0.47 -1.81 -1.23 0.00 0.00 177.57 174.62 2c3h s ASP 94 N -4.98 4.32 0.00 4.19 1.01 -1.26 -4.07 116.67 115.88 2c3h s ASP 94 Ca -0.15 -1.33 0.26 0.00 0.71 0.00 0.00 52.55 52.04 2c3h s ASP 94 Cb 0.04 0.06 1.56 0.00 1.01 0.00 0.00 42.92 45.59 2c3h s ASP 94 CO 0.61 -0.77 1.91 -2.11 0.21 0.00 0.00 175.17 175.03