#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gsn s ILE 1 N 0.00 1.99 -0.13 1.12 -1.09 -1.26 -5.12 121.20 116.71 3gsn s ILE 1 Ca 0.00 -1.00 0.02 0.00 -2.23 0.00 0.00 60.65 57.43 3gsn s ILE 1 Cb 0.00 -1.71 0.01 0.00 -1.58 0.00 0.00 42.46 39.19 3gsn s ILE 1 CO 0.00 0.55 -0.18 -1.10 -1.23 0.00 0.00 174.94 172.98 3gsn s GLN 2 N 0.15 2.62 0.20 2.79 -0.21 -1.26 -4.65 119.66 119.30 3gsn s GLN 2 Ca -0.12 -0.70 0.11 0.00 0.02 0.00 0.00 55.36 54.67 3gsn s GLN 2 Cb -0.16 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 3gsn s GLN 2 CO 0.06 -0.09 -0.22 1.03 -2.12 0.00 0.00 175.29 173.96 3gsn s ARG 3 N 1.03 1.58 -0.09 2.91 0.52 0.22 -4.88 118.95 120.25 3gsn s ARG 3 Ca -0.04 -1.53 -0.05 0.00 -0.52 0.00 0.00 55.73 53.59 3gsn s ARG 3 Cb -0.15 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 3gsn s ARG 3 CO -0.04 0.39 0.11 0.99 0.02 0.00 0.00 175.30 176.77 3gsn s THR 4 N -1.77 5.18 0.65 0.02 2.01 -1.26 -1.89 115.64 118.59 3gsn s THR 4 Ca 0.22 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 3gsn s THR 4 Cb -0.08 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 3gsn s THR 4 CO 0.11 0.55 1.14 -2.84 -0.69 0.00 0.00 174.62 172.89 3gsn s PRO 5 N -1.19 2.78 -0.04 4.92 0.02 -1.26 -4.28 135.00 135.94 3gsn s PRO 5 Ca 0.17 1.52 0.01 0.00 0.02 0.00 0.00 61.00 62.72 3gsn s PRO 5 Cb -0.12 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 3gsn s PRO 5 CO 0.07 -1.29 -0.03 0.15 -0.33 0.00 0.00 177.00 175.56 3gsn s LYS 6 N -3.89 2.77 -0.07 5.54 1.02 -0.12 -4.95 119.74 120.05 3gsn s LYS 6 Ca 0.70 -0.56 0.05 0.00 0.02 0.00 0.00 55.97 56.17 3gsn s LYS 6 Cb -0.23 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 3gsn s LYS 6 CO 0.39 0.65 -0.21 0.42 -0.92 0.00 0.00 175.35 175.68 3gsn s ILE 7 N -0.93 1.80 -0.07 2.17 1.01 -1.26 -2.17 121.20 121.75 3gsn s ILE 7 Ca 0.15 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3gsn s ILE 7 Cb -0.11 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.84 3gsn s ILE 7 CO 0.05 0.50 -0.05 -1.10 0.00 0.00 0.00 174.94 174.34 3gsn s GLN 8 N 0.10 1.05 -0.20 2.79 -0.21 -0.79 -5.01 119.66 117.40 3gsn s GLN 8 Ca -0.09 -0.12 -0.03 0.00 0.02 0.00 0.00 55.36 55.15 3gsn s GLN 8 Cb -0.14 -1.14 -0.01 0.00 1.00 0.00 0.00 33.01 32.72 3gsn s GLN 8 CO 0.05 -0.18 -0.07 0.08 -2.12 0.00 0.00 175.29 173.05 3gsn s VAL 9 N 1.40 3.22 0.18 1.09 1.01 -1.26 -1.26 120.40 124.78 3gsn s VAL 9 Ca -0.03 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 3gsn s VAL 9 Cb -0.13 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.83 3gsn s VAL 9 CO -0.03 0.45 0.49 -0.72 0.00 0.00 0.00 175.10 175.28 3gsn s TYR 10 N 1.29 -0.12 0.44 5.22 1.13 -0.30 -4.35 117.35 120.66 3gsn s TYR 10 Ca 0.03 -0.22 -0.06 0.00 -1.41 0.00 0.00 57.07 55.41 3gsn s TYR 10 Cb -0.14 0.34 0.10 0.00 -1.10 0.00 0.00 41.96 41.16 3gsn s TYR 10 CO -0.03 -0.86 0.60 -1.13 -2.51 0.00 0.00 175.55 171.62 3gsn n SER 11 N -0.31 0.18 -0.13 -0.18 3.41 -1.26 0.47 113.62 115.79 3gsn n SER 11 Ca -0.11 -1.30 -0.29 0.00 -0.26 0.00 0.00 58.87 56.91 3gsn n SER 11 Cb 0.63 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 64.03 3gsn n SER 11 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3gsn n ARG 12 N -2.23 0.59 0.00 4.33 0.63 -0.66 -4.69 116.66 114.62 3gsn n ARG 12 Ca 0.08 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 3gsn n ARG 12 Cb 0.27 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.66 3gsn n ARG 12 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3gsn n HIS 13 N -4.27 0.00 -2.11 -0.14 8.25 -1.26 -5.05 115.22 110.64 3gsn n HIS 13 Ca -0.52 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 56.67 3gsn n HIS 13 Cb 0.86 0.00 0.09 0.00 1.12 0.00 0.00 29.99 32.06 3gsn n HIS 13 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3gsn s PRO 14 N 4.40 1.96 -1.32 -0.41 0.04 -1.26 -4.96 135.00 133.44 3gsn s PRO 14 Ca 0.00 -0.21 -0.07 0.00 0.04 0.00 0.00 61.00 60.75 3gsn s PRO 14 Cb 0.00 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 3gsn s PRO 14 CO 0.00 -1.46 2.75 0.00 0.04 0.00 0.00 177.00 178.33 3gsn n ALA 15 N -3.11 7.11 -2.63 8.56 0.00 -1.26 -4.93 120.51 124.26 3gsn n ALA 15 Ca 0.09 -3.63 -0.43 0.00 0.00 0.00 0.00 53.44 49.47 3gsn n ALA 15 Cb 0.61 -2.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 3gsn n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gsn s GLU 16 N 0.43 4.06 0.74 0.00 2.02 -1.26 -5.02 118.70 119.67 3gsn s GLU 16 Ca 0.62 1.09 -0.12 0.00 0.02 0.00 0.00 54.97 56.59 3gsn s GLU 16 Cb 0.20 -3.74 0.04 0.00 0.10 0.00 0.00 34.13 30.73 3gsn s GLU 16 CO -0.08 -0.91 1.09 1.21 0.02 0.00 0.00 175.26 176.59 3gsn s ASN 17 N 1.71 4.69 0.00 -0.19 3.84 -1.26 -3.60 114.94 120.13 3gsn s ASN 17 Ca 0.46 1.86 0.00 0.00 0.21 0.00 0.00 52.86 55.39 3gsn s ASN 17 Cb -0.12 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 3gsn s ASN 17 CO 0.16 -1.91 0.00 0.61 -2.79 0.00 0.00 177.10 173.17 3gsn n GLY 18 N -1.07 1.06 0.00 1.21 0.00 -0.31 -4.90 105.19 101.19 3gsn n GLY 18 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gsn n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gsn n LYS 19 N -1.51 2.93 -3.65 1.61 3.00 -1.24 -4.69 118.16 114.61 3gsn n LYS 19 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 3gsn n LYS 19 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 3gsn n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3gsn s SER 20 N -1.00 3.47 0.00 3.14 0.01 -1.26 -3.91 113.70 114.14 3gsn s SER 20 Ca 0.00 -2.54 0.00 0.00 1.31 0.00 0.00 55.95 54.72 3gsn s SER 20 Cb 0.00 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.35 3gsn s SER 20 CO 0.00 -0.27 0.00 -3.20 0.41 0.00 0.00 173.24 170.18 3gsn n ASN 21 N 3.64 1.31 -4.14 2.44 2.85 -1.17 -5.00 115.26 115.19 3gsn n ASN 21 Ca 0.10 -0.62 -0.26 0.00 -0.11 0.00 0.00 54.58 53.68 3gsn n ASN 21 Cb 0.35 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.21 3gsn n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3gsn s PHE 22 N 0.31 1.75 -0.26 1.20 0.40 -1.26 -2.76 117.98 117.37 3gsn s PHE 22 Ca 0.00 -0.50 -0.12 0.00 -0.60 0.00 0.00 56.93 55.71 3gsn s PHE 22 Cb 0.00 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 3gsn s PHE 22 CO 0.00 -0.17 0.21 -1.17 0.70 0.00 0.00 175.22 174.79 3gsn s LEU 23 N 0.02 4.06 -0.09 -0.37 2.96 -0.22 -1.66 118.68 123.39 3gsn s LEU 23 Ca -0.04 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3gsn s LEU 23 Cb -0.12 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 3gsn s LEU 23 CO 0.02 -0.02 -0.16 0.20 -1.32 0.00 0.00 176.35 175.07 3gsn s ASN 24 N 1.46 3.86 -0.44 3.68 -0.87 0.18 -2.09 114.94 120.71 3gsn s ASN 24 Ca 0.09 -0.30 0.03 0.00 -1.57 0.00 0.00 52.86 51.10 3gsn s ASN 24 Cb -0.15 -1.18 0.12 0.00 -0.02 0.00 0.00 41.25 40.03 3gsn s ASN 24 CO 0.08 0.25 0.20 0.00 -2.57 0.00 0.00 177.10 175.07 3gsn s TYR 26 N 0.28 3.13 -0.16 0.00 5.04 -0.38 -1.52 117.35 123.73 3gsn s TYR 26 Ca 0.15 0.38 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 3gsn s TYR 26 Cb -0.24 -3.25 0.01 0.00 0.35 0.00 0.00 41.96 38.84 3gsn s TYR 26 CO -0.04 -0.69 -0.21 0.54 -1.34 0.00 0.00 175.55 173.82 3gsn s VAL 27 N 2.86 2.02 0.34 3.14 0.11 -0.28 -1.88 120.40 126.71 3gsn s VAL 27 Ca 0.27 -0.93 0.06 0.00 -2.93 0.00 0.00 61.98 58.44 3gsn s VAL 27 Cb -0.14 -1.80 -0.03 0.00 -1.53 0.00 0.00 36.38 32.88 3gsn s VAL 27 CO 0.16 0.54 0.22 -0.94 -3.33 0.00 0.00 175.10 171.75 3gsn s SER 28 N 1.05 1.90 -0.98 3.54 1.04 -0.92 -0.84 113.70 118.49 3gsn s SER 28 Ca -0.01 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 54.71 3gsn s SER 28 Cb -0.14 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3gsn s SER 28 CO -0.07 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.76 3gsn n GLY 29 N -0.68 -0.10 3.34 7.32 0.00 0.53 -0.94 105.19 114.65 3gsn n GLY 29 Ca 0.03 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 3gsn n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gsn s PHE 30 N -2.57 2.07 -0.07 1.61 -0.71 -1.20 -3.99 117.98 113.12 3gsn s PHE 30 Ca 0.00 -0.40 -0.03 0.00 -1.04 0.00 0.00 56.93 55.46 3gsn s PHE 30 Cb 0.00 -1.13 0.04 0.00 -1.21 0.00 0.00 43.02 40.72 3gsn s PHE 30 CO 0.00 0.27 0.15 -1.58 -1.34 0.00 0.00 175.22 172.72 3gsn s HIS 31 N -1.09 -0.16 0.34 3.49 2.46 -0.79 -2.35 115.29 117.18 3gsn s HIS 31 Ca 0.10 0.48 -0.04 0.00 0.47 0.00 0.00 55.06 56.07 3gsn s HIS 31 Cb -0.10 -0.08 0.07 0.00 -0.13 0.00 0.00 32.58 32.35 3gsn s HIS 31 CO 0.05 -0.16 0.46 -2.30 -2.47 0.00 0.00 174.74 170.32 3gsn n PRO 32 N 4.16 -0.24 0.17 2.88 -0.02 -1.26 -0.61 135.00 140.08 3gsn n PRO 32 Ca -0.26 -0.83 0.14 0.00 -2.02 0.00 0.00 63.50 60.52 3gsn n PRO 32 Cb 0.52 -0.43 0.47 0.00 -0.02 0.00 0.00 33.50 34.04 3gsn n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gsn h SER 33 N -0.53 0.00 -3.28 2.55 4.64 -2.00 -3.44 113.55 111.49 3gsn h SER 33 Ca -0.15 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.62 3gsn h SER 33 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3gsn h SER 33 CO 0.12 0.00 0.52 -1.81 -0.87 0.00 0.00 176.83 174.79 3gsn s ASP 34 N -4.96 7.24 -0.29 4.97 1.11 -1.26 -5.00 116.67 118.49 3gsn s ASP 34 Ca 0.05 1.66 -0.15 0.00 0.18 0.00 0.00 52.55 54.30 3gsn s ASP 34 Cb 0.09 -2.56 0.12 0.00 1.07 0.00 0.00 42.92 41.64 3gsn s ASP 34 CO 0.52 -0.40 0.81 -0.51 1.18 0.00 0.00 175.17 176.77 3gsn s ILE 35 N 1.60 -0.21 -0.20 0.77 2.07 -1.26 -4.69 121.20 119.27 3gsn s ILE 35 Ca 0.52 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.67 3gsn s ILE 35 Cb -0.21 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.33 3gsn s ILE 35 CO 0.23 0.00 0.10 -1.61 -1.91 0.00 0.00 174.94 171.75 3gsn s GLU 36 N 1.83 4.02 0.06 3.50 2.02 -0.97 -4.98 118.70 124.17 3gsn s GLU 36 Ca -0.08 -0.31 0.09 0.00 0.02 0.00 0.00 54.97 54.68 3gsn s GLU 36 Cb -0.06 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 3gsn s GLU 36 CO -0.18 0.19 -0.24 0.08 0.02 0.00 0.00 175.26 175.14 3gsn s VAL 37 N 0.62 1.92 -0.01 2.63 1.01 -1.26 -1.07 120.40 124.24 3gsn s VAL 37 Ca 0.05 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 3gsn s VAL 37 Cb -0.13 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 3gsn s VAL 37 CO 0.01 0.24 0.07 -1.81 0.00 0.00 0.00 175.10 173.61 3gsn s ASP 38 N -1.35 0.04 0.20 3.32 -0.00 -1.14 -4.96 116.67 112.78 3gsn s ASP 38 Ca 0.10 -0.13 0.07 0.00 -0.00 0.00 0.00 52.55 52.59 3gsn s ASP 38 Cb -0.09 0.17 -0.04 0.00 -0.00 0.00 0.00 42.92 42.95 3gsn s ASP 38 CO 0.03 -0.22 0.06 -0.76 -0.00 0.00 0.00 175.17 174.28 3gsn s LEU 39 N -0.83 3.49 -0.03 1.23 1.43 -1.26 -0.63 118.68 122.09 3gsn s LEU 39 Ca -0.09 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3gsn s LEU 39 Cb -0.05 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.09 3gsn s LEU 39 CO 0.00 0.05 0.06 -0.76 0.23 0.00 0.00 176.35 175.94 3gsn s LEU 40 N -3.23 1.34 -0.42 1.79 1.43 -0.80 -2.05 118.68 116.75 3gsn s LEU 40 Ca 0.30 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.42 3gsn s LEU 40 Cb -0.09 0.13 0.07 0.00 0.03 0.00 0.00 46.19 46.33 3gsn s LEU 40 CO 0.21 -0.08 0.26 -0.75 0.23 0.00 0.00 176.35 176.22 3gsn s LYS 41 N 0.61 2.64 -1.25 1.70 2.20 -0.34 -2.61 119.74 122.69 3gsn s LYS 41 Ca -0.05 -1.42 -0.04 0.00 -0.36 0.00 0.00 55.97 54.10 3gsn s LYS 41 Cb -0.07 -3.79 -0.01 0.00 -1.51 0.00 0.00 37.83 32.45 3gsn s LYS 41 CO -0.02 -0.94 0.74 0.09 -0.36 0.00 0.00 175.35 174.86 3gsn n ASN 42 N 4.94 -2.34 -1.34 1.43 3.02 1.04 -2.54 115.26 119.47 3gsn n ASN 42 Ca -0.10 -0.83 -0.15 0.00 -0.03 0.00 0.00 54.58 53.47 3gsn n ASN 42 Cb 0.43 -4.11 -0.04 0.00 -0.61 0.00 0.00 39.78 35.45 3gsn n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gsn n GLY 43 N -1.54 0.92 3.31 7.41 0.00 -1.26 -5.00 105.19 109.02 3gsn n GLY 43 Ca -0.25 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3gsn n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gsn s GLU 44 N -3.78 2.79 -0.43 1.61 0.41 -1.05 -5.08 118.70 113.17 3gsn s GLU 44 Ca 0.00 -0.83 -0.28 0.00 -0.41 0.00 0.00 54.97 53.46 3gsn s GLU 44 Cb 0.00 -2.31 -0.02 0.00 -1.78 0.00 0.00 34.13 30.02 3gsn s GLU 44 CO 0.00 0.35 1.79 0.50 -0.49 0.00 0.00 175.26 177.41 3gsn s ARG 45 N -0.06 3.11 0.08 1.61 3.52 -1.26 -1.20 118.95 124.74 3gsn s ARG 45 Ca -0.05 1.11 -0.32 0.00 -0.13 0.00 0.00 55.73 56.34 3gsn s ARG 45 Cb -0.14 -4.25 -0.11 0.00 -1.56 0.00 0.00 34.95 28.89 3gsn s ARG 45 CO 0.04 -2.13 1.81 -0.89 -0.81 0.00 0.00 175.30 173.33 3gsn n ILE 46 N 7.32 0.38 0.00 4.11 5.41 -0.87 -4.95 119.36 130.76 3gsn n ILE 46 Ca 0.22 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.90 3gsn n ILE 46 Cb 0.49 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 3gsn n ILE 46 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3gsn n GLU 47 N 5.61 0.00 -3.52 0.38 2.13 -1.26 -4.56 120.64 119.41 3gsn n GLU 47 Ca 0.19 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.64 3gsn n GLU 47 Cb 0.34 -0.46 -0.07 0.00 0.27 0.00 0.00 31.44 31.53 3gsn n GLU 47 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3gsn s LYS 48 N 0.00 4.19 0.02 5.31 2.20 -1.26 -5.08 119.74 125.12 3gsn s LYS 48 Ca 0.00 0.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.82 3gsn s LYS 48 Cb 0.00 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3gsn s LYS 48 CO 0.00 0.30 -0.14 0.08 -0.36 0.00 0.00 175.35 175.23 3gsn s VAL 49 N 0.26 1.12 0.24 4.02 1.01 -1.26 -4.93 120.40 120.86 3gsn s VAL 49 Ca 0.18 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3gsn s VAL 49 Cb -0.14 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3gsn s VAL 49 CO 0.06 0.11 0.43 -1.61 0.00 0.00 0.00 175.10 174.09 3gsn s GLU 50 N -0.87 3.52 -0.08 2.72 2.02 -0.82 -5.00 118.70 120.19 3gsn s GLU 50 Ca 0.03 -0.33 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 3gsn s GLU 50 Cb -0.07 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.39 3gsn s GLU 50 CO 0.01 0.34 0.30 -3.38 0.02 0.00 0.00 175.26 172.54 3gsn s HIS 51 N -1.98 -0.26 0.77 1.61 -3.43 -1.26 -1.86 115.29 108.88 3gsn s HIS 51 Ca 0.39 0.58 -0.11 0.00 -0.80 0.00 0.00 55.06 55.12 3gsn s HIS 51 Cb -0.11 0.10 0.05 0.00 -1.43 0.00 0.00 32.58 31.19 3gsn s HIS 51 CO 0.30 -0.24 1.10 -1.54 -2.00 0.00 0.00 174.74 172.36 3gsn s SER 52 N -0.41 4.79 0.00 7.38 1.04 -0.95 -4.97 113.70 120.59 3gsn s SER 52 Ca -0.05 1.22 -0.30 0.00 0.48 0.00 0.00 55.95 57.30 3gsn s SER 52 Cb -0.03 -1.96 -0.07 0.00 0.10 0.00 0.00 66.02 64.05 3gsn s SER 52 CO 0.02 -1.77 1.65 -1.81 0.98 0.00 0.00 173.24 172.30 3gsn s ASP 53 N -4.08 6.65 -0.02 7.02 -0.00 -1.26 -4.72 116.67 120.25 3gsn s ASP 53 Ca 0.60 2.34 -0.39 0.00 -0.00 0.00 0.00 52.55 55.10 3gsn s ASP 53 Cb -0.13 -2.55 -0.18 0.00 -0.00 0.00 0.00 42.92 40.06 3gsn s ASP 53 CO 0.53 -0.90 1.29 -0.11 -0.00 0.00 0.00 175.17 175.98 3gsn n LEU 54 N 6.41 1.03 0.00 1.23 7.94 -1.26 -4.97 117.00 127.38 3gsn n LEU 54 Ca 0.16 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 3gsn n LEU 54 Cb 0.42 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.31 3gsn n LEU 54 CO 0.62 -1.32 0.00 -0.24 -1.11 0.00 0.00 177.39 175.35 3gsn n SER 55 N 2.46 0.38 -3.55 1.96 2.88 -1.23 -5.06 113.62 111.46 3gsn n SER 55 Ca 0.21 -0.54 -0.12 0.00 -1.33 0.00 0.00 58.87 57.08 3gsn n SER 55 Cb 0.12 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.54 3gsn n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3gsn s PHE 56 N -1.26 -0.45 0.55 0.66 -0.12 -1.26 -2.94 117.98 113.16 3gsn s PHE 56 Ca 0.00 0.71 0.02 0.00 -0.05 0.00 0.00 56.93 57.61 3gsn s PHE 56 Cb 0.00 0.45 0.11 0.00 -0.63 0.00 0.00 43.02 42.95 3gsn s PHE 56 CO 0.00 -0.45 0.75 -1.13 -0.05 0.00 0.00 175.22 174.35 3gsn n SER 57 N 0.65 1.20 0.13 1.98 3.41 0.13 -4.89 113.62 116.23 3gsn n SER 57 Ca -0.13 -1.97 0.09 0.00 -0.26 0.00 0.00 58.87 56.61 3gsn n SER 57 Cb 0.58 -0.47 0.59 0.00 -0.26 0.00 0.00 64.21 64.65 3gsn n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3gsn h LYS 58 N 0.00 0.16 -0.58 4.33 1.57 -2.03 0.57 116.57 120.58 3gsn h LYS 58 Ca -0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3gsn h LYS 58 Cb 0.97 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3gsn h LYS 58 CO 0.29 0.10 0.00 -0.40 -0.57 0.00 0.00 179.45 178.87 3gsn n ASP 59 N -4.50 1.90 0.00 0.86 5.75 -1.26 -4.87 116.55 114.43 3gsn n ASP 59 Ca 0.01 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 3gsn n ASP 59 Cb 0.18 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3gsn n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3gsn n TRP 60 N 0.18 0.00 -2.66 2.11 7.02 0.20 -5.01 117.44 119.28 3gsn n TRP 60 Ca 0.08 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.24 3gsn n TRP 60 Cb 0.38 -0.43 -0.04 0.00 -2.42 0.00 0.00 31.31 28.80 3gsn n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3gsn s SER 61 N -2.30 6.66 0.11 -0.99 1.04 -1.23 -4.72 113.70 112.27 3gsn s SER 61 Ca 0.00 1.44 -0.08 0.00 0.48 0.00 0.00 55.95 57.79 3gsn s SER 61 Cb 0.00 -2.45 -0.06 0.00 0.10 0.00 0.00 66.02 63.61 3gsn s SER 61 CO 0.00 -0.46 0.41 -0.36 0.98 0.00 0.00 173.24 173.80 3gsn s PHE 62 N -2.42 3.54 0.09 5.02 0.08 -0.99 0.20 117.98 123.49 3gsn s PHE 62 Ca 0.57 0.73 0.02 0.00 0.12 0.00 0.00 56.93 58.37 3gsn s PHE 62 Cb -0.10 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 3gsn s PHE 62 CO 0.27 0.47 -0.07 1.52 -0.10 0.00 0.00 175.22 177.31 3gsn s TYR 63 N -1.51 0.87 -0.05 0.36 -0.85 -1.15 -0.35 117.35 114.67 3gsn s TYR 63 Ca 0.37 -0.85 -0.21 0.00 -0.52 0.00 0.00 57.07 55.85 3gsn s TYR 63 Cb -0.13 -0.50 0.04 0.00 0.38 0.00 0.00 41.96 41.75 3gsn s TYR 63 CO 0.20 -0.14 0.47 -0.51 -1.52 0.00 0.00 175.55 174.05 3gsn s LEU 64 N -2.83 0.21 -0.11 -3.49 1.43 -0.02 -3.54 118.68 110.32 3gsn s LEU 64 Ca 0.09 0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 3gsn s LEU 64 Cb 0.03 1.79 -0.03 0.00 0.03 0.00 0.00 46.19 48.01 3gsn s LEU 64 CO -0.04 -0.48 -0.04 -0.22 0.23 0.00 0.00 176.35 175.80 3gsn s LEU 65 N -1.10 3.29 -0.21 1.79 2.96 -1.26 -1.13 118.68 123.02 3gsn s LEU 65 Ca -0.11 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3gsn s LEU 65 Cb -0.03 -1.76 0.05 0.00 0.50 0.00 0.00 46.19 44.95 3gsn s LEU 65 CO 0.06 0.28 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.98 3gsn s TYR 66 N -0.28 2.31 0.03 5.38 2.02 -0.58 -2.23 117.35 123.99 3gsn s TYR 66 Ca 0.05 -1.58 0.03 0.00 -0.37 0.00 0.00 57.07 55.20 3gsn s TYR 66 Cb -0.13 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3gsn s TYR 66 CO 0.02 -0.74 -0.10 1.52 -1.57 0.00 0.00 175.55 174.69 3gsn s TYR 67 N 1.43 0.84 -0.03 2.71 -0.85 -0.78 0.41 117.35 121.09 3gsn s TYR 67 Ca -0.03 -0.36 -0.05 0.00 -0.52 0.00 0.00 57.07 56.11 3gsn s TYR 67 Cb -0.17 -0.50 0.01 0.00 0.38 0.00 0.00 41.96 41.67 3gsn s TYR 67 CO -0.07 -0.02 0.12 -0.08 -1.52 0.00 0.00 175.55 173.98 3gsn s THR 68 N -0.93 0.04 0.02 -3.49 -1.32 -0.89 -1.95 115.64 107.13 3gsn s THR 68 Ca -0.03 -0.33 -0.30 0.00 -1.21 0.00 0.00 61.69 59.82 3gsn s THR 68 Cb -0.08 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.59 3gsn s THR 68 CO 0.01 -0.18 1.03 -0.70 -2.21 0.00 0.00 174.62 172.57 3gsn s GLU 69 N -0.59 4.54 0.08 7.08 2.12 -1.26 -1.06 118.70 129.61 3gsn s GLU 69 Ca -0.07 1.51 -0.12 0.00 0.36 0.00 0.00 54.97 56.65 3gsn s GLU 69 Cb -0.04 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.94 3gsn s GLU 69 CO 0.01 -0.08 0.28 -0.59 -0.54 0.00 0.00 175.26 174.33 3gsn s PHE 70 N 0.95 -0.03 -0.35 5.30 -0.71 -1.11 -4.96 117.98 117.07 3gsn s PHE 70 Ca 0.53 -0.27 -0.05 0.00 -1.04 0.00 0.00 56.93 56.10 3gsn s PHE 70 Cb -0.23 0.08 0.06 0.00 -1.21 0.00 0.00 43.02 41.71 3gsn s PHE 70 CO 0.28 -0.57 0.11 0.99 -1.34 0.00 0.00 175.22 174.70 3gsn s THR 71 N -3.39 3.54 0.36 -4.49 2.01 -1.26 -3.05 115.64 109.36 3gsn s THR 71 Ca 0.01 -1.38 -0.26 0.00 0.31 0.00 0.00 61.69 60.36 3gsn s THR 71 Cb 0.02 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.34 3gsn s THR 71 CO -0.09 -0.28 1.15 -2.84 -0.69 0.00 0.00 174.62 171.88 3gsn s PRO 72 N 1.32 4.24 0.37 4.92 0.02 -1.25 -4.96 135.00 139.66 3gsn s PRO 72 Ca -0.01 1.83 0.08 0.00 0.02 0.00 0.00 61.00 62.93 3gsn s PRO 72 Cb -0.21 -2.82 -0.07 0.00 0.02 0.00 0.00 34.50 31.42 3gsn s PRO 72 CO 0.01 -0.16 -0.04 0.95 -0.33 0.00 0.00 177.00 177.43 3gsn s THR 73 N -1.35 2.06 -1.61 0.99 -4.23 -1.26 -1.16 115.64 109.08 3gsn s THR 73 Ca 0.53 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3gsn s THR 73 Cb -0.31 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.72 3gsn s THR 73 CO 0.39 -0.10 0.76 -1.84 -0.54 0.00 0.00 174.62 173.29 3gsn n GLU 74 N -0.86 0.95 0.00 3.99 0.28 -1.26 -3.48 120.64 120.26 3gsn n GLU 74 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 3gsn n GLU 74 Cb 0.65 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 32.34 3gsn n GLU 74 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3gsn n LYS 75 N -0.29 2.41 -1.02 3.44 4.01 -1.26 -5.11 118.16 120.34 3gsn n LYS 75 Ca 0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 3gsn n LYS 75 Cb 0.09 -0.87 0.15 0.00 -0.51 0.00 0.00 35.03 33.89 3gsn n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3gsn s ASP 76 N -2.69 3.31 -0.14 4.39 1.01 -1.23 -5.05 116.67 116.28 3gsn s ASP 76 Ca 0.00 1.75 -0.01 0.00 0.71 0.00 0.00 52.55 55.00 3gsn s ASP 76 Cb 0.00 -2.37 0.03 0.00 1.01 0.00 0.00 42.92 41.59 3gsn s ASP 76 CO 0.00 -2.78 -0.05 -1.61 0.21 0.00 0.00 175.17 170.94 3gsn s GLU 77 N -4.80 1.34 0.00 8.23 0.41 -1.26 -4.92 118.70 117.69 3gsn s GLU 77 Ca 0.64 -0.33 0.07 0.00 -0.41 0.00 0.00 54.97 54.94 3gsn s GLU 77 Cb -0.20 -1.72 -0.02 0.00 -1.78 0.00 0.00 34.13 30.41 3gsn s GLU 77 CO 0.58 -0.36 -0.22 0.71 -0.49 0.00 0.00 175.26 175.48 3gsn s TYR 78 N 1.72 1.98 0.38 1.61 2.02 -1.25 0.34 117.35 124.14 3gsn s TYR 78 Ca 0.03 -0.38 -0.10 0.00 -0.37 0.00 0.00 57.07 56.25 3gsn s TYR 78 Cb -0.14 -1.24 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 3gsn s TYR 78 CO -0.08 0.01 0.67 0.00 -1.57 0.00 0.00 175.55 174.59 3gsn s ALA 79 N -0.60 -0.08 0.02 3.71 0.00 -1.07 -0.34 121.76 123.40 3gsn s ALA 79 Ca 0.09 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.01 3gsn s ALA 79 Cb -0.09 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 3gsn s ALA 79 CO -0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 175.76 174.64 3gsn s ARG 81 N -0.91 1.76 0.05 0.00 3.52 0.20 -2.07 118.95 121.50 3gsn s ARG 81 Ca 0.08 -2.48 -0.18 0.00 -0.13 0.00 0.00 55.73 53.02 3gsn s ARG 81 Cb -0.09 -2.92 -0.06 0.00 -1.56 0.00 0.00 34.95 30.32 3gsn s ARG 81 CO 0.01 -1.16 0.53 0.08 -0.81 0.00 0.00 175.30 173.95 3gsn s VAL 82 N -0.19 4.81 0.08 7.11 1.01 -0.78 -2.86 120.40 129.57 3gsn s VAL 82 Ca 0.19 1.13 0.07 0.00 0.00 0.00 0.00 61.98 63.37 3gsn s VAL 82 Cb -0.22 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3gsn s VAL 82 CO -0.03 0.56 -0.18 0.21 0.00 0.00 0.00 175.10 175.66 3gsn s ASN 83 N -1.07 2.19 -0.22 3.32 2.47 -0.23 -1.09 114.94 120.31 3gsn s ASN 83 Ca 0.28 -0.63 -0.28 0.00 0.42 0.00 0.00 52.86 52.65 3gsn s ASN 83 Cb -0.19 -0.11 0.13 0.00 -1.45 0.00 0.00 41.25 39.63 3gsn s ASN 83 CO 0.18 0.02 1.06 -2.28 -3.72 0.00 0.00 177.10 172.36 3gsn s HIS 84 N -1.13 -0.37 0.58 0.43 5.65 -1.26 -2.29 115.29 116.90 3gsn s HIS 84 Ca 0.03 0.75 0.28 0.00 0.25 0.00 0.00 55.06 56.38 3gsn s HIS 84 Cb -0.10 0.42 1.67 0.00 -1.18 0.00 0.00 32.58 33.39 3gsn s HIS 84 CO 0.03 -0.26 2.14 -0.24 -0.65 0.00 0.00 174.74 175.75 3gsn h VAL 85 N 2.93 0.52 0.00 0.89 3.04 -1.95 0.34 116.25 122.02 3gsn h VAL 85 Ca -0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 3gsn h VAL 85 Cb 1.17 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 3gsn h VAL 85 CO 0.22 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.13 3gsn n THR 86 N -3.87 0.39 -3.85 3.17 -2.24 -1.26 -4.79 114.28 101.83 3gsn n THR 86 Ca 0.01 0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.55 3gsn n THR 86 Cb 0.27 -0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 67.74 3gsn n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gsn s LEU 87 N -2.87 4.36 -0.05 3.22 1.43 0.12 -5.01 118.68 119.88 3gsn s LEU 87 Ca 0.14 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.71 3gsn s LEU 87 Cb 0.15 -2.77 -0.24 0.00 0.03 0.00 0.00 46.19 43.36 3gsn s LEU 87 CO 0.40 0.22 0.63 0.28 0.23 0.00 0.00 176.35 178.11 3gsn h SER 88 N 3.62 0.14 -4.49 2.29 0.02 -1.86 -3.45 113.55 109.81 3gsn h SER 88 Ca -0.48 -0.29 -0.28 0.00 -0.84 0.00 0.00 61.79 59.90 3gsn h SER 88 Cb 1.18 -0.05 -0.17 0.00 0.14 0.00 0.00 62.40 63.50 3gsn h SER 88 CO 0.70 1.26 -0.72 -1.10 -1.14 0.00 0.00 176.83 175.83 3gsn s GLN 89 N -2.59 0.80 0.14 3.45 1.11 -1.26 -5.12 119.66 116.19 3gsn s GLN 89 Ca -0.09 -1.16 -0.31 0.00 0.01 0.00 0.00 55.36 53.80 3gsn s GLN 89 Cb 0.08 -0.40 -0.11 0.00 -1.01 0.00 0.00 33.01 31.57 3gsn s GLN 89 CO 0.81 0.05 1.82 -0.35 0.01 0.00 0.00 175.29 177.63 3gsn n PRO 90 N 0.49 2.80 -2.46 2.91 -0.04 -1.26 -4.94 135.00 132.50 3gsn n PRO 90 Ca -0.16 1.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.90 3gsn n PRO 90 Cb 0.58 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 31.11 3gsn n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3gsn s LYS 91 N 2.41 4.37 -0.15 0.54 2.47 -0.25 -4.84 119.74 124.29 3gsn s LYS 91 Ca 0.80 1.67 -0.05 0.00 -1.56 0.00 0.00 55.97 56.83 3gsn s LYS 91 Cb -0.48 -3.53 -0.04 0.00 -1.46 0.00 0.00 37.83 32.32 3gsn s LYS 91 CO 0.36 -0.41 0.04 0.42 0.16 0.00 0.00 175.35 175.92 3gsn s ILE 92 N 2.03 4.63 -0.15 5.43 -1.09 -1.26 -1.87 121.20 128.92 3gsn s ILE 92 Ca 0.56 -0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.87 3gsn s ILE 92 Cb -0.25 -3.04 0.04 0.00 -1.58 0.00 0.00 42.46 37.63 3gsn s ILE 92 CO 0.23 0.52 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.75 3gsn s VAL 93 N -0.10 0.81 0.44 2.92 1.01 -0.88 -4.96 120.40 119.64 3gsn s VAL 93 Ca 0.06 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 3gsn s VAL 93 Cb -0.12 -1.07 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 3gsn s VAL 93 CO 0.01 0.07 1.18 -0.54 0.00 0.00 0.00 175.10 175.82 3gsn s LYS 94 N 1.76 3.85 -0.38 2.72 3.01 -1.26 -1.46 119.74 127.98 3gsn s LYS 94 Ca 0.01 1.82 -0.22 0.00 -1.01 0.00 0.00 55.97 56.57 3gsn s LYS 94 Cb -0.15 -2.50 0.01 0.00 -1.01 0.00 0.00 37.83 34.18 3gsn s LYS 94 CO -0.07 -0.49 0.74 -0.46 0.51 0.00 0.00 175.35 175.58 3gsn s TRP 95 N -1.49 3.10 -0.32 3.18 -0.00 0.54 -4.87 118.94 119.08 3gsn s TRP 95 Ca 0.61 0.41 -0.17 0.00 -0.00 0.00 0.00 56.10 56.96 3gsn s TRP 95 Cb -0.30 -3.37 -0.01 0.00 -0.00 0.00 0.00 33.47 29.79 3gsn s TRP 95 CO 0.37 -0.75 0.45 0.34 -0.00 0.00 0.00 176.95 177.36 3gsn s ASP 96 N 1.88 6.29 0.00 5.86 2.15 -1.26 -4.82 116.67 126.77 3gsn s ASP 96 Ca 0.29 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.30 3gsn s ASP 96 Cb -0.13 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 3gsn s ASP 96 CO 0.17 -0.38 0.25 -2.11 -0.17 0.00 0.00 175.17 172.94 3gsn n ARG 97 N 5.57 0.00 -1.65 4.34 1.85 -1.26 -4.27 116.66 121.24 3gsn n ARG 97 Ca -0.06 0.48 -0.41 0.00 -1.00 0.00 0.00 57.85 56.85 3gsn n ARG 97 Cb 0.49 -1.11 -0.03 0.00 -1.05 0.00 0.00 32.46 30.77 3gsn n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3gsn n ASP 98 N -1.94 3.42 0.00 2.89 10.43 -1.26 -4.94 116.55 125.15 3gsn n ASP 98 Ca 0.00 -2.78 0.08 0.00 2.57 0.00 0.00 54.79 54.67 3gsn n ASP 98 Cb 0.00 -1.48 0.49 0.00 1.84 0.00 0.00 41.12 41.98 3gsn n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36