#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 3.48 -0.54 1.20 2.02 -1.26 -5.03 117.35 117.23 2g80 s TYR 19 Ca 0.00 0.95 0.22 0.00 -0.37 0.00 0.00 57.07 57.86 2g80 s TYR 19 Cb 0.00 -2.37 -0.27 0.00 -0.40 0.00 0.00 41.96 38.93 2g80 s TYR 19 CO 0.00 -0.08 0.72 -1.13 -1.57 0.00 0.00 175.55 173.48 2g80 n SER 20 N -1.36 0.52 -4.00 2.29 3.41 -1.00 -4.95 113.62 108.54 2g80 n SER 20 Ca 0.01 -0.50 -0.15 0.00 -0.26 0.00 0.00 58.87 57.97 2g80 n SER 20 Cb 0.54 1.44 -0.13 0.00 -0.26 0.00 0.00 64.21 65.80 2g80 n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2g80 s THR 21 N -3.25 0.49 -0.06 6.66 2.01 -0.88 -4.02 115.64 116.59 2g80 s THR 21 Ca 0.00 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2g80 s THR 21 Cb 0.15 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 72.21 2g80 s THR 21 CO 0.88 -0.05 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.34 2g80 s TYR 22 N -0.56 1.37 -0.17 4.92 1.51 -0.47 -2.07 117.35 121.90 2g80 s TYR 22 Ca -0.02 -0.49 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 2g80 s TYR 22 Cb -0.05 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 40.77 2g80 s TYR 22 CO 0.00 -0.26 -0.07 -1.17 -1.11 0.00 0.00 175.55 172.94 2g80 s LEU 23 N 0.64 2.95 -0.12 -1.29 2.96 -0.09 -1.18 118.68 122.54 2g80 s LEU 23 Ca -0.13 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2g80 s LEU 23 Cb -0.15 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2g80 s LEU 23 CO 0.03 0.10 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.20 2g80 s LEU 24 N 0.73 2.01 0.67 -0.68 1.43 0.43 -0.99 118.68 122.28 2g80 s LEU 24 Ca -0.03 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 2g80 s LEU 24 Cb -0.15 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.73 2g80 s LEU 24 CO 0.02 0.08 1.12 -0.62 0.23 0.00 0.00 176.35 177.17 2g80 s ASP 25 N 0.76 5.01 0.00 2.29 2.15 -0.48 -1.02 116.67 125.38 2g80 s ASP 25 Ca -0.09 2.02 0.00 0.00 0.43 0.00 0.00 52.55 54.90 2g80 s ASP 25 Cb -0.16 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2g80 s ASP 25 CO 0.00 -1.69 0.00 -0.38 -0.17 0.00 0.00 175.17 172.93 2g80 n ILE 26 N -2.48 0.00 -1.99 4.11 5.41 -1.26 -3.90 119.36 119.25 2g80 n ILE 26 Ca 0.10 0.35 -0.42 0.00 1.00 0.00 0.00 62.75 63.78 2g80 n ILE 26 Cb 0.52 -1.26 -0.03 0.00 -0.71 0.00 0.00 39.64 38.16 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 -0.70 4.13 0.00 0.38 2.02 -1.26 -0.65 118.70 122.61 2g80 s GLU 27 Ca 0.00 2.17 0.00 0.00 0.02 0.00 0.00 54.97 57.16 2g80 s GLU 27 Cb 0.00 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.22 2g80 s GLU 27 CO 0.00 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.78 2g80 n GLY 28 N 4.23 0.85 1.17 -1.39 0.00 0.12 -4.74 105.19 105.43 2g80 n GLY 28 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.09 0.85 -0.01 2.61 -1.04 -0.63 -4.32 114.28 109.65 2g80 n THR 29 Ca 0.00 0.28 0.08 0.00 -2.04 0.00 0.00 64.05 62.37 2g80 n THR 29 Cb 0.00 -1.32 -0.14 0.00 -1.82 0.00 0.00 70.33 67.05 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 -3.29 0.08 -4.23 12.58 0.24 0.18 -4.98 118.33 118.91 2g80 n VAL 30 Ca 0.00 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 61.75 2g80 n VAL 30 Cb 0.00 0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.32 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 -0.22 1.73 0.00 0.00 -0.02 -1.26 -0.70 135.00 134.53 2g80 n PRO 32 Ca -0.07 0.61 0.21 0.00 -2.02 0.00 0.00 63.50 62.23 2g80 n PRO 32 Cb 0.63 -2.10 0.71 0.00 -0.02 0.00 0.00 33.50 32.72 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 2.39 0.63 -0.02 4.25 2.10 -1.86 -2.47 117.51 122.52 2g80 h ILE 33 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.51 2g80 h ILE 33 Cb 1.31 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 2g80 h ILE 33 CO 0.64 0.00 -0.14 -1.20 -1.08 0.00 0.00 178.15 176.37 2g80 n SER 34 N -4.21 2.39 -0.16 2.19 7.64 -1.26 -4.63 113.62 115.58 2g80 n SER 34 Ca 0.10 -1.73 -0.02 0.00 1.01 0.00 0.00 58.87 58.23 2g80 n SER 34 Cb 0.64 0.13 0.07 0.00 -1.01 0.00 0.00 64.21 64.04 2g80 n SER 34 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2g80 h PHE 35 N 3.54 0.13 0.28 1.43 3.57 -1.81 0.21 116.94 124.30 2g80 h PHE 35 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2g80 h PHE 35 Cb 0.83 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2g80 h PHE 35 CO 0.00 -0.02 -0.13 0.28 -2.23 0.00 0.00 178.31 176.20 2g80 h VAL 36 N 0.22 0.71 0.00 1.41 2.07 -1.83 -1.41 116.25 117.42 2g80 h VAL 36 Ca 0.25 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 2g80 h VAL 36 Cb 0.34 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2g80 h VAL 36 CO -0.34 0.13 -0.42 0.07 0.02 0.00 0.00 177.57 177.04 2g80 h LYS 37 N -0.79 0.00 0.00 1.57 -0.00 -1.83 -0.83 116.57 114.68 2g80 h LYS 37 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.61 2g80 h LYS 37 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.74 2g80 h LYS 37 CO 0.06 0.42 -0.57 0.39 -0.00 0.00 0.00 179.45 179.75 2g80 n GLU 38 N -4.02 3.19 0.02 0.07 1.02 0.05 -4.41 120.64 116.56 2g80 n GLU 38 Ca -0.02 -0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.10 2g80 n GLU 38 Cb 0.45 -1.04 -0.01 0.00 -0.02 0.00 0.00 31.44 30.82 2g80 n GLU 38 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2g80 n THR 39 N -1.29 1.18 -0.07 2.62 -1.04 -0.58 -4.67 114.28 110.44 2g80 n THR 39 Ca 0.02 0.31 -0.11 0.00 -2.04 0.00 0.00 64.05 62.23 2g80 n THR 39 Cb 0.18 -1.71 -0.04 0.00 -1.82 0.00 0.00 70.33 66.93 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 -0.19 0.32 0.09 -4.42 3.38 -0.87 -1.91 115.31 111.71 2g80 h LEU 40 Ca -0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2g80 h LEU 40 Cb 0.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2g80 h LEU 40 CO -0.01 0.45 -0.04 -0.26 0.09 0.00 0.00 178.44 178.67 2g80 h PHE 41 N 0.17 -0.12 -0.86 1.13 -1.00 -1.39 -1.55 116.94 113.33 2g80 h PHE 41 Ca 0.07 -0.00 0.16 0.00 2.81 0.00 0.00 57.97 61.01 2g80 h PHE 41 Cb 0.25 0.04 -0.10 0.00 3.61 0.00 0.00 35.95 39.75 2g80 h PHE 41 CO 0.01 0.20 0.43 -1.35 -1.61 0.00 0.00 178.31 175.99 2g80 h PRO 42 N -0.43 0.57 -0.99 1.51 0.11 -1.77 -0.25 132.00 130.75 2g80 h PRO 42 Ca -0.01 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.11 2g80 h PRO 42 Cb 0.36 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.29 2g80 h PRO 42 CO 0.02 0.38 0.65 -0.92 -0.21 0.00 0.00 178.00 177.92 2g80 h TYR 43 N 0.59 1.21 0.06 0.65 3.20 -1.14 -0.10 116.97 121.44 2g80 h TYR 43 Ca 0.48 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.38 2g80 h TYR 43 Cb 0.73 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2g80 h TYR 43 CO -0.10 0.68 -0.03 0.35 -1.64 0.00 0.00 178.16 177.43 2g80 h PHE 44 N 1.23 -0.07 0.00 -3.82 3.57 -0.21 -2.94 116.94 114.69 2g80 h PHE 44 Ca 0.40 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.84 2g80 h PHE 44 Cb 0.04 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2g80 h PHE 44 CO -0.00 0.26 -0.27 1.79 -2.23 0.00 0.00 178.31 177.86 2g80 h THR 45 N -0.41 1.07 -0.25 4.41 1.35 -0.92 -2.45 112.91 115.71 2g80 h THR 45 Ca -0.01 -0.95 -0.12 0.00 -0.55 0.00 0.00 66.41 64.78 2g80 h THR 45 Cb 0.36 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2g80 h THR 45 CO 0.01 0.26 -0.35 -1.13 -0.25 0.00 0.00 175.52 174.06 2g80 h ASN 46 N 0.00 0.56 1.24 5.36 -1.24 -1.02 -3.22 115.58 117.26 2g80 h ASN 46 Ca -0.00 -0.23 -0.13 0.00 0.71 0.00 0.00 56.30 56.65 2g80 h ASN 46 Cb 0.51 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 2g80 h ASN 46 CO 0.03 0.87 -0.62 0.11 -1.29 0.00 0.00 177.43 176.54 2g80 h LYS 47 N 0.46 0.00 -0.52 6.67 1.79 -1.27 -3.39 116.57 120.31 2g80 h LYS 47 Ca 0.05 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.62 2g80 h LYS 47 Cb 0.83 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.37 2g80 h LYS 47 CO 0.07 0.62 -0.27 0.28 -1.08 0.00 0.00 179.45 179.07 2g80 h VAL 48 N 0.00 0.27 -0.40 0.50 2.07 -1.48 -2.23 116.25 114.97 2g80 h VAL 48 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2g80 h VAL 48 Cb 1.40 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 2g80 h VAL 48 CO 0.08 0.00 -0.17 -0.65 0.02 0.00 0.00 177.57 176.85 2g80 h PRO 49 N -0.14 -0.08 -0.18 1.57 0.11 -1.76 -1.46 132.00 130.05 2g80 h PRO 49 Ca 0.23 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.22 2g80 h PRO 49 Cb 0.51 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2g80 h PRO 49 CO -0.61 -0.06 -0.43 1.96 -0.21 0.00 0.00 178.00 178.65 2g80 h GLN 50 N -0.09 0.43 -0.35 1.05 7.50 -1.79 0.67 115.11 122.53 2g80 h GLN 50 Ca 0.20 -0.22 -0.04 0.00 0.50 0.00 0.00 58.65 59.08 2g80 h GLN 50 Cb 0.39 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 2g80 h GLN 50 CO -0.46 0.79 0.06 -0.07 -1.50 0.00 0.00 178.83 177.65 2g80 h LEU 51 N 0.35 0.56 -0.10 1.46 3.38 -1.24 -0.62 115.31 119.09 2g80 h LEU 51 Ca 0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2g80 h LEU 51 Cb 0.91 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2g80 h LEU 51 CO 0.08 0.67 -0.11 0.58 0.09 0.00 0.00 178.44 179.74 2g80 h VAL 52 N 0.42 1.36 0.39 1.22 2.07 -1.15 -3.37 116.25 117.18 2g80 h VAL 52 Ca 0.11 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 2g80 h VAL 52 Cb 0.34 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2g80 h VAL 52 CO 0.01 0.37 -0.19 1.56 0.02 0.00 0.00 177.57 179.34 2g80 h GLN 53 N -0.15 -0.50 -3.26 1.57 4.20 -0.89 -3.31 115.11 112.77 2g80 h GLN 53 Ca 0.02 0.03 -0.68 0.00 0.06 0.00 0.00 58.65 58.08 2g80 h GLN 53 Cb 0.64 0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.54 2g80 h GLN 53 CO 0.03 -0.19 3.64 1.04 -0.67 0.00 0.00 178.83 182.68 2g80 n GLN 54 N -5.17 3.50 -3.00 1.46 6.02 -0.24 -4.92 117.38 115.03 2g80 n GLN 54 Ca -0.10 -2.34 -0.41 0.00 -0.01 0.00 0.00 57.00 54.15 2g80 n GLN 54 Cb 0.28 -2.93 -0.05 0.00 1.02 0.00 0.00 30.24 28.56 2g80 n GLN 54 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2g80 s ASP 55 N 2.40 6.75 0.11 1.08 3.68 -1.25 -4.88 116.67 124.56 2g80 s ASP 55 Ca 0.63 0.92 -0.13 0.00 2.13 0.00 0.00 52.55 56.11 2g80 s ASP 55 Cb 0.17 -2.39 -0.06 0.00 -1.45 0.00 0.00 42.92 39.18 2g80 s ASP 55 CO -0.07 -0.41 0.49 -0.89 0.13 0.00 0.00 175.17 174.42 2g80 s THR 56 N 2.47 4.95 0.25 1.71 2.01 -1.26 -5.07 115.64 120.70 2g80 s THR 56 Ca 0.32 0.70 -0.30 0.00 0.31 0.00 0.00 61.69 62.72 2g80 s THR 56 Cb -0.16 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 2g80 s THR 56 CO 0.09 0.28 1.21 0.00 -0.69 0.00 0.00 174.62 175.52 2g80 s ARG 57 N -1.87 4.49 -1.87 4.92 3.03 -1.26 -3.64 118.95 122.74 2g80 s ARG 57 Ca 0.35 1.96 0.00 0.00 2.03 0.00 0.00 55.73 60.07 2g80 s ARG 57 Cb -0.15 -3.18 0.00 0.00 -1.03 0.00 0.00 34.95 30.59 2g80 s ARG 57 CO 0.18 -0.05 0.00 -0.25 -1.13 0.00 0.00 175.30 174.05 2g80 n ASP 58 N 1.76 -5.14 -4.83 -2.89 8.00 -1.26 -5.01 116.55 107.17 2g80 n ASP 58 Ca 0.02 0.42 -0.31 0.00 0.71 0.00 0.00 54.79 55.63 2g80 n ASP 58 Cb 0.44 -4.21 0.05 0.00 -0.02 0.00 0.00 41.12 37.38 2g80 n ASP 58 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2g80 s SER 59 N -2.78 5.33 0.20 -2.24 1.04 -1.24 -4.95 113.70 109.07 2g80 s SER 59 Ca 0.00 1.47 -0.12 0.00 0.48 0.00 0.00 55.95 57.78 2g80 s SER 59 Cb 0.00 -2.33 0.24 0.00 0.10 0.00 0.00 66.02 64.03 2g80 s SER 59 CO 0.00 -1.45 1.67 -0.65 0.98 0.00 0.00 173.24 173.79 2g80 h PRO 60 N -0.73 0.11 0.00 4.02 0.11 -1.95 -2.29 132.00 131.28 2g80 h PRO 60 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2g80 h PRO 60 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2g80 h PRO 60 CO 0.59 0.07 -0.30 -0.24 -0.21 0.00 0.00 178.00 177.91 2g80 h VAL 61 N 0.11 0.87 -0.81 3.15 3.04 -1.97 -2.98 116.25 117.67 2g80 h VAL 61 Ca 0.29 -1.17 0.01 0.00 -1.01 0.00 0.00 66.70 64.82 2g80 h VAL 61 Cb 0.45 1.70 -0.04 0.00 -2.01 0.00 0.00 31.29 31.39 2g80 h VAL 61 CO -0.48 0.29 0.53 0.77 -1.01 0.00 0.00 177.57 177.67 2g80 h SER 62 N 0.00 0.92 -0.75 3.17 4.64 -1.72 -0.83 113.55 118.98 2g80 h SER 62 Ca -0.00 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2g80 h SER 62 Cb 0.68 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.50 2g80 h SER 62 CO 0.04 0.66 0.47 0.78 -0.87 0.00 0.00 176.83 177.91 2g80 h ASN 63 N 1.08 0.78 0.02 4.97 4.21 -1.46 0.15 115.58 125.33 2g80 h ASN 63 Ca 0.30 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.81 2g80 h ASN 63 Cb -0.11 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 36.92 2g80 h ASN 63 CO -0.07 0.53 -0.01 0.40 -1.29 0.00 0.00 177.43 176.99 2g80 h ILE 64 N 0.92 1.25 -0.64 2.81 2.04 -1.50 -3.24 117.51 119.14 2g80 h ILE 64 Ca 0.30 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.36 2g80 h ILE 64 Cb 0.02 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 2g80 h ILE 64 CO -0.11 0.22 0.42 -0.07 0.00 0.00 0.00 178.15 178.61 2g80 h LEU 65 N -0.40 0.57 -1.79 1.44 3.38 -0.96 -1.55 115.31 116.00 2g80 h LEU 65 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2g80 h LEU 65 Cb 0.38 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2g80 h LEU 65 CO 0.01 0.38 -0.15 0.77 0.09 0.00 0.00 178.44 179.53 2g80 h SER 66 N 0.65 0.00 0.25 -0.43 4.64 -0.72 -2.88 113.55 115.06 2g80 h SER 66 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2g80 h SER 66 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2g80 h SER 66 CO -0.08 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 2g80 n GLN 67 N -3.90 0.31 0.21 4.77 6.02 -0.58 -1.78 117.38 122.43 2g80 n GLN 67 Ca -0.02 0.10 0.11 0.00 -0.01 0.00 0.00 57.00 57.17 2g80 n GLN 67 Cb 0.25 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.20 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 -5.34 1.08 0.04 -1.66 -3.49 116.94 107.57 2g80 h PHE 68 Ca 0.00 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.42 2g80 h PHE 68 Cb 0.12 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.40 2g80 h PHE 68 CO 0.00 0.09 -0.61 0.72 -0.60 0.00 0.00 178.31 177.91 2g80 n HIS 69 N -3.13 -2.56 -4.08 -0.55 8.25 -0.73 -5.01 115.22 107.41 2g80 n HIS 69 Ca 0.03 0.91 -0.32 0.00 -0.26 0.00 0.00 57.72 58.08 2g80 n HIS 69 Cb 0.55 -4.64 -0.16 0.00 1.12 0.00 0.00 29.99 26.86 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 -3.29 1.99 0.07 1.59 1.01 -1.26 -5.03 121.20 116.28 2g80 s ILE 70 Ca 0.50 -1.11 0.08 0.00 0.00 0.00 0.00 60.65 60.12 2g80 s ILE 70 Cb -0.22 -1.92 -0.22 0.00 0.01 0.00 0.00 42.46 40.11 2g80 s ILE 70 CO 0.65 0.33 1.09 0.44 0.00 0.00 0.00 174.94 177.45 2g80 h ASP 71 N 7.91 0.03 -3.21 3.58 3.32 -1.97 -3.45 116.42 122.62 2g80 h ASP 71 Ca -0.36 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.08 2g80 h ASP 71 Cb 1.11 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 2g80 h ASP 71 CO 0.56 1.03 0.58 0.21 -1.72 0.00 0.00 179.24 179.90 2g80 s ASN 72 N -6.56 7.02 0.24 6.45 3.84 -1.26 -4.96 114.94 119.71 2g80 s ASN 72 Ca -0.01 1.27 -0.06 0.00 0.21 0.00 0.00 52.86 54.27 2g80 s ASN 72 Cb 0.09 -2.50 0.30 0.00 -0.55 0.00 0.00 41.25 38.60 2g80 s ASN 72 CO 0.82 -0.53 1.87 0.11 -2.79 0.00 0.00 177.10 176.59 2g80 h LYS 73 N 7.42 1.04 -0.48 0.43 1.57 -1.96 0.73 116.57 125.32 2g80 h LYS 73 Ca -0.24 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 2g80 h LYS 73 Cb 1.10 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2g80 h LYS 73 CO 0.90 0.69 0.22 0.93 -0.57 0.00 0.00 179.45 181.61 2g80 h GLU 74 N 1.07 0.71 -0.38 3.15 5.08 -1.98 -1.06 114.58 121.18 2g80 h GLU 74 Ca 0.37 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2g80 h GLU 74 Cb 0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2g80 h GLU 74 CO -0.14 0.61 0.20 0.37 -1.00 0.00 0.00 179.01 179.05 2g80 h GLN 75 N 0.64 0.53 0.12 2.33 4.15 -1.87 -1.56 115.11 119.45 2g80 h GLN 75 Ca 0.16 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 2g80 h GLN 75 Cb 0.15 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 2g80 h GLN 75 CO -0.02 0.45 -0.07 1.25 -1.93 0.00 0.00 178.83 178.51 2g80 h LEU 76 N 0.47 -0.18 -0.48 -2.39 5.85 -0.76 0.61 115.31 118.43 2g80 h LEU 76 Ca 0.13 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2g80 h LEU 76 Cb 0.08 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2g80 h LEU 76 CO -0.02 -0.12 0.24 -0.61 -0.34 0.00 0.00 178.44 177.59 2g80 h GLN 77 N -0.18 0.45 -0.63 1.25 4.15 -1.20 -1.32 115.11 117.63 2g80 h GLN 77 Ca -0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2g80 h GLN 77 Cb 0.15 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 2g80 h GLN 77 CO 0.01 0.30 0.30 0.00 -1.93 0.00 0.00 178.83 177.51 2g80 h ALA 78 N 1.26 0.82 -0.36 3.38 0.00 -1.05 -2.09 119.26 121.21 2g80 h ALA 78 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2g80 h ALA 78 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2g80 h ALA 78 CO -0.15 0.39 0.19 1.25 0.00 0.00 0.00 179.25 180.93 2g80 h HIS 79 N 0.87 0.50 -0.36 0.00 -0.00 -0.45 -0.52 115.15 115.20 2g80 h HIS 79 Ca 0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 2g80 h HIS 79 Cb 0.13 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2g80 h HIS 79 CO 0.00 0.41 0.23 0.82 -0.00 0.00 0.00 177.93 179.39 2g80 h ILE 80 N 0.45 1.10 -0.09 6.26 2.04 -1.10 -1.16 117.51 125.01 2g80 h ILE 80 Ca 0.13 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 2g80 h ILE 80 Cb 0.08 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2g80 h ILE 80 CO -0.02 0.09 -0.33 -0.07 0.00 0.00 0.00 178.15 177.83 2g80 h LEU 81 N 0.48 0.17 -0.20 1.44 3.38 -1.25 -2.84 115.31 116.49 2g80 h LEU 81 Ca 0.13 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2g80 h LEU 81 Cb -0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2g80 h LEU 81 CO -0.03 0.50 -0.04 -0.08 0.09 0.00 0.00 178.44 178.88 2g80 h GLU 82 N 0.15 0.37 -0.94 1.13 4.81 -0.65 -0.69 114.58 118.76 2g80 h GLU 82 Ca 0.02 -0.14 0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2g80 h GLU 82 Cb 0.66 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 2g80 h GLU 82 CO 0.05 0.62 0.59 -0.07 -0.73 0.00 0.00 179.01 179.47 2g80 h LEU 83 N 0.10 0.90 -0.10 1.64 3.38 -1.16 0.18 115.31 120.25 2g80 h LEU 83 Ca 0.05 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2g80 h LEU 83 Cb 0.48 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2g80 h LEU 83 CO 0.02 0.54 -0.09 0.58 0.09 0.00 0.00 178.44 179.57 2g80 h VAL 84 N 1.01 1.36 -0.40 1.22 2.07 -1.43 0.11 116.25 120.19 2g80 h VAL 84 Ca 0.43 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 2g80 h VAL 84 Cb 0.30 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 2g80 h VAL 84 CO -0.21 0.35 -0.09 0.00 0.02 0.00 0.00 177.57 177.63 2g80 h ALA 85 N 0.58 1.09 -0.14 1.67 0.00 -0.74 -2.74 119.26 118.98 2g80 h ALA 85 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2g80 h ALA 85 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2g80 h ALA 85 CO 0.02 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.47 2g80 n LYS 86 N -4.18 1.65 -3.46 0.00 5.02 0.59 -4.95 118.16 112.83 2g80 n LYS 86 Ca 0.01 -0.98 -0.18 0.00 -2.02 0.00 0.00 58.31 55.14 2g80 n LYS 86 Cb 0.34 -1.39 0.07 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.20 -3.02 -4.48 4.39 2.03 -0.99 -4.99 116.55 109.71 2g80 n ASP 87 Ca 0.16 -0.70 -0.36 0.00 0.52 0.00 0.00 54.79 54.41 2g80 n ASP 87 Cb 0.31 -4.83 -0.12 0.00 -0.72 0.00 0.00 41.12 35.75 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 -3.44 4.35 -0.12 5.18 1.01 0.34 -5.05 120.40 122.67 2g80 s VAL 88 Ca 0.12 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 2g80 s VAL 88 Cb -0.02 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2g80 s VAL 88 CO 0.76 0.37 1.00 -0.54 0.00 0.00 0.00 175.10 176.69 2g80 s LYS 89 N 1.35 4.40 -0.01 2.72 -0.14 -1.26 -4.69 119.74 122.12 2g80 s LYS 89 Ca 0.05 1.37 0.00 0.00 -1.36 0.00 0.00 55.97 56.04 2g80 s LYS 89 Cb -0.15 -3.55 0.01 0.00 -1.68 0.00 0.00 37.83 32.46 2g80 s LYS 89 CO 0.03 -0.35 -0.01 0.34 -0.76 0.00 0.00 175.35 174.61 2g80 s ASP 90 N 1.11 0.21 0.40 2.83 -1.08 -1.26 -5.07 116.67 113.81 2g80 s ASP 90 Ca 0.47 -0.02 0.15 0.00 -0.52 0.00 0.00 52.55 52.64 2g80 s ASP 90 Cb -0.18 -0.07 0.85 0.00 -1.46 0.00 0.00 42.92 42.06 2g80 s ASP 90 CO 0.16 -0.03 1.87 1.55 0.52 0.00 0.00 175.17 179.25 2g80 h PRO 91 N 6.53 0.00 0.13 4.34 0.13 -2.00 -2.07 132.00 139.06 2g80 h PRO 91 Ca -0.32 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.51 2g80 h PRO 91 Cb 1.18 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.34 2g80 h PRO 91 CO 0.50 0.32 -1.26 0.82 -0.23 0.00 0.00 178.00 178.14 2g80 h ILE 92 N 0.00 1.29 -0.59 -3.56 1.08 -1.96 -2.87 117.51 110.91 2g80 h ILE 92 Ca -0.00 -2.50 0.03 0.00 -0.39 0.00 0.00 64.86 62.00 2g80 h ILE 92 Cb 0.59 2.72 -0.04 0.00 -3.07 0.00 0.00 36.82 37.02 2g80 h ILE 92 CO 0.04 0.76 0.34 0.25 -0.69 0.00 0.00 178.15 178.85 2g80 h LEU 93 N 0.26 0.54 -0.40 1.44 5.85 -1.94 -0.85 115.31 120.21 2g80 h LEU 93 Ca -0.19 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.61 2g80 h LEU 93 Cb 1.94 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.80 2g80 h LEU 93 CO 0.24 0.38 0.05 0.50 -0.34 0.00 0.00 178.44 179.26 2g80 h LYS 94 N 0.67 0.16 -0.71 1.25 3.64 -1.36 0.20 116.57 120.43 2g80 h LYS 94 Ca 0.24 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2g80 h LYS 94 Cb 0.06 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2g80 h LYS 94 CO -0.12 0.11 0.43 1.96 -2.27 0.00 0.00 179.45 179.56 2g80 h GLN 95 N 0.17 0.96 -0.57 1.90 4.20 -1.24 -0.54 115.11 119.97 2g80 h GLN 95 Ca 0.20 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 2g80 h GLN 95 Cb 0.26 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2g80 h GLN 95 CO -0.29 0.67 0.11 1.25 -0.67 0.00 0.00 178.83 179.91 2g80 h LEU 96 N 0.97 0.90 -0.48 1.46 5.85 -0.52 -1.15 115.31 122.33 2g80 h LEU 96 Ca 0.25 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2g80 h LEU 96 Cb -0.04 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2g80 h LEU 96 CO -0.05 0.92 0.11 1.56 -0.34 0.00 0.00 178.44 180.65 2g80 h GLN 97 N 0.84 0.77 -0.54 1.25 4.20 -0.43 -1.82 115.11 119.40 2g80 h GLN 97 Ca 0.18 -0.19 0.06 0.00 0.06 0.00 0.00 58.65 58.76 2g80 h GLN 97 Cb 0.40 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 2g80 h GLN 97 CO 0.01 0.76 0.25 0.78 -0.67 0.00 0.00 178.83 179.95 2g80 h GLY 98 N 0.66 0.75 0.99 3.46 0.00 -0.97 -0.00 103.07 107.95 2g80 h GLY 98 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2g80 h GLY 98 CO 0.00 0.07 0.03 -1.82 0.00 0.00 0.00 176.54 174.83 2g80 h TYR 99 N 0.47 0.07 0.01 5.60 3.20 -1.03 -0.66 116.97 124.62 2g80 h TYR 99 Ca 0.25 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 2g80 h TYR 99 Cb 0.21 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2g80 h TYR 99 CO -0.12 0.06 -0.00 0.28 -1.64 0.00 0.00 178.16 176.73 2g80 h VAL 100 N 0.06 1.05 -0.41 1.81 2.07 -1.07 -2.38 116.25 117.38 2g80 h VAL 100 Ca 0.02 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2g80 h VAL 100 Cb 0.01 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2g80 h VAL 100 CO -0.00 0.05 0.05 -0.50 0.02 0.00 0.00 177.57 177.18 2g80 h TRP 101 N -0.09 0.75 -0.20 1.57 6.55 -1.03 -0.64 115.95 122.86 2g80 h TRP 101 Ca -0.00 -0.11 0.05 0.00 0.95 0.00 0.00 58.89 59.78 2g80 h TRP 101 Cb 0.08 -0.20 -0.05 0.00 -0.86 0.00 0.00 29.16 28.13 2g80 h TRP 101 CO -0.05 0.73 -0.14 0.00 -1.05 0.00 0.00 178.44 177.93 2g80 h ALA 102 N 0.92 0.01 -0.11 1.49 0.00 -1.08 0.11 119.26 120.59 2g80 h ALA 102 Ca 0.12 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2g80 h ALA 102 Cb 0.40 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2g80 h ALA 102 CO 0.01 -0.57 -0.20 0.45 0.00 0.00 0.00 179.25 178.95 2g80 h HIS 103 N -0.14 0.20 -0.02 0.00 3.86 -1.26 0.03 115.15 117.82 2g80 h HIS 103 Ca 0.12 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2g80 h HIS 103 Cb 0.31 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 2g80 h HIS 103 CO -0.29 0.38 -0.00 0.78 0.86 0.00 0.00 177.93 179.66 2g80 h GLY 104 N 0.83 0.03 0.96 2.45 0.00 -0.55 -1.35 103.07 105.44 2g80 h GLY 104 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2g80 h GLY 104 CO 0.03 0.02 -0.15 -0.97 0.00 0.00 0.00 176.54 175.47 2g80 h TYR 105 N -0.33 -0.39 -0.74 5.60 0.05 -0.87 0.17 116.97 120.45 2g80 h TYR 105 Ca 0.00 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.85 2g80 h TYR 105 Cb 0.38 0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.19 2g80 h TYR 105 CO 0.05 -0.24 0.42 0.93 -1.05 0.00 0.00 178.16 178.28 2g80 h GLU 106 N -0.40 0.73 0.00 4.88 5.08 -1.02 -1.83 114.58 122.02 2g80 h GLU 106 Ca -0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2g80 h GLU 106 Cb 0.32 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2g80 h GLU 106 CO 0.04 0.48 0.00 -1.13 -1.00 0.00 0.00 179.01 177.41 2g80 n SER 107 N -4.75 0.00 0.00 1.42 3.41 -0.51 -4.91 113.62 108.28 2g80 n SER 107 Ca 0.11 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 2g80 n SER 107 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.82 0.36 0.17 5.00 0.00 -0.69 -4.91 105.19 105.94 2g80 n GLY 108 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 0.73 0.00 -5.08 1.61 4.20 -0.91 -3.44 115.11 112.22 2g80 h GLN 109 Ca 0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 2g80 h GLN 109 Cb 0.28 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.83 2g80 h GLN 109 CO 0.00 0.46 -0.77 0.96 -0.67 0.00 0.00 178.83 178.80 2g80 s ILE 110 N -3.92 0.93 -0.03 2.54 -4.36 -1.09 -5.00 121.20 110.28 2g80 s ILE 110 Ca -0.02 -1.01 -0.02 0.00 -0.26 0.00 0.00 60.65 59.34 2g80 s ILE 110 Cb 0.13 -0.88 0.01 0.00 1.25 0.00 0.00 42.46 42.98 2g80 s ILE 110 CO 0.73 -0.11 0.08 -0.54 0.24 0.00 0.00 174.94 175.34 2g80 s LYS 111 N -1.26 0.07 -0.17 0.37 1.02 -1.26 -4.31 119.74 114.21 2g80 s LYS 111 Ca -0.01 0.14 -0.25 0.00 0.02 0.00 0.00 55.97 55.87 2g80 s LYS 111 Cb -0.08 -0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.20 2g80 s LYS 111 CO 0.01 -0.04 0.81 0.00 -0.92 0.00 0.00 175.35 175.20 2g80 s ALA 112 N 0.28 3.51 -1.04 5.17 0.00 -0.17 -4.75 121.76 124.75 2g80 s ALA 112 Ca -0.02 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 2g80 s ALA 112 Cb -0.03 -3.19 0.09 0.00 0.00 0.00 0.00 23.12 19.98 2g80 s ALA 112 CO -0.01 -0.61 1.39 -1.25 0.00 0.00 0.00 175.76 175.28 2g80 s PRO 113 N 2.05 3.69 -0.13 0.00 0.04 -1.26 -0.41 135.00 138.97 2g80 s PRO 113 Ca 0.37 -1.55 -0.14 0.00 0.04 0.00 0.00 61.00 59.73 2g80 s PRO 113 Cb -0.17 -5.23 -0.05 0.00 0.04 0.00 0.00 34.50 29.10 2g80 s PRO 113 CO 0.13 -2.05 0.32 0.08 0.04 0.00 0.00 177.00 175.51 2g80 s VAL 114 N 3.91 5.27 0.38 -0.36 1.01 -1.26 -4.09 120.40 125.26 2g80 s VAL 114 Ca 0.43 0.61 -0.28 0.00 0.00 0.00 0.00 61.98 62.74 2g80 s VAL 114 Cb -0.01 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 2g80 s VAL 114 CO -0.07 0.43 1.42 -1.22 0.00 0.00 0.00 175.10 175.66 2g80 n TYR 115 N 3.20 2.74 -0.28 5.22 4.01 -0.43 -4.81 117.16 126.80 2g80 n TYR 115 Ca -0.12 0.47 0.05 0.00 -0.16 0.00 0.00 57.90 58.14 2g80 n TYR 115 Cb 0.52 -2.49 0.19 0.00 -0.31 0.00 0.00 39.34 37.26 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 2.72 1.18 0.00 -0.72 0.00 -1.96 -1.07 119.26 119.40 2g80 h ALA 116 Ca -0.49 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2g80 h ALA 116 Cb 1.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2g80 h ALA 116 CO 0.63 -0.06 -0.42 0.38 0.00 0.00 0.00 179.25 179.77 2g80 h ASP 117 N 0.63 0.00 -0.10 0.00 2.03 -1.99 -1.45 116.42 115.54 2g80 h ASP 117 Ca 0.43 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.54 2g80 h ASP 117 Cb 0.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 2g80 h ASP 117 CO -0.33 0.42 -0.63 0.00 -1.03 0.00 0.00 179.24 177.67 2g80 h ALA 118 N 1.58 0.51 0.50 4.15 0.00 -1.61 -1.55 119.26 122.83 2g80 h ALA 118 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2g80 h ALA 118 Cb 0.79 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2g80 h ALA 118 CO 0.05 0.69 -0.31 0.82 0.00 0.00 0.00 179.25 180.51 2g80 h ILE 119 N 0.53 0.36 -0.86 0.00 2.04 -1.04 0.07 117.51 118.60 2g80 h ILE 119 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2g80 h ILE 119 Cb 1.22 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 2g80 h ILE 119 CO 0.13 0.00 0.51 0.44 0.00 0.00 0.00 178.15 179.22 2g80 h ASP 120 N -0.77 0.74 0.60 1.72 3.32 -1.32 -1.41 116.42 119.29 2g80 h ASP 120 Ca -0.06 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2g80 h ASP 120 Cb 0.63 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 2g80 h ASP 120 CO 0.06 0.42 -0.33 0.15 -1.72 0.00 0.00 179.24 177.81 2g80 h PHE 121 N 0.85 -0.88 -0.86 4.55 3.04 -1.05 -2.94 116.94 119.65 2g80 h PHE 121 Ca 0.41 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.52 2g80 h PHE 121 Cb 0.36 0.30 -0.11 0.00 2.56 0.00 0.00 35.95 39.07 2g80 h PHE 121 CO -0.05 -0.52 0.41 0.82 -2.02 0.00 0.00 178.31 176.95 2g80 h ILE 122 N -0.87 0.63 0.00 1.41 2.04 -0.66 -1.91 117.51 118.15 2g80 h ILE 122 Ca -0.08 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2g80 h ILE 122 Cb 0.69 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2g80 h ILE 122 CO 0.10 0.10 0.00 0.29 0.00 0.00 0.00 178.15 178.64 2g80 n LYS 123 N -4.95 0.30 0.00 2.37 5.02 -0.56 -3.82 118.16 116.52 2g80 n LYS 123 Ca 0.19 0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.59 2g80 n LYS 123 Cb 0.51 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 2g80 n LYS 123 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2g80 n ARG 124 N -1.27 -0.43 -4.83 1.97 0.63 -0.72 -5.03 116.66 106.98 2g80 n ARG 124 Ca 0.10 -0.65 -0.33 0.00 -0.92 0.00 0.00 57.85 56.05 2g80 n ARG 124 Cb 0.15 -1.04 -0.13 0.00 0.45 0.00 0.00 32.46 31.89 2g80 n ARG 124 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2g80 s LYS 125 N -0.26 2.59 0.17 -0.14 -0.14 -1.21 -5.04 119.74 115.71 2g80 s LYS 125 Ca 0.03 -0.66 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 2g80 s LYS 125 Cb 0.02 -2.43 0.07 0.00 -1.68 0.00 0.00 37.83 33.81 2g80 s LYS 125 CO 0.04 0.61 1.72 -0.22 -0.76 0.00 0.00 175.35 176.74 2g80 h LYS 126 N 5.38 0.88 -4.05 1.68 3.64 -1.92 -3.41 116.57 118.78 2g80 h LYS 126 Ca -0.46 -0.17 -0.60 0.00 -1.27 0.00 0.00 60.65 58.15 2g80 h LYS 126 Cb 1.16 -0.14 -0.39 0.00 -0.41 0.00 0.00 32.23 32.45 2g80 h LYS 126 CO 0.51 0.77 -0.76 1.03 -2.27 0.00 0.00 179.45 178.72 2g80 s ARG 127 N -5.50 1.19 -0.15 1.90 0.52 -1.26 -4.96 118.95 110.70 2g80 s ARG 127 Ca -0.13 -1.06 0.01 0.00 -0.52 0.00 0.00 55.73 54.03 2g80 s ARG 127 Cb 0.13 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.16 2g80 s ARG 127 CO 0.80 -0.77 -0.18 0.08 0.02 0.00 0.00 175.30 175.25 2g80 s VAL 128 N 1.46 2.45 -0.01 3.52 1.01 -1.26 -1.36 120.40 126.21 2g80 s VAL 128 Ca 0.02 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.20 2g80 s VAL 128 Cb -0.18 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2g80 s VAL 128 CO -0.12 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 174.99 2g80 s PHE 129 N 0.79 1.42 -0.08 5.22 0.08 -0.33 -0.08 117.98 125.01 2g80 s PHE 129 Ca -0.06 -0.28 -0.02 0.00 0.12 0.00 0.00 56.93 56.69 2g80 s PHE 129 Cb -0.15 -0.91 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 2g80 s PHE 129 CO -0.00 -0.02 0.01 0.42 -0.10 0.00 0.00 175.22 175.53 2g80 s ILE 130 N -0.41 4.34 -0.19 0.64 -1.09 -0.50 -0.43 121.20 123.56 2g80 s ILE 130 Ca 0.06 -0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.18 2g80 s ILE 130 Cb -0.06 -2.84 0.06 0.00 -1.58 0.00 0.00 42.46 38.04 2g80 s ILE 130 CO -0.00 0.58 0.04 -0.47 -1.23 0.00 0.00 174.94 173.85 2g80 s TYR 131 N -0.92 0.98 0.21 3.97 5.04 -0.19 0.08 117.35 126.53 2g80 s TYR 131 Ca 0.14 -0.83 0.01 0.00 -2.44 0.00 0.00 57.07 53.94 2g80 s TYR 131 Cb -0.11 -1.01 -0.05 0.00 0.35 0.00 0.00 41.96 41.14 2g80 s TYR 131 CO 0.03 -0.61 0.08 0.45 -1.34 0.00 0.00 175.55 174.17 2g80 s SER 132 N 1.87 0.84 0.29 4.32 0.15 -0.91 -4.05 113.70 116.21 2g80 s SER 132 Ca -0.01 -1.33 0.15 0.00 0.70 0.00 0.00 55.95 55.47 2g80 s SER 132 Cb -0.17 0.22 0.24 0.00 -1.71 0.00 0.00 66.02 64.61 2g80 s SER 132 CO -0.08 -0.73 1.52 0.77 1.20 0.00 0.00 173.24 175.92 2g80 h SER 133 N 2.55 0.00 -4.28 5.45 4.64 -1.96 -3.34 113.55 116.61 2g80 h SER 133 Ca -0.37 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.43 2g80 h SER 133 Cb 1.23 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.49 2g80 h SER 133 CO 0.59 0.52 0.28 -0.83 -0.87 0.00 0.00 176.83 176.52 2g80 s GLY 134 N -4.46 1.74 0.47 -0.77 0.00 -1.26 -4.52 107.32 98.53 2g80 s GLY 134 Ca 0.02 0.49 -0.23 0.00 0.00 0.00 0.00 44.72 45.00 2g80 s GLY 134 CO 0.73 0.87 1.20 -1.35 0.00 0.00 0.00 173.10 174.55 2g80 s SER 135 N -2.91 6.06 0.35 1.64 1.04 -1.26 -4.66 113.70 113.97 2g80 s SER 135 Ca 0.65 2.38 0.11 0.00 0.48 0.00 0.00 55.95 59.57 2g80 s SER 135 Cb -0.21 -2.61 0.88 0.00 0.10 0.00 0.00 66.02 64.18 2g80 s SER 135 CO 0.56 -1.00 1.81 -0.37 0.98 0.00 0.00 173.24 175.22 2g80 h VAL 136 N 1.85 0.70 -0.53 5.02 -1.51 -1.92 0.67 116.25 120.52 2g80 h VAL 136 Ca -0.50 -0.22 -0.04 0.00 -1.23 0.00 0.00 66.70 64.72 2g80 h VAL 136 Cb 1.25 0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.41 2g80 h VAL 136 CO 0.60 0.11 0.18 0.50 -1.23 0.00 0.00 177.57 177.73 2g80 h LYS 137 N 0.63 0.82 -0.48 5.19 3.64 -1.99 -0.50 116.57 123.88 2g80 h LYS 137 Ca 0.54 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.67 2g80 h LYS 137 Cb 1.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 2g80 h LYS 137 CO -0.29 0.74 -0.00 0.00 -2.27 0.00 0.00 179.45 177.63 2g80 h ALA 138 N 1.04 0.65 -0.44 5.00 0.00 -1.42 -1.99 119.26 122.10 2g80 h ALA 138 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2g80 h ALA 138 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2g80 h ALA 138 CO -0.01 0.45 0.27 1.96 0.00 0.00 0.00 179.25 181.92 2g80 h GLN 139 N 0.70 0.53 -0.50 0.00 4.20 -0.85 -1.90 115.11 117.29 2g80 h GLN 139 Ca 0.14 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2g80 h GLN 139 Cb 0.51 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2g80 h GLN 139 CO 0.02 0.35 0.18 -0.22 -0.67 0.00 0.00 178.83 178.50 2g80 h LYS 140 N 0.55 0.76 -0.46 1.46 3.64 -0.97 -2.66 116.57 118.89 2g80 h LYS 140 Ca 0.17 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2g80 h LYS 140 Cb -0.01 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2g80 h LYS 140 CO -0.07 0.70 0.22 -0.07 -2.27 0.00 0.00 179.45 177.96 2g80 h LEU 141 N 0.67 0.30 -0.46 5.20 3.38 -1.25 -1.35 115.31 121.80 2g80 h LEU 141 Ca 0.16 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.25 2g80 h LEU 141 Cb 0.23 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 2g80 h LEU 141 CO -0.01 0.21 0.01 0.25 0.09 0.00 0.00 178.44 179.00 2g80 h LEU 142 N 0.44 -0.16 -0.22 1.67 6.46 -1.18 -1.54 115.31 120.78 2g80 h LEU 142 Ca 0.21 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 2g80 h LEU 142 Cb 0.13 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2g80 h LEU 142 CO -0.16 -0.05 0.00 0.49 -0.62 0.00 0.00 178.44 178.10 2g80 n PHE 143 N -5.20 0.49 1.07 1.25 3.72 -1.00 -3.03 117.46 114.76 2g80 n PHE 143 Ca 0.04 0.17 0.13 0.00 -0.05 0.00 0.00 57.45 57.74 2g80 n PHE 143 Cb 0.24 -0.77 0.36 0.00 -0.94 0.00 0.00 39.48 38.36 2g80 n PHE 143 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g80 n GLY 144 N 0.63 -1.18 2.32 1.37 0.00 -0.54 -0.10 105.19 107.69 2g80 n GLY 144 Ca 0.04 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 2g80 n GLY 144 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2g80 n TYR 145 N -1.34 -0.62 -3.15 1.61 4.01 -1.13 -4.00 117.16 112.54 2g80 n TYR 145 Ca 0.07 -3.38 -0.39 0.00 -0.16 0.00 0.00 57.90 54.05 2g80 n TYR 145 Cb 0.33 0.09 -0.05 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.68 5.10 0.18 -0.72 1.01 -0.02 -1.00 120.40 123.27 2g80 s VAL 146 Ca 0.35 1.25 -0.33 0.00 0.00 0.00 0.00 61.98 63.26 2g80 s VAL 146 Cb 0.32 -3.95 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 2g80 s VAL 146 CO -0.08 0.28 1.61 1.67 0.00 0.00 0.00 175.10 178.58 2g80 n GLN 147 N 3.75 2.33 -2.67 2.72 7.27 0.45 0.85 117.38 132.08 2g80 n GLN 147 Ca -0.03 0.84 -0.43 0.00 0.07 0.00 0.00 57.00 57.45 2g80 n GLN 147 Cb 0.51 -2.63 -0.02 0.00 2.41 0.00 0.00 30.24 30.51 2g80 n GLN 147 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2g80 s ASP 148 N 0.96 6.84 0.55 1.69 -1.08 -1.26 -4.67 116.67 119.71 2g80 s ASP 148 Ca 0.77 0.88 0.23 0.00 -0.52 0.00 0.00 52.55 53.91 2g80 s ASP 148 Cb -0.63 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 39.79 2g80 s ASP 148 CO 0.37 -0.92 2.13 -0.65 0.52 0.00 0.00 175.17 176.61 2g80 h PRO 149 N 8.32 0.00 -0.00 4.34 0.11 -1.92 -0.19 132.00 142.66 2g80 h PRO 149 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2g80 h PRO 149 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2g80 h PRO 149 CO 1.03 0.00 -0.25 0.09 -0.21 0.00 0.00 178.00 178.66 2g80 n ASN 150 N -4.22 0.46 -2.73 -2.05 3.02 -1.26 -4.49 115.26 103.99 2g80 n ASN 150 Ca 0.00 -0.27 -0.08 0.00 -0.03 0.00 0.00 54.58 54.20 2g80 n ASN 150 Cb 0.23 -0.01 0.08 0.00 -0.61 0.00 0.00 39.78 39.46 2g80 n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g80 n ALA 151 N -1.23 -1.23 -0.37 5.41 0.00 -0.50 -5.06 120.51 117.52 2g80 n ALA 151 Ca 0.09 -1.35 0.04 0.00 0.00 0.00 0.00 53.44 52.23 2g80 n ALA 151 Cb 0.32 -1.39 0.20 0.00 0.00 0.00 0.00 19.45 18.57 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 3.33 1.09 0.00 0.00 0.11 -1.31 -1.51 132.00 133.71 2g80 h PRO 152 Ca -0.13 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2g80 h PRO 152 Cb 1.08 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2g80 h PRO 152 CO 0.19 0.72 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 2g80 n ALA 153 N -2.36 2.11 -2.38 -0.75 0.00 -1.26 -4.58 120.51 111.28 2g80 n ALA 153 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2g80 n ALA 153 Cb 0.24 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.33 -0.21 -1.64 0.00 8.25 -0.57 -5.06 115.22 114.66 2g80 n HIS 154 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 2g80 n HIS 154 Cb 0.19 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.24 1.64 -4.81 0.41 8.00 -1.26 -4.83 116.55 115.46 2g80 n ASP 155 Ca 0.00 1.05 -0.29 0.00 0.71 0.00 0.00 54.79 56.26 2g80 n ASP 155 Cb 0.00 -1.40 0.11 0.00 -0.02 0.00 0.00 41.12 39.81 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 -0.69 4.10 -0.02 -2.24 1.04 -1.26 -4.25 113.70 110.37 2g80 s SER 156 Ca 0.63 1.12 0.01 0.00 0.48 0.00 0.00 55.95 58.19 2g80 s SER 156 Cb -0.54 -1.77 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 2g80 s SER 156 CO 0.57 -2.20 -0.02 -0.76 0.98 0.00 0.00 173.24 171.81 2g80 s LEU 157 N -5.86 3.43 -0.36 2.42 1.43 0.25 -4.85 118.68 115.14 2g80 s LEU 157 Ca 0.62 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 2g80 s LEU 157 Cb -0.14 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2g80 s LEU 157 CO 0.53 0.31 0.21 -0.62 0.23 0.00 0.00 176.35 177.02 2g80 s ASP 158 N -1.32 5.79 0.00 2.29 -1.08 -1.26 -0.84 116.67 120.25 2g80 s ASP 158 Ca 0.17 -0.80 0.19 0.00 -0.52 0.00 0.00 52.55 51.59 2g80 s ASP 158 Cb -0.11 -2.05 0.47 0.00 -1.46 0.00 0.00 42.92 39.76 2g80 s ASP 158 CO 0.07 -0.33 1.39 0.18 0.52 0.00 0.00 175.17 177.00 2g80 n LEU 159 N 5.03 3.46 0.06 -1.34 4.77 0.85 -4.70 117.00 125.13 2g80 n LEU 159 Ca -0.12 -1.82 0.06 0.00 -0.03 0.00 0.00 56.01 54.10 2g80 n LEU 159 Cb 0.47 -0.34 0.49 0.00 -2.33 0.00 0.00 43.42 41.72 2g80 n LEU 159 CO 0.37 0.83 1.14 0.78 -1.33 0.00 0.00 177.39 179.17 2g80 h ASN 160 N 3.63 0.33 0.85 -1.43 2.35 -1.90 -2.10 115.58 117.30 2g80 h ASN 160 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2g80 h ASN 160 Cb 0.89 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2g80 h ASN 160 CO 0.00 0.23 0.00 0.77 -1.65 0.00 0.00 177.43 176.78 2g80 h SER 161 N 0.39 0.00 0.70 5.81 4.64 -1.94 -2.77 113.55 120.38 2g80 h SER 161 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2g80 h SER 161 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2g80 h SER 161 CO -0.03 0.00 -0.71 -1.22 -0.87 0.00 0.00 176.83 174.01 2g80 n TYR 162 N -2.43 0.40 -4.05 4.77 4.01 -0.79 -4.90 117.16 114.16 2g80 n TYR 162 Ca 0.02 0.12 -0.35 0.00 -0.16 0.00 0.00 57.90 57.53 2g80 n TYR 162 Cb 0.26 -0.54 -0.09 0.00 -0.31 0.00 0.00 39.34 38.66 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 -3.15 4.81 -0.14 -0.72 1.01 -1.05 -4.50 121.20 117.46 2g80 s ILE 163 Ca 0.06 -0.04 0.22 0.00 0.00 0.00 0.00 60.65 60.89 2g80 s ILE 163 Cb 0.14 -3.13 -0.16 0.00 0.01 0.00 0.00 42.46 39.32 2g80 s ILE 163 CO 0.74 0.51 0.76 0.47 0.00 0.00 0.00 174.94 177.42 2g80 n ASP 164 N 3.07 0.46 -3.61 3.58 8.00 0.88 -4.97 116.55 123.96 2g80 n ASP 164 Ca -0.17 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 2g80 n ASP 164 Cb 0.53 1.12 -0.01 0.00 -0.02 0.00 0.00 41.12 42.73 2g80 n ASP 164 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2g80 s GLY 165 N -4.49 -0.30 -0.01 0.44 0.00 -1.22 -5.02 107.32 96.72 2g80 s GLY 165 Ca -0.04 1.51 0.04 0.00 0.00 0.00 0.00 44.72 46.23 2g80 s GLY 165 CO 0.84 0.46 -0.12 -0.19 0.00 0.00 0.00 173.10 174.10 2g80 s TYR 166 N -2.19 1.09 0.03 1.90 1.51 -1.26 -1.41 117.35 117.03 2g80 s TYR 166 Ca 0.12 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 56.00 2g80 s TYR 166 Cb 0.01 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 2g80 s TYR 166 CO -0.04 -0.01 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.20 2g80 s PHE 167 N -0.34 1.14 0.20 2.71 0.08 0.11 -4.94 117.98 116.94 2g80 s PHE 167 Ca 0.04 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.79 2g80 s PHE 167 Cb -0.05 -0.68 -0.01 0.00 -0.57 0.00 0.00 43.02 41.71 2g80 s PHE 167 CO -0.00 0.02 0.11 -0.40 -0.10 0.00 0.00 175.22 174.85 2g80 n ASP 168 N 2.00 0.42 0.05 1.36 5.68 -1.26 -2.15 116.55 122.65 2g80 n ASP 168 Ca -0.18 -2.17 -0.03 0.00 -0.50 0.00 0.00 54.79 51.92 2g80 n ASP 168 Cb 0.55 0.71 0.22 0.00 -1.14 0.00 0.00 41.12 41.46 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 1.46 1.27 -0.39 2.12 2.04 -1.73 -1.19 117.51 121.09 2g80 h ILE 169 Ca -0.15 -1.31 -0.13 0.00 1.00 0.00 0.00 64.86 64.27 2g80 h ILE 169 Cb 0.65 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2g80 h ILE 169 CO 0.23 0.41 -0.27 0.78 0.00 0.00 0.00 178.15 179.29 2g80 h ASN 170 N 0.34 0.92 0.57 1.72 -0.26 -1.93 0.31 115.58 117.25 2g80 h ASN 170 Ca 0.05 -0.43 -0.22 0.00 -0.56 0.00 0.00 56.30 55.13 2g80 h ASN 170 Cb 0.69 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 2g80 h ASN 170 CO 0.05 1.16 -0.97 0.71 -1.06 0.00 0.00 177.43 177.32 2g80 h THR 171 N 0.69 1.49 0.00 2.81 1.35 -1.95 -3.42 112.91 113.89 2g80 h THR 171 Ca 0.08 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 2g80 h THR 171 Cb 0.85 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 2g80 h THR 171 CO 0.07 0.80 -0.77 -1.20 -0.25 0.00 0.00 175.52 174.17 2g80 n SER 172 N -3.63 3.86 0.00 5.36 7.64 -0.46 -4.96 113.62 121.43 2g80 n SER 172 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2g80 n SER 172 Cb 0.87 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 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 2.35 -0.42 3.77 0.23 0.00 0.10 -4.12 105.19 107.10 2g80 n GLY 173 Ca 0.00 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.54 4.04 0.26 1.61 1.02 -1.26 -4.19 119.74 120.68 2g80 s LYS 174 Ca 0.00 2.31 0.23 0.00 0.02 0.00 0.00 55.97 58.53 2g80 s LYS 174 Cb 0.00 -2.86 1.00 0.00 -0.52 0.00 0.00 37.83 35.45 2g80 s LYS 174 CO 0.00 -0.48 1.70 1.63 -0.92 0.00 0.00 175.35 177.28 2g80 n LYS 175 N 0.30 0.19 -0.37 1.68 5.02 -1.26 -2.44 118.16 121.28 2g80 n LYS 175 Ca 0.02 0.44 0.11 0.00 -2.02 0.00 0.00 58.31 56.87 2g80 n LYS 175 Cb 0.42 -1.88 0.31 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.24 0.99 -4.29 -0.18 -2.24 -1.26 -4.43 114.28 100.63 2g80 n THR 176 Ca 0.02 -0.94 -0.34 0.00 -2.27 0.00 0.00 64.05 60.52 2g80 n THR 176 Cb 0.21 0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.13 3.72 0.39 -0.78 0.41 -1.02 -4.68 118.70 115.60 2g80 s GLU 177 Ca 0.47 -0.49 0.07 0.00 -0.41 0.00 0.00 54.97 54.60 2g80 s GLU 177 Cb 0.25 -2.99 0.82 0.00 -1.78 0.00 0.00 34.13 30.43 2g80 s GLU 177 CO 0.31 0.22 2.03 1.15 -0.49 0.00 0.00 175.26 178.47 2g80 h THR 178 N 5.13 1.08 -0.19 3.63 2.02 -1.88 -2.84 112.91 119.86 2g80 h THR 178 Ca -0.33 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 2g80 h THR 178 Cb 1.19 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2g80 h THR 178 CO 0.64 0.11 0.11 -0.61 0.37 0.00 0.00 175.52 176.15 2g80 h GLN 179 N 0.63 0.25 -0.65 6.66 5.75 -1.94 -2.11 115.11 123.69 2g80 h GLN 179 Ca 0.20 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 2g80 h GLN 179 Cb 0.04 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2g80 h GLN 179 CO -0.05 0.18 0.37 0.77 -2.65 0.00 0.00 178.83 177.45 2g80 h SER 180 N 0.26 0.79 0.18 -0.69 0.02 -1.65 -0.25 113.55 112.20 2g80 h SER 180 Ca 0.07 -0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 2g80 h SER 180 Cb -0.01 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2g80 h SER 180 CO -0.01 0.63 -0.79 1.88 -1.14 0.00 0.00 176.83 177.40 2g80 h TYR 181 N 0.91 0.68 -0.83 3.45 0.05 -1.52 -1.68 116.97 118.02 2g80 h TYR 181 Ca 0.23 -0.32 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 2g80 h TYR 181 Cb 0.00 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.60 2g80 h TYR 181 CO 0.00 1.10 0.50 0.00 -1.05 0.00 0.00 178.16 178.72 2g80 h ALA 182 N 0.81 1.06 0.19 3.88 0.00 -1.09 0.23 119.26 124.34 2g80 h ALA 182 Ca -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2g80 h ALA 182 Cb 1.38 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2g80 h ALA 182 CO 0.14 0.53 -0.09 -0.91 0.00 0.00 0.00 179.25 178.92 2g80 h ASN 183 N 1.15 -0.22 -0.40 0.00 2.35 -0.92 -1.70 115.58 115.85 2g80 h ASN 183 Ca 0.30 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 56.06 2g80 h ASN 183 Cb -0.04 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.33 2g80 h ASN 183 CO -0.06 -0.09 0.05 0.40 -1.65 0.00 0.00 177.43 176.08 2g80 h ILE 184 N -0.34 0.76 -0.59 2.81 2.04 -1.17 -1.32 117.51 119.69 2g80 h ILE 184 Ca -0.03 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2g80 h ILE 184 Cb 0.26 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2g80 h ILE 184 CO 0.04 0.03 0.31 0.25 0.00 0.00 0.00 178.15 178.79 2g80 h LEU 185 N 0.17 0.73 -0.31 1.44 5.85 -0.86 0.17 115.31 122.50 2g80 h LEU 185 Ca 0.19 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 2g80 h LEU 185 Cb 0.25 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2g80 h LEU 185 CO -0.28 0.60 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.11 2g80 h ARG 186 N 0.83 0.70 -0.30 1.25 9.65 -0.97 0.33 114.38 125.87 2g80 h ARG 186 Ca 0.21 -0.34 -0.02 0.00 -1.10 0.00 0.00 59.98 58.73 2g80 h ARG 186 Cb 0.04 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 2g80 h ARG 186 CO -0.03 0.95 0.10 -0.44 2.80 0.00 0.00 179.97 183.35 2g80 h ASP 187 N 0.46 0.42 -0.13 -3.80 3.32 -0.28 -2.85 116.42 113.57 2g80 h ASP 187 Ca 0.06 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 2g80 h ASP 187 Cb 0.78 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 2g80 h ASP 187 CO 0.06 0.50 -0.17 0.40 -1.72 0.00 0.00 179.24 178.31 2g80 h ILE 188 N 0.32 1.25 -3.22 0.35 1.08 -0.75 -3.48 117.51 113.06 2g80 h ILE 188 Ca 0.10 -1.14 -0.15 0.00 -0.39 0.00 0.00 64.86 63.27 2g80 h ILE 188 Cb 0.22 1.21 0.06 0.00 -3.07 0.00 0.00 36.82 35.25 2g80 h ILE 188 CO -0.00 0.37 -0.30 0.61 -0.69 0.00 0.00 178.15 178.14 2g80 n GLY 189 N -0.50 0.24 3.48 5.37 0.00 0.07 -5.06 105.19 108.78 2g80 n GLY 189 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.14 2.71 0.22 4.61 0.00 -0.99 -5.05 121.76 120.13 2g80 s ALA 190 Ca 0.14 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 2g80 s ALA 190 Cb -0.06 -0.42 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 2g80 s ALA 190 CO 0.30 0.39 0.87 0.15 0.00 0.00 0.00 175.76 177.48 2g80 s LYS 191 N -2.97 4.69 0.27 0.00 3.01 -1.26 -4.80 119.74 118.69 2g80 s LYS 191 Ca 0.24 1.32 0.00 0.00 -1.01 0.00 0.00 55.97 56.53 2g80 s LYS 191 Cb -0.07 -3.19 0.56 0.00 -1.01 0.00 0.00 37.83 34.11 2g80 s LYS 191 CO 0.13 0.50 1.79 0.00 0.51 0.00 0.00 175.35 178.28 2g80 h ALA 192 N 4.05 1.39 0.00 5.17 0.00 -1.89 -1.33 119.26 126.65 2g80 h ALA 192 Ca -0.46 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2g80 h ALA 192 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2g80 h ALA 192 CO 0.67 0.02 -0.01 0.66 0.00 0.00 0.00 179.25 180.60 2g80 h SER 193 N 0.77 0.00 0.22 0.00 4.64 -1.89 -2.48 113.55 114.80 2g80 h SER 193 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2g80 h SER 193 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2g80 h SER 193 CO -0.33 0.01 -0.17 -0.62 -0.87 0.00 0.00 176.83 174.85 2g80 n GLU 194 N -3.12 0.95 -4.48 4.77 1.02 -0.50 -4.89 120.64 114.38 2g80 n GLU 194 Ca -0.02 -0.50 -0.34 0.00 -0.02 0.00 0.00 57.16 56.28 2g80 n GLU 194 Cb 0.16 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.40 4.00 -0.15 2.62 1.01 -0.93 -2.07 120.40 122.48 2g80 s VAL 195 Ca 0.28 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2g80 s VAL 195 Cb 0.20 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 2g80 s VAL 195 CO 0.47 0.59 -0.16 -0.22 0.00 0.00 0.00 175.10 175.78 2g80 s LEU 196 N -0.67 2.45 -0.22 3.92 2.96 -0.88 -1.72 118.68 124.53 2g80 s LEU 196 Ca 0.10 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2g80 s LEU 196 Cb -0.12 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 2g80 s LEU 196 CO 0.02 0.10 0.03 0.12 -1.32 0.00 0.00 176.35 175.31 2g80 s PHE 197 N 0.70 3.07 -0.21 5.38 5.36 0.64 -0.91 117.98 132.01 2g80 s PHE 197 Ca -0.07 -0.42 -0.05 0.00 -0.96 0.00 0.00 56.93 55.43 2g80 s PHE 197 Cb -0.16 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.36 2g80 s PHE 197 CO 0.02 -0.27 -0.02 -0.51 -1.46 0.00 0.00 175.22 172.98 2g80 s LEU 198 N 1.22 3.10 0.09 6.12 1.43 -0.16 -1.53 118.68 128.96 2g80 s LEU 198 Ca 0.04 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 2g80 s LEU 198 Cb -0.15 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.30 2g80 s LEU 198 CO 0.02 0.02 0.30 -0.55 0.23 0.00 0.00 176.35 176.37 2g80 s SER 199 N 1.23 -0.07 0.03 2.29 0.15 -1.12 -1.39 113.70 114.83 2g80 s SER 199 Ca 0.03 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 56.51 2g80 s SER 199 Cb -0.15 0.40 0.33 0.00 -1.71 0.00 0.00 66.02 64.89 2g80 s SER 199 CO 0.00 -0.75 1.28 -0.90 1.20 0.00 0.00 173.24 174.07 2g80 n ASP 200 N 0.02 0.60 -4.53 5.45 5.75 -1.26 -0.48 116.55 122.10 2g80 n ASP 200 Ca -0.16 -0.22 -0.41 0.00 -0.01 0.00 0.00 54.79 53.99 2g80 n ASP 200 Cb 0.62 0.40 -0.09 0.00 -1.03 0.00 0.00 41.12 41.02 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 -3.45 6.20 0.52 -1.12 3.84 -1.26 -4.82 114.94 114.86 2g80 s ASN 201 Ca 0.08 -0.33 0.18 0.00 0.21 0.00 0.00 52.86 53.00 2g80 s ASN 201 Cb 0.16 -2.21 1.30 0.00 -0.55 0.00 0.00 41.25 39.94 2g80 s ASN 201 CO 0.74 -0.43 2.13 1.55 -2.79 0.00 0.00 177.10 178.30 2g80 h PRO 202 N 8.54 0.00 -0.19 0.43 0.13 -1.99 -2.14 132.00 136.78 2g80 h PRO 202 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2g80 h PRO 202 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2g80 h PRO 202 CO 0.73 0.00 -0.23 -0.07 -0.23 0.00 0.00 178.00 178.20 2g80 h LEU 203 N 0.00 0.33 -0.32 1.56 3.38 -1.97 0.40 115.31 118.69 2g80 h LEU 203 Ca 0.03 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2g80 h LEU 203 Cb 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2g80 h LEU 203 CO -0.00 0.58 -0.54 -0.33 0.09 0.00 0.00 178.44 178.23 2g80 h GLU 204 N 0.31 0.86 -0.42 1.13 5.08 -1.61 -2.85 114.58 117.07 2g80 h GLU 204 Ca 0.05 -0.54 -0.12 0.00 -1.00 0.00 0.00 59.36 57.75 2g80 h GLU 204 Cb 0.58 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2g80 h GLU 204 CO 0.04 1.17 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.95 2g80 h LEU 205 N 0.66 0.85 -0.69 1.33 3.38 -1.11 -2.48 115.31 117.25 2g80 h LEU 205 Ca 0.02 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2g80 h LEU 205 Cb 1.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2g80 h LEU 205 CO 0.12 1.03 0.42 0.44 0.09 0.00 0.00 178.44 180.53 2g80 h ASP 206 N 0.73 0.83 0.02 -0.43 3.32 -0.93 -1.07 116.42 118.89 2g80 h ASP 206 Ca 0.10 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2g80 h ASP 206 Cb 0.73 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2g80 h ASP 206 CO 0.06 0.65 -0.05 0.00 -1.72 0.00 0.00 179.24 178.18 2g80 h ALA 207 N 1.22 -0.07 -0.65 3.45 0.00 -1.43 -2.79 119.26 118.99 2g80 h ALA 207 Ca 0.25 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2g80 h ALA 207 Cb -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2g80 h ALA 207 CO -0.05 -0.55 0.42 0.00 0.00 0.00 0.00 179.25 179.08 2g80 h ALA 208 N 0.88 0.82 0.00 0.00 0.00 -1.22 -2.35 119.26 117.40 2g80 h ALA 208 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2g80 h ALA 208 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2g80 h ALA 208 CO -0.04 0.23 -0.04 0.00 0.00 0.00 0.00 179.25 179.40 2g80 h ALA 209 N 1.25 1.61 -0.27 0.00 0.00 -1.15 -2.53 119.26 118.17 2g80 h ALA 209 Ca 0.24 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2g80 h ALA 209 Cb -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2g80 h ALA 209 CO -0.06 0.06 0.19 0.78 0.00 0.00 0.00 179.25 180.22 2g80 h GLY 210 N 0.22 0.05 -2.43 0.00 0.00 -1.14 -0.51 103.07 99.26 2g80 h GLY 210 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2g80 h GLY 210 CO 0.01 0.01 0.00 3.33 0.00 0.00 0.00 176.54 179.89 2g80 n VAL 211 N -4.47 0.74 -0.72 4.60 0.24 -0.97 -4.97 118.33 112.78 2g80 n VAL 211 Ca 0.03 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 2g80 n VAL 211 Cb 0.32 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 1.56 0.66 3.73 7.63 0.00 -0.20 -4.74 105.19 113.83 2g80 n GLY 212 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.09 3.24 0.54 -0.61 1.01 -1.07 -4.09 121.20 118.13 2g80 s ILE 213 Ca 0.00 1.00 -0.20 0.00 0.00 0.00 0.00 60.65 61.44 2g80 s ILE 213 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 2g80 s ILE 213 CO 0.00 0.14 1.20 0.00 0.00 0.00 0.00 174.94 176.28 2g80 s ALA 214 N 0.25 2.71 0.01 9.38 0.00 -0.70 -3.96 121.76 129.46 2g80 s ALA 214 Ca 0.58 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.56 2g80 s ALA 214 Cb -0.36 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 2g80 s ALA 214 CO 0.37 -0.98 -0.09 0.95 0.00 0.00 0.00 175.76 176.01 2g80 s THR 215 N -1.58 0.72 -0.02 0.00 -4.23 -1.26 -0.26 115.64 109.00 2g80 s THR 215 Ca 0.72 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 2g80 s THR 215 Cb -0.30 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 72.90 2g80 s THR 215 CO 0.34 0.04 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.58 2g80 s GLY 216 N -0.64 0.33 -0.33 3.99 0.00 -0.58 -4.65 107.32 105.45 2g80 s GLY 216 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.37 2g80 s GLY 216 CO 0.00 -0.02 0.46 -2.27 0.00 0.00 0.00 173.10 171.27 2g80 s LEU 217 N 0.17 4.28 -0.06 0.66 2.96 -0.11 -2.77 118.68 123.81 2g80 s LEU 217 Ca -0.02 0.04 -0.27 0.00 -0.22 0.00 0.00 54.13 53.66 2g80 s LEU 217 Cb -0.06 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 2g80 s LEU 217 CO -0.00 -0.38 0.87 0.00 -1.32 0.00 0.00 176.35 175.52 2g80 s ALA 218 N 2.25 3.29 -0.23 5.97 0.00 0.37 -0.17 121.76 133.24 2g80 s ALA 218 Ca 0.17 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.46 2g80 s ALA 218 Cb -0.16 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.79 2g80 s ALA 218 CO 0.12 -0.29 -0.13 0.45 0.00 0.00 0.00 175.76 175.91 2g80 s SER 219 N 0.97 3.99 0.10 0.00 0.15 -0.21 -4.26 113.70 114.44 2g80 s SER 219 Ca 0.45 -1.04 0.08 0.00 0.70 0.00 0.00 55.95 56.14 2g80 s SER 219 Cb -0.19 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 62.53 2g80 s SER 219 CO 0.21 -0.12 -0.20 -0.13 1.20 0.00 0.00 173.24 174.21 2g80 s ARG 220 N 1.21 1.12 0.17 5.44 1.81 -1.26 -4.11 118.95 123.33 2g80 s ARG 220 Ca -0.02 -1.13 -0.31 0.00 -1.72 0.00 0.00 55.73 52.54 2g80 s ARG 220 Cb -0.17 -1.35 -0.11 0.00 -0.45 0.00 0.00 34.95 32.87 2g80 s ARG 220 CO -0.07 0.32 1.79 -2.14 -0.68 0.00 0.00 175.30 174.51 2g80 s PRO 221 N -1.84 4.13 0.00 3.54 0.02 -1.26 -1.50 135.00 138.09 2g80 s PRO 221 Ca 0.06 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.69 2g80 s PRO 221 Cb -0.10 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.07 2g80 s PRO 221 CO 0.04 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 2g80 n GLY 222 N 4.13 0.11 3.79 0.52 0.00 -1.26 -4.77 105.19 107.71 2g80 n GLY 222 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.19 4.56 0.38 1.61 -0.87 -0.56 -4.90 114.94 112.97 2g80 s ASN 223 Ca 0.00 1.43 -0.28 0.00 -1.57 0.00 0.00 52.86 52.44 2g80 s ASN 223 Cb 0.00 -2.19 -0.11 0.00 -0.02 0.00 0.00 41.25 38.93 2g80 s ASN 223 CO 0.00 -1.94 1.45 0.00 -2.57 0.00 0.00 177.10 174.04 2g80 n ALA 224 N -3.43 2.16 -1.75 0.60 0.00 -1.26 -4.92 120.51 111.91 2g80 n ALA 224 Ca 0.07 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.48 2g80 n ALA 224 Cb 0.55 -2.39 0.04 0.00 0.00 0.00 0.00 19.45 17.65 2g80 n ALA 224 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2g80 s PRO 225 N -2.10 3.03 -0.30 0.00 0.04 -1.26 -4.98 135.00 129.44 2g80 s PRO 225 Ca 0.54 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.44 2g80 s PRO 225 Cb -0.49 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 2g80 s PRO 225 CO 0.63 -1.22 0.59 0.08 0.04 0.00 0.00 177.00 177.13 2g80 s VAL 226 N -1.42 4.98 0.20 -0.36 1.01 -1.26 -5.05 120.40 118.49 2g80 s VAL 226 Ca 0.75 0.82 -0.31 0.00 0.00 0.00 0.00 61.98 63.23 2g80 s VAL 226 Cb -0.36 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 2g80 s VAL 226 CO 0.41 -0.09 1.60 -2.84 0.00 0.00 0.00 175.10 174.18 2g80 s PRO 227 N 2.52 4.18 0.27 2.72 0.02 -1.26 -4.94 135.00 138.51 2g80 s PRO 227 Ca 0.24 2.45 -0.01 0.00 0.02 0.00 0.00 61.00 63.70 2g80 s PRO 227 Cb -0.15 -3.11 0.61 0.00 0.02 0.00 0.00 34.50 31.86 2g80 s PRO 227 CO 0.11 -0.63 1.68 -0.44 -0.33 0.00 0.00 177.00 177.39 2g80 h ASP 228 N 6.45 0.10 0.21 2.53 3.32 -2.04 -2.81 116.42 124.17 2g80 h ASP 228 Ca -0.43 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2g80 h ASP 228 Cb 1.21 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2g80 h ASP 228 CO 0.90 -0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 2g80 n GLY 229 N -1.36 -0.93 3.75 2.75 0.00 -1.26 -4.95 105.19 103.19 2g80 n GLY 229 Ca 0.18 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2g80 n GLY 229 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2g80 s GLN 230 N -2.27 2.73 0.33 1.61 1.03 -1.06 -4.99 119.66 117.04 2g80 s GLN 230 Ca 0.31 1.74 0.12 0.00 0.04 0.00 0.00 55.36 57.57 2g80 s GLN 230 Cb 0.17 -1.91 0.58 0.00 0.03 0.00 0.00 33.01 31.88 2g80 s GLN 230 CO 0.33 -1.38 1.74 1.57 -2.54 0.00 0.00 175.29 175.01 2g80 h LYS 231 N 0.45 0.00 -7.16 9.60 2.10 -1.92 -3.47 116.57 116.17 2g80 h LYS 231 Ca -0.49 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 57.67 2g80 h LYS 231 Cb 1.29 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.67 2g80 h LYS 231 CO 0.53 0.47 0.38 0.71 -2.00 0.00 0.00 179.45 179.55 2g80 s TYR 232 N -3.94 3.01 -0.18 0.07 2.02 -1.26 -5.02 117.35 112.05 2g80 s TYR 232 Ca -0.02 1.53 -0.26 0.00 -0.37 0.00 0.00 57.07 57.94 2g80 s TYR 232 Cb 0.14 -3.02 -0.01 0.00 -0.40 0.00 0.00 41.96 38.67 2g80 s TYR 232 CO 0.74 -1.00 0.88 -1.14 -1.57 0.00 0.00 175.55 173.46 2g80 s GLN 233 N -3.83 4.29 -0.05 -0.62 0.74 -1.26 -4.91 119.66 114.01 2g80 s GLN 233 Ca 0.64 1.09 -0.16 0.00 0.05 0.00 0.00 55.36 56.99 2g80 s GLN 233 Cb -0.16 -3.59 -0.05 0.00 1.10 0.00 0.00 33.01 30.31 2g80 s GLN 233 CO 0.32 -0.40 0.42 0.08 -0.55 0.00 0.00 175.29 175.16 2g80 s VAL 234 N 2.39 5.11 -0.22 1.34 1.01 -1.26 -0.94 120.40 127.82 2g80 s VAL 234 Ca 0.40 0.85 0.01 0.00 0.00 0.00 0.00 61.98 63.23 2g80 s VAL 234 Cb -0.16 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.53 2g80 s VAL 234 CO 0.11 0.48 -0.09 -0.31 0.00 0.00 0.00 175.10 175.28 2g80 s TYR 235 N -0.36 2.63 0.10 5.22 2.02 0.76 -4.93 117.35 122.79 2g80 s TYR 235 Ca 0.24 -1.81 0.17 0.00 -0.37 0.00 0.00 57.07 55.29 2g80 s TYR 235 Cb -0.16 -1.70 0.48 0.00 -0.40 0.00 0.00 41.96 40.18 2g80 s TYR 235 CO 0.11 -0.79 1.64 0.87 -1.57 0.00 0.00 175.55 175.81 2g80 h LYS 236 N 7.92 0.00 -3.66 -0.62 1.79 -1.86 -0.53 116.57 119.62 2g80 h LYS 236 Ca -0.24 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.11 2g80 h LYS 236 Cb 1.08 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.66 2g80 h LYS 236 CO 0.46 0.45 -0.05 0.54 -1.08 0.00 0.00 179.45 179.78 2g80 s ASN 237 N -6.48 0.29 -0.25 0.86 2.20 -1.26 -4.75 114.94 105.55 2g80 s ASN 237 Ca 0.01 -1.16 0.13 0.00 -0.94 0.00 0.00 52.86 50.90 2g80 s ASN 237 Cb 0.10 0.68 0.62 0.00 -2.00 0.00 0.00 41.25 40.65 2g80 s ASN 237 CO 0.71 -1.32 1.58 0.49 -2.94 0.00 0.00 177.10 175.62 2g80 n PHE 238 N -0.48 1.54 -0.29 1.54 3.72 -1.26 -4.70 117.46 117.52 2g80 n PHE 238 Ca -0.02 -1.08 -0.03 0.00 -0.05 0.00 0.00 57.45 56.27 2g80 n PHE 238 Cb 0.61 -0.48 0.13 0.00 -0.94 0.00 0.00 39.48 38.81 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 2.15 1.16 -0.00 -1.08 3.07 -1.98 -2.93 114.58 114.97 2g80 h GLU 239 Ca 0.12 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2g80 h GLU 239 Cb 1.80 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.48 2g80 h GLU 239 CO 0.43 0.85 -0.23 0.25 -1.40 0.00 0.00 179.01 178.91 2g80 n THR 240 N -4.34 0.00 1.43 1.13 -2.24 -1.26 -5.12 114.28 103.87 2g80 n THR 240 Ca 0.09 -0.07 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 2g80 n THR 240 Cb 0.10 0.13 0.46 0.00 -2.10 0.00 0.00 70.33 68.92 2g80 n THR 240 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68