#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gm2 n PRO 2 N 0.00 -0.59 -1.48 3.17 -0.04 -1.26 -4.94 135.00 129.87 2gm2 n PRO 2 Ca 0.00 -1.37 -0.34 0.00 -0.04 0.00 0.00 63.50 61.75 2gm2 n PRO 2 Cb 0.00 -0.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.66 2gm2 n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2gm2 n LEU 3 N 0.00 7.82 0.00 1.53 4.32 -1.26 -4.88 117.00 124.53 2gm2 n LEU 3 Ca 0.10 -4.31 0.00 0.00 -0.02 0.00 0.00 56.01 51.78 2gm2 n LEU 3 Cb 0.36 -1.45 0.00 0.00 -1.62 0.00 0.00 43.42 40.71 2gm2 n LEU 3 CO 0.26 1.98 0.00 0.59 -1.22 0.00 0.00 177.39 179.00 2gm2 n ASN 4 N 2.62 0.00 -3.13 -1.43 4.13 -1.26 -4.79 115.26 111.40 2gm2 n ASN 4 Ca 0.66 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.88 2gm2 n ASN 4 Cb 0.37 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.62 2gm2 n ASN 4 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2gm2 n GLN 5 N 0.00 -1.46 -0.94 3.52 6.02 -1.26 -5.05 117.38 118.21 2gm2 n GLN 5 Ca 0.00 1.36 0.00 0.00 -0.01 0.00 0.00 57.00 58.35 2gm2 n GLN 5 Cb 0.00 -5.59 0.00 0.00 1.02 0.00 0.00 30.24 25.67 2gm2 n GLN 5 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2gm2 n GLU 6 N -2.06 1.90 -0.60 -1.09 1.02 -1.26 -5.10 120.64 113.44 2gm2 n GLU 6 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2gm2 n GLU 6 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 2gm2 n GLU 6 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2gm2 n HIS 7 N 0.00 -1.51 -2.08 -0.32 8.25 -1.26 -4.90 115.22 113.39 2gm2 n HIS 7 Ca 0.00 0.79 -0.42 0.00 -0.26 0.00 0.00 57.72 57.83 2gm2 n HIS 7 Cb 0.00 -2.20 -0.03 0.00 1.12 0.00 0.00 29.99 28.88 2gm2 n HIS 7 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2gm2 s PRO 8 N -3.37 4.23 -0.25 -0.41 0.02 -1.26 -5.00 135.00 128.96 2gm2 s PRO 8 Ca 0.00 2.13 -0.06 0.00 0.02 0.00 0.00 61.00 63.08 2gm2 s PRO 8 Cb 0.00 -3.70 -0.02 0.00 0.02 0.00 0.00 34.50 30.80 2gm2 s PRO 8 CO 0.00 -0.70 0.04 0.16 -0.33 0.00 0.00 177.00 176.17 2gm2 s ASP 9 N 2.45 4.93 -1.10 2.53 -4.77 -1.26 -5.04 116.67 114.41 2gm2 s ASP 9 Ca 0.69 -0.29 -0.15 0.00 -3.30 0.00 0.00 52.55 49.51 2gm2 s ASP 9 Cb -0.34 -1.88 0.17 0.00 -1.09 0.00 0.00 42.92 39.78 2gm2 s ASP 9 CO 0.29 -0.04 1.29 -0.72 0.70 0.00 0.00 175.17 176.68 2gm2 s TYR 10 N 1.58 3.46 -2.33 2.11 1.13 -1.26 -4.72 117.35 117.32 2gm2 s TYR 10 Ca 0.06 -1.96 0.21 0.00 -1.41 0.00 0.00 57.07 53.98 2gm2 s TYR 10 Cb -0.15 -4.24 0.70 0.00 -1.10 0.00 0.00 41.96 37.16 2gm2 s TYR 10 CO 0.02 -1.37 1.53 -2.37 -2.51 0.00 0.00 175.55 170.84 2gm2 n THR 11 N 4.69 0.24 -3.33 -3.49 5.66 -1.26 -4.78 114.28 112.01 2gm2 n THR 11 Ca 0.31 -0.40 -0.44 0.00 -3.05 0.00 0.00 64.05 60.47 2gm2 n THR 11 Cb 0.45 0.49 -0.08 0.00 -1.55 0.00 0.00 70.33 69.64 2gm2 n THR 11 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2gm2 s TYR 12 N -1.76 3.19 0.03 1.09 2.02 -1.26 -4.37 117.35 116.29 2gm2 s TYR 12 Ca 0.33 -0.76 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 2gm2 s TYR 12 Cb 0.18 -3.18 -0.02 0.00 -0.40 0.00 0.00 41.96 38.55 2gm2 s TYR 12 CO 0.27 -0.83 0.03 0.00 -1.57 0.00 0.00 175.55 173.46 2gm2 s ALA 13 N 1.92 0.06 0.12 3.71 0.00 -1.26 -4.97 121.76 121.34 2gm2 s ALA 13 Ca 0.07 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 2gm2 s ALA 13 Cb -0.22 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2gm2 s ALA 13 CO 0.09 -0.24 1.58 -0.07 0.00 0.00 0.00 175.76 177.12 2gm2 h LEU 14 N 4.09 0.63 0.00 0.00 -0.00 -1.96 -2.35 115.31 115.73 2gm2 h LEU 14 Ca -0.32 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.28 2gm2 h LEU 14 Cb 1.19 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2gm2 h LEU 14 CO 0.47 0.76 0.00 -1.14 -0.00 0.00 0.00 178.44 178.53 2gm2 n ARG 15 N -4.51 0.00 -3.75 1.13 0.63 -1.26 -3.82 116.66 105.09 2gm2 n ARG 15 Ca -0.01 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.63 2gm2 n ARG 15 Cb 0.25 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.01 2gm2 n ARG 15 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gm2 s ALA 16 N 0.00 1.39 -0.23 5.13 0.00 -1.26 -5.05 121.76 121.74 2gm2 s ALA 16 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2gm2 s ALA 16 Cb 0.00 -1.47 0.06 0.00 0.00 0.00 0.00 23.12 21.71 2gm2 s ALA 16 CO 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 175.76 174.24 2gm2 s ALA 17 N 1.69 1.87 -0.07 0.00 0.00 -1.26 -1.93 121.76 122.04 2gm2 s ALA 17 Ca 0.05 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.64 2gm2 s ALA 17 Cb -0.17 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2gm2 s ALA 17 CO -0.19 -1.20 -0.15 -0.40 0.00 0.00 0.00 175.76 173.82 2gm2 n ASP 18 N 4.71 0.88 0.00 0.00 5.68 -1.20 -4.42 116.55 122.20 2gm2 n ASP 18 Ca -0.11 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 2gm2 n ASP 18 Cb 0.44 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 2gm2 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2gm2 n GLY 19 N 1.65 0.06 0.04 6.12 0.00 -1.26 -3.95 105.19 107.85 2gm2 n GLY 19 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.65 -3.44 1.61 1.74 -1.26 -3.60 116.66 112.37 2gm2 n ARG 20 Ca 0.00 -0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 56.84 2gm2 n ARG 20 Cb 0.00 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 29.84 2gm2 n ARG 20 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2gm2 s HIS 21 N -3.35 -0.54 -0.06 -1.55 -3.43 -1.26 -3.79 115.29 101.31 2gm2 s HIS 21 Ca -0.07 0.40 0.01 0.00 -0.80 0.00 0.00 55.06 54.60 2gm2 s HIS 21 Cb 0.12 0.54 0.02 0.00 -1.43 0.00 0.00 32.58 31.83 2gm2 s HIS 21 CO 0.88 -0.80 -0.07 0.00 -2.00 0.00 0.00 174.74 172.75 2gm2 s ALA 22 N -3.43 0.93 -0.52 -1.38 0.00 -0.37 -3.20 121.76 113.79 2gm2 s ALA 22 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 2gm2 s ALA 22 Cb -0.01 -0.54 0.12 0.00 0.00 0.00 0.00 23.12 22.69 2gm2 s ALA 22 CO -0.10 -0.04 0.46 0.21 0.00 0.00 0.00 175.76 176.29 2gm2 s LYS 23 N 0.98 2.93 -0.39 0.00 2.20 -0.81 -0.13 119.74 124.52 2gm2 s LYS 23 Ca -0.10 -1.65 -0.23 0.00 -0.36 0.00 0.00 55.97 53.63 2gm2 s LYS 23 Cb -0.14 -4.22 0.01 0.00 -1.51 0.00 0.00 37.83 31.96 2gm2 s LYS 23 CO 0.00 -1.26 0.76 0.08 -0.36 0.00 0.00 175.35 174.57 2gm2 s VAL 24 N 1.58 4.74 0.00 4.02 1.01 0.52 -4.06 120.40 128.20 2gm2 s VAL 24 Ca 0.03 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2gm2 s VAL 24 Cb -0.29 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.88 2gm2 s VAL 24 CO 0.03 -0.49 0.00 -3.20 0.00 0.00 0.00 175.10 171.44 2gm2 n ASN 25 N 6.43 0.00 0.00 3.32 5.15 -0.88 -1.16 115.26 128.12 2gm2 n ASN 25 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2gm2 n ASN 25 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2gm2 n ASN 25 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2gm2 n GLU 26 N 0.00 0.00 -3.86 1.20 4.07 -1.26 -5.02 120.64 115.78 2gm2 n GLU 26 Ca 0.00 -0.29 -0.36 0.00 -0.06 0.00 0.00 57.16 56.45 2gm2 n GLU 26 Cb 0.00 -0.45 -0.13 0.00 -0.06 0.00 0.00 31.44 30.80 2gm2 n GLU 26 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2gm2 s GLN 27 N 0.00 3.54 -0.66 5.31 -0.21 -0.31 -5.05 119.66 122.28 2gm2 s GLN 27 Ca 0.00 -0.54 -0.24 0.00 0.02 0.00 0.00 55.36 54.60 2gm2 s GLN 27 Cb 0.00 -3.17 0.06 0.00 1.00 0.00 0.00 33.01 30.90 2gm2 s GLN 27 CO 0.00 -0.17 1.02 0.42 -2.12 0.00 0.00 175.29 174.44 2gm2 s ILE 28 N 1.48 4.22 -0.53 1.08 1.01 -1.26 -0.36 121.20 126.85 2gm2 s ILE 28 Ca 0.06 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 2gm2 s ILE 28 Cb -0.15 -4.71 0.06 0.00 0.01 0.00 0.00 42.46 37.67 2gm2 s ILE 28 CO 0.01 -1.48 0.71 -0.76 0.00 0.00 0.00 174.94 173.41 2gm2 s LEU 29 N 4.36 4.80 -0.67 2.97 1.43 0.82 -4.90 118.68 127.49 2gm2 s LEU 29 Ca 0.26 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2gm2 s LEU 29 Cb -0.15 -2.51 0.39 0.00 0.03 0.00 0.00 46.19 43.95 2gm2 s LEU 29 CO 0.12 -1.00 1.65 0.00 0.23 0.00 0.00 176.35 177.36 2gm2 n GLN 30 N 6.50 3.04 -2.82 1.70 10.64 -1.26 -1.23 117.38 133.94 2gm2 n GLN 30 Ca -0.05 -3.91 -0.07 0.00 -1.83 0.00 0.00 57.00 51.14 2gm2 n GLN 30 Cb 0.46 -2.26 -0.03 0.00 -0.86 0.00 0.00 30.24 27.54 2gm2 n GLN 30 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2gm2 n GLN 31 N -0.54 0.20 -3.20 2.61 6.02 -1.22 -4.59 117.38 116.67 2gm2 n GLN 31 Ca 0.48 -1.22 -0.43 0.00 -0.01 0.00 0.00 57.00 55.83 2gm2 n GLN 31 Cb 0.44 0.97 -0.08 0.00 1.02 0.00 0.00 30.24 32.60 2gm2 n GLN 31 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2gm2 s SER 32 N -1.85 6.28 0.06 1.08 0.01 -1.26 -2.53 113.70 115.48 2gm2 s SER 32 Ca 0.14 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.04 2gm2 s SER 32 Cb 0.01 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2gm2 s SER 32 CO 0.10 -0.66 -0.10 0.72 0.41 0.00 0.00 173.24 173.70 2gm2 s PHE 33 N 2.53 0.88 -0.32 2.43 -0.71 0.31 -3.04 117.98 120.06 2gm2 s PHE 33 Ca 0.19 -0.50 -0.09 0.00 -1.04 0.00 0.00 56.93 55.49 2gm2 s PHE 33 Cb -0.15 -0.51 0.01 0.00 -1.21 0.00 0.00 43.02 41.15 2gm2 s PHE 33 CO 0.16 -0.03 0.14 0.42 -1.34 0.00 0.00 175.22 174.57 2gm2 s ILE 34 N -1.41 4.35 -0.29 -4.49 1.01 0.71 -1.16 121.20 119.92 2gm2 s ILE 34 Ca -0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 2gm2 s ILE 34 Cb -0.10 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 2gm2 s ILE 34 CO 0.01 0.00 0.12 -0.22 0.00 0.00 0.00 174.94 174.85 2gm2 s LEU 35 N 1.55 3.85 0.27 2.97 2.96 0.87 -1.09 118.68 130.07 2gm2 s LEU 35 Ca 0.03 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 2gm2 s LEU 35 Cb -0.18 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.50 2gm2 s LEU 35 CO 0.05 -0.14 -0.09 -0.04 -1.32 0.00 0.00 176.35 174.81 2gm2 s MET 36 N 1.60 1.54 0.49 1.98 -1.94 -0.08 -1.09 119.30 121.81 2gm2 s MET 36 Ca 0.05 -1.76 0.26 0.00 -1.71 0.00 0.00 55.69 52.53 2gm2 s MET 36 Cb -0.16 -1.25 1.33 0.00 2.01 0.00 0.00 34.83 36.75 2gm2 s MET 36 CO 0.05 0.10 1.88 -1.35 -0.01 0.00 0.00 175.02 175.69 2gm2 h PRO 37 N 2.31 0.15 0.00 2.03 0.11 -1.99 -3.20 132.00 131.42 2gm2 h PRO 37 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2gm2 h PRO 37 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2gm2 h PRO 37 CO 0.66 0.10 -0.98 -3.47 -0.21 0.00 0.00 178.00 174.09 2gm2 n ASP 38 N -4.37 4.61 -4.46 -2.05 2.03 -1.26 -5.05 116.55 106.00 2gm2 n ASP 38 Ca 0.18 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.16 2gm2 n ASP 38 Cb 0.84 0.34 -0.13 0.00 -0.72 0.00 0.00 41.12 41.45 2gm2 n ASP 38 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2gm2 s GLU 39 N -1.98 3.15 -0.17 -0.67 2.12 -1.21 -5.09 118.70 114.85 2gm2 s GLU 39 Ca 0.00 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.71 2gm2 s GLU 39 Cb 0.00 -2.63 0.04 0.00 0.26 0.00 0.00 34.13 31.79 2gm2 s GLU 39 CO 0.00 0.39 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.85 2gm2 s LEU 40 N -0.08 1.78 -0.48 2.70 2.96 -1.26 -0.90 118.68 123.39 2gm2 s LEU 40 Ca -0.01 -0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2gm2 s LEU 40 Cb -0.14 -1.05 0.13 0.00 0.50 0.00 0.00 46.19 45.63 2gm2 s LEU 40 CO 0.03 -0.14 0.27 -0.69 -1.32 0.00 0.00 176.35 174.50 2gm2 s VAL 41 N 1.54 3.21 -1.57 1.68 1.01 -0.25 -4.91 120.40 121.11 2gm2 s VAL 41 Ca 0.01 -2.55 0.27 0.00 0.00 0.00 0.00 61.98 59.72 2gm2 s VAL 41 Cb -0.15 -3.18 0.32 0.00 0.00 0.00 0.00 36.38 33.37 2gm2 s VAL 41 CO -0.08 -0.75 1.71 -1.84 0.00 0.00 0.00 175.10 174.13 2gm2 n GLU 42 N 4.00 0.61 -3.41 2.72 0.00 -1.26 -0.20 120.64 123.10 2gm2 n GLU 42 Ca 0.03 -0.28 -0.39 0.00 0.00 0.00 0.00 57.16 56.52 2gm2 n GLU 42 Cb 0.39 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.30 2gm2 n GLU 42 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2gm2 n HIS 43 N -0.95 4.06 -3.85 -1.84 1.44 -1.26 -4.54 115.22 108.28 2gm2 n HIS 43 Ca 0.12 -3.77 -0.36 0.00 -2.01 0.00 0.00 57.72 51.70 2gm2 n HIS 43 Cb 0.31 -1.26 -0.13 0.00 0.12 0.00 0.00 29.99 29.03 2gm2 n HIS 43 CO 0.00 0.00 0.00 -0.46 -2.81 0.00 0.00 176.34 173.07 2gm2 s TRP 44 N -1.76 3.06 -0.64 -1.40 -0.00 -1.17 -5.02 118.94 112.01 2gm2 s TRP 44 Ca 0.30 -1.03 -0.18 0.00 -0.00 0.00 0.00 56.10 55.19 2gm2 s TRP 44 Cb -0.03 -2.16 -0.15 0.00 -0.00 0.00 0.00 33.47 31.12 2gm2 s TRP 44 CO -0.06 -0.58 1.85 -2.30 -0.00 0.00 0.00 176.95 175.87 2gm2 n PRO 45 N 4.81 1.31 -3.65 5.86 -0.02 -1.26 -4.65 135.00 137.40 2gm2 n PRO 45 Ca -0.16 -1.54 -0.29 0.00 -2.02 0.00 0.00 63.50 59.48 2gm2 n PRO 45 Cb 0.49 -2.69 -0.14 0.00 -0.02 0.00 0.00 33.50 31.14 2gm2 n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2gm2 s VAL 46 N 4.93 0.65 0.26 -1.45 1.01 -1.26 -4.93 120.40 119.60 2gm2 s VAL 46 Ca 0.51 -1.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 2gm2 s VAL 46 Cb 0.13 -1.49 0.08 0.00 0.00 0.00 0.00 36.38 35.09 2gm2 s VAL 46 CO 0.11 -0.76 1.72 -0.65 0.00 0.00 0.00 175.10 175.51 2gm2 h PRO 47 N 7.81 0.63 -3.19 2.72 0.11 -1.93 -3.41 132.00 134.74 2gm2 h PRO 47 Ca -0.10 -0.22 0.03 0.00 0.11 0.00 0.00 66.00 65.81 2gm2 h PRO 47 Cb 0.99 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 2gm2 h PRO 47 CO 0.44 0.77 0.12 -1.12 -0.21 0.00 0.00 178.00 178.00 2gm2 s SER 48 N -6.75 -0.24 0.37 -2.05 0.01 -1.26 -4.26 113.70 99.53 2gm2 s SER 48 Ca -0.08 -0.64 0.27 0.00 1.31 0.00 0.00 55.95 56.81 2gm2 s SER 48 Cb 0.14 0.67 1.28 0.00 0.21 0.00 0.00 66.02 68.32 2gm2 s SER 48 CO 0.80 -1.25 1.81 -0.07 0.41 0.00 0.00 173.24 174.95 2gm2 h LEU 49 N 2.08 0.00 -0.23 2.44 3.38 -1.97 -1.16 115.31 119.85 2gm2 h LEU 49 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2gm2 h LEU 49 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2gm2 h LEU 49 CO 0.28 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2gm2 n GLY 50 N -0.58 -1.11 0.22 0.83 0.00 -1.26 -1.90 105.19 101.39 2gm2 n GLY 50 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2gm2 n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gm2 n GLN 51 N -1.75 1.68 -1.73 1.61 6.02 -0.44 -4.86 117.38 117.91 2gm2 n GLN 51 Ca 0.03 -2.56 -0.41 0.00 -0.01 0.00 0.00 57.00 54.05 2gm2 n GLN 51 Cb 0.19 -1.53 -0.00 0.00 1.02 0.00 0.00 30.24 29.92 2gm2 n GLN 51 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2gm2 n LEU 52 N -1.20 7.22 -4.82 1.08 7.94 -0.80 -4.69 117.00 121.72 2gm2 n LEU 52 Ca 0.16 -4.25 -0.22 0.00 -1.11 0.00 0.00 56.01 50.59 2gm2 n LEU 52 Cb 0.66 -1.62 -0.04 0.00 0.53 0.00 0.00 43.42 42.95 2gm2 n LEU 52 CO 0.04 1.33 -0.12 -1.10 -1.11 0.00 0.00 177.39 176.43 2gm2 s GLN 53 N 2.61 2.68 0.00 1.96 -1.52 -1.26 -3.81 119.66 120.31 2gm2 s GLN 53 Ca 0.50 -1.31 0.12 0.00 -1.95 0.00 0.00 55.36 52.72 2gm2 s GLN 53 Cb 0.14 -2.43 0.58 0.00 -0.22 0.00 0.00 33.01 31.08 2gm2 s GLN 53 CO -0.07 0.15 1.28 -0.35 -0.25 0.00 0.00 175.29 176.05 2gm2 n PRO 54 N -1.30 0.15 0.00 2.91 -0.04 -1.26 -0.36 135.00 135.10 2gm2 n PRO 54 Ca -0.03 0.19 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 2gm2 n PRO 54 Cb 0.60 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.19 2gm2 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gm2 n ALA 55 N -1.30 2.69 0.00 0.55 0.00 -1.26 -2.35 120.51 118.83 2gm2 n ALA 55 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2gm2 n ALA 55 Cb 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2gm2 n ALA 55 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2gm2 n HIS 56 N -1.12 0.00 1.30 0.00 8.25 0.24 -4.71 115.22 119.18 2gm2 n HIS 56 Ca 0.13 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.68 2gm2 n HIS 56 Cb 0.27 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.97 1.61 -0.34 -0.41 0.00 0.51 -4.19 117.12 112.33 2gm2 n MET 57 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 57.70 56.81 2gm2 n MET 57 Cb 0.38 -1.34 0.19 0.00 0.00 0.00 0.00 33.22 32.45 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 1.78 0.91 -0.93 6.12 3.58 -1.68 -0.63 116.42 125.57 2gm2 h ASP 58 Ca 0.00 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.52 2gm2 h ASP 58 Cb 0.39 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.23 2gm2 h ASP 58 CO 0.00 0.54 0.61 0.00 -2.88 0.00 0.00 179.24 177.52 2gm2 h ALA 59 N 1.47 1.41 -0.31 -0.78 0.00 -1.87 0.23 119.26 119.42 2gm2 h ALA 59 Ca 0.44 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.12 2gm2 h ALA 59 Cb 0.30 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2gm2 h ALA 59 CO -0.21 0.49 -0.52 0.28 0.00 0.00 0.00 179.25 179.29 2gm2 h VAL 60 N 1.16 1.27 -0.50 0.00 2.07 -1.45 -0.07 116.25 118.73 2gm2 h VAL 60 Ca 0.37 -1.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.11 2gm2 h VAL 60 Cb 0.03 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2gm2 h VAL 60 CO -0.12 0.56 -0.01 -0.07 0.02 0.00 0.00 177.57 177.95 2gm2 h LEU 61 N 0.69 0.82 0.00 2.57 3.38 -0.62 -2.61 115.31 119.53 2gm2 h LEU 61 Ca 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2gm2 h LEU 61 Cb 1.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2gm2 h LEU 61 CO 0.12 0.89 -0.34 0.00 0.09 0.00 0.00 178.44 179.21 2gm2 h ALA 62 N 1.19 0.83 0.00 1.53 0.00 -0.91 -3.22 119.26 118.69 2gm2 h ALA 62 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2gm2 h ALA 62 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2gm2 h ALA 62 CO 0.02 0.20 -0.20 1.25 0.00 0.00 0.00 179.25 180.53 2gm2 h LEU 63 N 0.00 0.00 -2.70 0.00 6.46 -0.61 -3.48 115.31 114.98 2gm2 h LEU 63 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2gm2 h LEU 63 Cb 1.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 2gm2 h LEU 63 CO 0.02 0.20 -0.10 0.59 -0.62 0.00 0.00 178.44 178.52 2gm2 n ASN 64 N -4.12 -4.61 -4.92 1.25 3.02 -1.19 -5.07 115.26 99.63 2gm2 n ASN 64 Ca -0.02 0.10 -0.30 0.00 -0.03 0.00 0.00 54.58 54.33 2gm2 n ASN 64 Cb 0.27 -2.93 -0.04 0.00 -0.61 0.00 0.00 39.78 36.47 2gm2 n ASN 64 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2gm2 s PRO 65 N -2.40 3.53 -0.14 3.52 0.04 -1.26 -5.04 135.00 133.25 2gm2 s PRO 65 Ca 0.05 -0.30 -0.16 0.00 0.04 0.00 0.00 61.00 60.64 2gm2 s PRO 65 Cb -0.01 -2.91 -0.25 0.00 0.04 0.00 0.00 34.50 31.37 2gm2 s PRO 65 CO 0.34 0.49 0.42 0.00 0.04 0.00 0.00 177.00 178.29 2gm2 h ALA 66 N 2.61 0.26 -3.74 8.56 0.00 -1.43 -3.46 119.26 122.07 2gm2 h ALA 66 Ca -0.46 -1.18 -0.40 0.00 0.00 0.00 0.00 54.91 52.87 2gm2 h ALA 66 Cb 1.17 0.59 -0.31 0.00 0.00 0.00 0.00 17.79 19.24 2gm2 h ALA 66 CO 0.72 0.88 -0.78 0.54 0.00 0.00 0.00 179.25 180.61 2gm2 s VAL 67 N -2.46 0.65 -0.16 0.00 0.11 -1.04 -1.79 120.40 115.71 2gm2 s VAL 67 Ca -0.23 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 2gm2 s VAL 67 Cb 0.05 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2gm2 s VAL 67 CO 0.72 0.22 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.87 2gm2 s ILE 68 N 0.32 2.11 -0.48 7.04 1.01 0.14 -0.97 121.20 130.36 2gm2 s ILE 68 Ca -0.04 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 2gm2 s ILE 68 Cb -0.09 -1.87 0.05 0.00 0.01 0.00 0.00 42.46 40.57 2gm2 s ILE 68 CO 0.00 0.54 0.53 -0.76 0.00 0.00 0.00 174.94 175.25 2gm2 s LEU 69 N 1.07 5.10 -0.47 2.97 1.43 -0.30 -0.32 118.68 128.16 2gm2 s LEU 69 Ca -0.00 -0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 2gm2 s LEU 69 Cb -0.14 -2.37 0.05 0.00 0.03 0.00 0.00 46.19 43.75 2gm2 s LEU 69 CO -0.08 -0.76 0.54 -0.22 0.23 0.00 0.00 176.35 176.06 2gm2 s LEU 70 N 2.28 4.98 -0.75 1.79 2.96 0.51 -0.49 118.68 129.96 2gm2 s LEU 70 Ca 0.12 -0.84 -0.17 0.00 -0.22 0.00 0.00 54.13 53.01 2gm2 s LEU 70 Cb -0.20 -2.42 0.14 0.00 0.50 0.00 0.00 46.19 44.22 2gm2 s LEU 70 CO 0.11 -0.75 0.84 -0.83 -1.32 0.00 0.00 176.35 174.40 2gm2 s GLY 71 N 2.34 2.08 -1.25 7.98 0.00 0.48 -0.12 107.32 118.84 2gm2 s GLY 71 Ca 0.13 -2.70 -0.15 0.00 0.00 0.00 0.00 44.72 42.01 2gm2 s GLY 71 CO 0.12 1.60 1.56 -1.30 0.00 0.00 0.00 173.10 175.09 2gm2 n THR 72 N 5.07 4.15 0.00 0.90 -2.24 0.13 -1.32 114.28 120.97 2gm2 n THR 72 Ca 0.06 -4.50 0.00 0.00 -2.27 0.00 0.00 64.05 57.35 2gm2 n THR 72 Cb 0.46 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 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 4.45 3.28 0.16 3.38 0.00 -0.12 -1.74 105.19 114.60 2gm2 n GLY 73 Ca 0.41 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.60 2gm2 n GLY 73 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gm2 n GLU 74 N 14.00 2.89 -3.93 1.61 -0.00 -1.24 -0.28 120.64 133.70 2gm2 n GLU 74 Ca 0.00 -1.69 -0.28 0.00 -0.00 0.00 0.00 57.16 55.19 2gm2 n GLU 74 Cb 0.00 -1.10 -0.17 0.00 -0.00 0.00 0.00 31.44 30.18 2gm2 n GLU 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2gm2 s ARG 75 N -1.11 1.71 -0.66 3.44 3.52 -0.71 -4.99 118.95 120.14 2gm2 s ARG 75 Ca 0.07 -0.41 -0.26 0.00 -0.13 0.00 0.00 55.73 55.00 2gm2 s ARG 75 Cb 0.04 -1.84 -0.03 0.00 -1.56 0.00 0.00 34.95 31.56 2gm2 s ARG 75 CO 0.04 -0.31 1.90 -1.14 -0.81 0.00 0.00 175.30 174.99 2gm2 s GLN 76 N 1.63 2.58 -0.16 5.12 0.74 -1.26 -4.63 119.66 123.67 2gm2 s GLN 76 Ca 0.04 0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.92 2gm2 s GLN 76 Cb -0.13 -4.53 0.00 0.00 1.10 0.00 0.00 33.01 29.45 2gm2 s GLN 76 CO -0.09 -2.89 -0.16 -1.14 -0.55 0.00 0.00 175.29 170.46 2gm2 s GLN 77 N 7.10 3.18 0.30 1.67 2.00 -1.26 -5.09 119.66 127.56 2gm2 s GLN 77 Ca 0.69 -0.76 -0.29 0.00 -2.00 0.00 0.00 55.36 53.00 2gm2 s GLN 77 Cb -0.12 -2.63 -0.10 0.00 0.80 0.00 0.00 33.01 30.96 2gm2 s GLN 77 CO 0.17 -0.04 1.38 -0.06 -0.50 0.00 0.00 175.29 176.24 2gm2 s PHE 78 N 0.94 3.00 0.00 1.67 0.08 -1.26 -4.96 117.98 117.44 2gm2 s PHE 78 Ca -0.03 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.25 2gm2 s PHE 78 Cb -0.15 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.53 2gm2 s PHE 78 CO -0.02 -2.30 0.00 -2.30 -0.10 0.00 0.00 175.22 170.50 2gm2 n PRO 79 N 1.45 -0.44 -2.43 0.24 -0.02 -1.26 -5.00 135.00 127.55 2gm2 n PRO 79 Ca 0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.12 2gm2 n PRO 79 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.85 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 -1.39 6.95 0.50 2.55 0.15 -1.25 -4.93 113.70 116.28 2gm2 s SER 80 Ca 0.00 2.26 0.28 0.00 0.70 0.00 0.00 55.95 59.19 2gm2 s SER 80 Cb 0.00 -2.62 1.26 0.00 -1.71 0.00 0.00 66.02 62.96 2gm2 s SER 80 CO 0.00 -0.37 1.97 0.71 1.20 0.00 0.00 173.24 176.75 2gm2 h THR 81 N 2.71 0.44 0.00 6.45 1.35 -1.94 -2.22 112.91 119.70 2gm2 h THR 81 Ca -0.48 -0.76 -0.12 0.00 -0.55 0.00 0.00 66.41 64.51 2gm2 h THR 81 Cb 1.22 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 69.16 2gm2 h THR 81 CO 0.65 0.14 -0.56 -0.78 -0.25 0.00 0.00 175.52 174.72 2gm2 h ASP 82 N 0.00 0.00 0.22 5.36 3.58 -1.96 -2.98 116.42 120.64 2gm2 h ASP 82 Ca -0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 2gm2 h ASP 82 Cb 0.52 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 2gm2 h ASP 82 CO 0.02 0.56 -0.79 0.58 -2.88 0.00 0.00 179.24 176.72 2gm2 h VAL 83 N 0.00 1.37 -0.39 2.25 2.07 -1.74 -3.23 116.25 116.58 2gm2 h VAL 83 Ca -0.01 -2.20 0.07 0.00 0.82 0.00 0.00 66.70 65.39 2gm2 h VAL 83 Cb 1.03 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 2gm2 h VAL 83 CO 0.07 0.66 0.27 -0.07 0.02 0.00 0.00 177.57 178.52 2gm2 h LEU 84 N 0.30 0.19 0.04 2.57 3.38 -1.36 -1.74 115.31 118.69 2gm2 h LEU 84 Ca -0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2gm2 h LEU 84 Cb 1.39 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2gm2 h LEU 84 CO 0.14 0.12 -0.06 0.00 0.09 0.00 0.00 178.44 178.73 2gm2 h ALA 85 N 1.80 -0.10 -0.60 1.53 0.00 -1.60 0.01 119.26 120.29 2gm2 h ALA 85 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2gm2 h ALA 85 Cb 0.43 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2gm2 h ALA 85 CO -0.03 -0.57 0.05 0.00 0.00 0.00 0.00 179.25 178.70 2gm2 h ALA 86 N 0.82 0.96 -0.41 0.00 0.00 -1.50 0.21 119.26 119.34 2gm2 h ALA 86 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2gm2 h ALA 86 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2gm2 h ALA 86 CO -0.03 0.64 0.26 0.00 0.00 0.00 0.00 179.25 180.11 2gm2 h LEU 88 N 0.55 0.77 -1.01 0.00 3.38 -0.80 -0.42 115.31 117.77 2gm2 h LEU 88 Ca 0.15 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2gm2 h LEU 88 Cb -0.03 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2gm2 h LEU 88 CO -0.03 1.26 0.45 0.74 0.09 0.00 0.00 178.44 180.96 2gm2 h THR 89 N 0.32 1.24 0.13 0.22 2.02 -0.85 -2.90 112.91 113.08 2gm2 h THR 89 Ca -0.03 -0.59 -0.31 0.00 0.77 0.00 0.00 66.41 66.24 2gm2 h THR 89 Cb 1.23 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2gm2 h THR 89 CO 0.12 0.27 -1.54 0.03 0.37 0.00 0.00 175.52 174.77 2gm2 h ARG 90 N 1.15 0.27 -0.26 6.66 3.08 -1.35 -3.49 114.38 120.45 2gm2 h ARG 90 Ca 0.29 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2gm2 h ARG 90 Cb 0.02 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2gm2 h ARG 90 CO -0.05 1.14 0.00 0.41 -1.07 0.00 0.00 179.97 180.40 2gm2 n GLY 91 N 1.68 0.84 3.85 0.04 0.00 -0.29 -5.09 105.19 106.22 2gm2 n GLY 91 Ca -0.17 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.95 5.20 -0.87 -0.61 1.01 -0.50 -5.01 121.20 118.46 2gm2 s ILE 92 Ca 0.00 0.61 -0.19 0.00 0.00 0.00 0.00 60.65 61.07 2gm2 s ILE 92 Cb 0.00 -3.60 0.12 0.00 0.01 0.00 0.00 42.46 38.99 2gm2 s ILE 92 CO 0.00 0.59 1.09 -0.83 0.00 0.00 0.00 174.94 175.79 2gm2 s GLY 93 N -1.08 1.83 -0.58 6.18 0.00 -0.74 -4.78 107.32 108.15 2gm2 s GLY 93 Ca 0.21 -2.60 -0.21 0.00 0.00 0.00 0.00 44.72 42.13 2gm2 s GLY 93 CO 0.10 2.01 0.79 -2.27 0.00 0.00 0.00 173.10 173.73 2gm2 s LEU 94 N 2.93 4.81 -0.46 0.66 2.96 -1.26 0.23 118.68 128.55 2gm2 s LEU 94 Ca 0.30 -1.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.02 2gm2 s LEU 94 Cb -0.07 -2.45 0.04 0.00 0.50 0.00 0.00 46.19 44.21 2gm2 s LEU 94 CO -0.06 -1.16 0.53 -1.61 -1.32 0.00 0.00 176.35 172.73 2gm2 s GLU 95 N 3.23 3.11 -0.44 1.98 0.41 0.56 -4.97 118.70 122.59 2gm2 s GLU 95 Ca 0.18 -0.83 -0.26 0.00 -0.41 0.00 0.00 54.97 53.66 2gm2 s GLU 95 Cb -0.19 -4.03 0.02 0.00 -1.78 0.00 0.00 34.13 28.15 2gm2 s GLU 95 CO 0.11 -1.03 0.93 0.00 -0.49 0.00 0.00 175.26 174.77 2gm2 s ALA 96 N 2.36 3.28 0.22 5.21 0.00 -1.26 -0.36 121.76 131.20 2gm2 s ALA 96 Ca 0.14 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2gm2 s ALA 96 Cb -0.18 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 2gm2 s ALA 96 CO 0.13 -1.94 0.12 -1.33 0.00 0.00 0.00 175.76 172.73 2gm2 n MET 97 N 7.08 0.51 -2.63 0.00 2.81 0.83 -4.95 117.12 120.77 2gm2 n MET 97 Ca 0.06 -1.97 -0.25 0.00 -1.81 0.00 0.00 57.70 53.74 2gm2 n MET 97 Cb 0.48 1.30 0.03 0.00 -0.71 0.00 0.00 33.22 34.32 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 -2.59 3.60 0.21 2.03 -4.23 -1.26 -0.70 115.64 112.70 2gm2 s THR 98 Ca 0.17 -0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 60.31 2gm2 s THR 98 Cb 0.01 -3.39 0.14 0.00 1.34 0.00 0.00 72.50 70.60 2gm2 s THR 98 CO 0.12 -0.34 1.74 -1.13 -0.54 0.00 0.00 174.62 174.47 2gm2 h ASN 99 N 0.04 0.20 -0.46 3.99 -0.73 -0.85 0.22 115.58 117.98 2gm2 h ASN 99 Ca -0.45 0.08 -0.10 0.00 1.87 0.00 0.00 56.30 57.70 2gm2 h ASN 99 Cb 1.26 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.90 2gm2 h ASN 99 CO 0.58 0.12 -0.08 0.00 -0.37 0.00 0.00 177.43 177.68 2gm2 h ALA 100 N 1.41 0.64 -0.30 1.57 0.00 -1.77 -2.58 119.26 118.23 2gm2 h ALA 100 Ca 0.30 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2gm2 h ALA 100 Cb 0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2gm2 h ALA 100 CO -0.31 0.51 -0.33 0.00 0.00 0.00 0.00 179.25 179.12 2gm2 h ALA 101 N 0.89 0.44 -0.62 0.00 0.00 -1.72 -2.61 119.26 115.64 2gm2 h ALA 101 Ca 0.12 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2gm2 h ALA 101 Cb 0.62 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2gm2 h ALA 101 CO 0.04 0.50 0.14 0.00 0.00 0.00 0.00 179.25 179.93 2gm2 h ALA 102 N 0.71 1.07 -0.76 0.00 0.00 -0.62 -1.76 119.26 117.90 2gm2 h ALA 102 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2gm2 h ALA 102 Cb 0.91 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2gm2 h ALA 102 CO 0.08 0.61 0.33 0.00 0.00 0.00 0.00 179.25 180.27 2gm2 h ALA 103 N 1.21 0.99 -0.56 0.00 0.00 -1.38 0.56 119.26 120.07 2gm2 h ALA 103 Ca 0.20 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2gm2 h ALA 103 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2gm2 h ALA 103 CO 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.80 2gm2 h ARG 104 N 1.09 1.02 0.00 0.00 3.08 -1.08 -2.78 114.38 115.71 2gm2 h ARG 104 Ca 0.26 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 2gm2 h ARG 104 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2gm2 h ARG 104 CO -0.03 1.03 -0.56 1.15 -1.07 0.00 0.00 179.97 180.49 2gm2 h THR 105 N 0.90 1.26 -0.35 2.04 2.02 -1.10 -3.12 112.91 114.56 2gm2 h THR 105 Ca 0.15 -2.03 -0.03 0.00 0.77 0.00 0.00 66.41 65.27 2gm2 h THR 105 Cb 0.60 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 2gm2 h THR 105 CO 0.04 0.55 0.11 0.22 0.37 0.00 0.00 175.52 176.81 2gm2 h TYR 106 N 0.00 0.50 -0.71 3.16 3.20 -0.61 -1.94 116.97 120.57 2gm2 h TYR 106 Ca -0.01 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.96 2gm2 h TYR 106 Cb 1.10 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 39.13 2gm2 h TYR 106 CO 0.00 0.43 0.29 -0.97 -1.64 0.00 0.00 178.16 176.27 2gm2 h ASN 107 N 0.50 0.29 -0.01 -2.11 -1.24 -1.47 0.22 115.58 111.78 2gm2 h ASN 107 Ca 0.12 0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 2gm2 h ASN 107 Cb 0.16 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.27 2gm2 h ASN 107 CO -0.01 0.14 -0.00 0.58 -1.29 0.00 0.00 177.43 176.85 2gm2 h VAL 108 N 0.46 1.36 0.00 2.57 2.07 -1.52 -3.03 116.25 118.17 2gm2 h VAL 108 Ca 0.37 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 2gm2 h VAL 108 Cb 0.51 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 2gm2 h VAL 108 CO -0.35 0.28 -0.23 -0.07 0.02 0.00 0.00 177.57 177.22 2gm2 h LEU 109 N -0.43 0.00 -0.44 2.57 3.38 -1.16 -0.68 115.31 118.55 2gm2 h LEU 109 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2gm2 h LEU 109 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2gm2 h LEU 109 CO 0.00 0.23 -0.02 0.00 0.09 0.00 0.00 178.44 178.74 2gm2 h ALA 110 N 1.77 0.60 -0.03 1.53 0.00 -0.56 0.30 119.26 122.87 2gm2 h ALA 110 Ca -0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2gm2 h ALA 110 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2gm2 h ALA 110 CO 0.03 0.41 -0.61 0.77 0.00 0.00 0.00 179.25 179.86 2gm2 h SER 111 N 0.64 0.13 -0.63 0.00 0.02 -1.30 -2.83 113.55 109.59 2gm2 h SER 111 Ca 0.12 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2gm2 h SER 111 Cb 0.53 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 2gm2 h SER 111 CO 0.03 0.71 0.19 -0.33 -1.14 0.00 0.00 176.83 176.28 2gm2 h GLU 112 N 0.09 1.01 -1.03 3.45 4.39 -0.88 -3.47 114.58 118.14 2gm2 h GLU 112 Ca -0.01 -0.21 -0.27 0.00 0.34 0.00 0.00 59.36 59.21 2gm2 h GLU 112 Cb 1.09 -0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.51 2gm2 h GLU 112 CO 0.09 0.87 -0.28 0.41 -1.16 0.00 0.00 179.01 178.94 2gm2 n GLY 113 N -0.82 0.92 2.17 -3.84 0.00 0.07 -4.89 105.19 98.81 2gm2 n GLY 113 Ca 0.05 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 2gm2 n GLY 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2gm2 n ARG 114 N -2.51 2.08 -3.51 1.61 0.63 -1.24 -4.77 116.66 108.95 2gm2 n ARG 114 Ca -0.14 -1.69 -0.17 0.00 -0.92 0.00 0.00 57.85 54.93 2gm2 n ARG 114 Cb 0.49 -1.91 0.01 0.00 0.45 0.00 0.00 32.46 31.50 2gm2 n ARG 114 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2gm2 n ARG 115 N 1.20 -1.38 -3.95 -0.14 0.63 -1.26 -4.22 116.66 107.54 2gm2 n ARG 115 Ca 0.40 0.96 -0.36 0.00 -0.92 0.00 0.00 57.85 57.92 2gm2 n ARG 115 Cb 0.64 -3.95 -0.07 0.00 0.45 0.00 0.00 32.46 29.54 2gm2 n ARG 115 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2gm2 s VAL 116 N -3.10 5.27 -0.17 5.15 0.11 -1.26 -1.33 120.40 125.07 2gm2 s VAL 116 Ca 0.11 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2gm2 s VAL 116 Cb -0.04 -3.30 0.02 0.00 -1.53 0.00 0.00 36.38 31.53 2gm2 s VAL 116 CO 0.84 0.59 -0.20 0.00 -3.33 0.00 0.00 175.10 173.00 2gm2 s ALA 117 N -0.79 2.32 -0.52 1.54 0.00 -0.15 -4.66 121.76 119.51 2gm2 s ALA 117 Ca 0.13 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 2gm2 s ALA 117 Cb -0.12 -1.13 0.05 0.00 0.00 0.00 0.00 23.12 21.92 2gm2 s ALA 117 CO 0.03 -0.24 0.69 -1.17 0.00 0.00 0.00 175.76 175.07 2gm2 s LEU 118 N 1.13 4.78 -0.60 0.00 2.96 -0.25 -1.15 118.68 125.55 2gm2 s LEU 118 Ca 0.01 -0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 52.97 2gm2 s LEU 118 Cb -0.14 -2.53 0.14 0.00 0.50 0.00 0.00 46.19 44.16 2gm2 s LEU 118 CO -0.09 -0.96 0.59 0.00 -1.32 0.00 0.00 176.35 174.57 2gm2 s ALA 119 N 2.91 3.67 -0.39 5.97 0.00 0.35 -0.09 121.76 134.18 2gm2 s ALA 119 Ca 0.18 -2.62 -0.15 0.00 0.00 0.00 0.00 51.96 49.38 2gm2 s ALA 119 Cb -0.18 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.58 2gm2 s ALA 119 CO 0.13 -2.14 0.30 -1.64 0.00 0.00 0.00 175.76 172.41 2gm2 s MET 120 N 1.59 3.13 -0.54 0.00 -1.94 -0.31 -0.38 119.30 120.84 2gm2 s MET 120 Ca 0.08 -0.89 -0.04 0.00 -1.71 0.00 0.00 55.69 53.12 2gm2 s MET 120 Cb -0.25 -3.93 0.14 0.00 2.01 0.00 0.00 34.83 32.80 2gm2 s MET 120 CO 0.01 -0.67 0.37 0.42 -0.01 0.00 0.00 175.02 175.14 2gm2 s ILE 121 N 1.73 3.74 0.03 2.53 1.01 -0.43 -0.53 121.20 129.28 2gm2 s ILE 121 Ca 0.06 -2.47 0.07 0.00 0.00 0.00 0.00 60.65 58.31 2gm2 s ILE 121 Cb -0.18 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2gm2 s ILE 121 CO 0.10 -0.81 -0.19 0.68 0.00 0.00 0.00 174.94 174.72 2gm2 s VAL 122 N 0.55 2.70 0.00 2.92 -7.23 -1.05 -0.94 120.40 117.35 2gm2 s VAL 122 Ca 0.12 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2gm2 s VAL 122 Cb -0.21 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2gm2 s VAL 122 CO -0.04 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 2gm2 n GLY 123 N 1.65 0.12 2.57 2.32 0.00 -1.25 -3.41 105.19 107.19 2gm2 n GLY 123 Ca -0.16 -1.69 -0.07 0.00 0.00 0.00 0.00 46.02 44.10 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 0.77 0.27 -0.02 0.00 -1.26 -4.84 105.19 100.11 2gm2 n GLY 124 Ca 0.00 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.01 2gm2 n GLY 124 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2gm2 h LEU 125 N 0.00 0.00 -2.03 0.99 -0.00 -1.93 -0.89 115.31 111.45 2gm2 h LEU 125 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2gm2 h LEU 125 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 2gm2 h LEU 125 CO 0.20 0.10 0.00 -0.62 -0.00 0.00 0.00 178.44 178.12 2gm2 n GLU 126 N -3.55 2.25 0.02 0.17 -0.58 -1.26 -4.17 120.64 113.52 2gm2 n GLU 126 Ca -0.02 -1.98 -0.19 0.00 -0.42 0.00 0.00 57.16 54.55 2gm2 n GLU 126 Cb 0.23 -1.45 -0.09 0.00 -0.57 0.00 0.00 31.44 29.56 2gm2 n GLU 126 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2gm2 h HIS 127 N 4.41 1.05 -2.56 -0.32 2.76 -1.54 -3.36 115.15 115.59 2gm2 h HIS 127 Ca 0.00 -0.53 -0.63 0.00 -2.20 0.00 0.00 60.37 57.01 2gm2 h HIS 127 Cb 0.95 -0.14 -0.14 0.00 1.55 0.00 0.00 27.41 29.63 2gm2 h HIS 127 CO 0.08 1.37 0.64 -1.58 -1.30 0.00 0.00 177.93 177.13 2gm2 s HIS 128 N -3.49 2.69 -0.03 5.26 5.65 -1.23 -5.00 115.29 119.14 2gm2 s HIS 128 Ca -0.10 -0.62 -0.30 0.00 0.25 0.00 0.00 55.06 54.30 2gm2 s HIS 128 Cb 0.08 -4.33 -0.07 0.00 -1.18 0.00 0.00 32.58 27.08 2gm2 s HIS 128 CO 0.91 -1.67 1.84 -1.01 -0.65 0.00 0.00 174.74 174.16 2gm2 s HIS 129 N 4.06 1.60 0.05 3.88 0.09 -1.26 -4.88 115.29 118.83 2gm2 s HIS 129 Ca 0.25 -0.10 -0.26 0.00 -0.00 0.00 0.00 55.06 54.95 2gm2 s HIS 129 Cb -0.14 -4.08 -0.17 0.00 -0.00 0.00 0.00 32.58 28.18 2gm2 s HIS 129 CO 0.08 -4.67 1.55 0.45 -0.00 0.00 0.00 174.74 172.14 2gm2 h HIS 130 N 10.41 -0.26 0.00 1.40 3.86 -1.91 -3.42 115.15 125.23 2gm2 h HIS 130 Ca -0.44 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2gm2 h HIS 130 Cb 1.21 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2gm2 h HIS 130 CO 0.93 -0.06 0.00 -2.39 0.86 0.00 0.00 177.93 177.27 2gm2 n HIS 131 N -5.15 0.00 -1.83 2.45 1.44 -1.26 -5.28 115.22 105.60 2gm2 n HIS 131 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2gm2 n HIS 131 Cb 0.18 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.29 2gm2 n HIS 131 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25