#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g80 h ASN 18 N 0.00 0.00 -4.29 -1.12 2.35 -2.00 -3.43 115.58 107.08 2g80 h ASN 18 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 2g80 h ASN 18 Cb 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 38.11 2g80 h ASN 18 CO 0.00 0.00 -0.80 -0.31 -1.65 0.00 0.00 177.43 174.67 2g80 s TYR 19 N -4.54 1.33 0.20 1.19 2.02 -1.26 -4.96 117.35 111.33 2g80 s TYR 19 Ca -0.05 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 2g80 s TYR 19 Cb 0.15 -0.80 0.11 0.00 -0.40 0.00 0.00 41.96 41.02 2g80 s TYR 19 CO 0.52 0.03 1.46 0.66 -1.57 0.00 0.00 175.55 176.65 2g80 h SER 20 N 5.10 0.17 -4.63 2.29 4.64 -1.59 -3.47 113.55 116.05 2g80 h SER 20 Ca -0.38 -0.12 -0.19 0.00 -0.47 0.00 0.00 61.79 60.63 2g80 h SER 20 Cb 1.17 -0.05 -0.23 0.00 -0.31 0.00 0.00 62.40 62.98 2g80 h SER 20 CO 0.45 0.87 -0.70 -0.89 -0.87 0.00 0.00 176.83 175.69 2g80 s THR 21 N -3.36 0.08 -0.05 2.95 2.01 -0.85 -4.10 115.64 112.32 2g80 s THR 21 Ca -0.02 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2g80 s THR 21 Cb 0.11 -0.20 0.00 0.00 0.01 0.00 0.00 72.50 72.42 2g80 s THR 21 CO 0.80 -0.36 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.91 2g80 s TYR 22 N -1.05 1.64 -0.14 4.92 1.51 -0.60 -1.46 117.35 122.17 2g80 s TYR 22 Ca -0.11 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 2g80 s TYR 22 Cb -0.07 -1.13 -0.00 0.00 -0.11 0.00 0.00 41.96 40.65 2g80 s TYR 22 CO -0.01 -0.20 -0.17 -1.17 -1.11 0.00 0.00 175.55 172.89 2g80 s LEU 23 N 0.22 2.40 -0.09 -1.29 2.96 -0.32 -1.26 118.68 121.31 2g80 s LEU 23 Ca -0.07 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2g80 s LEU 23 Cb -0.13 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.03 2g80 s LEU 23 CO 0.03 0.10 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.19 2g80 s LEU 24 N 0.71 1.97 0.70 -0.68 1.43 0.01 -1.52 118.68 121.31 2g80 s LEU 24 Ca -0.08 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 2g80 s LEU 24 Cb -0.16 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.84 2g80 s LEU 24 CO 0.01 0.13 1.09 -0.62 0.23 0.00 0.00 176.35 177.19 2g80 s ASP 25 N 0.39 4.99 -0.00 2.29 2.15 -0.35 -1.32 116.67 124.81 2g80 s ASP 25 Ca -0.17 1.84 -0.00 0.00 0.43 0.00 0.00 52.55 54.65 2g80 s ASP 25 Cb -0.17 -2.53 -0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2g80 s ASP 25 CO 0.07 -1.71 -0.00 -0.38 -0.17 0.00 0.00 175.17 172.98 2g80 n ILE 26 N -2.96 0.01 -2.34 4.11 5.41 -1.26 -3.90 119.36 118.44 2g80 n ILE 26 Ca 0.09 0.50 -0.42 0.00 1.00 0.00 0.00 62.75 63.91 2g80 n ILE 26 Cb 0.53 -1.51 -0.03 0.00 -0.71 0.00 0.00 39.64 37.92 2g80 n ILE 26 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2g80 s GLU 27 N -1.01 4.30 0.00 0.38 8.01 -1.26 -0.67 118.70 128.44 2g80 s GLU 27 Ca -0.00 1.80 0.00 0.00 0.01 0.00 0.00 54.97 56.78 2g80 s GLU 27 Cb 0.00 -3.62 0.00 0.00 -4.31 0.00 0.00 34.13 26.20 2g80 s GLU 27 CO 0.00 -0.56 0.00 0.41 0.01 0.00 0.00 175.26 175.12 2g80 n GLY 28 N 3.55 0.90 1.03 -1.39 0.00 0.70 -4.74 105.19 105.24 2g80 n GLY 28 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 2g80 n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2g80 n THR 29 N -2.06 0.94 0.07 2.61 -1.04 -0.81 -4.43 114.28 109.55 2g80 n THR 29 Ca 0.00 0.31 0.08 0.00 -2.04 0.00 0.00 64.05 62.40 2g80 n THR 29 Cb 0.00 -1.45 -0.12 0.00 -1.82 0.00 0.00 70.33 66.94 2g80 n THR 29 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2g80 n VAL 30 N -3.27 0.00 -4.67 12.58 0.24 0.15 -4.98 118.33 118.39 2g80 n VAL 30 Ca -0.00 -0.33 -0.23 0.00 -2.04 0.00 0.00 64.34 61.73 2g80 n VAL 30 Cb 0.00 0.24 -0.15 0.00 -1.47 0.00 0.00 33.84 32.47 2g80 n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2g80 n PRO 32 N 2.41 2.21 0.26 0.00 -0.02 -1.26 -0.21 135.00 138.39 2g80 n PRO 32 Ca -0.16 0.78 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2g80 n PRO 32 Cb 0.54 -2.43 0.70 0.00 -0.02 0.00 0.00 33.50 32.29 2g80 n PRO 32 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2g80 h ILE 33 N 2.91 0.75 0.00 4.25 2.10 -1.90 -2.41 117.51 123.21 2g80 h ILE 33 Ca -0.46 -0.39 -0.00 0.00 1.08 0.00 0.00 64.86 65.09 2g80 h ILE 33 Cb 1.27 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 38.23 2g80 h ILE 33 CO 0.71 0.10 -0.01 0.77 -1.08 0.00 0.00 178.15 178.64 2g80 h SER 34 N 0.00 0.00 -0.27 2.19 4.64 -1.91 -3.34 113.55 114.86 2g80 h SER 34 Ca -0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 2g80 h SER 34 Cb 0.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 2g80 h SER 34 CO 0.01 0.01 0.03 0.15 -0.87 0.00 0.00 176.83 176.16 2g80 h PHE 35 N 0.00 0.05 -0.40 4.77 3.57 -1.81 0.65 116.94 123.77 2g80 h PHE 35 Ca -0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2g80 h PHE 35 Cb 0.24 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2g80 h PHE 35 CO 0.00 -0.00 0.20 0.28 -2.23 0.00 0.00 178.31 176.56 2g80 h VAL 36 N 0.13 1.17 0.17 1.41 2.07 -1.81 -1.55 116.25 117.82 2g80 h VAL 36 Ca 0.13 -0.46 -0.33 0.00 0.82 0.00 0.00 66.70 66.86 2g80 h VAL 36 Cb 0.15 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2g80 h VAL 36 CO -0.19 0.18 -1.58 0.11 0.02 0.00 0.00 177.57 176.11 2g80 h LYS 37 N 0.51 0.36 0.01 1.57 6.56 -1.78 0.97 116.57 124.77 2g80 h LYS 37 Ca 0.14 -0.61 -0.20 0.00 -1.06 0.00 0.00 60.65 58.92 2g80 h LYS 37 Cb 0.10 0.23 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 2g80 h LYS 37 CO -0.02 1.25 -0.92 0.93 -2.06 0.00 0.00 179.45 178.64 2g80 h GLU 38 N 0.10 0.08 0.00 3.15 5.08 -0.94 -3.40 114.58 118.65 2g80 h GLU 38 Ca -0.27 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2g80 h GLU 38 Cb 2.07 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.35 2g80 h GLU 38 CO 0.19 0.94 -0.14 2.41 -1.00 0.00 0.00 179.01 181.41 2g80 n THR 39 N -3.54 1.13 0.11 1.13 -1.04 -0.65 -4.76 114.28 106.67 2g80 n THR 39 Ca -0.02 0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 62.22 2g80 n THR 39 Cb 0.85 -1.61 -0.08 0.00 -1.82 0.00 0.00 70.33 67.67 2g80 n THR 39 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2g80 h LEU 40 N -0.04 -0.22 0.16 -4.42 3.38 -1.11 -1.46 115.31 111.60 2g80 h LEU 40 Ca -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2g80 h LEU 40 Cb 0.14 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2g80 h LEU 40 CO -0.00 0.07 -0.08 -0.26 0.09 0.00 0.00 178.44 178.26 2g80 h PHE 41 N -0.52 -0.21 -0.98 1.13 -1.00 -1.08 -1.36 116.94 112.92 2g80 h PHE 41 Ca -0.03 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.78 2g80 h PHE 41 Cb 0.39 0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.97 2g80 h PHE 41 CO 0.01 -0.13 0.64 -1.35 -1.61 0.00 0.00 178.31 175.87 2g80 h PRO 42 N -0.22 1.22 -0.15 1.51 0.11 -1.77 0.14 132.00 132.84 2g80 h PRO 42 Ca -0.02 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.05 2g80 h PRO 42 Cb 0.17 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 2g80 h PRO 42 CO 0.03 0.81 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.65 2g80 h TYR 43 N 1.26 -0.14 -0.07 0.65 3.20 -1.09 -0.42 116.97 120.36 2g80 h TYR 43 Ca 0.38 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 2g80 h TYR 43 Cb -0.03 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 2g80 h TYR 43 CO -0.00 -0.10 0.02 0.35 -1.64 0.00 0.00 178.16 176.79 2g80 h PHE 44 N -0.04 0.12 -0.26 -3.82 3.57 -0.79 -2.76 116.94 112.95 2g80 h PHE 44 Ca 0.08 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2g80 h PHE 44 Cb 0.16 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2g80 h PHE 44 CO -0.21 0.26 -0.06 1.79 -2.23 0.00 0.00 178.31 177.86 2g80 h THR 45 N -0.06 1.19 -0.10 4.41 1.35 -0.65 -1.85 112.91 117.20 2g80 h THR 45 Ca 0.02 -0.80 -0.08 0.00 -0.55 0.00 0.00 66.41 65.01 2g80 h THR 45 Cb 0.20 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 2g80 h THR 45 CO -0.00 0.26 -0.28 0.78 -0.25 0.00 0.00 175.52 176.03 2g80 h ASN 46 N 0.40 0.18 1.53 5.36 2.35 -1.06 -3.18 115.58 121.16 2g80 h ASN 46 Ca 0.08 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 2g80 h ASN 46 Cb 0.36 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2g80 h ASN 46 CO 0.02 0.47 -0.48 0.11 -1.65 0.00 0.00 177.43 175.90 2g80 h LYS 47 N 0.17 0.00 -0.26 0.81 1.79 -1.07 -3.41 116.57 114.60 2g80 h LYS 47 Ca 0.03 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.56 2g80 h LYS 47 Cb 0.59 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.17 2g80 h LYS 47 CO 0.04 0.41 -0.27 0.28 -1.08 0.00 0.00 179.45 178.84 2g80 h VAL 48 N 0.00 0.35 -0.49 0.50 2.07 -1.34 -3.10 116.25 114.24 2g80 h VAL 48 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 2g80 h VAL 48 Cb 1.33 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 2g80 h VAL 48 CO 0.05 0.00 0.02 -0.65 0.02 0.00 0.00 177.57 177.01 2g80 h PRO 49 N -0.27 0.13 -0.17 1.57 0.11 -1.79 -1.15 132.00 130.44 2g80 h PRO 49 Ca 0.14 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.25 2g80 h PRO 49 Cb 0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2g80 h PRO 49 CO -0.41 0.09 0.10 0.37 -0.21 0.00 0.00 178.00 177.93 2g80 h GLN 50 N 0.13 0.20 -0.49 1.05 -0.00 -1.84 0.96 115.11 115.12 2g80 h GLN 50 Ca 0.25 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.80 2g80 h GLN 50 Cb 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.79 2g80 h GLN 50 CO -0.40 0.13 -0.05 -0.07 0.00 0.00 0.00 178.83 178.44 2g80 h LEU 51 N 0.20 0.83 0.01 -2.39 3.38 -1.43 -2.11 115.31 113.80 2g80 h LEU 51 Ca 0.06 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2g80 h LEU 51 Cb -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2g80 h LEU 51 CO -0.03 0.93 -0.00 0.58 0.09 0.00 0.00 178.44 180.00 2g80 h VAL 52 N 0.78 1.44 -0.06 1.22 2.07 -1.05 -3.33 116.25 117.33 2g80 h VAL 52 Ca 0.14 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2g80 h VAL 52 Cb 0.54 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2g80 h VAL 52 CO 0.03 0.35 0.01 1.56 0.02 0.00 0.00 177.57 179.54 2g80 h GLN 53 N -0.59 0.08 -5.94 1.57 4.20 -0.80 -3.38 115.11 110.25 2g80 h GLN 53 Ca -0.00 -0.01 -0.61 0.00 0.06 0.00 0.00 58.65 58.09 2g80 h GLN 53 Cb 0.58 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.23 2g80 h GLN 53 CO 0.00 0.08 0.52 -0.65 -0.67 0.00 0.00 178.83 178.12 2g80 s GLN 54 N -5.06 3.41 -0.73 1.46 -0.21 -0.80 -4.99 119.66 112.75 2g80 s GLN 54 Ca -0.05 -0.09 0.01 0.00 0.02 0.00 0.00 55.36 55.25 2g80 s GLN 54 Cb 0.17 -3.98 0.36 0.00 1.00 0.00 0.00 33.01 30.56 2g80 s GLN 54 CO 0.68 -1.31 1.61 -0.40 -2.12 0.00 0.00 175.29 173.75 2g80 n ASP 55 N 7.19 6.35 -4.59 5.90 5.68 -1.26 -4.86 116.55 130.95 2g80 n ASP 55 Ca 0.03 -3.76 -0.42 0.00 -0.50 0.00 0.00 54.79 50.13 2g80 n ASP 55 Cb 0.48 -0.85 -0.02 0.00 -1.14 0.00 0.00 41.12 39.59 2g80 n ASP 55 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2g80 s THR 56 N -5.03 4.02 0.57 2.12 2.01 -1.26 -4.92 115.64 113.15 2g80 s THR 56 Ca 0.48 0.96 0.31 0.00 0.31 0.00 0.00 61.69 63.75 2g80 s THR 56 Cb 0.37 -4.59 0.44 0.00 0.01 0.00 0.00 72.50 68.72 2g80 s THR 56 CO -0.28 -1.16 1.81 0.03 -0.69 0.00 0.00 174.62 174.33 2g80 h ARG 57 N 9.83 0.00 -0.23 4.92 -0.00 -1.97 -2.85 114.38 124.08 2g80 h ARG 57 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 2g80 h ARG 57 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.04 2g80 h ARG 57 CO 1.16 0.00 0.00 -0.25 0.00 0.00 0.00 179.97 180.88 2g80 n ASP 58 N -3.85 1.80 -4.81 7.04 10.43 -1.26 -4.71 116.55 121.19 2g80 n ASP 58 Ca 0.15 -1.80 -0.32 0.00 2.57 0.00 0.00 54.79 55.39 2g80 n ASP 58 Cb 0.93 -0.15 0.03 0.00 1.84 0.00 0.00 41.12 43.77 2g80 n ASP 58 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2g80 s SER 59 N -1.40 5.61 0.32 -2.24 0.01 -1.08 -4.97 113.70 109.95 2g80 s SER 59 Ca 0.30 1.71 0.02 0.00 1.31 0.00 0.00 55.95 59.29 2g80 s SER 59 Cb 0.16 -2.51 0.53 0.00 0.21 0.00 0.00 66.02 64.41 2g80 s SER 59 CO 0.24 -1.29 1.88 -0.65 0.41 0.00 0.00 173.24 173.83 2g80 h PRO 60 N -0.12 0.71 0.00 12.44 0.11 -1.94 -2.83 132.00 140.37 2g80 h PRO 60 Ca -0.45 -0.12 -0.10 0.00 0.11 0.00 0.00 66.00 65.44 2g80 h PRO 60 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2g80 h PRO 60 CO 0.57 0.63 -0.45 -0.24 -0.21 0.00 0.00 178.00 178.30 2g80 h VAL 61 N 0.69 1.17 -0.48 3.15 3.04 -1.96 -3.23 116.25 118.63 2g80 h VAL 61 Ca 0.16 -1.65 -0.08 0.00 -1.01 0.00 0.00 66.70 64.13 2g80 h VAL 61 Cb 0.23 1.93 -0.02 0.00 -2.01 0.00 0.00 31.29 31.42 2g80 h VAL 61 CO -0.01 0.45 -0.01 -1.28 -1.01 0.00 0.00 177.57 175.71 2g80 h SER 62 N 0.00 0.77 -0.52 3.17 0.87 -1.79 0.03 113.55 116.09 2g80 h SER 62 Ca -0.00 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.27 2g80 h SER 62 Cb 0.89 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2g80 h SER 62 CO 0.06 0.84 -0.04 0.78 -0.53 0.00 0.00 176.83 177.94 2g80 h ASN 63 N 0.74 0.96 0.08 6.23 2.35 -1.56 -1.26 115.58 123.13 2g80 h ASN 63 Ca 0.14 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2g80 h ASN 63 Cb 0.47 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2g80 h ASN 63 CO 0.02 1.04 -0.04 0.40 -1.65 0.00 0.00 177.43 177.20 2g80 h ILE 64 N 0.89 1.11 -0.78 2.81 2.04 -1.50 -3.25 117.51 118.83 2g80 h ILE 64 Ca 0.15 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.35 2g80 h ILE 64 Cb 0.58 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 2g80 h ILE 64 CO 0.03 0.17 0.51 -0.07 0.00 0.00 0.00 178.15 178.80 2g80 h LEU 65 N -0.43 0.78 -1.75 1.44 3.38 -0.92 -2.11 115.31 115.70 2g80 h LEU 65 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2g80 h LEU 65 Cb 0.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2g80 h LEU 65 CO 0.02 0.52 -0.15 0.77 0.09 0.00 0.00 178.44 179.70 2g80 h SER 66 N 0.90 0.00 0.14 -0.43 4.64 -1.26 -2.83 113.55 114.71 2g80 h SER 66 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2g80 h SER 66 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2g80 h SER 66 CO -0.10 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2g80 n GLN 67 N -4.23 0.41 0.19 4.77 6.02 -0.79 -1.49 117.38 122.26 2g80 n GLN 67 Ca -0.02 0.06 0.08 0.00 -0.01 0.00 0.00 57.00 57.10 2g80 n GLN 67 Cb 0.22 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.10 2g80 n GLN 67 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2g80 h PHE 68 N 0.00 0.00 -3.93 1.08 0.04 -1.65 -3.49 116.94 109.00 2g80 h PHE 68 Ca 0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 2g80 h PHE 68 Cb 0.07 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.28 2g80 h PHE 68 CO 0.00 0.23 -0.52 0.72 -0.60 0.00 0.00 178.31 178.14 2g80 n HIS 69 N -3.17 -1.72 -3.98 -0.55 8.25 -0.55 -5.02 115.22 108.48 2g80 n HIS 69 Ca 0.03 0.47 -0.31 0.00 -0.26 0.00 0.00 57.72 57.66 2g80 n HIS 69 Cb 0.61 -4.00 -0.16 0.00 1.12 0.00 0.00 29.99 27.57 2g80 n HIS 69 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2g80 s ILE 70 N -3.09 1.66 0.07 1.59 1.01 -1.26 -5.03 121.20 116.14 2g80 s ILE 70 Ca 0.27 -1.16 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 2g80 s ILE 70 Cb -0.12 -1.81 -0.29 0.00 0.01 0.00 0.00 42.46 40.25 2g80 s ILE 70 CO 0.34 0.05 1.11 0.44 0.00 0.00 0.00 174.94 176.88 2g80 h ASP 71 N 7.94 0.48 -2.79 3.58 3.32 -1.96 -3.44 116.42 123.55 2g80 h ASP 71 Ca -0.23 -0.52 -0.56 0.00 0.02 0.00 0.00 57.03 55.74 2g80 h ASP 71 Cb 1.08 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 2g80 h ASP 71 CO 0.45 1.41 0.99 0.21 -1.72 0.00 0.00 179.24 180.58 2g80 s ASN 72 N -7.20 6.80 0.35 6.45 3.84 -1.26 -4.92 114.94 119.00 2g80 s ASN 72 Ca -0.05 1.89 0.04 0.00 0.21 0.00 0.00 52.86 54.95 2g80 s ASN 72 Cb 0.07 -2.54 0.65 0.00 -0.55 0.00 0.00 41.25 38.88 2g80 s ASN 72 CO 0.89 -0.86 1.96 0.11 -2.79 0.00 0.00 177.10 176.41 2g80 h LYS 73 N 8.90 0.67 -0.35 0.43 1.57 -1.94 0.24 116.57 126.10 2g80 h LYS 73 Ca -0.32 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.33 2g80 h LYS 73 Cb 1.14 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2g80 h LYS 73 CO 0.97 0.53 0.00 0.93 -0.57 0.00 0.00 179.45 181.31 2g80 h GLU 74 N 0.67 0.62 -0.44 3.15 4.39 -1.97 -0.10 114.58 120.90 2g80 h GLU 74 Ca 0.17 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2g80 h GLU 74 Cb 0.08 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2g80 h GLU 74 CO -0.02 0.73 -0.05 1.96 -1.16 0.00 0.00 179.01 180.47 2g80 h GLN 75 N 0.43 0.81 -0.51 2.33 4.20 -1.87 -1.59 115.11 118.90 2g80 h GLN 75 Ca 0.10 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 2g80 h GLN 75 Cb 0.45 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2g80 h GLN 75 CO 0.02 0.90 0.26 1.25 -0.67 0.00 0.00 178.83 180.59 2g80 h LEU 76 N 0.65 0.66 0.40 1.46 5.85 -0.46 0.19 115.31 124.05 2g80 h LEU 76 Ca 0.12 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2g80 h LEU 76 Cb 0.57 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2g80 h LEU 76 CO 0.03 0.59 -0.19 -0.61 -0.34 0.00 0.00 178.44 177.92 2g80 h GLN 77 N 0.69 -0.52 -0.86 1.25 4.15 -0.95 -1.95 115.11 116.92 2g80 h GLN 77 Ca 0.18 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.70 2g80 h GLN 77 Cb 0.09 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 2g80 h GLN 77 CO -0.03 -0.33 0.53 0.00 -1.93 0.00 0.00 178.83 177.08 2g80 h ALA 78 N 0.04 1.20 -0.36 3.38 0.00 -1.23 -2.44 119.26 119.84 2g80 h ALA 78 Ca -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2g80 h ALA 78 Cb 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2g80 h ALA 78 CO 0.09 0.25 0.17 1.25 0.00 0.00 0.00 179.25 181.01 2g80 h HIS 79 N 0.95 0.53 -0.37 0.00 -0.00 -0.81 -0.89 115.15 114.56 2g80 h HIS 79 Ca 0.38 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.72 2g80 h HIS 79 Cb 0.21 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 2g80 h HIS 79 CO -0.03 0.46 0.20 0.82 -0.00 0.00 0.00 177.93 179.37 2g80 h ILE 80 N 0.45 1.14 -0.17 6.26 2.04 -1.10 -0.94 117.51 125.20 2g80 h ILE 80 Ca 0.12 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 2g80 h ILE 80 Cb 0.13 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2g80 h ILE 80 CO -0.01 0.15 -0.20 -0.07 0.00 0.00 0.00 178.15 178.01 2g80 h LEU 81 N 0.47 0.28 -0.28 1.44 3.38 -1.38 -2.63 115.31 116.59 2g80 h LEU 81 Ca 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2g80 h LEU 81 Cb 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2g80 h LEU 81 CO -0.02 0.50 -0.01 -0.08 0.09 0.00 0.00 178.44 178.92 2g80 h GLU 82 N 0.27 0.51 -0.99 1.13 4.81 -0.76 -1.86 114.58 117.68 2g80 h GLU 82 Ca 0.05 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2g80 h GLU 82 Cb 0.51 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 2g80 h GLU 82 CO 0.03 0.67 0.64 -0.07 -0.73 0.00 0.00 179.01 179.56 2g80 h LEU 83 N 0.29 1.06 0.17 1.64 3.38 -0.87 -0.34 115.31 120.65 2g80 h LEU 83 Ca 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2g80 h LEU 83 Cb 0.45 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2g80 h LEU 83 CO 0.02 0.72 -0.08 0.58 0.09 0.00 0.00 178.44 179.76 2g80 h VAL 84 N 1.23 0.94 -0.90 1.22 2.07 -1.44 0.12 116.25 119.48 2g80 h VAL 84 Ca 0.40 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 67.37 2g80 h VAL 84 Cb 0.04 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 2g80 h VAL 84 CO -0.14 0.15 0.58 0.00 0.02 0.00 0.00 177.57 178.18 2g80 h ALA 85 N 0.20 1.59 -0.27 1.67 0.00 -1.10 -1.96 119.26 119.39 2g80 h ALA 85 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2g80 h ALA 85 Cb 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2g80 h ALA 85 CO 0.04 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.16 2g80 n LYS 86 N -4.52 1.98 -3.86 0.00 5.02 -0.16 -4.97 118.16 111.65 2g80 n LYS 86 Ca 0.15 -1.49 -0.26 0.00 -2.02 0.00 0.00 58.31 54.69 2g80 n LYS 86 Cb 0.28 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 2g80 n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2g80 n ASP 87 N 0.71 -1.91 -4.71 4.39 2.03 -0.74 -4.96 116.55 111.36 2g80 n ASP 87 Ca 0.17 -0.88 -0.41 0.00 0.52 0.00 0.00 54.79 54.19 2g80 n ASP 87 Cb 0.41 -3.65 -0.03 0.00 -0.72 0.00 0.00 41.12 37.13 2g80 n ASP 87 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2g80 s VAL 88 N -3.64 4.92 -1.10 5.18 1.01 0.33 -4.98 120.40 122.12 2g80 s VAL 88 Ca 0.21 1.86 -0.16 0.00 0.00 0.00 0.00 61.98 63.89 2g80 s VAL 88 Cb -0.11 -4.23 0.14 0.00 0.00 0.00 0.00 36.38 32.19 2g80 s VAL 88 CO 0.85 0.17 1.34 -0.54 0.00 0.00 0.00 175.10 176.92 2g80 s LYS 89 N 1.04 3.88 -0.20 2.72 -0.14 -1.26 -4.83 119.74 120.95 2g80 s LYS 89 Ca 0.47 -2.18 -0.05 0.00 -1.36 0.00 0.00 55.97 52.85 2g80 s LYS 89 Cb -0.20 -5.05 -0.02 0.00 -1.68 0.00 0.00 37.83 30.88 2g80 s LYS 89 CO 0.24 -1.82 -0.00 0.34 -0.76 0.00 0.00 175.35 173.35 2g80 s ASP 90 N 3.30 4.80 0.55 2.83 -1.08 -1.26 -5.02 116.67 120.80 2g80 s ASP 90 Ca 0.40 -0.21 0.29 0.00 -0.52 0.00 0.00 52.55 52.51 2g80 s ASP 90 Cb -0.03 -1.82 1.61 0.00 -1.46 0.00 0.00 42.92 41.22 2g80 s ASP 90 CO -0.03 0.06 2.14 1.55 0.52 0.00 0.00 175.17 179.41 2g80 h PRO 91 N 7.51 0.00 -0.14 4.34 0.13 -1.99 -2.03 132.00 139.82 2g80 h PRO 91 Ca -0.36 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.59 2g80 h PRO 91 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2g80 h PRO 91 CO 0.61 0.07 -0.67 0.82 -0.23 0.00 0.00 178.00 178.60 2g80 h ILE 92 N 0.00 1.34 -0.09 -3.56 1.08 -1.95 -2.13 117.51 112.20 2g80 h ILE 92 Ca -0.00 -1.98 -0.00 0.00 -0.39 0.00 0.00 64.86 62.49 2g80 h ILE 92 Cb 0.21 1.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.91 2g80 h ILE 92 CO 0.01 0.61 0.05 0.25 -0.69 0.00 0.00 178.15 178.38 2g80 h LEU 93 N 0.39 0.11 -1.24 1.44 5.85 -1.79 -1.81 115.31 118.27 2g80 h LEU 93 Ca -0.02 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2g80 h LEU 93 Cb 1.25 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2g80 h LEU 93 CO 0.12 0.13 0.53 0.11 -0.34 0.00 0.00 178.44 179.00 2g80 h LYS 94 N 0.08 0.94 -0.27 1.25 1.79 -1.36 0.22 116.57 119.23 2g80 h LYS 94 Ca 0.03 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 2g80 h LYS 94 Cb 0.04 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 2g80 h LYS 94 CO -0.01 0.62 -0.06 1.96 -1.08 0.00 0.00 179.45 180.89 2g80 h GLN 95 N 0.97 0.51 -0.63 3.15 4.20 -1.32 0.40 115.11 122.39 2g80 h GLN 95 Ca 0.33 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2g80 h GLN 95 Cb 0.10 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2g80 h GLN 95 CO -0.10 0.72 0.38 1.25 -0.67 0.00 0.00 178.83 180.41 2g80 h LEU 96 N 0.26 0.76 -0.62 1.46 5.85 -0.48 -1.02 115.31 121.52 2g80 h LEU 96 Ca 0.07 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2g80 h LEU 96 Cb 0.53 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2g80 h LEU 96 CO 0.03 0.60 0.35 1.56 -0.34 0.00 0.00 178.44 180.64 2g80 h GLN 97 N 0.86 0.64 -0.23 1.25 4.20 -0.56 -1.86 115.11 119.42 2g80 h GLN 97 Ca 0.23 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.93 2g80 h GLN 97 Cb -0.02 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2g80 h GLN 97 CO -0.04 0.42 0.06 0.78 -0.67 0.00 0.00 178.83 179.38 2g80 h GLY 98 N 0.66 0.26 0.93 3.46 0.00 -0.43 0.66 103.07 108.61 2g80 h GLY 98 Ca 0.27 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.58 2g80 h GLY 98 CO -0.16 0.01 0.03 -1.82 0.00 0.00 0.00 176.54 174.60 2g80 h TYR 99 N 0.16 0.05 -0.29 5.60 3.20 -1.00 0.10 116.97 124.80 2g80 h TYR 99 Ca 0.10 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 2g80 h TYR 99 Cb 0.08 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2g80 h TYR 99 CO -0.14 0.03 -0.01 0.28 -1.64 0.00 0.00 178.16 176.68 2g80 h VAL 100 N 0.08 1.26 -0.65 1.81 2.07 -1.21 -3.03 116.25 116.58 2g80 h VAL 100 Ca 0.04 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 2g80 h VAL 100 Cb 0.02 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2g80 h VAL 100 CO -0.04 0.31 0.10 -0.50 0.02 0.00 0.00 177.57 177.45 2g80 h TRP 101 N 0.30 1.15 -0.57 1.57 6.55 -0.81 -0.72 115.95 123.42 2g80 h TRP 101 Ca 0.08 -0.16 0.07 0.00 0.95 0.00 0.00 58.89 59.83 2g80 h TRP 101 Cb 0.45 -0.31 -0.06 0.00 -0.86 0.00 0.00 29.16 28.38 2g80 h TRP 101 CO 0.04 0.98 0.24 0.00 -1.05 0.00 0.00 178.44 178.65 2g80 h ALA 102 N 1.04 0.73 -0.45 1.49 0.00 -0.75 0.29 119.26 121.61 2g80 h ALA 102 Ca 0.20 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2g80 h ALA 102 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2g80 h ALA 102 CO 0.01 -0.14 -0.20 1.25 0.00 0.00 0.00 179.25 180.18 2g80 h HIS 103 N 0.46 1.06 -0.22 0.00 -0.00 -1.40 -0.21 115.15 114.84 2g80 h HIS 103 Ca 0.27 -0.26 0.04 0.00 -0.00 0.00 0.00 60.37 60.42 2g80 h HIS 103 Cb 0.26 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 2g80 h HIS 103 CO -0.14 1.06 -0.02 0.78 -0.00 0.00 0.00 177.93 179.62 2g80 h GLY 104 N 0.76 0.20 0.83 5.26 0.00 -0.14 -0.14 103.07 109.85 2g80 h GLY 104 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 2g80 h GLY 104 CO 0.06 -0.06 -0.01 -0.97 0.00 0.00 0.00 176.54 175.57 2g80 h TYR 105 N 0.05 -0.02 -0.41 5.60 0.05 -0.38 0.58 116.97 122.44 2g80 h TYR 105 Ca 0.11 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 2g80 h TYR 105 Cb 0.14 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2g80 h TYR 105 CO -0.20 0.15 0.09 0.93 -1.05 0.00 0.00 178.16 178.09 2g80 h GLU 106 N -0.19 0.61 0.00 4.88 5.08 -0.96 -1.81 114.58 122.20 2g80 h GLU 106 Ca -0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2g80 h GLU 106 Cb 0.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2g80 h GLU 106 CO 0.00 0.57 0.00 -1.13 -1.00 0.00 0.00 179.01 177.45 2g80 n SER 107 N -4.32 0.00 0.00 1.42 3.41 -0.07 -4.93 113.62 109.13 2g80 n SER 107 Ca 0.03 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2g80 n SER 107 Cb 0.20 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2g80 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g80 n GLY 108 N 1.22 0.51 0.24 5.00 0.00 -0.68 -4.93 105.19 106.54 2g80 n GLY 108 Ca 0.15 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2g80 n GLY 108 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2g80 h GLN 109 N 1.02 0.00 -3.44 1.61 4.20 -1.11 -3.45 115.11 113.94 2g80 h GLN 109 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 2g80 h GLN 109 Cb 0.00 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.54 2g80 h GLN 109 CO 0.00 0.02 -0.52 0.96 -0.67 0.00 0.00 178.83 178.62 2g80 s ILE 110 N -3.36 0.04 -0.00 2.54 -4.36 -1.00 -4.97 121.20 110.09 2g80 s ILE 110 Ca 0.05 -0.34 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 2g80 s ILE 110 Cb 0.06 -0.32 0.00 0.00 1.25 0.00 0.00 42.46 43.45 2g80 s ILE 110 CO 0.63 -0.19 0.00 -0.54 0.24 0.00 0.00 174.94 175.08 2g80 s LYS 111 N -0.63 0.01 -0.29 0.37 1.02 -1.26 -4.24 119.74 114.71 2g80 s LYS 111 Ca -0.07 0.01 -0.28 0.00 0.02 0.00 0.00 55.97 55.65 2g80 s LYS 111 Cb -0.04 -0.04 0.01 0.00 -0.52 0.00 0.00 37.83 37.24 2g80 s LYS 111 CO 0.01 -0.01 1.03 0.00 -0.92 0.00 0.00 175.35 175.46 2g80 s ALA 112 N 0.09 3.55 -1.21 5.17 0.00 0.11 -4.65 121.76 124.82 2g80 s ALA 112 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 2g80 s ALA 112 Cb -0.01 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2g80 s ALA 112 CO -0.00 -1.33 2.17 -0.35 0.00 0.00 0.00 175.76 176.25 2g80 n PRO 113 N 6.64 2.42 -2.43 0.00 -0.04 -1.26 -0.77 135.00 139.55 2g80 n PRO 113 Ca 0.11 -2.26 -0.41 0.00 -0.04 0.00 0.00 63.50 60.90 2g80 n PRO 113 Cb 0.47 -3.09 -0.04 0.00 -0.04 0.00 0.00 33.50 30.81 2g80 n PRO 113 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2g80 s VAL 114 N 3.74 3.67 0.34 0.52 1.01 -1.26 -4.10 120.40 124.32 2g80 s VAL 114 Ca 0.52 1.44 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 2g80 s VAL 114 Cb 0.14 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.49 2g80 s VAL 114 CO -0.01 0.25 1.51 -1.22 0.00 0.00 0.00 175.10 175.62 2g80 n TYR 115 N 2.31 2.84 -0.24 5.22 4.01 -0.52 -4.82 117.16 125.97 2g80 n TYR 115 Ca 0.03 0.38 0.04 0.00 -0.16 0.00 0.00 57.90 58.19 2g80 n TYR 115 Cb 0.45 -2.54 0.16 0.00 -0.31 0.00 0.00 39.34 37.10 2g80 n TYR 115 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2g80 h ALA 116 N 3.67 0.96 0.00 -0.72 0.00 -1.92 -0.34 119.26 120.90 2g80 h ALA 116 Ca -0.49 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2g80 h ALA 116 Cb 1.24 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2g80 h ALA 116 CO 0.70 -0.22 -0.22 0.38 0.00 0.00 0.00 179.25 179.88 2g80 h ASP 117 N 0.41 0.00 0.39 0.00 2.03 -1.99 -2.12 116.42 115.14 2g80 h ASP 117 Ca 0.38 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.48 2g80 h ASP 117 Cb 0.56 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2g80 h ASP 117 CO -0.39 0.22 -0.86 0.00 -1.03 0.00 0.00 179.24 177.18 2g80 h ALA 118 N 1.78 0.48 -0.03 4.15 0.00 -1.44 -2.05 119.26 122.15 2g80 h ALA 118 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2g80 h ALA 118 Cb 0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2g80 h ALA 118 CO 0.03 0.83 0.02 0.82 0.00 0.00 0.00 179.25 180.95 2g80 h ILE 119 N 0.20 1.05 -0.72 0.00 2.04 -0.87 -1.85 117.51 117.36 2g80 h ILE 119 Ca -0.05 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2g80 h ILE 119 Cb 1.47 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 2g80 h ILE 119 CO 0.14 0.04 0.35 0.44 0.00 0.00 0.00 178.15 179.12 2g80 h ASP 120 N -0.00 0.94 0.17 1.72 3.32 -1.42 -1.78 116.42 119.37 2g80 h ASP 120 Ca 0.01 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2g80 h ASP 120 Cb 0.05 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2g80 h ASP 120 CO -0.00 0.81 -0.13 0.15 -1.72 0.00 0.00 179.24 178.35 2g80 h PHE 121 N 1.01 -0.32 -0.86 4.55 3.04 -1.32 -1.88 116.94 121.16 2g80 h PHE 121 Ca 0.25 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.21 2g80 h PHE 121 Cb 0.11 0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.70 2g80 h PHE 121 CO 0.01 -0.20 0.57 0.82 -2.02 0.00 0.00 178.31 177.49 2g80 h ILE 122 N -0.30 1.21 0.00 1.41 2.04 -1.26 -1.57 117.51 119.04 2g80 h ILE 122 Ca -0.01 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2g80 h ILE 122 Cb 0.27 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2g80 h ILE 122 CO -0.01 0.21 -0.28 0.11 0.00 0.00 0.00 178.15 178.18 2g80 h LYS 123 N 1.16 0.00 0.00 2.37 1.57 -1.21 -3.35 116.57 117.11 2g80 h LYS 123 Ca 0.32 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.76 2g80 h LYS 123 Cb -0.12 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 2g80 h LYS 123 CO -0.07 0.28 -2.31 2.89 -0.57 0.00 0.00 179.45 179.67 2g80 n ARG 124 N -3.67 0.68 -2.62 3.15 1.85 -0.72 -4.98 116.66 110.37 2g80 n ARG 124 Ca -0.01 -0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.45 2g80 n ARG 124 Cb 0.40 -1.54 -0.05 0.00 -1.05 0.00 0.00 32.46 30.22 2g80 n ARG 124 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2g80 s LYS 125 N -2.57 4.56 0.19 2.89 -0.14 -0.62 -4.98 119.74 119.06 2g80 s LYS 125 Ca -0.09 1.56 0.01 0.00 -1.36 0.00 0.00 55.97 56.08 2g80 s LYS 125 Cb 0.07 -2.96 0.10 0.00 -1.68 0.00 0.00 37.83 33.35 2g80 s LYS 125 CO 0.84 0.21 1.46 0.87 -0.76 0.00 0.00 175.35 177.96 2g80 h LYS 126 N 3.42 0.31 -3.71 1.68 1.57 -1.91 -3.42 116.57 114.52 2g80 h LYS 126 Ca -0.47 -0.26 -0.54 0.00 -1.87 0.00 0.00 60.65 57.51 2g80 h LYS 126 Cb 1.21 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.18 2g80 h LYS 126 CO 0.66 0.91 -0.77 1.03 -0.57 0.00 0.00 179.45 180.71 2g80 s ARG 127 N -3.57 0.85 -0.10 3.15 0.52 -1.26 -4.97 118.95 113.57 2g80 s ARG 127 Ca -0.05 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2g80 s ARG 127 Cb 0.11 -2.19 0.02 0.00 0.52 0.00 0.00 34.95 33.41 2g80 s ARG 127 CO 0.83 -0.68 -0.09 0.08 0.02 0.00 0.00 175.30 175.46 2g80 s VAL 128 N 1.73 1.06 0.05 3.52 1.01 -1.26 -1.56 120.40 124.95 2g80 s VAL 128 Ca -0.01 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.73 2g80 s VAL 128 Cb -0.17 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2g80 s VAL 128 CO -0.10 0.37 -0.25 -0.36 0.00 0.00 0.00 175.10 174.75 2g80 s PHE 129 N 1.48 2.23 -0.09 5.22 0.08 -0.39 -0.28 117.98 126.22 2g80 s PHE 129 Ca 0.01 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 2g80 s PHE 129 Cb -0.13 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 2g80 s PHE 129 CO -0.06 0.13 0.01 0.42 -0.10 0.00 0.00 175.22 175.62 2g80 s ILE 130 N -0.82 4.35 -0.12 0.64 -1.09 -0.48 -0.81 121.20 122.87 2g80 s ILE 130 Ca 0.11 -0.23 -0.01 0.00 -2.23 0.00 0.00 60.65 58.29 2g80 s ILE 130 Cb -0.10 -2.84 0.03 0.00 -1.58 0.00 0.00 42.46 37.98 2g80 s ILE 130 CO 0.02 0.60 -0.03 -0.47 -1.23 0.00 0.00 174.94 173.83 2g80 s TYR 131 N -0.84 1.20 0.14 3.97 5.04 -0.44 0.24 117.35 126.66 2g80 s TYR 131 Ca 0.13 -0.64 -0.06 0.00 -2.44 0.00 0.00 57.07 54.06 2g80 s TYR 131 Cb -0.11 -1.08 -0.02 0.00 0.35 0.00 0.00 41.96 41.10 2g80 s TYR 131 CO 0.02 -0.49 0.19 0.45 -1.34 0.00 0.00 175.55 174.38 2g80 s SER 132 N 1.80 0.16 0.35 4.32 0.15 -0.82 -4.11 113.70 115.55 2g80 s SER 132 Ca 0.03 -0.96 0.16 0.00 0.70 0.00 0.00 55.95 55.87 2g80 s SER 132 Cb -0.14 0.37 0.65 0.00 -1.71 0.00 0.00 66.02 65.19 2g80 s SER 132 CO -0.07 -0.81 1.74 0.77 1.20 0.00 0.00 173.24 176.07 2g80 h SER 133 N 2.70 0.00 -4.01 5.45 4.64 -1.97 -3.33 113.55 117.03 2g80 h SER 133 Ca -0.33 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.48 2g80 h SER 133 Cb 1.21 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.37 2g80 h SER 133 CO 0.53 0.43 0.48 -0.83 -0.87 0.00 0.00 176.83 176.58 2g80 s GLY 134 N -4.37 2.77 0.85 -0.77 0.00 -1.26 -4.60 107.32 99.94 2g80 s GLY 134 Ca -0.01 0.94 -0.11 0.00 0.00 0.00 0.00 44.72 45.54 2g80 s GLY 134 CO 0.71 1.39 1.11 -1.35 0.00 0.00 0.00 173.10 174.96 2g80 s SER 135 N -1.38 3.71 0.25 1.64 1.04 -1.26 -4.70 113.70 113.00 2g80 s SER 135 Ca 0.65 1.87 -0.03 0.00 0.48 0.00 0.00 55.95 58.92 2g80 s SER 135 Cb -0.29 -2.47 0.43 0.00 0.10 0.00 0.00 66.02 63.79 2g80 s SER 135 CO 0.34 -2.55 1.81 0.58 0.98 0.00 0.00 173.24 174.41 2g80 h VAL 136 N -1.49 0.89 -0.63 5.02 2.07 -1.94 -0.80 116.25 119.38 2g80 h VAL 136 Ca -0.45 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2g80 h VAL 136 Cb 1.25 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2g80 h VAL 136 CO 0.49 0.15 0.29 0.50 0.02 0.00 0.00 177.57 179.02 2g80 h LYS 137 N 0.81 0.91 -0.44 1.57 3.64 -1.99 -0.62 116.57 120.45 2g80 h LYS 137 Ca 0.42 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 2g80 h LYS 137 Cb 0.41 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2g80 h LYS 137 CO -0.26 0.74 -0.08 0.00 -2.27 0.00 0.00 179.45 177.58 2g80 h ALA 138 N 1.13 1.02 0.01 5.00 0.00 -1.64 -1.84 119.26 122.94 2g80 h ALA 138 Ca 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2g80 h ALA 138 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2g80 h ALA 138 CO -0.03 0.59 -0.00 1.96 0.00 0.00 0.00 179.25 181.77 2g80 h GLN 139 N 0.71 -0.01 -0.89 0.00 4.20 -0.85 -1.12 115.11 117.14 2g80 h GLN 139 Ca 0.13 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.92 2g80 h GLN 139 Cb 0.55 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 2g80 h GLN 139 CO 0.03 0.27 0.55 0.87 -0.67 0.00 0.00 178.83 179.89 2g80 h LYS 140 N -0.30 0.93 -0.24 1.46 1.57 -1.04 -0.41 116.57 118.54 2g80 h LYS 140 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2g80 h LYS 140 Cb 0.29 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2g80 h LYS 140 CO 0.00 0.61 0.10 1.25 -0.57 0.00 0.00 179.45 180.85 2g80 h LEU 141 N 0.95 0.32 -0.16 2.94 5.85 -1.32 -1.12 115.31 122.78 2g80 h LEU 141 Ca 0.41 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 59.01 2g80 h LEU 141 Cb 0.28 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2g80 h LEU 141 CO -0.21 0.38 -0.02 0.25 -0.34 0.00 0.00 178.44 178.50 2g80 h LEU 142 N 0.24 -0.10 -0.24 2.25 6.46 -0.44 -2.60 115.31 120.87 2g80 h LEU 142 Ca 0.08 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2g80 h LEU 142 Cb 0.15 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2g80 h LEU 142 CO -0.01 -0.03 0.00 0.49 -0.62 0.00 0.00 178.44 178.27 2g80 n PHE 143 N -5.15 0.43 0.58 1.25 3.72 -0.23 -2.86 117.46 115.20 2g80 n PHE 143 Ca -0.03 0.15 0.13 0.00 -0.05 0.00 0.00 57.45 57.65 2g80 n PHE 143 Cb 0.10 -0.75 0.38 0.00 -0.94 0.00 0.00 39.48 38.27 2g80 n PHE 143 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2g80 h GLY 144 N 3.14 0.00 -6.00 1.37 0.00 -0.79 0.19 103.07 100.99 2g80 h GLY 144 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2g80 h GLY 144 CO 0.00 0.00 -1.17 -1.72 0.00 0.00 0.00 176.54 173.65 2g80 n TYR 145 N -2.36 0.06 -3.21 5.60 4.01 -1.14 -4.03 117.16 116.10 2g80 n TYR 145 Ca 0.05 -3.75 -0.39 0.00 -0.16 0.00 0.00 57.90 53.66 2g80 n TYR 145 Cb 0.44 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 39.02 2g80 n TYR 145 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2g80 s VAL 146 N -2.09 4.94 0.20 -0.72 1.01 0.20 -0.72 120.40 123.23 2g80 s VAL 146 Ca 0.39 1.23 -0.31 0.00 0.00 0.00 0.00 61.98 63.29 2g80 s VAL 146 Cb 0.30 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 2g80 s VAL 146 CO -0.09 0.40 1.61 -1.58 0.00 0.00 0.00 175.10 175.44 2g80 s GLN 147 N -0.07 4.18 -0.31 2.72 0.74 0.05 0.11 119.66 127.08 2g80 s GLN 147 Ca 0.31 2.46 -0.29 0.00 0.05 0.00 0.00 55.36 57.89 2g80 s GLN 147 Cb -0.18 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.83 2g80 s GLN 147 CO 0.17 -0.64 1.25 0.34 -0.55 0.00 0.00 175.29 175.86 2g80 s ASP 148 N 0.98 6.73 0.48 6.67 -1.08 -1.26 -4.66 116.67 124.53 2g80 s ASP 148 Ca 0.69 1.17 0.13 0.00 -0.52 0.00 0.00 52.55 54.02 2g80 s ASP 148 Cb -0.46 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.59 2g80 s ASP 148 CO 0.35 -1.04 2.11 -0.65 0.52 0.00 0.00 175.17 176.46 2g80 h PRO 149 N 9.04 0.19 0.00 4.34 0.11 -1.92 -1.08 132.00 142.68 2g80 h PRO 149 Ca -0.25 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 2g80 h PRO 149 Cb 1.09 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2g80 h PRO 149 CO 1.03 0.13 -0.09 -0.97 -0.21 0.00 0.00 178.00 177.89 2g80 h ASN 150 N 0.20 0.00 -0.58 -2.05 -1.24 -2.01 -3.39 115.58 106.50 2g80 h ASN 150 Ca 0.07 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.97 2g80 h ASN 150 Cb 0.03 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 38.92 2g80 h ASN 150 CO -0.01 0.09 -0.36 0.00 -1.29 0.00 0.00 177.43 175.86 2g80 n ALA 151 N -2.16 -2.50 -0.32 1.57 0.00 -0.68 -5.05 120.51 111.37 2g80 n ALA 151 Ca -0.00 -0.70 0.19 0.00 0.00 0.00 0.00 53.44 52.92 2g80 n ALA 151 Cb 0.33 -2.11 0.38 0.00 0.00 0.00 0.00 19.45 18.05 2g80 n ALA 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2g80 h PRO 152 N 4.53 0.21 0.00 0.00 0.11 -1.45 -1.38 132.00 134.02 2g80 h PRO 152 Ca -0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2g80 h PRO 152 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2g80 h PRO 152 CO 0.00 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 177.93 2g80 h ALA 153 N 1.84 1.00 -3.20 -0.75 0.00 -1.97 -3.41 119.26 112.78 2g80 h ALA 153 Ca 0.65 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.43 2g80 h ALA 153 Cb 1.42 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.27 2g80 h ALA 153 CO -0.67 0.00 0.08 0.72 0.00 0.00 0.00 179.25 179.39 2g80 n HIS 154 N -2.51 -3.62 -1.65 0.00 8.25 -0.52 -4.99 115.22 110.18 2g80 n HIS 154 Ca 0.05 -0.34 -0.40 0.00 -0.26 0.00 0.00 57.72 56.76 2g80 n HIS 154 Cb 0.43 -0.35 0.03 0.00 1.12 0.00 0.00 29.99 31.22 2g80 n HIS 154 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2g80 n ASP 155 N -3.44 1.57 -4.77 0.41 8.00 -1.26 -4.84 116.55 112.21 2g80 n ASP 155 Ca 0.05 0.98 -0.29 0.00 0.71 0.00 0.00 54.79 56.23 2g80 n ASP 155 Cb 0.19 -1.42 0.12 0.00 -0.02 0.00 0.00 41.12 39.98 2g80 n ASP 155 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2g80 s SER 156 N -0.85 3.88 0.07 -2.24 1.04 -1.26 -4.40 113.70 109.93 2g80 s SER 156 Ca 0.67 1.22 0.05 0.00 0.48 0.00 0.00 55.95 58.37 2g80 s SER 156 Cb -0.49 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 2g80 s SER 156 CO 0.53 -2.35 -0.03 -0.76 0.98 0.00 0.00 173.24 171.62 2g80 s LEU 157 N -5.98 3.36 -0.29 2.42 1.43 0.30 -4.83 118.68 115.10 2g80 s LEU 157 Ca 0.62 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 2g80 s LEU 157 Cb -0.15 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2g80 s LEU 157 CO 0.55 0.20 0.10 -0.62 0.23 0.00 0.00 176.35 176.81 2g80 s ASP 158 N -2.08 5.24 0.00 2.29 2.15 -1.26 -0.63 116.67 122.38 2g80 s ASP 158 Ca 0.23 -0.51 0.23 0.00 0.43 0.00 0.00 52.55 52.93 2g80 s ASP 158 Cb -0.11 -1.93 0.15 0.00 -0.30 0.00 0.00 42.92 40.72 2g80 s ASP 158 CO 0.15 -0.15 1.20 0.18 -0.17 0.00 0.00 175.17 176.39 2g80 n LEU 159 N 4.92 2.75 0.23 -1.34 4.77 0.66 -4.61 117.00 124.38 2g80 n LEU 159 Ca -0.15 -0.95 0.11 0.00 -0.03 0.00 0.00 56.01 54.98 2g80 n LEU 159 Cb 0.49 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.26 2g80 n LEU 159 CO 0.32 0.47 1.09 0.78 -1.33 0.00 0.00 177.39 178.72 2g80 h ASN 160 N 4.14 0.00 0.65 -1.43 2.35 -1.90 -0.13 115.58 119.24 2g80 h ASN 160 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2g80 h ASN 160 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2g80 h ASN 160 CO 0.00 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.24 2g80 n SER 161 N -4.42 0.29 -0.29 5.81 3.41 -1.26 -2.93 113.62 114.23 2g80 n SER 161 Ca -0.01 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 2g80 n SER 161 Cb 0.17 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 2g80 n SER 161 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2g80 n TYR 162 N -1.81 0.00 -3.71 7.33 4.01 -0.07 -4.93 117.16 117.98 2g80 n TYR 162 Ca 0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.41 2g80 n TYR 162 Cb 0.21 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 2g80 n TYR 162 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2g80 s ILE 163 N -2.47 5.24 -0.68 -0.72 1.01 -1.15 -4.66 121.20 117.76 2g80 s ILE 163 Ca 0.13 0.14 0.25 0.00 0.00 0.00 0.00 60.65 61.17 2g80 s ILE 163 Cb 0.16 -3.43 0.13 0.00 0.01 0.00 0.00 42.46 39.33 2g80 s ILE 163 CO 0.61 0.36 1.49 0.47 0.00 0.00 0.00 174.94 177.87 2g80 n ASP 164 N 4.21 0.73 0.00 3.58 8.00 0.61 -4.98 116.55 128.69 2g80 n ASP 164 Ca -0.15 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2g80 n ASP 164 Cb 0.52 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2g80 n ASP 164 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g80 n GLY 165 N 1.33 0.52 2.91 0.44 0.00 -1.23 -4.99 105.19 104.17 2g80 n GLY 165 Ca 0.04 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 2g80 n GLY 165 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g80 s TYR 166 N -2.00 0.28 0.03 1.61 1.51 -1.26 -1.38 117.35 116.13 2g80 s TYR 166 Ca 0.00 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.06 2g80 s TYR 166 Cb 0.00 -0.20 -0.02 0.00 -0.11 0.00 0.00 41.96 41.63 2g80 s TYR 166 CO 0.00 -0.02 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.23 2g80 s PHE 167 N 0.02 1.20 0.27 2.71 0.08 0.14 -4.93 117.98 117.47 2g80 s PHE 167 Ca 0.00 -0.32 0.04 0.00 0.12 0.00 0.00 56.93 56.77 2g80 s PHE 167 Cb -0.02 -0.73 -0.01 0.00 -0.57 0.00 0.00 43.02 41.69 2g80 s PHE 167 CO -0.00 0.02 0.14 -0.40 -0.10 0.00 0.00 175.22 174.87 2g80 n ASP 168 N 2.12 0.57 -0.23 1.36 5.68 -1.26 -1.95 116.55 122.84 2g80 n ASP 168 Ca -0.17 -2.55 -0.02 0.00 -0.50 0.00 0.00 54.79 51.56 2g80 n ASP 168 Cb 0.55 0.89 0.18 0.00 -1.14 0.00 0.00 41.12 41.60 2g80 n ASP 168 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 2g80 h ILE 169 N 1.58 1.22 -0.29 2.12 1.08 -1.73 -1.77 117.51 119.72 2g80 h ILE 169 Ca -0.21 -0.55 -0.17 0.00 -0.39 0.00 0.00 64.86 63.54 2g80 h ILE 169 Cb 0.86 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.82 2g80 h ILE 169 CO 0.32 0.25 -0.49 0.78 -0.69 0.00 0.00 178.15 178.32 2g80 h ASN 170 N 1.04 0.93 0.57 1.72 2.35 -1.94 0.13 115.58 120.38 2g80 h ASN 170 Ca 0.27 -0.52 -0.16 0.00 -0.55 0.00 0.00 56.30 55.33 2g80 h ASN 170 Cb 0.02 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2g80 h ASN 170 CO -0.04 1.28 -0.72 0.71 -1.65 0.00 0.00 177.43 177.00 2g80 h THR 171 N 0.61 1.47 0.00 2.81 1.35 -1.92 -3.41 112.91 113.82 2g80 h THR 171 Ca 0.02 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 2g80 h THR 171 Cb 1.09 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2g80 h THR 171 CO 0.11 0.68 -0.65 -1.20 -0.25 0.00 0.00 175.52 174.21 2g80 n SER 172 N -3.74 3.26 0.00 5.36 7.64 -0.68 -4.96 113.62 120.50 2g80 n SER 172 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2g80 n SER 172 Cb 0.70 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 2g80 n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g80 n GLY 173 N 1.85 -0.91 3.77 0.23 0.00 0.46 -4.04 105.19 106.54 2g80 n GLY 173 Ca 0.00 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 2g80 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g80 s LYS 174 N -0.55 4.06 0.54 1.61 1.02 -1.26 -4.21 119.74 120.95 2g80 s LYS 174 Ca 0.00 2.10 0.35 0.00 0.02 0.00 0.00 55.97 58.44 2g80 s LYS 174 Cb 0.00 -2.80 1.70 0.00 -0.52 0.00 0.00 37.83 36.21 2g80 s LYS 174 CO 0.00 -0.40 2.07 0.87 -0.92 0.00 0.00 175.35 176.97 2g80 h LYS 175 N 2.81 0.00 -0.36 1.68 1.57 -1.96 -2.78 116.57 117.52 2g80 h LYS 175 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2g80 h LYS 175 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2g80 h LYS 175 CO 0.63 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.76 2g80 n THR 176 N -2.91 0.47 -4.20 -0.16 -2.24 -1.26 -4.40 114.28 99.58 2g80 n THR 176 Ca -0.01 -0.70 -0.34 0.00 -2.27 0.00 0.00 64.05 60.73 2g80 n THR 176 Cb 0.18 0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 2g80 n THR 176 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2g80 s GLU 177 N -1.53 3.66 0.30 -0.78 0.41 -1.05 -4.66 118.70 115.05 2g80 s GLU 177 Ca 0.38 -0.51 0.05 0.00 -0.41 0.00 0.00 54.97 54.48 2g80 s GLU 177 Cb 0.22 -3.02 0.69 0.00 -1.78 0.00 0.00 34.13 30.24 2g80 s GLU 177 CO 0.31 0.12 1.81 1.15 -0.49 0.00 0.00 175.26 178.16 2g80 h THR 178 N 5.25 0.79 -0.98 3.63 2.02 -1.88 -2.33 112.91 119.42 2g80 h THR 178 Ca -0.34 -0.29 0.13 0.00 0.77 0.00 0.00 66.41 66.69 2g80 h THR 178 Cb 1.18 -0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.40 2g80 h THR 178 CO 0.62 0.15 0.62 -0.61 0.37 0.00 0.00 175.52 176.67 2g80 h GLN 179 N 0.83 0.87 -0.90 6.66 5.75 -1.93 0.12 115.11 126.52 2g80 h GLN 179 Ca 0.54 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 59.06 2g80 h GLN 179 Cb 0.75 -0.20 -0.07 0.00 1.07 0.00 0.00 27.48 29.04 2g80 h GLN 179 CO -0.32 0.58 0.56 0.77 -2.65 0.00 0.00 178.83 177.77 2g80 h SER 180 N 0.90 0.88 0.56 -0.69 0.02 -1.56 -0.44 113.55 113.22 2g80 h SER 180 Ca 0.50 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.34 2g80 h SER 180 Cb 0.59 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2g80 h SER 180 CO -0.26 0.55 -0.60 1.88 -1.14 0.00 0.00 176.83 177.25 2g80 h TYR 181 N 1.00 0.06 -0.66 3.45 0.05 -1.07 -1.80 116.97 118.00 2g80 h TYR 181 Ca 0.40 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 59.08 2g80 h TYR 181 Cb 0.22 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 2g80 h TYR 181 CO -0.03 0.63 0.08 0.00 -1.05 0.00 0.00 178.16 177.79 2g80 h ALA 182 N 1.36 0.90 -0.55 3.88 0.00 -0.89 -1.08 119.26 122.88 2g80 h ALA 182 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2g80 h ALA 182 Cb 1.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2g80 h ALA 182 CO 0.08 0.67 0.33 -0.91 0.00 0.00 0.00 179.25 179.42 2g80 h ASN 183 N 1.02 0.67 -0.46 0.00 2.35 -0.75 -2.07 115.58 116.34 2g80 h ASN 183 Ca 0.20 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 2g80 h ASN 183 Cb 0.48 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2g80 h ASN 183 CO 0.02 0.54 -0.10 0.40 -1.65 0.00 0.00 177.43 176.64 2g80 h ILE 184 N 0.75 1.27 -0.69 2.81 2.04 -1.17 -2.49 117.51 120.02 2g80 h ILE 184 Ca 0.20 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2g80 h ILE 184 Cb 0.00 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2g80 h ILE 184 CO -0.04 0.42 0.44 -0.07 0.00 0.00 0.00 178.15 178.90 2g80 h LEU 185 N 0.73 0.81 -0.23 1.44 3.38 -1.11 0.35 115.31 120.68 2g80 h LEU 185 Ca 0.12 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2g80 h LEU 185 Cb 0.64 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2g80 h LEU 185 CO 0.04 0.61 -0.13 -0.09 0.09 0.00 0.00 178.44 178.96 2g80 h ARG 186 N 0.94 -0.11 -0.08 1.13 2.43 -1.29 0.13 114.38 117.54 2g80 h ARG 186 Ca 0.25 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.27 2g80 h ARG 186 Cb -0.07 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2g80 h ARG 186 CO -0.05 -0.07 -0.63 -0.44 -1.51 0.00 0.00 179.97 177.27 2g80 h ASP 187 N -0.11 0.33 -0.27 -3.80 3.32 -1.06 -3.13 116.42 111.70 2g80 h ASP 187 Ca 0.13 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 2g80 h ASP 187 Cb 0.30 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2g80 h ASP 187 CO -0.30 0.87 -0.41 0.40 -1.72 0.00 0.00 179.24 178.08 2g80 h ILE 188 N 0.21 1.30 -4.47 0.35 2.04 -0.18 -3.49 117.51 113.27 2g80 h ILE 188 Ca -0.01 -1.61 -0.07 0.00 1.00 0.00 0.00 64.86 64.18 2g80 h ILE 188 Cb 1.16 1.66 0.05 0.00 -0.74 0.00 0.00 36.82 38.94 2g80 h ILE 188 CO 0.10 0.52 -0.23 0.61 0.00 0.00 0.00 178.15 179.15 2g80 n GLY 189 N 0.30 -0.65 3.27 5.37 0.00 0.43 -5.07 105.19 108.84 2g80 n GLY 189 Ca -0.04 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2g80 n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g80 s ALA 190 N -3.10 -0.91 0.22 4.61 0.00 -1.23 -5.10 121.76 116.25 2g80 s ALA 190 Ca 0.12 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 2g80 s ALA 190 Cb -0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 2g80 s ALA 190 CO 0.45 -0.23 1.32 0.15 0.00 0.00 0.00 175.76 177.45 2g80 s LYS 191 N -0.68 4.37 0.30 0.00 3.01 -1.26 -4.87 119.74 120.61 2g80 s LYS 191 Ca -0.08 2.10 0.05 0.00 -1.01 0.00 0.00 55.97 57.03 2g80 s LYS 191 Cb -0.04 -3.17 0.77 0.00 -1.01 0.00 0.00 37.83 34.38 2g80 s LYS 191 CO 0.03 -0.26 1.69 0.00 0.51 0.00 0.00 175.35 177.32 2g80 h ALA 192 N 5.06 1.49 0.00 5.17 0.00 -1.88 -0.44 119.26 128.67 2g80 h ALA 192 Ca -0.45 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2g80 h ALA 192 Cb 1.22 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2g80 h ALA 192 CO 0.76 -0.37 -0.02 0.66 0.00 0.00 0.00 179.25 180.28 2g80 h SER 193 N 0.39 0.00 0.12 0.00 4.64 -1.89 -1.65 113.55 115.15 2g80 h SER 193 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2g80 h SER 193 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2g80 h SER 193 CO -0.54 0.02 -0.04 -0.62 -0.87 0.00 0.00 176.83 174.78 2g80 n GLU 194 N -3.90 1.10 -4.29 4.77 1.02 -0.18 -4.78 120.64 114.39 2g80 n GLU 194 Ca -0.03 -0.38 -0.34 0.00 -0.02 0.00 0.00 57.16 56.39 2g80 n GLU 194 Cb 0.10 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 29.92 2g80 n GLU 194 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2g80 s VAL 195 N -2.16 4.22 -0.20 2.62 1.01 -0.62 -1.63 120.40 123.65 2g80 s VAL 195 Ca 0.38 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 2g80 s VAL 195 Cb 0.21 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2g80 s VAL 195 CO 0.39 0.51 -0.01 -0.22 0.00 0.00 0.00 175.10 175.77 2g80 s LEU 196 N 0.08 3.20 -0.22 3.92 2.96 -0.53 -1.82 118.68 126.26 2g80 s LEU 196 Ca 0.02 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 2g80 s LEU 196 Cb -0.13 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2g80 s LEU 196 CO 0.02 0.07 0.06 0.12 -1.32 0.00 0.00 176.35 175.30 2g80 s PHE 197 N 0.98 3.12 -0.18 5.38 5.36 0.56 -1.18 117.98 132.03 2g80 s PHE 197 Ca 0.01 -0.27 -0.03 0.00 -0.96 0.00 0.00 56.93 55.69 2g80 s PHE 197 Cb -0.14 -2.18 -0.01 0.00 -0.34 0.00 0.00 43.02 40.34 2g80 s PHE 197 CO 0.01 -0.20 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.00 2g80 s LEU 198 N 1.20 2.92 0.03 6.12 1.43 -0.57 -1.19 118.68 128.62 2g80 s LEU 198 Ca 0.04 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 2g80 s LEU 198 Cb -0.14 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.42 2g80 s LEU 198 CO 0.03 0.08 0.53 -0.55 0.23 0.00 0.00 176.35 176.67 2g80 s SER 199 N 0.87 -0.46 0.05 2.29 0.15 -1.06 -1.21 113.70 114.34 2g80 s SER 199 Ca -0.02 0.24 0.26 0.00 0.70 0.00 0.00 55.95 57.14 2g80 s SER 199 Cb -0.15 0.49 0.74 0.00 -1.71 0.00 0.00 66.02 65.39 2g80 s SER 199 CO 0.01 -0.69 1.60 -0.90 1.20 0.00 0.00 173.24 174.46 2g80 n ASP 200 N 0.52 0.43 -4.47 5.45 5.75 -1.26 -0.72 116.55 122.26 2g80 n ASP 200 Ca -0.19 0.17 -0.43 0.00 -0.01 0.00 0.00 54.79 54.34 2g80 n ASP 200 Cb 0.60 -0.14 -0.10 0.00 -1.03 0.00 0.00 41.12 40.45 2g80 n ASP 200 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2g80 s ASN 201 N -3.47 6.13 0.52 -1.12 3.84 -1.26 -4.84 114.94 114.75 2g80 s ASN 201 Ca 0.11 -0.83 0.20 0.00 0.21 0.00 0.00 52.86 52.55 2g80 s ASN 201 Cb 0.16 -2.18 1.33 0.00 -0.55 0.00 0.00 41.25 40.01 2g80 s ASN 201 CO 0.64 -0.48 2.08 -0.65 -2.79 0.00 0.00 177.10 175.89 2g80 h PRO 202 N 8.66 0.00 -0.08 0.43 0.11 -2.00 -2.06 132.00 137.06 2g80 h PRO 202 Ca -0.27 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.76 2g80 h PRO 202 Cb 1.12 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2g80 h PRO 202 CO 0.75 0.00 -0.34 -0.07 -0.21 0.00 0.00 178.00 178.13 2g80 h LEU 203 N 0.00 0.15 -0.11 2.35 3.38 -1.97 0.26 115.31 119.37 2g80 h LEU 203 Ca 0.12 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2g80 h LEU 203 Cb 0.48 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2g80 h LEU 203 CO -0.00 0.49 -0.15 -0.33 0.09 0.00 0.00 178.44 178.54 2g80 h GLU 204 N 0.13 0.29 -0.86 1.13 5.08 -1.58 -2.68 114.58 116.08 2g80 h GLU 204 Ca 0.02 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2g80 h GLU 204 Cb 0.67 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 2g80 h GLU 204 CO 0.05 0.73 0.46 -0.07 -1.00 0.00 0.00 179.01 179.19 2g80 h LEU 205 N -0.13 1.09 -0.59 1.33 3.38 -1.28 -1.78 115.31 117.32 2g80 h LEU 205 Ca 0.01 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2g80 h LEU 205 Cb 0.70 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2g80 h LEU 205 CO 0.03 0.88 0.39 0.44 0.09 0.00 0.00 178.44 180.27 2g80 h ASP 206 N 1.21 0.66 -0.39 -0.43 3.32 -0.99 -0.46 116.42 119.34 2g80 h ASP 206 Ca 0.30 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2g80 h ASP 206 Cb 0.05 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2g80 h ASP 206 CO -0.05 0.48 0.20 0.00 -1.72 0.00 0.00 179.24 178.15 2g80 h ALA 207 N 1.23 0.50 -0.44 3.45 0.00 -1.10 -2.97 119.26 119.92 2g80 h ALA 207 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2g80 h ALA 207 Cb -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2g80 h ALA 207 CO -0.06 0.05 0.29 0.00 0.00 0.00 0.00 179.25 179.53 2g80 h ALA 208 N 1.05 0.56 0.00 0.00 0.00 -1.14 -2.56 119.26 117.18 2g80 h ALA 208 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2g80 h ALA 208 Cb 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2g80 h ALA 208 CO -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.23 2g80 h ALA 209 N 1.16 1.16 0.00 0.00 0.00 -0.99 -2.28 119.26 118.32 2g80 h ALA 209 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2g80 h ALA 209 Cb -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2g80 h ALA 209 CO -0.03 0.01 -0.09 0.78 0.00 0.00 0.00 179.25 179.92 2g80 h GLY 210 N 0.20 0.00 -1.70 0.00 0.00 -1.30 -2.59 103.07 97.68 2g80 h GLY 210 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2g80 h GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 2g80 n VAL 211 N -3.49 2.02 -0.80 4.60 0.24 -0.86 -4.99 118.33 115.04 2g80 n VAL 211 Ca -0.02 -1.63 0.00 0.00 -2.04 0.00 0.00 64.34 60.65 2g80 n VAL 211 Cb 0.22 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 2g80 n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2g80 n GLY 212 N -0.15 0.67 3.73 7.63 0.00 -0.97 -4.74 105.19 111.36 2g80 n GLY 212 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2g80 n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g80 s ILE 213 N -2.37 3.91 0.49 -0.61 1.01 -1.18 -3.74 121.20 118.71 2g80 s ILE 213 Ca 0.00 1.53 -0.22 0.00 0.00 0.00 0.00 60.65 61.96 2g80 s ILE 213 Cb 0.00 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 2g80 s ILE 213 CO 0.00 0.21 1.20 0.00 0.00 0.00 0.00 174.94 176.34 2g80 s ALA 214 N 0.26 2.88 0.09 9.38 0.00 -0.75 -4.04 121.76 129.58 2g80 s ALA 214 Ca 0.53 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.54 2g80 s ALA 214 Cb -0.30 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2g80 s ALA 214 CO 0.33 -0.82 -0.16 0.95 0.00 0.00 0.00 175.76 176.06 2g80 s THR 215 N -1.54 1.32 -0.09 0.00 -4.23 -1.26 -0.32 115.64 109.53 2g80 s THR 215 Ca 0.67 -1.45 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 2g80 s THR 215 Cb -0.30 -1.29 0.04 0.00 1.34 0.00 0.00 72.50 72.28 2g80 s THR 215 CO 0.36 -0.22 0.21 -0.83 -0.54 0.00 0.00 174.62 173.60 2g80 s GLY 216 N -1.93 -0.12 -0.41 3.99 0.00 -0.33 -4.68 107.32 103.84 2g80 s GLY 216 Ca 0.02 0.80 -0.22 0.00 0.00 0.00 0.00 44.72 45.33 2g80 s GLY 216 CO 0.03 0.97 0.69 -2.27 0.00 0.00 0.00 173.10 172.52 2g80 s LEU 217 N 0.89 4.32 0.06 0.66 2.96 0.68 -2.56 118.68 125.70 2g80 s LEU 217 Ca -0.06 -0.05 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 2g80 s LEU 217 Cb -0.08 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 2g80 s LEU 217 CO -0.05 -0.75 1.07 0.00 -1.32 0.00 0.00 176.35 175.29 2g80 s ALA 218 N 2.94 3.28 -0.15 5.97 0.00 0.11 -0.23 121.76 133.67 2g80 s ALA 218 Ca 0.26 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.91 2g80 s ALA 218 Cb -0.14 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2g80 s ALA 218 CO 0.18 -0.26 -0.16 0.45 0.00 0.00 0.00 175.76 175.98 2g80 s SER 219 N 0.71 2.78 0.08 0.00 0.15 0.57 -4.22 113.70 113.76 2g80 s SER 219 Ca 0.53 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.69 2g80 s SER 219 Cb -0.25 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 62.78 2g80 s SER 219 CO 0.30 -0.03 -0.09 -0.13 1.20 0.00 0.00 173.24 174.49 2g80 s ARG 220 N 1.39 0.73 0.21 5.44 1.81 -1.26 -4.20 118.95 123.07 2g80 s ARG 220 Ca 0.04 -1.06 -0.32 0.00 -1.72 0.00 0.00 55.73 52.67 2g80 s ARG 220 Cb -0.13 -0.38 -0.13 0.00 -0.45 0.00 0.00 34.95 33.86 2g80 s ARG 220 CO -0.10 0.05 1.54 -2.30 -0.68 0.00 0.00 175.30 173.80 2g80 n PRO 221 N 0.75 2.24 0.00 3.54 -0.02 -1.26 -1.68 135.00 138.57 2g80 n PRO 221 Ca -0.18 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2g80 n PRO 221 Cb 0.57 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2g80 n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2g80 n GLY 222 N 2.89 1.09 3.82 -1.23 0.00 -1.26 -4.79 105.19 105.71 2g80 n GLY 222 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2g80 n GLY 222 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2g80 s ASN 223 N -2.56 5.09 0.53 1.61 -0.87 -0.68 -4.90 114.94 113.17 2g80 s ASN 223 Ca 0.00 1.45 -0.22 0.00 -1.57 0.00 0.00 52.86 52.52 2g80 s ASN 223 Cb 0.00 -2.28 -0.05 0.00 -0.02 0.00 0.00 41.25 38.90 2g80 s ASN 223 CO 0.00 -1.61 1.36 0.00 -2.57 0.00 0.00 177.10 174.28 2g80 s ALA 224 N -3.12 2.87 0.67 0.60 0.00 -1.26 -4.94 121.76 116.57 2g80 s ALA 224 Ca 0.59 1.33 -0.17 0.00 0.00 0.00 0.00 51.96 53.71 2g80 s ALA 224 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2g80 s ALA 224 CO 0.54 -1.33 1.22 -2.14 0.00 0.00 0.00 175.76 174.05 2g80 s PRO 225 N -2.86 2.50 -0.27 0.00 0.02 -1.26 -4.99 135.00 128.15 2g80 s PRO 225 Ca 0.70 1.83 -0.21 0.00 0.02 0.00 0.00 61.00 63.34 2g80 s PRO 225 Cb -0.40 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.23 2g80 s PRO 225 CO 0.48 -1.57 0.67 0.08 -0.33 0.00 0.00 177.00 176.33 2g80 s VAL 226 N -1.76 4.94 0.37 3.83 1.01 -1.26 -5.05 120.40 122.48 2g80 s VAL 226 Ca 0.77 1.13 -0.28 0.00 0.00 0.00 0.00 61.98 63.59 2g80 s VAL 226 Cb -0.31 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 2g80 s VAL 226 CO 0.40 -0.05 1.44 -2.84 0.00 0.00 0.00 175.10 174.05 2g80 s PRO 227 N 2.62 4.12 0.29 2.72 0.02 -1.26 -4.92 135.00 138.59 2g80 s PRO 227 Ca 0.28 2.47 0.04 0.00 0.02 0.00 0.00 61.00 63.81 2g80 s PRO 227 Cb -0.15 -2.96 0.68 0.00 0.02 0.00 0.00 34.50 32.09 2g80 s PRO 227 CO 0.09 -0.48 1.77 0.38 -0.33 0.00 0.00 177.00 178.43 2g80 h ASP 228 N 3.01 0.69 -3.50 2.53 3.04 -2.06 -3.29 116.42 116.84 2g80 h ASP 228 Ca -0.50 0.10 -0.77 0.00 -3.24 0.00 0.00 57.03 52.61 2g80 h ASP 228 Cb 1.24 -0.02 -0.25 0.00 -1.04 0.00 0.00 39.33 39.26 2g80 h ASP 228 CO 0.64 0.24 0.31 -0.83 -2.04 0.00 0.00 179.24 177.57 2g80 s GLY 229 N -3.67 2.61 -0.10 7.15 0.00 -1.26 -5.01 107.32 107.04 2g80 s GLY 229 Ca -0.11 -3.31 -0.10 0.00 0.00 0.00 0.00 44.72 41.20 2g80 s GLY 229 CO 0.79 1.42 0.28 -0.86 0.00 0.00 0.00 173.10 174.74 2g80 s GLN 230 N 0.44 0.37 0.51 2.90 1.03 -1.24 -5.09 119.66 118.57 2g80 s GLN 230 Ca 0.23 0.32 0.30 0.00 0.04 0.00 0.00 55.36 56.25 2g80 s GLN 230 Cb -0.09 0.17 1.11 0.00 0.03 0.00 0.00 33.01 34.24 2g80 s GLN 230 CO -0.09 -0.05 1.89 1.57 -2.54 0.00 0.00 175.29 176.07 2g80 h LYS 231 N 5.50 0.00 -6.67 9.60 2.10 -1.95 -3.47 116.57 121.68 2g80 h LYS 231 Ca -0.26 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.88 2g80 h LYS 231 Cb 1.19 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.49 2g80 h LYS 231 CO 0.34 0.04 0.11 0.71 -2.00 0.00 0.00 179.45 178.65 2g80 s TYR 232 N -3.58 3.50 0.15 0.07 2.02 -1.26 -5.04 117.35 113.20 2g80 s TYR 232 Ca 0.02 1.31 -0.30 0.00 -0.37 0.00 0.00 57.07 57.73 2g80 s TYR 232 Cb 0.08 -2.59 -0.08 0.00 -0.40 0.00 0.00 41.96 38.98 2g80 s TYR 232 CO 0.58 0.19 1.25 -1.14 -1.57 0.00 0.00 175.55 174.86 2g80 s GLN 233 N -2.54 4.43 -0.18 -0.62 0.74 -1.26 -4.85 119.66 115.38 2g80 s GLN 233 Ca 0.49 1.91 -0.11 0.00 0.05 0.00 0.00 55.36 57.71 2g80 s GLN 233 Cb -0.13 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 2g80 s GLN 233 CO 0.19 -0.22 0.18 0.08 -0.55 0.00 0.00 175.29 174.97 2g80 s VAL 234 N 0.44 5.38 -0.21 1.34 1.01 -1.26 -0.23 120.40 126.88 2g80 s VAL 234 Ca 0.57 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.84 2g80 s VAL 234 Cb -0.33 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2g80 s VAL 234 CO 0.34 0.45 -0.11 -0.31 0.00 0.00 0.00 175.10 175.47 2g80 s TYR 235 N 0.21 2.91 -0.25 5.22 2.02 0.68 -4.92 117.35 123.22 2g80 s TYR 235 Ca 0.11 -1.33 0.19 0.00 -0.37 0.00 0.00 57.07 55.67 2g80 s TYR 235 Cb -0.12 -2.03 0.10 0.00 -0.40 0.00 0.00 41.96 39.51 2g80 s TYR 235 CO 0.01 -0.68 1.31 0.87 -1.57 0.00 0.00 175.55 175.48 2g80 h LYS 236 N 8.03 0.00 -3.01 -0.62 1.79 -1.85 0.16 116.57 121.07 2g80 h LYS 236 Ca -0.41 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.12 2g80 h LYS 236 Cb 1.14 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.74 2g80 h LYS 236 CO 0.61 0.22 0.23 0.54 -1.08 0.00 0.00 179.45 179.97 2g80 s ASN 237 N -6.06 -0.24 -0.02 0.86 2.20 -1.26 -4.74 114.94 105.67 2g80 s ASN 237 Ca 0.03 -0.64 0.21 0.00 -0.94 0.00 0.00 52.86 51.52 2g80 s ASN 237 Cb 0.07 0.74 0.64 0.00 -2.00 0.00 0.00 41.25 40.70 2g80 s ASN 237 CO 0.74 -1.37 1.54 0.49 -2.94 0.00 0.00 177.10 175.57 2g80 n PHE 238 N -0.46 1.04 -0.36 1.54 3.72 -1.26 -4.60 117.46 117.08 2g80 n PHE 238 Ca -0.04 -0.52 0.08 0.00 -0.05 0.00 0.00 57.45 56.92 2g80 n PHE 238 Cb 0.59 -0.05 0.25 0.00 -0.94 0.00 0.00 39.48 39.33 2g80 n PHE 238 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2g80 h GLU 239 N 4.13 0.94 0.00 -1.08 5.08 -1.98 -2.55 114.58 119.11 2g80 h GLU 239 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2g80 h GLU 239 Cb 1.06 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2g80 h GLU 239 CO 0.04 0.62 -0.12 0.25 -1.00 0.00 0.00 179.01 178.80 2g80 n THR 240 N -4.64 0.20 1.97 1.13 -2.24 -1.26 -5.12 114.28 104.31 2g80 n THR 240 Ca 0.20 -0.11 0.16 0.00 -2.27 0.00 0.00 64.05 62.03 2g80 n THR 240 Cb 0.38 -0.40 0.92 0.00 -2.10 0.00 0.00 70.33 69.14 2g80 n THR 240 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68