#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a11 n ARG 3 N 0.00 0.00 -1.86 0.38 3.00 -1.26 -4.56 116.66 112.36 2a11 n ARG 3 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2a11 n ARG 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2a11 n ARG 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2a11 s SER 4 N -0.06 6.54 0.00 6.15 0.15 -1.26 -4.89 113.70 120.33 2a11 s SER 4 Ca 0.00 2.63 0.19 0.00 0.70 0.00 0.00 55.95 59.47 2a11 s SER 4 Cb 0.00 -2.58 0.53 0.00 -1.71 0.00 0.00 66.02 62.27 2a11 s SER 4 CO 0.00 -0.90 1.45 0.54 1.20 0.00 0.00 173.24 175.53 2a11 n ARG 5 N 4.93 2.38 -0.09 5.44 1.74 -1.26 -4.39 116.66 125.41 2a11 n ARG 5 Ca 0.16 -2.13 -0.12 0.00 -0.77 0.00 0.00 57.85 54.99 2a11 n ARG 5 Cb 0.39 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 2a11 n ARG 5 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2a11 h GLN 6 N 3.59 0.50 -0.07 5.56 5.75 -1.94 -0.52 115.11 127.97 2a11 h GLN 6 Ca 0.00 -0.19 0.02 0.00 -0.15 0.00 0.00 58.65 58.33 2a11 h GLN 6 Cb 0.81 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.33 2a11 h GLN 6 CO 0.00 0.71 0.12 -1.00 -2.65 0.00 0.00 178.83 176.01 2a11 h PRO 7 N 0.26 0.00 0.00 -2.39 0.13 -1.98 0.23 132.00 128.25 2a11 h PRO 7 Ca 0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 2a11 h PRO 7 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 2a11 h PRO 7 CO 0.02 0.00 -0.15 1.25 -0.23 0.00 0.00 178.00 178.89 2a11 h LEU 8 N 0.00 0.00 -2.65 1.56 6.46 -1.73 -2.11 115.31 116.84 2a11 h LEU 8 Ca 0.03 -0.72 0.01 0.00 -0.12 0.00 0.00 57.88 57.08 2a11 h LEU 8 Cb 0.27 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2a11 h LEU 8 CO -0.00 0.95 0.09 -0.07 -0.62 0.00 0.00 178.44 178.78 2a11 h LEU 9 N -1.00 0.00 0.01 2.25 3.38 -0.28 -0.84 115.31 118.83 2a11 h LEU 9 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2a11 h LEU 9 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2a11 h LEU 9 CO -0.02 0.00 -0.01 0.44 0.09 0.00 0.00 178.44 178.94 2a11 h ASP 10 N 0.00 -0.01 -0.47 -0.43 3.32 -0.61 -2.42 116.42 115.79 2a11 h ASP 10 Ca 0.01 -0.67 0.10 0.00 0.02 0.00 0.00 57.03 56.49 2a11 h ASP 10 Cb 0.19 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.65 2a11 h ASP 10 CO -0.00 0.81 -0.13 0.00 -1.72 0.00 0.00 179.24 178.20 2a11 h ALA 11 N -0.29 0.30 -0.94 3.45 0.00 -0.57 -0.01 119.26 121.20 2a11 h ALA 11 Ca -0.00 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2a11 h ALA 11 Cb 0.68 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2a11 h ALA 11 CO 0.00 -0.45 0.59 -0.07 0.00 0.00 0.00 179.25 179.31 2a11 h LEU 12 N -0.01 0.88 0.00 0.00 4.07 -1.30 -3.46 115.31 115.49 2a11 h LEU 12 Ca 0.23 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.22 2a11 h LEU 12 Cb 0.36 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2a11 h LEU 12 CO -0.50 0.52 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 2a11 n GLY 13 N -1.34 0.74 1.25 0.83 0.00 -0.02 -4.87 105.19 101.78 2a11 n GLY 13 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2a11 n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a11 n VAL 14 N -2.17 0.00 -5.09 1.61 0.24 -1.20 -5.04 118.33 106.69 2a11 n VAL 14 Ca 0.00 -0.90 -0.29 0.00 -2.04 0.00 0.00 64.34 61.12 2a11 n VAL 14 Cb 0.00 0.34 -0.16 0.00 -1.47 0.00 0.00 33.84 32.55 2a11 n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2a11 s ASP 15 N -1.93 2.74 -0.04 -1.34 2.15 -1.26 -4.64 116.67 112.34 2a11 s ASP 15 Ca 0.09 -0.44 0.02 0.00 0.43 0.00 0.00 52.55 52.64 2a11 s ASP 15 Cb 0.00 -0.29 0.01 0.00 -0.30 0.00 0.00 42.92 42.35 2a11 s ASP 15 CO 0.06 0.27 -0.07 -0.76 -0.17 0.00 0.00 175.17 174.50 2a11 s LEU 16 N -0.66 1.53 0.46 -1.34 1.43 -1.26 -5.00 118.68 113.84 2a11 s LEU 16 Ca 0.09 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.78 2a11 s LEU 16 Cb -0.09 -0.55 -0.09 0.00 0.03 0.00 0.00 46.19 45.49 2a11 s LEU 16 CO -0.00 -0.00 1.01 -2.65 0.23 0.00 0.00 176.35 174.93 2a11 n PRO 17 N 3.77 1.29 -0.18 1.29 -0.02 -1.26 -4.71 135.00 135.19 2a11 n PRO 17 Ca -0.23 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 61.71 2a11 n PRO 17 Cb 0.52 -2.08 0.06 0.00 -0.02 0.00 0.00 33.50 31.98 2a11 n PRO 17 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2a11 h ASP 18 N 1.36 -0.38 -0.72 2.55 3.32 -1.99 -1.50 116.42 119.06 2a11 h ASP 18 Ca -0.46 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 2a11 h ASP 18 Cb 1.34 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 41.15 2a11 h ASP 18 CO 0.56 -0.14 0.43 1.05 -1.72 0.00 0.00 179.24 179.41 2a11 h GLU 19 N 0.05 0.99 -0.37 3.56 9.09 -1.99 -0.44 114.58 125.47 2a11 h GLU 19 Ca 0.28 -0.10 -0.17 0.00 0.05 0.00 0.00 59.36 59.42 2a11 h GLU 19 Cb 0.43 -0.20 -0.00 0.00 -1.65 0.00 0.00 28.75 27.32 2a11 h GLU 19 CO -0.52 0.71 -0.42 1.25 0.05 0.00 0.00 179.01 180.08 2a11 h LEU 20 N 0.99 1.00 -0.87 3.06 5.85 -1.81 -1.40 115.31 122.13 2a11 h LEU 20 Ca 0.26 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 2a11 h LEU 20 Cb -0.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2a11 h LEU 20 CO -0.05 1.28 -0.23 0.25 -0.34 0.00 0.00 178.44 179.35 2a11 h LEU 21 N 0.75 0.58 -0.07 2.25 5.85 -1.14 -0.61 115.31 122.91 2a11 h LEU 21 Ca 0.05 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2a11 h LEU 21 Cb 1.02 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2a11 h LEU 21 CO 0.10 0.80 0.00 0.28 -0.34 0.00 0.00 178.44 179.29 2a11 h SER 22 N 0.50 0.12 -0.32 1.25 0.02 -0.91 -1.80 113.55 112.42 2a11 h SER 22 Ca 0.07 -0.30 0.05 0.00 -0.84 0.00 0.00 61.79 60.77 2a11 h SER 22 Cb 0.68 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 2a11 h SER 22 CO 0.05 0.39 0.05 0.25 -1.14 0.00 0.00 176.83 176.43 2a11 h LEU 23 N -0.15 -0.02 -1.43 5.07 5.85 -1.12 -0.92 115.31 122.59 2a11 h LEU 23 Ca 0.02 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.95 2a11 h LEU 23 Cb 0.33 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 2a11 h LEU 23 CO 0.00 0.03 0.54 0.00 -0.34 0.00 0.00 178.44 178.67 2a11 h ALA 24 N 1.25 1.97 -0.04 1.25 0.00 -0.92 0.26 119.26 123.03 2a11 h ALA 24 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2a11 h ALA 24 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2a11 h ALA 24 CO -0.21 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.12 2a11 n LEU 25 N -4.52 1.30 -4.50 0.00 4.77 -0.42 -4.69 117.00 108.94 2a11 n LEU 25 Ca 0.16 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 2a11 n LEU 25 Cb 0.50 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 2a11 n LEU 25 CO 0.31 0.23 1.04 -0.89 -1.33 0.00 0.00 177.39 176.75 2a11 s THR 26 N -1.96 4.14 0.53 -5.08 2.01 0.08 -1.29 115.64 114.07 2a11 s THR 26 Ca 0.38 -0.40 -0.20 0.00 0.31 0.00 0.00 61.69 61.78 2a11 s THR 26 Cb 0.20 -4.83 -0.06 0.00 0.01 0.00 0.00 72.50 67.81 2a11 s THR 26 CO 0.32 -1.67 1.11 -2.28 -0.69 0.00 0.00 174.62 171.41 2a11 s HIS 27 N 4.49 2.74 0.39 4.92 2.46 -0.96 -1.25 115.29 128.09 2a11 s HIS 27 Ca 0.32 1.55 0.13 0.00 0.47 0.00 0.00 55.06 57.53 2a11 s HIS 27 Cb -0.09 -3.25 0.96 0.00 -0.13 0.00 0.00 32.58 30.07 2a11 s HIS 27 CO 0.05 -1.43 1.87 0.07 -2.47 0.00 0.00 174.74 172.83 2a11 h ARG 28 N 1.30 0.51 0.18 2.88 0.11 -1.95 -1.98 114.38 115.44 2a11 h ARG 28 Ca -0.50 -0.03 0.01 0.00 0.10 0.00 0.00 59.98 59.56 2a11 h ARG 28 Cb 1.25 -0.12 -0.03 0.00 1.11 0.00 0.00 29.97 32.19 2a11 h ARG 28 CO 0.57 0.34 -0.26 0.66 0.10 0.00 0.00 179.97 181.39 2a11 h SER 29 N 0.53 -0.71 -0.40 0.08 4.64 -1.91 0.97 113.55 116.75 2a11 h SER 29 Ca 0.45 0.07 0.06 0.00 -0.47 0.00 0.00 61.79 61.90 2a11 h SER 29 Cb 0.93 0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 2a11 h SER 29 CO -0.19 -0.36 0.11 0.22 -0.87 0.00 0.00 176.83 175.75 2a11 h TYR 30 N -0.50 0.19 -0.41 4.77 3.20 -1.63 -1.22 116.97 121.37 2a11 h TYR 30 Ca 0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2a11 h TYR 30 Cb 0.50 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.67 2a11 h TYR 30 CO -0.21 0.05 -0.00 0.00 -1.64 0.00 0.00 178.16 176.37 2a11 h ALA 31 N 1.28 0.38 0.05 1.82 0.00 -0.63 -1.59 119.26 120.57 2a11 h ALA 31 Ca 0.19 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2a11 h ALA 31 Cb 0.20 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2a11 h ALA 31 CO -0.22 -0.39 -0.02 1.88 0.00 0.00 0.00 179.25 180.49 2a11 h TYR 32 N 0.11 -0.06 -0.34 0.00 0.05 -0.40 -1.09 116.97 115.23 2a11 h TYR 32 Ca 0.20 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.08 2a11 h TYR 32 Cb 0.29 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 2a11 h TYR 32 CO -0.27 0.29 0.37 1.49 -1.05 0.00 0.00 178.16 178.99 2a11 h GLU 33 N -0.42 0.00 -0.64 4.88 4.81 -1.05 -2.12 114.58 120.04 2a11 h GLU 33 Ca -0.01 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 2a11 h GLU 33 Cb 0.38 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.58 2a11 h GLU 33 CO 0.01 0.00 0.24 0.09 -0.73 0.00 0.00 179.01 178.62 2a11 n ASN 34 N -3.74 3.25 0.00 1.04 4.13 -0.62 -4.92 115.26 114.40 2a11 n ASN 34 Ca 0.06 -3.63 0.00 0.00 1.68 0.00 0.00 54.58 52.69 2a11 n ASN 34 Cb 0.53 -0.72 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 2a11 n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a11 n GLY 35 N -1.02 0.88 1.45 7.41 0.00 -0.80 -4.59 105.19 108.53 2a11 n GLY 35 Ca 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 2a11 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a11 n GLY 36 N -2.20 0.74 3.88 -0.02 0.00 -0.48 -5.02 105.19 102.09 2a11 n GLY 36 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2a11 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a11 s LEU 37 N -2.87 3.52 0.56 0.99 1.02 -0.78 -5.00 118.68 116.12 2a11 s LEU 37 Ca 0.01 1.19 -0.20 0.00 0.02 0.00 0.00 54.13 55.15 2a11 s LEU 37 Cb -0.00 -4.16 -0.05 0.00 0.02 0.00 0.00 46.19 42.00 2a11 s LEU 37 CO 0.03 -0.66 1.21 -2.84 0.02 0.00 0.00 176.35 174.11 2a11 s PRO 38 N -4.71 3.19 0.41 1.29 0.02 -1.26 -4.76 135.00 129.18 2a11 s PRO 38 Ca 0.52 1.84 0.08 0.00 0.02 0.00 0.00 61.00 63.45 2a11 s PRO 38 Cb -0.11 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 2a11 s PRO 38 CO 0.45 -1.03 0.30 0.95 -0.33 0.00 0.00 177.00 177.34 2a11 s THR 39 N -1.57 2.59 -2.00 0.99 -4.23 -1.26 -4.90 115.64 105.26 2a11 s THR 39 Ca 0.74 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 59.83 2a11 s THR 39 Cb -0.30 -3.01 0.16 0.00 1.34 0.00 0.00 72.50 70.69 2a11 s THR 39 CO 0.34 -0.01 1.18 -0.46 -0.54 0.00 0.00 174.62 175.13 2a11 n ASN 40 N -1.43 0.00 -0.23 3.99 0.23 -0.38 -4.22 115.26 113.23 2a11 n ASN 40 Ca 0.02 -1.74 -0.04 0.00 -0.53 0.00 0.00 54.58 52.28 2a11 n ASN 40 Cb 0.63 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.46 2a11 n ASN 40 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2a11 h GLU 41 N 0.00 1.05 -0.37 -3.83 5.08 -1.90 -0.19 114.58 114.42 2a11 h GLU 41 Ca 0.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2a11 h GLU 41 Cb 0.00 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2a11 h GLU 41 CO 0.00 0.86 -0.09 0.00 -1.00 0.00 0.00 179.01 178.78 2a11 h ARG 42 N 1.02 0.71 -0.88 2.33 3.08 -2.00 -1.96 114.38 116.68 2a11 h ARG 42 Ca 0.24 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2a11 h ARG 42 Cb 0.21 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2a11 h ARG 42 CO -0.02 0.86 0.55 -0.07 -1.07 0.00 0.00 179.97 180.22 2a11 h LEU 43 N 0.50 1.04 -0.34 3.04 4.07 -1.79 -0.94 115.31 120.90 2a11 h LEU 43 Ca 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2a11 h LEU 43 Cb 0.60 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 2a11 h LEU 43 CO 0.04 0.79 0.22 -0.08 -1.08 0.00 0.00 178.44 178.32 2a11 h GLU 44 N 1.20 0.43 -0.53 1.13 4.81 -0.77 0.34 114.58 121.20 2a11 h GLU 44 Ca 0.32 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 2a11 h GLU 44 Cb -0.08 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 2a11 h GLU 44 CO -0.06 0.29 0.27 0.35 -0.73 0.00 0.00 179.01 179.12 2a11 h PHE 45 N 0.45 0.49 -0.06 0.92 3.57 -0.87 0.64 116.94 122.07 2a11 h PHE 45 Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2a11 h PHE 45 Cb -0.04 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 2a11 h PHE 45 CO -0.06 0.24 -0.03 1.25 -2.23 0.00 0.00 178.31 177.48 2a11 h LEU 46 N 0.52 0.13 -1.81 0.59 5.85 -0.78 -3.06 115.31 116.77 2a11 h LEU 46 Ca 0.23 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2a11 h LEU 46 Cb 0.14 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2a11 h LEU 46 CO -0.16 0.51 0.20 1.23 -0.34 0.00 0.00 178.44 179.88 2a11 h GLY 47 N -0.25 0.29 0.92 3.75 0.00 0.03 -1.74 103.07 106.08 2a11 h GLY 47 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2a11 h GLY 47 CO 0.01 0.09 0.09 -1.80 0.00 0.00 0.00 176.54 174.92 2a11 h ASP 48 N 0.25 0.56 -0.30 0.19 3.58 -0.82 0.94 116.42 120.82 2a11 h ASP 48 Ca 0.13 -0.23 -0.11 0.00 0.42 0.00 0.00 57.03 57.23 2a11 h ASP 48 Cb 0.19 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2a11 h ASP 48 CO -0.02 0.65 -0.22 0.00 -2.88 0.00 0.00 179.24 176.77 2a11 h ALA 49 N 0.93 0.87 -0.11 -0.78 0.00 -1.25 0.72 119.26 119.65 2a11 h ALA 49 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2a11 h ALA 49 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2a11 h ALA 49 CO 0.00 0.63 0.03 0.28 0.00 0.00 0.00 179.25 180.19 2a11 h VAL 50 N 0.68 1.19 -0.60 0.00 2.07 -1.11 -1.07 116.25 117.41 2a11 h VAL 50 Ca 0.10 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2a11 h VAL 50 Cb 0.73 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2a11 h VAL 50 CO 0.06 0.17 0.30 0.25 0.02 0.00 0.00 177.57 178.36 2a11 h LEU 51 N -0.03 0.78 -0.27 2.57 5.85 -0.77 -1.87 115.31 121.57 2a11 h LEU 51 Ca 0.03 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2a11 h LEU 51 Cb 0.24 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2a11 h LEU 51 CO -0.00 0.68 0.07 1.23 -0.34 0.00 0.00 178.44 180.08 2a11 h GLY 52 N 0.82 0.33 0.80 3.75 0.00 -0.64 -0.98 103.07 107.15 2a11 h GLY 52 Ca 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2a11 h GLY 52 CO -0.03 0.01 0.02 -2.00 0.00 0.00 0.00 176.54 174.54 2a11 h LEU 53 N 0.19 0.25 -0.38 3.11 5.85 -1.08 -1.47 115.31 121.79 2a11 h LEU 53 Ca 0.12 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.62 2a11 h LEU 53 Cb 0.11 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2a11 h LEU 53 CO -0.14 0.47 0.09 0.74 -0.34 0.00 0.00 178.44 179.26 2a11 h THR 54 N 0.03 0.83 -0.17 1.05 2.02 -1.14 0.30 112.91 115.83 2a11 h THR 54 Ca 0.05 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 2a11 h THR 54 Cb 0.33 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2a11 h THR 54 CO 0.00 0.04 -0.40 0.40 0.37 0.00 0.00 175.52 175.94 2a11 h ILE 55 N 0.22 1.30 -0.15 3.11 1.08 -1.18 -1.62 117.51 120.28 2a11 h ILE 55 Ca 0.18 -1.53 -0.02 0.00 -0.39 0.00 0.00 64.86 63.10 2a11 h ILE 55 Cb 0.19 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 2a11 h ILE 55 CO -0.22 0.47 0.02 0.74 -0.69 0.00 0.00 178.15 178.47 2a11 h THR 56 N 0.31 1.23 -0.38 -0.27 2.02 -0.46 -1.79 112.91 113.57 2a11 h THR 56 Ca 0.03 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.49 2a11 h THR 56 Cb 0.84 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 2a11 h THR 56 CO 0.07 0.22 0.21 -0.78 0.37 0.00 0.00 175.52 175.61 2a11 h ASP 57 N 0.02 0.33 0.37 4.18 1.82 -0.32 -0.85 116.42 121.98 2a11 h ASP 57 Ca 0.04 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 2a11 h ASP 57 Cb 0.32 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2a11 h ASP 57 CO 0.00 0.24 -0.18 0.00 -1.61 0.00 0.00 179.24 177.69 2a11 h ALA 58 N 1.18 -0.50 -0.95 -0.78 0.00 -1.20 -2.38 119.26 114.64 2a11 h ALA 58 Ca 0.16 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2a11 h ALA 58 Cb 0.04 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2a11 h ALA 58 CO -0.09 -0.71 0.62 -0.07 0.00 0.00 0.00 179.25 178.99 2a11 h LEU 59 N -0.64 0.96 -0.39 0.00 3.38 -1.27 0.10 115.31 117.44 2a11 h LEU 59 Ca -0.05 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2a11 h LEU 59 Cb 0.46 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2a11 h LEU 59 CO 0.08 0.60 0.09 0.15 0.09 0.00 0.00 178.44 179.46 2a11 h PHE 60 N 1.08 0.16 -0.10 1.13 3.57 -0.95 -1.68 116.94 120.15 2a11 h PHE 60 Ca 0.42 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.71 2a11 h PHE 60 Cb 0.22 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.96 2a11 h PHE 60 CO -0.00 0.03 -0.83 0.45 -2.23 0.00 0.00 178.31 175.74 2a11 h HIS 61 N 0.23 1.01 0.00 0.41 3.86 -0.82 -3.30 115.15 116.54 2a11 h HIS 61 Ca 0.19 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2a11 h HIS 61 Cb 0.21 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2a11 h HIS 61 CO -0.19 1.31 0.00 0.00 0.86 0.00 0.00 177.93 179.92 2a11 h ARG 62 N 0.43 0.00 -2.07 2.45 3.08 -0.65 -3.34 114.38 114.28 2a11 h ARG 62 Ca -0.08 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.41 2a11 h ARG 62 Cb 1.47 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 31.13 2a11 h ARG 62 CO 0.17 0.00 -1.04 0.72 -1.07 0.00 0.00 179.97 178.75 2a11 n HIS 63 N -2.75 0.06 0.29 3.04 8.25 -0.65 -4.96 115.22 118.51 2a11 n HIS 63 Ca 0.01 -3.61 0.15 0.00 -0.26 0.00 0.00 57.72 54.02 2a11 n HIS 63 Cb 0.29 -0.32 0.92 0.00 1.12 0.00 0.00 29.99 32.00 2a11 n HIS 63 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2a11 h PRO 64 N 4.18 0.00 -0.08 -0.41 0.11 -1.69 -2.56 132.00 131.55 2a11 h PRO 64 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2a11 h PRO 64 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2a11 h PRO 64 CO 0.50 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.04 2a11 n ASP 65 N -3.83 2.80 -4.86 -2.05 8.00 -1.26 -4.94 116.55 110.41 2a11 n ASP 65 Ca -0.03 -1.91 -0.36 0.00 0.71 0.00 0.00 54.79 53.20 2a11 n ASP 65 Cb 0.10 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 2a11 n ASP 65 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2a11 s ARG 66 N -1.92 3.81 0.78 -1.24 0.52 -0.97 -5.08 118.95 114.85 2a11 s ARG 66 Ca 0.31 0.26 -0.11 0.00 -0.52 0.00 0.00 55.73 55.67 2a11 s ARG 66 Cb 0.20 -3.06 0.06 0.00 0.52 0.00 0.00 34.95 32.67 2a11 s ARG 66 CO 0.31 0.60 1.09 -1.54 0.02 0.00 0.00 175.30 175.77 2a11 s SER 67 N -1.54 4.51 0.17 0.23 1.04 -1.26 -4.76 113.70 112.10 2a11 s SER 67 Ca 0.30 1.69 -0.19 0.00 0.48 0.00 0.00 55.95 58.23 2a11 s SER 67 Cb -0.15 -2.42 0.11 0.00 0.10 0.00 0.00 66.02 63.65 2a11 s SER 67 CO 0.16 -2.01 1.63 -0.08 0.98 0.00 0.00 173.24 173.92 2a11 h GLU 68 N -1.11 -0.12 -0.57 4.02 4.81 -1.98 0.21 114.58 119.83 2a11 h GLU 68 Ca -0.45 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 58.90 2a11 h GLU 68 Cb 1.24 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.56 2a11 h GLU 68 CO 0.54 -0.08 0.07 0.78 -0.73 0.00 0.00 179.01 179.58 2a11 h GLY 69 N -0.13 0.67 0.93 1.92 0.00 -1.99 0.50 103.07 104.98 2a11 h GLY 69 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 2a11 h GLY 69 CO -0.50 -0.14 0.12 -0.55 0.00 0.00 0.00 176.54 175.48 2a11 h ASP 70 N 0.19 0.55 -0.69 0.19 5.19 -1.56 -1.31 116.42 118.97 2a11 h ASP 70 Ca 0.30 -0.21 0.05 0.00 -0.62 0.00 0.00 57.03 56.55 2a11 h ASP 70 Cb 0.45 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.76 2a11 h ASP 70 CO -0.43 0.61 0.40 -0.07 -3.12 0.00 0.00 179.24 176.64 2a11 h LEU 71 N 0.46 0.62 -1.44 1.55 3.38 0.91 0.26 115.31 121.05 2a11 h LEU 71 Ca 0.12 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2a11 h LEU 71 Cb 0.26 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2a11 h LEU 71 CO -0.00 0.41 0.23 0.00 0.09 0.00 0.00 178.44 179.16 2a11 h ALA 72 N 1.34 1.58 -0.16 1.53 0.00 0.34 -0.53 119.26 123.36 2a11 h ALA 72 Ca 0.30 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 2a11 h ALA 72 Cb 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2a11 h ALA 72 CO -0.16 0.35 -0.47 -0.22 0.00 0.00 0.00 179.25 178.75 2a11 h LYS 73 N 0.61 0.60 -0.37 0.00 3.64 0.16 -2.54 116.57 118.68 2a11 h LYS 73 Ca 0.16 -0.43 -0.04 0.00 -1.27 0.00 0.00 60.65 59.07 2a11 h LYS 73 Cb 0.04 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2a11 h LYS 73 CO -0.02 1.05 0.07 -0.07 -2.27 0.00 0.00 179.45 178.21 2a11 h LEU 74 N 0.25 0.50 -0.16 5.20 4.07 -0.10 -2.92 115.31 122.16 2a11 h LEU 74 Ca -0.01 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.82 2a11 h LEU 74 Cb 1.09 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.70 2a11 h LEU 74 CO 0.10 0.52 -0.12 -0.09 -1.08 0.00 0.00 178.44 177.77 2a11 h ARG 75 N 0.53 0.36 -0.15 1.13 2.43 -1.08 -2.96 114.38 114.65 2a11 h ARG 75 Ca 0.12 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2a11 h ARG 75 Cb 0.23 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2a11 h ARG 75 CO -0.00 0.71 0.28 0.00 -1.51 0.00 0.00 179.97 179.45 2a11 h ALA 76 N 0.64 1.61 -0.14 2.80 0.00 -1.26 0.16 119.26 123.07 2a11 h ALA 76 Ca 0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2a11 h ALA 76 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2a11 h ALA 76 CO 0.03 -0.35 -0.47 0.77 0.00 0.00 0.00 179.25 179.23 2a11 h SER 77 N 0.00 0.66 0.93 0.00 0.02 -1.40 -3.18 113.55 110.59 2a11 h SER 77 Ca 0.07 -0.60 -0.19 0.00 -0.84 0.00 0.00 61.79 60.23 2a11 h SER 77 Cb 0.62 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2a11 h SER 77 CO -0.00 1.15 -0.89 0.58 -1.14 0.00 0.00 176.83 176.53 2a11 h VAL 78 N 0.21 1.62 -0.24 2.27 2.07 -1.02 -3.38 116.25 117.78 2a11 h VAL 78 Ca -0.02 -3.08 0.00 0.00 0.82 0.00 0.00 66.70 64.42 2a11 h VAL 78 Cb 1.09 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 2a11 h VAL 78 CO 0.10 0.87 0.00 1.33 0.02 0.00 0.00 177.57 179.89 2a11 n VAL 79 N -3.45 1.55 -1.32 2.57 0.24 -0.68 -4.60 118.33 112.64 2a11 n VAL 79 Ca -0.00 -1.43 -0.31 0.00 -2.04 0.00 0.00 64.34 60.55 2a11 n VAL 79 Cb 0.86 0.16 0.09 0.00 -1.47 0.00 0.00 33.84 33.48 2a11 n VAL 79 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2a11 s ASN 80 N -1.50 4.52 0.22 -1.34 2.20 -1.20 -4.74 114.94 113.10 2a11 s ASN 80 Ca 0.28 1.88 -0.14 0.00 -0.94 0.00 0.00 52.86 53.95 2a11 s ASN 80 Cb 0.20 -2.53 0.26 0.00 -2.00 0.00 0.00 41.25 37.18 2a11 s ASN 80 CO 0.10 -2.03 1.61 0.74 -2.94 0.00 0.00 177.10 174.58 2a11 h THR 81 N -0.95 0.26 -0.32 0.54 2.02 -1.96 -1.27 112.91 111.23 2a11 h THR 81 Ca -0.44 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.79 2a11 h THR 81 Cb 1.24 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 2a11 h THR 81 CO 0.51 0.00 0.04 1.56 0.37 0.00 0.00 175.52 178.00 2a11 h GLN 82 N -0.02 0.14 -0.67 6.66 1.08 -1.92 -1.29 115.11 119.09 2a11 h GLN 82 Ca 0.33 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.46 2a11 h GLN 82 Cb 0.53 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 2a11 h GLN 82 CO -0.73 0.09 0.20 0.00 -0.95 0.00 0.00 178.83 177.44 2a11 h ALA 83 N 1.26 1.09 -0.14 3.87 0.00 -1.62 -2.45 119.26 121.27 2a11 h ALA 83 Ca 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2a11 h ALA 83 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2a11 h ALA 83 CO -0.23 0.62 0.00 -0.07 0.00 0.00 0.00 179.25 179.58 2a11 h LEU 84 N 0.99 0.24 -0.60 0.00 4.07 -0.92 -2.90 115.31 116.19 2a11 h LEU 84 Ca 0.22 -0.30 0.06 0.00 0.08 0.00 0.00 57.88 57.93 2a11 h LEU 84 Cb 0.30 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 2a11 h LEU 84 CO -0.01 0.49 0.31 0.00 -1.08 0.00 0.00 178.44 178.15 2a11 h ALA 85 N 0.76 0.78 -0.18 1.53 0.00 -1.14 -1.06 119.26 119.95 2a11 h ALA 85 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2a11 h ALA 85 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2a11 h ALA 85 CO 0.01 -0.04 0.06 -0.44 0.00 0.00 0.00 179.25 178.85 2a11 h ASP 86 N 0.58 0.22 0.09 0.00 3.45 -1.41 0.17 116.42 119.52 2a11 h ASP 86 Ca 0.27 -0.02 -0.14 0.00 0.43 0.00 0.00 57.03 57.57 2a11 h ASP 86 Cb 0.19 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 2a11 h ASP 86 CO -0.19 0.22 -0.48 0.58 -1.57 0.00 0.00 179.24 177.79 2a11 h VAL 87 N 0.25 1.32 -0.23 -1.35 2.07 -1.01 -2.54 116.25 114.77 2a11 h VAL 87 Ca 0.06 -1.70 -0.13 0.00 0.82 0.00 0.00 66.70 65.76 2a11 h VAL 87 Cb 0.07 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2a11 h VAL 87 CO -0.01 0.52 -0.35 0.00 0.02 0.00 0.00 177.57 177.75 2a11 h ALA 88 N 1.11 0.35 -0.36 1.67 0.00 -0.35 0.82 119.26 122.50 2a11 h ALA 88 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2a11 h ALA 88 Cb 0.98 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2a11 h ALA 88 CO 0.09 0.41 0.23 0.00 0.00 0.00 0.00 179.25 179.98 2a11 h ARG 89 N 0.34 0.47 -0.24 0.00 3.08 -0.64 0.76 114.38 118.16 2a11 h ARG 89 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2a11 h ARG 89 Cb 0.94 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2a11 h ARG 89 CO 0.08 0.32 0.00 0.54 -1.07 0.00 0.00 179.97 179.84 2a11 n ARG 90 N -4.48 1.96 -0.32 0.04 3.00 -0.97 -4.08 116.66 111.82 2a11 n ARG 90 Ca 0.02 -1.77 0.10 0.00 -0.01 0.00 0.00 57.85 56.19 2a11 n ARG 90 Cb 0.07 -1.29 0.27 0.00 0.00 0.00 0.00 32.46 31.51 2a11 n ARG 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2a11 h LEU 91 N 2.45 0.63 -7.98 0.55 5.85 -0.53 -3.43 115.31 112.84 2a11 h LEU 91 Ca 0.00 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 2a11 h LEU 91 Cb 0.67 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.57 2a11 h LEU 91 CO 0.00 0.24 -0.28 0.00 -0.34 0.00 0.00 178.44 178.06 2a11 n ALA 93 N -0.21 -0.20 0.22 0.00 0.00 -1.26 0.37 120.51 119.43 2a11 n ALA 93 Ca -0.09 0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.68 2a11 n ALA 93 Cb 0.63 0.20 0.55 0.00 0.00 0.00 0.00 19.45 20.82 2a11 n ALA 93 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2a11 h GLU 94 N 0.00 0.04 0.00 0.00 3.07 -1.98 -3.49 114.58 112.22 2a11 h GLU 94 Ca 0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2a11 h GLU 94 Cb 0.13 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2a11 h GLU 94 CO -0.30 0.13 0.00 0.41 -1.40 0.00 0.00 179.01 177.85 2a11 n GLY 95 N -1.24 0.75 0.17 -3.84 0.00 0.16 -4.55 105.19 96.64 2a11 n GLY 95 Ca -0.02 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 2a11 n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2a11 h LEU 96 N 0.00 0.80 -1.08 0.99 5.85 -1.07 -3.32 115.31 117.49 2a11 h LEU 96 Ca 0.00 -0.71 0.39 0.00 0.84 0.00 0.00 57.88 58.39 2a11 h LEU 96 Cb 0.00 -0.25 -0.16 0.00 0.37 0.00 0.00 40.66 40.62 2a11 h LEU 96 CO 0.00 1.52 0.61 1.23 -0.34 0.00 0.00 178.44 181.46 2a11 h GLY 97 N 0.56 2.00 1.68 3.75 0.00 -1.81 0.29 103.07 109.54 2a11 h GLY 97 Ca -0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2a11 h GLY 97 CO 0.22 -0.60 0.14 -2.08 0.00 0.00 0.00 176.54 174.22 2a11 h VAL 98 N 0.14 1.11 -0.00 4.60 2.07 -1.80 -2.94 116.25 119.43 2a11 h VAL 98 Ca 0.80 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 68.00 2a11 h VAL 98 Cb 2.09 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2a11 h VAL 98 CO -0.64 0.13 -0.49 1.41 0.02 0.00 0.00 177.57 178.00 2a11 n HIS 99 N -4.43 0.00 -2.33 1.57 -0.00 1.00 -4.85 115.22 106.17 2a11 n HIS 99 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.32 2a11 n HIS 99 Cb 0.12 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.99 29.86 2a11 n HIS 99 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2a11 s VAL 100 N -2.91 3.45 -0.32 1.59 1.01 -1.11 -4.93 120.40 117.18 2a11 s VAL 100 Ca 0.13 1.22 -0.23 0.00 0.00 0.00 0.00 61.98 63.10 2a11 s VAL 100 Cb 0.18 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2a11 s VAL 100 CO 0.68 0.20 0.79 -0.76 0.00 0.00 0.00 175.10 176.01 2a11 s LEU 101 N -0.30 4.09 0.17 3.92 1.43 -0.41 -5.00 118.68 122.58 2a11 s LEU 101 Ca 0.53 0.62 0.09 0.00 -1.03 0.00 0.00 54.13 54.34 2a11 s LEU 101 Cb -0.34 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2a11 s LEU 101 CO 0.38 -0.64 -0.19 -0.76 0.23 0.00 0.00 176.35 175.37 2a11 s LEU 102 N 2.99 2.43 0.77 1.79 1.43 -1.26 -2.27 118.68 124.56 2a11 s LEU 102 Ca 0.32 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2a11 s LEU 102 Cb -0.14 -0.88 0.05 0.00 0.03 0.00 0.00 46.19 45.25 2a11 s LEU 102 CO 0.13 -0.01 1.08 -0.83 0.23 0.00 0.00 176.35 176.96 2a11 s GLY 103 N -2.63 1.64 0.12 -3.19 0.00 -1.26 -4.52 107.32 97.48 2a11 s GLY 103 Ca 0.16 -0.08 -0.32 0.00 0.00 0.00 0.00 44.72 44.49 2a11 s GLY 103 CO 0.07 0.31 1.57 3.21 0.00 0.00 0.00 173.10 178.26 2a11 h ARG 104 N -1.00 -0.54 0.00 2.90 2.47 -1.97 0.40 114.38 116.64 2a11 h ARG 104 Ca -0.46 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2a11 h ARG 104 Cb 1.25 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2a11 h ARG 104 CO 0.58 -0.36 0.00 0.41 0.56 0.00 0.00 179.97 181.16 2a11 n GLY 105 N -1.44 -3.14 0.33 0.04 0.00 -1.26 -1.86 105.19 97.86 2a11 n GLY 105 Ca -0.05 0.42 0.27 0.00 0.00 0.00 0.00 46.02 46.66 2a11 n GLY 105 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2a11 h GLU 106 N 0.00 0.20 0.31 1.61 4.57 -1.92 -2.41 114.58 116.94 2a11 h GLU 106 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2a11 h GLU 106 Cb 0.00 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 2a11 h GLU 106 CO 0.00 0.13 -0.43 0.00 -1.18 0.00 0.00 179.01 177.53 2a11 h ALA 107 N 1.89 -1.03 0.00 2.92 0.00 0.55 -0.49 119.26 123.09 2a11 h ALA 107 Ca 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2a11 h ALA 107 Cb 1.90 0.72 0.00 0.00 0.00 0.00 0.00 17.79 20.41 2a11 h ALA 107 CO -0.65 -1.09 0.00 0.27 0.00 0.00 0.00 179.25 177.78 2a11 n ASN 108 N -4.99 0.00 -1.48 0.00 2.04 -0.92 -3.06 115.26 106.84 2a11 n ASN 108 Ca -0.09 -1.13 0.08 0.00 -0.44 0.00 0.00 54.58 53.01 2a11 n ASN 108 Cb 0.37 0.00 0.33 0.00 -2.53 0.00 0.00 39.78 37.95 2a11 n ASN 108 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2a11 n THR 109 N -0.90 1.67 -0.22 5.53 -2.24 -1.11 -4.88 114.28 112.13 2a11 n THR 109 Ca 0.18 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 2a11 n THR 109 Cb 0.08 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2a11 n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a11 n GLY 110 N 1.06 0.81 0.16 3.38 0.00 -1.17 -4.97 105.19 104.47 2a11 n GLY 110 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.28 2a11 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a11 n GLY 111 N -2.00 -0.77 0.00 -0.02 0.00 -0.21 0.71 105.19 102.90 2a11 n GLY 111 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 46.02 46.51 2a11 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a11 n ALA 112 N -3.83 1.46 -0.19 4.61 0.00 -1.26 -1.58 120.51 119.72 2a11 n ALA 112 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2a11 n ALA 112 Cb 0.22 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2a11 n ALA 112 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a11 n ASP 113 N -1.13 0.27 -4.59 0.00 4.64 0.22 -4.33 116.55 111.63 2a11 n ASP 113 Ca 0.01 -0.62 -0.42 0.00 -1.38 0.00 0.00 54.79 52.39 2a11 n ASP 113 Cb 0.01 0.32 -0.03 0.00 -1.04 0.00 0.00 41.12 40.38 2a11 n ASP 113 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2a11 s LYS 114 N -0.32 2.92 0.33 -0.67 2.20 -0.61 -4.81 119.74 118.78 2a11 s LYS 114 Ca 0.00 1.86 0.12 0.00 -0.36 0.00 0.00 55.97 57.59 2a11 s LYS 114 Cb 0.00 -4.41 1.02 0.00 -1.51 0.00 0.00 37.83 32.93 2a11 s LYS 114 CO 0.00 -2.34 1.65 0.66 -0.36 0.00 0.00 175.35 174.96 2a11 h SER 115 N 15.89 0.39 -0.31 1.43 4.64 -1.94 0.37 113.55 134.01 2a11 h SER 115 Ca -0.37 0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.21 2a11 h SER 115 Cb 1.24 0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 63.44 2a11 h SER 115 CO 1.01 -0.16 -0.12 -1.28 -0.87 0.00 0.00 176.83 175.41 2a11 h SER 116 N 0.28 -0.41 -0.42 4.97 0.87 -1.90 0.49 113.55 117.43 2a11 h SER 116 Ca 0.70 0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 61.24 2a11 h SER 116 Cb 1.58 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.78 2a11 h SER 116 CO -0.63 -0.15 -0.26 0.40 -0.53 0.00 0.00 176.83 175.66 2a11 h ILE 117 N -0.06 1.27 -0.76 2.23 2.04 -0.68 -2.32 117.51 119.24 2a11 h ILE 117 Ca 0.16 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.55 2a11 h ILE 117 Cb 0.30 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2a11 h ILE 117 CO -0.36 0.48 0.28 -0.07 0.00 0.00 0.00 178.15 178.48 2a11 h LEU 118 N 0.74 1.06 -0.09 1.44 3.38 -0.26 -0.46 115.31 121.13 2a11 h LEU 118 Ca 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2a11 h LEU 118 Cb 0.83 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2a11 h LEU 118 CO 0.07 0.96 0.02 0.00 0.09 0.00 0.00 178.44 179.58 2a11 h ALA 119 N 1.19 0.11 -0.66 1.53 0.00 0.02 -0.66 119.26 120.80 2a11 h ALA 119 Ca 0.25 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2a11 h ALA 119 Cb 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2a11 h ALA 119 CO -0.02 -0.24 0.39 -0.44 0.00 0.00 0.00 179.25 178.94 2a11 h ASP 120 N -0.09 0.62 -0.34 0.00 3.32 -1.24 -1.51 116.42 117.17 2a11 h ASP 120 Ca 0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2a11 h ASP 120 Cb 0.28 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2a11 h ASP 120 CO 0.00 0.42 0.22 1.23 -1.72 0.00 0.00 179.24 179.39 2a11 h GLY 121 N 0.75 0.49 0.68 2.75 0.00 -0.90 -0.38 103.07 106.45 2a11 h GLY 121 Ca 0.28 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.47 2a11 h GLY 121 CO -0.14 0.18 0.25 1.98 0.00 0.00 0.00 176.54 178.82 2a11 h MET 122 N 0.46 0.47 -0.51 4.80 1.85 -0.68 -1.62 114.93 119.69 2a11 h MET 122 Ca 0.13 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.14 2a11 h MET 122 Cb -0.04 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 31.86 2a11 h MET 122 CO -0.03 0.31 0.12 0.93 -0.40 0.00 0.00 176.91 177.85 2a11 h GLU 123 N 0.48 0.78 -0.74 0.39 5.08 -0.78 -2.51 114.58 117.29 2a11 h GLU 123 Ca 0.23 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2a11 h GLU 123 Cb 0.17 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2a11 h GLU 123 CO -0.18 0.71 0.39 0.77 -1.00 0.00 0.00 179.01 179.70 2a11 h SER 124 N 0.76 0.93 -0.49 1.42 0.02 -0.18 -0.44 113.55 115.57 2a11 h SER 124 Ca 0.17 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2a11 h SER 124 Cb 0.28 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2a11 h SER 124 CO -0.00 0.77 0.20 -0.07 -1.14 0.00 0.00 176.83 176.58 2a11 h LEU 125 N 1.02 0.66 -1.10 5.07 3.38 -1.03 0.18 115.31 123.49 2a11 h LEU 125 Ca 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2a11 h LEU 125 Cb 0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2a11 h LEU 125 CO -0.04 0.64 0.49 -0.07 0.09 0.00 0.00 178.44 179.56 2a11 h LEU 126 N 0.64 0.98 -0.42 1.67 3.38 -1.18 0.22 115.31 120.60 2a11 h LEU 126 Ca 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2a11 h LEU 126 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2a11 h LEU 126 CO -0.01 0.75 0.18 1.23 0.09 0.00 0.00 178.44 180.67 2a11 h GLY 127 N 1.14 0.66 0.96 0.83 0.00 -0.33 -1.27 103.07 105.07 2a11 h GLY 127 Ca 0.29 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 2a11 h GLY 127 CO -0.06 0.33 0.09 0.00 0.00 0.00 0.00 176.54 176.90 2a11 h ALA 128 N 1.02 0.59 -0.40 3.60 0.00 0.74 -1.22 119.26 123.60 2a11 h ALA 128 Ca 0.14 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2a11 h ALA 128 Cb 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2a11 h ALA 128 CO -0.01 0.30 0.19 0.82 0.00 0.00 0.00 179.25 180.55 2a11 h ILE 129 N 0.60 0.96 -0.58 0.00 2.04 -0.45 0.60 117.51 120.68 2a11 h ILE 129 Ca 0.14 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 2a11 h ILE 129 Cb 0.36 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2a11 h ILE 129 CO 0.01 0.07 0.17 0.22 0.00 0.00 0.00 178.15 178.62 2a11 h TYR 130 N 0.39 0.89 -0.39 1.37 3.20 -1.10 0.24 116.97 121.58 2a11 h TYR 130 Ca 0.17 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 2a11 h TYR 130 Cb 0.09 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2a11 h TYR 130 CO -0.11 0.73 -0.19 1.25 -1.64 0.00 0.00 178.16 178.20 2a11 h LEU 131 N 0.85 0.84 0.04 2.82 5.85 -0.41 -0.72 115.31 124.58 2a11 h LEU 131 Ca 0.19 -0.41 -0.27 0.00 0.84 0.00 0.00 57.88 58.23 2a11 h LEU 131 Cb 0.26 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 41.08 2a11 h LEU 131 CO -0.01 1.06 -1.07 -0.61 -0.34 0.00 0.00 178.44 177.48 2a11 h GLN 132 N 0.62 0.66 0.00 1.25 5.75 -0.61 -3.41 115.11 119.37 2a11 h GLN 132 Ca 0.09 -0.76 -0.19 0.00 -0.15 0.00 0.00 58.65 57.64 2a11 h GLN 132 Cb 0.75 0.23 -0.04 0.00 1.07 0.00 0.00 27.48 29.49 2a11 h GLN 132 CO 0.06 1.33 -1.71 0.72 -2.65 0.00 0.00 178.83 176.58 2a11 n HIS 133 N -3.87 0.00 0.00 3.99 8.25 0.81 -5.10 115.22 119.30 2a11 n HIS 133 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2a11 n HIS 133 Cb 0.90 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.50 2a11 n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a11 n GLY 134 N 2.49 2.51 0.20 -1.41 0.00 -0.28 -4.81 105.19 103.91 2a11 n GLY 134 Ca -0.18 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.74 2a11 n GLY 134 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2a11 h MET 135 N 0.00 -0.05 -0.88 1.61 4.05 -1.93 -2.43 114.93 115.29 2a11 h MET 135 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2a11 h MET 135 Cb 0.00 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.77 2a11 h MET 135 CO 0.00 -0.04 0.46 0.93 0.23 0.00 0.00 176.91 178.49 2a11 h GLU 136 N -0.05 1.25 -0.28 0.39 4.39 -1.98 0.50 114.58 118.79 2a11 h GLU 136 Ca 0.20 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 2a11 h GLU 136 Cb 0.35 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2a11 h GLU 136 CO -0.44 0.93 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.05 2a11 h LYS 137 N 1.24 0.54 -0.89 2.33 1.63 -1.85 -0.20 116.57 119.38 2a11 h LYS 137 Ca 0.31 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 59.92 2a11 h LYS 137 Cb 0.07 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.62 2a11 h LYS 137 CO -0.04 0.75 0.58 0.00 -3.45 0.00 0.00 179.45 177.29 2a11 h ALA 138 N 0.78 1.16 0.02 5.00 0.00 -1.01 -0.93 119.26 124.27 2a11 h ALA 138 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2a11 h ALA 138 Cb 0.55 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2a11 h ALA 138 CO 0.03 0.46 -0.16 -0.09 0.00 0.00 0.00 179.25 179.49 2a11 h ARG 139 N 1.15 -0.27 0.02 0.00 2.43 0.42 -0.18 114.38 117.96 2a11 h ARG 139 Ca 0.35 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.55 2a11 h ARG 139 Cb -0.04 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 2a11 h ARG 139 CO -0.10 -0.18 -0.47 0.93 -1.51 0.00 0.00 179.97 178.64 2a11 h GLU 140 N -0.28 -0.59 -0.58 0.20 5.08 -0.25 0.49 114.58 118.65 2a11 h GLU 140 Ca 0.05 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.56 2a11 h GLU 140 Cb 0.33 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.61 2a11 h GLU 140 CO -0.14 -0.39 -0.10 0.28 -1.00 0.00 0.00 179.01 177.66 2a11 h VAL 141 N -0.61 0.45 -0.47 3.13 2.07 -1.01 -0.35 116.25 119.46 2a11 h VAL 141 Ca 0.01 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2a11 h VAL 141 Cb 0.64 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2a11 h VAL 141 CO -0.30 0.01 0.11 0.40 0.02 0.00 0.00 177.57 177.81 2a11 h ILE 142 N 0.03 1.24 -0.39 4.57 2.04 -0.38 -0.66 117.51 123.95 2a11 h ILE 142 Ca 0.29 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.35 2a11 h ILE 142 Cb 0.44 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2a11 h ILE 142 CO -0.57 0.30 0.26 -0.07 0.00 0.00 0.00 178.15 178.07 2a11 h LEU 143 N 0.63 0.35 0.32 1.44 -0.00 0.13 -0.02 115.31 118.16 2a11 h LEU 143 Ca 0.15 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.01 2a11 h LEU 143 Cb 0.33 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2a11 h LEU 143 CO 0.00 0.24 -0.15 -0.09 -0.00 0.00 0.00 178.44 178.44 2a11 h ARG 144 N 0.40 -0.41 -0.32 1.13 2.43 -0.49 0.17 114.38 117.29 2a11 h ARG 144 Ca 0.16 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2a11 h ARG 144 Cb 0.14 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2a11 h ARG 144 CO -0.04 -0.12 0.07 -0.07 -1.51 0.00 0.00 179.97 178.30 2a11 h LEU 145 N -0.99 0.42 -2.41 3.80 4.07 -0.99 -2.68 115.31 116.53 2a11 h LEU 145 Ca -0.04 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2a11 h LEU 145 Cb 0.49 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2a11 h LEU 145 CO 0.07 0.44 0.00 0.49 -1.08 0.00 0.00 178.44 178.36 2a11 n PHE 146 N -4.35 0.56 -0.35 1.13 3.72 -0.04 -4.53 117.46 113.60 2a11 n PHE 146 Ca 0.01 -0.30 0.12 0.00 -0.05 0.00 0.00 57.45 57.24 2a11 n PHE 146 Cb 0.18 -0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.03 2a11 n PHE 146 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2a11 h GLY 147 N 4.22 1.78 0.22 1.37 0.00 -0.29 -1.63 103.07 108.74 2a11 h GLY 147 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2a11 h GLY 147 CO 0.00 -0.05 -0.09 -2.55 0.00 0.00 0.00 176.54 173.85 2a11 h PRO 148 N 0.78 -0.23 -1.24 4.80 0.11 -1.80 -3.16 132.00 131.25 2a11 h PRO 148 Ca 0.57 0.02 0.36 0.00 0.11 0.00 0.00 66.00 67.06 2a11 h PRO 148 Cb 0.86 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.96 2a11 h PRO 148 CO -0.37 -0.01 0.87 1.25 -0.21 0.00 0.00 178.00 179.53 2a11 h LEU 149 N -1.02 0.09 0.71 2.35 5.85 -1.84 0.12 115.31 121.57 2a11 h LEU 149 Ca -0.02 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2a11 h LEU 149 Cb 0.34 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.38 2a11 h LEU 149 CO 0.04 0.00 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.73 2a11 h LEU 150 N 0.07 -0.80 -2.12 2.25 3.38 -1.36 -1.06 115.31 115.67 2a11 h LEU 150 Ca 0.62 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.68 2a11 h LEU 150 Cb 2.30 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 43.24 2a11 h LEU 150 CO -0.08 -0.45 0.28 0.44 0.09 0.00 0.00 178.44 178.72 2a11 h ASP 151 N -1.19 0.00 0.01 -0.43 3.32 -0.79 -0.19 116.42 117.15 2a11 h ASP 151 Ca -0.10 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.71 2a11 h ASP 151 Cb 0.75 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.32 2a11 h ASP 151 CO 0.16 0.00 -0.96 0.00 -1.72 0.00 0.00 179.24 176.72 2a11 h ALA 152 N 1.70 0.11 -0.99 3.45 0.00 -1.00 -3.35 119.26 119.18 2a11 h ALA 152 Ca 0.13 -0.67 0.29 0.00 0.00 0.00 0.00 54.91 54.66 2a11 h ALA 152 Cb 0.70 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.36 2a11 h ALA 152 CO -0.00 0.61 0.10 0.00 0.00 0.00 0.00 179.25 179.95 2a11 n ALA 153 N -2.64 0.58 0.12 0.00 0.00 -0.08 -0.49 120.51 118.00 2a11 n ALA 153 Ca -0.11 1.05 0.06 0.00 0.00 0.00 0.00 53.44 54.44 2a11 n ALA 153 Cb 0.84 -0.81 0.30 0.00 0.00 0.00 0.00 19.45 19.79 2a11 n ALA 153 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2a11 n PRO 154 N -5.45 0.07 0.00 0.00 -0.02 -1.25 -4.90 135.00 123.46 2a11 n PRO 154 Ca 0.25 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2a11 n PRO 154 Cb 0.84 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2a11 n PRO 154 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89