#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 1.01 -0.32 4.33 -0.21 -1.26 -5.09 119.66 118.12 1gm0 s GLN 2 Ca 0.00 -1.32 0.18 0.00 0.02 0.00 0.00 55.36 54.23 1gm0 s GLN 2 Cb 0.00 -0.70 0.46 0.00 1.00 0.00 0.00 33.01 33.77 1gm0 s GLN 2 CO 0.00 0.11 1.04 0.39 -2.12 0.00 0.00 175.29 174.71 1gm0 n GLU 3 N 0.19 1.26 -2.14 2.91 1.02 -1.26 -4.90 120.64 117.72 1gm0 n GLU 3 Ca -0.13 -3.08 -0.11 0.00 -0.02 0.00 0.00 57.16 53.82 1gm0 n GLU 3 Cb 0.59 -1.12 0.05 0.00 -0.02 0.00 0.00 31.44 30.93 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 -0.26 1.90 -2.61 2.62 0.31 -1.26 -4.74 118.33 114.29 1gm0 n VAL 4 Ca 0.06 -3.47 -0.03 0.00 -0.01 0.00 0.00 64.34 60.89 1gm0 n VAL 4 Cb 0.82 -0.07 0.05 0.00 -0.91 0.00 0.00 33.84 33.72 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 -0.63 1.82 -0.72 5.55 2.81 -1.26 -5.04 117.12 119.65 1gm0 n MET 5 Ca 0.26 -3.42 -0.32 0.00 -1.81 0.00 0.00 57.70 52.42 1gm0 n MET 5 Cb 0.90 -1.51 0.15 0.00 -0.71 0.00 0.00 33.22 32.05 1gm0 n MET 5 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1gm0 n LYS 6 N -0.49 -0.87 -1.42 0.03 4.01 -1.26 -4.94 118.16 113.22 1gm0 n LYS 6 Ca 0.14 -0.22 -0.37 0.00 -0.51 0.00 0.00 58.31 57.35 1gm0 n LYS 6 Cb 0.87 -1.91 0.05 0.00 -0.51 0.00 0.00 35.03 33.53 1gm0 n LYS 6 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1gm0 n ASN 7 N -2.13 -0.81 -2.52 4.39 6.94 -1.26 -4.42 115.26 115.45 1gm0 n ASN 7 Ca 0.05 0.69 -0.03 0.00 -0.02 0.00 0.00 54.58 55.28 1gm0 n ASN 7 Cb 0.56 -1.22 -0.02 0.00 -2.36 0.00 0.00 39.78 36.73 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1gm0 n LEU 8 N 0.01 -5.70 -0.06 -4.53 -0.00 -1.26 -4.96 117.00 100.49 1gm0 n LEU 8 Ca 0.11 2.29 -0.14 0.00 -0.00 0.00 0.00 56.01 58.27 1gm0 n LEU 8 Cb 0.48 -2.97 -0.06 0.00 -0.00 0.00 0.00 43.42 40.87 1gm0 n LEU 8 CO 0.50 -3.37 0.50 -1.28 -0.00 0.00 0.00 177.39 173.74 1gm0 h SER 9 N 4.30 0.65 -3.19 1.96 0.87 -1.97 -3.43 113.55 112.74 1gm0 h SER 9 Ca -0.27 -0.54 -0.42 0.00 -1.23 0.00 0.00 61.79 59.33 1gm0 h SER 9 Cb 0.61 -0.19 0.21 0.00 -0.44 0.00 0.00 62.40 62.60 1gm0 h SER 9 CO 0.00 1.06 -0.02 -0.76 -0.53 0.00 0.00 176.83 176.59 1gm0 s LEU 10 N -8.84 0.36 -0.77 2.23 1.43 -1.26 -4.98 118.68 106.85 1gm0 s LEU 10 Ca -0.13 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 1gm0 s LEU 10 Cb 0.07 -3.14 0.30 0.00 0.03 0.00 0.00 46.19 43.45 1gm0 s LEU 10 CO 0.82 -4.48 1.13 -3.20 0.23 0.00 0.00 176.35 170.84 1gm0 n ASN 11 N -5.09 5.09 0.06 2.29 2.85 -0.88 -4.83 115.26 114.74 1gm0 n ASN 11 Ca 0.04 -3.55 0.02 0.00 -0.11 0.00 0.00 54.58 50.98 1gm0 n ASN 11 Cb 0.56 -0.83 0.37 0.00 1.24 0.00 0.00 39.78 41.11 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 4.07 0.40 0.21 1.20 -1.00 -1.88 -3.08 116.94 116.86 1gm0 h PHE 12 Ca 0.23 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.98 1gm0 h PHE 12 Cb 0.55 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 1gm0 h PHE 12 CO 0.91 0.42 -0.42 0.78 -1.61 0.00 0.00 178.31 178.39 1gm0 h GLY 13 N 0.72 -1.17 0.56 -1.45 0.00 -1.97 0.15 103.07 99.92 1gm0 h GLY 13 Ca 0.09 0.59 0.06 0.00 0.00 0.00 0.00 47.33 48.06 1gm0 h GLY 13 CO 0.01 -0.32 0.12 0.50 0.00 0.00 0.00 176.54 176.84 1gm0 h LYS 14 N -0.68 0.26 -0.35 4.80 1.79 -1.93 -0.91 116.57 119.56 1gm0 h LYS 14 Ca -0.02 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1gm0 h LYS 14 Cb 0.64 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1gm0 h LYS 14 CO -0.16 0.17 0.19 0.00 -1.08 0.00 0.00 179.45 178.56 1gm0 h ALA 15 N 1.29 0.45 -0.63 3.86 0.00 -1.39 -2.62 119.26 120.23 1gm0 h ALA 15 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1gm0 h ALA 15 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1gm0 h ALA 15 CO -0.23 -0.01 0.25 -0.07 0.00 0.00 0.00 179.25 179.19 1gm0 h LEU 16 N 0.44 0.87 -2.62 0.00 3.38 -0.47 -0.63 115.31 116.29 1gm0 h LEU 16 Ca 0.12 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1gm0 h LEU 16 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1gm0 h LEU 16 CO -0.02 0.81 0.08 -0.78 0.09 0.00 0.00 178.44 178.62 1gm0 h ASP 17 N 0.88 0.00 0.03 -0.43 3.58 -0.84 0.15 116.42 119.79 1gm0 h ASP 17 Ca 0.21 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.29 1gm0 h ASP 17 Cb 0.21 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 1gm0 h ASP 17 CO -0.02 0.00 -2.08 -0.62 -2.88 0.00 0.00 179.24 173.64 1gm0 n GLU 18 N -3.32 0.64 0.10 0.28 1.02 -0.97 -4.36 120.64 114.02 1gm0 n GLU 18 Ca -0.02 0.31 0.01 0.00 -0.02 0.00 0.00 57.16 57.45 1gm0 n GLU 18 Cb 0.16 -1.61 0.35 0.00 -0.02 0.00 0.00 31.44 30.32 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 0.26 0.77 -0.09 0.00 5.09 -0.96 -1.42 116.57 120.22 1gm0 h LYS 20 Ca 0.05 -0.05 -0.10 0.00 0.09 0.00 0.00 60.65 60.64 1gm0 h LYS 20 Cb 0.44 -0.17 0.00 0.00 0.10 0.00 0.00 32.23 32.60 1gm0 h LYS 20 CO 0.03 0.51 -0.34 0.87 -2.09 0.00 0.00 179.45 178.43 1gm0 h LYS 21 N 0.79 0.39 -0.31 0.07 1.57 -1.32 -0.87 116.57 116.89 1gm0 h LYS 21 Ca 0.52 -0.30 0.09 0.00 -1.87 0.00 0.00 60.65 59.10 1gm0 h LYS 21 Cb 0.77 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1gm0 h LYS 21 CO -0.29 0.92 0.22 0.93 -0.57 0.00 0.00 179.45 180.67 1gm0 h GLU 22 N -0.07 0.00 -0.01 3.15 5.08 -0.52 -2.00 114.58 120.21 1gm0 h GLU 22 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1gm0 h GLU 22 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1gm0 h GLU 22 CO 0.07 0.00 -0.07 -1.33 -1.00 0.00 0.00 179.01 176.68 1gm0 n MET 23 N -4.42 1.13 -3.74 2.33 2.81 -1.02 -5.02 117.12 109.20 1gm0 n MET 23 Ca 0.04 -0.74 -0.24 0.00 -1.81 0.00 0.00 57.70 54.95 1gm0 n MET 23 Cb 0.39 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 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 0.07 -4.08 -1.74 2.03 -1.04 -0.75 -5.02 114.28 103.75 1gm0 n THR 24 Ca 0.04 -0.12 -0.26 0.00 -2.04 0.00 0.00 64.05 61.67 1gm0 n THR 24 Cb 0.17 -3.34 0.18 0.00 -1.82 0.00 0.00 70.33 65.52 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 -2.81 0.00 -4.69 -4.42 4.77 -0.36 -5.04 117.00 104.45 1gm0 n LEU 25 Ca -0.26 -1.25 -0.30 0.00 -0.03 0.00 0.00 56.01 54.16 1gm0 n LEU 25 Cb 0.66 -0.89 0.15 0.00 -2.33 0.00 0.00 43.42 41.01 1gm0 n LEU 25 CO 0.64 -1.38 0.66 0.42 -1.33 0.00 0.00 177.39 176.39 1gm0 s THR 26 N -3.48 2.61 -0.01 -5.08 -4.23 -1.26 -4.96 115.64 99.23 1gm0 s THR 26 Ca 0.66 0.20 0.11 0.00 -1.18 0.00 0.00 61.69 61.47 1gm0 s THR 26 Cb -0.02 -2.53 -0.09 0.00 1.34 0.00 0.00 72.50 71.20 1gm0 s THR 26 CO 0.46 -0.26 1.33 -0.78 -0.54 0.00 0.00 174.62 174.84 1gm0 h ASP 27 N -1.66 0.00 -0.68 3.99 1.82 -1.98 -3.35 116.42 114.57 1gm0 h ASP 27 Ca -0.48 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.34 1gm0 h ASP 27 Cb 1.28 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.25 1gm0 h ASP 27 CO 0.51 0.77 0.48 0.00 -1.61 0.00 0.00 179.24 179.38 1gm0 h ALA 28 N 1.23 2.49 -0.18 -0.78 0.00 -2.02 -2.16 119.26 117.83 1gm0 h ALA 28 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1gm0 h ALA 28 Cb 1.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1gm0 h ALA 28 CO 0.10 -0.68 0.42 -0.84 0.00 0.00 0.00 179.25 178.25 1gm0 h ILE 29 N 0.11 0.15 -0.56 0.00 -0.00 -1.94 0.74 117.51 116.01 1gm0 h ILE 29 Ca 0.33 0.00 0.16 0.00 -0.00 0.00 0.00 64.86 65.35 1gm0 h ILE 29 Cb 1.15 0.62 -0.02 0.00 -0.00 0.00 0.00 36.82 38.57 1gm0 h ILE 29 CO -0.04 0.00 0.53 -1.13 -0.00 0.00 0.00 178.15 177.51 1gm0 h ASN 30 N 0.00 0.00 0.00 2.16 -0.73 -1.69 -2.73 115.58 112.59 1gm0 h ASN 30 Ca 0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1gm0 h ASN 30 Cb 0.92 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.51 1gm0 h ASN 30 CO -0.00 0.00 -0.60 -0.62 -0.37 0.00 0.00 177.43 175.84 1gm0 n GLU 31 N -3.83 0.23 0.29 6.67 -0.58 -0.19 -4.75 120.64 118.49 1gm0 n GLU 31 Ca 0.11 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.99 1gm0 n GLU 31 Cb 0.75 -0.80 0.87 0.00 -0.57 0.00 0.00 31.44 31.68 1gm0 n GLU 31 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1gm0 h ASP 32 N 0.00 0.00 0.02 1.62 3.58 -0.97 0.61 116.42 121.29 1gm0 h ASP 32 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1gm0 h ASP 32 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1gm0 h ASP 32 CO 0.00 0.04 -0.01 0.15 -2.88 0.00 0.00 179.24 176.54 1gm0 h PHE 33 N 0.00 -0.03 -0.81 0.28 3.57 -1.72 -3.12 116.94 115.11 1gm0 h PHE 33 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1gm0 h PHE 33 Cb 0.11 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1gm0 h PHE 33 CO 0.00 0.40 0.46 1.88 -2.23 0.00 0.00 178.31 178.82 1gm0 h TYR 34 N -0.46 1.09 0.00 0.41 -1.99 -1.30 -2.32 116.97 112.40 1gm0 h TYR 34 Ca -0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1gm0 h TYR 34 Cb 0.44 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.81 1gm0 h TYR 34 CO 0.07 0.75 0.00 -0.91 -0.00 0.00 0.00 178.16 178.07 1gm0 h ASN 35 N 1.12 0.00 -0.56 3.88 2.35 -1.02 -2.44 115.58 118.91 1gm0 h ASN 35 Ca 0.29 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 56.14 1gm0 h ASN 35 Cb -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1gm0 h ASN 35 CO -0.05 0.00 0.38 0.15 -1.65 0.00 0.00 177.43 176.26 1gm0 h PHE 36 N 0.00 0.35 -0.20 1.19 3.57 -1.35 -1.70 116.94 118.80 1gm0 h PHE 36 Ca 0.00 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 1gm0 h PHE 36 Cb 0.21 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1gm0 h PHE 36 CO 0.00 0.17 -0.46 -1.49 -2.23 0.00 0.00 178.31 174.30 1gm0 h TRP 37 N 0.33 0.62 -2.43 0.41 6.55 -1.61 -3.46 115.95 116.36 1gm0 h TRP 37 Ca 0.26 -0.19 -0.53 0.00 0.95 0.00 0.00 58.89 59.37 1gm0 h TRP 37 Cb 0.58 -0.13 0.01 0.00 -0.86 0.00 0.00 29.16 28.77 1gm0 h TRP 37 CO -0.00 0.88 1.20 0.15 -1.05 0.00 0.00 178.44 179.61 1gm0 s LYS 38 N -4.13 4.15 0.59 0.49 1.02 -0.64 -4.87 119.74 116.35 1gm0 s LYS 38 Ca -0.07 2.51 -0.20 0.00 0.02 0.00 0.00 55.97 58.24 1gm0 s LYS 38 Cb 0.12 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 1gm0 s LYS 38 CO 0.82 -0.93 1.29 -1.21 -0.92 0.00 0.00 175.35 174.41 1gm0 s GLU 39 N 4.30 2.92 0.00 1.68 8.01 -1.26 -3.21 118.70 131.15 1gm0 s GLU 39 Ca 0.85 2.06 0.00 0.00 0.01 0.00 0.00 54.97 57.88 1gm0 s GLU 39 Cb -0.41 -2.04 0.00 0.00 -4.31 0.00 0.00 34.13 27.37 1gm0 s GLU 39 CO 0.39 -1.31 0.00 0.41 0.01 0.00 0.00 175.26 174.76 1gm0 n GLY 40 N 0.73 2.09 3.73 -1.39 0.00 -1.26 -4.98 105.19 104.10 1gm0 n GLY 40 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.33 2.11 -0.72 1.61 6.14 -1.20 -4.99 117.35 118.98 1gm0 s TYR 41 Ca 0.00 1.48 -0.06 0.00 0.64 0.00 0.00 57.07 59.13 1gm0 s TYR 41 Cb 0.00 -3.68 0.19 0.00 0.42 0.00 0.00 41.96 38.89 1gm0 s TYR 41 CO 0.00 -2.86 0.58 -2.00 0.64 0.00 0.00 175.55 171.92 1gm0 s GLU 42 N -3.36 2.97 -0.33 4.97 2.12 -1.26 -5.03 118.70 118.79 1gm0 s GLU 42 Ca 0.82 -2.61 -0.13 0.00 0.36 0.00 0.00 54.97 53.41 1gm0 s GLU 42 Cb -0.37 -3.97 -0.02 0.00 0.26 0.00 0.00 34.13 30.02 1gm0 s GLU 42 CO 0.39 -1.22 0.25 0.42 -0.54 0.00 0.00 175.26 174.57 1gm0 s ILE 43 N -0.17 5.27 0.00 -3.70 1.09 -1.26 -4.88 121.20 117.55 1gm0 s ILE 43 Ca 0.19 -0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.66 1gm0 s ILE 43 Cb -0.16 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 1gm0 s ILE 43 CO -0.06 0.03 0.03 2.29 -0.10 0.00 0.00 174.94 177.13 1gm0 n LYS 44 N 5.15 0.45 -2.28 2.79 2.85 -1.26 -5.05 118.16 120.81 1gm0 n LYS 44 Ca -0.12 -0.03 -0.31 0.00 -1.05 0.00 0.00 58.31 56.80 1gm0 n LYS 44 Cb 0.50 -0.28 -0.02 0.00 -0.65 0.00 0.00 35.03 34.58 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 -0.07 6.48 0.13 -5.58 2.47 -1.26 -4.99 114.94 112.12 1gm0 s ASN 45 Ca 0.00 1.47 -0.29 0.00 0.42 0.00 0.00 52.86 54.46 1gm0 s ASN 45 Cb 0.00 -2.47 -0.05 0.00 -1.45 0.00 0.00 41.25 37.27 1gm0 s ASN 45 CO 0.00 -0.66 1.59 0.03 -3.72 0.00 0.00 177.10 174.34 1gm0 h ARG 46 N 0.54 -0.48 -0.27 0.43 3.08 -1.95 -3.20 114.38 112.53 1gm0 h ARG 46 Ca -0.46 0.03 0.05 0.00 0.07 0.00 0.00 59.98 59.68 1gm0 h ARG 46 Cb 1.19 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1gm0 h ARG 46 CO 0.62 -0.32 0.19 0.93 -1.07 0.00 0.00 179.97 180.32 1gm0 h GLU 47 N -0.49 0.13 -0.22 0.04 5.08 -1.94 0.23 114.58 117.40 1gm0 h GLU 47 Ca 0.07 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1gm0 h GLU 47 Cb 0.62 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1gm0 h GLU 47 CO -0.37 0.08 0.05 1.15 -1.00 0.00 0.00 179.01 178.93 1gm0 h THR 48 N 0.13 0.91 -0.10 1.13 2.02 -1.93 0.23 112.91 115.30 1gm0 h THR 48 Ca 0.12 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1gm0 h THR 48 Cb 0.33 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1gm0 h THR 48 CO -0.02 0.03 -0.03 1.23 0.37 0.00 0.00 175.52 177.10 1gm0 h GLY 49 N 0.14 0.07 0.39 2.16 0.00 -0.73 -1.87 103.07 103.22 1gm0 h GLY 49 Ca 0.10 0.04 0.13 0.00 0.00 0.00 0.00 47.33 47.60 1gm0 h GLY 49 CO -0.13 -0.04 0.58 0.00 0.00 0.00 0.00 176.54 176.95 1gm0 h ALA 51 N 1.54 -0.23 -0.13 0.00 0.00 -0.59 -0.39 119.26 119.46 1gm0 h ALA 51 Ca 0.49 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.33 1gm0 h ALA 51 Cb 0.56 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1gm0 h ALA 51 CO -0.29 -0.55 -0.21 0.82 0.00 0.00 0.00 179.25 179.01 1gm0 h ILE 52 N -0.39 0.47 -0.27 0.00 2.04 -0.55 0.25 117.51 119.06 1gm0 h ILE 52 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1gm0 h ILE 52 Cb 0.30 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1gm0 h ILE 52 CO 0.04 0.00 0.12 -0.03 0.00 0.00 0.00 178.15 178.28 1gm0 h MET 53 N -0.27 0.37 0.07 2.37 4.05 -0.52 -0.97 114.93 120.04 1gm0 h MET 53 Ca 0.10 -0.04 -0.27 0.00 -0.28 0.00 0.00 59.70 59.21 1gm0 h MET 53 Cb 0.42 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1gm0 h MET 53 CO -0.29 0.31 -1.38 0.00 0.23 0.00 0.00 176.91 175.78 1gm0 h LEU 55 N 0.04 0.00 0.00 0.00 3.38 0.49 -3.02 115.31 116.20 1gm0 h LEU 55 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1gm0 h LEU 55 Cb 1.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1gm0 h LEU 55 CO 0.14 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.33 1gm0 n SER 56 N -3.84 0.00 -0.08 -0.43 3.41 -0.46 -1.11 113.62 111.11 1gm0 n SER 56 Ca -0.02 -0.21 0.06 0.00 -0.26 0.00 0.00 58.87 58.44 1gm0 n SER 56 Cb 0.29 -0.16 0.08 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.16 1.40 -1.47 6.66 5.66 -1.14 -4.58 114.28 119.65 1gm0 n THR 57 Ca 0.10 -1.62 0.07 0.00 -3.05 0.00 0.00 64.05 59.55 1gm0 n THR 57 Cb 0.10 0.09 0.14 0.00 -1.55 0.00 0.00 70.33 69.11 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 -0.98 1.12 -0.07 1.09 4.76 -0.27 -4.81 118.16 119.00 1gm0 n LYS 58 Ca 0.09 -2.58 0.08 0.00 -2.87 0.00 0.00 58.31 53.03 1gm0 n LYS 58 Cb 0.52 -1.30 0.45 0.00 -1.84 0.00 0.00 35.03 32.86 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 0.41 0.45 -1.90 -0.35 3.38 -1.81 0.73 115.31 116.22 1gm0 h LEU 59 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1gm0 h LEU 59 Cb 1.12 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1gm0 h LEU 59 CO 0.01 0.30 -0.05 -0.55 0.09 0.00 0.00 178.44 178.23 1gm0 h ASN 60 N 0.52 0.00 0.13 -0.43 -1.07 -1.87 0.15 115.58 113.00 1gm0 h ASN 60 Ca 0.24 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.33 1gm0 h ASN 60 Cb 0.28 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.55 1gm0 h ASN 60 CO -0.07 0.05 -1.15 0.24 0.07 0.00 0.00 177.43 176.57 1gm0 h MET 61 N 0.00 0.62 -0.20 4.14 2.86 -1.23 -3.30 114.93 117.82 1gm0 h MET 61 Ca -0.00 -0.76 -0.06 0.00 -2.06 0.00 0.00 59.70 56.82 1gm0 h MET 61 Cb 0.09 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1gm0 h MET 61 CO 0.01 1.33 -0.12 -0.07 1.06 0.00 0.00 176.91 179.12 1gm0 h LEU 62 N 0.30 0.45 -7.46 1.22 3.38 -1.05 -3.39 115.31 108.77 1gm0 h LEU 62 Ca -0.16 -0.42 -0.64 0.00 0.09 0.00 0.00 57.88 56.75 1gm0 h LEU 62 Cb 1.82 -0.12 -0.40 0.00 0.09 0.00 0.00 40.66 42.04 1gm0 h LEU 62 CO 0.22 0.78 -0.70 -0.62 0.09 0.00 0.00 178.44 178.21 1gm0 s ASP 63 N -6.13 4.43 0.43 -0.43 -1.08 0.51 -2.07 116.67 112.33 1gm0 s ASP 63 Ca -0.14 -2.40 0.22 0.00 -0.52 0.00 0.00 52.55 49.71 1gm0 s ASP 63 Cb 0.06 -1.48 0.94 0.00 -1.46 0.00 0.00 42.92 40.98 1gm0 s ASP 63 CO 0.76 -0.33 1.84 1.55 0.52 0.00 0.00 175.17 179.52 1gm0 h PRO 64 N 7.24 0.00 0.00 4.34 0.13 -1.81 -2.05 132.00 139.86 1gm0 h PRO 64 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1gm0 h PRO 64 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1gm0 h PRO 64 CO 0.56 0.26 0.00 0.93 -0.23 0.00 0.00 178.00 179.52 1gm0 h GLU 65 N 0.00 0.00 -6.14 0.86 5.08 -1.94 -3.48 114.58 108.95 1gm0 h GLU 65 Ca -0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 1gm0 h GLU 65 Cb 0.71 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.02 1gm0 h GLU 65 CO 0.03 0.00 -0.89 0.41 -1.00 0.00 0.00 179.01 177.57 1gm0 n GLY 66 N 1.00 -0.65 0.17 -3.84 0.00 -0.77 -4.94 105.19 96.17 1gm0 n GLY 66 Ca 0.04 0.31 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.79 0.71 -3.29 1.61 2.35 -1.93 -3.44 115.58 109.79 1gm0 h ASN 67 Ca -0.64 -0.75 -0.53 0.00 -0.55 0.00 0.00 56.30 53.83 1gm0 h ASN 67 Cb 1.36 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.52 1gm0 h ASN 67 CO 0.53 1.37 0.57 -0.22 -1.65 0.00 0.00 177.43 178.02 1gm0 s LEU 68 N -8.23 4.40 0.08 1.61 2.96 -1.26 -4.39 118.68 113.85 1gm0 s LEU 68 Ca -0.12 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 1gm0 s LEU 68 Cb 0.05 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1gm0 s LEU 68 CO 0.87 -0.44 -0.04 -1.00 -1.32 0.00 0.00 176.35 174.41 1gm0 s HIS 69 N 0.63 0.72 -0.29 5.38 3.76 -0.96 -4.81 115.29 119.72 1gm0 s HIS 69 Ca 0.57 -1.00 -0.29 0.00 -0.15 0.00 0.00 55.06 54.19 1gm0 s HIS 69 Cb -0.31 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 32.92 1gm0 s HIS 69 CO 0.32 -0.27 1.30 -1.58 -0.85 0.00 0.00 174.74 173.66 1gm0 s HIS 70 N -3.78 2.69 0.00 1.40 2.46 -1.26 -1.44 115.29 115.36 1gm0 s HIS 70 Ca 0.10 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.51 1gm0 s HIS 70 Cb 0.07 -3.89 0.00 0.00 -0.13 0.00 0.00 32.58 28.63 1gm0 s HIS 70 CO -0.07 -1.72 0.00 0.41 -2.47 0.00 0.00 174.74 170.89 1gm0 n GLY 71 N 4.29 0.47 2.59 1.59 0.00 0.52 -5.00 105.19 109.65 1gm0 n GLY 71 Ca 0.15 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 0.98 -2.16 -1.02 1.61 2.85 -0.52 -4.97 115.26 112.04 1gm0 n ASN 72 Ca 0.00 -2.74 0.11 0.00 -0.11 0.00 0.00 54.58 51.84 1gm0 n ASN 72 Cb 0.00 0.80 0.25 0.00 1.24 0.00 0.00 39.78 42.08 1gm0 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gm0 n ALA 73 N 2.72 2.44 0.25 5.20 0.00 -1.25 -2.27 120.51 127.60 1gm0 n ALA 73 Ca 0.22 -0.90 0.14 0.00 0.00 0.00 0.00 53.44 52.91 1gm0 n ALA 73 Cb 0.53 -0.93 0.40 0.00 0.00 0.00 0.00 19.45 19.46 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 3.89 0.00 0.00 0.00 2.86 -1.93 0.49 114.93 120.24 1gm0 h MET 74 Ca 0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1gm0 h MET 74 Cb 0.86 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.48 1gm0 h MET 74 CO 0.00 0.01 -1.97 0.39 1.06 0.00 0.00 176.91 176.40 1gm0 n GLU 75 N -3.10 1.44 0.05 1.72 1.02 -1.26 -3.98 120.64 116.52 1gm0 n GLU 75 Ca 0.02 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1gm0 n GLU 75 Cb 0.43 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.43 1gm0 n GLU 75 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1gm0 h PHE 76 N 0.00 -0.46 -0.62 -0.32 3.57 -1.72 -3.07 116.94 114.32 1gm0 h PHE 76 Ca -0.34 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.30 1gm0 h PHE 76 Cb 1.74 0.21 -0.11 0.00 2.79 0.00 0.00 35.95 40.58 1gm0 h PHE 76 CO 0.00 -0.25 -0.07 0.00 -2.23 0.00 0.00 178.31 175.75 1gm0 h ALA 77 N 0.66 0.52 0.00 2.41 0.00 -1.09 0.56 119.26 122.32 1gm0 h ALA 77 Ca 0.06 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1gm0 h ALA 77 Cb 0.36 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1gm0 h ALA 77 CO -0.18 -0.42 -0.02 0.87 0.00 0.00 0.00 179.25 179.50 1gm0 h LYS 78 N 0.06 0.00 0.00 0.00 1.57 -1.37 0.01 116.57 116.83 1gm0 h LYS 78 Ca 0.32 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1gm0 h LYS 78 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1gm0 h LYS 78 CO -0.59 0.02 -0.08 0.87 -0.57 0.00 0.00 179.45 179.11 1gm0 h LYS 79 N 0.00 0.00 -0.33 3.15 1.57 -0.82 -2.54 116.57 117.61 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 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1gm0 h LYS 79 CO 0.00 0.08 0.00 0.72 -0.57 0.00 0.00 179.45 179.68 1gm0 n HIS 80 N -3.90 1.01 -3.20 -1.35 8.25 -0.04 -4.96 115.22 111.03 1gm0 n HIS 80 Ca -0.02 -0.78 -0.17 0.00 -0.26 0.00 0.00 57.72 56.48 1gm0 n HIS 80 Cb 0.17 -0.28 0.05 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.13 -0.16 3.42 -1.41 0.00 -0.96 -4.86 105.19 101.09 1gm0 n GLY 81 Ca 0.21 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.19 2.50 0.00 4.61 0.00 -1.01 -5.02 121.76 119.66 1gm0 s ALA 82 Ca 0.39 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1gm0 s ALA 82 Cb -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1gm0 s ALA 82 CO 0.48 0.55 0.00 -0.40 0.00 0.00 0.00 175.76 176.39 1gm0 n ASP 83 N 2.23 0.52 -0.09 0.00 5.68 -1.26 -2.31 116.55 121.31 1gm0 n ASP 83 Ca -0.17 -0.52 -0.11 0.00 -0.50 0.00 0.00 54.79 53.49 1gm0 n ASP 83 Cb 0.52 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.46 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1gm0 h GLU 84 N 0.00 0.48 -0.31 0.11 4.81 -1.99 -1.23 114.58 116.46 1gm0 h GLU 84 Ca 0.00 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 58.91 1gm0 h GLU 84 Cb 0.00 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1gm0 h GLU 84 CO 0.00 0.65 -0.44 1.15 -0.73 0.00 0.00 179.01 179.64 1gm0 h THR 85 N 0.26 1.28 -0.15 0.32 2.02 -1.98 0.33 112.91 115.00 1gm0 h THR 85 Ca 0.08 -1.63 0.01 0.00 0.77 0.00 0.00 66.41 65.64 1gm0 h THR 85 Cb 0.44 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1gm0 h THR 85 CO 0.02 0.53 0.08 0.24 0.37 0.00 0.00 175.52 176.75 1gm0 h MET 86 N 0.63 0.16 0.49 6.66 2.86 -1.94 0.13 114.93 123.92 1gm0 h MET 86 Ca 0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1gm0 h MET 86 Cb 1.04 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1gm0 h MET 86 CO 0.10 0.11 -0.42 0.00 1.06 0.00 0.00 176.91 177.76 1gm0 h ALA 87 N 1.08 -0.97 -0.36 6.32 0.00 -1.07 -2.67 119.26 121.59 1gm0 h ALA 87 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1gm0 h ALA 87 Cb 0.01 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1gm0 h ALA 87 CO -0.04 -1.08 0.24 0.37 0.00 0.00 0.00 179.25 178.75 1gm0 h GLN 88 N -0.91 0.45 0.04 0.00 5.75 -0.70 0.95 115.11 120.69 1gm0 h GLN 88 Ca -0.05 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1gm0 h GLN 88 Cb 0.78 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.19 1gm0 h GLN 88 CO -0.03 0.29 -0.23 1.96 -2.65 0.00 0.00 178.83 178.18 1gm0 h GLN 89 N 0.46 -0.37 -0.31 1.69 1.08 -0.89 -0.54 115.11 116.23 1gm0 h GLN 89 Ca 0.14 0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.30 1gm0 h GLN 89 Cb -0.00 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1gm0 h GLN 89 CO -0.03 -0.25 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.44 1gm0 h LEU 90 N -0.38 0.49 -0.35 1.46 3.38 -0.52 -2.39 115.31 117.00 1gm0 h LEU 90 Ca 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1gm0 h LEU 90 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1gm0 h LEU 90 CO -0.18 0.63 0.03 0.40 0.09 0.00 0.00 178.44 179.41 1gm0 h ILE 91 N 0.48 1.25 -0.09 1.22 2.04 -0.95 -0.57 117.51 120.88 1gm0 h ILE 91 Ca 0.09 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1gm0 h ILE 91 Cb 0.45 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1gm0 h ILE 91 CO 0.02 0.30 -0.08 -0.78 0.00 0.00 0.00 178.15 177.61 1gm0 h ASP 92 N 0.41 0.13 -0.01 1.72 3.58 -0.86 -1.20 116.42 120.20 1gm0 h ASP 92 Ca 0.10 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1gm0 h ASP 92 Cb 0.39 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 1gm0 h ASP 92 CO 0.01 0.23 -0.01 0.40 -2.88 0.00 0.00 179.24 177.00 1gm0 h ILE 93 N 0.14 1.33 0.14 2.25 2.04 -1.19 0.41 117.51 122.64 1gm0 h ILE 93 Ca 0.03 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1gm0 h ILE 93 Cb 0.24 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1gm0 h ILE 93 CO 0.01 0.26 -0.22 0.58 0.00 0.00 0.00 178.15 178.79 1gm0 h VAL 94 N -0.39 0.52 0.00 1.67 2.07 -0.37 0.22 116.25 119.97 1gm0 h VAL 94 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1gm0 h VAL 94 Cb 0.43 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1gm0 h VAL 94 CO 0.00 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.00 1gm0 n HIS 95 N -5.34 0.11 0.10 1.57 8.25 -0.52 -0.91 115.22 118.49 1gm0 n HIS 95 Ca -0.07 0.04 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 1gm0 n HIS 95 Cb 0.25 -0.56 -0.14 0.00 1.12 0.00 0.00 29.99 30.66 1gm0 n HIS 95 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1gm0 h GLY 96 N 3.98 0.37 1.37 -1.41 0.00 -0.23 -3.39 103.07 103.75 1gm0 h GLY 96 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 47.33 46.14 1gm0 h GLY 96 CO 0.00 0.82 -1.43 0.00 0.00 0.00 0.00 176.54 175.93 1gm0 h GLU 98 N 0.00 0.57 0.04 0.00 5.08 -1.22 -1.86 114.58 117.19 1gm0 h GLU 98 Ca -0.18 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 57.96 1gm0 h GLU 98 Cb 1.91 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 1gm0 h GLU 98 CO 0.10 0.38 -0.98 0.87 -1.00 0.00 0.00 179.01 178.37 1gm0 h LYS 99 N 0.58 0.09 -0.24 2.33 1.79 -1.73 -3.34 116.57 116.06 1gm0 h LYS 99 Ca 0.62 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.88 1gm0 h LYS 99 Cb 1.21 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1gm0 h LYS 99 CO -0.42 1.08 -0.09 0.66 -1.08 0.00 0.00 179.45 179.60 1gm0 h SER 100 N -0.74 0.36 -2.85 0.86 4.64 -1.49 -3.41 113.55 110.93 1gm0 h SER 100 Ca -0.24 -0.08 -0.54 0.00 -0.47 0.00 0.00 61.79 60.47 1gm0 h SER 100 Cb 1.39 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1gm0 h SER 100 CO -0.05 0.49 0.87 -0.89 -0.87 0.00 0.00 176.83 176.38 1gm0 s THR 101 N -4.81 3.49 0.28 2.95 2.01 -0.70 -4.96 115.64 113.90 1gm0 s THR 101 Ca -0.06 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.55 1gm0 s THR 101 Cb 0.15 -3.59 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 1gm0 s THR 101 CO 0.75 0.00 1.56 -2.16 -0.69 0.00 0.00 174.62 174.08 1gm0 s PRO 102 N 2.36 4.16 -0.46 4.92 0.04 -1.26 -4.83 135.00 139.92 1gm0 s PRO 102 Ca 0.67 2.51 -0.27 0.00 0.04 0.00 0.00 61.00 63.95 1gm0 s PRO 102 Cb -0.34 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1gm0 s PRO 102 CO 0.28 -0.58 2.16 0.00 0.04 0.00 0.00 177.00 178.90 1gm0 s ALA 103 N -0.01 2.09 0.40 8.56 0.00 -1.26 -4.89 121.76 126.66 1gm0 s ALA 103 Ca 0.62 -0.02 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 1gm0 s ALA 103 Cb -0.46 -4.25 -0.11 0.00 0.00 0.00 0.00 23.12 18.29 1gm0 s ALA 103 CO 0.47 -3.84 0.93 1.21 0.00 0.00 0.00 175.76 174.53 1gm0 s ASN 104 N 9.78 6.99 0.37 0.00 3.84 -1.26 -4.96 114.94 129.70 1gm0 s ASN 104 Ca 0.88 1.68 0.11 0.00 0.21 0.00 0.00 52.86 55.74 1gm0 s ASN 104 Cb -0.19 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 38.87 1gm0 s ASN 104 CO 0.27 -0.30 1.85 -0.78 -2.79 0.00 0.00 177.10 175.35 1gm0 h ASP 105 N 2.14 0.59 -3.42 -4.21 1.82 -2.02 -3.40 116.42 107.92 1gm0 h ASP 105 Ca -0.49 0.05 -0.73 0.00 -0.39 0.00 0.00 57.03 55.48 1gm0 h ASP 105 Cb 1.18 -0.06 -0.23 0.00 0.68 0.00 0.00 39.33 40.90 1gm0 h ASP 105 CO 0.62 0.27 -0.40 -0.62 -1.61 0.00 0.00 179.24 177.49 1gm0 s ASP 106 N -5.67 6.02 0.41 2.28 -1.08 -1.26 -4.97 116.67 112.40 1gm0 s ASP 106 Ca -0.10 -1.16 0.08 0.00 -0.52 0.00 0.00 52.55 50.85 1gm0 s ASP 106 Cb 0.23 -2.13 0.87 0.00 -1.46 0.00 0.00 42.92 40.43 1gm0 s ASP 106 CO 0.79 -0.53 2.04 0.50 0.52 0.00 0.00 175.17 178.49 1gm0 h LYS 107 N 8.63 0.54 0.63 4.34 1.63 -1.99 0.00 116.57 130.34 1gm0 h LYS 107 Ca -0.27 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.47 1gm0 h LYS 107 Cb 1.11 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.62 1gm0 h LYS 107 CO 0.79 0.35 -0.30 0.00 -3.45 0.00 0.00 179.45 176.84 1gm0 h ILE 109 N -1.03 1.24 0.03 0.00 2.04 -1.74 -0.18 117.51 117.88 1gm0 h ILE 109 Ca -0.09 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.36 1gm0 h ILE 109 Cb 0.69 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1gm0 h ILE 109 CO 0.14 0.24 -0.28 -0.25 0.00 0.00 0.00 178.15 178.00 1gm0 h TRP 110 N 1.30 -0.75 -0.27 1.37 7.01 -0.97 -1.92 115.95 121.73 1gm0 h TRP 110 Ca 0.36 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.42 1gm0 h TRP 110 Cb -0.13 0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1gm0 h TRP 110 CO -0.00 -0.37 0.18 1.15 -2.79 0.00 0.00 178.44 176.61 1gm0 h THR 111 N -0.44 0.97 0.16 2.65 2.02 -0.17 0.10 112.91 118.20 1gm0 h THR 111 Ca 0.05 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1gm0 h THR 111 Cb 0.51 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1gm0 h THR 111 CO -0.22 0.04 -0.08 0.25 0.37 0.00 0.00 175.52 175.88 1gm0 h LEU 112 N 0.20 -0.19 -0.12 2.58 7.12 -0.79 -1.37 115.31 122.75 1gm0 h LEU 112 Ca 0.11 -0.17 0.04 0.00 0.13 0.00 0.00 57.88 58.00 1gm0 h LEU 112 Cb 0.21 0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.33 1gm0 h LEU 112 CO -0.02 0.06 -0.43 1.23 -0.13 0.00 0.00 178.44 179.16 1gm0 h GLY 113 N -0.44 -0.73 0.42 3.75 0.00 -0.25 0.35 103.07 106.17 1gm0 h GLY 113 Ca -0.02 0.53 0.06 0.00 0.00 0.00 0.00 47.33 47.89 1gm0 h GLY 113 CO 0.04 -0.22 -0.03 -2.08 0.00 0.00 0.00 176.54 174.24 1gm0 h VAL 114 N -0.50 0.72 -0.37 4.60 2.07 -0.90 0.97 116.25 122.84 1gm0 h VAL 114 Ca 0.07 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 1gm0 h VAL 114 Cb 0.63 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1gm0 h VAL 114 CO -0.39 0.01 -0.12 0.00 0.02 0.00 0.00 177.57 177.09 1gm0 h ALA 115 N 1.30 1.11 -0.05 1.67 0.00 -0.91 0.34 119.26 122.73 1gm0 h ALA 115 Ca 0.16 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1gm0 h ALA 115 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1gm0 h ALA 115 CO -0.30 0.55 -0.62 1.15 0.00 0.00 0.00 179.25 180.04 1gm0 h THR 116 N 0.59 1.40 -0.14 0.00 2.02 -0.33 -2.24 112.91 114.21 1gm0 h THR 116 Ca 0.10 -2.03 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 1gm0 h THR 116 Cb 0.54 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1gm0 h THR 116 CO 0.03 0.60 0.06 0.00 0.37 0.00 0.00 175.52 176.58 1gm0 h PHE 118 N 0.08 -1.34 -0.87 0.00 3.57 -0.67 -2.41 116.94 115.31 1gm0 h PHE 118 Ca 0.05 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.68 1gm0 h PHE 118 Cb 0.15 0.56 -0.12 0.00 2.79 0.00 0.00 35.95 39.32 1gm0 h PHE 118 CO -0.02 -0.58 -0.43 1.17 -2.23 0.00 0.00 178.31 176.23 1gm0 n LYS 119 N -5.49 -0.29 0.11 1.11 4.81 -0.87 -0.86 118.16 116.67 1gm0 n LYS 119 Ca -0.09 1.33 0.01 0.00 -0.87 0.00 0.00 58.31 58.69 1gm0 n LYS 119 Cb 0.41 -1.97 0.32 0.00 0.02 0.00 0.00 35.03 33.81 1gm0 n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gm0 h ALA 120 N 0.83 1.34 -0.49 3.14 0.00 -1.45 -2.33 119.26 120.30 1gm0 h ALA 120 Ca 0.22 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1gm0 h ALA 120 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1gm0 h ALA 120 CO -0.84 0.45 -0.19 0.93 0.00 0.00 0.00 179.25 179.60 1gm0 h GLU 121 N 0.22 0.98 -0.65 0.00 4.39 -0.51 -2.57 114.58 116.44 1gm0 h GLU 121 Ca 0.04 -0.40 0.09 0.00 0.34 0.00 0.00 59.36 59.42 1gm0 h GLU 121 Cb 0.56 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1gm0 h GLU 121 CO 0.04 1.08 0.43 0.82 -1.16 0.00 0.00 179.01 180.22 1gm0 h ILE 122 N 0.85 0.94 0.00 3.13 2.04 -0.77 0.77 117.51 124.47 1gm0 h ILE 122 Ca 0.12 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1gm0 h ILE 122 Cb 0.76 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1gm0 h ILE 122 CO 0.06 0.10 -0.06 -0.74 0.00 0.00 0.00 178.15 177.52 1gm0 h HIS 123 N 0.55 0.00 0.05 1.37 2.76 -1.01 -2.37 115.15 116.49 1gm0 h HIS 123 Ca 0.29 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.18 1gm0 h HIS 123 Cb 0.43 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.36 1gm0 h HIS 123 CO -0.00 0.06 -1.48 0.87 -1.30 0.00 0.00 177.93 176.07 1gm0 h LYS 124 N 0.00 0.10 -7.16 5.26 1.57 -0.78 -3.47 116.57 112.08 1gm0 h LYS 124 Ca -0.00 -0.17 -0.53 0.00 -1.87 0.00 0.00 60.65 58.09 1gm0 h LYS 124 Cb 0.26 0.06 0.20 0.00 0.08 0.00 0.00 32.23 32.84 1gm0 h LYS 124 CO 0.01 0.87 0.09 1.28 -0.57 0.00 0.00 179.45 181.13 1gm0 n LEU 125 N -3.28 2.86 -0.69 2.94 4.77 -0.68 -4.95 117.00 117.97 1gm0 n LEU 125 Ca -0.13 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1gm0 n LEU 125 Cb 1.02 -1.43 0.24 0.00 -2.33 0.00 0.00 43.42 40.92 1gm0 n LEU 125 CO 0.47 -2.36 0.66 -0.46 -1.33 0.00 0.00 177.39 174.38 1gm0 n ASN 126 N -3.53 2.23 -4.74 -1.43 6.94 -1.26 -4.85 115.26 108.60 1gm0 n ASN 126 Ca 0.11 -1.68 -0.32 0.00 -0.02 0.00 0.00 54.58 52.67 1gm0 n ASN 126 Cb 0.52 0.08 -0.08 0.00 -2.36 0.00 0.00 39.78 37.94 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 -2.11 1.98 -0.10 -2.53 1.48 -1.26 -5.15 118.94 111.25 1gm0 s TRP 127 Ca 0.30 -0.90 -0.01 0.00 -1.06 0.00 0.00 56.10 54.42 1gm0 s TRP 127 Cb 0.20 -1.65 0.03 0.00 -1.16 0.00 0.00 33.47 30.89 1gm0 s TRP 127 CO 0.37 0.25 -0.02 0.00 -4.06 0.00 0.00 176.95 173.48 1gm0 s ALA 128 N -2.84 0.98 0.77 2.67 0.00 -1.26 -4.90 121.76 117.17 1gm0 s ALA 128 Ca 0.12 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 1gm0 s ALA 128 Cb 0.03 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.35 1gm0 s ALA 128 CO 0.06 -0.52 1.17 -2.30 0.00 0.00 0.00 175.76 174.18 1gm0 n PRO 129 N 5.06 0.39 -1.29 0.00 -0.02 -1.26 -5.01 135.00 132.87 1gm0 n PRO 129 Ca -0.09 0.20 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 1gm0 n PRO 129 Cb 0.50 -2.41 0.10 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.91 4.16 0.19 2.55 0.01 -1.26 -4.81 113.70 112.63 1gm0 s SER 130 Ca 0.75 2.12 -0.11 0.00 1.31 0.00 0.00 55.95 60.02 1gm0 s SER 130 Cb -0.31 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.46 1gm0 s SER 130 CO 0.49 -2.27 1.77 0.24 0.41 0.00 0.00 173.24 173.87 1gm0 h MET 131 N -0.78 0.97 -0.95 12.44 2.86 -1.98 -1.76 114.93 125.74 1gm0 h MET 131 Ca -0.45 -0.15 0.11 0.00 -2.06 0.00 0.00 59.70 57.14 1gm0 h MET 131 Cb 1.26 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 32.68 1gm0 h MET 131 CO 0.49 0.78 0.61 -0.44 1.06 0.00 0.00 176.91 179.41 1gm0 h ASP 132 N 0.93 0.86 0.25 1.22 3.32 -1.98 -0.45 116.42 120.58 1gm0 h ASP 132 Ca 0.23 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1gm0 h ASP 132 Cb 0.14 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1gm0 h ASP 132 CO -0.03 0.49 -0.12 0.58 -1.72 0.00 0.00 179.24 178.44 1gm0 h VAL 133 N 0.94 0.00 0.00 -1.35 2.07 -1.77 -0.51 116.25 115.63 1gm0 h VAL 133 Ca 0.45 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1gm0 h VAL 133 Cb 0.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1gm0 h VAL 133 CO -0.21 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.38 1gm0 n ALA 134 N -2.31 1.36 -0.11 1.67 0.00 -0.72 -0.61 120.51 119.79 1gm0 n ALA 134 Ca -0.04 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1gm0 n ALA 134 Cb 0.13 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 1gm0 n ALA 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gm0 n VAL 135 N -1.80 1.44 -0.32 0.00 0.31 -0.21 -4.28 118.33 113.48 1gm0 n VAL 135 Ca 0.01 -0.74 -0.04 0.00 -0.01 0.00 0.00 64.34 63.56 1gm0 n VAL 135 Cb 0.11 -0.87 0.09 0.00 -0.91 0.00 0.00 33.84 32.25 1gm0 n VAL 135 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1gm0 h GLY 136 N 3.16 1.33 0.75 2.92 0.00 0.54 -3.25 103.07 108.51 1gm0 h GLY 136 Ca -0.55 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.12 1gm0 h GLY 136 CO -0.01 0.60 -0.33 0.83 0.00 0.00 0.00 176.54 177.63 1gm0 h GLU 137 N 1.24 -0.88 0.00 4.80 4.39 -1.07 -1.82 114.58 121.24 1gm0 h GLU 137 Ca 0.31 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1gm0 h GLU 137 Cb 0.07 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1gm0 h GLU 137 CO -0.04 -0.56 -0.07 0.97 -1.16 0.00 0.00 179.01 178.14 1gm0 h ILE 138 N -1.18 0.79 -0.02 3.13 2.10 -1.74 -0.05 117.51 120.54 1gm0 h ILE 138 Ca -0.09 -0.26 -0.25 0.00 1.08 0.00 0.00 64.86 65.33 1gm0 h ILE 138 Cb 0.72 1.15 0.02 0.00 -1.09 0.00 0.00 36.82 37.62 1gm0 h ILE 138 CO 0.15 0.07 -0.99 -0.07 -1.08 0.00 0.00 178.15 176.23 1gm0 h LEU 139 N 0.00 0.83 0.00 2.19 3.38 -1.56 0.09 115.31 120.24 1gm0 h LEU 139 Ca -0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1gm0 h LEU 139 Cb 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1gm0 h LEU 139 CO 0.01 1.45 0.00 0.00 0.09 0.00 0.00 178.44 179.99 1gm0 n ALA 140 N -2.62 1.44 0.00 1.53 0.00 -0.06 -3.94 120.51 116.86 1gm0 n ALA 140 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1gm0 n ALA 140 Cb 0.86 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.12 0.74 0.00 0.00 1.02 -0.96 -0.35 120.64 119.97 1gm0 n GLU 141 Ca 0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1gm0 n GLU 141 Cb 0.01 -0.85 0.38 0.00 -0.02 0.00 0.00 31.44 30.96 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59