#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm0 s GLN 2 N 0.00 0.45 -0.19 1.43 -1.52 -1.26 -5.00 119.66 113.57 1gm0 s GLN 2 Ca 0.00 0.97 0.18 0.00 -1.95 0.00 0.00 55.36 54.56 1gm0 s GLN 2 Cb 0.00 -1.70 0.46 0.00 -0.22 0.00 0.00 33.01 31.55 1gm0 s GLN 2 CO 0.00 -2.84 1.16 0.39 -0.25 0.00 0.00 175.29 173.76 1gm0 n GLU 3 N -4.31 1.66 -2.97 2.91 1.02 -1.26 -4.87 120.64 112.82 1gm0 n GLU 3 Ca 0.07 -3.21 -0.38 0.00 -0.02 0.00 0.00 57.16 53.61 1gm0 n GLU 3 Cb 0.54 -1.33 -0.01 0.00 -0.02 0.00 0.00 31.44 30.63 1gm0 n GLU 3 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1gm0 n VAL 4 N -0.43 4.89 -2.40 2.62 0.31 -1.26 -4.48 118.33 117.58 1gm0 n VAL 4 Ca 0.17 -5.81 0.01 0.00 -0.01 0.00 0.00 64.34 58.70 1gm0 n VAL 4 Cb 0.91 -1.88 0.06 0.00 -0.91 0.00 0.00 33.84 32.02 1gm0 n VAL 4 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1gm0 n MET 5 N 0.72 0.95 -0.20 5.55 0.00 -1.26 -4.82 117.12 118.07 1gm0 n MET 5 Ca 0.33 -2.74 -0.08 0.00 0.00 0.00 0.00 57.70 55.21 1gm0 n MET 5 Cb 0.33 -0.83 0.07 0.00 0.00 0.00 0.00 33.22 32.79 1gm0 n MET 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1gm0 n LYS 6 N -0.12 -1.92 -0.44 3.17 4.76 -1.26 -5.03 118.16 117.32 1gm0 n LYS 6 Ca 0.11 -0.42 -0.30 0.00 -2.87 0.00 0.00 58.31 54.83 1gm0 n LYS 6 Cb 0.98 -0.44 0.28 0.00 -1.84 0.00 0.00 35.03 34.01 1gm0 n LYS 6 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1gm0 s ASN 7 N -2.26 -0.51 -0.31 4.39 6.03 -1.26 -4.86 114.94 116.15 1gm0 s ASN 7 Ca 0.18 1.01 -0.42 0.00 -1.03 0.00 0.00 52.86 52.60 1gm0 s ASN 7 Cb -0.02 -1.49 -0.19 0.00 -3.03 0.00 0.00 41.25 36.53 1gm0 s ASN 7 CO 0.14 -5.05 1.32 -0.11 -2.03 0.00 0.00 177.10 171.38 1gm0 n LEU 8 N -5.44 0.74 -0.01 3.54 -0.00 -1.26 -4.89 117.00 109.68 1gm0 n LEU 8 Ca 0.10 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 57.21 1gm0 n LEU 8 Cb 0.59 -0.83 -0.03 0.00 -0.00 0.00 0.00 43.42 43.14 1gm0 n LEU 8 CO 0.47 -1.13 -0.59 -1.20 -0.00 0.00 0.00 177.39 174.94 1gm0 n SER 9 N 2.94 4.01 -4.75 1.96 7.64 -1.26 -5.03 113.62 119.12 1gm0 n SER 9 Ca 0.25 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.75 1gm0 n SER 9 Cb -0.01 0.93 0.04 0.00 -1.01 0.00 0.00 64.21 64.15 1gm0 n SER 9 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1gm0 s LEU 10 N -3.75 3.91 -1.09 -3.43 1.43 -1.26 -4.87 118.68 109.63 1gm0 s LEU 10 Ca -0.02 2.83 -0.07 0.00 -1.03 0.00 0.00 54.13 55.84 1gm0 s LEU 10 Cb 0.02 -4.19 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 1gm0 s LEU 10 CO 0.17 -1.50 2.93 -3.20 0.23 0.00 0.00 176.35 174.98 1gm0 n ASN 11 N -0.84 7.62 0.05 2.29 2.85 -0.83 -4.68 115.26 121.72 1gm0 n ASN 11 Ca 0.09 -2.77 -0.05 0.00 -0.11 0.00 0.00 54.58 51.73 1gm0 n ASN 11 Cb 0.44 -1.44 0.14 0.00 1.24 0.00 0.00 39.78 40.15 1gm0 n ASN 11 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1gm0 h PHE 12 N 4.26 0.45 -0.50 1.20 0.04 -1.89 -3.15 116.94 117.35 1gm0 h PHE 12 Ca 0.64 -0.14 0.09 0.00 2.80 0.00 0.00 57.97 61.36 1gm0 h PHE 12 Cb 0.59 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.57 1gm0 h PHE 12 CO 1.75 0.79 0.02 0.78 -0.60 0.00 0.00 178.31 181.05 1gm0 h GLY 13 N 1.23 0.53 1.00 -1.45 0.00 -1.97 0.35 103.07 102.77 1gm0 h GLY 13 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1gm0 h GLY 13 CO 0.08 -0.12 -0.22 0.50 0.00 0.00 0.00 176.54 176.78 1gm0 h LYS 14 N 0.14 -0.59 -0.84 4.80 1.79 -1.97 -1.34 116.57 118.56 1gm0 h LYS 14 Ca 0.25 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.75 1gm0 h LYS 14 Cb 0.37 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 1gm0 h LYS 14 CO -0.40 -0.39 0.46 0.00 -1.08 0.00 0.00 179.45 178.05 1gm0 h ALA 15 N -0.07 1.23 -0.84 3.86 0.00 -1.25 -0.99 119.26 121.20 1gm0 h ALA 15 Ca -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1gm0 h ALA 15 Cb 0.47 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1gm0 h ALA 15 CO 0.10 0.63 0.39 -0.07 0.00 0.00 0.00 179.25 180.29 1gm0 h LEU 16 N 1.18 1.11 0.00 0.00 3.38 -0.36 -0.12 115.31 120.49 1gm0 h LEU 16 Ca 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1gm0 h LEU 16 Cb 0.02 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1gm0 h LEU 16 CO -0.05 0.95 0.00 -0.67 0.09 0.00 0.00 178.44 178.76 1gm0 n ASP 17 N -4.30 0.00 -0.13 -0.43 2.03 -0.43 -0.10 116.55 113.19 1gm0 n ASP 17 Ca 0.08 -0.30 -0.28 0.00 0.52 0.00 0.00 54.79 54.81 1gm0 n ASP 17 Cb 0.15 -0.11 -0.10 0.00 -0.72 0.00 0.00 41.12 40.34 1gm0 n ASP 17 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1gm0 n GLU 18 N -1.11 0.59 -0.10 -0.67 1.02 -0.70 -4.34 120.64 115.33 1gm0 n GLU 18 Ca 0.11 0.31 -0.06 0.00 -0.02 0.00 0.00 57.16 57.49 1gm0 n GLU 18 Cb 0.09 -1.53 0.01 0.00 -0.02 0.00 0.00 31.44 29.99 1gm0 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gm0 h LYS 20 N 0.22 0.00 0.01 0.00 5.09 -0.78 -0.88 116.57 120.23 1gm0 h LYS 20 Ca 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.78 1gm0 h LYS 20 Cb 0.16 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.47 1gm0 h LYS 20 CO -0.19 0.00 -0.64 0.87 -2.09 0.00 0.00 179.45 177.40 1gm0 h LYS 21 N 0.00 0.03 0.06 0.07 1.57 -1.13 -1.46 116.57 115.71 1gm0 h LYS 21 Ca 0.01 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1gm0 h LYS 21 Cb 0.04 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1gm0 h LYS 21 CO -0.00 1.02 -0.34 0.93 -0.57 0.00 0.00 179.45 180.49 1gm0 h GLU 22 N -0.93 -0.46 -0.00 3.15 5.08 -0.31 -2.72 114.58 118.39 1gm0 h GLU 22 Ca -0.17 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1gm0 h GLU 22 Cb 1.20 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1gm0 h GLU 22 CO -0.08 -0.30 -0.03 -1.33 -1.00 0.00 0.00 179.01 176.27 1gm0 n MET 23 N -4.38 0.69 -3.86 2.33 0.00 -0.38 -4.90 117.12 106.63 1gm0 n MET 23 Ca -0.05 -0.09 -0.33 0.00 0.00 0.00 0.00 57.70 57.23 1gm0 n MET 23 Cb 0.26 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 32.00 1gm0 n MET 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1gm0 n THR 24 N -1.08 -4.28 -1.96 2.03 -1.04 -1.03 -5.02 114.28 101.90 1gm0 n THR 24 Ca 0.17 -0.75 -0.29 0.00 -2.04 0.00 0.00 64.05 61.14 1gm0 n THR 24 Cb 0.22 -3.34 0.14 0.00 -1.82 0.00 0.00 70.33 65.52 1gm0 n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1gm0 s LEU 25 N -6.84 2.64 0.63 -4.42 1.43 -0.56 -5.01 118.68 106.55 1gm0 s LEU 25 Ca 0.33 0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 53.76 1gm0 s LEU 25 Cb -0.14 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 1gm0 s LEU 25 CO 0.90 -2.29 1.06 0.42 0.23 0.00 0.00 176.35 176.67 1gm0 s THR 26 N -3.70 3.86 0.46 5.49 -4.23 -1.26 -4.80 115.64 111.46 1gm0 s THR 26 Ca 0.68 0.78 0.12 0.00 -1.18 0.00 0.00 61.69 62.09 1gm0 s THR 26 Cb -0.07 -3.37 0.25 0.00 1.34 0.00 0.00 72.50 70.65 1gm0 s THR 26 CO 0.51 -0.62 2.08 -0.78 -0.54 0.00 0.00 174.62 175.26 1gm0 h ASP 27 N 0.01 0.19 -0.57 3.99 1.82 -1.97 -3.13 116.42 116.77 1gm0 h ASP 27 Ca -0.46 -0.01 0.16 0.00 -0.39 0.00 0.00 57.03 56.34 1gm0 h ASP 27 Cb 1.22 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 1gm0 h ASP 27 CO 0.57 0.18 0.48 0.00 -1.61 0.00 0.00 179.24 178.86 1gm0 h ALA 28 N 1.85 2.41 -0.00 -0.78 0.00 -2.03 -1.24 119.26 119.47 1gm0 h ALA 28 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gm0 h ALA 28 Cb 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1gm0 h ALA 28 CO -0.01 -0.77 0.22 -0.84 0.00 0.00 0.00 179.25 177.86 1gm0 h ILE 29 N 0.00 0.01 -0.16 0.00 -0.00 -1.95 -1.25 117.51 114.16 1gm0 h ILE 29 Ca 0.27 0.00 0.04 0.00 -0.00 0.00 0.00 64.86 65.17 1gm0 h ILE 29 Cb 1.22 0.78 -0.04 0.00 -0.00 0.00 0.00 36.82 38.78 1gm0 h ILE 29 CO -0.00 0.00 -0.08 -1.13 -0.00 0.00 0.00 178.15 176.94 1gm0 h ASN 30 N 0.00 -0.25 0.02 2.16 -0.73 -1.49 -2.17 115.58 113.12 1gm0 h ASN 30 Ca 0.00 0.06 -0.38 0.00 1.87 0.00 0.00 56.30 57.86 1gm0 h ASN 30 Cb 0.45 0.14 -0.07 0.00 0.27 0.00 0.00 38.32 39.12 1gm0 h ASN 30 CO -0.00 -0.10 -2.40 1.21 -0.37 0.00 0.00 177.43 175.77 1gm0 n GLU 31 N -5.22 0.67 -0.24 6.67 2.13 -0.94 -3.92 120.64 119.79 1gm0 n GLU 31 Ca -0.03 0.10 0.10 0.00 0.66 0.00 0.00 57.16 57.99 1gm0 n GLU 31 Cb 0.15 -1.54 0.37 0.00 0.27 0.00 0.00 31.44 30.69 1gm0 n GLU 31 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1gm0 h ASP 32 N 0.00 0.65 0.46 4.31 3.32 -1.32 0.17 116.42 124.02 1gm0 h ASP 32 Ca -0.55 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 1gm0 h ASP 32 Cb 2.05 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.50 1gm0 h ASP 32 CO -0.03 0.36 -0.22 0.15 -1.72 0.00 0.00 179.24 177.78 1gm0 h PHE 33 N 0.70 -0.57 -0.46 4.55 3.04 -1.56 -3.06 116.94 119.58 1gm0 h PHE 33 Ca 0.41 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.30 1gm0 h PHE 33 Cb 0.60 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 1gm0 h PHE 33 CO -0.00 -0.29 0.09 1.88 -2.02 0.00 0.00 178.31 177.97 1gm0 h TYR 34 N -0.76 0.72 -0.18 0.41 -1.99 -1.26 -1.85 116.97 112.05 1gm0 h TYR 34 Ca -0.06 -0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.63 1gm0 h TYR 34 Cb 0.54 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 1gm0 h TYR 34 CO -0.01 0.63 0.13 -0.91 -0.00 0.00 0.00 178.16 177.99 1gm0 h ASN 35 N 0.68 0.12 -0.50 3.88 -0.26 -0.76 -2.46 115.58 116.27 1gm0 h ASN 35 Ca 0.15 -0.00 0.13 0.00 -0.56 0.00 0.00 56.30 56.02 1gm0 h ASN 35 Cb 0.29 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1gm0 h ASN 35 CO 0.00 0.08 0.36 0.15 -1.06 0.00 0.00 177.43 176.96 1gm0 h PHE 36 N 0.14 0.08 0.00 1.19 3.57 -1.22 -1.13 116.94 119.57 1gm0 h PHE 36 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1gm0 h PHE 36 Cb 0.15 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1gm0 h PHE 36 CO -0.00 0.03 -0.03 0.91 -2.23 0.00 0.00 178.31 176.99 1gm0 n TRP 37 N -4.41 0.20 -2.22 0.41 8.01 -0.92 -4.85 117.44 113.66 1gm0 n TRP 37 Ca 0.09 0.06 -0.35 0.00 -1.31 0.00 0.00 57.50 55.99 1gm0 n TRP 37 Cb 0.53 -0.58 0.01 0.00 -2.01 0.00 0.00 31.31 29.25 1gm0 n TRP 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1gm0 s LYS 38 N -3.02 3.31 0.39 -0.99 1.02 -0.43 -4.98 119.74 115.03 1gm0 s LYS 38 Ca 0.13 1.59 -0.26 0.00 0.02 0.00 0.00 55.97 57.45 1gm0 s LYS 38 Cb 0.17 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 35.40 1gm0 s LYS 38 CO 0.55 -0.88 1.20 -1.21 -0.92 0.00 0.00 175.35 174.09 1gm0 s GLU 39 N -3.36 4.11 -0.77 1.68 8.01 -1.26 -2.88 118.70 124.23 1gm0 s GLU 39 Ca 0.72 1.91 0.00 0.00 0.01 0.00 0.00 54.97 57.61 1gm0 s GLU 39 Cb -0.23 -2.76 0.00 0.00 -4.31 0.00 0.00 34.13 26.83 1gm0 s GLU 39 CO 0.28 -0.29 0.00 0.41 0.01 0.00 0.00 175.26 175.67 1gm0 n GLY 40 N 0.69 0.70 3.54 -1.39 0.00 -1.26 -4.94 105.19 102.54 1gm0 n GLY 40 Ca 0.03 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1gm0 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gm0 s TYR 41 N -1.64 2.97 -0.50 1.61 6.14 -1.14 -5.02 117.35 119.78 1gm0 s TYR 41 Ca 0.00 0.16 -0.16 0.00 0.64 0.00 0.00 57.07 57.71 1gm0 s TYR 41 Cb 0.00 -3.72 0.09 0.00 0.42 0.00 0.00 41.96 38.75 1gm0 s TYR 41 CO 0.00 -1.02 0.44 -1.21 0.64 0.00 0.00 175.55 174.40 1gm0 s GLU 42 N 3.37 2.99 -0.31 4.97 8.01 -1.26 -4.88 118.70 131.59 1gm0 s GLU 42 Ca 0.30 -1.45 -0.09 0.00 0.01 0.00 0.00 54.97 53.74 1gm0 s GLU 42 Cb -0.12 -4.19 -0.01 0.00 -4.31 0.00 0.00 34.13 25.51 1gm0 s GLU 42 CO 0.23 -1.14 0.14 0.42 0.01 0.00 0.00 175.26 174.92 1gm0 s ILE 43 N 1.68 4.53 0.00 -1.63 1.09 -1.26 -4.96 121.20 120.66 1gm0 s ILE 43 Ca 0.04 -0.44 0.00 0.00 -1.10 0.00 0.00 60.65 59.15 1gm0 s ILE 43 Cb -0.26 -3.31 0.00 0.00 -1.06 0.00 0.00 42.46 37.83 1gm0 s ILE 43 CO 0.06 0.08 0.44 0.29 -0.10 0.00 0.00 174.94 175.70 1gm0 n LYS 44 N 4.97 0.24 0.00 2.79 4.76 -1.26 -5.04 118.16 124.62 1gm0 n LYS 44 Ca -0.14 -0.53 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 1gm0 n LYS 44 Cb 0.49 -0.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.93 1gm0 n LYS 44 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1gm0 n ASN 45 N -0.09 -0.42 -0.13 4.39 5.15 -1.26 -5.06 115.26 117.84 1gm0 n ASN 45 Ca 0.00 -0.78 -0.27 0.00 -0.60 0.00 0.00 54.58 52.93 1gm0 n ASN 45 Cb 0.22 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.36 1gm0 n ASN 45 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1gm0 n ARG 46 N -1.20 0.60 -0.27 1.20 1.74 -1.26 -4.67 116.66 112.80 1gm0 n ARG 46 Ca 0.00 0.31 0.04 0.00 -0.77 0.00 0.00 57.85 57.43 1gm0 n ARG 46 Cb 0.00 -1.55 0.18 0.00 -1.02 0.00 0.00 32.46 30.06 1gm0 n ARG 46 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1gm0 h GLU 47 N -0.84 0.57 -0.57 5.56 3.07 -1.97 -0.69 114.58 119.72 1gm0 h GLU 47 Ca -0.61 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.25 1gm0 h GLU 47 Cb 1.61 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 29.35 1gm0 h GLU 47 CO -0.32 0.38 0.34 1.15 -1.40 0.00 0.00 179.01 179.15 1gm0 h THR 48 N 0.59 1.05 0.00 1.13 2.02 -1.94 0.50 112.91 116.25 1gm0 h THR 48 Ca 0.40 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 1gm0 h THR 48 Cb 0.52 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1gm0 h THR 48 CO -0.33 0.12 -0.42 1.23 0.37 0.00 0.00 175.52 176.50 1gm0 h GLY 49 N 0.66 0.00 0.83 2.16 0.00 -1.32 -1.01 103.07 104.39 1gm0 h GLY 49 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1gm0 h GLY 49 CO -0.11 0.00 0.03 0.00 0.00 0.00 0.00 176.54 176.46 1gm0 h ALA 51 N 0.84 0.41 0.04 0.00 0.00 -0.61 0.49 119.26 120.44 1gm0 h ALA 51 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1gm0 h ALA 51 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1gm0 h ALA 51 CO -0.00 -0.19 -0.16 0.82 0.00 0.00 0.00 179.25 179.72 1gm0 h ILE 52 N 0.36 0.62 -0.61 0.00 2.04 -1.10 0.67 117.51 119.49 1gm0 h ILE 52 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.05 1gm0 h ILE 52 Cb 0.04 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1gm0 h ILE 52 CO -0.09 0.00 0.34 -0.03 0.00 0.00 0.00 178.15 178.37 1gm0 h MET 53 N -0.28 0.62 -0.51 2.37 4.05 -0.64 -1.55 114.93 118.98 1gm0 h MET 53 Ca 0.04 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 1gm0 h MET 53 Cb 0.33 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1gm0 h MET 53 CO -0.13 0.41 -0.15 0.00 0.23 0.00 0.00 176.91 177.27 1gm0 h LEU 55 N 0.88 0.00 -0.32 0.00 3.38 0.08 -2.39 115.31 116.94 1gm0 h LEU 55 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1gm0 h LEU 55 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1gm0 h LEU 55 CO 0.06 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 1gm0 n SER 56 N -3.07 0.18 -1.74 -0.43 3.41 -0.74 -1.09 113.62 110.15 1gm0 n SER 56 Ca -0.01 0.56 -0.06 0.00 -0.26 0.00 0.00 58.87 59.10 1gm0 n SER 56 Cb 0.17 -0.60 0.08 0.00 -0.26 0.00 0.00 64.21 63.60 1gm0 n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1gm0 n THR 57 N -1.72 1.77 -0.96 6.66 5.66 -0.90 -4.56 114.28 120.23 1gm0 n THR 57 Ca 0.01 -3.17 0.04 0.00 -3.05 0.00 0.00 64.05 57.88 1gm0 n THR 57 Cb 0.10 -0.03 0.05 0.00 -1.55 0.00 0.00 70.33 68.89 1gm0 n THR 57 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1gm0 n LYS 58 N -0.60 1.29 -0.18 1.09 4.76 -0.25 -4.86 118.16 119.39 1gm0 n LYS 58 Ca 0.23 -1.63 0.16 0.00 -2.87 0.00 0.00 58.31 54.20 1gm0 n LYS 58 Cb 0.89 -1.00 0.50 0.00 -1.84 0.00 0.00 35.03 33.58 1gm0 n LYS 58 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1gm0 h LEU 59 N 0.00 0.41 -2.44 -0.35 3.38 -1.80 0.11 115.31 114.61 1gm0 h LEU 59 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1gm0 h LEU 59 Cb 0.95 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1gm0 h LEU 59 CO 0.00 0.20 0.01 -0.55 0.09 0.00 0.00 178.44 178.19 1gm0 h ASN 60 N 0.43 0.00 0.17 -0.43 -1.07 -1.86 -0.57 115.58 112.25 1gm0 h ASN 60 Ca 0.39 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.49 1gm0 h ASN 60 Cb 0.90 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.17 1gm0 h ASN 60 CO -0.13 0.00 -1.24 0.24 0.07 0.00 0.00 177.43 176.37 1gm0 h MET 61 N 0.00 0.37 -0.01 4.14 2.86 -1.17 -3.41 114.93 117.72 1gm0 h MET 61 Ca 0.00 -0.63 -0.07 0.00 -2.06 0.00 0.00 59.70 56.95 1gm0 h MET 61 Cb 0.03 0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.93 1gm0 h MET 61 CO -0.00 1.30 -0.26 -0.07 1.06 0.00 0.00 176.91 178.94 1gm0 h LEU 62 N -0.16 0.24 -8.09 1.22 3.38 -1.21 -3.40 115.31 107.29 1gm0 h LEU 62 Ca -0.23 -0.76 -0.72 0.00 0.09 0.00 0.00 57.88 56.26 1gm0 h LEU 62 Cb 1.87 -0.07 -0.28 0.00 0.09 0.00 0.00 40.66 42.26 1gm0 h LEU 62 CO 0.17 0.97 -0.47 -0.62 0.09 0.00 0.00 178.44 178.59 1gm0 s ASP 63 N -6.32 5.62 0.21 -0.43 -1.08 -0.29 -1.97 116.67 112.40 1gm0 s ASP 63 Ca -0.16 -1.56 0.04 0.00 -0.52 0.00 0.00 52.55 50.35 1gm0 s ASP 63 Cb 0.01 -1.98 0.16 0.00 -1.46 0.00 0.00 42.92 39.65 1gm0 s ASP 63 CO 0.74 -0.55 1.49 1.55 0.52 0.00 0.00 175.17 178.93 1gm0 h PRO 64 N 8.39 0.20 0.00 4.34 0.13 -1.79 -2.43 132.00 140.85 1gm0 h PRO 64 Ca -0.22 -0.16 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1gm0 h PRO 64 Cb 1.08 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1gm0 h PRO 64 CO 0.76 0.82 -0.14 0.93 -0.23 0.00 0.00 178.00 180.14 1gm0 h GLU 65 N 0.13 0.00 0.00 0.86 5.08 -1.94 -3.47 114.58 115.24 1gm0 h GLU 65 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1gm0 h GLU 65 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1gm0 h GLU 65 CO 0.11 0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.67 1gm0 n GLY 66 N -0.29 0.61 0.20 -3.84 0.00 -0.91 -5.00 105.19 95.96 1gm0 n GLY 66 Ca -0.01 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.39 1gm0 n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gm0 h ASN 67 N 0.00 0.14 -2.97 1.61 -0.26 -1.91 -3.39 115.58 108.80 1gm0 h ASN 67 Ca 0.00 -0.05 -0.57 0.00 -0.56 0.00 0.00 56.30 55.13 1gm0 h ASN 67 Cb 0.00 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.18 1gm0 h ASN 67 CO 0.00 0.48 1.02 -0.22 -1.06 0.00 0.00 177.43 177.65 1gm0 s LEU 68 N -8.31 3.93 0.25 1.61 2.96 -1.26 -3.95 118.68 113.90 1gm0 s LEU 68 Ca -0.04 1.44 0.09 0.00 -0.22 0.00 0.00 54.13 55.40 1gm0 s LEU 68 Cb 0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1gm0 s LEU 68 CO 0.75 -1.10 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.65 1gm0 s HIS 69 N 4.54 2.68 -0.08 5.38 3.76 -1.26 -4.78 115.29 125.53 1gm0 s HIS 69 Ca 0.62 -0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 55.01 1gm0 s HIS 69 Cb -0.21 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.24 1gm0 s HIS 69 CO 0.24 0.60 1.30 -1.58 -0.85 0.00 0.00 174.74 174.45 1gm0 s HIS 70 N -2.18 2.91 -2.01 1.40 2.46 -1.26 -2.85 115.29 113.76 1gm0 s HIS 70 Ca 0.30 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.81 1gm0 s HIS 70 Cb -0.07 -3.54 0.00 0.00 -0.13 0.00 0.00 32.58 28.84 1gm0 s HIS 70 CO 0.19 -1.88 0.00 0.41 -2.47 0.00 0.00 174.74 170.99 1gm0 n GLY 71 N 3.57 0.78 2.15 1.59 0.00 0.11 -4.81 105.19 108.57 1gm0 n GLY 71 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1gm0 n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gm0 n ASN 72 N -1.67 -0.09 0.00 1.61 5.15 -1.13 -4.98 115.26 114.14 1gm0 n ASN 72 Ca -0.23 -2.08 0.06 0.00 -0.60 0.00 0.00 54.58 51.74 1gm0 n ASN 72 Cb 0.69 0.11 0.38 0.00 -0.53 0.00 0.00 39.78 40.43 1gm0 n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gm0 n ALA 73 N -0.59 2.10 -0.19 5.20 0.00 -1.20 -3.93 120.51 121.90 1gm0 n ALA 73 Ca -0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1gm0 n ALA 73 Cb 0.87 -1.21 0.11 0.00 0.00 0.00 0.00 19.45 19.21 1gm0 n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1gm0 h MET 74 N 0.00 0.99 -0.01 0.00 2.86 -1.91 0.14 114.93 116.99 1gm0 h MET 74 Ca 0.00 -0.24 -0.18 0.00 -2.06 0.00 0.00 59.70 57.22 1gm0 h MET 74 Cb 0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1gm0 h MET 74 CO 0.00 0.90 -0.79 0.93 1.06 0.00 0.00 176.91 179.01 1gm0 h GLU 75 N 0.93 0.17 0.71 1.72 5.08 -1.86 0.12 114.58 121.46 1gm0 h GLU 75 Ca 0.19 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1gm0 h GLU 75 Cb 0.38 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1gm0 h GLU 75 CO 0.01 0.87 -0.36 0.35 -1.00 0.00 0.00 179.01 178.87 1gm0 h PHE 76 N 0.10 -0.95 -0.95 4.33 3.57 -1.63 -3.31 116.94 118.10 1gm0 h PHE 76 Ca -0.03 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.61 1gm0 h PHE 76 Cb 1.38 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 40.36 1gm0 h PHE 76 CO 0.02 -0.58 0.60 0.00 -2.23 0.00 0.00 178.31 176.13 1gm0 h ALA 77 N -1.49 1.77 -0.70 2.41 0.00 -0.42 0.19 119.26 121.01 1gm0 h ALA 77 Ca -0.10 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1gm0 h ALA 77 Cb 0.76 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1gm0 h ALA 77 CO 0.15 -0.05 0.46 0.87 0.00 0.00 0.00 179.25 180.68 1gm0 h LYS 78 N 0.75 0.59 0.00 0.00 1.57 -0.88 -0.36 116.57 118.24 1gm0 h LYS 78 Ca 0.50 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1gm0 h LYS 78 Cb 0.78 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1gm0 h LYS 78 CO -0.26 0.39 0.01 0.87 -0.57 0.00 0.00 179.45 179.89 1gm0 h LYS 79 N 0.61 0.00 -0.41 3.15 1.57 -0.69 -1.15 116.57 119.64 1gm0 h LYS 79 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1gm0 h LYS 79 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1gm0 h LYS 79 CO -0.11 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.49 1gm0 n HIS 80 N -3.04 0.71 0.00 -1.35 8.25 -0.18 -4.93 115.22 114.68 1gm0 n HIS 80 Ca -0.03 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.86 1gm0 n HIS 80 Cb 0.08 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1gm0 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm0 n GLY 81 N 0.57 1.26 3.77 -1.41 0.00 -0.44 -4.83 105.19 104.11 1gm0 n GLY 81 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1gm0 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm0 n ALA 82 N -1.91 2.32 -1.93 4.61 0.00 -0.99 -4.92 120.51 117.69 1gm0 n ALA 82 Ca 0.00 0.35 -0.26 0.00 0.00 0.00 0.00 53.44 53.52 1gm0 n ALA 82 Cb 0.00 -2.41 0.09 0.00 0.00 0.00 0.00 19.45 17.12 1gm0 n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gm0 s ASP 83 N -0.09 4.58 0.13 0.00 1.01 -1.26 -3.89 116.67 117.16 1gm0 s ASP 83 Ca 0.54 0.41 -0.16 0.00 0.71 0.00 0.00 52.55 54.05 1gm0 s ASP 83 Cb -0.48 -0.97 -0.01 0.00 1.01 0.00 0.00 42.92 42.47 1gm0 s ASP 83 CO 0.62 -1.77 1.69 -0.08 0.21 0.00 0.00 175.17 175.85 1gm0 h GLU 84 N -0.75 0.56 -0.47 8.23 4.81 -1.95 -0.60 114.58 124.41 1gm0 h GLU 84 Ca -0.44 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 1gm0 h GLU 84 Cb 1.31 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1gm0 h GLU 84 CO 0.57 0.52 0.03 1.15 -0.73 0.00 0.00 179.01 180.56 1gm0 h THR 85 N 0.47 1.23 -0.10 0.32 2.02 -1.98 -0.64 112.91 114.24 1gm0 h THR 85 Ca 0.13 -0.92 -0.18 0.00 0.77 0.00 0.00 66.41 66.21 1gm0 h THR 85 Cb 0.16 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1gm0 h THR 85 CO -0.01 0.33 -0.68 0.24 0.37 0.00 0.00 175.52 175.76 1gm0 h MET 86 N 0.72 0.41 0.35 6.66 2.86 -1.83 0.91 114.93 125.01 1gm0 h MET 86 Ca 0.15 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1gm0 h MET 86 Cb 0.39 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1gm0 h MET 86 CO 0.01 0.94 -0.17 0.00 1.06 0.00 0.00 176.91 178.76 1gm0 h ALA 87 N 0.97 -0.47 -0.81 6.32 0.00 -1.02 -3.09 119.26 121.16 1gm0 h ALA 87 Ca -0.02 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1gm0 h ALA 87 Cb 1.24 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1gm0 h ALA 87 CO 0.12 -0.76 0.53 0.37 0.00 0.00 0.00 179.25 179.51 1gm0 h GLN 88 N -0.49 0.69 0.03 0.00 5.75 -0.55 0.92 115.11 121.45 1gm0 h GLN 88 Ca -0.05 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.44 1gm0 h GLN 88 Cb 0.37 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 1gm0 h GLN 88 CO 0.08 0.45 -0.46 1.96 -2.65 0.00 0.00 178.83 178.21 1gm0 h GLN 89 N 0.71 -0.61 -0.21 1.69 1.08 -0.84 -0.28 115.11 116.64 1gm0 h GLN 89 Ca 0.38 0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.54 1gm0 h GLN 89 Cb 0.53 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1gm0 h GLN 89 CO -0.15 -0.41 -0.25 -0.07 -0.95 0.00 0.00 178.83 177.00 1gm0 h LEU 90 N -0.64 0.38 -0.50 1.46 3.38 -0.82 -1.94 115.31 116.64 1gm0 h LEU 90 Ca 0.03 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1gm0 h LEU 90 Cb 0.69 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1gm0 h LEU 90 CO -0.32 0.64 -0.03 0.40 0.09 0.00 0.00 178.44 179.23 1gm0 h ILE 91 N 0.34 1.27 -0.96 1.22 2.04 -0.89 -0.98 117.51 119.55 1gm0 h ILE 91 Ca 0.05 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.79 1gm0 h ILE 91 Cb 0.63 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1gm0 h ILE 91 CO 0.05 0.39 0.62 -0.78 0.00 0.00 0.00 178.15 178.43 1gm0 h ASP 92 N 0.76 1.11 -0.65 1.72 3.58 -0.59 -1.75 116.42 120.60 1gm0 h ASP 92 Ca 0.14 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 1gm0 h ASP 92 Cb 0.56 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1gm0 h ASP 92 CO 0.03 0.82 0.23 0.40 -2.88 0.00 0.00 179.24 177.84 1gm0 h ILE 93 N 1.30 1.24 0.48 2.25 2.04 -1.17 0.50 117.51 124.16 1gm0 h ILE 93 Ca 0.35 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1gm0 h ILE 93 Cb -0.13 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1gm0 h ILE 93 CO -0.07 0.31 -0.31 0.58 0.00 0.00 0.00 178.15 178.66 1gm0 h VAL 94 N 0.92 0.36 0.00 1.67 2.07 -0.31 0.37 116.25 121.33 1gm0 h VAL 94 Ca 0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1gm0 h VAL 94 Cb 0.25 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1gm0 h VAL 94 CO -0.01 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.99 1gm0 n HIS 95 N -5.44 0.00 -0.04 1.57 8.25 -0.90 -1.67 115.22 117.00 1gm0 n HIS 95 Ca -0.11 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.19 1gm0 n HIS 95 Cb 0.34 -0.35 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 1gm0 n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm0 n GLY 96 N 0.49 -0.71 0.09 -1.41 0.00 0.16 -4.40 105.19 99.42 1gm0 n GLY 96 Ca 0.08 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1gm0 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm0 h GLU 98 N 0.04 0.43 -0.50 0.00 5.08 -1.56 -2.20 114.58 115.87 1gm0 h GLU 98 Ca -0.10 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1gm0 h GLU 98 Cb 1.90 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 1gm0 h GLU 98 CO 0.17 0.29 -0.03 0.87 -1.00 0.00 0.00 179.01 179.31 1gm0 h LYS 99 N 0.45 0.85 0.00 2.33 1.79 -1.65 -1.67 116.57 118.66 1gm0 h LYS 99 Ca 0.45 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1gm0 h LYS 99 Cb 0.73 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1gm0 h LYS 99 CO -0.43 0.87 0.00 -1.13 -1.08 0.00 0.00 179.45 177.67 1gm0 n SER 100 N -4.19 0.00 -4.20 0.86 3.41 -0.87 -4.67 113.62 103.96 1gm0 n SER 100 Ca 0.02 0.48 -0.37 0.00 -0.26 0.00 0.00 58.87 58.75 1gm0 n SER 100 Cb 0.33 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 63.66 1gm0 n SER 100 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gm0 s THR 101 N -2.99 3.54 0.23 6.66 2.01 -0.63 -5.07 115.64 119.38 1gm0 s THR 101 Ca 0.11 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.28 1gm0 s THR 101 Cb 0.14 -3.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.38 1gm0 s THR 101 CO 0.39 -0.39 1.38 -2.16 -0.69 0.00 0.00 174.62 173.15 1gm0 s PRO 102 N 1.29 4.32 -0.76 4.92 0.04 -1.26 -4.79 135.00 138.76 1gm0 s PRO 102 Ca 0.01 2.19 -0.24 0.00 0.04 0.00 0.00 61.00 63.00 1gm0 s PRO 102 Cb -0.21 -3.15 -0.16 0.00 0.04 0.00 0.00 34.50 31.02 1gm0 s PRO 102 CO -0.00 -0.34 2.41 0.00 0.04 0.00 0.00 177.00 179.10 1gm0 n ALA 103 N 2.49 0.59 -1.90 8.56 0.00 -1.26 -4.92 120.51 124.06 1gm0 n ALA 103 Ca 0.07 -1.06 -0.32 0.00 0.00 0.00 0.00 53.44 52.13 1gm0 n ALA 103 Cb 0.41 -3.02 -0.02 0.00 0.00 0.00 0.00 19.45 16.82 1gm0 n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1gm0 s ASN 104 N 9.42 6.53 0.34 0.00 3.84 -1.26 -4.98 114.94 128.82 1gm0 s ASN 104 Ca 1.05 1.47 0.13 0.00 0.21 0.00 0.00 52.86 55.72 1gm0 s ASN 104 Cb -0.37 -2.47 0.60 0.00 -0.55 0.00 0.00 41.25 38.46 1gm0 s ASN 104 CO 0.25 -0.62 1.74 -0.78 -2.79 0.00 0.00 177.10 174.91 1gm0 h ASP 105 N 0.70 0.00 -3.18 -4.21 3.58 -2.03 -3.41 116.42 107.87 1gm0 h ASP 105 Ca -0.46 0.00 -0.72 0.00 0.42 0.00 0.00 57.03 56.27 1gm0 h ASP 105 Cb 1.19 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.03 1gm0 h ASP 105 CO 0.62 0.46 -0.12 -0.62 -2.88 0.00 0.00 179.24 176.70 1gm0 s ASP 106 N -6.80 6.18 0.43 2.28 -1.08 -1.26 -4.94 116.67 111.48 1gm0 s ASP 106 Ca -0.02 -1.31 0.09 0.00 -0.52 0.00 0.00 52.55 50.80 1gm0 s ASP 106 Cb 0.13 -2.24 0.93 0.00 -1.46 0.00 0.00 42.92 40.28 1gm0 s ASP 106 CO 0.73 -0.84 2.06 0.50 0.52 0.00 0.00 175.17 178.14 1gm0 h LYS 107 N 8.93 0.40 -0.15 4.34 1.63 -1.99 -0.80 116.57 128.92 1gm0 h LYS 107 Ca -0.29 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.44 1gm0 h LYS 107 Cb 1.10 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1gm0 h LYS 107 CO 0.97 0.29 -0.06 0.00 -3.45 0.00 0.00 179.45 177.20 1gm0 h ILE 109 N -0.01 1.17 -0.08 0.00 2.04 -1.72 -1.47 117.51 117.44 1gm0 h ILE 109 Ca 0.04 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.41 1gm0 h ILE 109 Cb 0.52 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1gm0 h ILE 109 CO 0.02 0.18 -0.13 -0.25 0.00 0.00 0.00 178.15 177.96 1gm0 h TRP 110 N 0.29 -0.34 -0.89 1.37 7.01 -1.08 -1.45 115.95 120.87 1gm0 h TRP 110 Ca 0.09 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.15 1gm0 h TRP 110 Cb 0.17 0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.34 1gm0 h TRP 110 CO -0.01 -0.20 0.57 1.15 -2.79 0.00 0.00 178.44 177.16 1gm0 h THR 111 N -0.19 1.11 -0.67 2.65 2.02 -0.79 -0.69 112.91 116.35 1gm0 h THR 111 Ca 0.07 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1gm0 h THR 111 Cb 0.29 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1gm0 h THR 111 CO -0.19 0.20 0.21 0.25 0.37 0.00 0.00 175.52 176.36 1gm0 h LEU 112 N 1.08 0.97 -0.28 2.58 6.46 -1.00 -1.33 115.31 123.79 1gm0 h LEU 112 Ca 0.37 -0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 1gm0 h LEU 112 Cb 0.07 -0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 39.66 1gm0 h LEU 112 CO -0.14 0.92 -0.39 1.23 -0.62 0.00 0.00 178.44 179.44 1gm0 h GLY 113 N 0.97 -0.53 0.58 3.75 0.00 -0.09 -0.28 103.07 107.48 1gm0 h GLY 113 Ca 0.22 0.49 0.04 0.00 0.00 0.00 0.00 47.33 48.08 1gm0 h GLY 113 CO -0.01 -0.21 -0.06 -2.08 0.00 0.00 0.00 176.54 174.18 1gm0 h VAL 114 N -0.38 0.77 -0.31 4.60 2.07 -0.87 -0.90 116.25 121.23 1gm0 h VAL 114 Ca 0.12 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 1gm0 h VAL 114 Cb 0.59 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1gm0 h VAL 114 CO -0.48 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.11 1gm0 h ALA 115 N 1.15 1.43 -0.47 1.67 0.00 -1.02 0.89 119.26 122.91 1gm0 h ALA 115 Ca 0.10 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1gm0 h ALA 115 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1gm0 h ALA 115 CO -0.21 0.40 -0.19 1.15 0.00 0.00 0.00 179.25 180.40 1gm0 h THR 116 N 0.46 1.27 0.53 0.00 2.02 -0.39 -2.57 112.91 114.23 1gm0 h THR 116 Ca 0.10 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.91 1gm0 h THR 116 Cb 0.29 1.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1gm0 h THR 116 CO 0.01 0.46 -0.26 0.00 0.37 0.00 0.00 175.52 176.10 1gm0 h PHE 118 N -0.79 -1.53 -0.77 0.00 3.57 -0.74 -0.75 116.94 115.92 1gm0 h PHE 118 Ca -0.07 0.06 0.16 0.00 3.53 0.00 0.00 57.97 61.64 1gm0 h PHE 118 Cb 0.58 0.68 -0.10 0.00 2.79 0.00 0.00 35.95 39.90 1gm0 h PHE 118 CO -0.02 -0.54 0.27 -0.22 -2.23 0.00 0.00 178.31 175.57 1gm0 h LYS 119 N -0.58 0.36 -0.70 1.11 3.64 -1.56 -0.13 116.57 118.71 1gm0 h LYS 119 Ca 0.04 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1gm0 h LYS 119 Cb 0.68 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1gm0 h LYS 119 CO -0.42 0.24 0.17 0.00 -2.27 0.00 0.00 179.45 177.17 1gm0 h ALA 120 N 1.59 0.97 0.00 5.00 0.00 -1.07 -2.58 119.26 123.16 1gm0 h ALA 120 Ca 0.44 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1gm0 h ALA 120 Cb 0.72 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1gm0 h ALA 120 CO -0.46 0.66 -0.24 0.93 0.00 0.00 0.00 179.25 180.14 1gm0 h GLU 121 N 1.06 0.00 0.00 0.00 4.39 0.30 0.35 114.58 120.68 1gm0 h GLU 121 Ca 0.22 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 1gm0 h GLU 121 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1gm0 h GLU 121 CO 0.00 0.24 -0.22 0.82 -1.16 0.00 0.00 179.01 178.69 1gm0 h ILE 122 N 0.00 1.07 0.00 3.13 2.04 -0.91 0.10 117.51 122.94 1gm0 h ILE 122 Ca -0.00 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1gm0 h ILE 122 Cb 0.45 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1gm0 h ILE 122 CO 0.03 0.22 0.00 1.57 0.00 0.00 0.00 178.15 179.97 1gm0 n HIS 123 N -4.15 0.00 -0.01 1.37 -0.00 0.09 -1.36 115.22 111.17 1gm0 n HIS 123 Ca -0.02 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.25 1gm0 n HIS 123 Cb 0.29 -0.29 -0.16 0.00 -0.12 0.00 0.00 29.99 29.71 1gm0 n HIS 123 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1gm0 n LYS 124 N -1.29 0.66 -1.31 1.57 4.81 -0.14 -4.96 118.16 117.49 1gm0 n LYS 124 Ca 0.09 -0.16 -0.31 0.00 -0.87 0.00 0.00 58.31 57.06 1gm0 n LYS 124 Cb 0.15 -1.55 0.10 0.00 0.02 0.00 0.00 35.03 33.75 1gm0 n LYS 124 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1gm0 s LEU 125 N -4.67 2.85 0.00 3.14 1.43 -0.26 -4.98 118.68 116.18 1gm0 s LEU 125 Ca -0.08 1.68 0.24 0.00 -1.03 0.00 0.00 54.13 54.95 1gm0 s LEU 125 Cb 0.13 -4.34 0.22 0.00 0.03 0.00 0.00 46.19 42.23 1gm0 s LEU 125 CO 0.89 -2.08 1.25 -0.46 0.23 0.00 0.00 176.35 176.18 1gm0 n ASN 126 N -3.54 2.22 -3.77 2.29 0.23 -1.26 -4.93 115.26 106.50 1gm0 n ASN 126 Ca 0.08 -1.62 -0.23 0.00 -0.53 0.00 0.00 54.58 52.29 1gm0 n ASN 126 Cb 0.54 0.24 -0.05 0.00 -2.08 0.00 0.00 39.78 38.43 1gm0 n ASN 126 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 1gm0 n TRP 127 N 0.40 0.66 -4.20 -2.53 4.27 -1.26 -5.15 117.44 109.63 1gm0 n TRP 127 Ca 0.12 -1.86 -0.27 0.00 -3.89 0.00 0.00 57.50 51.60 1gm0 n TRP 127 Cb 0.49 -0.18 -0.17 0.00 -1.36 0.00 0.00 31.31 30.09 1gm0 n TRP 127 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1gm0 s ALA 128 N -2.69 1.43 0.99 -1.67 0.00 -1.26 -4.91 121.76 113.65 1gm0 s ALA 128 Ca 0.04 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1gm0 s ALA 128 Cb 0.00 -0.81 0.18 0.00 0.00 0.00 0.00 23.12 22.49 1gm0 s ALA 128 CO 0.03 -0.20 1.09 -2.14 0.00 0.00 0.00 175.76 174.54 1gm0 s PRO 129 N 1.26 0.50 0.72 0.00 0.02 -1.26 -5.03 135.00 131.21 1gm0 s PRO 129 Ca -0.03 1.12 -0.16 0.00 0.02 0.00 0.00 61.00 61.95 1gm0 s PRO 129 Cb -0.14 -1.70 0.03 0.00 0.02 0.00 0.00 34.50 32.72 1gm0 s PRO 129 CO -0.04 -2.85 1.23 -1.12 -0.33 0.00 0.00 177.00 173.89 1gm0 s SER 130 N -2.85 4.18 0.20 2.53 0.01 -1.26 -4.84 113.70 111.68 1gm0 s SER 130 Ca 0.66 2.44 -0.10 0.00 1.31 0.00 0.00 55.95 60.25 1gm0 s SER 130 Cb -0.22 -2.60 0.19 0.00 0.21 0.00 0.00 66.02 63.60 1gm0 s SER 130 CO 0.60 -2.27 1.83 0.24 0.41 0.00 0.00 173.24 174.04 1gm0 h MET 131 N -0.18 0.74 -0.89 12.44 2.86 -1.95 -0.50 114.93 127.44 1gm0 h MET 131 Ca -0.48 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.21 1gm0 h MET 131 Cb 1.31 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.74 1gm0 h MET 131 CO 0.50 0.49 0.58 -0.44 1.06 0.00 0.00 176.91 179.09 1gm0 h ASP 132 N 0.76 0.80 0.41 1.22 5.19 -1.93 0.21 116.42 123.09 1gm0 h ASP 132 Ca 0.27 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.68 1gm0 h ASP 132 Cb 0.07 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1gm0 h ASP 132 CO -0.13 0.47 -0.20 0.58 -3.12 0.00 0.00 179.24 176.85 1gm0 h VAL 133 N 0.89 0.00 0.00 -1.35 2.07 -1.83 0.16 116.25 116.18 1gm0 h VAL 133 Ca 0.42 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1gm0 h VAL 133 Cb 0.41 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1gm0 h VAL 133 CO -0.18 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.41 1gm0 h ALA 134 N -1.44 1.00 0.00 1.67 0.00 -0.53 0.17 119.26 120.13 1gm0 h ALA 134 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1gm0 h ALA 134 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1gm0 h ALA 134 CO 0.09 0.00 -1.01 0.28 0.00 0.00 0.00 179.25 178.61 1gm0 h VAL 135 N 0.00 0.94 -0.96 0.00 2.07 -0.71 -3.36 116.25 114.22 1gm0 h VAL 135 Ca 0.00 -2.09 0.14 0.00 0.82 0.00 0.00 66.70 65.57 1gm0 h VAL 135 Cb 0.16 2.16 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 1gm0 h VAL 135 CO 0.00 0.32 0.61 1.23 0.02 0.00 0.00 177.57 179.75 1gm0 h GLY 136 N -1.00 1.50 0.92 2.17 0.00 0.56 -2.57 103.07 104.64 1gm0 h GLY 136 Ca -0.27 -0.37 -0.22 0.00 0.00 0.00 0.00 47.33 46.48 1gm0 h GLY 136 CO -0.16 0.11 -0.89 0.83 0.00 0.00 0.00 176.54 176.42 1gm0 h GLU 137 N 0.85 0.46 -0.17 4.80 5.08 -0.95 -1.54 114.58 123.10 1gm0 h GLU 137 Ca 0.49 -0.60 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1gm0 h GLU 137 Cb 0.63 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1gm0 h GLU 137 CO -0.26 1.24 -0.22 0.97 -1.00 0.00 0.00 179.01 179.74 1gm0 h ILE 138 N -0.04 1.24 -0.31 3.13 2.10 -1.68 -1.62 117.51 120.33 1gm0 h ILE 138 Ca -0.14 -1.09 -0.08 0.00 1.08 0.00 0.00 64.86 64.63 1gm0 h ILE 138 Cb 1.63 1.35 -0.02 0.00 -1.09 0.00 0.00 36.82 38.69 1gm0 h ILE 138 CO 0.17 0.34 -0.13 -0.07 -1.08 0.00 0.00 178.15 177.38 1gm0 h LEU 139 N 0.28 0.52 -1.41 2.19 3.38 -1.46 -0.51 115.31 118.30 1gm0 h LEU 139 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1gm0 h LEU 139 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1gm0 h LEU 139 CO 0.04 0.68 0.10 0.00 0.09 0.00 0.00 178.44 179.35 1gm0 h ALA 140 N 1.37 1.07 0.00 1.53 0.00 -0.25 -3.39 119.26 119.60 1gm0 h ALA 140 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1gm0 h ALA 140 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1gm0 h ALA 140 CO 0.03 -0.07 -0.74 0.39 0.00 0.00 0.00 179.25 178.85 1gm0 n GLU 141 N -2.28 0.00 0.00 0.00 1.02 -0.73 0.07 120.64 118.72 1gm0 n GLU 141 Ca -0.01 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.18 1gm0 n GLU 141 Cb 0.14 -0.37 0.34 0.00 -0.02 0.00 0.00 31.44 31.52 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59