#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g80 s TYR 19 N 0.00 3.04 0.13 1.20 2.02 -1.26 -5.03 117.35 117.45 2g80 s TYR 19 Ca 0.00 0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 2g80 s TYR 19 Cb 0.00 -1.63 -0.15 0.00 -0.40 0.00 0.00 41.96 39.78 2g80 s TYR 19 CO 0.00 0.46 1.30 1.03 -1.57 0.00 0.00 175.55 176.77 2g80 h SER 20 N 4.09 0.11 -4.59 2.29 0.87 -1.68 -3.47 113.55 111.17 2g80 h SER 20 Ca -0.48 -0.11 -0.35 0.00 -1.23 0.00 0.00 61.79 59.61 2g80 h SER 20 Cb 1.17 -0.04 -0.22 0.00 -0.44 0.00 0.00 62.40 62.88 2g80 h SER 20 CO 0.58 1.04 -0.76 -0.89 -0.53 0.00 0.00 176.83 176.27 2g80 s THR 21 N -2.84 0.84 -0.04 2.23 2.01 -0.95 -3.96 115.64 112.93 2g80 s THR 21 Ca -0.01 -1.17 0.04 0.00 0.31 0.00 0.00 61.69 60.87 2g80 s THR 21 Cb 0.10 -0.84 -0.00 0.00 0.01 0.00 0.00 72.50 71.76 2g80 s THR 21 CO 0.83 -0.28 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.00 2g80 s TYR 22 N -1.28 1.63 -0.16 4.92 1.51 -0.09 -2.09 117.35 121.79 2g80 s TYR 22 Ca -0.05 -0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 55.56 2g80 s TYR 22 Cb -0.10 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 2g80 s TYR 22 CO 0.01 -0.14 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.04 2g80 s LEU 23 N -0.03 2.74 -0.08 -1.29 2.96 -0.32 -0.59 118.68 122.07 2g80 s LEU 23 Ca -0.02 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 2g80 s LEU 23 Cb -0.10 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2g80 s LEU 23 CO 0.02 0.10 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.18 2g80 s LEU 24 N 0.72 1.99 0.66 -0.68 1.43 0.23 -1.41 118.68 121.61 2g80 s LEU 24 Ca -0.05 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 2g80 s LEU 24 Cb -0.15 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 2g80 s LEU 24 CO 0.02 0.14 1.06 -0.62 0.23 0.00 0.00 176.35 177.18 2g80 s ASP 25 N 0.32 5.52 0.00 2.29 2.15 -0.52 -0.86 116.67 125.57 2g80 s ASP 25 Ca -0.15 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.53 2g80 s ASP 25 Cb -0.17 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2g80 s ASP 25 CO 0.07 -1.35 0.00 -0.38 -0.17 0.00 0.00 175.17 173.34 2g80 n ILE 26 N -2.71 0.00 -1.72 4.11 5.41 -1.26 -3.94 119.36 119.25 2g80 n ILE 26 Ca 0.08 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.41 2g80 n ILE 26 Cb 0.53 -0.38 -0.03 0.00 -0.71 0.00 0.00 39.64 39.05 2g80 n ILE 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2g80 n GLU 27 N -0.67 2.77 -0.95 0.38 1.02 -1.26 -1.62 120.64 120.31 2g80 n GLU 27 Ca 0.00 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 2g80 n GLU 27 Cb 0.00 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 28.57 2g80 n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g80 n GLY 28 N 3.97 0.65 1.23 0.62 0.00 0.68 -4.65 105.19 107.68 2g80 n GLY 28 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.35 0.19 -0.05 2.61 -1.04 -0.97 -4.41 114.28 108.26 2g80 n THR 29 Ca 0.00 0.06 0.02 0.00 -2.04 0.00 0.00 64.05 62.10 2g80 n THR 29 Cb 0.04 -0.89 -0.16 0.00 -1.82 0.00 0.00 70.33 67.49 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 -2.70 0.56 -5.16 12.58 0.24 -0.64 -4.96 118.33 118.25 2g80 n VAL 30 Ca 0.00 -0.63 -0.31 0.00 -2.04 0.00 0.00 64.34 61.36 2g80 n VAL 30 Cb 0.00 -0.19 -0.15 0.00 -1.47 0.00 0.00 33.84 32.03 2g80 n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2g80 s PRO 32 N -0.83 3.90 0.48 0.00 0.04 -1.26 -0.23 135.00 137.10 2g80 s PRO 32 Ca 0.11 2.27 0.21 0.00 0.04 0.00 0.00 61.00 63.62 2g80 s PRO 32 Cb -0.10 -2.75 1.23 0.00 0.04 0.00 0.00 34.50 32.92 2g80 s PRO 32 CO 0.00 -0.59 2.03 0.97 0.04 0.00 0.00 177.00 179.46 2g80 h ILE 33 N 2.46 0.87 0.00 0.56 2.10 -1.90 -2.95 117.51 118.64 2g80 h ILE 33 Ca -0.50 -0.57 -0.02 0.00 1.08 0.00 0.00 64.86 64.85 2g80 h ILE 33 Cb 1.25 1.33 -0.00 0.00 -1.09 0.00 0.00 36.82 38.31 2g80 h ILE 33 CO 0.62 0.15 -0.10 0.77 -1.08 0.00 0.00 178.15 178.52 2g80 h SER 34 N 0.00 0.00 -0.75 2.19 4.64 -1.90 -3.31 113.55 114.41 2g80 h SER 34 Ca -0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 2g80 h SER 34 Cb 0.32 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.33 2g80 h SER 34 CO 0.02 0.10 0.37 0.15 -0.87 0.00 0.00 176.83 176.60 2g80 h PHE 35 N 0.00 0.66 0.32 4.77 3.57 -1.91 0.43 116.94 124.78 2g80 h PHE 35 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2g80 h PHE 35 Cb 0.21 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2g80 h PHE 35 CO 0.00 0.20 -0.15 0.28 -2.23 0.00 0.00 178.31 176.41 2g80 h VAL 36 N 0.60 0.71 0.15 1.41 2.07 -1.81 -0.44 116.25 118.93 2g80 h VAL 36 Ca 0.39 -0.27 -0.29 0.00 0.82 0.00 0.00 66.70 67.35 2g80 h VAL 36 Cb 0.46 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2g80 h VAL 36 CO -0.31 0.06 -1.32 0.11 0.02 0.00 0.00 177.57 176.13 2g80 h LYS 37 N -0.57 0.31 0.02 1.57 1.57 -1.77 0.21 116.57 117.90 2g80 h LYS 37 Ca -0.04 -0.53 -0.21 0.00 -1.87 0.00 0.00 60.65 58.00 2g80 h LYS 37 Cb 0.42 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2g80 h LYS 37 CO 0.07 1.24 -0.93 0.93 -0.57 0.00 0.00 179.45 180.20 2g80 h GLU 38 N 0.08 0.19 0.00 3.15 5.08 -1.01 -3.40 114.58 118.68 2g80 h GLU 38 Ca -0.17 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2g80 h GLU 38 Cb 2.01 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.33 2g80 h GLU 38 CO 0.21 0.99 -0.74 2.41 -1.00 0.00 0.00 179.01 180.88 2g80 n THR 39 N -3.62 0.03 0.19 1.13 -1.04 -0.71 -4.75 114.28 105.51 2g80 n THR 39 Ca -0.04 0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.85 2g80 n THR 39 Cb 0.84 -1.26 -0.07 0.00 -1.82 0.00 0.00 70.33 68.01 2g80 n THR 39 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2g80 h LEU 40 N 0.00 -0.43 0.03 -4.42 5.85 -0.93 -1.28 115.31 114.13 2g80 h LEU 40 Ca 0.00 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2g80 h LEU 40 Cb 0.74 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2g80 h LEU 40 CO 0.00 -0.04 -0.01 -0.26 -0.34 0.00 0.00 178.44 177.79 2g80 h PHE 41 N -0.89 -0.04 -0.99 1.25 -1.00 -0.85 -2.62 116.94 111.81 2g80 h PHE 41 Ca -0.05 -0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.87 2g80 h PHE 41 Cb 0.54 0.01 -0.09 0.00 3.61 0.00 0.00 35.95 40.02 2g80 h PHE 41 CO 0.02 0.03 0.61 -1.35 -1.61 0.00 0.00 178.31 176.01 2g80 h PRO 42 N -0.09 0.87 -0.56 1.51 0.11 -1.77 0.41 132.00 132.48 2g80 h PRO 42 Ca -0.00 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.10 2g80 h PRO 42 Cb 0.08 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 30.94 2g80 h PRO 42 CO 0.01 0.58 0.29 -0.92 -0.21 0.00 0.00 178.00 177.74 2g80 h TYR 43 N 0.90 0.53 -0.13 0.65 3.20 -1.05 0.15 116.97 121.22 2g80 h TYR 43 Ca 0.52 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.38 2g80 h TYR 43 Cb 0.62 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 2g80 h TYR 43 CO -0.01 0.25 -0.02 0.35 -1.64 0.00 0.00 178.16 177.10 2g80 h PHE 44 N 0.55 0.26 -0.34 -3.82 3.57 -0.88 -2.95 116.94 113.33 2g80 h PHE 44 Ca 0.25 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 2g80 h PHE 44 Cb 0.16 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2g80 h PHE 44 CO -0.10 0.50 -0.16 1.79 -2.23 0.00 0.00 178.31 178.11 2g80 h THR 45 N -0.05 1.25 0.00 4.41 1.35 -0.76 -2.38 112.91 116.73 2g80 h THR 45 Ca 0.03 -1.17 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 2g80 h THR 45 Cb 0.41 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 2g80 h THR 45 CO 0.01 0.39 -0.20 0.78 -0.25 0.00 0.00 175.52 176.25 2g80 h ASN 46 N 0.56 0.00 1.60 5.36 2.35 -1.01 -3.03 115.58 121.40 2g80 h ASN 46 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2g80 h ASN 46 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 2g80 h ASN 46 CO 0.04 0.20 -0.40 0.11 -1.65 0.00 0.00 177.43 175.72 2g80 h LYS 47 N 0.00 0.00 -0.65 0.81 1.79 -1.25 -3.40 116.57 113.87 2g80 h LYS 47 Ca -0.00 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 2g80 h LYS 47 Cb 0.49 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.04 2g80 h LYS 47 CO 0.03 0.08 0.09 0.28 -1.08 0.00 0.00 179.45 178.84 2g80 h VAL 48 N 0.00 0.54 -0.15 0.50 2.07 -1.34 -1.60 116.25 116.27 2g80 h VAL 48 Ca -0.01 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2g80 h VAL 48 Cb 1.08 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2g80 h VAL 48 CO 0.01 0.04 0.08 -0.65 0.02 0.00 0.00 177.57 177.07 2g80 h PRO 49 N 0.20 0.20 -0.07 1.57 0.11 -1.78 -2.59 132.00 129.63 2g80 h PRO 49 Ca 0.35 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.31 2g80 h PRO 49 Cb 0.56 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.64 2g80 h PRO 49 CO -0.49 0.15 -0.46 1.96 -0.21 0.00 0.00 178.00 178.95 2g80 h GLN 50 N 0.20 0.45 -0.56 1.05 7.50 -1.60 -3.36 115.11 118.79 2g80 h GLN 50 Ca 0.05 -0.38 0.03 0.00 0.50 0.00 0.00 58.65 58.86 2g80 h GLN 50 Cb 0.00 0.08 -0.04 0.00 0.05 0.00 0.00 27.48 27.58 2g80 h GLN 50 CO -0.01 1.02 0.32 -0.07 -1.50 0.00 0.00 178.83 178.59 2g80 h LEU 51 N -0.01 0.50 -2.26 1.46 3.38 -1.02 -2.62 115.31 114.75 2g80 h LEU 51 Ca -0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2g80 h LEU 51 Cb 1.12 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2g80 h LEU 51 CO 0.09 0.35 -0.03 -0.37 0.09 0.00 0.00 178.44 178.58 2g80 h VAL 52 N 0.63 0.14 -0.60 1.22 -1.51 -1.62 -2.20 116.25 112.31 2g80 h VAL 52 Ca 0.23 -0.28 -0.07 0.00 -1.23 0.00 0.00 66.70 65.35 2g80 h VAL 52 Cb 0.07 1.24 -0.03 0.00 -2.13 0.00 0.00 31.29 30.44 2g80 h VAL 52 CO -0.12 0.03 0.09 1.56 -1.23 0.00 0.00 177.57 177.89 2g80 h GLN 53 N 0.00 0.98 -6.04 5.19 4.20 -1.61 -3.40 115.11 114.44 2g80 h GLN 53 Ca -0.00 -0.25 -0.53 0.00 0.06 0.00 0.00 58.65 57.93 2g80 h GLN 53 Cb 0.24 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 27.81 2g80 h GLN 53 CO 0.00 0.91 1.32 -1.14 -0.67 0.00 0.00 178.83 179.25 2g80 s GLN 54 N -5.15 3.34 -0.20 1.46 2.00 -0.83 -4.75 119.66 115.53 2g80 s GLN 54 Ca -0.11 -0.88 0.15 0.00 -2.00 0.00 0.00 55.36 52.52 2g80 s GLN 54 Cb 0.15 -5.22 0.47 0.00 0.80 0.00 0.00 33.01 29.21 2g80 s GLN 54 CO 0.83 -2.46 1.37 -0.40 -0.50 0.00 0.00 175.29 174.14 2g80 n ASP 55 N 10.03 3.13 -4.71 6.67 5.75 -1.26 -3.92 116.55 132.23 2g80 n ASP 55 Ca 0.33 -3.27 -0.42 0.00 -0.01 0.00 0.00 54.79 51.42 2g80 n ASP 55 Cb 0.50 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 2g80 n ASP 55 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2g80 s THR 56 N -2.97 4.80 0.01 2.12 2.01 -1.26 -4.96 115.64 115.40 2g80 s THR 56 Ca 0.41 2.05 -0.38 0.00 0.31 0.00 0.00 61.69 64.08 2g80 s THR 56 Cb 0.35 -4.31 -0.17 0.00 0.01 0.00 0.00 72.50 68.37 2g80 s THR 56 CO 0.05 0.18 1.38 0.54 -0.69 0.00 0.00 174.62 176.07 2g80 n ARG 57 N 3.75 0.99 -1.10 4.92 3.00 -1.26 -1.93 116.66 125.04 2g80 n ARG 57 Ca 0.06 0.36 -0.03 0.00 -0.01 0.00 0.00 57.85 58.22 2g80 n ARG 57 Cb 0.51 -1.99 -0.01 0.00 0.00 0.00 0.00 32.46 30.96 2g80 n ARG 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2g80 n ASP 58 N 2.87 -4.56 -4.77 0.55 8.00 -1.26 -5.03 116.55 112.36 2g80 n ASP 58 Ca 0.20 0.08 -0.39 0.00 0.71 0.00 0.00 54.79 55.40 2g80 n ASP 58 Cb 0.16 -2.36 -0.03 0.00 -0.02 0.00 0.00 41.12 38.87 2g80 n ASP 58 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2g80 s SER 59 N -2.26 6.87 0.26 -2.24 0.01 -0.81 -4.90 113.70 110.63 2g80 s SER 59 Ca 0.00 2.25 -0.01 0.00 1.31 0.00 0.00 55.95 59.49 2g80 s SER 59 Cb 0.00 -2.61 0.47 0.00 0.21 0.00 0.00 66.02 64.09 2g80 s SER 59 CO 0.00 -0.43 1.83 -0.65 0.41 0.00 0.00 173.24 174.41 2g80 h PRO 60 N 3.05 0.92 0.13 12.44 0.11 -1.95 0.82 132.00 147.52 2g80 h PRO 60 Ca -0.48 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2g80 h PRO 60 Cb 1.22 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2g80 h PRO 60 CO 0.64 0.61 -0.06 0.28 -0.21 0.00 0.00 178.00 179.26 2g80 h VAL 61 N 0.95 0.98 -0.82 3.15 2.07 -1.93 -2.78 116.25 117.88 2g80 h VAL 61 Ca 0.45 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2g80 h VAL 61 Cb 0.39 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2g80 h VAL 61 CO -0.24 0.11 0.53 -1.28 0.02 0.00 0.00 177.57 176.72 2g80 h SER 62 N -0.41 0.80 -0.78 0.57 0.87 -1.60 -0.26 113.55 112.74 2g80 h SER 62 Ca -0.02 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2g80 h SER 62 Cb 0.33 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 2g80 h SER 62 CO 0.03 0.52 0.33 0.78 -0.53 0.00 0.00 176.83 177.96 2g80 h ASN 63 N 0.91 1.06 -0.04 6.23 2.35 -0.77 -0.83 115.58 124.50 2g80 h ASN 63 Ca 0.35 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2g80 h ASN 63 Cb 0.21 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2g80 h ASN 63 CO -0.12 0.93 -0.03 0.40 -1.65 0.00 0.00 177.43 176.96 2g80 h ILE 64 N 1.13 1.36 -0.37 2.81 2.04 -1.12 -3.32 117.51 120.04 2g80 h ILE 64 Ca 0.26 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 2g80 h ILE 64 Cb 0.18 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2g80 h ILE 64 CO -0.03 0.30 0.14 -0.07 0.00 0.00 0.00 178.15 178.49 2g80 h LEU 65 N -0.35 0.47 -1.97 1.44 3.38 -1.00 -2.57 115.31 114.72 2g80 h LEU 65 Ca 0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2g80 h LEU 65 Cb 0.50 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2g80 h LEU 65 CO 0.01 0.44 -0.10 0.77 0.09 0.00 0.00 178.44 179.64 2g80 h SER 66 N 0.52 0.00 0.51 -0.43 4.64 -1.24 -2.57 113.55 114.98 2g80 h SER 66 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2g80 h SER 66 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2g80 h SER 66 CO -0.01 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2g80 n GLN 67 N -4.02 0.07 0.22 4.77 6.02 -0.97 -1.37 117.38 122.11 2g80 n GLN 67 Ca -0.02 0.34 0.11 0.00 -0.01 0.00 0.00 57.00 57.42 2g80 n GLN 67 Cb 0.19 -1.64 0.33 0.00 1.02 0.00 0.00 30.24 30.14 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 -5.14 1.08 0.04 -1.62 -3.49 116.94 107.81 2g80 h PHE 68 Ca 0.00 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.37 2g80 h PHE 68 Cb 0.26 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.51 2g80 h PHE 68 CO 0.00 0.14 -0.64 0.72 -0.60 0.00 0.00 178.31 177.93 2g80 n HIS 69 N -3.19 -2.44 -3.94 -0.55 8.25 -0.47 -5.01 115.22 107.88 2g80 n HIS 69 Ca 0.02 0.78 -0.30 0.00 -0.26 0.00 0.00 57.72 57.96 2g80 n HIS 69 Cb 0.49 -4.74 -0.16 0.00 1.12 0.00 0.00 29.99 26.70 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 -3.25 1.51 -0.02 1.59 1.01 -1.26 -5.05 121.20 115.74 2g80 s ILE 70 Ca 0.45 -1.14 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 2g80 s ILE 70 Cb -0.20 -1.74 -0.24 0.00 0.01 0.00 0.00 42.46 40.29 2g80 s ILE 70 CO 0.56 -0.05 1.06 0.44 0.00 0.00 0.00 174.94 176.96 2g80 h ASP 71 N 7.97 0.43 -2.46 3.58 3.32 -1.97 -3.45 116.42 123.84 2g80 h ASP 71 Ca -0.20 -0.78 -0.53 0.00 0.02 0.00 0.00 57.03 55.54 2g80 h ASP 71 Cb 1.08 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.51 2g80 h ASP 71 CO 0.42 1.16 1.17 0.21 -1.72 0.00 0.00 179.24 180.48 2g80 s ASN 72 N -6.63 6.51 0.33 6.45 3.84 -1.26 -4.92 114.94 119.26 2g80 s ASN 72 Ca -0.14 2.56 0.07 0.00 0.21 0.00 0.00 52.86 55.56 2g80 s ASN 72 Cb 0.02 -2.54 0.59 0.00 -0.55 0.00 0.00 41.25 38.78 2g80 s ASN 72 CO 0.80 -1.01 1.80 0.11 -2.79 0.00 0.00 177.10 176.01 2g80 h LYS 73 N 10.01 0.30 -0.15 0.43 1.57 -1.91 -1.59 116.57 125.22 2g80 h LYS 73 Ca -0.46 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.07 2g80 h LYS 73 Cb 1.22 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2g80 h LYS 73 CO 0.94 0.53 -0.47 0.93 -0.57 0.00 0.00 179.45 180.81 2g80 h GLU 74 N 0.27 0.59 -0.60 3.15 5.08 -1.97 -1.69 114.58 119.42 2g80 h GLU 74 Ca 0.04 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 2g80 h GLU 74 Cb 0.58 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2g80 h GLU 74 CO 0.04 1.05 0.19 1.96 -1.00 0.00 0.00 179.01 181.25 2g80 h GLN 75 N 0.24 0.89 -0.25 2.33 4.20 -1.94 -1.08 115.11 119.50 2g80 h GLN 75 Ca -0.01 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.45 2g80 h GLN 75 Cb 1.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 2g80 h GLN 75 CO 0.10 0.76 -0.17 1.25 -0.67 0.00 0.00 178.83 180.11 2g80 h LEU 76 N 0.87 0.58 0.19 1.46 5.85 -1.27 0.44 115.31 123.43 2g80 h LEU 76 Ca 0.20 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2g80 h LEU 76 Cb 0.24 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2g80 h LEU 76 CO -0.01 0.89 -0.09 -0.61 -0.34 0.00 0.00 178.44 178.28 2g80 h GLN 77 N 0.28 -0.24 -1.00 1.25 4.15 -1.22 -1.27 115.11 117.05 2g80 h GLN 77 Ca 0.05 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.55 2g80 h GLN 77 Cb 0.69 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.37 2g80 h GLN 77 CO 0.05 -0.16 0.65 0.00 -1.93 0.00 0.00 178.83 177.44 2g80 h ALA 78 N 0.56 1.38 -0.39 3.38 0.00 -1.17 -1.94 119.26 121.09 2g80 h ALA 78 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2g80 h ALA 78 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2g80 h ALA 78 CO 0.04 0.45 0.14 1.25 0.00 0.00 0.00 179.25 181.13 2g80 h HIS 79 N 1.18 0.60 -0.70 0.00 -0.00 -0.62 -0.17 115.15 115.43 2g80 h HIS 79 Ca 0.43 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.68 2g80 h HIS 79 Cb 0.16 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 2g80 h HIS 79 CO -0.00 0.55 0.19 0.82 -0.00 0.00 0.00 177.93 179.49 2g80 h ILE 80 N 0.48 1.26 -0.29 6.26 2.04 -0.88 -0.67 117.51 125.70 2g80 h ILE 80 Ca 0.13 -0.94 -0.13 0.00 1.00 0.00 0.00 64.86 64.92 2g80 h ILE 80 Cb 0.22 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2g80 h ILE 80 CO -0.01 0.36 -0.35 -0.07 0.00 0.00 0.00 178.15 178.09 2g80 h LEU 81 N 1.05 0.68 -0.25 1.44 3.38 -1.22 -2.28 115.31 118.10 2g80 h LEU 81 Ca 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2g80 h LEU 81 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2g80 h LEU 81 CO -0.00 0.97 0.07 -0.08 0.09 0.00 0.00 178.44 179.49 2g80 h GLU 82 N 0.54 0.40 -0.43 1.13 4.81 -0.75 0.93 114.58 121.21 2g80 h GLU 82 Ca 0.06 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2g80 h GLU 82 Cb 0.86 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 2g80 h GLU 82 CO 0.07 0.48 0.07 -0.07 -0.73 0.00 0.00 179.01 178.84 2g80 h LEU 83 N 0.24 -0.02 -0.23 1.64 3.38 -1.02 0.79 115.31 120.09 2g80 h LEU 83 Ca 0.08 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2g80 h LEU 83 Cb 0.26 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2g80 h LEU 83 CO -0.00 0.02 -0.01 0.58 0.09 0.00 0.00 178.44 179.12 2g80 h VAL 84 N 0.20 1.26 -0.32 1.22 2.07 -1.24 0.19 116.25 119.63 2g80 h VAL 84 Ca 0.21 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 2g80 h VAL 84 Cb 0.28 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2g80 h VAL 84 CO -0.29 0.29 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 2g80 h ALA 85 N 0.79 1.21 -0.15 1.67 0.00 -0.59 -2.62 119.26 119.57 2g80 h ALA 85 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2g80 h ALA 85 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2g80 h ALA 85 CO 0.01 0.51 0.00 1.63 0.00 0.00 0.00 179.25 181.40 2g80 n LYS 86 N -4.20 1.78 -3.71 0.00 5.02 0.25 -4.96 118.16 112.34 2g80 n LYS 86 Ca 0.01 -1.17 -0.24 0.00 -2.02 0.00 0.00 58.31 54.89 2g80 n LYS 86 Cb 0.32 -1.42 0.04 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.40 -2.92 -4.60 4.39 2.03 -0.71 -4.94 116.55 110.20 2g80 n ASP 87 Ca 0.17 -0.75 -0.42 0.00 0.52 0.00 0.00 54.79 54.30 2g80 n ASP 87 Cb 0.36 -4.26 -0.04 0.00 -0.72 0.00 0.00 41.12 36.45 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 -3.48 4.65 -0.45 5.18 1.01 0.59 -5.00 120.40 122.89 2g80 s VAL 88 Ca 0.26 1.13 -0.28 0.00 0.00 0.00 0.00 61.98 63.09 2g80 s VAL 88 Cb -0.13 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2g80 s VAL 88 CO 0.80 -0.46 1.66 -1.59 0.00 0.00 0.00 175.10 175.50 2g80 s LYS 89 N 3.30 3.22 -0.05 2.72 -2.85 -1.26 -4.76 119.74 120.05 2g80 s LYS 89 Ca 0.36 0.96 0.04 0.00 -1.00 0.00 0.00 55.97 56.32 2g80 s LYS 89 Cb -0.13 -4.19 0.00 0.00 -2.06 0.00 0.00 37.83 31.45 2g80 s LYS 89 CO 0.17 -2.01 -0.17 0.34 0.10 0.00 0.00 175.35 173.78 2g80 s ASP 90 N 5.78 2.17 0.40 0.03 -1.08 -1.26 -5.05 116.67 117.65 2g80 s ASP 90 Ca 0.68 -0.36 0.17 0.00 -0.52 0.00 0.00 52.55 52.51 2g80 s ASP 90 Cb -0.16 -0.74 0.83 0.00 -1.46 0.00 0.00 42.92 41.38 2g80 s ASP 90 CO 0.29 0.13 1.84 1.55 0.52 0.00 0.00 175.17 179.49 2g80 h PRO 91 N 6.47 0.00 0.03 4.34 0.13 -1.99 -1.84 132.00 139.15 2g80 h PRO 91 Ca -0.31 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.56 2g80 h PRO 91 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 2g80 h PRO 91 CO 0.48 0.34 -1.08 0.82 -0.23 0.00 0.00 178.00 178.32 2g80 h ILE 92 N 0.00 1.31 -0.44 -3.56 1.08 -1.96 -2.09 117.51 111.85 2g80 h ILE 92 Ca -0.00 -2.37 -0.01 0.00 -0.39 0.00 0.00 64.86 62.09 2g80 h ILE 92 Cb 0.67 2.48 -0.02 0.00 -3.07 0.00 0.00 36.82 36.89 2g80 h ILE 92 CO 0.04 0.72 0.25 0.25 -0.69 0.00 0.00 178.15 178.72 2g80 h LEU 93 N 0.32 0.55 -1.22 1.44 5.85 -1.93 -0.45 115.31 119.88 2g80 h LEU 93 Ca -0.13 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 2g80 h LEU 93 Cb 1.74 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 2g80 h LEU 93 CO 0.20 0.48 0.15 0.11 -0.34 0.00 0.00 178.44 179.04 2g80 h LYS 94 N 0.58 0.69 -0.45 1.25 1.57 -1.35 0.30 116.57 119.15 2g80 h LYS 94 Ca 0.16 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 2g80 h LYS 94 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2g80 h LYS 94 CO -0.03 0.60 -0.08 0.37 -0.57 0.00 0.00 179.45 179.75 2g80 h GLN 95 N 0.68 0.86 -0.23 3.15 4.15 -1.15 -0.59 115.11 121.97 2g80 h GLN 95 Ca 0.16 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 2g80 h GLN 95 Cb 0.20 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2g80 h GLN 95 CO -0.01 0.94 0.03 1.25 -1.93 0.00 0.00 178.83 179.12 2g80 h LEU 96 N 0.69 0.37 -0.50 -2.39 5.85 -0.50 -1.68 115.31 117.15 2g80 h LEU 96 Ca 0.12 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2g80 h LEU 96 Cb 0.61 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2g80 h LEU 96 CO 0.04 0.54 0.31 1.56 -0.34 0.00 0.00 178.44 180.56 2g80 h GLN 97 N 0.18 0.67 -0.86 1.25 4.20 -0.44 -0.45 115.11 119.65 2g80 h GLN 97 Ca 0.07 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.76 2g80 h GLN 97 Cb 0.34 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 2g80 h GLN 97 CO 0.01 0.47 0.55 0.78 -0.67 0.00 0.00 178.83 179.97 2g80 h GLY 98 N 0.67 1.25 0.78 3.46 0.00 -1.07 0.13 103.07 108.29 2g80 h GLY 98 Ca 0.18 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2g80 h GLY 98 CO -0.04 0.36 -0.02 -1.82 0.00 0.00 0.00 176.54 175.03 2g80 h TYR 99 N 1.08 0.32 -0.25 5.60 3.20 -0.97 -0.51 116.97 125.43 2g80 h TYR 99 Ca 0.34 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 2g80 h TYR 99 Cb 0.01 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2g80 h TYR 99 CO -0.02 0.53 -0.02 0.28 -1.64 0.00 0.00 178.16 177.30 2g80 h VAL 100 N 0.01 1.26 -0.65 1.81 2.07 -0.91 -2.51 116.25 117.34 2g80 h VAL 100 Ca 0.04 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2g80 h VAL 100 Cb 0.42 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2g80 h VAL 100 CO 0.01 0.30 0.36 -0.50 0.02 0.00 0.00 177.57 177.76 2g80 h TRP 101 N 0.22 0.89 -0.48 1.57 6.55 -0.77 -2.26 115.95 121.68 2g80 h TRP 101 Ca 0.07 -0.02 0.04 0.00 0.95 0.00 0.00 58.89 59.93 2g80 h TRP 101 Cb 0.44 -0.28 -0.04 0.00 -0.86 0.00 0.00 29.16 28.42 2g80 h TRP 101 CO 0.04 0.63 0.24 0.00 -1.05 0.00 0.00 178.44 178.30 2g80 h ALA 102 N 1.18 0.60 -0.59 1.49 0.00 -1.03 -0.96 119.26 119.94 2g80 h ALA 102 Ca 0.23 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2g80 h ALA 102 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2g80 h ALA 102 CO -0.04 -0.10 0.08 1.25 0.00 0.00 0.00 179.25 180.44 2g80 h HIS 103 N 0.48 1.05 -0.43 0.00 -0.00 -1.33 -1.35 115.15 113.58 2g80 h HIS 103 Ca 0.21 -0.15 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2g80 h HIS 103 Cb 0.10 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 2g80 h HIS 103 CO -0.10 0.92 0.26 0.78 -0.00 0.00 0.00 177.93 179.79 2g80 h GLY 104 N 0.88 0.62 0.98 5.26 0.00 -1.07 -0.03 103.07 109.71 2g80 h GLY 104 Ca 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2g80 h GLY 104 CO 0.01 0.25 -0.19 -0.97 0.00 0.00 0.00 176.54 175.64 2g80 h TYR 105 N 0.57 -0.50 -0.70 5.60 0.05 -1.08 0.34 116.97 121.25 2g80 h TYR 105 Ca 0.15 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 2g80 h TYR 105 Cb -0.01 0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 2g80 h TYR 105 CO -0.03 -0.31 0.32 0.93 -1.05 0.00 0.00 178.16 178.02 2g80 h GLU 106 N -0.52 1.00 -0.14 4.88 5.08 -1.14 -2.02 114.58 121.72 2g80 h GLU 106 Ca -0.05 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2g80 h GLU 106 Cb 0.41 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2g80 h GLU 106 CO 0.07 0.78 0.00 -1.13 -1.00 0.00 0.00 179.01 177.73 2g80 n SER 107 N -4.33 1.07 -0.81 1.42 3.41 -0.03 -4.94 113.62 109.41 2g80 n SER 107 Ca 0.07 -1.71 -0.08 0.00 -0.26 0.00 0.00 58.87 56.88 2g80 n SER 107 Cb 0.14 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.96 0.50 0.10 5.00 0.00 -0.76 -4.93 105.19 106.07 2g80 n GLY 108 Ca 0.13 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.63 2g80 n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2g80 n GLN 109 N -2.26 0.61 -4.08 1.61 6.02 0.12 -4.89 117.38 114.51 2g80 n GLN 109 Ca -0.09 0.14 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 2g80 n GLN 109 Cb 0.43 -1.81 -0.11 0.00 1.02 0.00 0.00 30.24 29.78 2g80 n GLN 109 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2g80 s ILE 110 N -3.23 0.44 -0.01 5.09 -4.36 -1.07 -4.97 121.20 113.09 2g80 s ILE 110 Ca -0.02 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 2g80 s ILE 110 Cb 0.09 -0.95 0.02 0.00 1.25 0.00 0.00 42.46 42.88 2g80 s ILE 110 CO 0.80 -0.62 0.02 -0.54 0.24 0.00 0.00 174.94 174.84 2g80 s LYS 111 N -2.48 -0.01 -0.31 0.37 -0.14 -1.26 -4.31 119.74 111.61 2g80 s LYS 111 Ca -0.03 0.12 -0.29 0.00 -1.36 0.00 0.00 55.97 54.41 2g80 s LYS 111 Cb -0.03 -0.19 0.00 0.00 -1.68 0.00 0.00 37.83 35.93 2g80 s LYS 111 CO -0.03 -0.11 1.27 0.00 -0.76 0.00 0.00 175.35 175.72 2g80 s ALA 112 N 0.74 3.37 -0.41 5.17 0.00 0.22 -4.62 121.76 126.24 2g80 s ALA 112 Ca -0.06 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.68 2g80 s ALA 112 Cb -0.09 -3.77 0.02 0.00 0.00 0.00 0.00 23.12 19.28 2g80 s ALA 112 CO -0.02 -1.75 1.17 -1.25 0.00 0.00 0.00 175.76 173.90 2g80 s PRO 113 N 4.12 3.82 -0.09 0.00 0.04 -1.26 -0.40 135.00 141.23 2g80 s PRO 113 Ca 0.55 0.82 0.01 0.00 0.04 0.00 0.00 61.00 62.42 2g80 s PRO 113 Cb -0.16 -3.87 -0.02 0.00 0.04 0.00 0.00 34.50 30.49 2g80 s PRO 113 CO 0.22 -1.24 -0.12 0.08 0.04 0.00 0.00 177.00 175.98 2g80 s VAL 114 N 4.33 3.18 0.40 -0.36 1.01 -1.26 -4.07 120.40 123.62 2g80 s VAL 114 Ca 0.50 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 2g80 s VAL 114 Cb -0.10 -2.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 2g80 s VAL 114 CO 0.26 0.56 1.45 -1.22 0.00 0.00 0.00 175.10 176.16 2g80 n TYR 115 N 2.85 2.84 -0.29 5.22 4.01 -0.45 -4.76 117.16 126.58 2g80 n TYR 115 Ca -0.18 0.45 0.04 0.00 -0.16 0.00 0.00 57.90 58.06 2g80 n TYR 115 Cb 0.52 -2.50 0.18 0.00 -0.31 0.00 0.00 39.34 37.24 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 2.71 1.20 0.00 -0.72 0.00 -1.98 0.12 119.26 120.60 2g80 h ALA 116 Ca -0.50 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2g80 h ALA 116 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2g80 h ALA 116 CO 0.63 0.03 -0.40 0.38 0.00 0.00 0.00 179.25 179.88 2g80 h ASP 117 N 0.73 0.00 -0.15 0.00 2.03 -1.98 -0.46 116.42 116.58 2g80 h ASP 117 Ca 0.42 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.53 2g80 h ASP 117 Cb 0.46 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.97 2g80 h ASP 117 CO -0.29 0.40 -0.63 0.00 -1.03 0.00 0.00 179.24 177.69 2g80 h ALA 118 N 1.60 0.28 -0.10 4.15 0.00 -1.33 -1.01 119.26 122.85 2g80 h ALA 118 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.37 2g80 h ALA 118 Cb 0.79 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2g80 h ALA 118 CO 0.05 0.56 0.03 0.82 0.00 0.00 0.00 179.25 180.71 2g80 h ILE 119 N 0.39 0.98 -0.96 0.00 2.04 -0.65 -0.07 117.51 119.23 2g80 h ILE 119 Ca -0.04 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2g80 h ILE 119 Cb 1.27 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 2g80 h ILE 119 CO 0.13 0.01 0.61 0.44 0.00 0.00 0.00 178.15 179.35 2g80 h ASP 120 N 0.08 1.13 0.01 1.72 3.32 -1.13 -0.88 116.42 120.67 2g80 h ASP 120 Ca 0.04 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2g80 h ASP 120 Cb 0.02 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.29 2g80 h ASP 120 CO -0.04 0.85 -0.01 0.15 -1.72 0.00 0.00 179.24 178.47 2g80 h PHE 121 N 1.32 -0.01 -0.72 4.55 3.04 -0.89 -2.45 116.94 121.76 2g80 h PHE 121 Ca 0.35 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 2g80 h PHE 121 Cb -0.10 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 2g80 h PHE 121 CO 0.00 0.13 0.40 0.82 -2.02 0.00 0.00 178.31 177.64 2g80 h ILE 122 N -0.16 1.22 0.00 1.41 2.04 -0.80 -2.36 117.51 118.85 2g80 h ILE 122 Ca -0.00 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 2g80 h ILE 122 Cb 0.15 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2g80 h ILE 122 CO 0.00 0.24 -0.23 0.11 0.00 0.00 0.00 178.15 178.28 2g80 h LYS 123 N 1.01 0.00 0.00 2.37 1.57 -1.02 -3.35 116.57 117.15 2g80 h LYS 123 Ca 0.26 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.66 2g80 h LYS 123 Cb 0.02 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 2g80 h LYS 123 CO -0.04 0.23 -2.42 2.89 -0.57 0.00 0.00 179.45 179.54 2g80 n ARG 124 N -3.45 0.67 -2.23 3.15 1.85 -0.94 -5.01 116.66 110.71 2g80 n ARG 124 Ca -0.00 0.08 -0.39 0.00 -1.00 0.00 0.00 57.85 56.54 2g80 n ARG 124 Cb 0.41 -1.53 -0.02 0.00 -1.05 0.00 0.00 32.46 30.27 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 -2.51 4.11 0.07 2.89 -0.14 -0.91 -4.97 119.74 118.27 2g80 s LYS 125 Ca -0.23 1.96 -0.18 0.00 -1.36 0.00 0.00 55.97 56.16 2g80 s LYS 125 Cb 0.08 -2.78 -0.11 0.00 -1.68 0.00 0.00 37.83 33.33 2g80 s LYS 125 CO 0.71 -0.31 1.39 0.87 -0.76 0.00 0.00 175.35 177.26 2g80 h LYS 126 N 2.82 0.50 -4.03 1.68 1.79 -1.92 -3.42 116.57 114.00 2g80 h LYS 126 Ca -0.49 -0.25 -0.60 0.00 -2.18 0.00 0.00 60.65 57.13 2g80 h LYS 126 Cb 1.23 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.49 2g80 h LYS 126 CO 0.63 0.82 -0.76 1.03 -1.08 0.00 0.00 179.45 180.09 2g80 s ARG 127 N -4.41 1.14 -0.12 3.15 1.81 -1.25 -4.98 118.95 114.29 2g80 s ARG 127 Ca -0.13 -1.14 0.03 0.00 -1.72 0.00 0.00 55.73 52.76 2g80 s ARG 127 Cb 0.07 -2.43 0.01 0.00 -0.45 0.00 0.00 34.95 32.14 2g80 s ARG 127 CO 0.78 -0.82 -0.23 0.08 -0.68 0.00 0.00 175.30 174.43 2g80 s VAL 128 N 1.43 2.07 0.05 3.52 1.01 -1.26 -0.91 120.40 126.31 2g80 s VAL 128 Ca 0.04 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.10 2g80 s VAL 128 Cb -0.18 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2g80 s VAL 128 CO -0.14 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 174.94 2g80 s PHE 129 N 0.60 1.83 -0.08 5.22 0.08 0.24 0.09 117.98 125.95 2g80 s PHE 129 Ca -0.12 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.55 2g80 s PHE 129 Cb -0.17 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 2g80 s PHE 129 CO 0.03 0.10 -0.07 0.42 -0.10 0.00 0.00 175.22 175.60 2g80 s ILE 130 N -0.82 3.65 -0.18 0.64 -1.09 -0.58 -0.60 121.20 122.22 2g80 s ILE 130 Ca 0.08 -0.49 -0.02 0.00 -2.23 0.00 0.00 60.65 57.99 2g80 s ILE 130 Cb -0.09 -2.51 0.05 0.00 -1.58 0.00 0.00 42.46 38.34 2g80 s ILE 130 CO 0.02 0.58 0.02 -0.47 -1.23 0.00 0.00 174.94 173.86 2g80 s TYR 131 N -0.57 1.13 0.11 3.97 5.04 -0.04 -0.12 117.35 126.87 2g80 s TYR 131 Ca 0.09 -0.85 -0.00 0.00 -2.44 0.00 0.00 57.07 53.87 2g80 s TYR 131 Cb -0.12 -1.06 -0.04 0.00 0.35 0.00 0.00 41.96 41.09 2g80 s TYR 131 CO 0.02 -0.58 0.01 0.45 -1.34 0.00 0.00 175.55 174.10 2g80 s SER 132 N 1.82 0.60 0.31 4.32 0.15 -1.05 -4.13 113.70 115.73 2g80 s SER 132 Ca -0.00 -1.11 0.14 0.00 0.70 0.00 0.00 55.95 55.68 2g80 s SER 132 Cb -0.16 0.21 0.46 0.00 -1.71 0.00 0.00 66.02 64.82 2g80 s SER 132 CO -0.07 -0.63 1.64 0.77 1.20 0.00 0.00 173.24 176.14 2g80 h SER 133 N 2.94 0.00 -4.04 5.45 4.64 -1.97 -3.36 113.55 117.22 2g80 h SER 133 Ca -0.35 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.46 2g80 h SER 133 Cb 1.18 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.33 2g80 h SER 133 CO 0.62 0.52 0.46 -0.83 -0.87 0.00 0.00 176.83 176.74 2g80 s GLY 134 N -4.43 2.72 0.83 -0.77 0.00 -1.26 -4.65 107.32 99.77 2g80 s GLY 134 Ca -0.00 0.90 -0.12 0.00 0.00 0.00 0.00 44.72 45.50 2g80 s GLY 134 CO 0.73 1.31 1.16 -1.35 0.00 0.00 0.00 173.10 174.95 2g80 s SER 135 N -1.52 3.55 0.23 1.64 1.04 -1.26 -4.74 113.70 112.65 2g80 s SER 135 Ca 0.67 2.20 -0.06 0.00 0.48 0.00 0.00 55.95 59.24 2g80 s SER 135 Cb -0.27 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 63.66 2g80 s SER 135 CO 0.32 -2.68 1.74 0.58 0.98 0.00 0.00 173.24 174.17 2g80 h VAL 136 N -1.25 0.73 -0.34 5.02 2.07 -1.94 0.38 116.25 120.92 2g80 h VAL 136 Ca -0.45 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 66.97 2g80 h VAL 136 Cb 1.27 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 2g80 h VAL 136 CO 0.46 0.08 0.03 0.50 0.02 0.00 0.00 177.57 178.66 2g80 h LYS 137 N 0.46 0.13 -0.64 1.57 3.11 -1.99 -0.62 116.57 118.58 2g80 h LYS 137 Ca 0.37 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 58.16 2g80 h LYS 137 Cb 0.49 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.67 2g80 h LYS 137 CO -0.35 0.08 0.23 0.00 -2.81 0.00 0.00 179.45 176.60 2g80 h ALA 138 N 1.28 1.21 -0.06 5.00 0.00 -1.64 -2.59 119.26 122.46 2g80 h ALA 138 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2g80 h ALA 138 Cb 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2g80 h ALA 138 CO -0.25 0.57 0.00 1.96 0.00 0.00 0.00 179.25 181.53 2g80 h GLN 139 N 0.92 0.11 -0.16 0.00 4.20 -0.48 -2.04 115.11 117.66 2g80 h GLN 139 Ca 0.21 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.90 2g80 h GLN 139 Cb 0.22 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2g80 h GLN 139 CO -0.01 0.36 0.11 0.87 -0.67 0.00 0.00 178.83 179.48 2g80 h LYS 140 N -0.16 0.16 -0.02 1.46 1.57 -1.09 -1.07 116.57 117.43 2g80 h LYS 140 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2g80 h LYS 140 Cb 0.31 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2g80 h LYS 140 CO 0.00 0.11 -0.03 1.25 -0.57 0.00 0.00 179.45 180.21 2g80 h LEU 141 N 0.17 0.06 -0.19 2.94 5.85 -1.37 -2.12 115.31 120.65 2g80 h LEU 141 Ca 0.06 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.31 2g80 h LEU 141 Cb 0.05 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2g80 h LEU 141 CO -0.01 0.57 -0.08 0.25 -0.34 0.00 0.00 178.44 178.82 2g80 h LEU 142 N -0.45 -0.28 0.00 2.25 6.46 -0.77 -2.25 115.31 120.27 2g80 h LEU 142 Ca 0.00 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2g80 h LEU 142 Cb 0.55 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2g80 h LEU 142 CO 0.01 -0.11 0.00 0.49 -0.62 0.00 0.00 178.44 178.21 2g80 n PHE 143 N -5.23 0.00 0.38 1.25 3.72 -0.46 -2.54 117.46 114.58 2g80 n PHE 143 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 2g80 n PHE 143 Cb 0.16 -0.49 0.23 0.00 -0.94 0.00 0.00 39.48 38.44 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 3.61 0.00 -5.80 1.37 0.00 -0.76 0.44 103.07 101.93 2g80 h GLY 144 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 2g80 h GLY 144 CO 0.00 0.00 -1.16 -1.72 0.00 0.00 0.00 176.54 173.66 2g80 n TYR 145 N -2.67 0.60 -2.83 5.60 4.01 -1.05 -3.96 117.16 116.85 2g80 n TYR 145 Ca 0.04 -3.68 -0.40 0.00 -0.16 0.00 0.00 57.90 53.69 2g80 n TYR 145 Cb 0.49 -0.42 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 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 -2.69 4.52 0.23 -0.72 1.01 0.10 -0.61 120.40 122.24 2g80 s VAL 146 Ca 0.39 1.90 -0.31 0.00 0.00 0.00 0.00 61.98 63.96 2g80 s VAL 146 Cb 0.36 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2g80 s VAL 146 CO -0.07 0.37 1.62 -1.58 0.00 0.00 0.00 175.10 175.44 2g80 s GLN 147 N -0.24 4.16 -0.30 2.72 0.74 0.46 0.58 119.66 127.78 2g80 s GLN 147 Ca 0.43 2.52 -0.28 0.00 0.05 0.00 0.00 55.36 58.07 2g80 s GLN 147 Cb -0.23 -3.08 0.01 0.00 1.10 0.00 0.00 33.01 30.82 2g80 s GLN 147 CO 0.28 -0.65 1.04 0.34 -0.55 0.00 0.00 175.29 175.74 2g80 s ASP 148 N 0.89 6.94 0.54 6.67 -1.08 -1.26 -4.67 116.67 124.70 2g80 s ASP 148 Ca 0.69 1.08 0.21 0.00 -0.52 0.00 0.00 52.55 54.01 2g80 s ASP 148 Cb -0.47 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 39.91 2g80 s ASP 148 CO 0.38 -0.81 2.17 -0.65 0.52 0.00 0.00 175.17 176.77 2g80 h PRO 149 N 7.97 0.00 0.00 4.34 0.11 -1.92 -0.72 132.00 141.77 2g80 h PRO 149 Ca -0.21 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.83 2g80 h PRO 149 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2g80 h PRO 149 CO 1.01 0.02 -0.36 -0.91 -0.21 0.00 0.00 178.00 177.55 2g80 h ASN 150 N 0.00 0.00 -0.28 -2.05 2.35 -2.00 -3.40 115.58 110.19 2g80 h ASN 150 Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 2g80 h ASN 150 Cb 0.04 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.26 2g80 h ASN 150 CO 0.00 0.36 -0.49 0.00 -1.65 0.00 0.00 177.43 175.65 2g80 n ALA 151 N -2.24 -1.54 -0.26 -0.83 0.00 -0.80 -5.07 120.51 109.77 2g80 n ALA 151 Ca 0.01 -1.30 0.07 0.00 0.00 0.00 0.00 53.44 52.22 2g80 n ALA 151 Cb 0.55 -1.38 0.20 0.00 0.00 0.00 0.00 19.45 18.82 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 4.28 0.21 0.00 0.00 0.11 -1.39 -1.41 132.00 133.80 2g80 h PRO 152 Ca -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2g80 h PRO 152 Cb 1.05 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2g80 h PRO 152 CO 0.24 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 2g80 n ALA 153 N -2.74 2.37 -2.01 -0.75 0.00 -1.26 -4.55 120.51 111.58 2g80 n ALA 153 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 2g80 n ALA 153 Cb 0.51 -1.46 0.05 0.00 0.00 0.00 0.00 19.45 18.55 2g80 n ALA 153 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2g80 n HIS 154 N -1.37 -3.49 -1.54 0.00 8.25 -0.53 -5.04 115.22 111.50 2g80 n HIS 154 Ca 0.11 -0.53 -0.42 0.00 -0.26 0.00 0.00 57.72 56.62 2g80 n HIS 154 Cb 0.27 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 -3.08 0.41 -4.68 0.41 8.00 -1.26 -4.83 116.55 111.52 2g80 n ASP 155 Ca 0.06 1.01 -0.29 0.00 0.71 0.00 0.00 54.79 56.27 2g80 n ASP 155 Cb 0.20 -1.25 0.13 0.00 -0.02 0.00 0.00 41.12 40.19 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 -0.81 3.63 0.04 -2.24 1.04 -1.26 -4.38 113.70 109.71 2g80 s SER 156 Ca 0.63 0.79 0.04 0.00 0.48 0.00 0.00 55.95 57.89 2g80 s SER 156 Cb -0.60 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 2g80 s SER 156 CO 0.57 -2.46 -0.07 -0.76 0.98 0.00 0.00 173.24 171.51 2g80 s LEU 157 N -5.92 3.16 -0.38 2.42 1.43 0.20 -4.85 118.68 114.73 2g80 s LEU 157 Ca 0.65 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 2g80 s LEU 157 Cb -0.12 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2g80 s LEU 157 CO 0.52 0.25 0.24 -0.62 0.23 0.00 0.00 176.35 176.97 2g80 s ASP 158 N -1.69 5.88 0.00 2.29 2.15 -1.25 0.03 116.67 124.08 2g80 s ASP 158 Ca 0.19 -0.89 0.24 0.00 0.43 0.00 0.00 52.55 52.52 2g80 s ASP 158 Cb -0.11 -2.08 0.34 0.00 -0.30 0.00 0.00 42.92 40.77 2g80 s ASP 158 CO 0.10 -0.39 1.31 0.18 -0.17 0.00 0.00 175.17 176.21 2g80 n LEU 159 N 5.06 1.78 0.07 -1.34 4.77 0.15 -4.44 117.00 123.06 2g80 n LEU 159 Ca -0.12 -0.61 0.08 0.00 -0.03 0.00 0.00 56.01 55.33 2g80 n LEU 159 Cb 0.47 -0.04 0.53 0.00 -2.33 0.00 0.00 43.42 42.05 2g80 n LEU 159 CO 0.38 0.32 1.14 0.78 -1.33 0.00 0.00 177.39 178.68 2g80 h ASN 160 N 2.31 0.27 0.03 -1.43 2.35 -1.89 -0.91 115.58 116.29 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 0.69 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2g80 h ASN 160 CO 0.00 0.18 0.00 -1.28 -1.65 0.00 0.00 177.43 174.68 2g80 h SER 161 N 0.31 0.00 -0.01 5.81 0.87 -1.92 -2.53 113.55 116.08 2g80 h SER 161 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2g80 h SER 161 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2g80 h SER 161 CO -0.03 0.00 -0.43 -1.22 -0.53 0.00 0.00 176.83 174.62 2g80 n TYR 162 N -2.72 0.00 -3.50 2.24 4.01 -0.35 -4.96 117.16 111.87 2g80 n TYR 162 Ca -0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.35 2g80 n TYR 162 Cb 0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.97 5.25 -0.35 -0.72 -1.09 -0.96 -4.64 121.20 116.71 2g80 s ILE 163 Ca 0.10 0.66 0.23 0.00 -2.23 0.00 0.00 60.65 59.41 2g80 s ILE 163 Cb 0.11 -3.67 0.08 0.00 -1.58 0.00 0.00 42.46 37.40 2g80 s ILE 163 CO 0.44 0.41 1.21 0.44 -1.23 0.00 0.00 174.94 176.22 2g80 h ASP 164 N 6.31 0.00 -4.85 3.58 3.32 -0.65 -3.49 116.42 120.64 2g80 h ASP 164 Ca -0.43 -0.04 0.32 0.00 0.02 0.00 0.00 57.03 56.90 2g80 h ASP 164 Cb 1.18 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.56 2g80 h ASP 164 CO 0.73 0.02 0.91 -0.83 -1.72 0.00 0.00 179.24 178.34 2g80 s GLY 165 N -4.19 -0.33 -0.03 2.75 0.00 -1.21 -5.00 107.32 99.30 2g80 s GLY 165 Ca 0.02 1.38 0.02 0.00 0.00 0.00 0.00 44.72 46.14 2g80 s GLY 165 CO 0.75 0.41 -0.06 -0.19 0.00 0.00 0.00 173.10 174.01 2g80 s TYR 166 N -2.21 0.73 0.08 1.90 1.51 -1.26 -1.53 117.35 116.56 2g80 s TYR 166 Ca 0.12 -0.18 0.07 0.00 -1.01 0.00 0.00 57.07 56.07 2g80 s TYR 166 Cb 0.02 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.27 2g80 s TYR 166 CO -0.04 -0.11 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.05 2g80 s PHE 167 N 0.43 1.52 0.00 2.71 0.08 0.83 -4.95 117.98 118.61 2g80 s PHE 167 Ca -0.06 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.57 2g80 s PHE 167 Cb -0.10 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.49 2g80 s PHE 167 CO 0.00 0.12 0.00 -0.40 -0.10 0.00 0.00 175.22 174.84 2g80 n ASP 168 N 1.35 0.00 -0.04 1.36 5.68 -1.26 -2.54 116.55 121.09 2g80 n ASP 168 Ca -0.20 -0.87 -0.12 0.00 -0.50 0.00 0.00 54.79 53.11 2g80 n ASP 168 Cb 0.54 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.46 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 0.87 1.25 -0.29 2.12 1.08 -1.72 -1.61 117.51 119.20 2g80 h ILE 169 Ca 0.00 -0.80 -0.07 0.00 -0.39 0.00 0.00 64.86 63.60 2g80 h ILE 169 Cb 0.00 1.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 2g80 h ILE 169 CO 0.00 0.24 -0.12 0.78 -0.69 0.00 0.00 178.15 178.35 2g80 h ASN 170 N -0.01 0.48 0.37 1.72 2.35 -1.96 0.31 115.58 118.85 2g80 h ASN 170 Ca 0.04 -0.12 -0.24 0.00 -0.55 0.00 0.00 56.30 55.43 2g80 h ASN 170 Cb 0.35 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2g80 h ASN 170 CO 0.01 0.64 -1.02 0.71 -1.65 0.00 0.00 177.43 176.11 2g80 h THR 171 N 0.46 1.41 0.00 2.81 1.35 -1.96 -3.43 112.91 113.56 2g80 h THR 171 Ca 0.09 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 2g80 h THR 171 Cb 0.49 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 2g80 h THR 171 CO 0.03 0.76 -0.71 -1.20 -0.25 0.00 0.00 175.52 174.15 2g80 n SER 172 N -3.71 3.55 0.00 5.36 7.64 -0.61 -4.95 113.62 120.89 2g80 n SER 172 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2g80 n SER 172 Cb 0.88 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.59 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 2.05 -0.45 3.77 0.23 0.00 0.11 -4.07 105.19 106.83 2g80 n GLY 173 Ca 0.00 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.40 2g80 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g80 s LYS 174 N -0.31 3.83 0.21 1.61 0.00 -1.26 -4.17 119.74 119.65 2g80 s LYS 174 Ca 0.00 1.78 0.23 0.00 0.00 0.00 0.00 55.97 57.99 2g80 s LYS 174 Cb 0.00 -2.46 0.92 0.00 0.00 0.00 0.00 37.83 36.28 2g80 s LYS 174 CO 0.00 -0.49 1.71 1.63 0.00 0.00 0.00 175.35 178.20 2g80 n LYS 175 N -0.36 0.18 -0.18 1.78 5.02 -1.26 -2.28 118.16 121.07 2g80 n LYS 175 Ca 0.07 0.35 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 2g80 n LYS 175 Cb 0.48 -1.81 0.20 0.00 -0.02 0.00 0.00 35.03 33.88 2g80 n LYS 175 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2g80 n THR 176 N -2.15 0.50 -4.06 -0.18 -2.24 -1.26 -4.36 114.28 100.53 2g80 n THR 176 Ca 0.03 -0.75 -0.35 0.00 -2.27 0.00 0.00 64.05 60.72 2g80 n THR 176 Cb 0.27 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.45 3.87 0.40 -0.78 8.01 -0.96 -4.61 118.70 123.18 2g80 s GLU 177 Ca 0.37 -0.40 0.07 0.00 0.01 0.00 0.00 54.97 55.01 2g80 s GLU 177 Cb 0.22 -3.17 0.82 0.00 -4.31 0.00 0.00 34.13 27.69 2g80 s GLU 177 CO 0.30 0.20 2.04 1.15 0.01 0.00 0.00 175.26 178.96 2g80 h THR 178 N 5.02 1.12 -0.68 3.63 2.02 -1.87 -2.70 112.91 119.45 2g80 h THR 178 Ca -0.36 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 66.62 2g80 h THR 178 Cb 1.17 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 2g80 h THR 178 CO 0.67 0.12 0.45 -0.61 0.37 0.00 0.00 175.52 176.52 2g80 h GLN 179 N 0.56 0.65 -1.00 6.66 5.75 -1.93 -1.74 115.11 124.05 2g80 h GLN 179 Ca 0.15 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2g80 h GLN 179 Cb -0.02 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.33 2g80 h GLN 179 CO -0.03 0.43 0.66 0.77 -2.65 0.00 0.00 178.83 178.01 2g80 h SER 180 N 0.67 1.13 -0.02 -0.69 0.02 -1.62 -0.19 113.55 112.85 2g80 h SER 180 Ca 0.30 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.07 2g80 h SER 180 Cb 0.31 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2g80 h SER 180 CO -0.10 0.80 -0.50 1.88 -1.14 0.00 0.00 176.83 177.77 2g80 h TYR 181 N 1.32 0.72 -0.77 3.45 0.05 -1.44 -1.58 116.97 118.71 2g80 h TYR 181 Ca 0.38 -0.24 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 2g80 h TYR 181 Cb -0.09 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 2g80 h TYR 181 CO -0.00 0.97 0.33 0.00 -1.05 0.00 0.00 178.16 178.41 2g80 h ALA 182 N 0.99 1.00 -0.40 3.88 0.00 -0.89 0.16 119.26 124.00 2g80 h ALA 182 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2g80 h ALA 182 Cb 1.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2g80 h ALA 182 CO 0.10 0.60 0.18 -0.91 0.00 0.00 0.00 179.25 179.22 2g80 h ASN 183 N 1.11 0.54 -0.53 0.00 2.35 -0.78 -2.23 115.58 116.04 2g80 h ASN 183 Ca 0.26 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2g80 h ASN 183 Cb 0.18 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2g80 h ASN 183 CO -0.03 0.53 0.31 0.40 -1.65 0.00 0.00 177.43 177.00 2g80 h ILE 184 N 0.51 1.16 -0.91 2.81 2.04 -1.10 -1.84 117.51 120.18 2g80 h ILE 184 Ca 0.14 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2g80 h ILE 184 Cb 0.14 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 2g80 h ILE 184 CO -0.02 0.17 0.60 -0.07 0.00 0.00 0.00 178.15 178.83 2g80 h LEU 185 N 0.70 1.04 -0.42 1.44 3.38 -0.72 -0.32 115.31 120.41 2g80 h LEU 185 Ca 0.19 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 2g80 h LEU 185 Cb -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2g80 h LEU 185 CO -0.03 0.75 -0.63 0.03 0.09 0.00 0.00 178.44 178.64 2g80 h ARG 186 N 1.22 0.58 -0.32 1.13 3.08 -1.15 -0.44 114.38 118.48 2g80 h ARG 186 Ca 0.34 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 2g80 h ARG 186 Cb -0.13 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2g80 h ARG 186 CO -0.08 1.02 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.38 2g80 h ASP 187 N 0.42 0.59 -0.34 7.04 3.32 -1.02 -2.99 116.42 123.44 2g80 h ASP 187 Ca -0.01 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.62 2g80 h ASP 187 Cb 1.20 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2g80 h ASP 187 CO 0.12 0.78 -0.10 0.40 -1.72 0.00 0.00 179.24 178.72 2g80 h ILE 188 N 0.38 1.25 -2.51 0.35 2.04 -1.08 -3.48 117.51 114.46 2g80 h ILE 188 Ca 0.09 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 64.71 2g80 h ILE 188 Cb 0.50 1.02 0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2g80 h ILE 188 CO 0.02 0.39 -0.19 0.61 0.00 0.00 0.00 178.15 178.99 2g80 n GLY 189 N -0.48 0.44 3.19 5.37 0.00 -0.19 -5.07 105.19 108.46 2g80 n GLY 189 Ca 0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.09 1.20 0.26 4.61 0.00 -1.10 -5.06 121.76 118.58 2g80 s ALA 190 Ca 0.10 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 2g80 s ALA 190 Cb -0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 2g80 s ALA 190 CO 0.19 0.01 0.97 -1.59 0.00 0.00 0.00 175.76 175.34 2g80 s LYS 191 N -2.66 4.77 0.24 0.00 0.00 -1.26 -4.76 119.74 116.07 2g80 s LYS 191 Ca 0.05 1.52 -0.04 0.00 0.00 0.00 0.00 55.97 57.50 2g80 s LYS 191 Cb -0.04 -3.18 0.44 0.00 0.00 0.00 0.00 37.83 35.05 2g80 s LYS 191 CO 0.01 0.42 1.74 0.00 0.00 0.00 0.00 175.35 177.52 2g80 h ALA 192 N 3.92 1.07 0.00 0.59 0.00 -1.87 -0.95 119.26 122.02 2g80 h ALA 192 Ca -0.46 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2g80 h ALA 192 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2g80 h ALA 192 CO 0.67 -0.16 0.00 0.66 0.00 0.00 0.00 179.25 180.42 2g80 h SER 193 N 0.50 0.00 -0.07 0.00 4.64 -1.90 -2.42 113.55 114.30 2g80 h SER 193 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2g80 h SER 193 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2g80 h SER 193 CO -0.37 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.97 2g80 n GLU 194 N -2.76 1.73 -5.03 4.77 -0.58 -0.36 -4.82 120.64 113.58 2g80 n GLU 194 Ca 0.00 -1.07 -0.32 0.00 -0.42 0.00 0.00 57.16 55.35 2g80 n GLU 194 Cb 0.20 -1.45 -0.15 0.00 -0.57 0.00 0.00 31.44 29.47 2g80 n GLU 194 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2g80 s VAL 195 N -1.92 2.61 -0.19 2.62 1.01 -0.91 -1.60 120.40 122.01 2g80 s VAL 195 Ca 0.36 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 2g80 s VAL 195 Cb 0.20 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2g80 s VAL 195 CO 0.31 0.57 -0.05 -0.22 0.00 0.00 0.00 175.10 175.70 2g80 s LEU 196 N -0.22 2.94 -0.21 3.92 2.96 -0.89 -2.03 118.68 125.15 2g80 s LEU 196 Ca -0.01 -0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 2g80 s LEU 196 Cb -0.13 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2g80 s LEU 196 CO 0.03 0.04 0.11 0.12 -1.32 0.00 0.00 176.35 175.34 2g80 s PHE 197 N 1.09 3.30 -0.15 5.38 5.36 0.10 -1.17 117.98 131.90 2g80 s PHE 197 Ca 0.01 0.16 0.02 0.00 -0.96 0.00 0.00 56.93 56.16 2g80 s PHE 197 Cb -0.15 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.37 2g80 s PHE 197 CO -0.00 0.13 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.18 2g80 s LEU 198 N 0.66 2.24 0.09 6.12 1.43 -0.50 -1.38 118.68 127.34 2g80 s LEU 198 Ca 0.06 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 2g80 s LEU 198 Cb -0.13 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.64 2g80 s LEU 198 CO 0.01 0.08 0.39 -0.55 0.23 0.00 0.00 176.35 176.51 2g80 s SER 199 N 0.84 -0.23 0.24 2.29 0.15 -1.12 -1.43 113.70 114.44 2g80 s SER 199 Ca -0.06 -0.21 0.23 0.00 0.70 0.00 0.00 55.95 56.61 2g80 s SER 199 Cb -0.15 0.44 0.18 0.00 -1.71 0.00 0.00 66.02 64.78 2g80 s SER 199 CO -0.02 -0.76 1.26 -2.24 1.20 0.00 0.00 173.24 172.68 2g80 h ASP 200 N 2.68 0.00 -3.51 5.45 2.03 -1.79 -0.28 116.42 120.99 2g80 h ASP 200 Ca -0.33 -0.05 -0.62 0.00 -0.73 0.00 0.00 57.03 55.31 2g80 h ASP 200 Cb 1.23 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.61 2g80 h ASP 200 CO 0.46 0.02 0.18 0.21 -1.03 0.00 0.00 179.24 179.09 2g80 s ASN 201 N -5.26 6.52 0.37 4.15 3.84 -1.26 -4.85 114.94 118.45 2g80 s ASN 201 Ca 0.03 0.48 0.09 0.00 0.21 0.00 0.00 52.86 53.67 2g80 s ASN 201 Cb 0.09 -2.34 0.71 0.00 -0.55 0.00 0.00 41.25 39.17 2g80 s ASN 201 CO 0.74 -0.49 1.87 -0.65 -2.79 0.00 0.00 177.10 175.78 2g80 h PRO 202 N 8.15 0.22 -0.33 0.43 0.11 -2.00 -2.90 132.00 135.68 2g80 h PRO 202 Ca -0.26 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2g80 h PRO 202 Cb 1.12 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2g80 h PRO 202 CO 0.81 0.42 0.15 -0.07 -0.21 0.00 0.00 178.00 179.10 2g80 h LEU 203 N 0.21 0.41 -0.30 2.35 3.38 -1.97 0.91 115.31 120.30 2g80 h LEU 203 Ca 0.04 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2g80 h LEU 203 Cb 0.48 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2g80 h LEU 203 CO 0.03 0.37 -0.74 -0.33 0.09 0.00 0.00 178.44 177.86 2g80 h GLU 204 N 0.47 0.60 -0.55 1.13 5.08 -1.71 -2.85 114.58 116.74 2g80 h GLU 204 Ca 0.12 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 2g80 h GLU 204 Cb 0.08 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2g80 h GLU 204 CO -0.01 1.10 0.01 -0.07 -1.00 0.00 0.00 179.01 179.03 2g80 h LEU 205 N 0.41 0.92 0.03 1.33 3.38 -1.27 -1.97 115.31 118.13 2g80 h LEU 205 Ca -0.04 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.72 2g80 h LEU 205 Cb 1.33 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2g80 h LEU 205 CO 0.14 0.97 -0.23 0.44 0.09 0.00 0.00 178.44 179.85 2g80 h ASP 206 N 0.87 -0.68 -0.36 -0.43 3.32 -0.85 0.21 116.42 118.51 2g80 h ASP 206 Ca 0.16 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.37 2g80 h ASP 206 Cb 0.50 0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 2g80 h ASP 206 CO 0.02 -0.31 -0.01 0.00 -1.72 0.00 0.00 179.24 177.22 2g80 h ALA 207 N 0.45 0.32 -0.54 3.45 0.00 -1.38 -0.08 119.26 121.48 2g80 h ALA 207 Ca 0.05 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2g80 h ALA 207 Cb 0.45 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2g80 h ALA 207 CO -0.19 -0.41 0.12 0.00 0.00 0.00 0.00 179.25 178.77 2g80 h ALA 208 N 1.32 0.71 0.00 0.00 0.00 -1.12 -2.76 119.26 117.40 2g80 h ALA 208 Ca 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2g80 h ALA 208 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2g80 h ALA 208 CO -0.31 0.41 -0.10 0.00 0.00 0.00 0.00 179.25 179.25 2g80 h ALA 209 N 1.01 1.77 -0.02 0.00 0.00 -0.09 -2.18 119.26 119.74 2g80 h ALA 209 Ca 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2g80 h ALA 209 Cb 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2g80 h ALA 209 CO 0.00 0.13 0.04 0.78 0.00 0.00 0.00 179.25 180.20 2g80 h GLY 210 N 0.33 0.00 -1.70 0.00 0.00 -0.71 -2.29 103.07 98.69 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 0.01 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.10 2g80 n VAL 211 N -3.56 1.96 -1.01 4.60 3.14 -0.86 -4.98 118.33 117.62 2g80 n VAL 211 Ca -0.02 -1.59 -0.00 0.00 -2.96 0.00 0.00 64.34 59.76 2g80 n VAL 211 Cb 0.12 -0.04 -0.00 0.00 -1.06 0.00 0.00 33.84 32.86 2g80 n VAL 211 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2g80 n GLY 212 N -0.10 0.45 3.73 7.55 0.00 -0.86 -4.80 105.19 111.17 2g80 n GLY 212 Ca 0.19 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 4.08 0.26 -0.61 1.01 -0.94 -3.44 121.20 119.55 2g80 s ILE 213 Ca 0.00 1.77 -0.30 0.00 0.00 0.00 0.00 60.65 62.13 2g80 s ILE 213 Cb 0.00 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 2g80 s ILE 213 CO 0.00 0.29 1.26 0.00 0.00 0.00 0.00 174.94 176.50 2g80 s ALA 214 N -0.16 3.49 0.09 9.38 0.00 -0.86 -4.03 121.76 129.67 2g80 s ALA 214 Ca 0.49 1.11 0.10 0.00 0.00 0.00 0.00 51.96 53.66 2g80 s ALA 214 Cb -0.27 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 2g80 s ALA 214 CO 0.33 -0.49 -0.27 0.95 0.00 0.00 0.00 175.76 176.28 2g80 s THR 215 N -0.56 2.21 -0.04 0.00 -4.23 -1.26 0.00 115.64 111.77 2g80 s THR 215 Ca 0.52 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2g80 s THR 215 Cb -0.37 -1.93 0.03 0.00 1.34 0.00 0.00 72.50 71.58 2g80 s THR 215 CO 0.44 0.21 0.08 -0.83 -0.54 0.00 0.00 174.62 173.97 2g80 s GLY 216 N -1.71 0.04 -0.46 3.99 0.00 -0.48 -4.57 107.32 104.14 2g80 s GLY 216 Ca 0.13 0.45 -0.19 0.00 0.00 0.00 0.00 44.72 45.11 2g80 s GLY 216 CO 0.04 0.78 0.55 -2.27 0.00 0.00 0.00 173.10 172.20 2g80 s LEU 217 N 1.04 4.84 0.14 0.66 2.96 -0.02 -2.81 118.68 125.49 2g80 s LEU 217 Ca -0.08 -0.69 -0.31 0.00 -0.22 0.00 0.00 54.13 52.83 2g80 s LEU 217 Cb -0.11 -2.49 -0.08 0.00 0.50 0.00 0.00 46.19 44.01 2g80 s LEU 217 CO -0.04 -0.74 1.36 0.00 -1.32 0.00 0.00 176.35 175.61 2g80 s ALA 218 N 2.45 3.56 -0.19 5.97 0.00 -0.12 -1.37 121.76 132.07 2g80 s ALA 218 Ca 0.15 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 53.22 2g80 s ALA 218 Cb -0.17 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.48 2g80 s ALA 218 CO 0.14 -0.59 -0.04 0.45 0.00 0.00 0.00 175.76 175.72 2g80 s SER 219 N 0.83 3.15 0.12 0.00 0.15 -0.41 -4.30 113.70 113.24 2g80 s SER 219 Ca 0.62 -0.84 0.06 0.00 0.70 0.00 0.00 55.95 56.49 2g80 s SER 219 Cb -0.37 -0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 62.95 2g80 s SER 219 CO 0.33 -0.21 -0.15 -0.13 1.20 0.00 0.00 173.24 174.28 2g80 s ARG 220 N 1.59 1.04 0.02 5.44 1.81 -1.26 -4.24 118.95 123.35 2g80 s ARG 220 Ca -0.01 -1.24 -0.38 0.00 -1.72 0.00 0.00 55.73 52.37 2g80 s ARG 220 Cb -0.17 -0.96 -0.17 0.00 -0.45 0.00 0.00 34.95 33.20 2g80 s ARG 220 CO -0.07 0.19 1.32 -2.30 -0.68 0.00 0.00 175.30 173.75 2g80 n PRO 221 N 0.56 0.85 0.00 3.54 -0.02 -1.26 -1.73 135.00 136.93 2g80 n PRO 221 Ca -0.16 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2g80 n PRO 221 Cb 0.57 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 2.47 1.81 3.79 -1.23 0.00 -1.26 -4.67 105.19 106.10 2g80 n GLY 222 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.06 4.52 0.33 1.61 -0.87 -0.71 -4.93 114.94 112.84 2g80 s ASN 223 Ca 0.00 1.45 -0.29 0.00 -1.57 0.00 0.00 52.86 52.45 2g80 s ASN 223 Cb 0.00 -2.21 -0.11 0.00 -0.02 0.00 0.00 41.25 38.92 2g80 s ASN 223 CO 0.00 -1.97 1.48 0.00 -2.57 0.00 0.00 177.10 174.04 2g80 s ALA 224 N -3.07 3.61 0.63 0.60 0.00 -1.26 -4.94 121.76 117.33 2g80 s ALA 224 Ca 0.61 1.49 -0.19 0.00 0.00 0.00 0.00 51.96 53.87 2g80 s ALA 224 Cb -0.15 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 2g80 s ALA 224 CO 0.55 -0.93 1.31 -0.35 0.00 0.00 0.00 175.76 176.34 2g80 n PRO 225 N 1.23 1.25 -1.91 0.00 -0.04 -1.26 -5.02 135.00 129.26 2g80 n PRO 225 Ca 0.03 0.48 -0.30 0.00 -0.04 0.00 0.00 63.50 63.68 2g80 n PRO 225 Cb 0.39 -2.54 0.17 0.00 -0.04 0.00 0.00 33.50 31.48 2g80 n PRO 225 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2g80 s VAL 226 N -1.36 1.99 -0.48 0.52 1.01 -1.26 -5.20 120.40 115.62 2g80 s VAL 226 Ca 0.80 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.85 2g80 s VAL 226 Cb -0.39 -2.99 0.21 0.00 0.00 0.00 0.00 36.38 33.21 2g80 s VAL 226 CO 0.42 0.00 0.71 1.67 0.00 0.00 0.00 175.10 177.90 2g80 n GLN 230 N -3.72 0.59 0.11 2.72 -0.06 -1.26 -5.21 117.38 110.55 2g80 n GLN 230 Ca 0.14 -2.20 -0.22 0.00 -2.00 0.00 0.00 57.00 52.72 2g80 n GLN 230 Cb 0.60 -1.47 -0.15 0.00 -4.06 0.00 0.00 30.24 25.16 2g80 n GLN 230 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 2g80 h LYS 231 N 4.65 0.41 -6.46 3.69 2.10 -2.07 -3.48 116.57 115.41 2g80 h LYS 231 Ca 0.02 -0.71 -0.52 0.00 -2.00 0.00 0.00 60.65 57.44 2g80 h LYS 231 Cb 1.03 0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 32.61 2g80 h LYS 231 CO 0.21 1.32 -0.15 0.71 -2.00 0.00 0.00 179.45 179.54 2g80 s TYR 232 N -2.61 3.47 -0.21 0.07 2.02 -1.26 -5.06 117.35 113.77 2g80 s TYR 232 Ca -0.10 0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 56.96 2g80 s TYR 232 Cb 0.05 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.51 2g80 s TYR 232 CO 0.90 0.20 1.08 -1.14 -1.57 0.00 0.00 175.55 175.01 2g80 s GLN 233 N -3.44 4.26 -0.00 -0.62 0.74 -1.26 -4.87 119.66 114.47 2g80 s GLN 233 Ca 0.44 1.41 -0.18 0.00 0.05 0.00 0.00 55.36 57.08 2g80 s GLN 233 Cb -0.11 -3.66 -0.06 0.00 1.10 0.00 0.00 33.01 30.29 2g80 s GLN 233 CO 0.29 -0.63 0.53 0.08 -0.55 0.00 0.00 175.29 175.00 2g80 s VAL 234 N 3.20 4.94 -0.18 1.34 1.01 -1.26 -0.84 120.40 128.60 2g80 s VAL 234 Ca 0.46 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.54 2g80 s VAL 234 Cb -0.16 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2g80 s VAL 234 CO 0.08 0.48 -0.13 -0.31 0.00 0.00 0.00 175.10 175.21 2g80 s TYR 235 N -0.50 2.44 -0.16 5.22 2.02 -0.47 -4.92 117.35 120.98 2g80 s TYR 235 Ca 0.28 -1.51 0.15 0.00 -0.37 0.00 0.00 57.07 55.62 2g80 s TYR 235 Cb -0.18 -1.69 0.05 0.00 -0.40 0.00 0.00 41.96 39.75 2g80 s TYR 235 CO 0.16 -0.74 1.41 0.87 -1.57 0.00 0.00 175.55 175.68 2g80 h LYS 236 N 7.98 0.00 -3.66 -0.62 1.57 -1.86 -1.07 116.57 118.91 2g80 h LYS 236 Ca -0.34 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 2g80 h LYS 236 Cb 1.11 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.36 2g80 h LYS 236 CO 0.52 0.48 -0.06 0.54 -0.57 0.00 0.00 179.45 180.37 2g80 s ASN 237 N -6.41 0.24 -0.15 0.86 2.20 -1.26 -4.72 114.94 105.69 2g80 s ASN 237 Ca 0.04 -1.13 0.16 0.00 -0.94 0.00 0.00 52.86 50.98 2g80 s ASN 237 Cb 0.08 0.66 0.60 0.00 -2.00 0.00 0.00 41.25 40.58 2g80 s ASN 237 CO 0.75 -1.29 1.51 0.49 -2.94 0.00 0.00 177.10 175.61 2g80 n PHE 238 N -0.47 1.21 -0.10 1.54 3.72 -1.26 -4.66 117.46 117.44 2g80 n PHE 238 Ca -0.02 -0.73 -0.11 0.00 -0.05 0.00 0.00 57.45 56.54 2g80 n PHE 238 Cb 0.61 -0.29 0.02 0.00 -0.94 0.00 0.00 39.48 38.88 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 2.79 0.86 0.00 -1.08 5.08 -1.99 -2.96 114.58 117.29 2g80 h GLU 239 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2g80 h GLU 239 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2g80 h GLU 239 CO 0.24 1.07 0.00 1.79 -1.00 0.00 0.00 179.01 181.12 2g80 h THR 240 N 0.71 0.00 0.00 1.13 1.35 -2.00 -3.52 112.91 110.58 2g80 h THR 240 Ca 0.07 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2g80 h THR 240 Cb 0.92 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2g80 h THR 240 CO 0.09 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.54