#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gmn s GLN 2 N 0.00 4.23 -0.06 9.51 -0.21 -1.26 -4.82 119.66 127.05 3gmn s GLN 2 Ca 0.00 1.28 0.05 0.00 0.02 0.00 0.00 55.36 56.71 3gmn s GLN 2 Cb 0.00 -2.38 -0.01 0.00 1.00 0.00 0.00 33.01 31.62 3gmn s GLN 2 CO 0.00 -0.04 -0.22 0.15 -2.12 0.00 0.00 175.29 173.06 3gmn s LYS 3 N -2.79 2.41 0.17 2.91 1.02 0.43 -4.92 119.74 118.97 3gmn s LYS 3 Ca 0.59 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 3gmn s LYS 3 Cb -0.15 -1.99 -0.07 0.00 -0.52 0.00 0.00 37.83 35.09 3gmn s LYS 3 CO 0.19 0.29 1.07 0.99 -0.92 0.00 0.00 175.35 176.98 3gmn s THR 4 N 0.03 3.96 0.47 2.17 2.01 -1.26 -1.63 115.64 121.39 3gmn s THR 4 Ca -0.07 1.69 -0.24 0.00 0.31 0.00 0.00 61.69 63.39 3gmn s THR 4 Cb -0.14 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 3gmn s THR 4 CO 0.04 0.29 1.28 -2.16 -0.69 0.00 0.00 174.62 173.38 3gmn s PRO 5 N -0.35 3.63 -0.03 4.92 0.04 -1.26 -4.42 135.00 137.53 3gmn s PRO 5 Ca 0.49 2.06 -0.01 0.00 0.04 0.00 0.00 61.00 63.58 3gmn s PRO 5 Cb -0.28 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 3gmn s PRO 5 CO 0.34 -0.74 0.05 -1.14 0.04 0.00 0.00 177.00 175.55 3gmn s GLN 6 N -2.61 3.00 -0.06 4.56 0.74 0.22 -4.93 119.66 120.58 3gmn s GLN 6 Ca 0.64 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 55.58 3gmn s GLN 6 Cb -0.36 -2.82 0.02 0.00 1.10 0.00 0.00 33.01 30.95 3gmn s GLN 6 CO 0.44 0.66 -0.08 0.42 -0.55 0.00 0.00 175.29 176.18 3gmn s ILE 7 N -1.09 0.86 -0.05 -2.34 1.01 -1.26 -1.06 121.20 117.27 3gmn s ILE 7 Ca 0.20 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.59 3gmn s ILE 7 Cb -0.12 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.53 3gmn s ILE 7 CO 0.10 0.30 -0.14 -1.10 0.00 0.00 0.00 174.94 174.10 3gmn s GLN 8 N 0.93 1.61 -0.08 2.79 -0.21 -0.62 -4.98 119.66 119.11 3gmn s GLN 8 Ca -0.10 -0.49 0.03 0.00 0.02 0.00 0.00 55.36 54.82 3gmn s GLN 8 Cb -0.15 -1.38 0.01 0.00 1.00 0.00 0.00 33.01 32.49 3gmn s GLN 8 CO 0.01 0.14 -0.16 0.08 -2.12 0.00 0.00 175.29 173.24 3gmn s VAL 9 N 0.28 1.46 0.10 1.09 1.01 -1.26 -0.41 120.40 122.67 3gmn s VAL 9 Ca -0.07 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 3gmn s VAL 9 Cb -0.12 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 35.02 3gmn s VAL 9 CO 0.02 0.43 0.63 -0.72 0.00 0.00 0.00 175.10 175.46 3gmn s TYR 10 N 0.61 -0.58 0.24 5.22 1.13 -0.80 -4.72 117.35 118.46 3gmn s TYR 10 Ca -0.15 0.57 -0.06 0.00 -1.41 0.00 0.00 57.07 56.02 3gmn s TYR 10 Cb -0.16 0.51 -0.06 0.00 -1.10 0.00 0.00 41.96 41.15 3gmn s TYR 10 CO 0.05 -0.78 0.51 -1.12 -2.51 0.00 0.00 175.55 171.70 3gmn s SER 11 N -2.27 6.51 0.09 -0.18 0.01 0.92 -0.73 113.70 118.05 3gmn s SER 11 Ca -0.03 0.75 -0.11 0.00 1.31 0.00 0.00 55.95 57.87 3gmn s SER 11 Cb -0.01 -2.16 -0.18 0.00 0.21 0.00 0.00 66.02 63.88 3gmn s SER 11 CO -0.06 -0.10 1.24 -0.09 0.41 0.00 0.00 173.24 174.63 3gmn h ARG 12 N 2.20 0.63 -5.76 12.44 9.65 -1.27 -3.47 114.38 128.80 3gmn h ARG 12 Ca -0.47 -0.66 -0.56 0.00 -1.10 0.00 0.00 59.98 57.19 3gmn h ARG 12 Cb 1.18 0.18 -0.14 0.00 -1.39 0.00 0.00 29.97 29.80 3gmn h ARG 12 CO 0.68 1.26 -0.68 -1.01 2.80 0.00 0.00 179.97 183.02 3gmn s HIS 13 N -3.35 2.20 0.17 2.20 3.76 -1.26 -5.03 115.29 113.98 3gmn s HIS 13 Ca -0.09 -0.58 -0.33 0.00 -0.15 0.00 0.00 55.06 53.91 3gmn s HIS 13 Cb 0.08 -1.24 -0.14 0.00 1.11 0.00 0.00 32.58 32.39 3gmn s HIS 13 CO 0.91 0.46 1.56 -2.30 -0.85 0.00 0.00 174.74 174.52 3gmn n PRO 14 N -0.69 2.16 -2.37 8.40 -0.02 -1.26 -4.85 135.00 136.36 3gmn n PRO 14 Ca -0.05 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3gmn n PRO 14 Cb 0.63 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3gmn n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gmn s PRO 15 N 0.73 4.35 -0.06 0.52 0.05 -1.26 -4.98 135.00 134.35 3gmn s PRO 15 Ca 0.77 1.80 0.01 0.00 0.05 0.00 0.00 61.00 63.62 3gmn s PRO 15 Cb -0.67 -3.51 0.02 0.00 0.05 0.00 0.00 34.50 30.40 3gmn s PRO 15 CO 0.39 -0.44 -0.05 -2.00 0.05 0.00 0.00 177.00 174.95 3gmn s GLU 16 N 1.98 1.00 0.34 4.56 2.12 -1.26 -5.10 118.70 122.34 3gmn s GLU 16 Ca 0.59 -0.13 -0.29 0.00 0.36 0.00 0.00 54.97 55.50 3gmn s GLU 16 Cb -0.28 -1.03 -0.11 0.00 0.26 0.00 0.00 34.13 32.97 3gmn s GLU 16 CO 0.25 -0.12 1.43 -0.80 -0.54 0.00 0.00 175.26 175.47 3gmn s ASN 17 N 1.14 6.54 0.00 -1.70 0.01 -1.26 -1.87 114.94 117.80 3gmn s ASN 17 Ca -0.07 2.87 0.00 0.00 -0.71 0.00 0.00 52.86 54.94 3gmn s ASN 17 Cb -0.14 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.87 3gmn s ASN 17 CO -0.01 -0.73 0.00 0.61 -1.51 0.00 0.00 177.10 175.45 3gmn n GLY 18 N 0.94 1.88 3.47 0.66 0.00 0.99 -4.97 105.19 108.15 3gmn n GLY 18 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3gmn n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gmn s LYS 19 N -0.23 3.69 0.43 1.61 2.20 -0.78 -4.98 119.74 121.68 3gmn s LYS 19 Ca 0.00 -0.46 -0.25 0.00 -0.36 0.00 0.00 55.97 54.90 3gmn s LYS 19 Cb 0.00 -3.30 -0.10 0.00 -1.51 0.00 0.00 37.83 32.92 3gmn s LYS 19 CO 0.00 -0.13 1.23 -2.30 -0.36 0.00 0.00 175.35 173.80 3gmn n PRO 20 N 4.73 1.82 -1.15 4.03 -0.02 -1.26 -4.27 135.00 138.87 3gmn n PRO 20 Ca -0.16 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3gmn n PRO 20 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3gmn n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3gmn n ASN 21 N 0.18 0.00 -3.95 2.55 2.85 0.13 -4.98 115.26 112.03 3gmn n ASN 21 Ca 0.07 -0.86 -0.21 0.00 -0.11 0.00 0.00 54.58 53.46 3gmn n ASN 21 Cb 0.40 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.26 3gmn n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3gmn s ILE 22 N -2.62 0.77 -0.14 -1.44 1.01 -1.26 -1.29 121.20 116.22 3gmn s ILE 22 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 3gmn s ILE 22 Cb 0.00 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 3gmn s ILE 22 CO 0.00 0.27 -0.00 -0.22 0.00 0.00 0.00 174.94 174.98 3gmn s LEU 23 N 0.73 3.47 -0.03 2.97 2.96 0.39 -0.79 118.68 128.38 3gmn s LEU 23 Ca -0.12 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3gmn s LEU 23 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3gmn s LEU 23 CO 0.02 0.23 0.06 0.20 -1.32 0.00 0.00 176.35 175.53 3gmn s ASN 24 N 0.01 5.56 -0.20 3.68 0.01 0.09 -1.28 114.94 122.81 3gmn s ASN 24 Ca 0.02 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 3gmn s ASN 24 Cb -0.13 -1.58 0.05 0.00 0.41 0.00 0.00 41.25 40.00 3gmn s ASN 24 CO 0.02 0.30 -0.07 0.00 -1.51 0.00 0.00 177.10 175.85 3gmn s TYR 26 N 1.48 3.09 -0.16 0.00 5.04 0.45 -0.84 117.35 126.41 3gmn s TYR 26 Ca -0.02 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 3gmn s TYR 26 Cb -0.17 -2.09 0.01 0.00 0.35 0.00 0.00 41.96 40.06 3gmn s TYR 26 CO -0.07 -0.14 -0.19 0.08 -1.34 0.00 0.00 175.55 173.88 3gmn s VAL 27 N 0.86 2.23 0.22 3.14 1.01 -0.24 -1.59 120.40 126.04 3gmn s VAL 27 Ca 0.02 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3gmn s VAL 27 Cb -0.14 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3gmn s VAL 27 CO 0.02 0.53 0.08 0.42 0.00 0.00 0.00 175.10 176.16 3gmn s THR 28 N 1.00 0.43 -1.06 3.92 -4.23 -0.22 -1.06 115.64 114.43 3gmn s THR 28 Ca -0.02 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3gmn s THR 28 Cb -0.15 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3gmn s THR 28 CO -0.05 -0.14 0.00 0.00 -0.54 0.00 0.00 174.62 173.89 3gmn n GLN 29 N -0.35 -0.83 -4.08 3.99 1.13 -0.79 -0.61 117.38 115.85 3gmn n GLN 29 Ca -0.01 0.71 -0.28 0.00 -1.94 0.00 0.00 57.00 55.47 3gmn n GLN 29 Cb 0.65 -4.75 -0.06 0.00 0.11 0.00 0.00 30.24 26.19 3gmn n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3gmn s PHE 30 N -2.48 3.14 -0.25 1.08 -0.71 -1.20 -4.15 117.98 113.41 3gmn s PHE 30 Ca 0.00 0.02 -0.21 0.00 -1.04 0.00 0.00 56.93 55.70 3gmn s PHE 30 Cb 0.00 -1.56 0.07 0.00 -1.21 0.00 0.00 43.02 40.32 3gmn s PHE 30 CO 0.00 0.52 0.65 -1.58 -1.34 0.00 0.00 175.22 173.47 3gmn s HIS 31 N -1.56 -0.79 0.96 3.49 2.46 -0.65 -1.78 115.29 117.42 3gmn s HIS 31 Ca 0.30 1.82 -0.14 0.00 0.47 0.00 0.00 55.06 57.50 3gmn s HIS 31 Cb -0.11 0.32 0.17 0.00 -0.13 0.00 0.00 32.58 32.83 3gmn s HIS 31 CO 0.22 -0.38 1.19 -1.25 -2.47 0.00 0.00 174.74 172.05 3gmn s PRO 32 N 0.65 0.75 0.35 2.88 0.04 -1.26 -0.43 135.00 137.98 3gmn s PRO 32 Ca -0.02 -0.00 0.27 0.00 0.04 0.00 0.00 61.00 61.28 3gmn s PRO 32 Cb -0.05 -1.82 0.94 0.00 0.04 0.00 0.00 34.50 33.61 3gmn s PRO 32 CO -0.04 -2.40 1.78 -1.00 0.04 0.00 0.00 177.00 175.38 3gmn h PRO 33 N -1.64 0.00 -6.44 0.56 0.13 -2.00 -3.44 132.00 119.17 3gmn h PRO 33 Ca -0.47 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 3gmn h PRO 33 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 3gmn h PRO 33 CO 0.51 0.00 0.93 -1.58 -0.23 0.00 0.00 178.00 177.63 3gmn s HIS 34 N -3.34 2.63 0.08 1.56 2.46 -1.26 -4.96 115.29 112.45 3gmn s HIS 34 Ca 0.05 0.52 -0.20 0.00 0.47 0.00 0.00 55.06 55.90 3gmn s HIS 34 Cb 0.09 -3.85 0.05 0.00 -0.13 0.00 0.00 32.58 28.74 3gmn s HIS 34 CO 0.52 -3.32 0.49 -1.50 -2.47 0.00 0.00 174.74 168.46 3gmn s ILE 35 N 2.43 0.04 -0.12 0.89 2.07 -1.26 -4.62 121.20 120.62 3gmn s ILE 35 Ca 0.70 -0.33 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 3gmn s ILE 35 Cb -0.37 -1.02 0.02 0.00 0.13 0.00 0.00 42.46 41.22 3gmn s ILE 35 CO 0.30 -0.18 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.44 3gmn s GLU 36 N -2.96 1.85 -0.11 3.50 2.02 -0.52 -5.00 118.70 117.48 3gmn s GLU 36 Ca -0.02 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.62 3gmn s GLU 36 Cb -0.00 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.45 3gmn s GLU 36 CO -0.06 -0.24 -0.22 0.42 0.02 0.00 0.00 175.26 175.18 3gmn s ILE 37 N 1.55 1.97 0.13 -1.63 1.01 -1.26 -0.63 121.20 122.34 3gmn s ILE 37 Ca 0.04 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.83 3gmn s ILE 37 Cb -0.13 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3gmn s ILE 37 CO -0.08 0.54 -0.23 -1.10 0.00 0.00 0.00 174.94 174.07 3gmn s GLN 38 N 0.50 1.27 -0.01 2.79 -0.21 0.44 -4.99 119.66 119.45 3gmn s GLN 38 Ca -0.15 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 53.95 3gmn s GLN 38 Cb -0.17 -1.60 -0.03 0.00 1.00 0.00 0.00 33.01 32.21 3gmn s GLN 38 CO 0.06 0.37 -0.01 -1.64 -2.12 0.00 0.00 175.29 171.94 3gmn s MET 39 N -2.14 2.77 -0.01 2.91 -1.94 -1.26 -0.55 119.30 119.08 3gmn s MET 39 Ca 0.11 -0.61 0.06 0.00 -1.71 0.00 0.00 55.69 53.55 3gmn s MET 39 Cb -0.09 -2.65 -0.02 0.00 2.01 0.00 0.00 34.83 34.08 3gmn s MET 39 CO 0.06 0.63 -0.19 -0.51 -0.01 0.00 0.00 175.02 175.00 3gmn s LEU 40 N -1.44 2.05 -0.13 -0.03 1.43 0.73 -0.67 118.68 120.62 3gmn s LEU 40 Ca 0.18 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3gmn s LEU 40 Cb -0.11 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.16 3gmn s LEU 40 CO 0.09 0.22 -0.16 -0.75 0.23 0.00 0.00 176.35 175.98 3gmn s LYS 41 N -0.52 2.34 -1.70 1.70 2.20 0.31 -1.30 119.74 122.77 3gmn s LYS 41 Ca 0.07 -0.59 -0.14 0.00 -0.36 0.00 0.00 55.97 54.95 3gmn s LYS 41 Cb -0.07 -2.03 0.13 0.00 -1.51 0.00 0.00 37.83 34.34 3gmn s LYS 41 CO -0.00 -0.13 0.46 0.09 -0.36 0.00 0.00 175.35 175.41 3gmn n ASN 42 N 4.42 -1.26 0.00 1.43 3.02 -0.50 -1.36 115.26 121.01 3gmn n ASN 42 Ca -0.18 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 3gmn n ASN 42 Cb 0.51 -2.03 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 3gmn n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gmn n GLY 43 N -1.65 0.99 3.65 7.41 0.00 -1.26 -5.01 105.19 109.31 3gmn n GLY 43 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3gmn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gmn s LYS 44 N -0.22 2.79 0.16 1.61 1.02 -0.46 -5.01 119.74 119.63 3gmn s LYS 44 Ca 0.00 -0.56 -0.31 0.00 0.02 0.00 0.00 55.97 55.11 3gmn s LYS 44 Cb 0.00 -2.66 -0.11 0.00 -0.52 0.00 0.00 37.83 34.54 3gmn s LYS 44 CO 0.00 0.65 1.73 0.21 -0.92 0.00 0.00 175.35 177.01 3gmn s LYS 45 N -1.24 4.15 -0.08 1.68 2.20 -1.26 -0.53 119.74 124.66 3gmn s LYS 45 Ca 0.16 2.54 -0.22 0.00 -0.36 0.00 0.00 55.97 58.09 3gmn s LYS 45 Cb -0.11 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 3gmn s LYS 45 CO 0.06 -0.76 0.64 0.42 -0.36 0.00 0.00 175.35 175.36 3gmn s ILE 46 N 1.84 5.08 0.09 5.43 1.01 0.16 -4.86 121.20 129.95 3gmn s ILE 46 Ca 0.76 1.31 -0.05 0.00 0.00 0.00 0.00 60.65 62.67 3gmn s ILE 46 Cb -0.46 -3.98 -0.25 0.00 0.01 0.00 0.00 42.46 37.77 3gmn s ILE 46 CO 0.33 0.27 1.19 1.55 0.00 0.00 0.00 174.94 178.28 3gmn h PRO 47 N 6.77 0.35 -0.40 2.79 0.13 -1.93 -3.36 132.00 136.35 3gmn h PRO 47 Ca -0.41 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 3gmn h PRO 47 Cb 1.19 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3gmn h PRO 47 CO 0.76 1.20 0.00 1.63 -0.23 0.00 0.00 178.00 181.35 3gmn n LYS 48 N -3.63 1.46 -1.74 0.86 4.01 -1.26 -4.97 118.16 112.89 3gmn n LYS 48 Ca -0.09 -0.53 -0.42 0.00 -0.51 0.00 0.00 58.31 56.76 3gmn n LYS 48 Cb 0.96 -1.29 -0.01 0.00 -0.51 0.00 0.00 35.03 34.18 3gmn n LYS 48 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3gmn n VAL 49 N -0.02 1.37 -4.16 -0.18 0.31 -1.26 -4.97 118.33 109.42 3gmn n VAL 49 Ca 0.05 -0.34 -0.33 0.00 -0.01 0.00 0.00 64.34 63.71 3gmn n VAL 49 Cb 0.22 -1.86 -0.08 0.00 -0.91 0.00 0.00 33.84 31.21 3gmn n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3gmn s GLU 50 N -1.06 2.97 0.03 5.55 0.41 -0.40 -4.92 118.70 121.29 3gmn s GLU 50 Ca 0.61 -0.53 0.09 0.00 -0.41 0.00 0.00 54.97 54.72 3gmn s GLU 50 Cb -0.52 -2.80 -0.03 0.00 -1.78 0.00 0.00 34.13 29.01 3gmn s GLU 50 CO 0.54 0.64 -0.25 -1.64 -0.49 0.00 0.00 175.26 174.06 3gmn s MET 51 N -1.69 1.72 0.96 1.61 -1.94 -1.26 -1.09 119.30 117.62 3gmn s MET 51 Ca 0.22 -1.03 -0.12 0.00 -1.71 0.00 0.00 55.69 53.05 3gmn s MET 51 Cb -0.12 -1.85 0.17 0.00 2.01 0.00 0.00 34.83 35.04 3gmn s MET 51 CO 0.13 0.48 1.09 -1.54 -0.01 0.00 0.00 175.02 175.17 3gmn s SER 52 N -1.12 2.89 0.35 3.03 1.04 0.48 -5.00 113.70 115.38 3gmn s SER 52 Ca 0.10 1.34 -0.28 0.00 0.48 0.00 0.00 55.95 57.59 3gmn s SER 52 Cb -0.10 -2.01 -0.10 0.00 0.10 0.00 0.00 66.02 63.91 3gmn s SER 52 CO 0.02 -2.98 1.29 -1.81 0.98 0.00 0.00 173.24 170.73 3gmn s ASP 53 N -3.39 6.68 0.58 7.02 1.01 -1.26 -4.71 116.67 122.60 3gmn s ASP 53 Ca 0.65 2.64 -0.20 0.00 0.71 0.00 0.00 52.55 56.35 3gmn s ASP 53 Cb -0.19 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.06 3gmn s ASP 53 CO 0.58 -0.59 1.26 -0.32 0.21 0.00 0.00 175.17 176.31 3gmn s MET 54 N -1.91 2.99 0.33 8.23 1.75 -1.26 -4.81 119.30 124.62 3gmn s MET 54 Ca 0.51 1.98 -0.04 0.00 -1.25 0.00 0.00 55.69 56.89 3gmn s MET 54 Cb -0.38 -2.04 0.02 0.00 2.84 0.00 0.00 34.83 35.27 3gmn s MET 54 CO 0.50 -1.23 0.50 0.45 -0.65 0.00 0.00 175.02 174.59 3gmn n SER 55 N -1.41 -1.42 -3.85 1.11 2.88 -0.92 -5.01 113.62 104.99 3gmn n SER 55 Ca 0.13 -2.67 -0.10 0.00 -1.33 0.00 0.00 58.87 54.90 3gmn n SER 55 Cb 0.48 2.56 -0.08 0.00 -0.75 0.00 0.00 64.21 66.42 3gmn n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3gmn s PHE 56 N -3.05 0.09 0.66 0.66 -0.12 -1.26 -1.16 117.98 113.80 3gmn s PHE 56 Ca 0.24 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.73 3gmn s PHE 56 Cb -0.02 -0.04 0.09 0.00 -0.63 0.00 0.00 43.02 42.43 3gmn s PHE 56 CO 0.17 -0.48 0.91 -1.12 -0.05 0.00 0.00 175.22 174.66 3gmn s SER 57 N -2.40 4.70 0.37 1.98 0.01 -0.31 -4.94 113.70 113.12 3gmn s SER 57 Ca -0.01 -0.27 0.15 0.00 1.31 0.00 0.00 55.95 57.13 3gmn s SER 57 Cb 0.01 -0.28 1.02 0.00 0.21 0.00 0.00 66.02 66.98 3gmn s SER 57 CO -0.07 -1.59 1.76 0.50 0.41 0.00 0.00 173.24 174.25 3gmn h LYS 58 N -0.29 0.46 -0.25 12.44 1.63 -2.02 0.11 116.57 128.64 3gmn h LYS 58 Ca -0.38 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 3gmn h LYS 58 Cb 1.28 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 3gmn h LYS 58 CO 0.44 0.30 0.00 -0.40 -3.45 0.00 0.00 179.45 176.35 3gmn n ASP 59 N -4.70 0.94 0.00 4.20 5.68 -1.26 -4.88 116.55 116.53 3gmn n ASP 59 Ca 0.25 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 3gmn n ASP 59 Cb 0.82 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 3gmn n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3gmn n TRP 60 N -0.04 0.00 -2.58 2.11 7.02 0.37 -5.03 117.44 119.28 3gmn n TRP 60 Ca 0.05 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.20 3gmn n TRP 60 Cb 0.17 -0.15 -0.05 0.00 -2.42 0.00 0.00 31.31 28.86 3gmn n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3gmn s SER 61 N -3.37 6.67 0.48 -0.99 1.04 -1.26 -4.67 113.70 111.59 3gmn s SER 61 Ca 0.00 1.69 -0.09 0.00 0.48 0.00 0.00 55.95 58.03 3gmn s SER 61 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 3gmn s SER 61 CO 0.00 -0.55 0.84 -0.36 0.98 0.00 0.00 173.24 174.15 3gmn s PHE 62 N -2.32 3.53 0.07 5.02 0.40 -0.73 -1.16 117.98 122.78 3gmn s PHE 62 Ca 0.62 1.04 -0.10 0.00 -0.60 0.00 0.00 56.93 57.89 3gmn s PHE 62 Cb -0.11 -2.47 0.00 0.00 0.51 0.00 0.00 43.02 40.96 3gmn s PHE 62 CO 0.22 -0.29 0.21 1.52 0.70 0.00 0.00 175.22 177.58 3gmn s TYR 63 N -2.67 0.08 0.03 0.36 -0.85 -0.31 -1.88 117.35 112.11 3gmn s TYR 63 Ca 0.51 -0.42 -0.20 0.00 -0.52 0.00 0.00 57.07 56.45 3gmn s TYR 63 Cb -0.10 -0.02 0.04 0.00 0.38 0.00 0.00 41.96 42.26 3gmn s TYR 63 CO 0.40 -0.52 0.45 -1.50 -1.52 0.00 0.00 175.55 172.87 3gmn s ILE 64 N -3.36 0.04 -0.11 -3.49 2.07 -0.22 -2.17 121.20 113.96 3gmn s ILE 64 Ca 0.01 -0.36 0.03 0.00 -1.41 0.00 0.00 60.65 58.92 3gmn s ILE 64 Cb 0.02 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.70 3gmn s ILE 64 CO -0.08 -0.20 -0.22 -0.22 -1.91 0.00 0.00 174.94 172.31 3gmn s LEU 65 N -1.83 2.05 0.12 8.50 2.96 -1.26 -1.08 118.68 128.14 3gmn s LEU 65 Ca -0.07 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.35 3gmn s LEU 65 Cb -0.01 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 3gmn s LEU 65 CO -0.00 0.12 0.00 0.00 -1.32 0.00 0.00 176.35 175.15 3gmn s ALA 66 N 0.55 3.27 0.06 5.97 0.00 -0.02 -0.38 121.76 131.20 3gmn s ALA 66 Ca -0.14 -1.19 -0.21 0.00 0.00 0.00 0.00 51.96 50.42 3gmn s ALA 66 Cb -0.17 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 21.86 3gmn s ALA 66 CO 0.05 0.63 0.48 -3.38 0.00 0.00 0.00 175.76 173.54 3gmn s HIS 67 N -1.44 -0.37 -0.02 0.00 -3.43 -0.25 -0.62 115.29 109.16 3gmn s HIS 67 Ca 0.26 0.35 -0.12 0.00 -0.80 0.00 0.00 55.06 54.75 3gmn s HIS 67 Cb -0.11 0.31 0.02 0.00 -1.43 0.00 0.00 32.58 31.37 3gmn s HIS 67 CO 0.19 -0.64 0.26 -0.08 -2.00 0.00 0.00 174.74 172.47 3gmn s THR 68 N -2.62 0.06 0.49 -5.38 -1.32 -0.41 -1.28 115.64 105.19 3gmn s THR 68 Ca -0.04 -0.47 -0.23 0.00 -1.21 0.00 0.00 61.69 59.74 3gmn s THR 68 Cb -0.00 -0.53 -0.06 0.00 -1.51 0.00 0.00 72.50 70.39 3gmn s THR 68 CO -0.03 -0.26 1.29 -1.61 -2.21 0.00 0.00 174.62 171.80 3gmn s GLU 69 N -1.15 3.49 0.09 7.08 2.02 -1.26 -0.47 118.70 128.50 3gmn s GLU 69 Ca -0.12 2.09 -0.22 0.00 0.02 0.00 0.00 54.97 56.74 3gmn s GLU 69 Cb -0.05 -2.40 0.05 0.00 0.10 0.00 0.00 34.13 31.83 3gmn s GLU 69 CO 0.03 -0.87 0.53 -0.59 0.02 0.00 0.00 175.26 174.38 3gmn s PHE 70 N -1.37 -0.42 -0.24 1.61 -0.71 -0.41 -4.81 117.98 111.62 3gmn s PHE 70 Ca 0.66 0.35 0.02 0.00 -1.04 0.00 0.00 56.93 56.92 3gmn s PHE 70 Cb -0.37 0.39 0.06 0.00 -1.21 0.00 0.00 43.02 41.89 3gmn s PHE 70 CO 0.44 -0.71 -0.07 0.99 -1.34 0.00 0.00 175.22 174.53 3gmn s THR 71 N -3.01 1.75 0.48 -4.49 2.01 -1.26 0.19 115.64 111.32 3gmn s THR 71 Ca -0.02 -1.38 -0.22 0.00 0.31 0.00 0.00 61.69 60.38 3gmn s THR 71 Cb -0.00 -1.97 -0.07 0.00 0.01 0.00 0.00 72.50 70.47 3gmn s THR 71 CO -0.06 -0.09 1.12 -2.84 -0.69 0.00 0.00 174.62 172.06 3gmn s PRO 72 N 1.29 3.67 0.27 4.92 0.02 -1.26 -4.79 135.00 139.12 3gmn s PRO 72 Ca -0.07 1.64 -0.13 0.00 0.02 0.00 0.00 61.00 62.46 3gmn s PRO 72 Cb -0.19 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.09 3gmn s PRO 72 CO -0.06 -0.59 0.53 0.95 -0.33 0.00 0.00 177.00 177.50 3gmn s THR 73 N -1.69 0.00 -0.49 0.99 -4.23 -1.26 -0.01 115.64 108.95 3gmn s THR 73 Ca 0.67 -1.36 0.08 0.00 -1.18 0.00 0.00 61.69 59.90 3gmn s THR 73 Cb -0.25 -2.29 0.53 0.00 1.34 0.00 0.00 72.50 71.83 3gmn s THR 73 CO 0.29 0.00 1.34 -0.62 -0.54 0.00 0.00 174.62 175.09 3gmn n GLU 74 N -0.42 3.39 0.00 3.99 -0.58 -1.26 -3.00 120.64 122.76 3gmn n GLU 74 Ca -0.02 -2.04 0.00 0.00 -0.42 0.00 0.00 57.16 54.68 3gmn n GLU 74 Cb 0.61 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 3gmn n GLU 74 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3gmn n THR 75 N 0.32 0.80 -4.87 2.62 -2.24 -1.26 -5.05 114.28 104.60 3gmn n THR 75 Ca 0.20 -0.82 -0.26 0.00 -2.27 0.00 0.00 64.05 60.90 3gmn n THR 75 Cb 0.91 0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 69.58 3gmn n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gmn s ASP 76 N -0.80 2.19 0.25 3.42 1.01 -1.16 -5.03 116.67 116.53 3gmn s ASP 76 Ca 0.00 -0.35 0.06 0.00 0.71 0.00 0.00 52.55 52.97 3gmn s ASP 76 Cb 0.00 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.46 3gmn s ASP 76 CO 0.00 0.19 0.28 0.42 0.21 0.00 0.00 175.17 176.27 3gmn s THR 77 N -0.19 4.87 -0.00 -1.27 -4.23 -1.26 -4.70 115.64 108.85 3gmn s THR 77 Ca 0.01 -1.19 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 3gmn s THR 77 Cb -0.10 -3.64 -0.00 0.00 1.34 0.00 0.00 72.50 70.10 3gmn s THR 77 CO 0.01 -0.34 0.04 -0.31 -0.54 0.00 0.00 174.62 173.48 3gmn s TYR 78 N -2.06 0.05 0.26 3.99 1.51 -1.26 -1.42 117.35 118.43 3gmn s TYR 78 Ca 0.34 -0.10 -0.15 0.00 -1.01 0.00 0.00 57.07 56.14 3gmn s TYR 78 Cb -0.08 -0.05 0.00 0.00 -0.11 0.00 0.00 41.96 41.71 3gmn s TYR 78 CO 0.27 -0.12 0.54 0.00 -1.11 0.00 0.00 175.55 175.14 3gmn s ALA 79 N -0.64 -0.49 -0.10 3.71 0.00 -0.42 -0.68 121.76 123.15 3gmn s ALA 79 Ca -0.07 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3gmn s ALA 79 Cb -0.04 1.01 0.02 0.00 0.00 0.00 0.00 23.12 24.11 3gmn s ALA 79 CO -0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 175.76 174.75 3gmn s ARG 81 N 1.23 2.61 -0.05 0.00 3.52 0.29 -0.73 118.95 125.82 3gmn s ARG 81 Ca -0.03 -0.87 0.04 0.00 -0.13 0.00 0.00 55.73 54.73 3gmn s ARG 81 Cb -0.14 -2.21 -0.00 0.00 -1.56 0.00 0.00 34.95 31.04 3gmn s ARG 81 CO -0.03 0.39 -0.17 0.08 -0.81 0.00 0.00 175.30 174.76 3gmn s VAL 82 N -0.16 1.41 -0.13 7.11 1.01 0.58 -0.42 120.40 129.79 3gmn s VAL 82 Ca -0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3gmn s VAL 82 Cb -0.14 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3gmn s VAL 82 CO 0.04 0.41 -0.07 -0.54 0.00 0.00 0.00 175.10 174.94 3gmn s LYS 83 N 0.16 3.44 -0.05 2.72 1.02 0.20 -0.46 119.74 126.77 3gmn s LYS 83 Ca -0.07 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.10 3gmn s LYS 83 Cb -0.13 -2.78 0.05 0.00 -0.52 0.00 0.00 37.83 34.46 3gmn s LYS 83 CO 0.03 0.30 0.55 -1.58 -0.92 0.00 0.00 175.35 173.73 3gmn s HIS 84 N 0.16 -0.50 0.57 3.18 2.46 -1.26 -1.43 115.29 118.47 3gmn s HIS 84 Ca -0.03 0.87 0.35 0.00 0.47 0.00 0.00 55.06 56.72 3gmn s HIS 84 Cb -0.14 0.29 1.97 0.00 -0.13 0.00 0.00 32.58 34.57 3gmn s HIS 84 CO 0.03 -0.52 2.26 0.00 -2.47 0.00 0.00 174.74 174.05 3gmn h ALA 85 N 3.44 1.27 0.00 1.58 0.00 -1.93 -0.83 119.26 122.79 3gmn h ALA 85 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gmn h ALA 85 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3gmn h ALA 85 CO 0.38 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.52 3gmn n SER 86 N -3.50 0.30 -4.20 0.00 3.41 -1.26 -4.76 113.62 103.61 3gmn n SER 86 Ca -0.03 0.57 -0.25 0.00 -0.26 0.00 0.00 58.87 58.91 3gmn n SER 86 Cb 0.11 -0.64 -0.15 0.00 -0.26 0.00 0.00 64.21 63.28 3gmn n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3gmn s MET 87 N -3.14 1.43 0.29 4.33 1.00 -0.32 -4.92 119.30 117.97 3gmn s MET 87 Ca 0.06 -0.74 0.15 0.00 0.00 0.00 0.00 55.69 55.16 3gmn s MET 87 Cb 0.09 -1.43 0.21 0.00 0.00 0.00 0.00 34.83 33.70 3gmn s MET 87 CO 0.32 0.38 1.51 0.00 0.00 0.00 0.00 175.02 177.23 3gmn h ALA 88 N 5.43 0.72 -2.80 3.03 0.00 -1.85 -3.44 119.26 120.36 3gmn h ALA 88 Ca -0.39 -0.48 -0.48 0.00 0.00 0.00 0.00 54.91 53.56 3gmn h ALA 88 Cb 1.15 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.68 3gmn h ALA 88 CO 0.47 0.66 -0.77 -1.21 0.00 0.00 0.00 179.25 178.40 3gmn s GLU 89 N -3.11 1.21 0.51 0.00 0.41 -1.26 -5.10 118.70 111.36 3gmn s GLU 89 Ca 0.02 -1.39 -0.23 0.00 -0.41 0.00 0.00 54.97 52.97 3gmn s GLU 89 Cb 0.09 -1.17 -0.06 0.00 -1.78 0.00 0.00 34.13 31.21 3gmn s GLU 89 CO 0.74 0.23 1.39 -2.14 -0.49 0.00 0.00 175.26 174.99 3gmn s PRO 90 N -2.90 3.32 -0.13 0.39 0.02 -1.26 -4.86 135.00 129.58 3gmn s PRO 90 Ca 0.15 2.32 -0.02 0.00 0.02 0.00 0.00 61.00 63.47 3gmn s PRO 90 Cb -0.05 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 32.05 3gmn s PRO 90 CO 0.05 -1.07 -0.04 0.21 -0.33 0.00 0.00 177.00 175.82 3gmn s LYS 91 N -2.75 3.39 -0.07 5.54 2.20 0.39 -4.91 119.74 123.53 3gmn s LYS 91 Ca 0.68 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.82 3gmn s LYS 91 Cb -0.42 -2.82 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3gmn s LYS 91 CO 0.51 0.38 -0.24 0.99 -0.36 0.00 0.00 175.35 176.64 3gmn s THR 92 N -0.02 2.15 -0.13 3.43 2.01 -1.26 -0.31 115.64 121.51 3gmn s THR 92 Ca 0.01 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.01 3gmn s THR 92 Cb -0.13 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.59 3gmn s THR 92 CO 0.03 0.57 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.62 3gmn s VAL 93 N -0.04 2.02 0.14 3.82 1.01 0.09 -4.97 120.40 122.46 3gmn s VAL 93 Ca -0.07 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 3gmn s VAL 93 Cb -0.15 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 3gmn s VAL 93 CO 0.05 0.54 0.57 -0.31 0.00 0.00 0.00 175.10 175.96 3gmn s TYR 94 N 0.79 3.66 0.14 5.22 1.51 -1.26 -0.77 117.35 126.63 3gmn s TYR 94 Ca -0.08 1.15 -0.31 0.00 -1.01 0.00 0.00 57.07 56.82 3gmn s TYR 94 Cb -0.16 -2.43 -0.10 0.00 -0.11 0.00 0.00 41.96 39.17 3gmn s TYR 94 CO -0.01 0.46 1.66 -0.46 -1.11 0.00 0.00 175.55 176.08 3gmn s TRP 95 N -1.39 2.73 -2.07 2.71 -0.00 0.15 -4.86 118.94 116.21 3gmn s TRP 95 Ca 0.36 0.40 0.13 0.00 -0.00 0.00 0.00 56.10 56.99 3gmn s TRP 95 Cb -0.16 -4.01 0.59 0.00 -0.00 0.00 0.00 33.47 29.88 3gmn s TRP 95 CO 0.19 -3.92 1.41 -0.40 -0.00 0.00 0.00 176.95 174.23 3gmn n ASP 96 N 4.66 0.77 0.00 5.86 5.75 -1.26 -4.77 116.55 127.56 3gmn n ASP 96 Ca 0.15 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 3gmn n ASP 96 Cb 0.38 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3gmn n ASP 96 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gmn n ARG 97 N -0.19 -0.02 0.00 0.11 1.74 -1.26 -4.77 116.66 112.27 3gmn n ARG 97 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3gmn n ARG 97 Cb 0.16 -2.76 0.00 0.00 -1.02 0.00 0.00 32.46 28.83 3gmn n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3gmn n ASP 98 N -0.01 2.03 0.00 0.55 8.00 -1.26 -4.96 116.55 120.89 3gmn n ASP 98 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 3gmn n ASP 98 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 3gmn n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04