#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 1.67 -0.45 1.43 -0.21 -1.26 -5.11 119.66 115.74 1gm0 s GLN 2 Ca 0.00 -1.94 0.08 0.00 0.02 0.00 0.00 55.36 53.52 1gm0 s GLN 2 Cb 0.00 -0.77 0.27 0.00 1.00 0.00 0.00 33.01 33.51 1gm0 s GLN 2 CO 0.00 -0.25 0.62 0.39 -2.12 0.00 0.00 175.29 173.93 1gm0 n GLU 3 N -0.70 1.26 -3.19 2.91 1.02 -1.26 -4.89 120.64 115.79 1gm0 n GLU 3 Ca -0.03 -3.63 -0.21 0.00 -0.02 0.00 0.00 57.16 53.27 1gm0 n GLU 3 Cb 0.66 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 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 1.04 -0.34 -0.21 2.62 0.31 -1.26 -4.90 118.33 115.59 1gm0 n VAL 4 Ca 0.24 -4.35 0.01 0.00 -0.01 0.00 0.00 64.34 60.24 1gm0 n VAL 4 Cb 0.52 -1.07 0.02 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.79 2.60 -1.58 5.55 0.00 -1.26 -5.06 117.12 118.17 1gm0 n MET 5 Ca 0.23 -1.60 -0.38 0.00 0.00 0.00 0.00 57.70 55.95 1gm0 n MET 5 Cb 0.59 -1.04 0.05 0.00 0.00 0.00 0.00 33.22 32.82 1gm0 n MET 5 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1gm0 n LYS 6 N -0.61 0.77 -4.35 3.17 2.85 -1.26 -5.06 118.16 113.68 1gm0 n LYS 6 Ca 0.02 0.30 -0.18 0.00 -1.05 0.00 0.00 58.31 57.41 1gm0 n LYS 6 Cb 0.32 -2.05 -0.10 0.00 -0.65 0.00 0.00 35.03 32.54 1gm0 n LYS 6 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1gm0 s ASN 7 N -1.26 1.65 0.26 -5.58 2.47 -1.26 -5.13 114.94 106.09 1gm0 s ASN 7 Ca 0.75 -1.33 -0.31 0.00 0.42 0.00 0.00 52.86 52.39 1gm0 s ASN 7 Cb -0.42 0.06 -0.13 0.00 -1.45 0.00 0.00 41.25 39.31 1gm0 s ASN 7 CO 0.48 -0.63 1.49 -0.11 -3.72 0.00 0.00 177.10 174.61 1gm0 n LEU 8 N -0.49 3.65 -0.00 3.21 -0.00 -1.26 -4.89 117.00 117.22 1gm0 n LEU 8 Ca -0.02 1.14 -0.00 0.00 -0.00 0.00 0.00 56.01 57.13 1gm0 n LEU 8 Cb 0.66 -1.50 -0.00 0.00 -0.00 0.00 0.00 43.42 42.57 1gm0 n LEU 8 CO 0.38 -0.21 -0.51 -0.24 -0.00 0.00 0.00 177.39 176.81 1gm0 n SER 9 N 2.18 4.87 -4.72 1.96 2.88 -1.26 -5.06 113.62 114.48 1gm0 n SER 9 Ca 0.10 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.27 1gm0 n SER 9 Cb 0.34 0.67 0.06 0.00 -0.75 0.00 0.00 64.21 64.53 1gm0 n SER 9 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1gm0 n LEU 10 N -1.86 5.75 -3.48 2.46 4.77 -1.26 -4.87 117.00 118.51 1gm0 n LEU 10 Ca -0.01 0.87 -0.40 0.00 -0.03 0.00 0.00 56.01 56.44 1gm0 n LEU 10 Cb 0.36 -1.55 -0.02 0.00 -2.33 0.00 0.00 43.42 39.88 1gm0 n LEU 10 CO 0.01 -0.94 2.89 -3.20 -1.33 0.00 0.00 177.39 174.83 1gm0 n ASN 11 N -1.57 7.42 -0.14 -1.43 2.85 -1.07 -4.63 115.26 116.69 1gm0 n ASN 11 Ca 0.14 -2.82 0.03 0.00 -0.11 0.00 0.00 54.58 51.83 1gm0 n ASN 11 Cb 0.47 -1.52 0.33 0.00 1.24 0.00 0.00 39.78 40.30 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 5.14 0.77 -0.03 1.20 0.04 -1.89 -3.09 116.94 119.08 1gm0 h PHE 12 Ca 0.74 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.55 1gm0 h PHE 12 Cb 0.38 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 1gm0 h PHE 12 CO 1.68 0.46 -0.51 0.78 -0.60 0.00 0.00 178.31 180.13 1gm0 h GLY 13 N 0.81 -1.14 0.88 -1.45 0.00 -1.98 0.22 103.07 100.42 1gm0 h GLY 13 Ca 0.25 0.67 -0.00 0.00 0.00 0.00 0.00 47.33 48.24 1gm0 h GLY 13 CO -0.06 -0.24 0.03 0.50 0.00 0.00 0.00 176.54 176.76 1gm0 h LYS 14 N -0.62 0.09 -0.61 4.80 1.79 -1.93 -1.37 116.57 118.73 1gm0 h LYS 14 Ca 0.02 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1gm0 h LYS 14 Cb 0.67 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.28 1gm0 h LYS 14 CO -0.36 0.19 0.40 0.00 -1.08 0.00 0.00 179.45 178.61 1gm0 h ALA 15 N 0.90 0.77 -0.89 3.86 0.00 -1.43 -2.13 119.26 120.34 1gm0 h ALA 15 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1gm0 h ALA 15 Cb 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1gm0 h ALA 15 CO -0.00 0.20 0.54 -0.07 0.00 0.00 0.00 179.25 179.91 1gm0 h LEU 16 N 0.82 1.07 -2.45 0.00 3.38 -0.49 -0.09 115.31 117.55 1gm0 h LEU 16 Ca 0.22 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1gm0 h LEU 16 Cb -0.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.39 1gm0 h LEU 16 CO -0.05 0.82 0.00 -0.78 0.09 0.00 0.00 178.44 178.52 1gm0 h ASP 17 N 1.22 0.00 0.12 -0.43 1.82 -0.59 -0.75 116.42 117.81 1gm0 h ASP 17 Ca 0.32 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.60 1gm0 h ASP 17 Cb -0.05 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 39.90 1gm0 h ASP 17 CO -0.06 0.00 -2.22 -0.62 -1.61 0.00 0.00 179.24 174.73 1gm0 n GLU 18 N -3.00 0.68 0.13 0.28 1.02 -0.84 -4.29 120.64 114.61 1gm0 n GLU 18 Ca -0.02 0.11 -0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1gm0 n GLU 18 Cb 0.13 -1.60 0.28 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.14 0.00 -0.01 0.00 -0.00 -1.41 -2.98 116.57 112.31 1gm0 h LYS 20 Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 60.65 60.49 1gm0 h LYS 20 Cb 0.72 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.94 1gm0 h LYS 20 CO 0.05 0.00 -0.81 0.87 -0.00 0.00 0.00 179.45 179.57 1gm0 h LYS 21 N 0.00 0.14 0.48 0.07 1.57 -1.45 -0.75 116.57 116.63 1gm0 h LYS 21 Ca 0.00 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1gm0 h LYS 21 Cb 0.80 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1gm0 h LYS 21 CO 0.00 0.87 -0.48 0.93 -0.57 0.00 0.00 179.45 180.19 1gm0 h GLU 22 N 0.08 -0.93 -0.52 3.15 4.39 -1.34 -3.23 114.58 116.17 1gm0 h GLU 22 Ca -0.03 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1gm0 h GLU 22 Cb 1.41 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 1gm0 h GLU 22 CO 0.12 -0.62 0.00 -1.33 -1.16 0.00 0.00 179.01 176.01 1gm0 n MET 23 N -5.55 3.14 -3.17 2.33 0.00 -1.24 -4.94 117.12 107.68 1gm0 n MET 23 Ca -0.12 -2.56 -0.19 0.00 0.00 0.00 0.00 57.70 54.83 1gm0 n MET 23 Cb 0.45 -1.61 -0.01 0.00 0.00 0.00 0.00 33.22 32.05 1gm0 n MET 23 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1gm0 n THR 24 N 0.84 -0.62 -0.39 2.03 5.66 -0.61 -4.94 114.28 116.24 1gm0 n THR 24 Ca 0.20 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.91 1gm0 n THR 24 Cb 0.68 -1.31 0.27 0.00 -1.55 0.00 0.00 70.33 68.42 1gm0 n THR 24 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1gm0 n LEU 25 N -3.36 -1.48 -4.89 1.09 4.77 -0.39 -4.98 117.00 107.75 1gm0 n LEU 25 Ca -0.02 -0.42 -0.29 0.00 -0.03 0.00 0.00 56.01 55.25 1gm0 n LEU 25 Cb 0.53 -1.16 0.05 0.00 -2.33 0.00 0.00 43.42 40.52 1gm0 n LEU 25 CO 0.40 -3.76 0.70 0.42 -1.33 0.00 0.00 177.39 173.81 1gm0 s THR 26 N -2.29 3.37 0.11 -5.08 -4.23 -1.26 -4.84 115.64 101.41 1gm0 s THR 26 Ca 0.68 0.30 0.13 0.00 -1.18 0.00 0.00 61.69 61.61 1gm0 s THR 26 Cb -0.21 -3.42 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 1gm0 s THR 26 CO 0.63 -0.52 1.51 -0.78 -0.54 0.00 0.00 174.62 174.92 1gm0 h ASP 27 N -0.56 0.00 0.00 3.99 3.58 -1.99 -3.32 116.42 118.12 1gm0 h ASP 27 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1gm0 h ASP 27 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1gm0 h ASP 27 CO 0.63 0.64 0.00 0.00 -2.88 0.00 0.00 179.24 177.63 1gm0 n ALA 28 N -2.32 2.09 0.49 -0.78 0.00 -1.26 -3.67 120.51 115.05 1gm0 n ALA 28 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1gm0 n ALA 28 Cb 0.71 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 1gm0 n ALA 28 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1gm0 n ILE 29 N 0.64 0.00 0.11 0.00 -6.64 -1.25 -4.01 119.36 108.21 1gm0 n ILE 29 Ca 0.00 -0.26 -0.05 0.00 -1.77 0.00 0.00 62.75 60.66 1gm0 n ILE 29 Cb 0.29 1.01 -0.03 0.00 -1.44 0.00 0.00 39.64 39.47 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 0.07 -0.29 -0.28 7.28 -0.73 -1.89 -3.07 115.58 116.66 1gm0 h ASN 30 Ca 0.00 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.15 1gm0 h ASN 30 Cb 0.25 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 1gm0 h ASN 30 CO 0.00 0.04 0.06 -0.33 -0.37 0.00 0.00 177.43 176.84 1gm0 h GLU 31 N -0.84 0.46 -0.45 6.67 4.39 -1.87 -1.46 114.58 121.48 1gm0 h GLU 31 Ca -0.04 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.58 1gm0 h GLU 31 Cb 0.26 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1gm0 h GLU 31 CO 0.06 0.55 0.24 0.22 -1.16 0.00 0.00 179.01 178.92 1gm0 h ASP 32 N 0.29 0.37 0.05 1.42 1.82 -1.75 0.26 116.42 118.88 1gm0 h ASP 32 Ca 0.09 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1gm0 h ASP 32 Cb 0.30 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1gm0 h ASP 32 CO 0.00 0.26 -0.02 0.15 -1.61 0.00 0.00 179.24 178.02 1gm0 h PHE 33 N 0.48 -0.06 0.00 0.28 3.04 -1.41 -1.61 116.94 117.67 1gm0 h PHE 33 Ca 0.19 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 1gm0 h PHE 33 Cb 0.07 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1gm0 h PHE 33 CO -0.09 0.10 -0.18 1.88 -2.02 0.00 0.00 178.31 178.00 1gm0 h TYR 34 N -0.21 0.00 0.00 0.41 -1.99 -0.91 -1.90 116.97 112.37 1gm0 h TYR 34 Ca -0.01 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.60 1gm0 h TYR 34 Cb 0.18 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1gm0 h TYR 34 CO -0.03 0.18 -0.58 -0.91 -0.00 0.00 0.00 178.16 176.83 1gm0 h ASN 35 N 0.00 0.00 -0.78 3.88 2.35 -0.06 -3.18 115.58 117.79 1gm0 h ASN 35 Ca -0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1gm0 h ASN 35 Cb 0.37 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 1gm0 h ASN 35 CO 0.02 0.58 0.51 0.15 -1.65 0.00 0.00 177.43 177.04 1gm0 h PHE 36 N 0.00 0.78 -0.30 1.19 3.04 -0.45 -2.35 116.94 118.85 1gm0 h PHE 36 Ca -0.01 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.86 1gm0 h PHE 36 Cb 1.05 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1gm0 h PHE 36 CO 0.00 0.38 -0.25 -1.49 -2.02 0.00 0.00 178.31 174.93 1gm0 h TRP 37 N 0.74 0.66 -2.40 0.41 6.55 -1.66 -3.44 115.95 116.81 1gm0 h TRP 37 Ca 0.35 -0.15 -0.56 0.00 0.95 0.00 0.00 58.89 59.49 1gm0 h TRP 37 Cb 0.39 -0.16 0.06 0.00 -0.86 0.00 0.00 29.16 28.59 1gm0 h TRP 37 CO -0.00 0.78 0.88 1.63 -1.05 0.00 0.00 178.44 180.69 1gm0 n LYS 38 N -4.11 2.38 -1.52 0.49 5.02 -0.89 -4.92 118.16 114.61 1gm0 n LYS 38 Ca -0.00 0.86 -0.35 0.00 -2.02 0.00 0.00 58.31 56.80 1gm0 n LYS 38 Cb 0.42 -2.66 0.09 0.00 -0.02 0.00 0.00 35.03 32.85 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 1.10 2.25 0.00 1.97 8.01 -1.26 -3.09 118.70 127.68 1gm0 s GLU 39 Ca 0.78 1.86 0.00 0.00 0.01 0.00 0.00 54.97 57.62 1gm0 s GLU 39 Cb -0.61 -1.83 0.00 0.00 -4.31 0.00 0.00 34.13 27.37 1gm0 s GLU 39 CO 0.36 -1.78 0.00 0.41 0.01 0.00 0.00 175.26 174.26 1gm0 n GLY 40 N 0.58 1.60 3.50 -1.39 0.00 -1.26 -4.98 105.19 103.23 1gm0 n GLY 40 Ca 0.14 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 1gm0 n GLY 40 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gm0 n TYR 41 N 0.00 1.37 -1.53 1.61 4.01 -1.18 -4.85 117.16 116.58 1gm0 n TYR 41 Ca 0.00 0.22 -0.33 0.00 -0.16 0.00 0.00 57.90 57.64 1gm0 n TYR 41 Cb 0.00 -2.55 -0.05 0.00 -0.31 0.00 0.00 39.34 36.43 1gm0 n TYR 41 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1gm0 n GLU 42 N 8.54 3.49 -2.22 -0.72 2.13 -1.26 -4.83 120.64 125.77 1gm0 n GLU 42 Ca 0.44 -2.48 -0.35 0.00 0.66 0.00 0.00 57.16 55.44 1gm0 n GLU 42 Cb 0.30 -2.48 -0.04 0.00 0.27 0.00 0.00 31.44 29.49 1gm0 n GLU 42 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1gm0 s ILE 43 N -0.06 3.55 -0.88 6.31 -1.09 -1.26 -4.79 121.20 122.99 1gm0 s ILE 43 Ca 0.62 -0.18 0.09 0.00 -2.23 0.00 0.00 60.65 58.95 1gm0 s ILE 43 Cb 0.24 -4.32 0.17 0.00 -1.58 0.00 0.00 42.46 36.98 1gm0 s ILE 43 CO -0.09 -1.26 1.03 0.29 -1.23 0.00 0.00 174.94 173.68 1gm0 n LYS 44 N 9.03 1.83 -0.70 2.79 5.02 -1.26 -4.99 118.16 129.88 1gm0 n LYS 44 Ca 0.28 -1.57 -0.29 0.00 -2.02 0.00 0.00 58.31 54.71 1gm0 n LYS 44 Cb 0.49 -1.19 0.25 0.00 -0.02 0.00 0.00 35.03 34.56 1gm0 n LYS 44 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1gm0 s ASN 45 N -0.89 0.65 -0.08 4.39 2.47 -1.26 -5.01 114.94 115.21 1gm0 s ASN 45 Ca 0.15 1.12 -0.10 0.00 0.42 0.00 0.00 52.86 54.44 1gm0 s ASN 45 Cb 0.09 -1.69 -0.07 0.00 -1.45 0.00 0.00 41.25 38.13 1gm0 s ASN 45 CO 0.12 -4.35 0.38 0.03 -3.72 0.00 0.00 177.10 169.56 1gm0 h ARG 46 N -2.72 -0.18 -0.16 0.43 3.08 -1.96 -3.40 114.38 109.46 1gm0 h ARG 46 Ca -0.53 0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.58 1gm0 h ARG 46 Cb 1.33 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 1gm0 h ARG 46 CO 0.44 0.03 0.19 0.93 -1.07 0.00 0.00 179.97 180.48 1gm0 h GLU 47 N -1.02 0.00 -0.14 0.04 3.07 -1.95 0.27 114.58 114.85 1gm0 h GLU 47 Ca -0.02 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1gm0 h GLU 47 Cb 0.29 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 1gm0 h GLU 47 CO 0.03 0.00 -0.12 1.15 -1.40 0.00 0.00 179.01 178.67 1gm0 h THR 48 N 0.00 0.67 -0.51 1.13 2.02 -1.95 -0.17 112.91 114.09 1gm0 h THR 48 Ca 0.08 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1gm0 h THR 48 Cb 0.46 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1gm0 h THR 48 CO -0.00 0.00 0.17 1.23 0.37 0.00 0.00 175.52 177.29 1gm0 h GLY 49 N -0.13 0.85 0.50 2.16 0.00 -0.65 -0.37 103.07 105.42 1gm0 h GLY 49 Ca 0.09 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 46.98 1gm0 h GLY 49 CO -0.22 0.46 0.01 0.00 0.00 0.00 0.00 176.54 176.80 1gm0 h ALA 51 N 1.28 -0.80 -0.49 0.00 0.00 -0.72 -1.42 119.26 117.10 1gm0 h ALA 51 Ca 0.16 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1gm0 h ALA 51 Cb 0.21 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1gm0 h ALA 51 CO -0.26 -0.98 -0.15 0.82 0.00 0.00 0.00 179.25 178.68 1gm0 h ILE 52 N -0.78 0.46 -0.22 0.00 2.04 -0.62 0.31 117.51 118.70 1gm0 h ILE 52 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1gm0 h ILE 52 Cb 0.68 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1gm0 h ILE 52 CO -0.01 0.00 -0.02 -0.03 0.00 0.00 0.00 178.15 178.09 1gm0 h MET 53 N -0.03 0.33 0.07 2.37 4.05 -0.60 -0.90 114.93 120.23 1gm0 h MET 53 Ca 0.24 -0.06 -0.25 0.00 -0.28 0.00 0.00 59.70 59.35 1gm0 h MET 53 Cb 0.39 -0.05 0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1gm0 h MET 53 CO -0.53 0.37 -1.04 0.00 0.23 0.00 0.00 176.91 175.95 1gm0 h LEU 55 N 0.17 0.00 0.00 0.00 3.38 0.65 -1.85 115.31 117.66 1gm0 h LEU 55 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1gm0 h LEU 55 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1gm0 h LEU 55 CO 0.20 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 177.22 1gm0 n SER 56 N -3.39 0.00 -0.50 -0.43 3.41 -0.44 -0.83 113.62 111.43 1gm0 n SER 56 Ca -0.02 0.34 0.08 0.00 -0.26 0.00 0.00 58.87 59.01 1gm0 n SER 56 Cb 0.14 -0.41 0.19 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.41 1.97 -0.85 6.66 5.66 -0.70 -4.54 114.28 121.08 1gm0 n THR 57 Ca 0.04 -1.92 0.07 0.00 -3.05 0.00 0.00 64.05 59.19 1gm0 n THR 57 Cb 0.11 -0.15 0.10 0.00 -1.55 0.00 0.00 70.33 68.84 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 -0.80 1.63 -0.28 1.09 4.76 -0.01 -4.77 118.16 119.77 1gm0 n LYS 58 Ca 0.17 -2.23 0.11 0.00 -2.87 0.00 0.00 58.31 53.50 1gm0 n LYS 58 Cb 0.72 -1.33 0.35 0.00 -1.84 0.00 0.00 35.03 32.94 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 0.70 -1.12 -0.35 3.38 -1.80 0.99 115.31 117.12 1gm0 h LEU 59 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1gm0 h LEU 59 Cb 0.89 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1gm0 h LEU 59 CO 0.00 0.36 0.00 -0.55 0.09 0.00 0.00 178.44 178.34 1gm0 h ASN 60 N 0.75 0.00 0.14 -0.43 7.08 -1.81 0.71 115.58 122.02 1gm0 h ASN 60 Ca 0.45 0.00 -0.36 0.00 -3.08 0.00 0.00 56.30 53.31 1gm0 h ASN 60 Cb 0.67 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.89 1gm0 h ASN 60 CO -0.22 0.00 -2.01 0.23 -2.08 0.00 0.00 177.43 173.36 1gm0 n MET 61 N -2.52 0.75 -0.15 4.14 2.81 0.27 -3.93 117.12 118.48 1gm0 n MET 61 Ca 0.01 0.26 -0.09 0.00 -1.81 0.00 0.00 57.70 56.06 1gm0 n MET 61 Cb 0.22 -1.70 -0.00 0.00 -0.71 0.00 0.00 33.22 31.02 1gm0 n MET 61 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1gm0 h LEU 62 N 0.06 0.67 -7.50 4.03 3.38 -1.08 -3.42 115.31 111.46 1gm0 h LEU 62 Ca -0.42 -0.24 -0.64 0.00 0.09 0.00 0.00 57.88 56.67 1gm0 h LEU 62 Cb 2.03 -0.18 -0.40 0.00 0.09 0.00 0.00 40.66 42.20 1gm0 h LEU 62 CO 0.08 0.74 -0.72 -0.62 0.09 0.00 0.00 178.44 178.01 1gm0 s ASP 63 N -6.08 4.50 0.32 -0.43 -1.08 0.22 -2.59 116.67 111.53 1gm0 s ASP 63 Ca -0.13 -2.10 0.15 0.00 -0.52 0.00 0.00 52.55 49.95 1gm0 s ASP 63 Cb 0.11 -1.41 0.50 0.00 -1.46 0.00 0.00 42.92 40.65 1gm0 s ASP 63 CO 0.78 -0.37 1.66 1.55 0.52 0.00 0.00 175.17 179.30 1gm0 h PRO 64 N 7.62 0.00 0.00 4.34 0.13 -1.80 -2.74 132.00 139.55 1gm0 h PRO 64 Ca -0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1gm0 h PRO 64 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1gm0 h PRO 64 CO 0.52 0.50 -0.01 0.93 -0.23 0.00 0.00 178.00 179.70 1gm0 h GLU 65 N 0.00 0.00 0.00 0.86 5.08 -1.94 -3.47 114.58 115.11 1gm0 h GLU 65 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gm0 h GLU 65 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1gm0 h GLU 65 CO 0.06 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 1gm0 n GLY 66 N -1.34 0.47 0.25 -3.84 0.00 -1.03 -4.99 105.19 94.72 1gm0 n GLY 66 Ca -0.03 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 0.94 -1.71 1.61 2.35 -1.91 -3.40 115.58 113.46 1gm0 h ASN 67 Ca 0.00 -0.45 -0.54 0.00 -0.55 0.00 0.00 56.30 54.76 1gm0 h ASN 67 Cb 0.36 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 38.39 1gm0 h ASN 67 CO 0.00 1.19 1.23 -0.22 -1.65 0.00 0.00 177.43 177.98 1gm0 s LEU 68 N -8.96 3.30 0.40 1.61 2.96 -1.26 -4.59 118.68 112.14 1gm0 s LEU 68 Ca -0.11 -0.76 -0.05 0.00 -0.22 0.00 0.00 54.13 52.98 1gm0 s LEU 68 Cb 0.11 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1gm0 s LEU 68 CO 0.86 -1.85 0.69 -1.00 -1.32 0.00 0.00 176.35 173.74 1gm0 s HIS 69 N 6.18 3.51 -0.18 5.38 3.76 -0.89 -4.60 115.29 128.46 1gm0 s HIS 69 Ca 0.45 0.76 -0.29 0.00 -0.15 0.00 0.00 55.06 55.83 1gm0 s HIS 69 Cb -0.05 -2.23 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1gm0 s HIS 69 CO 0.05 -0.08 1.43 -1.58 -0.85 0.00 0.00 174.74 173.71 1gm0 s HIS 70 N -2.45 2.47 0.00 1.40 2.46 -1.26 -2.35 115.29 115.56 1gm0 s HIS 70 Ca 0.46 0.71 0.00 0.00 0.47 0.00 0.00 55.06 56.70 1gm0 s HIS 70 Cb -0.10 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.58 1gm0 s HIS 70 CO 0.37 -2.44 0.00 0.41 -2.47 0.00 0.00 174.74 170.62 1gm0 n GLY 71 N 4.07 0.77 2.93 1.59 0.00 0.46 -5.00 105.19 110.01 1gm0 n GLY 71 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.70 0.20 0.00 1.61 2.47 -0.99 -5.01 114.94 110.52 1gm0 s ASN 72 Ca 0.00 -0.30 0.00 0.00 0.42 0.00 0.00 52.86 52.98 1gm0 s ASN 72 Cb 0.00 1.19 0.00 0.00 -1.45 0.00 0.00 41.25 40.99 1gm0 s ASN 72 CO 0.00 -0.35 0.50 0.00 -3.72 0.00 0.00 177.10 173.53 1gm0 n ALA 73 N 5.36 2.26 0.07 1.71 0.00 -1.26 -2.09 120.51 126.57 1gm0 n ALA 73 Ca 0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 53.44 52.88 1gm0 n ALA 73 Cb 0.50 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.03 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 0.29 -0.16 0.00 2.86 -1.95 0.85 114.93 116.83 1gm0 h MET 74 Ca 0.00 -0.21 -0.20 0.00 -2.06 0.00 0.00 59.70 57.23 1gm0 h MET 74 Cb 0.08 0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.79 1gm0 h MET 74 CO 0.00 0.84 -0.69 0.93 1.06 0.00 0.00 176.91 179.06 1gm0 h GLU 75 N 0.20 0.74 0.15 1.72 4.39 -1.91 -0.58 114.58 119.30 1gm0 h GLU 75 Ca -0.01 -0.59 0.01 0.00 0.34 0.00 0.00 59.36 59.11 1gm0 h GLU 75 Cb 1.19 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 1gm0 h GLU 75 CO 0.11 1.20 -0.44 0.35 -1.16 0.00 0.00 179.01 179.06 1gm0 h PHE 76 N 0.45 -1.27 -0.96 4.33 3.57 -1.77 -3.08 116.94 118.20 1gm0 h PHE 76 Ca -0.04 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.64 1gm0 h PHE 76 Cb 1.32 0.54 -0.08 0.00 2.79 0.00 0.00 35.95 40.51 1gm0 h PHE 76 CO 0.09 -0.51 0.61 0.00 -2.23 0.00 0.00 178.31 176.27 1gm0 h ALA 77 N -0.76 1.72 -0.90 2.41 0.00 -0.67 0.10 119.26 121.16 1gm0 h ALA 77 Ca -0.01 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1gm0 h ALA 77 Cb 0.65 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1gm0 h ALA 77 CO -0.21 -0.00 0.51 0.87 0.00 0.00 0.00 179.25 180.41 1gm0 h LYS 78 N 0.79 0.72 -0.01 0.00 1.57 -1.01 -0.92 116.57 117.71 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 0.73 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1gm0 h LYS 78 CO -0.27 0.48 0.04 0.87 -0.57 0.00 0.00 179.45 180.00 1gm0 h LYS 79 N 0.75 0.00 -0.07 3.15 1.57 -0.74 -1.03 116.57 120.19 1gm0 h LYS 79 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1gm0 h LYS 79 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1gm0 h LYS 79 CO -0.33 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.27 1gm0 n HIS 80 N -3.26 0.07 0.00 -1.35 8.25 -0.42 -4.97 115.22 113.54 1gm0 n HIS 80 Ca -0.03 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1gm0 n HIS 80 Cb 0.12 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 0.99 1.94 3.74 -1.41 0.00 -0.39 -4.86 105.19 105.21 1gm0 n GLY 81 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.80 3.53 0.94 4.61 0.00 -0.79 -4.90 121.76 123.34 1gm0 s ALA 82 Ca 0.00 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1gm0 s ALA 82 Cb 0.00 -3.48 0.19 0.00 0.00 0.00 0.00 23.12 19.82 1gm0 s ALA 82 CO 0.00 -0.56 1.13 -0.40 0.00 0.00 0.00 175.76 175.93 1gm0 n ASP 83 N 2.28 0.33 -0.05 0.00 5.75 -1.26 -3.43 116.55 120.18 1gm0 n ASP 83 Ca 0.05 -1.56 -0.12 0.00 -0.01 0.00 0.00 54.79 53.15 1gm0 n ASP 83 Cb 0.42 -0.84 -0.06 0.00 -1.03 0.00 0.00 41.12 39.61 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1gm0 h GLU 84 N 0.00 0.27 -0.76 0.11 5.08 -1.97 -2.06 114.58 115.25 1gm0 h GLU 84 Ca -0.37 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1gm0 h GLU 84 Cb 1.07 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 1gm0 h GLU 84 CO 0.28 0.53 0.49 1.15 -1.00 0.00 0.00 179.01 180.46 1gm0 h THR 85 N -0.02 1.20 -0.29 1.13 2.02 -1.97 0.27 112.91 115.26 1gm0 h THR 85 Ca 0.04 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1gm0 h THR 85 Cb 0.43 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1gm0 h THR 85 CO 0.01 0.20 0.18 0.24 0.37 0.00 0.00 175.52 176.52 1gm0 h MET 86 N 1.04 0.38 0.12 6.66 2.86 -1.90 0.29 114.93 124.37 1gm0 h MET 86 Ca 0.28 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1gm0 h MET 86 Cb -0.09 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 1gm0 h MET 86 CO -0.06 0.28 -0.07 0.00 1.06 0.00 0.00 176.91 178.13 1gm0 h ALA 87 N 1.08 -0.17 -0.41 6.32 0.00 -0.66 -2.93 119.26 122.49 1gm0 h ALA 87 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1gm0 h ALA 87 Cb -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1gm0 h ALA 87 CO -0.02 -0.60 0.27 0.37 0.00 0.00 0.00 179.25 179.27 1gm0 h GLN 88 N -0.18 0.49 0.17 0.00 5.75 -0.10 0.54 115.11 121.79 1gm0 h GLN 88 Ca -0.01 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1gm0 h GLN 88 Cb 0.15 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 1gm0 h GLN 88 CO 0.01 0.32 -0.41 1.96 -2.65 0.00 0.00 178.83 178.06 1gm0 h GLN 89 N 0.50 -0.66 -0.64 1.69 4.20 -0.36 -0.55 115.11 119.30 1gm0 h GLN 89 Ca 0.16 0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 1gm0 h GLN 89 Cb 0.02 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1gm0 h GLN 89 CO -0.04 -0.44 0.05 -0.07 -0.67 0.00 0.00 178.83 177.67 1gm0 h LEU 90 N -0.68 1.06 -0.47 1.46 3.38 -0.79 -1.55 115.31 117.72 1gm0 h LEU 90 Ca 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1gm0 h LEU 90 Cb 0.69 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1gm0 h LEU 90 CO -0.21 1.08 0.29 0.40 0.09 0.00 0.00 178.44 180.10 1gm0 h ILE 91 N 1.01 1.14 -0.86 1.22 2.04 -1.01 0.11 117.51 121.17 1gm0 h ILE 91 Ca 0.19 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1gm0 h ILE 91 Cb 0.50 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1gm0 h ILE 91 CO 0.02 0.14 0.52 -0.78 0.00 0.00 0.00 178.15 178.06 1gm0 h ASP 92 N 0.63 1.02 -0.52 1.72 3.58 -0.76 -2.13 116.42 119.97 1gm0 h ASP 92 Ca 0.17 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 1gm0 h ASP 92 Cb -0.02 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 1gm0 h ASP 92 CO -0.03 0.78 0.15 0.40 -2.88 0.00 0.00 179.24 177.66 1gm0 h ILE 93 N 1.17 1.24 0.21 2.25 2.04 -0.80 0.18 117.51 123.80 1gm0 h ILE 93 Ca 0.31 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1gm0 h ILE 93 Cb -0.06 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1gm0 h ILE 93 CO -0.06 0.29 -0.28 0.58 0.00 0.00 0.00 178.15 178.69 1gm0 h VAL 94 N 0.72 0.40 0.00 1.67 2.07 -0.34 0.31 116.25 121.09 1gm0 h VAL 94 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1gm0 h VAL 94 Cb 0.29 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 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 -0.55 0.00 0.00 1.57 3.86 -1.38 -0.90 115.15 117.75 1gm0 h HIS 95 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1gm0 h HIS 95 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1gm0 h HIS 95 CO -0.21 0.00 -0.29 0.78 0.86 0.00 0.00 177.93 179.07 1gm0 h GLY 96 N 2.33 0.00 0.67 2.45 0.00 -0.08 -3.37 103.07 105.07 1gm0 h GLY 96 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1gm0 h GLY 96 CO 0.00 0.00 -1.94 0.00 0.00 0.00 0.00 176.54 174.60 1gm0 h GLU 98 N 0.02 0.28 -0.14 0.00 5.08 -1.61 -1.39 114.58 116.81 1gm0 h GLU 98 Ca -0.38 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1gm0 h GLU 98 Cb 2.05 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 1gm0 h GLU 98 CO 0.06 0.18 -0.04 0.87 -1.00 0.00 0.00 179.01 179.08 1gm0 h LYS 99 N 0.29 0.28 -0.34 2.33 1.79 -1.73 -3.14 116.57 116.06 1gm0 h LYS 99 Ca 0.61 -0.11 -0.17 0.00 -2.18 0.00 0.00 60.65 58.81 1gm0 h LYS 99 Cb 1.76 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.40 1gm0 h LYS 99 CO -0.26 0.58 -0.44 0.66 -1.08 0.00 0.00 179.45 178.91 1gm0 h SER 100 N -0.03 0.96 -3.23 0.86 4.64 -1.52 -3.42 113.55 111.81 1gm0 h SER 100 Ca 0.03 -0.49 -0.57 0.00 -0.47 0.00 0.00 61.79 60.29 1gm0 h SER 100 Cb 0.48 -0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 62.21 1gm0 h SER 100 CO 0.02 1.27 0.83 -0.89 -0.87 0.00 0.00 176.83 177.19 1gm0 s THR 101 N -4.28 4.15 0.25 2.95 2.01 -0.58 -4.97 115.64 115.18 1gm0 s THR 101 Ca -0.11 0.72 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 1gm0 s THR 101 Cb 0.10 -4.65 -0.10 0.00 0.01 0.00 0.00 72.50 67.86 1gm0 s THR 101 CO 0.88 -1.24 1.37 -2.16 -0.69 0.00 0.00 174.62 172.78 1gm0 s PRO 102 N 4.58 4.33 -0.72 4.92 0.04 -1.26 -4.78 135.00 142.11 1gm0 s PRO 102 Ca 0.39 2.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.34 1gm0 s PRO 102 Cb -0.09 -3.13 -0.15 0.00 0.04 0.00 0.00 34.50 31.17 1gm0 s PRO 102 CO 0.24 -0.32 2.53 0.00 0.04 0.00 0.00 177.00 179.49 1gm0 n ALA 103 N 2.16 0.56 -1.82 8.56 0.00 -1.26 -4.91 120.51 123.80 1gm0 n ALA 103 Ca 0.05 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 1gm0 n ALA 103 Cb 0.41 -2.70 -0.01 0.00 0.00 0.00 0.00 19.45 17.16 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 10.24 6.33 0.40 0.00 3.84 -1.26 -4.97 114.94 129.52 1gm0 s ASN 104 Ca 1.17 1.53 0.09 0.00 0.21 0.00 0.00 52.86 55.87 1gm0 s ASN 104 Cb -0.76 -2.49 0.88 0.00 -0.55 0.00 0.00 41.25 38.32 1gm0 s ASN 104 CO 0.39 -0.79 1.97 -0.78 -2.79 0.00 0.00 177.10 175.10 1gm0 h ASP 105 N 0.30 0.52 -3.53 -4.21 3.58 -2.03 -3.41 116.42 107.65 1gm0 h ASP 105 Ca -0.46 0.01 -0.71 0.00 0.42 0.00 0.00 57.03 56.29 1gm0 h ASP 105 Cb 1.19 -0.10 -0.28 0.00 1.72 0.00 0.00 39.33 41.85 1gm0 h ASP 105 CO 0.61 0.33 -0.52 -0.62 -2.88 0.00 0.00 179.24 176.16 1gm0 s ASP 106 N -6.24 5.52 0.48 2.28 -1.08 -1.26 -4.97 116.67 111.40 1gm0 s ASP 106 Ca -0.09 -1.41 0.18 0.00 -0.52 0.00 0.00 52.55 50.71 1gm0 s ASP 106 Cb 0.19 -1.94 1.19 0.00 -1.46 0.00 0.00 42.92 40.90 1gm0 s ASP 106 CO 0.76 -0.47 2.06 0.50 0.52 0.00 0.00 175.17 178.54 1gm0 h LYS 107 N 8.33 0.00 0.53 4.34 1.63 -1.99 -0.75 116.57 128.65 1gm0 h LYS 107 Ca -0.22 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.55 1gm0 h LYS 107 Cb 1.08 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1gm0 h LYS 107 CO 0.70 0.12 -0.34 0.00 -3.45 0.00 0.00 179.45 176.49 1gm0 h ILE 109 N -0.81 1.13 0.39 0.00 2.04 -1.70 -1.08 117.51 117.47 1gm0 h ILE 109 Ca -0.07 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1gm0 h ILE 109 Cb 0.65 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1gm0 h ILE 109 CO 0.06 0.22 -0.31 -0.25 0.00 0.00 0.00 178.15 177.87 1gm0 h TRP 110 N 1.19 -0.83 -1.00 1.37 7.01 -1.14 -2.12 115.95 120.43 1gm0 h TRP 110 Ca 0.40 0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.55 1gm0 h TRP 110 Cb 0.09 0.31 -0.09 0.00 -2.10 0.00 0.00 29.16 27.37 1gm0 h TRP 110 CO -0.00 -0.46 0.62 1.15 -2.79 0.00 0.00 178.44 176.96 1gm0 h THR 111 N -0.70 0.86 -0.27 2.65 2.02 0.32 0.16 112.91 117.94 1gm0 h THR 111 Ca -0.03 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 1gm0 h THR 111 Cb 0.61 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1gm0 h THR 111 CO -0.01 0.17 -0.06 0.25 0.37 0.00 0.00 175.52 176.23 1gm0 h LEU 112 N 0.91 0.53 -0.49 2.58 7.12 -1.22 -1.20 115.31 123.54 1gm0 h LEU 112 Ca 0.52 -0.36 0.09 0.00 0.13 0.00 0.00 57.88 58.26 1gm0 h LEU 112 Cb 0.62 -0.14 -0.08 0.00 -0.53 0.00 0.00 40.66 40.52 1gm0 h LEU 112 CO -0.29 0.77 -0.02 1.23 -0.13 0.00 0.00 178.44 179.99 1gm0 h GLY 113 N 0.28 0.47 0.73 3.75 0.00 -0.29 0.31 103.07 108.32 1gm0 h GLY 113 Ca 0.07 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.52 1gm0 h GLY 113 CO 0.03 -0.15 0.12 -2.08 0.00 0.00 0.00 176.54 174.46 1gm0 h VAL 114 N 0.09 0.92 -0.94 4.60 2.07 -0.57 -0.15 116.25 122.26 1gm0 h VAL 114 Ca 0.24 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1gm0 h VAL 114 Cb 0.37 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1gm0 h VAL 114 CO -0.43 0.05 0.58 0.00 0.02 0.00 0.00 177.57 177.79 1gm0 h ALA 115 N 1.21 1.25 -0.51 1.67 0.00 -0.72 0.44 119.26 122.61 1gm0 h ALA 115 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gm0 h ALA 115 Cb 0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1gm0 h ALA 115 CO -0.15 0.65 0.21 1.15 0.00 0.00 0.00 179.25 181.12 1gm0 h THR 116 N 1.29 1.21 -0.19 0.00 2.02 -0.22 -1.95 112.91 115.07 1gm0 h THR 116 Ca 0.34 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1gm0 h THR 116 Cb -0.07 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1gm0 h THR 116 CO -0.07 0.25 0.12 0.00 0.37 0.00 0.00 175.52 176.19 1gm0 h PHE 118 N 0.25 -1.23 -0.86 0.00 3.57 -0.53 -1.09 116.94 117.06 1gm0 h PHE 118 Ca 0.07 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.79 1gm0 h PHE 118 Cb -0.03 0.46 -0.14 0.00 2.79 0.00 0.00 35.95 39.03 1gm0 h PHE 118 CO -0.06 -0.63 0.15 -0.22 -2.23 0.00 0.00 178.31 175.31 1gm0 h LYS 119 N -1.00 0.15 -0.66 1.11 3.64 -1.44 0.64 116.57 119.01 1gm0 h LYS 119 Ca -0.08 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1gm0 h LYS 119 Cb 0.83 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 1gm0 h LYS 119 CO 0.02 0.10 0.25 0.00 -2.27 0.00 0.00 179.45 177.55 1gm0 h ALA 120 N 1.79 0.86 -0.16 5.00 0.00 -1.06 -2.26 119.26 123.43 1gm0 h ALA 120 Ca 0.52 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 1gm0 h ALA 120 Cb 1.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1gm0 h ALA 120 CO -0.69 0.50 -0.29 0.93 0.00 0.00 0.00 179.25 179.70 1gm0 h GLU 121 N 0.95 0.31 -0.59 0.00 4.39 0.33 -1.04 114.58 118.92 1gm0 h GLU 121 Ca 0.22 -0.12 0.11 0.00 0.34 0.00 0.00 59.36 59.92 1gm0 h GLU 121 Cb 0.23 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1gm0 h GLU 121 CO -0.01 0.58 0.40 0.82 -1.16 0.00 0.00 179.01 179.63 1gm0 h ILE 122 N 0.27 0.85 -0.01 3.13 2.04 -0.65 0.14 117.51 123.29 1gm0 h ILE 122 Ca 0.04 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1gm0 h ILE 122 Cb 0.66 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1gm0 h ILE 122 CO 0.05 0.06 0.00 1.57 0.00 0.00 0.00 178.15 179.83 1gm0 n HIS 123 N -4.46 0.01 -0.02 1.37 -0.00 -0.42 -2.05 115.22 109.64 1gm0 n HIS 123 Ca 0.10 -0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.34 1gm0 n HIS 123 Cb 0.43 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.15 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 -0.78 0.68 -1.55 1.57 5.02 0.37 -4.99 118.16 118.48 1gm0 n LYS 124 Ca 0.16 -0.15 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 1gm0 n LYS 124 Cb 0.08 -1.47 0.07 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 -4.57 3.29 0.02 -0.35 1.43 -0.46 -4.96 118.68 113.08 1gm0 s LEU 125 Ca -0.08 2.08 0.24 0.00 -1.03 0.00 0.00 54.13 55.34 1gm0 s LEU 125 Cb 0.11 -4.56 0.25 0.00 0.03 0.00 0.00 46.19 42.02 1gm0 s LEU 125 CO 0.81 -1.93 1.22 -3.20 0.23 0.00 0.00 176.35 173.48 1gm0 n ASN 126 N -2.75 0.64 -2.22 2.29 5.15 -1.26 -4.90 115.26 112.21 1gm0 n ASN 126 Ca 0.11 -0.36 -0.02 0.00 -0.60 0.00 0.00 54.58 53.71 1gm0 n ASN 126 Cb 0.52 0.51 0.00 0.00 -0.53 0.00 0.00 39.78 40.28 1gm0 n ASN 126 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1gm0 n TRP 127 N -1.64 -2.80 -3.49 1.20 4.27 -1.26 -5.14 117.44 108.58 1gm0 n TRP 127 Ca 0.04 -0.16 -0.13 0.00 -3.89 0.00 0.00 57.50 53.36 1gm0 n TRP 127 Cb 0.36 -0.04 -0.11 0.00 -1.36 0.00 0.00 31.31 30.17 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 -2.05 -0.74 0.65 -1.67 0.00 -1.26 -4.94 121.76 111.75 1gm0 s ALA 128 Ca 0.04 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 1gm0 s ALA 128 Cb -0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 1gm0 s ALA 128 CO 0.03 -1.07 1.23 -2.14 0.00 0.00 0.00 175.76 173.80 1gm0 s PRO 129 N 2.46 2.60 0.72 0.00 0.02 -1.26 -5.02 135.00 134.53 1gm0 s PRO 129 Ca 0.07 1.86 -0.16 0.00 0.02 0.00 0.00 61.00 62.79 1gm0 s PRO 129 Cb -0.15 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.52 1gm0 s PRO 129 CO -0.13 -1.50 1.17 0.43 -0.33 0.00 0.00 177.00 176.64 1gm0 n SER 130 N -2.04 1.29 -0.24 2.53 7.64 -1.26 -4.79 113.62 116.75 1gm0 n SER 130 Ca 0.14 0.71 -0.05 0.00 1.01 0.00 0.00 58.87 60.68 1gm0 n SER 130 Cb 0.49 -1.50 0.05 0.00 -1.01 0.00 0.00 64.21 62.25 1gm0 n SER 130 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1gm0 h MET 131 N -0.15 0.88 -0.36 1.43 2.86 -1.95 0.27 114.93 117.92 1gm0 h MET 131 Ca -0.48 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.18 1gm0 h MET 131 Cb 1.33 -0.20 -0.08 0.00 0.06 0.00 0.00 31.60 32.70 1gm0 h MET 131 CO 0.49 0.59 -0.20 -0.44 1.06 0.00 0.00 176.91 178.41 1gm0 h ASP 132 N 0.91 -0.67 0.86 1.22 3.32 -1.91 0.76 116.42 120.91 1gm0 h ASP 132 Ca 0.25 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.40 1gm0 h ASP 132 Cb -0.10 0.35 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1gm0 h ASP 132 CO -0.06 -0.23 -0.41 0.58 -1.72 0.00 0.00 179.24 177.40 1gm0 h VAL 133 N -0.14 0.01 -0.03 -1.35 2.07 -1.85 0.57 116.25 115.54 1gm0 h VAL 133 Ca 0.18 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1gm0 h VAL 133 Cb 0.42 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 1gm0 h VAL 133 CO -0.45 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 176.78 1gm0 h ALA 134 N -1.29 -0.52 -0.08 1.67 0.00 -0.50 0.13 119.26 118.67 1gm0 h ALA 134 Ca -0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1gm0 h ALA 134 Cb 0.88 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1gm0 h ALA 134 CO 0.19 -0.87 -0.51 0.28 0.00 0.00 0.00 179.25 178.35 1gm0 h VAL 135 N -0.49 1.35 0.47 0.00 2.07 -0.97 -3.11 116.25 115.57 1gm0 h VAL 135 Ca 0.06 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 1gm0 h VAL 135 Cb 0.59 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1gm0 h VAL 135 CO -0.31 0.52 -0.30 1.23 0.02 0.00 0.00 177.57 178.73 1gm0 h GLY 136 N 1.37 -0.79 0.82 2.17 0.00 0.48 -3.13 103.07 104.00 1gm0 h GLY 136 Ca 0.01 0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 1gm0 h GLY 136 CO 0.08 -0.29 -0.10 0.83 0.00 0.00 0.00 176.54 177.05 1gm0 h GLU 137 N -0.74 0.45 0.00 4.80 5.08 -0.82 -1.89 114.58 121.46 1gm0 h GLU 137 Ca -0.05 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1gm0 h GLU 137 Cb 0.61 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1gm0 h GLU 137 CO 0.04 0.73 -0.09 0.97 -1.00 0.00 0.00 179.01 179.66 1gm0 h ILE 138 N 0.16 0.75 0.02 3.13 2.10 -1.63 -0.24 117.51 121.81 1gm0 h ILE 138 Ca 0.05 -0.35 -0.25 0.00 1.08 0.00 0.00 64.86 65.39 1gm0 h ILE 138 Cb 0.59 1.21 0.01 0.00 -1.09 0.00 0.00 36.82 37.54 1gm0 h ILE 138 CO 0.03 0.09 -1.02 -0.07 -1.08 0.00 0.00 178.15 176.10 1gm0 h LEU 139 N 0.00 0.66 0.00 2.19 3.38 -1.43 -0.08 115.31 120.03 1gm0 h LEU 139 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1gm0 h LEU 139 Cb 0.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gm0 h LEU 139 CO 0.01 1.35 0.13 0.00 0.09 0.00 0.00 178.44 180.02 1gm0 n ALA 140 N -2.58 0.75 0.00 1.53 0.00 -0.12 -4.04 120.51 116.05 1gm0 n ALA 140 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 1gm0 n ALA 140 Cb 0.87 -0.73 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 1gm0 n ALA 140 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gm0 n GLU 141 N -1.34 0.00 0.00 0.00 1.02 -1.08 -0.40 120.64 118.84 1gm0 n GLU 141 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1gm0 n GLU 141 Cb 0.13 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.48 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59