#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 2.05 -0.21 1.43 -1.52 -1.26 -5.06 119.66 115.09 1gm0 s GLN 2 Ca 0.00 -1.59 0.21 0.00 -1.95 0.00 0.00 55.36 52.03 1gm0 s GLN 2 Cb 0.00 -1.99 0.48 0.00 -0.22 0.00 0.00 33.01 31.28 1gm0 s GLN 2 CO 0.00 0.32 1.14 -0.85 -0.25 0.00 0.00 175.29 175.65 1gm0 n GLU 3 N -0.81 1.62 -3.18 2.91 0.00 -1.26 -4.80 120.64 115.12 1gm0 n GLU 3 Ca -0.06 -3.28 -0.23 0.00 0.00 0.00 0.00 57.16 53.59 1gm0 n GLU 3 Cb 0.60 -1.37 -0.05 0.00 0.00 0.00 0.00 31.44 30.62 1gm0 n GLU 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1gm0 n VAL 4 N -0.41 0.80 -2.78 3.84 0.31 -1.26 -4.81 118.33 114.02 1gm0 n VAL 4 Ca 0.12 -4.74 -0.02 0.00 -0.01 0.00 0.00 64.34 59.69 1gm0 n VAL 4 Cb 0.89 -1.32 0.05 0.00 -0.91 0.00 0.00 33.84 32.55 1gm0 n VAL 4 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1gm0 n MET 5 N 0.60 1.83 -0.85 5.55 2.81 -1.26 -5.11 117.12 120.68 1gm0 n MET 5 Ca 0.26 -3.54 -0.30 0.00 -1.81 0.00 0.00 57.70 52.31 1gm0 n MET 5 Cb 0.52 -1.64 0.25 0.00 -0.71 0.00 0.00 33.22 31.65 1gm0 n MET 5 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1gm0 s LYS 6 N -3.77 -1.67 0.33 0.03 -2.85 -1.26 -4.97 119.74 105.59 1gm0 s LYS 6 Ca 0.29 0.05 -0.26 0.00 -1.00 0.00 0.00 55.97 55.05 1gm0 s LYS 6 Cb 0.33 -1.53 -0.14 0.00 -2.06 0.00 0.00 37.83 34.43 1gm0 s LYS 6 CO -0.03 -4.03 0.78 -1.71 0.10 0.00 0.00 175.35 170.46 1gm0 n ASN 7 N -5.01 0.20 -2.79 0.03 5.15 -1.26 -3.99 115.26 107.59 1gm0 n ASN 7 Ca 0.12 1.07 -0.03 0.00 -0.60 0.00 0.00 54.58 55.14 1gm0 n ASN 7 Cb 0.59 -1.19 -0.02 0.00 -0.53 0.00 0.00 39.78 38.63 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1gm0 n LEU 8 N 1.28 -5.93 -0.05 1.20 -0.00 -1.26 -4.97 117.00 107.28 1gm0 n LEU 8 Ca 0.11 1.69 -0.14 0.00 -0.00 0.00 0.00 56.01 57.68 1gm0 n LEU 8 Cb 0.34 -2.75 -0.03 0.00 -0.00 0.00 0.00 43.42 40.98 1gm0 n LEU 8 CO 0.57 -3.42 0.40 0.28 -0.00 0.00 0.00 177.39 175.23 1gm0 h SER 9 N 4.12 0.90 -3.34 1.96 0.02 -1.95 -3.46 113.55 111.80 1gm0 h SER 9 Ca -0.29 -0.51 -0.52 0.00 -0.84 0.00 0.00 61.79 59.63 1gm0 h SER 9 Cb 0.75 -0.26 0.04 0.00 0.14 0.00 0.00 62.40 63.06 1gm0 h SER 9 CO 0.02 1.29 0.68 -0.76 -1.14 0.00 0.00 176.83 176.93 1gm0 s LEU 10 N -8.55 4.41 -1.42 5.07 1.43 -1.26 -4.90 118.68 113.45 1gm0 s LEU 10 Ca -0.10 2.45 -0.10 0.00 -1.03 0.00 0.00 54.13 55.35 1gm0 s LEU 10 Cb 0.10 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1gm0 s LEU 10 CO 0.88 -0.58 2.63 -3.20 0.23 0.00 0.00 176.35 176.32 1gm0 n ASN 11 N 2.71 6.93 0.24 2.29 2.85 -0.74 -4.64 115.26 124.91 1gm0 n ASN 11 Ca 0.07 -2.57 0.07 0.00 -0.11 0.00 0.00 54.58 52.03 1gm0 n ASN 11 Cb 0.42 -1.47 0.57 0.00 1.24 0.00 0.00 39.78 40.54 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 5.56 0.00 0.51 1.20 0.04 -1.89 -3.18 116.94 119.17 1gm0 h PHE 12 Ca 0.73 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.49 1gm0 h PHE 12 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1gm0 h PHE 12 CO 1.80 0.12 -0.39 0.78 -0.60 0.00 0.00 178.31 180.02 1gm0 h GLY 13 N 0.36 -0.98 0.93 -1.45 0.00 -1.98 0.15 103.07 100.10 1gm0 h GLY 13 Ca -0.00 0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 1gm0 h GLY 13 CO 0.02 -0.34 0.12 0.50 0.00 0.00 0.00 176.54 176.83 1gm0 h LYS 14 N -0.88 0.58 0.01 4.80 1.79 -1.95 -1.38 116.57 119.55 1gm0 h LYS 14 Ca -0.06 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.30 1gm0 h LYS 14 Cb 0.74 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 1gm0 h LYS 14 CO 0.01 0.60 -0.08 0.00 -1.08 0.00 0.00 179.45 178.90 1gm0 h ALA 15 N 0.96 -0.09 -0.80 3.86 0.00 -1.50 -1.48 119.26 120.21 1gm0 h ALA 15 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1gm0 h ALA 15 Cb 0.26 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1gm0 h ALA 15 CO -0.00 -0.58 0.52 -0.07 0.00 0.00 0.00 179.25 179.12 1gm0 h LEU 16 N -0.14 0.87 -2.80 0.00 3.38 -0.66 -0.50 115.31 115.47 1gm0 h LEU 16 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gm0 h LEU 16 Cb 0.18 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1gm0 h LEU 16 CO -0.07 0.61 -0.00 -0.78 0.09 0.00 0.00 178.44 178.29 1gm0 h ASP 17 N 1.03 0.00 0.00 -0.43 3.58 -0.66 0.11 116.42 120.05 1gm0 h ASP 17 Ca 0.31 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.69 1gm0 h ASP 17 Cb -0.04 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1gm0 h ASP 17 CO -0.10 0.00 -0.50 -0.33 -2.88 0.00 0.00 179.24 175.44 1gm0 h GLU 18 N 0.00 0.00 -0.66 0.28 5.08 -0.24 -3.38 114.58 115.66 1gm0 h GLU 18 Ca -0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1gm0 h GLU 18 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1gm0 h GLU 18 CO 0.00 0.63 0.44 0.00 -1.00 0.00 0.00 179.01 179.08 1gm0 h LYS 20 N 0.64 0.00 0.02 0.00 5.09 -1.04 -1.29 116.57 119.99 1gm0 h LYS 20 Ca 0.29 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.73 1gm0 h LYS 20 Cb 0.32 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.60 1gm0 h LYS 20 CO -0.09 0.00 -1.69 0.87 -2.09 0.00 0.00 179.45 176.44 1gm0 h LYS 21 N 0.00 0.03 -0.28 0.07 1.57 -0.66 -1.80 116.57 115.49 1gm0 h LYS 21 Ca 0.13 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1gm0 h LYS 21 Cb 0.51 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1gm0 h LYS 21 CO -0.00 0.61 0.00 0.93 -0.57 0.00 0.00 179.45 180.42 1gm0 h GLU 22 N 0.01 0.50 0.00 3.15 5.08 -0.15 -3.09 114.58 120.08 1gm0 h GLU 22 Ca -0.28 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1gm0 h GLU 22 Cb 2.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1gm0 h GLU 22 CO 0.09 0.65 -0.82 -1.33 -1.00 0.00 0.00 179.01 176.60 1gm0 n MET 23 N -4.59 0.19 -3.43 2.33 2.81 -0.57 -5.00 117.12 108.86 1gm0 n MET 23 Ca -0.03 0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.75 1gm0 n MET 23 Cb 0.25 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1gm0 n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1gm0 n THR 24 N -1.83 -6.74 -1.73 2.03 -1.04 -1.05 -5.03 114.28 98.88 1gm0 n THR 24 Ca 0.03 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.05 61.78 1gm0 n THR 24 Cb 0.40 -4.93 0.08 0.00 -1.82 0.00 0.00 70.33 64.06 1gm0 n THR 24 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1gm0 n LEU 25 N -2.23 0.00 -4.46 -4.42 4.77 -0.70 -5.03 117.00 104.94 1gm0 n LEU 25 Ca -0.16 -0.74 -0.30 0.00 -0.03 0.00 0.00 56.01 54.77 1gm0 n LEU 25 Cb 0.60 -0.40 0.26 0.00 -2.33 0.00 0.00 43.42 41.55 1gm0 n LEU 25 CO 0.59 -0.86 0.52 0.42 -1.33 0.00 0.00 177.39 176.73 1gm0 s THR 26 N -1.95 1.40 -0.07 -5.08 -4.23 -1.26 -4.99 115.64 99.45 1gm0 s THR 26 Ca 0.32 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.96 1gm0 s THR 26 Cb -0.01 -2.30 -0.20 0.00 1.34 0.00 0.00 72.50 71.34 1gm0 s THR 26 CO 0.22 0.00 0.31 -0.67 -0.54 0.00 0.00 174.62 173.94 1gm0 n ASP 27 N -5.19 1.90 -0.37 3.99 2.03 -1.26 -4.53 116.55 113.12 1gm0 n ASP 27 Ca 0.13 -0.07 0.29 0.00 0.52 0.00 0.00 54.79 55.66 1gm0 n ASP 27 Cb 0.60 1.54 0.56 0.00 -0.72 0.00 0.00 41.12 43.09 1gm0 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gm0 h ALA 28 N 1.24 2.37 -1.37 -1.67 0.00 -2.01 -2.16 119.26 115.66 1gm0 h ALA 28 Ca 0.00 0.11 0.47 0.00 0.00 0.00 0.00 54.91 55.49 1gm0 h ALA 28 Cb 0.57 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 1gm0 h ALA 28 CO 0.00 -0.92 0.88 0.44 0.00 0.00 0.00 179.25 179.66 1gm0 n ILE 29 N -4.76 -0.24 0.41 0.00 -6.64 -1.26 -0.34 119.36 106.54 1gm0 n ILE 29 Ca 0.32 1.75 0.13 0.00 -1.77 0.00 0.00 62.75 63.17 1gm0 n ILE 29 Cb 1.13 -2.86 0.49 0.00 -1.44 0.00 0.00 39.64 36.96 1gm0 n ILE 29 CO 0.00 0.00 0.00 -1.13 -1.77 0.00 0.00 176.55 173.65 1gm0 h ASN 30 N 0.00 0.00 0.00 7.28 -1.24 -1.74 -0.78 115.58 119.10 1gm0 h ASN 30 Ca 0.86 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 57.61 1gm0 h ASN 30 Cb 2.81 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 41.82 1gm0 h ASN 30 CO -0.44 0.00 -1.75 -0.62 -1.29 0.00 0.00 177.43 173.33 1gm0 n GLU 31 N -2.46 0.56 -0.18 6.67 1.02 0.02 -4.78 120.64 121.49 1gm0 n GLU 31 Ca 0.03 0.31 0.19 0.00 -0.02 0.00 0.00 57.16 57.67 1gm0 n GLU 31 Cb 0.30 -1.53 0.55 0.00 -0.02 0.00 0.00 31.44 30.75 1gm0 n GLU 31 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1gm0 h ASP 32 N -1.00 0.31 0.32 1.62 3.58 -0.29 0.12 116.42 121.08 1gm0 h ASP 32 Ca -0.39 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 1gm0 h ASP 32 Cb 1.30 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1gm0 h ASP 32 CO -0.24 0.14 -0.16 0.15 -2.88 0.00 0.00 179.24 176.26 1gm0 h PHE 33 N 0.32 -0.40 -0.50 0.28 3.57 -1.41 -1.12 116.94 117.69 1gm0 h PHE 33 Ca 0.40 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.81 1gm0 h PHE 33 Cb 1.08 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1gm0 h PHE 33 CO -0.00 -0.20 0.01 1.88 -2.23 0.00 0.00 178.31 177.77 1gm0 h TYR 34 N -0.52 0.95 -0.06 0.41 -1.99 -1.21 -3.07 116.97 111.49 1gm0 h TYR 34 Ca -0.04 -0.16 0.02 0.00 2.00 0.00 0.00 58.73 60.54 1gm0 h TYR 34 Cb 0.39 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 38.87 1gm0 h TYR 34 CO -0.03 0.89 0.05 -0.91 -0.00 0.00 0.00 178.16 178.15 1gm0 h ASN 35 N 0.74 0.00 -1.10 3.88 4.21 -0.73 -1.91 115.58 120.67 1gm0 h ASN 35 Ca 0.14 0.00 0.32 0.00 1.21 0.00 0.00 56.30 57.98 1gm0 h ASN 35 Cb 0.50 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 37.58 1gm0 h ASN 35 CO 0.02 0.00 0.68 0.15 -1.29 0.00 0.00 177.43 176.99 1gm0 h PHE 36 N 0.00 0.73 0.00 1.19 3.57 -1.10 -0.43 116.94 120.91 1gm0 h PHE 36 Ca 0.03 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1gm0 h PHE 36 Cb 0.12 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1gm0 h PHE 36 CO 0.00 -0.08 -0.61 -1.49 -2.23 0.00 0.00 178.31 173.90 1gm0 h TRP 37 N 0.31 0.00 -3.66 0.41 6.55 -1.55 -3.46 115.95 114.55 1gm0 h TRP 37 Ca 0.70 0.00 -0.56 0.00 0.95 0.00 0.00 58.89 59.98 1gm0 h TRP 37 Cb 1.81 0.00 0.13 0.00 -0.86 0.00 0.00 29.16 30.24 1gm0 h TRP 37 CO -0.01 0.61 0.48 1.63 -1.05 0.00 0.00 178.44 180.11 1gm0 n LYS 38 N -3.48 1.77 -1.69 0.49 5.02 -0.17 -4.96 118.16 115.14 1gm0 n LYS 38 Ca 0.00 0.64 -0.34 0.00 -2.02 0.00 0.00 58.31 56.59 1gm0 n LYS 38 Cb 0.69 -2.41 0.06 0.00 -0.02 0.00 0.00 35.03 33.36 1gm0 n LYS 38 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1gm0 s GLU 39 N -2.42 2.56 0.00 1.97 8.01 -1.26 -3.49 118.70 124.07 1gm0 s GLU 39 Ca 0.65 1.67 0.00 0.00 0.01 0.00 0.00 54.97 57.30 1gm0 s GLU 39 Cb -0.48 -1.89 0.00 0.00 -4.31 0.00 0.00 34.13 27.45 1gm0 s GLU 39 CO 0.55 -1.49 0.00 0.41 0.01 0.00 0.00 175.26 174.74 1gm0 n GLY 40 N 0.17 0.24 3.41 -1.39 0.00 -1.26 -4.96 105.19 101.39 1gm0 n GLY 40 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.60 2.99 -0.62 1.61 6.14 -1.23 -5.07 117.35 119.58 1gm0 s TYR 41 Ca 0.00 -0.57 -0.12 0.00 0.64 0.00 0.00 57.07 57.02 1gm0 s TYR 41 Cb 0.00 -2.05 0.16 0.00 0.42 0.00 0.00 41.96 40.49 1gm0 s TYR 41 CO 0.00 -0.29 0.53 -1.21 0.64 0.00 0.00 175.55 175.23 1gm0 s GLU 42 N 0.97 2.98 -1.10 4.97 8.01 -1.26 -4.92 118.70 128.36 1gm0 s GLU 42 Ca 0.01 -2.05 -0.07 0.00 0.01 0.00 0.00 54.97 52.87 1gm0 s GLU 42 Cb -0.14 -4.17 0.29 0.00 -4.31 0.00 0.00 34.13 25.79 1gm0 s GLU 42 CO 0.01 -1.26 1.25 -0.89 0.01 0.00 0.00 175.26 174.38 1gm0 n ILE 43 N 4.57 4.82 -2.49 -1.63 -0.00 -1.26 -4.85 119.36 118.51 1gm0 n ILE 43 Ca -0.01 -5.59 -0.34 0.00 -0.00 0.00 0.00 62.75 56.80 1gm0 n ILE 43 Cb 0.42 -2.39 0.01 0.00 -0.00 0.00 0.00 39.64 37.68 1gm0 n ILE 43 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 1gm0 n LYS 44 N 2.14 3.81 -4.44 0.38 2.85 -1.26 -4.98 118.16 116.66 1gm0 n LYS 44 Ca 0.25 -4.39 -0.22 0.00 -1.05 0.00 0.00 58.31 52.90 1gm0 n LYS 44 Cb 0.37 -2.32 -0.10 0.00 -0.65 0.00 0.00 35.03 32.33 1gm0 n LYS 44 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1gm0 s ASN 45 N -2.25 2.85 0.03 -5.58 2.47 -1.26 -5.08 114.94 106.12 1gm0 s ASN 45 Ca 0.47 -1.19 -0.22 0.00 0.42 0.00 0.00 52.86 52.34 1gm0 s ASN 45 Cb 0.32 -0.18 -0.15 0.00 -1.45 0.00 0.00 41.25 39.78 1gm0 s ASN 45 CO -0.22 -0.33 1.35 0.03 -3.72 0.00 0.00 177.10 174.21 1gm0 h ARG 46 N 2.25 0.27 0.00 0.43 3.08 -1.94 -3.31 114.38 115.15 1gm0 h ARG 46 Ca -0.40 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.47 1gm0 h ARG 46 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1gm0 h ARG 46 CO 0.67 0.66 -0.21 0.93 -1.07 0.00 0.00 179.97 180.95 1gm0 h GLU 47 N -0.11 0.00 -0.31 0.04 3.07 -1.98 0.42 114.58 115.71 1gm0 h GLU 47 Ca 0.02 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 1gm0 h GLU 47 Cb 0.60 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1gm0 h GLU 47 CO 0.02 0.21 -0.17 1.15 -1.40 0.00 0.00 179.01 178.82 1gm0 h THR 48 N 0.00 1.25 -0.74 1.13 2.02 -1.94 0.31 112.91 114.95 1gm0 h THR 48 Ca -0.00 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 1gm0 h THR 48 Cb 0.39 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1gm0 h THR 48 CO 0.03 0.37 0.25 1.23 0.37 0.00 0.00 175.52 177.77 1gm0 h GLY 49 N 0.97 1.21 1.00 2.16 0.00 -1.10 -1.93 103.07 105.38 1gm0 h GLY 49 Ca 0.08 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 1gm0 h GLY 49 CO 0.04 0.65 0.12 0.00 0.00 0.00 0.00 176.54 177.35 1gm0 h ALA 51 N 1.01 -0.19 0.45 0.00 0.00 -0.16 -0.06 119.26 120.31 1gm0 h ALA 51 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1gm0 h ALA 51 Cb 0.36 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1gm0 h ALA 51 CO 0.00 -0.64 -0.52 0.82 0.00 0.00 0.00 179.25 178.92 1gm0 h ILE 52 N -0.24 0.00 0.00 0.00 2.04 -1.28 0.11 117.51 118.14 1gm0 h ILE 52 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1gm0 h ILE 52 Cb 0.28 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1gm0 h ILE 52 CO -0.10 0.00 -0.00 -0.03 0.00 0.00 0.00 178.15 178.02 1gm0 h MET 53 N -0.98 0.00 0.11 2.37 4.05 -0.89 0.19 114.93 119.78 1gm0 h MET 53 Ca -0.06 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.00 1gm0 h MET 53 Cb 0.87 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 1gm0 h MET 53 CO -0.10 0.00 -2.05 0.00 0.23 0.00 0.00 176.91 174.99 1gm0 h LEU 55 N 0.06 0.00 -2.48 0.00 3.38 0.09 -3.00 115.31 113.36 1gm0 h LEU 55 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1gm0 h LEU 55 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 1gm0 h LEU 55 CO 0.07 0.10 0.00 0.77 0.09 0.00 0.00 178.44 179.47 1gm0 h SER 56 N 0.00 0.00 0.00 -0.43 4.64 -1.15 -0.77 113.55 115.84 1gm0 h SER 56 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1gm0 h SER 56 Cb 0.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1gm0 h SER 56 CO 0.01 0.00 -0.52 1.07 -0.87 0.00 0.00 176.83 176.52 1gm0 n THR 57 N -2.89 2.05 -1.39 2.95 5.66 -1.13 -4.38 114.28 115.15 1gm0 n THR 57 Ca -0.02 -3.06 0.07 0.00 -3.05 0.00 0.00 64.05 57.99 1gm0 n THR 57 Cb 0.09 -0.16 0.10 0.00 -1.55 0.00 0.00 70.33 68.81 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 -1.02 0.89 -0.35 1.09 4.76 -0.30 -4.82 118.16 118.41 1gm0 n LYS 58 Ca 0.18 -2.12 0.11 0.00 -2.87 0.00 0.00 58.31 53.61 1gm0 n LYS 58 Cb 0.72 -1.18 0.30 0.00 -1.84 0.00 0.00 35.03 33.03 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 0.05 0.83 -2.55 -0.35 3.38 -1.78 0.41 115.31 115.28 1gm0 h LEU 59 Ca -0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gm0 h LEU 59 Cb 1.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1gm0 h LEU 59 CO 0.00 0.35 0.11 -0.55 0.09 0.00 0.00 178.44 178.45 1gm0 h ASN 60 N 0.84 0.00 0.12 -0.43 7.08 -1.85 0.55 115.58 121.88 1gm0 h ASN 60 Ca 0.55 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 53.45 1gm0 h ASN 60 Cb 0.76 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.99 1gm0 h ASN 60 CO -0.33 0.00 -1.66 0.24 -2.08 0.00 0.00 177.43 173.60 1gm0 h MET 61 N 0.00 0.26 -0.31 4.14 2.86 -1.30 -3.39 114.93 117.18 1gm0 h MET 61 Ca 0.00 -0.44 -0.14 0.00 -2.06 0.00 0.00 59.70 57.07 1gm0 h MET 61 Cb 0.23 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1gm0 h MET 61 CO 0.00 1.21 -0.34 -0.07 1.06 0.00 0.00 176.91 178.77 1gm0 h LEU 62 N -0.17 0.84 -8.59 1.22 3.38 -0.91 -3.42 115.31 107.66 1gm0 h LEU 62 Ca -0.36 -0.48 -0.67 0.00 0.09 0.00 0.00 57.88 56.46 1gm0 h LEU 62 Cb 1.87 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 42.21 1gm0 h LEU 62 CO 0.06 1.15 -0.06 1.51 0.09 0.00 0.00 178.44 181.20 1gm0 s ASP 63 N -6.67 6.26 0.01 -0.43 -4.77 0.04 -1.78 116.67 109.33 1gm0 s ASP 63 Ca -0.12 -0.45 -0.11 0.00 -3.30 0.00 0.00 52.55 48.57 1gm0 s ASP 63 Cb 0.09 -2.27 -0.32 0.00 -1.09 0.00 0.00 42.92 39.34 1gm0 s ASP 63 CO 0.85 -0.64 0.92 1.55 0.70 0.00 0.00 175.17 178.54 1gm0 h PRO 64 N 8.75 0.42 0.00 2.11 0.13 -1.86 -3.30 132.00 138.24 1gm0 h PRO 64 Ca -0.26 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 64.15 1gm0 h PRO 64 Cb 1.11 0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1gm0 h PRO 64 CO 0.83 1.33 0.00 0.39 -0.23 0.00 0.00 178.00 180.32 1gm0 n GLU 65 N -3.61 0.15 -2.45 0.86 1.02 -1.26 -4.95 120.64 110.39 1gm0 n GLU 65 Ca -0.17 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 56.88 1gm0 n GLU 65 Cb 1.08 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 31.01 1gm0 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gm0 n GLY 66 N 1.35 0.12 0.13 0.62 0.00 -1.25 -4.94 105.19 101.22 1gm0 n GLY 66 Ca 0.09 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1gm0 n GLY 66 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1gm0 h ASN 67 N -0.41 0.52 -3.49 1.61 7.08 -1.92 -3.47 115.58 115.50 1gm0 h ASN 67 Ca -0.22 -0.91 -0.61 0.00 -3.08 0.00 0.00 56.30 51.48 1gm0 h ASN 67 Cb 1.15 -0.17 -0.11 0.00 -2.08 0.00 0.00 38.32 37.11 1gm0 h ASN 67 CO 0.24 1.60 0.35 -0.22 -2.08 0.00 0.00 177.43 177.33 1gm0 s LEU 68 N -7.61 4.12 0.28 6.14 2.96 -1.26 -4.74 118.68 118.57 1gm0 s LEU 68 Ca -0.16 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.30 1gm0 s LEU 68 Cb 0.04 -3.02 -0.06 0.00 0.50 0.00 0.00 46.19 43.65 1gm0 s LEU 68 CO 0.83 -0.66 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.09 1gm0 s HIS 69 N 2.98 2.06 -0.10 5.38 3.76 -0.61 -4.62 115.29 124.15 1gm0 s HIS 69 Ca 0.31 -0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 54.35 1gm0 s HIS 69 Cb -0.14 -1.09 -0.06 0.00 1.11 0.00 0.00 32.58 32.40 1gm0 s HIS 69 CO 0.15 0.43 1.82 -1.58 -0.85 0.00 0.00 174.74 174.71 1gm0 s HIS 70 N -2.83 1.69 -1.33 1.40 2.46 -1.26 -1.01 115.29 114.41 1gm0 s HIS 70 Ca 0.29 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.97 1gm0 s HIS 70 Cb 0.01 -4.03 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 1gm0 s HIS 70 CO 0.12 -4.13 0.00 0.41 -2.47 0.00 0.00 174.74 168.68 1gm0 n GLY 71 N 4.63 1.34 2.57 1.59 0.00 0.59 -4.96 105.19 110.95 1gm0 n GLY 71 Ca 0.20 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1gm0 n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gm0 s ASN 72 N -2.85 1.57 -0.03 1.61 3.84 -0.18 -4.97 114.94 113.92 1gm0 s ASN 72 Ca 0.00 -2.18 0.05 0.00 0.21 0.00 0.00 52.86 50.94 1gm0 s ASN 72 Cb 0.00 0.11 0.07 0.00 -0.55 0.00 0.00 41.25 40.88 1gm0 s ASN 72 CO 0.00 -0.23 1.00 0.00 -2.79 0.00 0.00 177.10 175.08 1gm0 n ALA 73 N 3.71 1.99 -0.13 1.71 0.00 -1.26 -1.57 120.51 124.96 1gm0 n ALA 73 Ca 0.17 -1.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.14 1gm0 n ALA 73 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 0.75 -0.15 0.00 2.86 -1.93 0.19 114.93 116.65 1gm0 h MET 74 Ca 0.00 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.29 1gm0 h MET 74 Cb 0.68 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1gm0 h MET 74 CO 0.00 0.89 -0.16 0.93 1.06 0.00 0.00 176.91 179.63 1gm0 h GLU 75 N 0.56 0.38 -0.53 1.72 4.39 -1.91 -2.35 114.58 116.83 1gm0 h GLU 75 Ca 0.10 -0.20 0.08 0.00 0.34 0.00 0.00 59.36 59.68 1gm0 h GLU 75 Cb 0.62 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 1gm0 h GLU 75 CO 0.04 0.77 0.16 0.35 -1.16 0.00 0.00 179.01 179.17 1gm0 h PHE 76 N 0.01 0.27 -0.45 4.33 3.57 -1.81 -1.02 116.94 121.84 1gm0 h PHE 76 Ca 0.02 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1gm0 h PHE 76 Cb 0.70 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 1gm0 h PHE 76 CO 0.09 0.05 0.12 0.00 -2.23 0.00 0.00 178.31 176.34 1gm0 h ALA 77 N 1.38 0.51 0.00 2.41 0.00 -0.61 -0.95 119.26 122.01 1gm0 h ALA 77 Ca 0.27 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1gm0 h ALA 77 Cb 0.33 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1gm0 h ALA 77 CO -0.30 -0.28 -0.08 0.87 0.00 0.00 0.00 179.25 179.46 1gm0 h LYS 78 N 0.27 0.00 0.00 0.00 1.57 -0.74 -0.14 116.57 117.53 1gm0 h LYS 78 Ca 0.22 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1gm0 h LYS 78 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1gm0 h LYS 78 CO -0.26 0.08 -0.05 0.87 -0.57 0.00 0.00 179.45 179.52 1gm0 h LYS 79 N 0.00 0.00 -0.17 3.15 1.57 0.08 -2.55 116.57 118.65 1gm0 h LYS 79 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gm0 h LYS 79 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1gm0 h LYS 79 CO 0.01 0.05 0.00 0.72 -0.57 0.00 0.00 179.45 179.66 1gm0 n HIS 80 N -3.38 0.46 -1.28 -1.35 8.25 -0.22 -4.99 115.22 112.71 1gm0 n HIS 80 Ca -0.02 -0.77 -0.07 0.00 -0.26 0.00 0.00 57.72 56.60 1gm0 n HIS 80 Cb 0.19 -0.17 -0.03 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 -0.53 0.83 3.48 -1.41 0.00 -0.78 -4.80 105.19 101.99 1gm0 n GLY 81 Ca 0.15 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1gm0 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm0 s ALA 82 N -2.26 3.43 1.04 4.61 0.00 -0.31 -4.95 121.76 123.33 1gm0 s ALA 82 Ca 0.00 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.24 1gm0 s ALA 82 Cb 0.00 -3.05 0.23 0.00 0.00 0.00 0.00 23.12 20.30 1gm0 s ALA 82 CO 0.00 -1.59 1.23 -0.40 0.00 0.00 0.00 175.76 175.00 1gm0 n ASP 83 N 5.56 -0.24 -0.13 0.00 5.75 -1.26 -2.20 116.55 124.03 1gm0 n ASP 83 Ca -0.08 -1.41 -0.06 0.00 -0.01 0.00 0.00 54.79 53.24 1gm0 n ASP 83 Cb 0.47 -0.97 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1gm0 h GLU 84 N 0.00 -0.17 -0.02 0.11 4.81 -1.98 0.89 114.58 118.22 1gm0 h GLU 84 Ca -0.41 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.74 1gm0 h GLU 84 Cb 1.14 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1gm0 h GLU 84 CO 0.28 -0.12 -0.44 1.15 -0.73 0.00 0.00 179.01 179.16 1gm0 h THR 85 N -0.18 1.32 -0.23 0.32 2.02 -1.98 0.13 112.91 114.31 1gm0 h THR 85 Ca 0.20 -1.51 -0.07 0.00 0.77 0.00 0.00 66.41 65.80 1gm0 h THR 85 Cb 0.49 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1gm0 h THR 85 CO -0.53 0.43 -0.11 0.24 0.37 0.00 0.00 175.52 175.92 1gm0 h MET 86 N 0.03 0.48 0.18 6.66 2.86 -1.57 -1.94 114.93 121.62 1gm0 h MET 86 Ca -0.00 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1gm0 h MET 86 Cb 0.78 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1gm0 h MET 86 CO 0.06 0.75 -0.08 0.00 1.06 0.00 0.00 176.91 178.70 1gm0 h ALA 87 N 0.72 -0.24 -1.00 6.32 0.00 -0.64 -2.75 119.26 121.68 1gm0 h ALA 87 Ca 0.05 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1gm0 h ALA 87 Cb 0.61 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1gm0 h ALA 87 CO 0.03 -0.61 0.63 0.37 0.00 0.00 0.00 179.25 179.67 1gm0 h GLN 88 N -0.28 0.90 0.10 0.00 5.75 -0.78 0.26 115.11 121.06 1gm0 h GLN 88 Ca -0.02 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.44 1gm0 h GLN 88 Cb 0.22 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 1gm0 h GLN 88 CO 0.04 0.60 -0.29 1.96 -2.65 0.00 0.00 178.83 178.49 1gm0 h GLN 89 N 0.93 -0.48 -0.41 1.69 1.08 -1.17 -0.23 115.11 116.52 1gm0 h GLN 89 Ca 0.51 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.71 1gm0 h GLN 89 Cb 0.59 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1gm0 h GLN 89 CO -0.28 -0.32 0.13 -0.07 -0.95 0.00 0.00 178.83 177.34 1gm0 h LEU 90 N -0.50 0.54 -0.23 1.46 3.38 -0.77 -1.90 115.31 117.29 1gm0 h LEU 90 Ca 0.03 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1gm0 h LEU 90 Cb 0.53 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1gm0 h LEU 90 CO -0.18 0.51 -0.50 0.40 0.09 0.00 0.00 178.44 178.76 1gm0 h ILE 91 N 0.58 1.30 -0.64 1.22 2.04 -0.79 0.62 117.51 121.85 1gm0 h ILE 91 Ca 0.14 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 1gm0 h ILE 91 Cb 0.17 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1gm0 h ILE 91 CO -0.01 0.54 0.27 -0.78 0.00 0.00 0.00 178.15 178.18 1gm0 h ASP 92 N 0.47 0.84 -0.14 1.72 3.58 -0.80 -2.05 116.42 120.04 1gm0 h ASP 92 Ca 0.00 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 1gm0 h ASP 92 Cb 1.11 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 1gm0 h ASP 92 CO 0.11 0.74 0.05 0.40 -2.88 0.00 0.00 179.24 177.66 1gm0 h ILE 93 N 0.91 1.17 0.20 2.25 2.04 -1.09 0.39 117.51 123.39 1gm0 h ILE 93 Ca 0.22 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1gm0 h ILE 93 Cb 0.15 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1gm0 h ILE 93 CO -0.02 0.16 -0.35 0.58 0.00 0.00 0.00 178.15 178.52 1gm0 h VAL 94 N 0.06 0.27 0.00 1.67 2.07 -0.41 0.28 116.25 120.19 1gm0 h VAL 94 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1gm0 h VAL 94 Cb 0.20 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1gm0 h VAL 94 CO -0.00 0.00 0.00 0.45 0.02 0.00 0.00 177.57 178.04 1gm0 h HIS 95 N -0.63 0.00 0.01 1.57 3.86 -1.44 -1.29 115.15 117.23 1gm0 h HIS 95 Ca 0.01 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.03 1gm0 h HIS 95 Cb 0.62 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1gm0 h HIS 95 CO -0.27 0.00 -0.87 0.78 0.86 0.00 0.00 177.93 178.43 1gm0 h GLY 96 N 2.40 0.10 1.30 2.45 0.00 -0.15 -3.33 103.07 105.83 1gm0 h GLY 96 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1gm0 h GLY 96 CO 0.00 0.16 -0.79 0.00 0.00 0.00 0.00 176.54 175.91 1gm0 h GLU 98 N 0.00 0.00 0.00 0.00 5.08 -1.47 -2.84 114.58 115.35 1gm0 h GLU 98 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1gm0 h GLU 98 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1gm0 h GLU 98 CO 0.01 0.00 -0.10 0.87 -1.00 0.00 0.00 179.01 178.79 1gm0 h LYS 99 N 0.00 0.00 -0.76 2.33 1.79 -1.62 -3.38 116.57 114.93 1gm0 h LYS 99 Ca 0.01 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 1gm0 h LYS 99 Cb 0.08 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 1gm0 h LYS 99 CO -0.00 0.16 0.24 0.66 -1.08 0.00 0.00 179.45 179.43 1gm0 h SER 100 N -1.00 1.10 -2.64 0.86 4.64 -1.63 -3.41 113.55 111.47 1gm0 h SER 100 Ca -0.01 -0.20 -0.53 0.00 -0.47 0.00 0.00 61.79 60.58 1gm0 h SER 100 Cb 0.23 -0.29 0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1gm0 h SER 100 CO -0.01 1.01 1.03 -0.89 -0.87 0.00 0.00 176.83 177.11 1gm0 s THR 101 N -5.43 2.74 0.23 2.95 2.01 -1.07 -4.97 115.64 112.10 1gm0 s THR 101 Ca -0.12 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1gm0 s THR 101 Cb 0.15 -3.18 -0.10 0.00 0.01 0.00 0.00 72.50 69.39 1gm0 s THR 101 CO 0.85 0.00 1.41 -2.16 -0.69 0.00 0.00 174.62 174.02 1gm0 s PRO 102 N 2.45 4.30 -0.59 4.92 0.04 -1.26 -4.88 135.00 139.98 1gm0 s PRO 102 Ca 0.76 2.23 -0.26 0.00 0.04 0.00 0.00 61.00 63.77 1gm0 s PRO 102 Cb -0.43 -3.14 -0.08 0.00 0.04 0.00 0.00 34.50 30.89 1gm0 s PRO 102 CO 0.34 -0.38 2.36 0.00 0.04 0.00 0.00 177.00 179.37 1gm0 s ALA 103 N 0.07 1.40 0.38 8.56 0.00 -1.26 -4.85 121.76 126.06 1gm0 s ALA 103 Ca 0.59 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 52.02 1gm0 s ALA 103 Cb -0.40 -4.41 -0.10 0.00 0.00 0.00 0.00 23.12 18.20 1gm0 s ALA 103 CO 0.41 -4.85 0.96 1.21 0.00 0.00 0.00 175.76 173.50 1gm0 s ASN 104 N 11.50 7.08 0.46 0.00 3.84 -1.26 -4.95 114.94 131.61 1gm0 s ASN 104 Ca 0.94 1.82 0.31 0.00 0.21 0.00 0.00 52.86 56.14 1gm0 s ASN 104 Cb -0.15 -2.57 1.63 0.00 -0.55 0.00 0.00 41.25 39.61 1gm0 s ASN 104 CO 0.20 -0.25 1.95 -0.78 -2.79 0.00 0.00 177.10 175.43 1gm0 h ASP 105 N 2.58 0.00 -3.59 -4.21 3.58 -2.01 -3.39 116.42 109.38 1gm0 h ASP 105 Ca -0.48 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.30 1gm0 h ASP 105 Cb 1.19 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.92 1gm0 h ASP 105 CO 0.63 0.00 -0.73 -0.62 -2.88 0.00 0.00 179.24 175.64 1gm0 s ASP 106 N -4.59 4.51 0.43 2.28 -1.08 -1.26 -5.01 116.67 111.94 1gm0 s ASP 106 Ca -0.02 -0.97 0.11 0.00 -0.52 0.00 0.00 52.55 51.15 1gm0 s ASP 106 Cb 0.09 -1.69 0.95 0.00 -1.46 0.00 0.00 42.92 40.81 1gm0 s ASP 106 CO 0.32 -0.17 2.01 0.50 0.52 0.00 0.00 175.17 178.36 1gm0 h LYS 107 N 8.02 0.20 0.23 4.34 1.63 -2.00 -0.64 116.57 128.35 1gm0 h LYS 107 Ca -0.30 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.46 1gm0 h LYS 107 Cb 1.10 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1gm0 h LYS 107 CO 0.56 0.25 -0.11 0.00 -3.45 0.00 0.00 179.45 176.71 1gm0 h ILE 109 N -0.37 1.30 0.14 0.00 2.04 -1.65 -0.45 117.51 118.52 1gm0 h ILE 109 Ca -0.03 -1.79 0.01 0.00 1.00 0.00 0.00 64.86 64.05 1gm0 h ILE 109 Cb 0.29 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1gm0 h ILE 109 CO 0.05 0.57 -0.51 -0.25 0.00 0.00 0.00 178.15 178.01 1gm0 h TRP 110 N 0.52 -1.45 -0.92 1.37 7.01 -1.18 -1.80 115.95 119.50 1gm0 h TRP 110 Ca 0.01 0.04 0.09 0.00 2.11 0.00 0.00 58.89 61.13 1gm0 h TRP 110 Cb 1.14 0.62 -0.07 0.00 -2.10 0.00 0.00 29.16 28.74 1gm0 h TRP 110 CO 0.06 -0.59 0.56 1.15 -2.79 0.00 0.00 178.44 176.83 1gm0 h THR 111 N -0.75 0.97 -0.67 2.65 2.02 -0.56 0.11 112.91 116.67 1gm0 h THR 111 Ca -0.00 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1gm0 h THR 111 Cb 0.75 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1gm0 h THR 111 CO -0.27 0.17 0.12 0.25 0.37 0.00 0.00 175.52 176.16 1gm0 h LEU 112 N 0.96 1.06 -0.13 2.58 6.46 -1.06 -0.62 115.31 124.55 1gm0 h LEU 112 Ca 0.43 -0.25 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1gm0 h LEU 112 Cb 0.33 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 39.91 1gm0 h LEU 112 CO -0.23 1.04 -0.33 1.23 -0.62 0.00 0.00 178.44 179.54 1gm0 h GLY 113 N 1.06 -0.46 0.35 3.75 0.00 0.04 0.22 103.07 108.02 1gm0 h GLY 113 Ca 0.21 0.40 0.05 0.00 0.00 0.00 0.00 47.33 47.99 1gm0 h GLY 113 CO 0.01 -0.22 -0.16 -2.08 0.00 0.00 0.00 176.54 174.09 1gm0 h VAL 114 N -0.41 0.56 0.00 4.60 2.07 -0.85 -0.78 116.25 121.44 1gm0 h VAL 114 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1gm0 h VAL 114 Cb 0.55 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1gm0 h VAL 114 CO -0.35 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.24 1gm0 n ALA 115 N -2.64 1.90 -0.09 1.67 0.00 -0.26 -0.88 120.51 120.21 1gm0 n ALA 115 Ca -0.01 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 1gm0 n ALA 115 Cb 0.23 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 1gm0 n ALA 115 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1gm0 h THR 116 N 0.00 1.33 -0.56 0.00 2.02 0.69 -3.37 112.91 113.03 1gm0 h THR 116 Ca 0.00 -2.24 0.07 0.00 0.77 0.00 0.00 66.41 65.01 1gm0 h THR 116 Cb 0.19 2.75 -0.06 0.00 -1.74 0.00 0.00 68.15 69.30 1gm0 h THR 116 CO 0.00 0.45 0.25 0.00 0.37 0.00 0.00 175.52 176.59 1gm0 h PHE 118 N 0.47 -1.46 -0.97 0.00 3.57 -1.19 -2.06 116.94 115.31 1gm0 h PHE 118 Ca 0.26 0.04 0.20 0.00 3.53 0.00 0.00 57.97 62.00 1gm0 h PHE 118 Cb 0.24 0.63 -0.11 0.00 2.79 0.00 0.00 35.95 39.49 1gm0 h PHE 118 CO -0.13 -0.57 0.55 -0.22 -2.23 0.00 0.00 178.31 175.71 1gm0 h LYS 119 N -0.71 0.64 0.00 1.11 3.64 -1.70 0.97 116.57 120.52 1gm0 h LYS 119 Ca 0.01 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1gm0 h LYS 119 Cb 0.73 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1gm0 h LYS 119 CO -0.30 0.42 -0.39 0.00 -2.27 0.00 0.00 179.45 176.91 1gm0 h ALA 120 N 1.66 1.24 0.01 5.00 0.00 -1.33 -2.59 119.26 123.24 1gm0 h ALA 120 Ca 0.57 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 1gm0 h ALA 120 Cb 0.95 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1gm0 h ALA 120 CO -0.42 0.48 -0.99 0.93 0.00 0.00 0.00 179.25 179.26 1gm0 h GLU 121 N 0.00 0.49 -0.84 0.00 4.39 -0.31 -2.89 114.58 115.41 1gm0 h GLU 121 Ca -0.00 -0.54 0.17 0.00 0.34 0.00 0.00 59.36 59.33 1gm0 h GLU 121 Cb 0.74 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.48 1gm0 h GLU 121 CO 0.05 1.17 0.56 0.82 -1.16 0.00 0.00 179.01 180.45 1gm0 h ILE 122 N 0.27 0.75 0.00 3.13 2.04 -1.20 0.43 117.51 122.94 1gm0 h ILE 122 Ca -0.10 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1gm0 h ILE 122 Cb 1.63 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1gm0 h ILE 122 CO 0.18 0.08 0.00 1.57 0.00 0.00 0.00 178.15 179.98 1gm0 n HIS 123 N -4.51 0.89 -0.02 1.37 -0.00 -0.99 -2.54 115.22 109.41 1gm0 n HIS 123 Ca 0.17 0.32 -0.07 0.00 0.46 0.00 0.00 57.72 58.61 1gm0 n HIS 123 Cb 0.59 -1.02 -0.13 0.00 -0.12 0.00 0.00 29.99 29.30 1gm0 n HIS 123 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1gm0 n LYS 124 N -2.29 0.64 -0.94 1.57 5.02 0.04 -4.94 118.16 117.26 1gm0 n LYS 124 Ca 0.03 0.22 -0.31 0.00 -2.02 0.00 0.00 58.31 56.24 1gm0 n LYS 124 Cb 0.28 -1.75 0.15 0.00 -0.02 0.00 0.00 35.03 33.69 1gm0 n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gm0 s LEU 125 N -5.90 2.64 0.00 -0.35 1.43 -0.58 -4.96 118.68 110.97 1gm0 s LEU 125 Ca -0.05 1.91 0.27 0.00 -1.03 0.00 0.00 54.13 55.23 1gm0 s LEU 125 Cb 0.08 -4.35 0.94 0.00 0.03 0.00 0.00 46.19 42.89 1gm0 s LEU 125 CO 0.82 -2.79 1.68 -0.46 0.23 0.00 0.00 176.35 175.84 1gm0 n ASN 126 N -4.01 0.94 -4.01 2.29 6.94 -1.26 -4.92 115.26 111.23 1gm0 n ASN 126 Ca 0.09 -0.91 -0.25 0.00 -0.02 0.00 0.00 54.58 53.49 1gm0 n ASN 126 Cb 0.53 0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.93 1gm0 n ASN 126 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1gm0 s TRP 127 N -2.40 1.77 -0.25 -2.53 1.48 -1.26 -5.16 118.94 110.59 1gm0 s TRP 127 Ca 0.28 -1.35 -0.03 0.00 -1.06 0.00 0.00 56.10 53.95 1gm0 s TRP 127 Cb 0.20 -1.10 0.11 0.00 -1.16 0.00 0.00 33.47 31.52 1gm0 s TRP 127 CO 0.48 -0.38 0.23 0.00 -4.06 0.00 0.00 176.95 173.22 1gm0 s ALA 128 N -3.24 -0.19 0.75 2.67 0.00 -1.26 -4.87 121.76 115.63 1gm0 s ALA 128 Ca 0.25 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.84 1gm0 s ALA 128 Cb 0.02 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 1gm0 s ALA 128 CO 0.16 -1.50 0.72 -2.30 0.00 0.00 0.00 175.76 172.85 1gm0 n PRO 129 N 5.30 0.29 -1.92 0.00 -0.02 -1.26 -4.97 135.00 132.43 1gm0 n PRO 129 Ca -0.04 0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 1gm0 n PRO 129 Cb 0.47 -2.02 0.03 0.00 -0.02 0.00 0.00 33.50 31.97 1gm0 n PRO 129 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1gm0 s SER 130 N -1.64 5.29 0.36 2.55 0.01 -1.26 -4.84 113.70 114.16 1gm0 s SER 130 Ca 0.68 2.56 0.05 0.00 1.31 0.00 0.00 55.95 60.56 1gm0 s SER 130 Cb -0.33 -2.62 0.69 0.00 0.21 0.00 0.00 66.02 63.97 1gm0 s SER 130 CO 0.56 -1.54 1.94 0.24 0.41 0.00 0.00 173.24 174.85 1gm0 h MET 131 N 1.26 0.52 -0.84 12.44 2.86 -1.98 -0.52 114.93 128.67 1gm0 h MET 131 Ca -0.51 -0.08 0.16 0.00 -2.06 0.00 0.00 59.70 57.21 1gm0 h MET 131 Cb 1.30 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.81 1gm0 h MET 131 CO 0.56 0.48 0.55 -0.44 1.06 0.00 0.00 176.91 179.13 1gm0 h ASP 132 N 0.51 0.48 0.13 1.22 5.19 -1.97 0.31 116.42 122.29 1gm0 h ASP 132 Ca 0.12 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1gm0 h ASP 132 Cb 0.20 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1gm0 h ASP 132 CO -0.00 0.24 -0.06 0.58 -3.12 0.00 0.00 179.24 176.87 1gm0 h VAL 133 N 0.51 0.00 -0.09 -1.35 2.07 -1.49 -1.94 116.25 113.96 1gm0 h VAL 133 Ca 0.42 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.83 1gm0 h VAL 133 Cb 0.88 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1gm0 h VAL 133 CO -0.16 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.14 1gm0 h ALA 134 N -1.77 -0.34 -0.33 1.67 0.00 -0.82 0.25 119.26 117.93 1gm0 h ALA 134 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gm0 h ALA 134 Cb 0.13 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1gm0 h ALA 134 CO 0.03 -0.77 0.21 0.28 0.00 0.00 0.00 179.25 179.00 1gm0 h VAL 135 N -0.38 1.10 -0.92 0.00 2.07 -0.61 -2.45 116.25 115.07 1gm0 h VAL 135 Ca 0.09 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1gm0 h VAL 135 Cb 0.52 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1gm0 h VAL 135 CO -0.31 0.10 0.59 1.23 0.02 0.00 0.00 177.57 179.20 1gm0 h GLY 136 N 0.44 1.35 0.12 2.17 0.00 -0.16 -2.15 103.07 104.84 1gm0 h GLY 136 Ca 0.12 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1gm0 h GLY 136 CO -0.02 0.18 -0.01 0.83 0.00 0.00 0.00 176.54 177.52 1gm0 h GLU 137 N 0.89 -0.04 0.00 4.80 5.08 -0.42 -1.36 114.58 123.53 1gm0 h GLU 137 Ca 0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1gm0 h GLU 137 Cb 0.46 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1gm0 h GLU 137 CO -0.20 0.66 -0.05 0.97 -1.00 0.00 0.00 179.01 179.39 1gm0 h ILE 138 N -0.92 0.81 -0.21 3.13 2.10 -1.41 0.12 117.51 121.14 1gm0 h ILE 138 Ca -0.00 -0.19 -0.07 0.00 1.08 0.00 0.00 64.86 65.68 1gm0 h ILE 138 Cb 0.71 1.11 -0.00 0.00 -1.09 0.00 0.00 36.82 37.55 1gm0 h ILE 138 CO 0.01 0.05 -0.13 -0.07 -1.08 0.00 0.00 178.15 176.92 1gm0 h LEU 139 N 0.00 0.48 -1.76 2.19 3.38 -1.42 -0.73 115.31 117.45 1gm0 h LEU 139 Ca -0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1gm0 h LEU 139 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1gm0 h LEU 139 CO 0.01 0.81 0.17 0.00 0.09 0.00 0.00 178.44 179.52 1gm0 h ALA 140 N 0.68 1.14 0.00 1.53 0.00 0.42 -3.36 119.26 119.67 1gm0 h ALA 140 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gm0 h ALA 140 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gm0 h ALA 140 CO 0.04 -0.14 -0.33 0.39 0.00 0.00 0.00 179.25 179.21 1gm0 n GLU 141 N -2.54 0.17 0.00 0.00 1.02 -0.86 -0.30 120.64 118.13 1gm0 n GLU 141 Ca -0.02 0.07 0.05 0.00 -0.02 0.00 0.00 57.16 57.24 1gm0 n GLU 141 Cb 0.21 -0.76 0.31 0.00 -0.02 0.00 0.00 31.44 31.18 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59