#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 2.77 -0.24 0.99 2.96 -0.28 -4.86 118.68 120.02 2c3h s LEU 6 Ca 0.00 -0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 52.87 2c3h s LEU 6 Cb 0.00 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 2c3h s LEU 6 CO 0.00 -0.09 0.21 -0.89 -1.32 0.00 0.00 176.35 174.26 2c3h s THR 7 N 1.24 5.32 0.02 3.68 2.01 -1.26 0.06 115.64 126.70 2c3h s THR 7 Ca -0.00 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.35 2c3h s THR 7 Cb -0.16 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 2c3h s THR 7 CO -0.09 0.31 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.29 2c3h s ILE 8 N 1.22 1.85 -0.03 1.82 1.01 0.87 -4.07 121.20 123.88 2c3h s ILE 8 Ca 0.10 -1.15 0.05 0.00 0.00 0.00 0.00 60.65 59.65 2c3h s ILE 8 Cb -0.14 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2c3h s ILE 8 CO 0.06 0.39 -0.19 -0.31 0.00 0.00 0.00 174.94 174.89 2c3h s TYR 9 N -0.68 1.81 -0.03 3.97 2.02 0.52 -0.77 117.35 124.19 2c3h s TYR 9 Ca 0.09 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2c3h s TYR 9 Cb -0.09 -1.19 0.03 0.00 -0.40 0.00 0.00 41.96 40.31 2c3h s TYR 9 CO 0.01 -0.11 0.02 0.12 -1.57 0.00 0.00 175.55 174.01 2c3h s PHE 10 N -0.21 0.22 -0.62 2.71 5.36 -0.25 -0.64 117.98 124.55 2c3h s PHE 10 Ca 0.01 0.06 -0.25 0.00 -0.96 0.00 0.00 56.93 55.79 2c3h s PHE 10 Cb -0.10 -0.38 0.04 0.00 -0.34 0.00 0.00 43.02 42.24 2c3h s PHE 10 CO 0.01 -0.13 1.07 0.21 -1.46 0.00 0.00 175.22 174.92 2c3h s LYS 11 N 1.20 3.30 -0.20 10.12 2.20 -0.52 -0.73 119.74 135.11 2c3h s LYS 11 Ca -0.07 -0.26 -0.33 0.00 -0.36 0.00 0.00 55.97 54.95 2c3h s LYS 11 Cb -0.13 -4.11 -0.10 0.00 -1.51 0.00 0.00 37.83 31.99 2c3h s LYS 11 CO -0.02 -1.74 2.07 1.17 -0.36 0.00 0.00 175.35 176.47 2c3h n LYS 12 N 8.13 1.83 -1.73 4.03 4.81 -0.14 -4.85 118.16 130.24 2c3h n LYS 12 Ca 0.02 0.59 -0.39 0.00 -0.87 0.00 0.00 58.31 57.66 2c3h n LYS 12 Cb 0.48 -2.77 0.04 0.00 0.02 0.00 0.00 35.03 32.79 2c3h n LYS 12 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2c3h n PRO 13 N 7.73 1.65 -0.18 1.64 -0.02 -1.26 -4.90 135.00 139.66 2c3h n PRO 13 Ca 0.30 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.52 2c3h n PRO 13 Cb 0.32 -2.52 0.46 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.41 0.47 0.64 2.55 3.45 -2.00 -1.32 116.42 121.62 2c3h h ASP 14 Ca -0.50 0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.98 2c3h h ASP 14 Cb 1.31 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 2c3h h ASP 14 CO 0.57 0.25 0.00 -1.54 -1.57 0.00 0.00 179.24 176.95 2c3h n SER 15 N -4.49 0.58 -4.86 6.45 3.41 -1.26 -4.81 113.62 108.63 2c3h n SER 15 Ca 0.14 0.65 -0.33 0.00 -0.26 0.00 0.00 58.87 59.07 2c3h n SER 15 Cb 0.46 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 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 -3.30 3.50 0.57 7.33 0.52 -0.50 -5.08 118.94 121.98 2c3h s TRP 16 Ca 0.04 0.96 -0.10 0.00 0.02 0.00 0.00 56.10 57.02 2c3h s TRP 16 Cb 0.09 -2.31 0.14 0.00 -1.15 0.00 0.00 33.47 30.24 2c3h s TRP 16 CO 0.36 0.33 0.56 0.41 0.02 0.00 0.00 176.95 178.63 2c3h n GLY 17 N 0.25 -2.32 3.72 0.98 0.00 -1.26 -4.92 105.19 101.63 2c3h n GLY 17 Ca -0.02 -1.52 -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 -1.08 0.00 0.00 0.00 173.32 172.24 2c3h s THR 18 N -2.06 3.38 0.40 2.61 -1.32 -1.26 -4.75 115.64 112.64 2c3h s THR 18 Ca 0.35 1.02 -0.26 0.00 -1.21 0.00 0.00 61.69 61.59 2c3h s THR 18 Cb -0.03 -3.65 -0.09 0.00 -1.51 0.00 0.00 72.50 67.22 2c3h s THR 18 CO 0.26 0.09 1.25 -2.16 -2.21 0.00 0.00 174.62 171.85 2c3h s PRO 19 N 0.89 4.03 0.13 7.08 0.04 -1.26 -4.31 135.00 141.60 2c3h s PRO 19 Ca 0.62 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.78 2c3h s PRO 19 Cb -0.36 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 2c3h s PRO 19 CO 0.31 -0.40 -0.15 -1.01 0.04 0.00 0.00 177.00 175.80 2c3h s HIS 20 N -1.31 2.60 -0.27 0.56 3.76 0.30 -0.44 115.29 120.49 2c3h s HIS 20 Ca 0.56 -0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 55.16 2c3h s HIS 20 Cb -0.35 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 2c3h s HIS 20 CO 0.45 0.42 0.10 -1.17 -0.85 0.00 0.00 174.74 173.69 2c3h s LEU 21 N -2.29 3.65 -0.12 0.89 2.96 -1.19 -1.34 118.68 121.25 2c3h s LEU 21 Ca 0.20 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 53.78 2c3h s LEU 21 Cb -0.10 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2c3h s LEU 21 CO 0.12 -0.07 0.13 -0.47 -1.32 0.00 0.00 176.35 174.74 2c3h s TYR 22 N 1.63 3.55 -0.05 5.38 5.04 0.20 -4.46 117.35 128.64 2c3h s TYR 22 Ca 0.06 0.49 -0.15 0.00 -2.44 0.00 0.00 57.07 55.03 2c3h s TYR 22 Cb -0.16 -1.95 0.03 0.00 0.35 0.00 0.00 41.96 40.24 2c3h s TYR 22 CO 0.05 0.69 0.35 1.52 -1.34 0.00 0.00 175.55 176.81 2c3h s TYR 23 N -0.91 -0.27 0.01 4.97 1.13 -1.26 -1.20 117.35 119.81 2c3h s TYR 23 Ca 0.14 0.53 0.00 0.00 -1.41 0.00 0.00 57.07 56.34 2c3h s TYR 23 Cb -0.12 0.12 -0.00 0.00 -1.10 0.00 0.00 41.96 40.86 2c3h s TYR 23 CO 0.03 -0.34 0.00 2.48 -2.51 0.00 0.00 175.55 175.22 2c3h n TYR 24 N 1.76 -0.01 -4.07 -3.49 4.11 -0.48 -4.62 117.16 110.37 2c3h n TYR 24 Ca -0.19 -0.06 -0.31 0.00 -0.00 0.00 0.00 57.90 57.35 2c3h n TYR 24 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.89 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 -2.57 -2.17 -4.76 9.48 9.92 -1.26 -1.50 116.55 123.70 2c3h n ASP 25 Ca 0.00 -0.98 -0.41 0.00 -0.53 0.00 0.00 54.79 52.87 2c3h n ASP 25 Cb 0.01 -3.02 -0.02 0.00 -0.64 0.00 0.00 41.12 37.45 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 -3.59 2.87 -0.13 -3.53 -4.23 -1.26 -4.15 115.64 101.62 2c3h s THR 26 Ca 0.41 0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 61.69 2c3h s THR 26 Cb -0.22 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.16 2c3h s THR 26 CO 0.90 0.17 0.13 0.21 -0.54 0.00 0.00 174.62 175.49 2c3h s ASN 27 N -0.23 1.51 0.71 3.99 2.47 -0.77 -2.89 114.94 119.73 2c3h s ASN 27 Ca 0.52 -0.16 -0.16 0.00 0.42 0.00 0.00 52.86 53.47 2c3h s ASN 27 Cb -0.39 0.05 0.02 0.00 -1.45 0.00 0.00 41.25 39.49 2c3h s ASN 27 CO 0.48 -0.30 1.25 -2.84 -3.72 0.00 0.00 177.10 171.97 2c3h s PRO 28 N 2.23 2.23 0.06 0.43 0.02 -1.26 0.19 135.00 138.89 2c3h s PRO 28 Ca 0.04 1.91 -0.36 0.00 0.02 0.00 0.00 61.00 62.62 2c3h s PRO 28 Cb -0.14 -1.83 -0.15 0.00 0.02 0.00 0.00 34.50 32.40 2c3h s PRO 28 CO -0.08 -1.81 1.52 1.17 -0.33 0.00 0.00 177.00 177.48 2c3h n LYS 29 N -2.44 1.61 -4.22 5.54 3.00 -1.14 -4.74 118.16 115.77 2c3h n LYS 29 Ca 0.15 0.58 -0.13 0.00 -0.00 0.00 0.00 58.31 58.91 2c3h n LYS 29 Cb 0.49 -2.30 -0.10 0.00 0.00 0.00 0.00 35.03 33.12 2c3h n LYS 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2c3h s VAL 30 N 1.34 0.38 0.04 3.15 1.01 -1.26 -5.07 120.40 119.98 2c3h s VAL 30 Ca 0.85 -1.96 -0.36 0.00 0.00 0.00 0.00 61.98 60.50 2c3h s VAL 30 Cb -0.84 -2.24 -0.15 0.00 0.00 0.00 0.00 36.38 33.15 2c3h s VAL 30 CO 0.46 -0.32 1.52 -0.67 0.00 0.00 0.00 175.10 176.09 2c3h n ASP 31 N -0.24 2.35 -4.05 3.32 2.03 -1.26 -4.90 116.55 113.81 2c3h n ASP 31 Ca -0.04 1.09 -0.34 0.00 0.52 0.00 0.00 54.79 56.02 2c3h n ASP 31 Cb 0.64 -1.27 -0.12 0.00 -0.72 0.00 0.00 41.12 39.65 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 1.41 2.09 0.44 -0.67 2.02 -1.26 -5.08 118.70 117.65 2c3h s GLU 32 Ca 0.86 -2.30 -0.22 0.00 0.02 0.00 0.00 54.97 53.33 2c3h s GLU 32 Cb -0.86 -3.49 -0.12 0.00 0.10 0.00 0.00 34.13 29.76 2c3h s GLU 32 CO 0.47 -1.09 0.67 -2.30 0.02 0.00 0.00 175.26 173.03 2c3h n PRO 33 N 3.74 0.75 -1.63 0.39 -0.02 -1.26 -4.96 135.00 132.00 2c3h n PRO 33 Ca 0.04 0.27 -0.38 0.00 -2.02 0.00 0.00 63.50 61.42 2c3h n PRO 33 Cb 0.38 -1.66 0.05 0.00 -0.02 0.00 0.00 33.50 32.24 2c3h n PRO 33 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2c3h n THR 34 N -0.87 3.72 -0.29 3.45 -1.04 -1.26 -4.73 114.28 113.26 2c3h n THR 34 Ca 0.11 -0.50 0.11 0.00 -2.04 0.00 0.00 64.05 61.73 2c3h n THR 34 Cb 0.40 -1.22 0.24 0.00 -1.82 0.00 0.00 70.33 67.94 2c3h n THR 34 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2c3h h TRP 35 N 0.64 0.13 0.00 -1.42 2.91 -1.97 0.14 115.95 116.37 2c3h h TRP 35 Ca -0.49 0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.59 2c3h h TRP 35 Cb 1.36 0.08 0.00 0.00 -0.51 0.00 0.00 29.16 30.09 2c3h h TRP 35 CO 0.39 -0.27 -0.13 -1.13 -1.03 0.00 0.00 178.44 176.27 2c3h n SER 36 N -5.32 0.45 0.03 2.65 3.41 -1.26 -3.20 113.62 110.37 2c3h n SER 36 Ca 0.19 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 2c3h n SER 36 Cb 0.63 -0.46 0.03 0.00 -0.26 0.00 0.00 64.21 64.15 2c3h n SER 36 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2c3h n GLU 37 N -1.86 0.28 -1.67 4.33 1.02 0.23 -4.95 120.64 118.02 2c3h n GLU 37 Ca 0.06 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.77 2c3h n GLU 37 Cb 0.39 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.82 1.76 -1.94 0.62 0.00 0.20 -4.83 120.51 114.49 2c3h n ALA 38 Ca 0.02 0.26 -0.25 0.00 0.00 0.00 0.00 53.44 53.46 2c3h n ALA 38 Cb 0.43 -2.64 0.08 0.00 0.00 0.00 0.00 19.45 17.32 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 3.78 2.09 0.29 0.00 0.04 -1.26 -4.73 135.00 135.20 2c3h s PRO 39 Ca 0.87 -0.43 -0.29 0.00 0.04 0.00 0.00 61.00 61.19 2c3h s PRO 39 Cb -0.47 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.76 2c3h s PRO 39 CO 0.41 -1.27 1.39 -1.21 0.04 0.00 0.00 177.00 176.36 2c3h s GLU 40 N -5.21 4.30 0.56 4.56 2.02 -1.26 -3.13 118.70 120.53 2c3h s GLU 40 Ca 0.61 2.27 -0.19 0.00 0.02 0.00 0.00 54.97 57.69 2c3h s GLU 40 Cb -0.10 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 2c3h s GLU 40 CO 0.44 -0.33 1.15 -1.64 0.02 0.00 0.00 175.26 174.90 2c3h s MET 41 N -1.00 3.25 0.30 1.61 -1.94 0.41 -4.88 119.30 117.06 2c3h s MET 41 Ca 0.55 1.66 -0.28 0.00 -1.71 0.00 0.00 55.69 55.91 2c3h s MET 41 Cb -0.41 -1.99 -0.09 0.00 2.01 0.00 0.00 34.83 34.35 2c3h s MET 41 CO 0.48 -0.95 1.00 -1.21 -0.01 0.00 0.00 175.02 174.34 2c3h s GLU 42 N -3.32 4.60 0.19 2.03 2.02 0.88 -4.76 118.70 120.34 2c3h s GLU 42 Ca 0.74 1.53 -0.30 0.00 0.02 0.00 0.00 54.97 56.95 2c3h s GLU 42 Cb -0.25 -2.99 -0.09 0.00 0.10 0.00 0.00 34.13 30.90 2c3h s GLU 42 CO 0.29 0.25 1.38 -1.58 0.02 0.00 0.00 175.26 175.62 2c3h s HIS 43 N -1.38 3.18 -0.01 1.61 5.65 -1.26 0.15 115.29 123.23 2c3h s HIS 43 Ca 0.47 1.06 -0.02 0.00 0.25 0.00 0.00 55.06 56.83 2c3h s HIS 43 Cb -0.25 -3.70 -0.01 0.00 -1.18 0.00 0.00 32.58 27.45 2c3h s HIS 43 CO 0.31 -2.32 -0.03 0.98 -0.65 0.00 0.00 174.74 173.03 2c3h n TYR 44 N 3.00 0.00 -3.66 3.88 9.36 0.62 -4.78 117.16 125.58 2c3h n TYR 44 Ca 0.08 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.22 2c3h n TYR 44 Cb 0.42 -0.04 -0.08 0.00 -0.63 0.00 0.00 39.34 39.00 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 -1.22 0.56 5.96 2.98 2.12 -0.94 -5.01 118.70 123.15 2c3h s GLU 45 Ca -0.02 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.37 2c3h s GLU 45 Cb 0.00 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2c3h s GLU 45 CO 0.04 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 2c3h n GLY 46 N 4.43 3.72 0.03 -1.50 0.00 -1.26 -0.07 105.19 110.54 2c3h n GLY 46 Ca -0.20 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 6.53 0.10 -4.75 1.61 8.00 -1.26 -4.88 116.55 121.89 2c3h n ASP 47 Ca 0.00 -0.60 -0.38 0.00 0.71 0.00 0.00 54.79 54.52 2c3h n ASP 47 Cb 0.00 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.30 3.57 0.26 1.24 0.52 0.90 -0.97 118.94 122.16 2c3h s TRP 48 Ca 0.37 0.87 0.10 0.00 0.02 0.00 0.00 56.10 57.47 2c3h s TRP 48 Cb 0.21 -2.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.04 2c3h s TRP 48 CO 0.42 0.31 -0.04 0.71 0.02 0.00 0.00 176.95 178.37 2c3h s TYR 49 N 0.12 2.64 0.04 -1.98 2.02 0.09 -0.27 117.35 120.01 2c3h s TYR 49 Ca 0.24 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 2c3h s TYR 49 Cb -0.15 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.21 2c3h s TYR 49 CO 0.10 0.62 -0.06 -0.08 -1.57 0.00 0.00 175.55 174.57 2c3h s THR 50 N -2.29 0.38 -0.20 -0.71 -1.32 0.41 -1.08 115.64 110.82 2c3h s THR 50 Ca 0.31 -1.21 -0.12 0.00 -1.21 0.00 0.00 61.69 59.45 2c3h s THR 50 Cb -0.06 -0.73 0.06 0.00 -1.51 0.00 0.00 72.50 70.26 2c3h s THR 50 CO 0.19 -0.55 0.50 -2.28 -2.21 0.00 0.00 174.62 170.27 2c3h s HIS 51 N -1.98 -0.73 -0.25 9.09 2.46 0.05 -0.08 115.29 123.85 2c3h s HIS 51 Ca -0.07 1.54 -0.12 0.00 0.47 0.00 0.00 55.06 56.88 2c3h s HIS 51 Cb -0.06 0.36 -0.05 0.00 -0.13 0.00 0.00 32.58 32.70 2c3h s HIS 51 CO -0.02 -0.39 0.22 0.99 -2.47 0.00 0.00 174.74 173.07 2c3h s THR 52 N 1.31 5.31 -0.34 0.89 2.01 -1.26 -0.09 115.64 123.47 2c3h s THR 52 Ca -0.08 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 2c3h s THR 52 Cb -0.07 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.89 2c3h s THR 52 CO -0.13 0.29 0.67 -0.63 -0.69 0.00 0.00 174.62 174.13 2c3h s ILE 53 N 1.36 4.87 0.50 1.82 1.01 0.11 -4.91 121.20 125.95 2c3h s ILE 53 Ca 0.09 0.72 -0.20 0.00 0.00 0.00 0.00 60.65 61.26 2c3h s ILE 53 Cb -0.14 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 2c3h s ILE 53 CO 0.07 -0.29 1.08 -1.61 0.00 0.00 0.00 174.94 174.18 2c3h s GLU 54 N 2.77 3.68 -1.38 2.79 2.02 -1.26 -1.12 118.70 126.20 2c3h s GLU 54 Ca 0.26 1.48 -0.00 0.00 0.02 0.00 0.00 54.97 56.73 2c3h s GLU 54 Cb -0.14 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.97 2c3h s GLU 54 CO 0.14 -0.55 0.03 0.41 0.02 0.00 0.00 175.26 175.31 2c3h n GLY 55 N -0.03 -0.30 3.08 -1.39 0.00 -1.26 -4.93 105.19 100.35 2c3h n GLY 55 Ca 0.10 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.82 0.97 -0.20 1.61 0.11 -1.26 -4.21 120.40 114.59 2c3h s VAL 56 Ca 0.02 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 2c3h s VAL 56 Cb -0.01 -0.81 -0.13 0.00 -1.53 0.00 0.00 36.38 33.91 2c3h s VAL 56 CO 0.02 0.27 -0.18 -0.62 -3.33 0.00 0.00 175.10 171.26 2c3h n GLU 57 N 2.80 0.50 -4.23 1.54 -0.58 0.50 -4.05 120.64 117.11 2c3h n GLU 57 Ca -0.14 0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.59 2c3h n GLU 57 Cb 0.56 -1.39 -0.10 0.00 -0.57 0.00 0.00 31.44 29.93 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 -5.98 1.00 0.01 1.62 1.04 -0.39 -3.11 113.70 107.89 2c3h s SER 58 Ca -0.27 -1.20 -0.28 0.00 0.48 0.00 0.00 55.95 54.68 2c3h s SER 58 Cb 0.07 0.16 0.08 0.00 0.10 0.00 0.00 66.02 66.43 2c3h s SER 58 CO 0.46 -0.62 0.71 0.54 0.98 0.00 0.00 173.24 175.31 2c3h s VAL 59 N -3.76 0.00 -0.18 5.02 0.11 0.50 -1.84 120.40 120.25 2c3h s VAL 59 Ca 0.25 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.24 2c3h s VAL 59 Cb 0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2c3h s VAL 59 CO 0.04 0.00 0.04 -0.13 -3.33 0.00 0.00 175.10 171.72 2c3h s ARG 60 N -2.15 3.87 0.04 1.54 0.52 -0.56 -1.35 118.95 120.86 2c3h s ARG 60 Ca -0.05 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2c3h s ARG 60 Cb -0.00 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 2c3h s ARG 60 CO 0.00 0.21 -0.07 -0.48 0.02 0.00 0.00 175.30 174.99 2c3h s LEU 61 N 0.51 2.27 0.04 2.53 0.05 0.34 -1.38 118.68 123.04 2c3h s LEU 61 Ca 0.02 -0.58 0.03 0.00 0.05 0.00 0.00 54.13 53.65 2c3h s LEU 61 Cb -0.13 -0.11 -0.02 0.00 -2.05 0.00 0.00 46.19 43.87 2c3h s LEU 61 CO 0.01 -0.24 -0.10 -0.76 -0.55 0.00 0.00 176.35 174.71 2c3h s LEU 62 N -1.67 2.20 0.11 1.48 1.02 -0.34 0.09 118.68 121.57 2c3h s LEU 62 Ca -0.09 -0.47 -0.00 0.00 0.02 0.00 0.00 54.13 53.58 2c3h s LEU 62 Cb -0.09 -0.35 -0.04 0.00 0.02 0.00 0.00 46.19 45.73 2c3h s LEU 62 CO -0.00 -0.09 0.27 -0.36 0.02 0.00 0.00 176.35 176.19 2c3h s PHE 63 N -1.05 3.50 0.03 0.29 0.08 0.19 -0.63 117.98 120.40 2c3h s PHE 63 Ca -0.04 0.27 -0.22 0.00 0.12 0.00 0.00 56.93 57.07 2c3h s PHE 63 Cb -0.08 -1.78 0.05 0.00 -0.57 0.00 0.00 43.02 40.63 2c3h s PHE 63 CO 0.01 0.53 0.50 -1.59 -0.10 0.00 0.00 175.22 174.57 2c3h s LYS 64 N -2.79 0.99 0.53 0.44 -2.85 -0.45 -0.47 119.74 115.14 2c3h s LYS 64 Ca 0.36 -0.21 0.08 0.00 -1.00 0.00 0.00 55.97 55.19 2c3h s LYS 64 Cb -0.12 0.45 0.08 0.00 -2.06 0.00 0.00 37.83 36.18 2c3h s LYS 64 CO 0.28 -0.35 0.63 -0.40 0.10 0.00 0.00 175.35 175.61 2c3h n ASP 65 N 0.52 2.16 0.00 0.03 5.68 -0.82 0.11 116.55 124.23 2c3h n ASP 65 Ca -0.19 -2.53 0.11 0.00 -0.50 0.00 0.00 54.79 51.69 2c3h n ASP 65 Cb 0.60 -0.28 0.63 0.00 -1.14 0.00 0.00 41.12 40.93 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 -2.02 0.61 0.00 0.11 1.74 -1.26 -4.67 116.66 111.17 2c3h n ARG 66 Ca 0.10 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2c3h n ARG 66 Cb 0.56 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.41 0.74 0.97 -0.13 0.00 -1.26 -5.01 105.19 100.91 2c3h n GLY 67 Ca 0.15 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 0.15 -2.91 2.61 -2.24 -1.26 -4.97 114.28 105.66 2c3h n THR 68 Ca 0.00 -0.58 -0.39 0.00 -2.27 0.00 0.00 64.05 60.81 2c3h n THR 68 Cb 0.00 1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.76 7.46 0.12 3.42 -0.87 -1.26 -5.00 114.94 117.05 2c3h s ASN 69 Ca 0.30 1.74 -0.22 0.00 -1.57 0.00 0.00 52.86 53.11 2c3h s ASN 69 Cb 0.20 -2.53 0.06 0.00 -0.02 0.00 0.00 41.25 38.95 2c3h s ASN 69 CO 0.29 0.18 0.54 0.00 -2.57 0.00 0.00 177.10 175.54 2c3h s GLN 70 N -1.21 1.17 -0.24 -0.60 -2.07 -1.26 -1.95 119.66 113.50 2c3h s GLN 70 Ca 0.38 -0.45 -0.04 0.00 -1.82 0.00 0.00 55.36 53.42 2c3h s GLN 70 Cb -0.24 0.53 0.13 0.00 -1.09 0.00 0.00 33.01 32.34 2c3h s GLN 70 CO 0.28 -0.48 0.45 -0.46 -1.32 0.00 0.00 175.29 173.75 2c3h s TRP 71 N -3.41 -0.97 1.25 9.60 -0.11 0.38 -4.16 118.94 121.52 2c3h s TRP 71 Ca -0.00 1.32 -0.16 0.00 1.22 0.00 0.00 56.10 58.48 2c3h s TRP 71 Cb -0.00 0.26 0.32 0.00 -1.50 0.00 0.00 33.47 32.54 2c3h s TRP 71 CO -0.10 -0.66 0.99 -2.14 -4.62 0.00 0.00 176.95 170.43 2c3h s PRO 72 N 2.64 -1.63 1.11 5.86 0.02 -1.26 0.56 135.00 142.31 2c3h s PRO 72 Ca 0.08 0.59 -0.13 0.00 0.02 0.00 0.00 61.00 61.55 2c3h s PRO 72 Cb -0.14 -1.49 0.25 0.00 0.02 0.00 0.00 34.50 33.14 2c3h s PRO 72 CO -0.16 -4.13 1.05 0.20 -0.33 0.00 0.00 177.00 173.64 2c3h s GLY 73 N -2.71 1.54 0.02 0.52 0.00 -1.26 -4.83 107.32 100.60 2c3h s GLY 73 Ca 0.69 -0.33 -0.34 0.00 0.00 0.00 0.00 44.72 44.73 2c3h s GLY 73 CO 0.63 0.37 1.75 -1.05 0.00 0.00 0.00 173.10 174.80 2c3h n PRO 74 N -4.64 2.14 -0.98 2.90 -0.02 -1.26 -1.92 135.00 131.23 2c3h n PRO 74 Ca 0.04 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2c3h n PRO 74 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.96 0.65 3.75 -1.23 0.00 -1.26 -5.00 105.19 106.07 2c3h n GLY 75 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2c3h n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c3h s GLU 76 N -0.17 4.83 0.31 1.61 2.56 -0.81 -5.01 118.70 122.03 2c3h s GLU 76 Ca 0.00 1.52 -0.27 0.00 0.00 0.00 0.00 54.97 56.22 2c3h s GLU 76 Cb 0.00 -3.27 -0.14 0.00 2.00 0.00 0.00 34.13 32.72 2c3h s GLU 76 CO 0.00 0.48 0.91 -2.30 -0.56 0.00 0.00 175.26 173.79 2c3h n PRO 77 N 1.50 1.14 -1.49 4.30 -0.02 -1.26 -4.87 135.00 134.30 2c3h n PRO 77 Ca -0.02 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 2c3h n PRO 77 Cb 0.47 -1.74 0.09 0.00 -0.02 0.00 0.00 33.50 32.30 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 -0.66 1.63 0.24 -1.23 0.00 -1.26 -4.80 107.32 101.24 2c3h s GLY 78 Ca 0.60 -0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.89 2c3h s GLY 78 CO 0.59 0.29 1.37 -1.36 0.00 0.00 0.00 173.10 173.99 2c3h s PHE 79 N -3.10 3.11 -0.15 1.90 0.08 0.11 -4.45 117.98 115.49 2c3h s PHE 79 Ca 0.61 1.16 -0.22 0.00 0.12 0.00 0.00 56.93 58.60 2c3h s PHE 79 Cb -0.15 -3.72 -0.03 0.00 -0.57 0.00 0.00 43.02 38.55 2c3h s PHE 79 CO 0.55 -2.25 0.65 0.12 -0.10 0.00 0.00 175.22 174.18 2c3h s PHE 80 N -0.13 3.46 0.03 0.36 5.36 -1.26 -0.51 117.98 125.28 2c3h s PHE 80 Ca 0.57 1.05 0.01 0.00 -0.96 0.00 0.00 56.93 57.59 2c3h s PHE 80 Cb -0.40 -2.79 -0.02 0.00 -0.34 0.00 0.00 43.02 39.48 2c3h s PHE 80 CO 0.43 -0.05 -0.04 1.03 -1.46 0.00 0.00 175.22 175.12 2c3h s ARG 81 N 1.42 0.36 0.00 10.12 1.81 -0.46 -4.95 118.95 127.25 2c3h s ARG 81 Ca 0.32 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 2c3h s ARG 81 Cb -0.16 0.02 0.00 0.00 -0.45 0.00 0.00 34.95 34.35 2c3h s ARG 81 CO 0.13 -0.03 0.00 -3.47 -0.68 0.00 0.00 175.30 171.25 2c3h n ASP 82 N 1.56 0.00 -3.79 0.23 4.64 -1.18 0.19 116.55 118.20 2c3h n ASP 82 Ca -0.24 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.08 2c3h n ASP 82 Cb 0.55 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.58 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 1.32 0.70 -0.67 -2.07 -1.26 -4.87 119.66 112.80 2c3h s GLN 83 Ca 0.00 -0.94 -0.16 0.00 -1.82 0.00 0.00 55.36 52.44 2c3h s GLN 83 Cb 0.00 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.36 2c3h s GLN 83 CO 0.00 -0.54 0.54 -0.25 -1.32 0.00 0.00 175.29 173.72 2c3h n ASP 84 N -0.31 -1.12 0.00 12.60 10.43 -1.26 -4.90 116.55 132.00 2c3h n ASP 84 Ca -0.09 0.62 0.00 0.00 2.57 0.00 0.00 54.79 57.88 2c3h n ASP 84 Cb 0.63 -1.22 0.00 0.00 1.84 0.00 0.00 41.12 42.37 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 1.65 0.00 3.21 0.44 0.00 -1.24 -4.70 105.19 104.55 2c3h n GLY 85 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 3.05 -0.21 1.61 0.52 0.17 0.19 118.94 124.27 2c3h s TRP 86 Ca 0.00 -1.50 0.02 0.00 0.02 0.00 0.00 56.10 54.64 2c3h s TRP 86 Cb 0.00 -2.06 0.04 0.00 -1.15 0.00 0.00 33.47 30.30 2c3h s TRP 86 CO 0.00 -0.72 -0.15 0.12 0.02 0.00 0.00 176.95 176.23 2c3h s PHE 87 N 1.34 2.84 -0.12 -1.98 5.36 0.18 0.90 117.98 126.50 2c3h s PHE 87 Ca 0.01 -1.84 0.16 0.00 -0.96 0.00 0.00 56.93 54.30 2c3h s PHE 87 Cb -0.16 -1.85 0.38 0.00 -0.34 0.00 0.00 43.02 41.04 2c3h s PHE 87 CO -0.05 -0.81 1.18 -0.40 -1.46 0.00 0.00 175.22 173.68 2c3h n ASP 88 N 4.58 1.41 0.00 6.13 3.85 -1.26 -1.44 116.55 129.82 2c3h n ASP 88 Ca -0.17 -3.04 0.00 0.00 -0.71 0.00 0.00 54.79 50.87 2c3h n ASP 88 Cb 0.47 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 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 -0.53 0.51 3.19 6.12 0.00 -1.26 -5.00 105.19 108.22 2c3h n GLY 89 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.01 0.03 1.61 0.41 -1.26 -5.16 118.70 115.34 2c3h s GLU 90 Ca 0.00 -1.48 -0.10 0.00 -0.41 0.00 0.00 54.97 52.97 2c3h s GLU 90 Cb 0.00 0.03 -0.05 0.00 -1.78 0.00 0.00 34.13 32.32 2c3h s GLU 90 CO 0.00 -0.21 0.36 -1.58 -0.49 0.00 0.00 175.26 173.34 2c3h s TRP 91 N -3.88 3.62 0.02 1.61 0.52 -1.26 -4.24 118.94 115.33 2c3h s TRP 91 Ca 0.24 0.78 -0.02 0.00 0.02 0.00 0.00 56.10 57.12 2c3h s TRP 91 Cb 0.07 -2.15 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 2c3h s TRP 91 CO 0.03 0.59 0.02 -1.01 0.02 0.00 0.00 176.95 176.59 2c3h s HIS 92 N -1.27 0.25 0.20 -1.98 3.76 0.26 -4.99 115.29 111.52 2c3h s HIS 92 Ca 0.28 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 2c3h s HIS 92 Cb -0.14 -0.19 0.13 0.00 1.11 0.00 0.00 32.58 33.49 2c3h s HIS 92 CO 0.15 -0.26 1.48 -0.39 -0.85 0.00 0.00 174.74 174.87 2c3h h VAL 93 N 4.23 1.41 -1.84 -0.90 -1.51 -1.85 0.51 116.25 116.30 2c3h h VAL 93 Ca -0.32 -2.19 -0.62 0.00 -1.23 0.00 0.00 66.70 62.34 2c3h h VAL 93 Cb 1.19 2.15 -0.13 0.00 -2.13 0.00 0.00 31.29 32.37 2c3h h VAL 93 CO 0.46 0.65 -0.65 -1.81 -1.23 0.00 0.00 177.57 174.99 2c3h s ASP 94 N -6.93 3.83 0.00 4.19 1.01 -1.26 -4.27 116.67 113.24 2c3h s ASP 94 Ca -0.04 -1.23 0.03 0.00 0.71 0.00 0.00 52.55 52.02 2c3h s ASP 94 Cb 0.11 -0.38 0.19 0.00 1.01 0.00 0.00 42.92 43.84 2c3h s ASP 94 CO 0.82 -0.29 0.67 -1.14 0.21 0.00 0.00 175.17 175.44