#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gm2 s PRO 2 N 0.00 3.82 -1.29 2.12 0.02 -1.26 -4.91 135.00 133.49 2gm2 s PRO 2 Ca 0.00 1.92 -0.13 0.00 0.02 0.00 0.00 61.00 62.81 2gm2 s PRO 2 Cb 0.00 -4.09 0.12 0.00 0.02 0.00 0.00 34.50 30.56 2gm2 s PRO 2 CO 0.00 -1.28 1.77 1.28 -0.33 0.00 0.00 177.00 178.44 2gm2 n LEU 3 N 8.53 5.84 -0.36 -5.54 4.77 -1.26 -3.93 117.00 125.05 2gm2 n LEU 3 Ca 0.20 -4.34 0.00 0.00 -0.03 0.00 0.00 56.01 51.84 2gm2 n LEU 3 Cb 0.44 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 2gm2 n LEU 3 CO 0.65 0.85 0.25 -3.20 -1.33 0.00 0.00 177.39 174.60 2gm2 n ASN 4 N 5.84 0.00 -3.18 -1.43 5.15 -1.26 -5.00 115.26 115.38 2gm2 n ASN 4 Ca 0.43 -1.68 0.02 0.00 -0.60 0.00 0.00 54.58 52.74 2gm2 n ASN 4 Cb 0.41 -0.14 -0.01 0.00 -0.53 0.00 0.00 39.78 39.51 2gm2 n ASN 4 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2gm2 s GLN 5 N 0.00 0.53 -0.01 1.20 2.00 -1.25 -5.08 119.66 117.05 2gm2 s GLN 5 Ca 0.00 0.60 -0.07 0.00 -2.00 0.00 0.00 55.36 53.89 2gm2 s GLN 5 Cb 0.00 0.22 -0.04 0.00 0.80 0.00 0.00 33.01 33.99 2gm2 s GLN 5 CO 0.00 -0.93 0.65 1.49 -0.50 0.00 0.00 175.29 176.00 2gm2 h GLU 6 N 8.03 -0.26 -2.54 1.67 4.22 -1.94 -3.45 114.58 120.30 2gm2 h GLU 6 Ca -0.08 0.02 -0.34 0.00 0.08 0.00 0.00 59.36 59.04 2gm2 h GLU 6 Cb 1.17 0.06 -0.36 0.00 0.50 0.00 0.00 28.75 30.12 2gm2 h GLU 6 CO 0.20 -0.17 -0.65 -1.01 -2.18 0.00 0.00 179.01 175.20 2gm2 s HIS 7 N -2.75 -0.22 1.00 0.92 3.76 -1.26 -5.15 115.29 111.59 2gm2 s HIS 7 Ca -0.04 0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.82 2gm2 s HIS 7 Cb 0.00 -0.43 0.19 0.00 1.11 0.00 0.00 32.58 33.45 2gm2 s HIS 7 CO 0.12 -0.64 1.10 -2.14 -0.85 0.00 0.00 174.74 172.33 2gm2 s PRO 8 N 2.30 0.42 -0.70 8.40 0.02 -1.26 -4.94 135.00 139.24 2gm2 s PRO 8 Ca 0.07 0.43 -0.27 0.00 0.02 0.00 0.00 61.00 61.25 2gm2 s PRO 8 Cb -0.16 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.64 2gm2 s PRO 8 CO -0.15 -2.72 1.46 0.34 -0.33 0.00 0.00 177.00 175.60 2gm2 s ASP 9 N -3.57 5.89 -0.06 2.53 2.15 -1.26 -4.45 116.67 117.90 2gm2 s ASP 9 Ca 0.65 -0.21 -0.05 0.00 0.43 0.00 0.00 52.55 53.38 2gm2 s ASP 9 Cb -0.18 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 39.91 2gm2 s ASP 9 CO 0.57 -2.01 0.09 -1.22 -0.17 0.00 0.00 175.17 172.43 2gm2 n TYR 10 N 10.42 -3.97 -2.24 -5.34 4.01 -1.26 -4.92 117.16 113.85 2gm2 n TYR 10 Ca 0.08 2.34 -0.42 0.00 -0.16 0.00 0.00 57.90 59.75 2gm2 n TYR 10 Cb 0.50 -3.56 -0.03 0.00 -0.31 0.00 0.00 39.34 35.94 2gm2 n TYR 10 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2gm2 s THR 11 N -0.53 3.40 -1.06 -0.72 2.01 -1.26 -4.92 115.64 112.56 2gm2 s THR 11 Ca -0.10 1.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.73 2gm2 s THR 11 Cb 0.01 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2gm2 s THR 11 CO 0.28 0.12 1.87 -0.31 -0.69 0.00 0.00 174.62 175.89 2gm2 s TYR 12 N 0.67 2.03 0.14 4.92 1.51 -1.26 -4.93 117.35 120.43 2gm2 s TYR 12 Ca 0.60 0.20 0.08 0.00 -1.01 0.00 0.00 57.07 56.94 2gm2 s TYR 12 Cb -0.35 -4.16 -0.04 0.00 -0.11 0.00 0.00 41.96 37.29 2gm2 s TYR 12 CO 0.33 -1.56 -0.10 0.00 -1.11 0.00 0.00 175.55 173.11 2gm2 s ALA 13 N 9.36 2.94 0.37 3.71 0.00 -1.26 -3.59 121.76 133.29 2gm2 s ALA 13 Ca 0.65 -1.34 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 2gm2 s ALA 13 Cb -0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 2gm2 s ALA 13 CO 0.05 0.57 1.26 -1.17 0.00 0.00 0.00 175.76 176.46 2gm2 s LEU 14 N -2.45 4.32 -0.21 0.00 2.96 -1.26 -2.49 118.68 119.54 2gm2 s LEU 14 Ca 0.22 2.57 -0.16 0.00 -0.22 0.00 0.00 54.13 56.54 2gm2 s LEU 14 Cb -0.10 -3.81 -0.08 0.00 0.50 0.00 0.00 46.19 42.70 2gm2 s LEU 14 CO 0.14 -0.64 -0.32 -1.14 -1.32 0.00 0.00 176.35 173.07 2gm2 n ARG 15 N 0.45 0.54 -3.78 1.98 3.00 0.06 -4.77 116.66 114.14 2gm2 n ARG 15 Ca 0.02 0.26 -0.03 0.00 -0.00 0.00 0.00 57.85 58.10 2gm2 n ARG 15 Cb 0.44 -1.48 -0.00 0.00 0.00 0.00 0.00 32.46 31.42 2gm2 n ARG 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gm2 s ALA 16 N -2.77 -1.71 -0.15 5.13 0.00 -0.86 -5.04 121.76 116.36 2gm2 s ALA 16 Ca -0.31 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 2gm2 s ALA 16 Cb 0.07 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 2gm2 s ALA 16 CO 0.44 -1.05 -0.10 0.00 0.00 0.00 0.00 175.76 175.05 2gm2 s ALA 17 N -2.80 2.73 -0.70 0.00 0.00 -1.26 -1.74 121.76 117.99 2gm2 s ALA 17 Ca 0.16 -0.92 0.22 0.00 0.00 0.00 0.00 51.96 51.42 2gm2 s ALA 17 Cb -0.01 -1.37 -0.14 0.00 0.00 0.00 0.00 23.12 21.61 2gm2 s ALA 17 CO 0.03 0.13 0.88 -3.47 0.00 0.00 0.00 175.76 173.32 2gm2 n ASP 18 N 3.74 0.66 -0.87 0.00 2.03 -0.62 -4.94 116.55 116.55 2gm2 n ASP 18 Ca -0.18 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.58 2gm2 n ASP 18 Cb 0.52 1.11 0.00 0.00 -0.72 0.00 0.00 41.12 42.03 2gm2 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gm2 n GLY 19 N 1.42 -2.72 2.86 0.27 0.00 -1.26 -4.63 105.19 101.13 2gm2 n GLY 19 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2gm2 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gm2 n ARG 20 N 0.17 -1.06 -3.69 1.61 1.74 -1.26 -4.93 116.66 109.24 2gm2 n ARG 20 Ca 0.00 0.26 -0.14 0.00 -0.77 0.00 0.00 57.85 57.20 2gm2 n ARG 20 Cb 0.00 -4.22 -0.08 0.00 -1.02 0.00 0.00 32.46 27.14 2gm2 n ARG 20 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2gm2 s HIS 21 N -1.47 -0.39 -0.07 -1.55 3.76 -1.26 -4.48 115.29 109.82 2gm2 s HIS 21 Ca 0.00 0.74 0.04 0.00 -0.15 0.00 0.00 55.06 55.70 2gm2 s HIS 21 Cb 0.00 0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.87 2gm2 s HIS 21 CO 0.00 -0.40 -0.21 0.00 -0.85 0.00 0.00 174.74 173.27 2gm2 s ALA 22 N -0.86 2.31 -0.44 -1.40 0.00 -0.73 -1.58 121.76 119.07 2gm2 s ALA 22 Ca -0.09 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 2gm2 s ALA 22 Cb -0.03 -0.82 0.12 0.00 0.00 0.00 0.00 23.12 22.38 2gm2 s ALA 22 CO 0.05 0.39 0.26 0.21 0.00 0.00 0.00 175.76 176.67 2gm2 s LYS 23 N -0.09 2.19 -0.27 0.00 2.20 -0.71 0.07 119.74 123.13 2gm2 s LYS 23 Ca -0.05 -1.83 -0.04 0.00 -0.36 0.00 0.00 55.97 53.69 2gm2 s LYS 23 Cb -0.14 -3.71 0.02 0.00 -1.51 0.00 0.00 37.83 32.48 2gm2 s LYS 23 CO 0.04 -1.12 0.01 0.08 -0.36 0.00 0.00 175.35 174.01 2gm2 s VAL 24 N 1.18 3.45 0.00 4.02 1.01 -0.29 -0.76 120.40 129.01 2gm2 s VAL 24 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2gm2 s VAL 24 Cb -0.24 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2gm2 s VAL 24 CO -0.03 0.14 0.00 -3.20 0.00 0.00 0.00 175.10 172.01 2gm2 n ASN 25 N 4.77 0.00 0.00 3.32 2.85 -1.04 -0.50 115.26 124.66 2gm2 n ASN 25 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 2gm2 n ASN 25 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 2gm2 n ASN 25 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 2gm2 n GLU 26 N 0.00 0.44 -3.77 1.20 0.28 -1.26 -4.84 120.64 112.69 2gm2 n GLU 26 Ca 0.00 -0.05 -0.35 0.00 -0.16 0.00 0.00 57.16 56.60 2gm2 n GLU 26 Cb 0.00 -0.38 -0.09 0.00 1.43 0.00 0.00 31.44 32.41 2gm2 n GLU 26 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2gm2 s GLN 27 N -0.08 4.13 -0.46 3.44 -0.21 0.35 -5.05 119.66 121.78 2gm2 s GLN 27 Ca 0.00 -0.25 -0.24 0.00 0.02 0.00 0.00 55.36 54.89 2gm2 s GLN 27 Cb 0.00 -3.40 0.03 0.00 1.00 0.00 0.00 33.01 30.64 2gm2 s GLN 27 CO 0.00 0.25 0.82 0.42 -2.12 0.00 0.00 175.29 174.66 2gm2 s ILE 28 N 0.49 4.60 -0.02 1.08 1.01 -1.26 -1.13 121.20 125.96 2gm2 s ILE 28 Ca 0.07 0.47 -0.12 0.00 0.00 0.00 0.00 60.65 61.07 2gm2 s ILE 28 Cb -0.12 -4.36 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 2gm2 s ILE 28 CO -0.01 -0.77 0.34 -0.76 0.00 0.00 0.00 174.94 173.75 2gm2 s LEU 29 N 3.42 4.44 -0.11 2.97 1.43 0.11 -4.90 118.68 126.04 2gm2 s LEU 29 Ca 0.31 0.82 0.16 0.00 -1.03 0.00 0.00 54.13 54.39 2gm2 s LEU 29 Cb -0.12 -2.50 0.39 0.00 0.03 0.00 0.00 46.19 43.99 2gm2 s LEU 29 CO 0.23 0.33 1.18 0.00 0.23 0.00 0.00 176.35 178.32 2gm2 n GLN 30 N 1.75 0.88 -4.62 1.70 6.02 -1.26 -1.77 117.38 120.08 2gm2 n GLN 30 Ca -0.15 -2.62 -0.28 0.00 -0.01 0.00 0.00 57.00 53.94 2gm2 n GLN 30 Cb 0.53 -0.95 -0.11 0.00 1.02 0.00 0.00 30.24 30.73 2gm2 n GLN 30 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2gm2 s GLN 31 N -1.82 1.96 -0.25 -1.09 -1.52 -1.25 -4.53 119.66 111.16 2gm2 s GLN 31 Ca 0.34 -2.11 -0.27 0.00 -1.95 0.00 0.00 55.36 51.36 2gm2 s GLN 31 Cb 0.35 -1.64 0.01 0.00 -0.22 0.00 0.00 33.01 31.50 2gm2 s GLN 31 CO -0.09 -0.05 0.95 -1.12 -0.25 0.00 0.00 175.29 174.73 2gm2 s SER 32 N -3.71 6.95 0.05 5.90 0.01 -1.26 -2.38 113.70 119.26 2gm2 s SER 32 Ca 0.35 1.16 -0.00 0.00 1.31 0.00 0.00 55.95 58.77 2gm2 s SER 32 Cb 0.10 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 2gm2 s SER 32 CO 0.18 -0.64 -0.04 0.72 0.41 0.00 0.00 173.24 173.87 2gm2 s PHE 33 N 3.12 0.53 -0.24 2.43 -0.71 -0.72 -2.59 117.98 119.80 2gm2 s PHE 33 Ca 0.40 -0.92 -0.00 0.00 -1.04 0.00 0.00 56.93 55.37 2gm2 s PHE 33 Cb -0.15 -0.37 0.03 0.00 -1.21 0.00 0.00 43.02 41.33 2gm2 s PHE 33 CO 0.08 -0.30 -0.10 0.42 -1.34 0.00 0.00 175.22 173.99 2gm2 s ILE 34 N -3.28 2.57 -0.23 -4.49 1.01 0.12 -1.27 121.20 115.63 2gm2 s ILE 34 Ca 0.02 -1.16 -0.07 0.00 0.00 0.00 0.00 60.65 59.44 2gm2 s ILE 34 Cb 0.03 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 2gm2 s ILE 34 CO -0.07 0.20 0.07 -0.22 0.00 0.00 0.00 174.94 174.92 2gm2 s LEU 35 N 1.27 3.55 0.28 2.97 2.96 0.84 -0.33 118.68 130.22 2gm2 s LEU 35 Ca -0.01 -0.12 0.08 0.00 -0.22 0.00 0.00 54.13 53.86 2gm2 s LEU 35 Cb -0.17 -1.94 -0.06 0.00 0.50 0.00 0.00 46.19 44.53 2gm2 s LEU 35 CO -0.06 0.03 -0.09 -0.04 -1.32 0.00 0.00 176.35 174.87 2gm2 s MET 36 N 1.23 1.59 -0.88 1.98 -1.94 -0.02 -0.70 119.30 120.57 2gm2 s MET 36 Ca 0.05 -1.79 -0.32 0.00 -1.71 0.00 0.00 55.69 51.92 2gm2 s MET 36 Cb -0.14 -1.33 -0.20 0.00 2.01 0.00 0.00 34.83 35.17 2gm2 s MET 36 CO 0.03 0.11 2.60 -2.30 -0.01 0.00 0.00 175.02 175.46 2gm2 n PRO 37 N -0.61 0.16 0.00 2.03 -0.02 -1.26 -1.31 135.00 133.99 2gm2 n PRO 37 Ca -0.06 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2gm2 n PRO 37 Cb 0.63 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2gm2 n PRO 37 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2gm2 n ASP 38 N 10.91 0.00 -4.44 2.55 2.03 -1.24 -4.92 116.55 121.44 2gm2 n ASP 38 Ca 0.61 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 55.48 2gm2 n ASP 38 Cb 0.09 -0.07 -0.08 0.00 -0.72 0.00 0.00 41.12 40.34 2gm2 n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2gm2 s GLU 39 N 0.00 3.05 -0.27 -0.67 2.02 -0.43 -3.98 118.70 118.42 2gm2 s GLU 39 Ca 0.00 -0.99 -0.09 0.00 0.02 0.00 0.00 54.97 53.91 2gm2 s GLU 39 Cb 0.00 -4.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.15 2gm2 s GLU 39 CO 0.00 -0.98 0.13 -1.17 0.02 0.00 0.00 175.26 173.26 2gm2 s LEU 40 N 2.06 3.76 -0.63 1.80 2.96 -1.26 -0.84 118.68 126.53 2gm2 s LEU 40 Ca 0.10 -0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 2gm2 s LEU 40 Cb -0.20 -2.01 0.16 0.00 0.50 0.00 0.00 46.19 44.65 2gm2 s LEU 40 CO 0.11 -0.07 0.54 -0.69 -1.32 0.00 0.00 176.35 174.92 2gm2 s VAL 41 N 1.66 4.83 -2.28 1.68 1.01 0.55 -4.90 120.40 122.95 2gm2 s VAL 41 Ca 0.06 -2.14 0.27 0.00 0.00 0.00 0.00 61.98 60.18 2gm2 s VAL 41 Cb -0.16 -4.08 0.42 0.00 0.00 0.00 0.00 36.38 32.56 2gm2 s VAL 41 CO 0.07 -0.90 1.64 -1.84 0.00 0.00 0.00 175.10 174.07 2gm2 n GLU 42 N 4.45 1.43 -3.62 2.72 -0.00 -1.26 0.13 120.64 124.49 2gm2 n GLU 42 Ca 0.00 -0.88 -0.38 0.00 -0.00 0.00 0.00 57.16 55.91 2gm2 n GLU 42 Cb 0.42 -1.48 -0.07 0.00 -0.00 0.00 0.00 31.44 30.31 2gm2 n GLU 42 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2gm2 s HIS 43 N -2.17 3.66 -0.30 -1.84 3.76 -1.26 -4.66 115.29 112.47 2gm2 s HIS 43 Ca 0.32 -2.72 0.02 0.00 -0.15 0.00 0.00 55.06 52.53 2gm2 s HIS 43 Cb 0.20 -3.33 0.09 0.00 1.11 0.00 0.00 32.58 30.65 2gm2 s HIS 43 CO 0.40 -0.83 0.01 -0.46 -0.85 0.00 0.00 174.74 173.01 2gm2 s TRP 44 N -0.55 3.04 0.00 1.40 -0.00 -1.07 -5.01 118.94 116.76 2gm2 s TRP 44 Ca 0.21 -2.42 -0.03 0.00 -0.00 0.00 0.00 56.10 53.87 2gm2 s TRP 44 Cb -0.14 -2.28 -0.12 0.00 -0.00 0.00 0.00 33.47 30.92 2gm2 s TRP 44 CO -0.07 -0.89 2.58 -0.35 -0.00 0.00 0.00 176.95 178.22 2gm2 n PRO 45 N 4.47 1.36 -3.86 5.86 -0.04 -1.26 -4.44 135.00 137.09 2gm2 n PRO 45 Ca -0.03 -0.46 -0.36 0.00 -0.04 0.00 0.00 63.50 62.61 2gm2 n PRO 45 Cb 0.42 -1.51 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 2gm2 n PRO 45 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gm2 s VAL 46 N 0.70 3.32 -0.73 0.52 1.01 -1.26 -5.06 120.40 118.89 2gm2 s VAL 46 Ca 0.31 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 2gm2 s VAL 46 Cb 0.15 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.81 2gm2 s VAL 46 CO 0.00 0.03 1.13 -2.16 0.00 0.00 0.00 175.10 174.10 2gm2 s PRO 47 N 1.36 3.21 2.70 2.72 0.05 -1.26 -4.74 135.00 139.04 2gm2 s PRO 47 Ca -0.01 -0.70 0.00 0.00 0.05 0.00 0.00 61.00 60.34 2gm2 s PRO 47 Cb -0.18 -4.34 0.00 0.00 0.05 0.00 0.00 34.50 30.03 2gm2 s PRO 47 CO -0.01 -1.97 0.00 0.45 0.05 0.00 0.00 177.00 175.53 2gm2 n SER 48 N 8.33 -2.40 -0.23 6.66 2.88 -1.26 -3.41 113.62 124.20 2gm2 n SER 48 Ca 0.03 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.70 2gm2 n SER 48 Cb 0.47 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.57 2gm2 n SER 48 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2gm2 n LEU 49 N 0.00 0.71 -4.71 2.46 4.77 -1.26 -4.60 117.00 114.37 2gm2 n LEU 49 Ca 0.00 -0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.31 2gm2 n LEU 49 Cb 0.00 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2gm2 n LEU 49 CO 0.00 0.13 0.56 -0.83 -1.33 0.00 0.00 177.39 175.93 2gm2 s GLY 50 N -1.82 2.65 0.00 -0.72 0.00 -1.22 -3.11 107.32 103.10 2gm2 s GLY 50 Ca 0.38 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.40 2gm2 s GLY 50 CO 0.30 1.50 0.00 -0.18 0.00 0.00 0.00 173.10 174.72 2gm2 n GLN 51 N 4.10 -0.05 -2.34 2.90 7.27 -1.26 -4.45 117.38 123.55 2gm2 n GLN 51 Ca 0.03 0.01 -0.39 0.00 0.07 0.00 0.00 57.00 56.72 2gm2 n GLN 51 Cb 0.51 -2.95 -0.03 0.00 2.41 0.00 0.00 30.24 30.17 2gm2 n GLN 51 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2gm2 s LEU 52 N 0.00 3.24 0.21 1.69 2.96 -1.18 -4.65 118.68 120.95 2gm2 s LEU 52 Ca 0.00 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 2gm2 s LEU 52 Cb 0.00 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 2gm2 s LEU 52 CO 0.00 -2.05 0.27 -1.10 -1.32 0.00 0.00 176.35 172.15 2gm2 s GLN 53 N 6.19 1.31 0.63 1.98 -0.21 -1.26 -4.19 119.66 124.12 2gm2 s GLN 53 Ca 0.49 -1.44 0.22 0.00 0.02 0.00 0.00 55.36 54.65 2gm2 s GLN 53 Cb -0.09 0.35 1.03 0.00 1.00 0.00 0.00 33.01 35.31 2gm2 s GLN 53 CO 0.13 -0.48 1.55 -1.35 -2.12 0.00 0.00 175.29 173.02 2gm2 h PRO 54 N 2.49 0.00 0.65 2.91 0.11 -1.91 0.16 132.00 136.41 2gm2 h PRO 54 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 2gm2 h PRO 54 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2gm2 h PRO 54 CO 0.46 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 177.88 2gm2 h ALA 55 N 0.86 -0.97 -0.08 -0.75 0.00 -1.95 -1.51 119.26 114.85 2gm2 h ALA 55 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2gm2 h ALA 55 Cb 1.64 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2gm2 h ALA 55 CO -0.00 -1.06 0.00 0.72 0.00 0.00 0.00 179.25 178.91 2gm2 n HIS 56 N -5.52 0.07 0.92 0.00 8.25 -0.40 -3.34 115.22 115.21 2gm2 n HIS 56 Ca -0.13 -0.04 0.11 0.00 -0.26 0.00 0.00 57.72 57.40 2gm2 n HIS 56 Cb 0.40 0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.82 2gm2 n HIS 56 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2gm2 n MET 57 N 1.12 2.02 -0.29 -0.41 0.00 0.43 -4.43 117.12 115.56 2gm2 n MET 57 Ca 0.16 -1.54 0.03 0.00 0.00 0.00 0.00 57.70 56.35 2gm2 n MET 57 Cb 0.55 -1.44 0.18 0.00 0.00 0.00 0.00 33.22 32.50 2gm2 n MET 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 2gm2 h ASP 58 N 3.13 0.67 -0.90 6.12 3.58 -1.27 -0.52 116.42 127.22 2gm2 h ASP 58 Ca 0.00 0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.58 2gm2 h ASP 58 Cb 0.68 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.59 2gm2 h ASP 58 CO 0.00 0.37 0.56 0.00 -2.88 0.00 0.00 179.24 177.29 2gm2 h ALA 59 N 1.47 1.28 -0.30 -0.78 0.00 -1.87 0.51 119.26 119.57 2gm2 h ALA 59 Ca 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 2gm2 h ALA 59 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2gm2 h ALA 59 CO -0.26 0.25 -0.21 0.28 0.00 0.00 0.00 179.25 179.31 2gm2 h VAL 60 N 0.97 1.30 0.00 0.00 2.07 -1.46 -2.68 116.25 116.45 2gm2 h VAL 60 Ca 0.41 -1.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 2gm2 h VAL 60 Cb 0.28 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2gm2 h VAL 60 CO -0.21 0.43 -0.40 -0.07 0.02 0.00 0.00 177.57 177.35 2gm2 h LEU 61 N 0.43 0.00 -0.29 2.57 3.38 -0.39 0.95 115.31 121.95 2gm2 h LEU 61 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2gm2 h LEU 61 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2gm2 h LEU 61 CO 0.06 0.40 -0.17 0.00 0.09 0.00 0.00 178.44 178.81 2gm2 h ALA 62 N 1.60 0.42 -0.18 1.53 0.00 0.09 -2.97 119.26 119.75 2gm2 h ALA 62 Ca -0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2gm2 h ALA 62 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2gm2 h ALA 62 CO 0.05 0.33 -0.53 -0.07 0.00 0.00 0.00 179.25 179.03 2gm2 h LEU 63 N 0.38 0.59 -2.54 0.00 3.38 -1.29 -3.49 115.31 112.34 2gm2 h LEU 63 Ca 0.06 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2gm2 h LEU 63 Cb 0.70 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2gm2 h LEU 63 CO 0.05 1.01 -0.74 -3.20 0.09 0.00 0.00 178.44 175.65 2gm2 n ASN 64 N -3.96 -7.48 -3.92 -0.43 5.15 0.31 -5.03 115.26 99.91 2gm2 n ASN 64 Ca -0.03 0.56 -0.23 0.00 -0.60 0.00 0.00 54.58 54.29 2gm2 n ASN 64 Cb 0.59 -4.54 0.14 0.00 -0.53 0.00 0.00 39.78 35.44 2gm2 n ASN 64 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2gm2 n PRO 65 N -0.03 -0.59 -0.08 1.20 -0.04 -1.26 -5.05 135.00 129.16 2gm2 n PRO 65 Ca 0.06 -2.06 -0.21 0.00 -0.04 0.00 0.00 63.50 61.25 2gm2 n PRO 65 Cb 0.42 -0.89 -0.13 0.00 -0.04 0.00 0.00 33.50 32.87 2gm2 n PRO 65 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gm2 n ALA 66 N -3.34 1.15 -2.80 0.55 0.00 -0.22 -4.96 120.51 110.89 2gm2 n ALA 66 Ca -0.17 -0.86 -0.15 0.00 0.00 0.00 0.00 53.44 52.27 2gm2 n ALA 66 Cb 0.51 -0.34 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 2gm2 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2gm2 s VAL 67 N -2.52 0.43 -0.12 0.00 0.11 -1.06 -3.23 120.40 114.00 2gm2 s VAL 67 Ca -0.30 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.29 2gm2 s VAL 67 Cb 0.08 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 2gm2 s VAL 67 CO 0.66 -0.04 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.63 2gm2 s ILE 68 N -0.49 1.38 -0.48 7.04 1.01 0.68 0.07 121.20 130.40 2gm2 s ILE 68 Ca -0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 2gm2 s ILE 68 Cb -0.04 -1.31 0.06 0.00 0.01 0.00 0.00 42.46 41.18 2gm2 s ILE 68 CO -0.00 0.42 0.48 -0.76 0.00 0.00 0.00 174.94 175.09 2gm2 s LEU 69 N 1.35 5.29 -0.31 2.97 1.43 0.22 -1.37 118.68 128.26 2gm2 s LEU 69 Ca 0.01 -1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 51.82 2gm2 s LEU 69 Cb -0.13 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 2gm2 s LEU 69 CO -0.07 -0.73 0.55 -0.22 0.23 0.00 0.00 176.35 176.12 2gm2 s LEU 70 N 2.06 4.19 -0.52 1.79 2.96 0.34 -1.50 118.68 127.99 2gm2 s LEU 70 Ca 0.09 0.27 -0.17 0.00 -0.22 0.00 0.00 54.13 54.10 2gm2 s LEU 70 Cb -0.21 -2.68 0.09 0.00 0.50 0.00 0.00 46.19 43.88 2gm2 s LEU 70 CO 0.09 -0.43 0.55 -0.83 -1.32 0.00 0.00 176.35 174.41 2gm2 s GLY 71 N 1.67 1.93 -1.39 7.98 0.00 -0.05 -0.37 107.32 117.10 2gm2 s GLY 71 Ca 0.21 -2.15 -0.09 0.00 0.00 0.00 0.00 44.72 42.70 2gm2 s GLY 71 CO 0.12 1.31 2.31 -1.30 0.00 0.00 0.00 173.10 175.53 2gm2 n THR 72 N 5.39 4.53 0.00 0.90 -2.24 0.81 -0.26 114.28 123.42 2gm2 n THR 72 Ca -0.11 -3.84 0.00 0.00 -2.27 0.00 0.00 64.05 57.84 2gm2 n THR 72 Cb 0.43 -2.34 0.00 0.00 -2.10 0.00 0.00 70.33 66.32 2gm2 n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gm2 n GLY 73 N 2.75 3.42 0.68 3.38 0.00 -0.20 -1.58 105.19 113.63 2gm2 n GLY 73 Ca 0.57 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.62 2gm2 n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gm2 n GLU 74 N 14.00 1.66 -3.48 1.61 4.07 -1.26 -0.85 120.64 136.39 2gm2 n GLU 74 Ca 0.00 -3.17 -0.20 0.00 -0.06 0.00 0.00 57.16 53.74 2gm2 n GLU 74 Cb 0.00 -1.66 -0.13 0.00 -0.06 0.00 0.00 31.44 29.59 2gm2 n GLU 74 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2gm2 s ARG 75 N -3.18 0.21 -0.31 5.31 3.52 -0.62 -5.03 118.95 118.85 2gm2 s ARG 75 Ca 0.39 0.03 -0.28 0.00 -0.13 0.00 0.00 55.73 55.73 2gm2 s ARG 75 Cb 0.37 -1.12 -0.02 0.00 -1.56 0.00 0.00 34.95 32.61 2gm2 s ARG 75 CO -0.03 -0.78 1.87 -1.14 -0.81 0.00 0.00 175.30 174.40 2gm2 s GLN 76 N 2.30 3.30 0.03 5.12 0.74 -1.26 -4.69 119.66 125.20 2gm2 s GLN 76 Ca 0.07 1.52 0.03 0.00 0.05 0.00 0.00 55.36 57.04 2gm2 s GLN 76 Cb -0.15 -4.23 -0.02 0.00 1.10 0.00 0.00 33.01 29.71 2gm2 s GLN 76 CO -0.19 -1.90 -0.09 -1.14 -0.55 0.00 0.00 175.29 171.41 2gm2 s GLN 77 N 5.78 0.63 0.30 1.67 0.74 -1.26 -5.10 119.66 122.42 2gm2 s GLN 77 Ca 0.83 -0.65 -0.28 0.00 0.05 0.00 0.00 55.36 55.32 2gm2 s GLN 77 Cb -0.24 -0.52 -0.09 0.00 1.10 0.00 0.00 33.01 33.26 2gm2 s GLN 77 CO 0.34 0.12 1.03 -0.59 -0.55 0.00 0.00 175.29 175.64 2gm2 s PHE 78 N -0.96 3.62 0.10 1.67 -0.71 -1.26 -4.94 117.98 115.49 2gm2 s PHE 78 Ca -0.04 1.75 -0.02 0.00 -1.04 0.00 0.00 56.93 57.59 2gm2 s PHE 78 Cb -0.08 -3.13 0.02 0.00 -1.21 0.00 0.00 43.02 38.63 2gm2 s PHE 78 CO 0.01 -0.23 0.12 -2.30 -1.34 0.00 0.00 175.22 171.48 2gm2 n PRO 79 N 0.89 -0.31 -2.28 1.99 -0.02 -1.26 -5.03 135.00 128.97 2gm2 n PRO 79 Ca 0.00 -0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 60.95 2gm2 n PRO 79 Cb 0.47 -0.13 -0.00 0.00 -0.02 0.00 0.00 33.50 33.82 2gm2 n PRO 79 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2gm2 s SER 80 N -1.51 5.82 0.37 2.55 0.15 -1.26 -4.93 113.70 114.89 2gm2 s SER 80 Ca 0.07 2.10 0.07 0.00 0.70 0.00 0.00 55.95 58.89 2gm2 s SER 80 Cb -0.00 -2.57 0.78 0.00 -1.71 0.00 0.00 66.02 62.51 2gm2 s SER 80 CO 0.05 -1.15 1.96 0.74 1.20 0.00 0.00 173.24 176.04 2gm2 h THR 81 N 1.18 1.00 0.00 6.45 2.02 -1.96 -1.04 112.91 120.57 2gm2 h THR 81 Ca -0.50 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 2gm2 h THR 81 Cb 1.25 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2gm2 h THR 81 CO 0.57 0.13 -0.32 0.44 0.37 0.00 0.00 175.52 176.72 2gm2 h ASP 82 N 0.71 0.00 -0.24 4.18 3.32 -1.92 -1.55 116.42 120.92 2gm2 h ASP 82 Ca 0.31 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 2gm2 h ASP 82 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2gm2 h ASP 82 CO -0.10 0.32 -0.24 0.58 -1.72 0.00 0.00 179.24 178.07 2gm2 h VAL 83 N 0.00 1.32 -0.49 -1.35 2.07 -1.47 -1.07 116.25 115.25 2gm2 h VAL 83 Ca -0.00 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 2gm2 h VAL 83 Cb 0.64 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2gm2 h VAL 83 CO 0.04 0.44 0.22 -0.07 0.02 0.00 0.00 177.57 178.22 2gm2 h LEU 84 N 0.30 0.66 -0.68 2.57 3.38 -1.28 -2.13 115.31 118.13 2gm2 h LEU 84 Ca 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2gm2 h LEU 84 Cb 0.80 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2gm2 h LEU 84 CO 0.06 0.62 0.38 0.00 0.09 0.00 0.00 178.44 179.59 2gm2 h ALA 85 N 1.06 0.87 -0.43 1.53 0.00 -1.25 0.12 119.26 121.16 2gm2 h ALA 85 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2gm2 h ALA 85 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2gm2 h ALA 85 CO -0.02 0.37 0.21 0.00 0.00 0.00 0.00 179.25 179.81 2gm2 h ALA 86 N 1.19 1.57 0.11 0.00 0.00 -0.87 -1.03 119.26 120.22 2gm2 h ALA 86 Ca 0.24 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 2gm2 h ALA 86 Cb 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2gm2 h ALA 86 CO -0.04 0.35 -0.75 0.00 0.00 0.00 0.00 179.25 178.82 2gm2 h LEU 88 N -0.51 0.65 -1.84 0.00 3.38 -0.60 0.20 115.31 116.60 2gm2 h LEU 88 Ca -0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2gm2 h LEU 88 Cb 1.52 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 2gm2 h LEU 88 CO 0.10 0.62 -0.13 0.71 0.09 0.00 0.00 178.44 179.83 2gm2 h THR 89 N 0.69 0.88 0.00 0.22 1.35 -1.33 -2.08 112.91 112.65 2gm2 h THR 89 Ca 0.16 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2gm2 h THR 89 Cb 0.21 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2gm2 h THR 89 CO -0.01 0.13 -1.27 0.54 -0.25 0.00 0.00 175.52 174.66 2gm2 n ARG 90 N -4.07 0.70 -1.53 4.72 1.74 -0.91 -4.98 116.66 112.33 2gm2 n ARG 90 Ca -0.02 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2gm2 n ARG 90 Cb 0.22 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2gm2 n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gm2 n GLY 91 N 1.43 0.61 3.70 -0.13 0.00 0.17 -5.03 105.19 105.93 2gm2 n GLY 91 Ca 0.01 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2gm2 n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gm2 s ILE 92 N -2.00 4.84 -0.71 -0.61 1.01 0.46 -4.97 121.20 119.22 2gm2 s ILE 92 Ca 0.00 1.99 -0.26 0.00 0.00 0.00 0.00 60.65 62.38 2gm2 s ILE 92 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.18 2gm2 s ILE 92 CO 0.00 0.08 1.62 -0.83 0.00 0.00 0.00 174.94 175.81 2gm2 s GLY 93 N 1.05 0.52 -0.58 6.18 0.00 -1.20 -4.51 107.32 108.78 2gm2 s GLY 93 Ca 0.49 -1.09 -0.17 0.00 0.00 0.00 0.00 44.72 43.95 2gm2 s GLY 93 CO 0.22 3.09 0.57 -2.27 0.00 0.00 0.00 173.10 174.71 2gm2 s LEU 94 N 7.64 6.03 -0.42 0.66 2.96 -1.26 -0.23 118.68 134.05 2gm2 s LEU 94 Ca 0.54 -1.77 -0.15 0.00 -0.22 0.00 0.00 54.13 52.52 2gm2 s LEU 94 Cb -0.10 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.39 2gm2 s LEU 94 CO 0.15 -0.90 0.33 -1.61 -1.32 0.00 0.00 176.35 173.00 2gm2 s GLU 95 N 1.77 2.99 -0.41 1.98 0.41 -0.47 -4.95 118.70 120.02 2gm2 s GLU 95 Ca 0.06 -1.02 -0.21 0.00 -0.41 0.00 0.00 54.97 53.39 2gm2 s GLU 95 Cb -0.27 -4.00 0.02 0.00 -1.78 0.00 0.00 34.13 28.10 2gm2 s GLU 95 CO 0.03 -0.80 0.68 0.00 -0.49 0.00 0.00 175.26 174.67 2gm2 s ALA 96 N 1.74 3.38 0.30 5.21 0.00 -1.26 -0.50 121.76 130.63 2gm2 s ALA 96 Ca 0.06 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2gm2 s ALA 96 Cb -0.19 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2gm2 s ALA 96 CO 0.10 -1.64 0.24 -1.33 0.00 0.00 0.00 175.76 173.13 2gm2 n MET 97 N 6.28 0.39 -1.64 0.00 2.81 0.51 -4.88 117.12 120.59 2gm2 n MET 97 Ca -0.00 -3.01 -0.30 0.00 -1.81 0.00 0.00 57.70 52.57 2gm2 n MET 97 Cb 0.48 2.39 0.06 0.00 -0.71 0.00 0.00 33.22 35.45 2gm2 n MET 97 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2gm2 s THR 98 N -3.19 3.66 0.33 2.03 -4.23 -1.26 -0.13 115.64 112.84 2gm2 s THR 98 Ca 0.34 0.54 0.05 0.00 -1.18 0.00 0.00 61.69 61.44 2gm2 s THR 98 Cb 0.02 -3.34 0.30 0.00 1.34 0.00 0.00 72.50 70.82 2gm2 s THR 98 CO 0.24 -0.70 1.90 -0.55 -0.54 0.00 0.00 174.62 174.97 2gm2 h ASN 99 N -0.81 0.75 1.45 3.99 7.08 -1.27 0.11 115.58 126.88 2gm2 h ASN 99 Ca -0.45 0.02 -0.06 0.00 -3.08 0.00 0.00 56.30 52.73 2gm2 h ASN 99 Cb 1.24 -0.13 -0.01 0.00 -2.08 0.00 0.00 38.32 37.33 2gm2 h ASN 99 CO 0.59 0.44 -0.30 0.00 -2.08 0.00 0.00 177.43 176.09 2gm2 h ALA 100 N 1.57 0.85 0.11 4.14 0.00 -1.92 -1.84 119.26 122.17 2gm2 h ALA 100 Ca 0.40 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2gm2 h ALA 100 Cb 0.44 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2gm2 h ALA 100 CO -0.17 0.37 -0.87 0.00 0.00 0.00 0.00 179.25 178.58 2gm2 h ALA 101 N 1.70 -0.00 -0.77 0.00 0.00 -1.56 -3.10 119.26 115.54 2gm2 h ALA 101 Ca -0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 2gm2 h ALA 101 Cb 1.10 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2gm2 h ALA 101 CO 0.04 0.45 0.35 0.00 0.00 0.00 0.00 179.25 180.09 2gm2 h ALA 102 N 0.01 1.00 -0.47 0.00 0.00 -0.86 -2.01 119.26 116.93 2gm2 h ALA 102 Ca -0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2gm2 h ALA 102 Cb 1.57 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2gm2 h ALA 102 CO 0.09 0.58 0.21 0.00 0.00 0.00 0.00 179.25 180.13 2gm2 h ALA 103 N 1.18 1.48 -0.19 0.00 0.00 -1.46 0.57 119.26 120.84 2gm2 h ALA 103 Ca 0.26 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2gm2 h ALA 103 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2gm2 h ALA 103 CO -0.03 0.41 -0.02 -0.09 0.00 0.00 0.00 179.25 179.51 2gm2 h ARG 104 N 0.66 0.35 -0.26 0.00 9.65 -1.30 -2.97 114.38 120.51 2gm2 h ARG 104 Ca 0.16 -0.13 -0.10 0.00 -1.10 0.00 0.00 59.98 58.82 2gm2 h ARG 104 Cb 0.10 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2gm2 h ARG 104 CO -0.02 0.59 -0.27 1.15 2.80 0.00 0.00 179.97 184.22 2gm2 h THR 105 N 0.09 1.27 -0.57 0.20 2.02 -1.05 -2.96 112.91 111.91 2gm2 h THR 105 Ca 0.05 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 65.92 2gm2 h THR 105 Cb 0.44 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 2gm2 h THR 105 CO 0.01 0.42 0.38 0.22 0.37 0.00 0.00 175.52 176.92 2gm2 h TYR 106 N 0.45 0.71 0.00 3.16 3.20 -0.79 -0.04 116.97 123.66 2gm2 h TYR 106 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2gm2 h TYR 106 Cb 0.71 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2gm2 h TYR 106 CO 0.02 0.45 0.00 -0.91 -1.64 0.00 0.00 178.16 176.08 2gm2 h ASN 107 N 0.76 0.00 0.03 -2.11 2.35 -1.36 -1.66 115.58 113.60 2gm2 h ASN 107 Ca 0.21 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.65 2gm2 h ASN 107 Cb -0.08 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 2gm2 h ASN 107 CO -0.05 0.00 -1.68 0.52 -1.65 0.00 0.00 177.43 174.58 2gm2 n VAL 108 N -2.99 1.60 0.29 2.81 0.31 -0.17 -4.24 118.33 115.93 2gm2 n VAL 108 Ca -0.00 -0.26 0.17 0.00 -0.01 0.00 0.00 64.34 64.24 2gm2 n VAL 108 Cb 0.24 -1.91 0.82 0.00 -0.91 0.00 0.00 33.84 32.08 2gm2 n VAL 108 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2gm2 h LEU 109 N -0.67 0.00 -1.98 7.52 3.38 -1.06 -2.38 115.31 120.12 2gm2 h LEU 109 Ca -0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2gm2 h LEU 109 Cb 1.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 2gm2 h LEU 109 CO -0.15 0.05 -0.03 0.00 0.09 0.00 0.00 178.44 178.40 2gm2 h ALA 110 N 1.95 1.90 0.00 1.53 0.00 -1.48 -1.11 119.26 122.05 2gm2 h ALA 110 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2gm2 h ALA 110 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2gm2 h ALA 110 CO 0.01 0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.73 2gm2 n SER 111 N -4.44 0.29 0.07 0.00 7.64 -0.89 -2.66 113.62 113.63 2gm2 n SER 111 Ca -0.03 0.54 -0.13 0.00 1.01 0.00 0.00 58.87 60.26 2gm2 n SER 111 Cb 0.12 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.57 2gm2 n SER 111 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2gm2 h GLU 112 N 0.00 0.16 -0.01 1.43 4.57 -1.35 -3.48 114.58 115.91 2gm2 h GLU 112 Ca 0.00 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2gm2 h GLU 112 Cb 0.49 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2gm2 h GLU 112 CO 0.00 1.08 -0.00 0.41 -1.18 0.00 0.00 179.01 179.31 2gm2 n GLY 113 N 1.51 0.47 3.90 1.92 0.00 -1.09 -4.96 105.19 106.94 2gm2 n GLY 113 Ca -0.08 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 2gm2 n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gm2 s ARG 114 N -0.57 3.46 -0.91 1.61 0.52 -1.26 -4.16 118.95 117.64 2gm2 s ARG 114 Ca 0.00 0.35 -0.24 0.00 -0.52 0.00 0.00 55.73 55.31 2gm2 s ARG 114 Cb 0.00 -2.26 0.02 0.00 0.52 0.00 0.00 34.95 33.23 2gm2 s ARG 114 CO 0.00 -0.41 1.52 1.03 0.02 0.00 0.00 175.30 177.47 2gm2 s ARG 115 N -4.93 3.26 -0.21 3.54 0.52 -1.26 -4.95 118.95 114.93 2gm2 s ARG 115 Ca 0.51 -0.67 -0.10 0.00 -0.52 0.00 0.00 55.73 54.95 2gm2 s ARG 115 Cb -0.11 -4.98 -0.05 0.00 0.52 0.00 0.00 34.95 30.33 2gm2 s ARG 115 CO 0.48 -2.43 0.13 0.54 0.02 0.00 0.00 175.30 174.04 2gm2 s VAL 116 N 6.29 5.38 -0.47 3.52 0.11 -1.26 -1.05 120.40 132.93 2gm2 s VAL 116 Ca 0.49 0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 59.55 2gm2 s VAL 116 Cb -0.04 -3.47 0.05 0.00 -1.53 0.00 0.00 36.38 31.40 2gm2 s VAL 116 CO -0.01 0.42 0.49 0.00 -3.33 0.00 0.00 175.10 172.67 2gm2 s ALA 117 N 0.48 3.45 -1.07 1.54 0.00 0.11 -4.51 121.76 121.77 2gm2 s ALA 117 Ca 0.08 -1.78 -0.18 0.00 0.00 0.00 0.00 51.96 50.08 2gm2 s ALA 117 Cb -0.11 -3.16 0.13 0.00 0.00 0.00 0.00 23.12 19.97 2gm2 s ALA 117 CO -0.01 -1.77 1.33 -1.17 0.00 0.00 0.00 175.76 174.13 2gm2 s LEU 118 N 2.15 4.74 -0.68 0.00 2.96 0.13 -0.61 118.68 127.36 2gm2 s LEU 118 Ca 0.10 -2.32 -0.16 0.00 -0.22 0.00 0.00 54.13 51.53 2gm2 s LEU 118 Cb -0.20 -2.44 0.15 0.00 0.50 0.00 0.00 46.19 44.20 2gm2 s LEU 118 CO 0.11 -1.03 0.70 0.00 -1.32 0.00 0.00 176.35 174.81 2gm2 s ALA 119 N 2.76 3.71 -0.20 5.97 0.00 -0.57 -0.12 121.76 133.32 2gm2 s ALA 119 Ca 0.40 -2.74 -0.03 0.00 0.00 0.00 0.00 51.96 49.59 2gm2 s ALA 119 Cb -0.03 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2gm2 s ALA 119 CO -0.05 -2.28 -0.06 -1.64 0.00 0.00 0.00 175.76 171.73 2gm2 s MET 120 N 1.50 3.38 -0.59 0.00 -1.94 -0.40 -0.87 119.30 120.38 2gm2 s MET 120 Ca 0.13 -0.64 -0.20 0.00 -1.71 0.00 0.00 55.69 53.27 2gm2 s MET 120 Cb -0.20 -2.92 0.08 0.00 2.01 0.00 0.00 34.83 33.80 2gm2 s MET 120 CO -0.01 -0.10 0.78 0.42 -0.01 0.00 0.00 175.02 176.10 2gm2 s ILE 121 N 1.21 4.65 -0.01 2.53 1.01 0.65 -1.76 121.20 129.48 2gm2 s ILE 121 Ca 0.02 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2gm2 s ILE 121 Cb -0.14 -4.52 -0.05 0.00 0.01 0.00 0.00 42.46 37.76 2gm2 s ILE 121 CO -0.02 -1.17 0.61 -0.69 0.00 0.00 0.00 174.94 173.67 2gm2 s VAL 122 N 3.18 4.93 -5.00 2.92 1.01 -1.00 -1.04 120.40 125.40 2gm2 s VAL 122 Ca 0.17 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.41 2gm2 s VAL 122 Cb -0.20 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2gm2 s VAL 122 CO 0.09 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2gm2 n GLY 123 N 2.54 0.15 0.00 4.51 0.00 -1.26 -3.95 105.19 107.17 2gm2 n GLY 123 Ca -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2gm2 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gm2 n GLY 124 N 0.00 -0.54 2.58 -0.02 0.00 -1.26 -4.18 105.19 101.77 2gm2 n GLY 124 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 2gm2 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gm2 n LEU 125 N 0.00 -6.86 -0.36 0.99 4.77 -1.26 -4.97 117.00 109.31 2gm2 n LEU 125 Ca 0.00 1.69 0.09 0.00 -0.03 0.00 0.00 56.01 57.76 2gm2 n LEU 125 Cb 0.00 -3.17 0.18 0.00 -2.33 0.00 0.00 43.42 38.11 2gm2 n LEU 125 CO 0.00 -3.33 0.62 -0.62 -1.33 0.00 0.00 177.39 172.72 2gm2 n GLU 126 N 1.05 1.84 0.00 3.23 4.71 -1.26 -4.71 120.64 125.50 2gm2 n GLU 126 Ca -0.17 -2.68 0.07 0.00 -0.01 0.00 0.00 57.16 54.37 2gm2 n GLU 126 Cb 0.26 -1.62 0.40 0.00 -1.01 0.00 0.00 31.44 29.47 2gm2 n GLU 126 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2gm2 n HIS 127 N -1.12 0.00 0.22 -0.32 1.44 -1.26 -0.28 115.22 113.90 2gm2 n HIS 127 Ca 0.18 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.96 2gm2 n HIS 127 Cb 0.73 -0.20 0.51 0.00 0.12 0.00 0.00 29.99 31.15 2gm2 n HIS 127 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2gm2 h HIS 128 N 0.00 0.00 -2.59 -1.40 6.17 -2.01 -3.32 115.15 111.99 2gm2 h HIS 128 Ca 0.00 0.00 -0.60 0.00 0.71 0.00 0.00 60.37 60.48 2gm2 h HIS 128 Cb 0.10 0.00 -0.39 0.00 2.52 0.00 0.00 27.41 29.64 2gm2 h HIS 128 CO 0.00 0.25 -0.85 -1.58 0.71 0.00 0.00 177.93 176.46 2gm2 s HIS 129 N -4.18 1.80 -0.21 5.26 5.65 0.62 -5.08 115.29 119.15 2gm2 s HIS 129 Ca -0.03 -2.59 -0.01 0.00 0.25 0.00 0.00 55.06 52.68 2gm2 s HIS 129 Cb 0.14 -1.45 0.06 0.00 -1.18 0.00 0.00 32.58 30.15 2gm2 s HIS 129 CO 0.66 -0.75 0.00 -1.58 -0.65 0.00 0.00 174.74 172.43 2gm2 s HIS 130 N -0.32 1.56 0.29 3.88 2.46 -1.24 -4.94 115.29 116.99 2gm2 s HIS 130 Ca 0.30 -1.22 0.01 0.00 0.47 0.00 0.00 55.06 54.62 2gm2 s HIS 130 Cb -0.00 -1.25 -0.03 0.00 -0.13 0.00 0.00 32.58 31.16 2gm2 s HIS 130 CO -0.17 -0.68 0.46 -3.38 -2.47 0.00 0.00 174.74 168.50 2gm2 s HIS 131 N 1.68 3.48 -2.19 3.88 -3.43 -1.26 -5.06 115.29 112.38 2gm2 s HIS 131 Ca -0.03 0.25 0.30 0.00 -0.80 0.00 0.00 55.06 54.79 2gm2 s HIS 131 Cb -0.18 -1.80 1.57 0.00 -1.43 0.00 0.00 32.58 30.75 2gm2 s HIS 131 CO -0.08 0.26 2.04 1.58 -2.00 0.00 0.00 174.74 176.55