#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3g n HIS 2 N 0.00 0.00 -3.94 1.61 -0.00 -1.26 -5.19 115.22 106.45 2c3g n HIS 2 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 2c3g n HIS 2 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 2c3g n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2c3g s MET 3 N -5.19 1.69 -0.38 -0.41 0.00 -1.26 -5.12 119.30 108.63 2c3g s MET 3 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 55.69 54.23 2c3g s MET 3 Cb 0.00 0.53 0.01 0.00 0.00 0.00 0.00 34.83 35.37 2c3g s MET 3 CO 0.00 -0.74 1.32 0.00 0.00 0.00 0.00 175.02 175.60 2c3g s ALA 4 N -3.87 3.19 0.25 3.16 0.00 -1.26 -5.00 121.76 118.23 2c3g s ALA 4 Ca 0.18 -0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.13 2c3g s ALA 4 Cb -0.03 -3.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.17 2c3g s ALA 4 CO 0.09 -2.13 -0.19 -1.12 0.00 0.00 0.00 175.76 172.41 2c3g s SER 5 N 3.22 3.28 0.00 0.00 0.01 -1.26 -5.08 113.70 113.87 2c3g s SER 5 Ca 0.57 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2c3g s SER 5 Cb -0.14 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2c3g s SER 5 CO 0.29 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2c3g n GLY 6 N -0.44 -0.23 3.04 3.44 0.00 -1.26 -0.98 105.19 108.76 2c3g n GLY 6 Ca -0.07 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 2c3g n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c3g s LEU 7 N 0.00 3.11 -0.11 0.99 1.02 -0.01 -4.81 118.68 118.87 2c3g s LEU 7 Ca 0.00 -1.28 -0.18 0.00 0.02 0.00 0.00 54.13 52.69 2c3g s LEU 7 Cb 0.00 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.72 2c3g s LEU 7 CO 0.00 -0.19 0.46 -0.89 0.02 0.00 0.00 176.35 175.75 2c3g s THR 8 N 1.19 5.18 -0.06 5.49 2.01 -1.26 -0.93 115.64 127.27 2c3g s THR 8 Ca -0.07 0.92 0.03 0.00 0.31 0.00 0.00 61.69 62.88 2c3g s THR 8 Cb -0.19 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.53 2c3g s THR 8 CO -0.06 0.35 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.46 2c3g s ILE 9 N 0.51 1.17 -0.08 1.82 1.09 0.01 -3.89 121.20 121.82 2c3g s ILE 9 Ca 0.25 -0.51 0.02 0.00 -1.10 0.00 0.00 60.65 59.30 2c3g s ILE 9 Cb -0.15 -1.05 -0.02 0.00 -1.06 0.00 0.00 42.46 40.17 2c3g s ILE 9 CO 0.10 0.36 -0.12 -0.31 -0.10 0.00 0.00 174.94 174.87 2c3g s TYR 10 N 0.53 2.80 -0.11 3.97 2.02 0.70 -1.28 117.35 125.98 2c3g s TYR 10 Ca -0.12 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 2c3g s TYR 10 Cb -0.15 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 2c3g s TYR 10 CO 0.03 0.10 -0.18 0.12 -1.57 0.00 0.00 175.55 174.05 2c3g s PHE 11 N -0.39 2.22 -0.63 2.71 5.36 0.16 -0.55 117.98 126.87 2c3g s PHE 11 Ca 0.05 -1.03 -0.23 0.00 -0.96 0.00 0.00 56.93 54.76 2c3g s PHE 11 Cb -0.12 -1.55 0.07 0.00 -0.34 0.00 0.00 43.02 41.07 2c3g s PHE 11 CO 0.02 -0.49 0.94 0.21 -1.46 0.00 0.00 175.22 174.44 2c3g s LYS 12 N 0.81 3.14 0.06 10.12 2.20 -0.61 -0.41 119.74 135.05 2c3g s LYS 12 Ca -0.09 -0.75 -0.31 0.00 -0.36 0.00 0.00 55.97 54.46 2c3g s LYS 12 Cb -0.16 -4.19 -0.06 0.00 -1.51 0.00 0.00 37.83 31.91 2c3g s LYS 12 CO 0.00 -1.73 1.23 0.21 -0.36 0.00 0.00 175.35 174.70 2c3g s LYS 13 N 3.96 4.41 0.56 4.03 2.20 0.05 -4.84 119.74 130.10 2c3g s LYS 13 Ca 0.23 1.81 -0.21 0.00 -0.36 0.00 0.00 55.97 57.44 2c3g s LYS 13 Cb -0.16 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2c3g s LYS 13 CO 0.12 -0.30 1.29 -2.14 -0.36 0.00 0.00 175.35 173.96 2c3g s PRO 14 N 1.15 3.10 0.45 4.03 0.02 -1.26 -4.90 135.00 137.59 2c3g s PRO 14 Ca 0.59 2.06 0.24 0.00 0.02 0.00 0.00 61.00 63.91 2c3g s PRO 14 Cb -0.30 -2.14 1.01 0.00 0.02 0.00 0.00 34.50 33.09 2c3g s PRO 14 CO 0.29 -1.17 1.87 -0.44 -0.33 0.00 0.00 177.00 177.22 2c3g h ASP 15 N 1.28 0.00 1.00 2.53 3.45 -1.99 -2.03 116.42 120.65 2c3g h ASP 15 Ca -0.51 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.95 2c3g h ASP 15 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 2c3g h ASP 15 CO 0.57 0.22 0.00 0.77 -1.57 0.00 0.00 179.24 179.23 2c3g h SER 16 N 0.00 0.00 -3.91 6.45 4.64 -2.04 -3.46 113.55 115.23 2c3g h SER 16 Ca -0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.85 2c3g h SER 16 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 2c3g h SER 16 CO 0.03 0.00 0.29 0.26 -0.87 0.00 0.00 176.83 176.54 2c3g s TRP 17 N -3.27 3.48 0.00 4.77 0.52 -0.76 -5.08 118.94 118.60 2c3g s TRP 17 Ca 0.06 1.60 0.00 0.00 0.02 0.00 0.00 56.10 57.78 2c3g s TRP 17 Cb 0.10 -2.82 0.00 0.00 -1.15 0.00 0.00 33.47 29.61 2c3g s TRP 17 CO 0.47 0.07 0.00 0.41 0.02 0.00 0.00 176.95 177.92 2c3g n GLY 18 N -0.06 -0.68 3.61 0.98 0.00 -1.26 -4.95 105.19 102.84 2c3g n GLY 18 Ca 0.04 -1.73 -0.58 0.00 0.00 0.00 0.00 46.02 43.75 2c3g n GLY 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2c3g n THR 19 N -1.77 0.06 -2.88 2.61 -1.04 -1.26 -4.71 114.28 105.29 2c3g n THR 19 Ca 0.00 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 2c3g n THR 19 Cb 0.00 -0.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.86 2c3g n THR 19 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2c3g s PRO 20 N 1.37 4.61 0.14 -2.82 0.04 -1.26 -3.16 135.00 133.92 2c3g s PRO 20 Ca 0.93 1.25 0.08 0.00 0.04 0.00 0.00 61.00 63.30 2c3g s PRO 20 Cb -1.17 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.00 2c3g s PRO 20 CO 0.60 0.35 -0.19 -1.01 0.04 0.00 0.00 177.00 176.79 2c3g s HIS 21 N -0.41 1.79 -0.34 0.56 3.76 0.17 -0.53 115.29 120.30 2c3g s HIS 21 Ca 0.41 -0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 2c3g s HIS 21 Cb -0.23 -0.92 0.06 0.00 1.11 0.00 0.00 32.58 32.60 2c3g s HIS 21 CO 0.27 0.29 0.08 -1.17 -0.85 0.00 0.00 174.74 173.35 2c3g s LEU 22 N -2.43 4.31 -0.13 0.89 2.96 0.08 -2.20 118.68 122.17 2c3g s LEU 22 Ca 0.13 -1.37 -0.14 0.00 -0.22 0.00 0.00 54.13 52.53 2c3g s LEU 22 Cb -0.07 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2c3g s LEU 22 CO 0.06 -0.34 0.31 -0.47 -1.32 0.00 0.00 176.35 174.58 2c3g s TYR 23 N 1.28 3.52 -0.07 5.38 5.04 -0.39 -3.82 117.35 128.30 2c3g s TYR 23 Ca -0.01 0.67 -0.12 0.00 -2.44 0.00 0.00 57.07 55.17 2c3g s TYR 23 Cb -0.20 -2.30 0.02 0.00 0.35 0.00 0.00 41.96 39.83 2c3g s TYR 23 CO -0.00 0.36 0.29 1.52 -1.34 0.00 0.00 175.55 176.37 2c3g s TYR 24 N 0.06 -0.25 0.00 4.97 1.13 -1.26 -0.21 117.35 121.79 2c3g s TYR 24 Ca 0.18 0.54 0.00 0.00 -1.41 0.00 0.00 57.07 56.38 2c3g s TYR 24 Cb -0.14 0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.82 2c3g s TYR 24 CO 0.06 -0.25 0.00 2.48 -2.51 0.00 0.00 175.55 175.33 2c3g n TYR 25 N 2.21 -0.03 -0.43 -3.49 4.11 -0.41 -4.24 117.16 114.88 2c3g n TYR 25 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 2c3g n TYR 25 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.91 2c3g n TYR 25 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 2c3g n ASP 26 N -0.70 0.00 -4.79 9.48 5.75 -1.26 -2.30 116.55 122.73 2c3g n ASP 26 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.43 2c3g n ASP 26 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 2c3g n ASP 26 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2c3g s THR 27 N -0.25 3.66 -0.14 2.12 -4.23 -1.26 -4.12 115.64 111.42 2c3g s THR 27 Ca 0.00 1.09 -0.05 0.00 -1.18 0.00 0.00 61.69 61.55 2c3g s THR 27 Cb 0.00 -3.47 0.07 0.00 1.34 0.00 0.00 72.50 70.44 2c3g s THR 27 CO 0.00 -0.17 0.28 0.21 -0.54 0.00 0.00 174.62 174.39 2c3g s ASN 28 N -1.84 0.36 0.70 3.99 2.47 -0.68 -3.53 114.94 116.41 2c3g s ASN 28 Ca 0.66 0.57 -0.15 0.00 0.42 0.00 0.00 52.86 54.35 2c3g s ASN 28 Cb -0.19 0.75 0.02 0.00 -1.45 0.00 0.00 41.25 40.38 2c3g s ASN 28 CO 0.23 -0.25 1.19 -2.16 -3.72 0.00 0.00 177.10 172.39 2c3g s PRO 29 N 2.44 2.38 0.20 0.43 0.04 -1.26 -0.47 135.00 138.75 2c3g s PRO 29 Ca 0.02 1.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.44 2c3g s PRO 29 Cb -0.12 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 2c3g s PRO 29 CO -0.09 -1.64 1.45 0.21 0.04 0.00 0.00 177.00 176.98 2c3g s LYS 30 N -3.88 4.27 0.08 4.56 2.47 -1.23 -4.75 119.74 121.26 2c3g s LYS 30 Ca 0.73 2.25 -0.08 0.00 -1.56 0.00 0.00 55.97 57.32 2c3g s LYS 30 Cb -0.27 -3.16 -0.01 0.00 -1.46 0.00 0.00 37.83 32.94 2c3g s LYS 30 CO 0.43 -0.46 0.16 0.54 0.16 0.00 0.00 175.35 176.18 2c3g s VAL 31 N 0.53 0.15 -0.05 4.02 0.11 -1.26 -5.09 120.40 118.81 2c3g s VAL 31 Ca 0.63 -1.20 -0.38 0.00 -2.93 0.00 0.00 61.98 58.10 2c3g s VAL 31 Cb -0.41 -1.28 -0.16 0.00 -1.53 0.00 0.00 36.38 33.00 2c3g s VAL 31 CO 0.37 -0.66 1.53 0.47 -3.33 0.00 0.00 175.10 173.48 2c3g n ASP 32 N 0.10 2.11 -4.59 3.54 8.00 -1.26 -4.88 116.55 119.56 2c3g n ASP 32 Ca -0.16 1.09 -0.34 0.00 0.71 0.00 0.00 54.79 56.10 2c3g n ASP 32 Cb 0.62 -1.20 -0.11 0.00 -0.02 0.00 0.00 41.12 40.41 2c3g n ASP 32 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2c3g s GLU 33 N 1.82 2.93 0.56 -1.24 2.02 -1.26 -5.10 118.70 118.42 2c3g s GLU 33 Ca 0.90 -0.52 -0.18 0.00 0.02 0.00 0.00 54.97 55.19 2c3g s GLU 33 Cb -0.96 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 2c3g s GLU 33 CO 0.53 0.61 1.07 -1.25 0.02 0.00 0.00 175.26 176.24 2c3g s PRO 34 N -0.66 3.43 0.78 0.39 0.04 -1.26 -5.06 135.00 132.66 2c3g s PRO 34 Ca 0.10 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 2c3g s PRO 34 Cb -0.12 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.45 2c3g s PRO 34 CO 0.02 -0.74 1.17 0.99 0.04 0.00 0.00 177.00 178.48 2c3g s THR 35 N -2.18 2.42 0.42 1.26 2.01 -1.26 -4.81 115.64 113.50 2c3g s THR 35 Ca 0.67 0.18 0.11 0.00 0.31 0.00 0.00 61.69 62.95 2c3g s THR 35 Cb -0.18 -2.59 0.31 0.00 0.01 0.00 0.00 72.50 70.05 2c3g s THR 35 CO 0.30 -0.14 1.99 -0.25 -0.69 0.00 0.00 174.62 175.84 2c3g h TRP 36 N -0.79 0.51 0.00 4.92 2.91 -1.98 0.40 115.95 121.92 2c3g h TRP 36 Ca -0.46 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.57 2c3g h TRP 36 Cb 1.28 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.76 2c3g h TRP 36 CO 0.50 0.27 -1.19 -1.13 -1.03 0.00 0.00 178.44 175.86 2c3g n SER 37 N -4.48 0.58 -0.98 2.65 3.41 -1.26 -3.98 113.62 109.58 2c3g n SER 37 Ca 0.09 -0.32 0.10 0.00 -0.26 0.00 0.00 58.87 58.47 2c3g n SER 37 Cb 0.28 1.04 0.17 0.00 -0.26 0.00 0.00 64.21 65.44 2c3g n SER 37 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2c3g n GLU 38 N -1.93 2.26 -1.53 4.33 0.28 -1.01 -5.01 120.64 118.04 2c3g n GLU 38 Ca 0.01 -2.08 -0.51 0.00 -0.16 0.00 0.00 57.16 54.42 2c3g n GLU 38 Cb 0.44 -1.44 -0.05 0.00 1.43 0.00 0.00 31.44 31.82 2c3g n GLU 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2c3g n ALA 39 N 1.24 -1.88 -1.77 -1.84 0.00 0.10 -4.64 120.51 111.72 2c3g n ALA 39 Ca 0.16 0.49 -0.40 0.00 0.00 0.00 0.00 53.44 53.69 2c3g n ALA 39 Cb 0.54 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2c3g n ALA 39 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2c3g s PRO 40 N -0.39 3.98 0.39 0.00 0.02 -1.25 -4.68 135.00 133.07 2c3g s PRO 40 Ca 0.76 2.41 -0.28 0.00 0.02 0.00 0.00 61.00 63.92 2c3g s PRO 40 Cb -0.97 -2.85 -0.11 0.00 0.02 0.00 0.00 34.50 30.60 2c3g s PRO 40 CO 0.54 -0.58 1.45 -1.91 -0.33 0.00 0.00 177.00 176.18 2c3g n GLU 41 N 0.23 2.54 -3.00 5.54 2.13 -1.26 -0.74 120.64 126.08 2c3g n GLU 41 Ca 0.03 0.89 -0.43 0.00 0.66 0.00 0.00 57.16 58.30 2c3g n GLU 41 Cb 0.41 -2.62 -0.05 0.00 0.27 0.00 0.00 31.44 29.45 2c3g n GLU 41 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2c3g s MET 42 N -2.14 3.22 0.52 5.31 -1.94 0.31 -4.79 119.30 119.78 2c3g s MET 42 Ca 0.55 -0.61 -0.22 0.00 -1.71 0.00 0.00 55.69 53.70 2c3g s MET 42 Cb -0.48 -4.08 -0.07 0.00 2.01 0.00 0.00 34.83 32.20 2c3g s MET 42 CO 0.63 -1.37 1.10 -0.85 -0.01 0.00 0.00 175.02 174.52 2c3g n GLU 43 N 6.82 1.34 -2.13 2.03 0.28 -0.23 -4.37 120.64 124.38 2c3g n GLU 43 Ca -0.03 0.49 -0.41 0.00 -0.16 0.00 0.00 57.16 57.06 2c3g n GLU 43 Cb 0.46 -2.25 -0.02 0.00 1.43 0.00 0.00 31.44 31.06 2c3g n GLU 43 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2c3g s HIS 44 N -1.36 3.07 -0.05 -1.84 5.65 -1.26 -0.60 115.29 118.90 2c3g s HIS 44 Ca 0.69 1.42 -0.08 0.00 0.25 0.00 0.00 55.06 57.35 2c3g s HIS 44 Cb -0.47 -3.66 -0.03 0.00 -1.18 0.00 0.00 32.58 27.24 2c3g s HIS 44 CO 0.52 -1.81 -0.15 0.98 -0.65 0.00 0.00 174.74 173.62 2c3g n TYR 45 N 0.85 0.00 -3.65 3.88 9.36 -0.11 -4.80 117.16 122.70 2c3g n TYR 45 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 2c3g n TYR 45 Cb 0.42 -0.22 -0.06 0.00 -0.63 0.00 0.00 39.34 38.85 2c3g n TYR 45 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2c3g s GLU 46 N -2.18 0.06 7.64 2.98 2.12 -1.05 -5.03 118.70 123.24 2c3g s GLU 46 Ca -0.13 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.30 2c3g s GLU 46 Cb 0.02 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.42 2c3g s GLU 46 CO 0.19 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.31 2c3g n GLY 47 N 2.82 3.02 0.84 -1.50 0.00 -1.26 -0.98 105.19 108.13 2c3g n GLY 47 Ca -0.16 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.74 2c3g n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c3g n ASP 48 N 5.41 2.46 -4.73 1.61 8.00 -1.26 -4.91 116.55 123.13 2c3g n ASP 48 Ca 0.00 -1.96 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 2c3g n ASP 48 Cb 0.00 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 2c3g n ASP 48 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2c3g s TRP 49 N -1.43 3.81 0.18 1.24 0.52 -0.16 -0.77 118.94 122.33 2c3g s TRP 49 Ca 0.32 1.78 0.05 0.00 0.02 0.00 0.00 56.10 58.27 2c3g s TRP 49 Cb 0.17 -3.03 -0.05 0.00 -1.15 0.00 0.00 33.47 29.41 2c3g s TRP 49 CO 0.23 0.22 -0.10 0.71 0.02 0.00 0.00 176.95 178.03 2c3g s TYR 50 N -0.06 1.47 0.06 -1.98 2.02 0.45 -0.93 117.35 118.39 2c3g s TYR 50 Ca 0.46 -0.72 -0.15 0.00 -0.37 0.00 0.00 57.07 56.29 2c3g s TYR 50 Cb -0.23 -0.75 0.03 0.00 -0.40 0.00 0.00 41.96 40.61 2c3g s TYR 50 CO 0.29 0.16 0.35 -0.08 -1.57 0.00 0.00 175.55 174.71 2c3g s THR 51 N -3.21 0.07 -0.27 -0.71 -1.32 0.23 0.41 115.64 110.83 2c3g s THR 51 Ca 0.21 -0.62 -0.25 0.00 -1.21 0.00 0.00 61.69 59.82 2c3g s THR 51 Cb 0.02 -1.01 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 2c3g s THR 51 CO 0.04 -0.34 0.87 -2.28 -2.21 0.00 0.00 174.62 170.70 2c3g s HIS 52 N -2.85 -0.64 -0.24 9.09 5.04 -0.41 -1.06 115.29 124.22 2c3g s HIS 52 Ca -0.03 1.55 -0.06 0.00 -1.54 0.00 0.00 55.06 54.99 2c3g s HIS 52 Cb 0.00 0.32 -0.02 0.00 0.04 0.00 0.00 32.58 32.92 2c3g s HIS 52 CO -0.05 -0.31 0.02 0.99 -2.34 0.00 0.00 174.74 173.05 2c3g s THR 53 N 0.29 3.82 -0.46 0.89 2.01 -1.26 -0.81 115.64 120.13 2c3g s THR 53 Ca 0.01 -0.37 -0.25 0.00 0.31 0.00 0.00 61.69 61.39 2c3g s THR 53 Cb -0.05 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.71 2c3g s THR 53 CO -0.02 0.36 0.90 -0.63 -0.69 0.00 0.00 174.62 174.54 2c3g s ILE 54 N 1.54 4.50 0.38 1.82 1.01 -0.11 -4.94 121.20 125.40 2c3g s ILE 54 Ca 0.06 0.68 -0.25 0.00 0.00 0.00 0.00 60.65 61.14 2c3g s ILE 54 Cb -0.15 -4.42 -0.09 0.00 0.01 0.00 0.00 42.46 37.81 2c3g s ILE 54 CO 0.00 -0.83 1.04 -0.70 0.00 0.00 0.00 174.94 174.45 2c3g s GLU 55 N 3.69 4.27 0.00 2.79 2.12 -1.26 -0.83 118.70 129.48 2c3g s GLU 55 Ca 0.36 1.50 0.00 0.00 0.36 0.00 0.00 54.97 57.19 2c3g s GLU 55 Cb -0.10 -2.63 0.00 0.00 0.26 0.00 0.00 34.13 31.65 2c3g s GLU 55 CO 0.26 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 2c3g n GLY 56 N 0.43 1.98 3.83 -1.50 0.00 -0.15 -4.92 105.19 104.86 2c3g n GLY 56 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2c3g n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3g s VAL 57 N -3.09 5.18 -0.18 1.61 0.11 -1.26 -4.28 120.40 118.51 2c3g s VAL 57 Ca 0.00 0.66 0.19 0.00 -2.93 0.00 0.00 61.98 59.89 2c3g s VAL 57 Cb 0.00 -3.63 -0.26 0.00 -1.53 0.00 0.00 36.38 30.96 2c3g s VAL 57 CO 0.00 0.56 0.13 -0.62 -3.33 0.00 0.00 175.10 171.84 2c3g n GLU 58 N 2.12 0.69 -3.97 1.54 -0.58 0.38 -3.97 120.64 116.85 2c3g n GLU 58 Ca -0.15 -0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.48 2c3g n GLU 58 Cb 0.53 -1.52 -0.08 0.00 -0.57 0.00 0.00 31.44 29.79 2c3g n GLU 58 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2c3g s SER 59 N -5.36 0.27 0.19 1.62 1.04 -0.78 -2.85 113.70 107.83 2c3g s SER 59 Ca -0.10 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.29 2c3g s SER 59 Cb 0.07 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.53 2c3g s SER 59 CO 0.84 -0.68 0.65 0.54 0.98 0.00 0.00 173.24 175.57 2c3g s VAL 60 N -3.90 0.00 -0.11 5.02 0.11 0.61 -1.69 120.40 120.45 2c3g s VAL 60 Ca 0.07 -0.33 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 2c3g s VAL 60 Cb 0.06 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 2c3g s VAL 60 CO -0.10 0.00 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.31 2c3g s ARG 61 N -3.78 3.04 0.05 1.54 0.52 -0.97 -1.73 118.95 117.62 2c3g s ARG 61 Ca 0.05 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.40 2c3g s ARG 61 Cb -0.03 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 2c3g s ARG 61 CO -0.06 0.14 -0.08 -0.48 0.02 0.00 0.00 175.30 174.84 2c3g s LEU 62 N 0.44 2.29 0.04 2.53 0.05 0.14 -1.29 118.68 122.89 2c3g s LEU 62 Ca -0.16 -0.61 0.03 0.00 0.05 0.00 0.00 54.13 53.44 2c3g s LEU 62 Cb -0.17 -0.16 -0.02 0.00 -2.05 0.00 0.00 46.19 43.79 2c3g s LEU 62 CO 0.07 -0.24 -0.11 -0.76 -0.55 0.00 0.00 176.35 174.76 2c3g s LEU 63 N -1.77 2.22 0.18 1.48 1.02 0.71 0.10 118.68 122.63 2c3g s LEU 63 Ca -0.07 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.46 2c3g s LEU 63 Cb -0.08 -0.36 -0.07 0.00 0.02 0.00 0.00 46.19 45.70 2c3g s LEU 63 CO -0.00 -0.10 0.53 -0.36 0.02 0.00 0.00 176.35 176.45 2c3g s PHE 64 N -1.12 3.51 0.11 0.29 0.08 -0.73 -1.27 117.98 118.85 2c3g s PHE 64 Ca -0.04 0.94 -0.18 0.00 0.12 0.00 0.00 56.93 57.76 2c3g s PHE 64 Cb -0.09 -2.29 0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2c3g s PHE 64 CO 0.01 0.35 0.45 -1.59 -0.10 0.00 0.00 175.22 174.34 2c3g s LYS 65 N -2.40 1.07 0.38 0.44 -2.85 -0.93 -1.00 119.74 114.44 2c3g s LYS 65 Ca 0.42 -0.57 0.05 0.00 -1.00 0.00 0.00 55.97 54.88 2c3g s LYS 65 Cb -0.13 0.48 0.05 0.00 -2.06 0.00 0.00 37.83 36.17 2c3g s LYS 65 CO 0.20 -0.42 0.43 -0.40 0.10 0.00 0.00 175.35 175.27 2c3g n ASP 66 N -0.06 1.70 0.00 0.03 5.68 -0.93 0.45 116.55 123.42 2c3g n ASP 66 Ca -0.17 -2.11 0.14 0.00 -0.50 0.00 0.00 54.79 52.15 2c3g n ASP 66 Cb 0.63 -0.18 0.84 0.00 -1.14 0.00 0.00 41.12 41.26 2c3g n ASP 66 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2c3g n ARG 67 N -1.66 0.83 0.00 0.11 0.63 -1.19 -4.63 116.66 110.75 2c3g n ARG 67 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2c3g n ARG 67 Cb 0.41 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.82 2c3g n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2c3g n GLY 68 N 0.86 0.74 0.41 5.14 0.00 -1.26 -5.04 105.19 106.05 2c3g n GLY 68 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 2c3g n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c3g n THR 69 N 0.00 0.61 -2.70 2.61 -2.24 -1.26 -5.02 114.28 106.27 2c3g n THR 69 Ca 0.00 -0.80 -0.33 0.00 -2.27 0.00 0.00 64.05 60.65 2c3g n THR 69 Cb 0.00 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 2c3g n THR 69 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2c3g s ASN 70 N -0.87 6.80 0.11 3.42 -0.87 -1.26 -4.89 114.94 117.36 2c3g s ASN 70 Ca 0.14 1.70 -0.26 0.00 -1.57 0.00 0.00 52.86 52.87 2c3g s ASN 70 Cb 0.08 -2.54 0.08 0.00 -0.02 0.00 0.00 41.25 38.85 2c3g s ASN 70 CO 0.11 -0.46 0.81 0.00 -2.57 0.00 0.00 177.10 174.99 2c3g s GLN 71 N -3.35 1.13 -0.26 -0.60 -2.07 -1.26 -2.18 119.66 111.08 2c3g s GLN 71 Ca 0.62 -0.50 -0.04 0.00 -1.82 0.00 0.00 55.36 53.62 2c3g s GLN 71 Cb -0.10 0.47 0.14 0.00 -1.09 0.00 0.00 33.01 32.43 2c3g s GLN 71 CO 0.17 -0.51 0.48 -0.46 -1.32 0.00 0.00 175.29 173.66 2c3g s TRP 72 N -3.41 -1.10 0.73 9.60 -0.11 -0.17 -3.07 118.94 121.41 2c3g s TRP 72 Ca 0.06 1.39 -0.15 0.00 1.22 0.00 0.00 56.10 58.62 2c3g s TRP 72 Cb -0.02 0.32 0.04 0.00 -1.50 0.00 0.00 33.47 32.31 2c3g s TRP 72 CO -0.06 -0.71 1.23 -2.14 -4.62 0.00 0.00 176.95 170.65 2c3g s PRO 73 N 2.69 2.11 0.00 5.86 0.02 -1.26 -1.77 135.00 142.65 2c3g s PRO 73 Ca 0.10 1.84 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2c3g s PRO 73 Cb -0.14 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2c3g s PRO 73 CO -0.17 -1.88 0.00 0.41 -0.33 0.00 0.00 177.00 175.04 2c3g n GLY 74 N 0.56 -0.19 3.70 0.52 0.00 -1.17 -4.82 105.19 103.79 2c3g n GLY 74 Ca 0.14 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 2c3g n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c3g s PRO 75 N -0.18 4.15 0.00 1.61 0.04 -1.26 -1.58 135.00 137.78 2c3g s PRO 75 Ca 0.00 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2c3g s PRO 75 Cb 0.00 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2c3g s PRO 75 CO 0.00 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2c3g n GLY 76 N 4.05 0.40 3.88 0.56 0.00 -1.26 -5.08 105.19 107.74 2c3g n GLY 76 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2c3g n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3g s GLU 77 N -0.89 3.78 0.66 1.61 0.41 -0.62 -5.10 118.70 118.55 2c3g s GLU 77 Ca 0.00 0.25 -0.09 0.00 -0.41 0.00 0.00 54.97 54.72 2c3g s GLU 77 Cb 0.00 -2.65 0.02 0.00 -1.78 0.00 0.00 34.13 29.72 2c3g s GLU 77 CO 0.00 0.30 1.01 -1.25 -0.49 0.00 0.00 175.26 174.83 2c3g s PRO 78 N -2.90 2.83 1.02 0.39 0.04 -1.26 -4.94 135.00 130.19 2c3g s PRO 78 Ca 0.47 0.21 -0.14 0.00 0.04 0.00 0.00 61.00 61.58 2c3g s PRO 78 Cb -0.11 -2.14 0.12 0.00 0.04 0.00 0.00 34.50 32.41 2c3g s PRO 78 CO 0.22 -0.91 0.57 0.41 0.04 0.00 0.00 177.00 177.33 2c3g n GLY 79 N -2.82 -1.78 3.73 0.56 0.00 -1.26 -4.80 105.19 98.82 2c3g n GLY 79 Ca 0.06 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 2c3g n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c3g s PHE 80 N -2.41 3.70 -0.05 1.61 0.08 0.29 -4.64 117.98 116.55 2c3g s PHE 80 Ca 0.61 1.69 -0.22 0.00 0.12 0.00 0.00 56.93 59.13 2c3g s PHE 80 Cb -0.20 -3.15 -0.04 0.00 -0.57 0.00 0.00 43.02 39.06 2c3g s PHE 80 CO 0.65 -0.15 0.65 0.12 -0.10 0.00 0.00 175.22 176.39 2c3g s PHE 81 N 0.25 3.60 0.01 0.36 5.36 -1.26 0.25 117.98 126.55 2c3g s PHE 81 Ca 0.50 1.20 -0.20 0.00 -0.96 0.00 0.00 56.93 57.47 2c3g s PHE 81 Cb -0.25 -2.73 0.04 0.00 -0.34 0.00 0.00 43.02 39.75 2c3g s PHE 81 CO 0.30 0.17 0.45 1.03 -1.46 0.00 0.00 175.22 175.71 2c3g s ARG 82 N 0.49 0.88 0.00 10.12 1.81 -0.71 -4.97 118.95 126.58 2c3g s ARG 82 Ca 0.34 -0.17 0.00 0.00 -1.72 0.00 0.00 55.73 54.18 2c3g s ARG 82 Cb -0.18 0.40 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 2c3g s ARG 82 CO 0.17 -0.28 0.00 -3.47 -0.68 0.00 0.00 175.30 171.04 2c3g n ASP 83 N 0.81 0.00 -3.53 0.23 2.03 -1.13 0.23 116.55 115.18 2c3g n ASP 83 Ca -0.20 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.95 2c3g n ASP 83 Cb 0.58 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.92 2c3g n ASP 83 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2c3g s GLN 84 N 0.00 0.99 0.82 -0.67 0.74 -1.26 -4.85 119.66 115.42 2c3g s GLN 84 Ca 0.00 0.26 -0.11 0.00 0.05 0.00 0.00 55.36 55.56 2c3g s GLN 84 Cb 0.00 0.47 0.09 0.00 1.10 0.00 0.00 33.01 34.66 2c3g s GLN 84 CO 0.00 -0.30 1.13 -0.51 -0.55 0.00 0.00 175.29 175.05 2c3g s ASP 85 N -1.15 3.88 0.00 6.67 -0.00 -1.26 -4.88 116.67 119.93 2c3g s ASP 85 Ca -0.09 2.04 0.00 0.00 -0.00 0.00 0.00 52.55 54.50 2c3g s ASP 85 Cb -0.00 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.37 2c3g s ASP 85 CO 0.09 -2.46 0.00 0.61 -0.00 0.00 0.00 175.17 173.40 2c3g n GLY 86 N -0.41 0.00 3.17 0.21 0.00 -1.25 -4.65 105.19 102.26 2c3g n GLY 86 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2c3g n GLY 86 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2c3g s TRP 87 N 0.00 3.19 -0.26 1.61 0.52 0.03 0.25 118.94 124.28 2c3g s TRP 87 Ca 0.00 -1.79 -0.06 0.00 0.02 0.00 0.00 56.10 54.27 2c3g s TRP 87 Cb 0.00 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.24 2c3g s TRP 87 CO 0.00 -0.78 0.04 0.12 0.02 0.00 0.00 176.95 176.35 2c3g s PHE 88 N 1.27 3.08 -0.17 -1.98 5.36 0.29 -0.82 117.98 125.00 2c3g s PHE 88 Ca -0.04 -0.79 0.14 0.00 -0.96 0.00 0.00 56.93 55.29 2c3g s PHE 88 Cb -0.19 -2.21 0.37 0.00 -0.34 0.00 0.00 43.02 40.65 2c3g s PHE 88 CO -0.03 -0.50 1.19 -0.40 -1.46 0.00 0.00 175.22 174.03 2c3g n ASP 89 N 4.87 1.87 0.00 6.13 3.85 -1.26 -1.58 116.55 130.43 2c3g n ASP 89 Ca -0.16 -3.53 0.00 0.00 -0.71 0.00 0.00 54.79 50.39 2c3g n ASP 89 Cb 0.50 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 2c3g n ASP 89 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c3g n GLY 90 N -1.15 2.31 3.16 6.12 0.00 -1.26 -5.01 105.19 109.36 2c3g n GLY 90 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2c3g n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c3g s GLU 91 N -0.25 0.81 0.05 1.61 2.56 -1.26 -5.15 118.70 117.06 2c3g s GLU 91 Ca 0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 54.97 53.56 2c3g s GLU 91 Cb 0.00 -0.42 -0.05 0.00 2.00 0.00 0.00 34.13 35.65 2c3g s GLU 91 CO 0.00 0.05 0.78 -1.58 -0.56 0.00 0.00 175.26 173.96 2c3g s TRP 92 N -2.62 3.74 0.03 5.30 0.52 -1.26 -4.28 118.94 120.37 2c3g s TRP 92 Ca 0.05 1.50 0.05 0.00 0.02 0.00 0.00 56.10 57.72 2c3g s TRP 92 Cb -0.02 -2.84 -0.02 0.00 -1.15 0.00 0.00 33.47 29.44 2c3g s TRP 92 CO -0.01 0.26 -0.14 -1.01 0.02 0.00 0.00 176.95 176.08 2c3g s HIS 93 N -0.03 1.19 0.00 -1.98 3.76 0.00 -5.01 115.29 113.22 2c3g s HIS 93 Ca 0.39 -0.32 -0.21 0.00 -0.15 0.00 0.00 55.06 54.77 2c3g s HIS 93 Cb -0.21 -0.72 -0.21 0.00 1.11 0.00 0.00 32.58 32.56 2c3g s HIS 93 CO 0.23 0.02 1.15 -0.39 -0.85 0.00 0.00 174.74 174.90 2c3g h VAL 94 N 4.59 1.44 -2.23 -0.90 -1.51 -1.85 0.13 116.25 115.91 2c3g h VAL 94 Ca -0.37 -1.84 -0.50 0.00 -1.23 0.00 0.00 66.70 62.77 2c3g h VAL 94 Cb 1.18 2.44 -0.04 0.00 -2.13 0.00 0.00 31.29 32.73 2c3g h VAL 94 CO 0.45 0.53 -0.50 -1.81 -1.23 0.00 0.00 177.57 175.01 2c3g s ASP 95 N -6.48 5.72 -0.06 4.19 1.01 -1.26 -4.06 116.67 115.74 2c3g s ASP 95 Ca -0.14 -0.16 -0.39 0.00 0.71 0.00 0.00 52.55 52.57 2c3g s ASP 95 Cb 0.03 -1.52 -0.17 0.00 1.01 0.00 0.00 42.92 42.27 2c3g s ASP 95 CO 0.78 -0.04 1.39 -1.14 0.21 0.00 0.00 175.17 176.38 2c3g n ARG 96 N -1.18 0.82 -1.85 8.23 0.63 -1.26 -4.87 116.66 117.17 2c3g n ARG 96 Ca -0.08 0.30 -0.40 0.00 -0.92 0.00 0.00 57.85 56.75 2c3g n ARG 96 Cb 0.57 -1.91 0.01 0.00 0.45 0.00 0.00 32.46 31.59 2c3g n ARG 96 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2c3g s PRO 97 N 1.24 3.82 0.00 -0.14 0.02 -1.26 -5.15 135.00 133.53 2c3g s PRO 97 Ca 0.90 2.39 0.00 0.00 0.02 0.00 0.00 61.00 64.32 2c3g s PRO 97 Cb -1.09 -2.74 0.00 0.00 0.02 0.00 0.00 34.50 30.70 2c3g s PRO 97 CO 0.56 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.94