#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bru s VAL 17 N 0.00 5.03 -0.21 2.52 1.01 -0.42 -4.10 120.40 124.23 1bru s VAL 17 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1bru s VAL 17 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1bru s VAL 17 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1bru n GLY 18 N 2.00 0.51 0.00 4.51 0.00 -1.26 -2.27 105.19 108.69 1bru n GLY 18 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1bru n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bru n GLY 19 N -1.85 2.01 3.29 -0.02 0.00 -1.26 -4.81 105.19 102.55 1bru n GLY 19 Ca -0.02 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1bru n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bru s GLU 20 N 3.15 1.09 0.19 1.61 -1.05 0.44 -4.97 118.70 119.17 1bru s GLU 20 Ca 0.00 -1.24 -0.33 0.00 -0.15 0.00 0.00 54.97 53.26 1bru s GLU 20 Cb 0.00 0.34 -0.13 0.00 -0.44 0.00 0.00 34.13 33.90 1bru s GLU 20 CO 0.00 -0.38 1.60 -0.25 0.95 0.00 0.00 175.26 177.19 1bru n ASP 21 N -0.18 3.37 -4.76 0.83 8.00 -1.26 -0.09 116.55 122.46 1bru n ASP 21 Ca -0.07 1.09 -0.32 0.00 0.71 0.00 0.00 54.79 56.19 1bru n ASP 21 Cb 0.63 -1.48 0.07 0.00 -0.02 0.00 0.00 41.12 40.32 1bru n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bru s ALA 22 N 0.82 2.33 0.31 2.24 0.00 0.12 -4.69 121.76 122.88 1bru s ALA 22 Ca 0.76 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 1bru s ALA 22 Cb -0.61 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.08 1bru s ALA 22 CO 0.38 -1.55 1.34 1.03 0.00 0.00 0.00 175.76 176.96 1bru s ARG 23 N -4.37 4.33 -0.01 0.00 0.52 -1.26 -4.91 118.95 113.24 1bru s ARG 23 Ca 0.66 2.24 -0.38 0.00 -0.52 0.00 0.00 55.73 57.72 1bru s ARG 23 Cb -0.20 -3.08 -0.17 0.00 0.52 0.00 0.00 34.95 32.01 1bru s ARG 23 CO 0.47 -0.25 1.35 -2.30 0.02 0.00 0.00 175.30 174.60 1bru n PRO 24 N 1.20 0.85 -1.03 3.54 -0.02 -1.26 -1.46 135.00 136.82 1bru n PRO 24 Ca 0.02 0.31 -0.01 0.00 -2.02 0.00 0.00 63.50 61.80 1bru n PRO 24 Cb 0.41 -1.92 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1bru n PRO 24 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1bru n ASN 25 N 2.79 -5.82 0.04 2.55 4.13 -1.26 -4.82 115.26 112.85 1bru n ASN 25 Ca 0.20 0.02 0.11 0.00 1.68 0.00 0.00 54.58 56.60 1bru n ASN 25 Cb 0.15 -3.40 0.47 0.00 -1.54 0.00 0.00 39.78 35.45 1bru n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1bru n SER 26 N -0.96 0.23 -3.69 6.41 3.41 -0.54 -3.69 113.62 114.80 1bru n SER 26 Ca -0.01 0.54 -0.28 0.00 -0.26 0.00 0.00 58.87 58.85 1bru n SER 26 Cb 0.48 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 1bru n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1bru n TRP 27 N -1.74 3.49 0.58 7.33 7.02 -1.26 -4.94 117.44 127.92 1bru n TRP 27 Ca 0.05 -4.19 0.08 0.00 -1.02 0.00 0.00 57.50 52.42 1bru n TRP 27 Cb 0.29 -0.64 0.37 0.00 -2.42 0.00 0.00 31.31 28.91 1bru n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1bru n PRO 28 N 1.42 0.01 0.00 -0.99 -0.04 -1.24 -1.83 135.00 132.33 1bru n PRO 28 Ca 0.25 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 1bru n PRO 28 Cb 0.38 -1.52 0.48 0.00 -0.04 0.00 0.00 33.50 32.81 1bru n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bru n TRP 29 N -1.53 0.00 -2.57 0.54 2.14 -1.24 -1.88 117.44 112.90 1bru n TRP 29 Ca 0.04 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 1bru n TRP 29 Cb 0.20 -0.22 -0.03 0.00 -0.81 0.00 0.00 31.31 30.45 1bru n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1bru s GLN 30 N -2.64 4.54 0.18 -2.67 2.00 -0.76 -0.64 119.66 119.66 1bru s GLN 30 Ca 0.23 1.61 0.08 0.00 -2.00 0.00 0.00 55.36 55.27 1bru s GLN 30 Cb 0.19 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 1bru s GLN 30 CO 0.54 -0.07 -0.05 0.08 -0.50 0.00 0.00 175.29 175.28 1bru s VAL 31 N 0.68 3.41 -0.24 1.34 1.01 0.15 -4.44 120.40 122.31 1bru s VAL 31 Ca 0.53 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 1bru s VAL 31 Cb -0.26 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1bru s VAL 31 CO 0.30 -0.12 0.15 -0.55 0.00 0.00 0.00 175.10 174.87 1bru s SER 32 N -2.91 5.96 -0.29 3.32 0.15 0.35 -2.96 113.70 117.31 1bru s SER 32 Ca 0.26 0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.84 1bru s SER 32 Cb -0.09 -2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1bru s SER 32 CO 0.17 0.05 0.30 -0.22 1.20 0.00 0.00 173.24 174.74 1bru s LEU 33 N 1.14 4.15 0.11 3.45 2.96 0.11 -0.25 118.68 130.35 1bru s LEU 33 Ca 0.07 0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.11 1bru s LEU 33 Cb -0.14 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1bru s LEU 33 CO 0.05 -0.17 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.55 1bru s GLN 34 N 1.93 1.38 0.28 1.98 -0.21 0.07 -1.37 119.66 123.72 1bru s GLN 34 Ca 0.11 -1.25 0.07 0.00 0.02 0.00 0.00 55.36 54.31 1bru s GLN 34 Cb -0.16 -1.76 -0.06 0.00 1.00 0.00 0.00 33.01 32.03 1bru s GLN 34 CO 0.11 0.42 -0.07 1.52 -2.12 0.00 0.00 175.29 175.15 1bru s TYR 35 N -1.04 1.98 0.84 0.91 1.13 -0.28 -1.20 117.35 119.70 1bru s TYR 35 Ca 0.11 -0.66 -0.12 0.00 -1.41 0.00 0.00 57.07 55.00 1bru s TYR 35 Cb -0.10 -1.11 0.13 0.00 -1.10 0.00 0.00 41.96 39.78 1bru s TYR 35 CO 0.05 0.33 1.19 0.34 -2.51 0.00 0.00 175.55 174.95 1bru s ASP 36 N -3.45 4.02 0.00 -0.18 2.15 -0.31 -0.97 116.67 117.92 1bru s ASP 36 Ca 0.29 0.44 0.00 0.00 0.43 0.00 0.00 52.55 53.72 1bru s ASP 36 Cb 0.03 -0.78 0.00 0.00 -0.30 0.00 0.00 42.92 41.87 1bru s ASP 36 CO 0.12 -2.17 0.00 -1.20 -0.17 0.00 0.00 175.17 171.75 1bru n SER 36 N -3.39 0.00 0.00 -0.34 7.64 -1.26 -4.79 113.62 111.49 1bru n SER 36 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1bru n SER 36 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1bru n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bru n GLY 36 N 0.74 0.47 3.58 0.23 0.00 -1.26 -5.02 105.19 103.93 1bru n GLY 36 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1bru n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bru s GLN 37 N -0.58 2.90 -0.08 1.61 1.11 -1.26 -5.08 119.66 118.28 1bru s GLN 37 Ca 0.00 -0.53 -0.30 0.00 0.01 0.00 0.00 55.36 54.54 1bru s GLN 37 Cb 0.00 -2.65 -0.03 0.00 -1.01 0.00 0.00 33.01 29.32 1bru s GLN 37 CO 0.00 0.61 1.22 -1.58 0.01 0.00 0.00 175.29 175.55 1bru s TRP 38 N -0.65 3.10 -0.16 0.91 0.52 -1.26 -4.46 118.94 116.94 1bru s TRP 38 Ca 0.10 1.16 0.01 0.00 0.02 0.00 0.00 56.10 57.38 1bru s TRP 38 Cb -0.12 -3.45 0.02 0.00 -1.15 0.00 0.00 33.47 28.78 1bru s TRP 38 CO 0.02 -1.44 -0.18 0.50 0.02 0.00 0.00 176.95 175.87 1bru s ARG 39 N 2.50 2.71 0.15 4.98 6.06 -0.15 -4.94 118.95 130.26 1bru s ARG 39 Ca 0.56 -0.72 -0.34 0.00 -2.50 0.00 0.00 55.73 52.72 1bru s ARG 39 Cb -0.24 -2.36 -0.15 0.00 0.06 0.00 0.00 34.95 32.26 1bru s ARG 39 CO 0.20 -0.20 1.44 1.58 -2.50 0.00 0.00 175.30 175.83 1bru n HIS 40 N 4.61 1.93 0.00 5.12 -0.00 -1.26 -1.13 115.22 124.49 1bru n HIS 40 Ca -0.19 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 1bru n HIS 40 Cb 0.50 -2.44 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 1bru n HIS 40 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1bru n THR 41 N 2.70 0.00 -4.00 3.57 5.66 -0.47 -4.90 114.28 116.84 1bru n THR 41 Ca 0.16 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.07 1bru n THR 41 Cb 0.26 -0.47 -0.07 0.00 -1.55 0.00 0.00 70.33 68.50 1bru n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bru n GLY 43 N -0.22 1.03 3.80 0.00 0.00 0.62 0.05 105.19 110.47 1bru n GLY 43 Ca -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1bru n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bru s GLY 44 N -3.61 -0.20 -0.06 -0.02 0.00 -1.16 -3.73 107.32 98.54 1bru s GLY 44 Ca 0.32 0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.26 1bru s GLY 44 CO 0.21 2.27 -0.09 -1.59 0.00 0.00 0.00 173.10 173.90 1bru s THR 45 N -2.35 0.93 -0.06 0.90 2.01 0.22 -0.67 115.64 116.61 1bru s THR 45 Ca 0.20 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 1bru s THR 45 Cb 0.01 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 1bru s THR 45 CO -0.00 0.32 1.62 -0.22 -0.69 0.00 0.00 174.62 175.64 1bru s LEU 46 N 0.87 4.31 0.00 4.42 2.96 0.19 -0.33 118.68 131.11 1bru s LEU 46 Ca -0.11 2.19 0.03 0.00 -0.22 0.00 0.00 54.13 56.02 1bru s LEU 46 Cb -0.15 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1bru s LEU 46 CO 0.01 -0.91 0.13 0.55 -1.32 0.00 0.00 176.35 174.82 1bru n VAL 47 N 5.44 0.00 -3.44 1.68 3.14 0.43 -0.33 118.33 125.25 1bru n VAL 47 Ca 0.17 -0.44 -0.12 0.00 -2.96 0.00 0.00 64.34 60.98 1bru n VAL 47 Cb 0.43 1.00 -0.02 0.00 -1.06 0.00 0.00 33.84 34.19 1bru n VAL 47 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bru s ASP 48 N -1.19 -0.56 0.61 6.55 -1.08 -1.18 -4.73 116.67 115.09 1bru s ASP 48 Ca 0.01 0.08 0.31 0.00 -0.52 0.00 0.00 52.55 52.43 1bru s ASP 48 Cb 0.02 0.57 1.67 0.00 -1.46 0.00 0.00 42.92 43.72 1bru s ASP 48 CO 0.10 -0.90 1.93 1.56 0.52 0.00 0.00 175.17 178.38 1bru h GLN 49 N 2.12 0.00 -0.01 4.34 4.20 -1.95 -1.78 115.11 122.02 1bru h GLN 49 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1bru h GLN 49 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1bru h GLN 49 CO 0.37 0.00 -0.10 0.43 -0.67 0.00 0.00 178.83 178.86 1bru n SER 50 N -2.80 1.69 -3.92 1.46 7.64 -1.26 -1.47 113.62 114.96 1bru n SER 50 Ca -0.02 -1.34 -0.19 0.00 1.01 0.00 0.00 58.87 58.32 1bru n SER 50 Cb 0.29 0.21 -0.16 0.00 -1.01 0.00 0.00 64.21 63.54 1bru n SER 50 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1bru s TRP 51 N -1.21 0.74 -0.13 1.43 0.52 -0.67 -0.56 118.94 119.06 1bru s TRP 51 Ca 0.12 -0.19 -0.05 0.00 0.02 0.00 0.00 56.10 56.00 1bru s TRP 51 Cb 0.10 -0.62 -0.04 0.00 -1.15 0.00 0.00 33.47 31.76 1bru s TRP 51 CO 0.21 -0.15 0.03 0.08 0.02 0.00 0.00 176.95 177.14 1bru s VAL 52 N 0.66 4.50 -0.02 4.03 1.01 0.32 -0.42 120.40 130.47 1bru s VAL 52 Ca -0.09 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.53 1bru s VAL 52 Cb -0.12 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1bru s VAL 52 CO 0.00 0.54 0.57 -0.22 0.00 0.00 0.00 175.10 175.99 1bru s LEU 53 N -0.24 4.39 0.00 3.92 2.96 0.55 0.15 118.68 130.42 1bru s LEU 53 Ca 0.07 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 1bru s LEU 53 Cb -0.12 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.69 1bru s LEU 53 CO 0.02 0.09 0.00 1.07 -1.32 0.00 0.00 176.35 176.20 1bru n THR 54 N 2.87 0.00 -3.41 3.68 5.66 -0.36 -0.61 114.28 122.11 1bru n THR 54 Ca -0.07 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.55 1bru n THR 54 Cb 0.51 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.23 1bru n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bru s ALA 55 N -1.35 3.58 0.47 1.79 0.00 -1.26 -1.50 121.76 123.49 1bru s ALA 55 Ca 0.00 -0.21 0.27 0.00 0.00 0.00 0.00 51.96 52.02 1bru s ALA 55 Cb 0.00 -2.52 1.32 0.00 0.00 0.00 0.00 23.12 21.92 1bru s ALA 55 CO 0.00 0.22 1.81 0.00 0.00 0.00 0.00 175.76 177.79 1bru h ALA 56 N 5.79 2.63 0.00 0.00 0.00 -1.70 -1.30 119.26 124.68 1bru h ALA 56 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1bru h ALA 56 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bru h ALA 56 CO 0.69 -0.98 0.00 -2.39 0.00 0.00 0.00 179.25 176.57 1bru n HIS 57 N -4.41 0.45 1.01 0.00 1.44 -1.26 -1.94 115.22 110.50 1bru n HIS 57 Ca 0.24 0.18 0.13 0.00 -2.01 0.00 0.00 57.72 56.26 1bru n HIS 57 Cb 1.00 -0.79 0.61 0.00 0.12 0.00 0.00 29.99 30.94 1bru n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bru s ILE 59 N -2.94 4.80 -0.17 0.00 -1.09 -0.82 -4.98 121.20 116.00 1bru s ILE 59 Ca 0.15 -0.01 -0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1bru s ILE 59 Cb 0.18 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1bru s ILE 59 CO 0.50 0.35 -0.14 -0.55 -1.23 0.00 0.00 174.94 173.86 1bru s SER 60 N 1.27 3.66 0.61 3.58 0.15 -1.26 -5.01 113.70 116.70 1bru s SER 60 Ca 0.06 -0.49 0.28 0.00 0.70 0.00 0.00 55.95 56.49 1bru s SER 60 Cb -0.14 -1.58 1.43 0.00 -1.71 0.00 0.00 66.02 64.02 1bru s SER 60 CO 0.05 0.05 1.84 0.77 1.20 0.00 0.00 173.24 177.14 1bru h SER 61 N 7.58 0.00 1.21 5.45 4.64 -1.99 0.21 113.55 130.66 1bru h SER 61 Ca -0.37 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.91 1bru h SER 61 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1bru h SER 61 CO 0.59 0.00 -0.19 0.77 -0.87 0.00 0.00 176.83 177.13 1bru h SER 62 N 0.00 0.00 -4.04 4.97 4.64 -2.04 -3.47 113.55 113.62 1bru h SER 62 Ca 0.17 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.00 1bru h SER 62 Cb 1.19 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.32 1bru h SER 62 CO -0.00 0.19 0.29 -0.13 -0.87 0.00 0.00 176.83 176.31 1bru s ARG 63 N -3.47 3.68 -0.13 4.77 0.52 0.74 -5.06 118.95 120.00 1bru s ARG 63 Ca 0.02 0.61 -0.05 0.00 -0.52 0.00 0.00 55.73 55.79 1bru s ARG 63 Cb 0.09 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 1bru s ARG 63 CO 0.64 -0.34 0.04 -0.08 0.02 0.00 0.00 175.30 175.58 1bru s THR 64 N -2.85 4.63 -0.07 0.02 -1.32 -1.26 -4.95 115.64 109.84 1bru s THR 64 Ca 0.53 -0.11 0.01 0.00 -1.21 0.00 0.00 61.69 60.92 1bru s THR 64 Cb -0.11 -3.02 -0.03 0.00 -1.51 0.00 0.00 72.50 67.84 1bru s THR 64 CO 0.44 0.54 -0.09 -0.31 -2.21 0.00 0.00 174.62 173.00 1bru s TYR 65 N -0.32 2.88 0.16 9.09 2.02 -1.26 -1.16 117.35 128.77 1bru s TYR 65 Ca 0.08 -0.08 0.06 0.00 -0.37 0.00 0.00 57.07 56.76 1bru s TYR 65 Cb -0.12 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1bru s TYR 65 CO 0.02 0.24 -0.13 -0.98 -1.57 0.00 0.00 175.55 173.13 1bru s ARG 65 N -0.65 1.16 -0.10 -0.62 1.70 -0.34 -2.09 118.95 118.01 1bru s ARG 65 Ca 0.10 -1.46 0.02 0.00 -0.47 0.00 0.00 55.73 53.92 1bru s ARG 65 Cb -0.11 -0.90 -0.01 0.00 -0.57 0.00 0.00 34.95 33.35 1bru s ARG 65 CO 0.02 0.15 -0.16 0.08 -1.08 0.00 0.00 175.30 174.30 1bru s VAL 66 N -2.89 2.81 -0.19 4.99 1.01 -0.42 -0.75 120.40 124.96 1bru s VAL 66 Ca 0.17 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1bru s VAL 66 Cb -0.01 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1bru s VAL 66 CO 0.04 0.55 0.03 -0.69 0.00 0.00 0.00 175.10 175.02 1bru s VAL 67 N 0.07 4.35 0.16 2.92 1.01 0.66 -1.10 120.40 128.47 1bru s VAL 67 Ca -0.07 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.83 1bru s VAL 67 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1bru s VAL 67 CO 0.05 0.45 -0.20 -0.76 0.00 0.00 0.00 175.10 174.64 1bru s LEU 68 N 0.63 2.61 -0.98 3.92 1.02 0.72 -0.50 118.68 126.09 1bru s LEU 68 Ca 0.01 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.45 1bru s LEU 68 Cb -0.14 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.69 1bru s LEU 68 CO 0.02 0.14 0.00 0.61 0.02 0.00 0.00 176.35 177.14 1bru n GLY 69 N 0.44 0.65 3.90 -3.19 0.00 -1.26 -1.52 105.19 104.22 1bru n GLY 69 Ca -0.14 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 1bru n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bru s ARG 70 N -3.55 3.30 0.12 1.61 6.06 -1.26 -4.09 118.95 121.15 1bru s ARG 70 Ca 0.00 -0.65 0.00 0.00 -2.50 0.00 0.00 55.73 52.58 1bru s ARG 70 Cb 0.00 -2.89 0.00 0.00 0.06 0.00 0.00 34.95 32.12 1bru s ARG 70 CO 0.00 0.52 0.00 1.58 -2.50 0.00 0.00 175.30 174.90 1bru n HIS 71 N -0.41 -0.40 -2.75 5.12 -0.00 -1.26 -4.70 115.22 110.82 1bru n HIS 71 Ca -0.07 0.07 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1bru n HIS 71 Cb 0.54 0.10 -0.03 0.00 -0.00 0.00 0.00 29.99 30.60 1bru n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1bru s SER 72 N -5.75 7.06 0.54 0.26 0.15 -1.26 -1.69 113.70 113.01 1bru s SER 72 Ca 0.00 1.31 0.21 0.00 0.70 0.00 0.00 55.95 58.17 1bru s SER 72 Cb 0.00 -2.51 1.40 0.00 -1.71 0.00 0.00 66.02 63.20 1bru s SER 72 CO 0.00 -0.53 2.11 -0.07 1.20 0.00 0.00 173.24 175.95 1bru h LEU 73 N 8.83 0.00 0.00 3.45 3.38 -1.14 -3.21 115.31 126.61 1bru h LEU 73 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1bru h LEU 73 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1bru h LEU 73 CO 0.90 0.00 -1.22 -1.54 0.09 0.00 0.00 178.44 176.67 1bru n SER 74 N -4.35 0.57 -4.67 -0.43 3.41 -1.26 -4.90 113.62 101.99 1bru n SER 74 Ca 0.01 0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 58.28 1bru n SER 74 Cb 0.25 0.92 -0.08 0.00 -0.26 0.00 0.00 64.21 65.04 1bru n SER 74 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1bru s THR 75 N -3.33 5.24 -0.72 6.66 2.01 -1.22 -4.99 115.64 119.29 1bru s THR 75 Ca -0.00 0.59 -0.26 0.00 0.31 0.00 0.00 61.69 62.32 1bru s THR 75 Cb 0.12 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1bru s THR 75 CO 0.82 0.28 1.63 0.21 -0.69 0.00 0.00 174.62 176.86 1bru s ASN 76 N 1.03 5.67 0.25 3.53 2.47 -1.26 -4.82 114.94 121.80 1bru s ASN 76 Ca 0.16 -0.19 -0.26 0.00 0.42 0.00 0.00 52.86 53.00 1bru s ASN 76 Cb -0.14 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 37.02 1bru s ASN 76 CO 0.07 -2.15 0.86 -1.61 -3.72 0.00 0.00 177.10 170.55 1bru s GLU 77 N 6.41 4.58 0.29 0.43 2.02 -1.26 -5.01 118.70 126.16 1bru s GLU 77 Ca 0.54 1.24 -0.30 0.00 0.02 0.00 0.00 54.97 56.47 1bru s GLU 77 Cb -0.09 -3.04 -0.13 0.00 0.10 0.00 0.00 34.13 30.97 1bru s GLU 77 CO 0.14 0.43 1.38 -0.35 0.02 0.00 0.00 175.26 176.88 1bru n PRO 78 N 1.06 2.14 -0.24 0.39 -0.04 -1.26 -1.00 135.00 136.05 1bru n PRO 78 Ca -0.02 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1bru n PRO 78 Cb 0.49 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1bru n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bru n GLY 79 N 1.59 2.46 3.85 0.55 0.00 -1.26 -5.02 105.19 107.37 1bru n GLY 79 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1bru n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bru s SER 80 N -3.72 6.65 -0.04 1.61 1.04 -0.17 -4.74 113.70 114.34 1bru s SER 80 Ca 0.00 1.37 -0.01 0.00 0.48 0.00 0.00 55.95 57.79 1bru s SER 80 Cb 0.00 -2.42 0.03 0.00 0.10 0.00 0.00 66.02 63.73 1bru s SER 80 CO 0.00 -0.42 0.07 -0.22 0.98 0.00 0.00 173.24 173.65 1bru s LEU 81 N -3.68 0.86 -0.15 2.42 2.96 -0.57 -4.93 118.68 115.58 1bru s LEU 81 Ca 0.56 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 54.51 1bru s LEU 81 Cb -0.10 0.07 -0.05 0.00 0.50 0.00 0.00 46.19 46.62 1bru s LEU 81 CO 0.26 -0.15 0.15 0.00 -1.32 0.00 0.00 176.35 175.30 1bru s ALA 82 N 1.22 3.77 -0.03 5.97 0.00 -1.26 -0.20 121.76 131.23 1bru s ALA 82 Ca -0.08 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1bru s ALA 82 Cb -0.12 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1bru s ALA 82 CO -0.04 0.38 -0.14 0.08 0.00 0.00 0.00 175.76 176.04 1bru s VAL 83 N -0.34 1.20 0.36 0.00 1.01 -0.26 -4.97 120.40 117.41 1bru s VAL 83 Ca 0.12 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 1bru s VAL 83 Cb -0.12 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 1bru s VAL 83 CO 0.02 0.35 1.27 -0.75 0.00 0.00 0.00 175.10 175.98 1bru s LYS 84 N -0.02 4.20 -0.15 2.72 2.20 -1.26 -1.31 119.74 126.11 1bru s LYS 84 Ca -0.01 2.10 -0.17 0.00 -0.36 0.00 0.00 55.97 57.53 1bru s LYS 84 Cb -0.09 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1bru s LYS 84 CO 0.01 -0.28 0.45 0.08 -0.36 0.00 0.00 175.35 175.25 1bru s VAL 85 N -1.23 5.19 -0.02 4.02 1.01 -0.89 0.27 120.40 128.76 1bru s VAL 85 Ca 0.53 0.87 0.08 0.00 0.00 0.00 0.00 61.98 63.45 1bru s VAL 85 Cb -0.37 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.11 1bru s VAL 85 CO 0.48 0.30 0.15 -1.54 0.00 0.00 0.00 175.10 174.49 1bru n SER 86 N 3.98 3.23 -3.84 3.32 3.41 0.19 -4.77 113.62 119.13 1bru n SER 86 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 1bru n SER 86 Cb 0.51 1.24 -0.15 0.00 -0.26 0.00 0.00 64.21 65.56 1bru n SER 86 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1bru s LYS 87 N -2.48 0.06 -0.28 4.33 2.20 -1.09 -4.97 119.74 117.51 1bru s LYS 87 Ca -0.03 0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 55.57 1bru s LYS 87 Cb 0.04 -0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 1bru s LYS 87 CO 0.32 -0.06 0.07 -0.51 -0.36 0.00 0.00 175.35 174.81 1bru s LEU 88 N 0.43 3.73 -0.38 5.43 1.43 -1.26 -0.46 118.68 127.59 1bru s LEU 88 Ca -0.04 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1bru s LEU 88 Cb -0.06 -1.87 0.11 0.00 0.03 0.00 0.00 46.19 44.40 1bru s LEU 88 CO -0.01 -0.16 0.14 -0.69 0.23 0.00 0.00 176.35 175.85 1bru s VAL 89 N 1.50 2.80 0.26 -1.59 1.01 0.35 -5.00 120.40 119.73 1bru s VAL 89 Ca 0.03 -2.25 -0.28 0.00 0.00 0.00 0.00 61.98 59.48 1bru s VAL 89 Cb -0.17 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1bru s VAL 89 CO 0.02 -0.66 0.91 -0.69 0.00 0.00 0.00 175.10 174.68 1bru s VAL 90 N 0.96 4.18 0.13 2.92 1.01 -1.26 -0.83 120.40 127.51 1bru s VAL 90 Ca 0.10 1.91 -0.35 0.00 0.00 0.00 0.00 61.98 63.64 1bru s VAL 90 Cb -0.21 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 31.85 1bru s VAL 90 CO -0.06 0.36 1.52 1.57 0.00 0.00 0.00 175.10 178.49 1bru n HIS 91 N 1.13 2.06 0.30 5.22 -0.00 -0.16 -4.86 115.22 118.91 1bru n HIS 91 Ca -0.01 0.37 0.17 0.00 0.46 0.00 0.00 57.72 58.71 1bru n HIS 91 Cb 0.48 -2.48 0.96 0.00 -0.12 0.00 0.00 29.99 28.83 1bru n HIS 91 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 1bru h GLN 92 N 5.61 0.00 -0.10 1.57 -0.00 -1.93 -1.41 115.11 118.85 1bru h GLN 92 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 1bru h GLN 92 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1bru h GLN 92 CO 0.86 0.02 0.00 -0.25 -0.00 0.00 0.00 178.83 179.45 1bru n ASP 93 N -3.63 1.41 -4.70 0.06 8.00 -1.26 -4.89 116.55 111.53 1bru n ASP 93 Ca -0.03 -1.58 -0.42 0.00 0.71 0.00 0.00 54.79 53.47 1bru n ASP 93 Cb 0.10 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1bru n ASP 93 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1bru s TRP 94 N -1.88 3.10 -0.21 1.24 -0.11 -0.54 -4.87 118.94 115.67 1bru s TRP 94 Ca 0.35 0.91 0.00 0.00 1.22 0.00 0.00 56.10 58.58 1bru s TRP 94 Cb 0.18 -3.66 0.02 0.00 -1.50 0.00 0.00 33.47 28.52 1bru s TRP 94 CO 0.29 -2.36 -0.15 1.21 -4.62 0.00 0.00 176.95 171.32 1bru s ASN 95 N 1.42 3.65 0.55 5.86 3.84 -1.26 -5.01 114.94 123.99 1bru s ASN 95 Ca 0.64 -0.77 0.31 0.00 0.21 0.00 0.00 52.86 53.25 1bru s ASN 95 Cb -0.34 -1.55 1.58 0.00 -0.55 0.00 0.00 41.25 40.39 1bru s ASN 95 CO 0.29 -0.05 2.11 0.77 -2.79 0.00 0.00 177.10 177.42 1bru h SER 96 N 7.95 0.00 0.45 -4.21 4.64 -1.97 -1.69 113.55 118.72 1bru h SER 96 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1bru h SER 96 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1bru h SER 96 CO 0.60 0.08 -0.18 0.59 -0.87 0.00 0.00 176.83 177.05 1bru n ASN 97 N -3.49 0.49 -3.24 4.97 5.03 -1.26 -4.03 115.26 113.72 1bru n ASN 97 Ca -0.02 -0.42 -0.25 0.00 0.87 0.00 0.00 54.58 54.77 1bru n ASN 97 Cb 0.22 -0.05 -0.06 0.00 -1.02 0.00 0.00 39.78 38.87 1bru n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bru n GLN 98 N -1.07 1.75 -0.36 3.52 1.13 -0.64 -4.96 117.38 116.76 1bru n GLN 98 Ca 0.12 -4.00 0.07 0.00 -1.94 0.00 0.00 57.00 51.25 1bru n GLN 98 Cb 0.30 -1.80 0.25 0.00 0.11 0.00 0.00 30.24 29.10 1bru n GLN 98 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1bru h LEU 99 N 3.81 0.92 0.00 1.08 5.85 -1.70 -1.94 115.31 123.33 1bru h LEU 99 Ca 0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1bru h LEU 99 Cb 0.76 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1bru h LEU 99 CO 0.65 0.49 0.00 -1.54 -0.34 0.00 0.00 178.44 177.70 1bru n SER 99 N -4.61 0.00 0.02 1.25 3.41 -1.26 -1.85 113.62 110.57 1bru n SER 99 Ca 0.19 0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.99 1bru n SER 99 Cb 0.36 -0.19 0.45 0.00 -0.26 0.00 0.00 64.21 64.57 1bru n SER 99 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bru n ASN 99 N -1.19 0.30 0.00 4.04 5.03 -0.73 -4.67 115.26 118.03 1bru n ASN 99 Ca 0.04 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.76 1bru n ASN 99 Cb 0.04 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 1bru n ASN 99 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bru n GLY 100 N 1.46 0.01 2.41 7.41 0.00 -0.77 -4.94 105.19 110.77 1bru n GLY 100 Ca 0.06 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 1bru n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bru n ASN 101 N 0.99 -3.83 -4.54 1.61 4.13 -1.26 -4.67 115.26 107.69 1bru n ASN 101 Ca 0.00 0.20 -0.43 0.00 1.68 0.00 0.00 54.58 56.03 1bru n ASN 101 Cb 0.00 -3.28 -0.00 0.00 -1.54 0.00 0.00 39.78 34.96 1bru n ASN 101 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bru s ASP 102 N -2.03 6.86 -0.16 6.41 2.15 -1.26 -4.24 116.67 124.40 1bru s ASP 102 Ca 0.00 -2.49 -0.18 0.00 0.43 0.00 0.00 52.55 50.31 1bru s ASP 102 Cb 0.00 -2.52 0.05 0.00 -0.30 0.00 0.00 42.92 40.15 1bru s ASP 102 CO 0.00 -1.08 0.48 -0.51 -0.17 0.00 0.00 175.17 173.90 1bru s ILE 103 N 3.47 0.01 -0.05 4.11 2.07 -1.26 -4.03 121.20 125.52 1bru s ILE 103 Ca 0.49 -0.05 -0.13 0.00 -1.41 0.00 0.00 60.65 59.54 1bru s ILE 103 Cb 0.01 -0.70 0.03 0.00 0.13 0.00 0.00 42.46 41.93 1bru s ILE 103 CO 0.03 -0.03 0.31 0.00 -1.91 0.00 0.00 174.94 173.34 1bru s ALA 104 N -0.01 -0.78 -0.10 1.50 0.00 -0.56 -0.99 121.76 120.82 1bru s ALA 104 Ca -0.02 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.47 1bru s ALA 104 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1bru s ALA 104 CO 0.02 -0.22 -0.17 -0.51 0.00 0.00 0.00 175.76 174.87 1bru s LEU 105 N -0.84 2.49 -0.15 0.00 1.43 -0.01 -1.22 118.68 120.38 1bru s LEU 105 Ca -0.09 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1bru s LEU 105 Cb -0.04 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1bru s LEU 105 CO 0.03 0.21 -0.12 -0.76 0.23 0.00 0.00 176.35 175.94 1bru s LEU 106 N 0.06 2.73 -0.13 1.79 1.43 0.12 -0.50 118.68 124.18 1bru s LEU 106 Ca -0.07 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.43 1bru s LEU 106 Cb -0.15 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1bru s LEU 106 CO 0.05 0.12 0.78 -0.75 0.23 0.00 0.00 176.35 176.79 1bru s LYS 107 N 0.60 4.35 0.39 1.70 2.20 0.39 -0.52 119.74 128.85 1bru s LYS 107 Ca -0.07 0.97 -0.24 0.00 -0.36 0.00 0.00 55.97 56.27 1bru s LYS 107 Cb -0.15 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 1bru s LYS 107 CO 0.03 -0.18 1.01 -0.51 -0.36 0.00 0.00 175.35 175.34 1bru s LEU 108 N 1.62 4.15 0.34 5.43 1.43 0.28 0.52 118.68 132.46 1bru s LEU 108 Ca 0.38 1.93 0.07 0.00 -1.03 0.00 0.00 54.13 55.48 1bru s LEU 108 Cb -0.17 -4.20 0.74 0.00 0.03 0.00 0.00 46.19 42.59 1bru s LEU 108 CO 0.15 -0.37 1.88 0.00 0.23 0.00 0.00 176.35 178.24 1bru h ALA 109 N 2.56 1.74 -2.71 4.21 0.00 -0.50 -3.42 119.26 121.13 1bru h ALA 109 Ca -0.48 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1bru h ALA 109 Cb 1.20 -0.16 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 1bru h ALA 109 CO 0.63 0.05 -0.51 -1.54 0.00 0.00 0.00 179.25 177.87 1bru s SER 110 N -5.86 0.09 0.43 0.00 1.04 -1.26 -5.04 113.70 103.10 1bru s SER 110 Ca -0.10 -0.34 -0.26 0.00 0.48 0.00 0.00 55.95 55.73 1bru s SER 110 Cb 0.21 0.21 -0.09 0.00 0.10 0.00 0.00 66.02 66.45 1bru s SER 110 CO 0.79 -0.42 1.38 -2.16 0.98 0.00 0.00 173.24 173.81 1bru s PRO 111 N -1.82 3.83 0.28 4.02 0.04 -1.26 -4.89 135.00 135.20 1bru s PRO 111 Ca -0.11 2.32 -0.17 0.00 0.04 0.00 0.00 61.00 63.07 1bru s PRO 111 Cb -0.06 -2.72 -0.09 0.00 0.04 0.00 0.00 34.50 31.68 1bru s PRO 111 CO -0.01 -0.67 0.73 0.14 0.04 0.00 0.00 177.00 177.24 1bru s VAL 112 N -1.22 4.62 0.17 -0.36 -7.23 -0.54 -5.01 120.40 110.83 1bru s VAL 112 Ca 0.59 1.11 -0.25 0.00 -1.81 0.00 0.00 61.98 61.62 1bru s VAL 112 Cb -0.42 -3.72 -0.08 0.00 0.56 0.00 0.00 36.38 32.72 1bru s VAL 112 CO 0.54 -0.01 0.77 -0.55 -0.31 0.00 0.00 175.10 175.54 1bru s SER 113 N -1.99 7.36 0.36 4.85 0.15 -1.26 -4.84 113.70 118.33 1bru s SER 113 Ca 0.49 1.62 -0.25 0.00 0.70 0.00 0.00 55.95 58.52 1bru s SER 113 Cb -0.13 -2.49 -0.10 0.00 -1.71 0.00 0.00 66.02 61.59 1bru s SER 113 CO 0.19 0.19 0.99 -0.76 1.20 0.00 0.00 173.24 175.05 1bru s LEU 114 N -1.23 4.24 0.00 3.45 1.43 -1.26 -4.91 118.68 120.39 1bru s LEU 114 Ca 0.36 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.40 1bru s LEU 114 Cb -0.22 -4.11 -0.01 0.00 0.03 0.00 0.00 46.19 41.88 1bru s LEU 114 CO 0.26 -0.25 0.08 0.35 0.23 0.00 0.00 176.35 177.02 1bru n THR 115 N 0.24 0.00 0.20 5.49 -2.24 -0.16 -4.99 114.28 112.82 1bru n THR 115 Ca 0.03 -0.76 0.04 0.00 -2.27 0.00 0.00 64.05 61.10 1bru n THR 115 Cb 0.50 0.37 0.41 0.00 -2.10 0.00 0.00 70.33 69.51 1bru n THR 115 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1bru h ASP 116 N 0.63 0.00 0.82 3.42 2.03 -1.99 -3.25 116.42 118.08 1bru h ASP 116 Ca -0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 1bru h ASP 116 Cb 0.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 1bru h ASP 116 CO 0.11 0.32 -0.90 0.29 -1.03 0.00 0.00 179.24 178.03 1bru n LYS 117 N -4.07 0.44 -3.94 4.15 5.02 -1.26 -4.78 118.16 113.72 1bru n LYS 117 Ca -0.02 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 1bru n LYS 117 Cb 0.37 -1.73 -0.15 0.00 -0.02 0.00 0.00 35.03 33.50 1bru n LYS 117 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bru s ILE 118 N -3.27 1.65 0.27 -0.18 1.01 -1.23 -4.08 121.20 115.37 1bru s ILE 118 Ca 0.02 -1.51 0.03 0.00 0.00 0.00 0.00 60.65 59.20 1bru s ILE 118 Cb 0.12 -2.00 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 1bru s ILE 118 CO 0.77 -0.27 0.04 -1.10 0.00 0.00 0.00 174.94 174.38 1bru s GLN 119 N 1.30 1.46 0.27 2.79 -0.21 -0.79 -0.99 119.66 123.49 1bru s GLN 119 Ca -0.01 -1.78 -0.23 0.00 0.02 0.00 0.00 55.36 53.36 1bru s GLN 119 Cb -0.19 -0.62 -0.09 0.00 1.00 0.00 0.00 33.01 33.12 1bru s GLN 119 CO -0.09 -0.17 0.84 -0.51 -2.12 0.00 0.00 175.29 173.23 1bru s LEU 120 N -3.37 4.35 -0.02 2.90 1.43 -1.26 -3.60 118.68 119.11 1bru s LEU 120 Ca 0.33 1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 54.94 1bru s LEU 120 Cb 0.07 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1bru s LEU 120 CO 0.12 -0.01 0.37 -0.83 0.23 0.00 0.00 176.35 176.24 1bru s GLY 121 N -1.61 2.43 -0.04 -3.19 0.00 0.55 -4.80 107.32 100.66 1bru s GLY 121 Ca 0.46 -0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.75 1bru s GLY 121 CO 0.23 0.11 0.41 0.00 0.00 0.00 0.00 173.10 173.86 1bru s LEU 123 N -0.55 4.21 0.81 0.00 1.43 -1.26 -0.75 118.68 122.57 1bru s LEU 123 Ca 0.24 0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1bru s LEU 123 Cb -0.16 -3.43 0.08 0.00 0.03 0.00 0.00 46.19 42.71 1bru s LEU 123 CO 0.12 -0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 1bru s PRO 124 N -2.90 1.93 0.74 1.29 0.04 -1.26 -4.92 135.00 129.93 1bru s PRO 124 Ca 0.43 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 1bru s PRO 124 Cb -0.12 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1bru s PRO 124 CO 0.25 -1.84 0.88 0.00 0.04 0.00 0.00 177.00 176.33 1bru n ALA 125 N -3.65 -0.58 -1.61 8.56 0.00 -1.26 -4.85 120.51 117.12 1bru n ALA 125 Ca 0.09 -0.24 -0.48 0.00 0.00 0.00 0.00 53.44 52.81 1bru n ALA 125 Cb 0.54 -2.06 -0.04 0.00 0.00 0.00 0.00 19.45 17.88 1bru n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bru n ALA 126 N -2.63 -0.19 -0.94 0.00 0.00 -1.26 -2.28 120.51 113.21 1bru n ALA 126 Ca 0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1bru n ALA 126 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1bru n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bru n GLY 127 N 2.16 0.78 3.68 0.00 0.00 -0.45 -4.98 105.19 106.37 1bru n GLY 127 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1bru n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bru s THR 128 N -3.27 3.79 -0.17 2.61 2.01 -0.97 -5.00 115.64 114.64 1bru s THR 128 Ca 0.00 1.12 -0.04 0.00 0.31 0.00 0.00 61.69 63.09 1bru s THR 128 Cb 0.00 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1bru s THR 128 CO 0.00 -0.03 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.23 1bru s ILE 129 N 2.74 3.73 0.02 1.82 -1.09 -1.26 -4.76 121.20 122.41 1bru s ILE 129 Ca 0.63 -0.40 -0.22 0.00 -2.23 0.00 0.00 60.65 58.43 1bru s ILE 129 Cb -0.30 -2.65 -0.06 0.00 -1.58 0.00 0.00 42.46 37.87 1bru s ILE 129 CO 0.25 0.47 0.67 -0.76 -1.23 0.00 0.00 174.94 174.34 1bru s LEU 130 N 0.69 4.44 0.82 2.97 1.43 -1.26 -5.04 118.68 122.72 1bru s LEU 130 Ca -0.02 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 54.26 1bru s LEU 130 Cb -0.14 -3.05 0.08 0.00 0.03 0.00 0.00 46.19 43.10 1bru s LEU 130 CO 0.02 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 1bru s PRO 131 N -0.20 1.90 0.34 1.29 0.04 -1.26 -4.81 135.00 132.30 1bru s PRO 131 Ca 0.34 1.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.15 1bru s PRO 131 Cb -0.19 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 1bru s PRO 131 CO 0.20 -1.86 1.22 -1.71 0.04 0.00 0.00 177.00 174.89 1bru n ASN 132 N -3.65 2.39 -0.54 6.66 5.15 -1.26 -1.80 115.26 122.21 1bru n ASN 132 Ca 0.08 1.19 -0.07 0.00 -0.60 0.00 0.00 54.58 55.18 1bru n ASN 132 Cb 0.54 -1.44 -0.03 0.00 -0.53 0.00 0.00 39.78 38.32 1bru n ASN 132 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1bru n ASN 133 N 0.80 -5.25 -4.75 1.20 3.02 0.17 -4.93 115.26 105.52 1bru n ASN 133 Ca 0.06 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 1bru n ASN 133 Cb 0.36 -3.37 -0.01 0.00 -0.61 0.00 0.00 39.78 36.15 1bru n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bru n TYR 134 N -2.33 2.78 -2.82 3.10 9.36 -0.74 -4.58 117.16 121.93 1bru n TYR 134 Ca -0.07 0.42 -0.42 0.00 3.32 0.00 0.00 57.90 61.15 1bru n TYR 134 Cb 0.47 -2.52 -0.03 0.00 -0.63 0.00 0.00 39.34 36.62 1bru n TYR 134 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1bru s VAL 135 N -0.81 4.84 0.31 2.97 1.01 -1.26 -0.36 120.40 127.10 1bru s VAL 135 Ca 0.57 1.77 0.03 0.00 0.00 0.00 0.00 61.98 64.35 1bru s VAL 135 Cb -0.51 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1bru s VAL 135 CO 0.59 0.01 0.11 0.00 0.00 0.00 0.00 175.10 175.82 1bru s TYR 137 N -3.54 0.97 0.02 0.00 1.51 0.65 -1.21 117.35 115.75 1bru s TYR 137 Ca 0.35 -0.33 -0.16 0.00 -1.01 0.00 0.00 57.07 55.91 1bru s TYR 137 Cb 0.06 -0.84 -0.06 0.00 -0.11 0.00 0.00 41.96 41.02 1bru s TYR 137 CO 0.15 -0.27 0.46 0.54 -1.11 0.00 0.00 175.55 175.32 1bru s VAL 138 N 1.12 4.94 0.06 0.71 0.11 0.55 -0.67 120.40 127.22 1bru s VAL 138 Ca -0.07 0.96 0.08 0.00 -2.93 0.00 0.00 61.98 60.02 1bru s VAL 138 Cb -0.14 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 30.91 1bru s VAL 138 CO -0.01 0.57 -0.23 0.42 -3.33 0.00 0.00 175.10 172.52 1bru s THR 139 N -1.05 1.85 0.00 5.04 -4.23 -1.18 -1.09 115.64 114.97 1bru s THR 139 Ca 0.25 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1bru s THR 139 Cb -0.18 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1bru s THR 139 CO 0.15 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1bru n GLY 140 N 1.58 -0.96 1.77 3.99 0.00 -0.77 -4.45 105.19 106.35 1bru n GLY 140 Ca -0.18 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 1bru n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bru n TRP 141 N -0.24 2.14 -1.20 1.61 8.01 -1.26 -2.34 117.44 124.16 1bru n TRP 141 Ca 0.00 -1.24 -0.30 0.00 -1.31 0.00 0.00 57.50 54.65 1bru n TRP 141 Cb 0.00 -0.63 0.22 0.00 -2.01 0.00 0.00 31.31 28.89 1bru n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1bru s GLY 142 N -1.35 1.60 0.28 6.99 0.00 -1.24 -4.40 107.32 109.20 1bru s GLY 142 Ca 0.52 -0.90 -0.28 0.00 0.00 0.00 0.00 44.72 44.06 1bru s GLY 142 CO 0.11 -0.07 0.95 0.54 0.00 0.00 0.00 173.10 174.64 1bru n ARG 143 N -4.56 1.20 0.13 2.90 1.74 -0.71 -2.33 116.66 115.03 1bru n ARG 143 Ca 0.12 0.42 0.12 0.00 -0.77 0.00 0.00 57.85 57.74 1bru n ARG 143 Cb 0.59 -1.75 0.15 0.00 -1.02 0.00 0.00 32.46 30.44 1bru n ARG 143 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1bru h LEU 144 N 1.88 0.00 -8.07 0.55 3.38 0.00 0.30 115.31 113.35 1bru h LEU 144 Ca -0.38 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1bru h LEU 144 Cb 1.35 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.99 1bru h LEU 144 CO 0.60 0.03 -0.19 0.00 0.09 0.00 0.00 178.44 178.96 1bru s GLN 145 N -3.23 1.33 0.10 1.13 0.00 -1.26 -4.16 119.66 113.58 1bru s GLN 145 Ca 0.05 -1.15 -0.34 0.00 -0.00 0.00 0.00 55.36 53.92 1bru s GLN 145 Cb 0.10 0.43 -0.14 0.00 0.00 0.00 0.00 33.01 33.40 1bru s GLN 145 CO 0.71 -0.53 1.63 2.41 0.00 0.00 0.00 175.29 179.51 1bru n THR 146 N -0.30 0.12 -0.71 3.63 -1.04 -1.26 -0.82 114.28 113.90 1bru n THR 146 Ca -0.06 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1bru n THR 146 Cb 0.63 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 1bru n THR 146 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1bru n ASN 147 N 4.03 -3.64 -0.22 8.00 5.03 -1.26 -4.93 115.26 122.27 1bru n ASN 147 Ca 0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1bru n ASN 147 Cb 0.28 -2.70 0.00 0.00 -1.02 0.00 0.00 39.78 36.34 1bru n ASN 147 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bru n GLY 148 N 0.25 1.77 3.77 7.41 0.00 -0.00 -5.09 105.19 113.30 1bru n GLY 148 Ca 0.00 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 1bru n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bru s ALA 150 N -2.58 3.24 -0.12 4.61 0.00 -1.26 -4.67 121.76 120.99 1bru s ALA 150 Ca 0.00 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 1bru s ALA 150 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1bru s ALA 150 CO 0.00 -0.92 0.27 -1.12 0.00 0.00 0.00 175.76 173.99 1bru s SER 151 N -0.69 6.49 0.89 0.00 0.01 -1.26 0.59 113.70 119.73 1bru s SER 151 Ca 0.58 0.58 -0.12 0.00 1.31 0.00 0.00 55.95 58.30 1bru s SER 151 Cb -0.39 -2.16 0.12 0.00 0.21 0.00 0.00 66.02 63.79 1bru s SER 151 CO 0.50 0.22 1.11 -2.16 0.41 0.00 0.00 173.24 173.33 1bru s PRO 152 N -0.21 1.36 -0.03 12.44 0.04 -1.26 -4.97 135.00 142.36 1bru s PRO 152 Ca 0.17 0.52 0.04 0.00 0.04 0.00 0.00 61.00 61.77 1bru s PRO 152 Cb -0.13 -1.84 -0.25 0.00 0.04 0.00 0.00 34.50 32.31 1bru s PRO 152 CO 0.05 -2.10 0.73 0.22 0.04 0.00 0.00 177.00 175.95 1bru h ASP 153 N -1.43 0.20 -3.21 6.66 3.58 -1.94 -3.47 116.42 116.80 1bru h ASP 153 Ca -0.50 -0.35 -0.58 0.00 0.42 0.00 0.00 57.03 56.02 1bru h ASP 153 Cb 1.30 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 42.23 1bru h ASP 153 CO 0.59 1.30 -0.12 -0.63 -2.88 0.00 0.00 179.24 177.50 1bru s ILE 154 N -2.61 5.01 -0.41 2.25 -1.09 -1.26 -0.51 121.20 122.57 1bru s ILE 154 Ca -0.09 1.02 -0.46 0.00 -2.23 0.00 0.00 60.65 58.90 1bru s ILE 154 Cb 0.08 -3.82 -0.20 0.00 -1.58 0.00 0.00 42.46 36.94 1bru s ILE 154 CO 0.82 0.46 1.52 -0.11 -1.23 0.00 0.00 174.94 176.40 1bru n LEU 155 N 2.57 1.05 -4.94 2.97 7.94 -0.68 -4.86 117.00 121.05 1bru n LEU 155 Ca -0.10 1.18 -0.25 0.00 -1.11 0.00 0.00 56.01 55.73 1bru n LEU 155 Cb 0.52 -0.90 -0.03 0.00 0.53 0.00 0.00 43.42 43.54 1bru n LEU 155 CO 0.41 -1.00 -0.09 -1.10 -1.11 0.00 0.00 177.39 174.49 1bru s GLN 156 N 2.52 3.41 0.14 1.96 -1.52 -0.99 0.11 119.66 125.29 1bru s GLN 156 Ca 1.02 -0.64 0.06 0.00 -1.95 0.00 0.00 55.36 53.85 1bru s GLN 156 Cb -1.45 -2.93 -0.04 0.00 -0.22 0.00 0.00 33.01 28.37 1bru s GLN 156 CO 0.77 0.50 -0.13 1.14 -0.25 0.00 0.00 175.29 177.33 1bru s GLN 157 N -3.34 1.07 -0.12 2.91 -2.07 0.87 -1.85 119.66 117.12 1bru s GLN 157 Ca 0.34 -1.36 -0.11 0.00 -1.82 0.00 0.00 55.36 52.41 1bru s GLN 157 Cb -0.11 -0.82 0.03 0.00 -1.09 0.00 0.00 33.01 31.03 1bru s GLN 157 CO 0.28 0.14 0.33 0.20 -1.32 0.00 0.00 175.29 174.92 1bru s GLY 158 N -2.83 -0.25 0.06 2.60 0.00 -0.25 -0.42 107.32 106.23 1bru s GLY 158 Ca 0.13 0.95 -0.26 0.00 0.00 0.00 0.00 44.72 45.54 1bru s GLY 158 CO 0.03 0.83 0.82 1.62 0.00 0.00 0.00 173.10 176.40 1bru s GLN 159 N 0.21 4.55 -0.03 2.90 0.74 -1.26 -0.33 119.66 126.44 1bru s GLN 159 Ca -0.00 1.17 -0.01 0.00 0.05 0.00 0.00 55.36 56.57 1bru s GLN 159 Cb -0.03 -3.37 0.03 0.00 1.10 0.00 0.00 33.01 30.74 1bru s GLN 159 CO 0.00 0.25 0.06 -0.51 -0.55 0.00 0.00 175.29 174.54 1bru s LEU 160 N 0.01 0.79 -0.08 3.68 1.02 -0.35 -4.84 118.68 118.92 1bru s LEU 160 Ca 0.41 0.10 -0.13 0.00 0.02 0.00 0.00 54.13 54.54 1bru s LEU 160 Cb -0.21 0.01 -0.05 0.00 0.02 0.00 0.00 46.19 45.96 1bru s LEU 160 CO 0.25 -0.16 0.32 -0.76 0.02 0.00 0.00 176.35 176.01 1bru s LEU 161 N 1.35 4.38 0.29 1.79 1.43 -1.26 -1.31 118.68 125.34 1bru s LEU 161 Ca -0.06 0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 53.45 1bru s LEU 161 Cb -0.13 -2.41 -0.11 0.00 0.03 0.00 0.00 46.19 43.57 1bru s LEU 161 CO -0.04 0.27 1.62 -0.69 0.23 0.00 0.00 176.35 177.74 1bru s VAL 162 N -0.56 2.03 -0.33 -1.59 1.01 0.51 -0.81 120.40 120.67 1bru s VAL 162 Ca 0.20 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1bru s VAL 162 Cb -0.14 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1bru s VAL 162 CO 0.08 0.00 0.12 -0.69 0.00 0.00 0.00 175.10 174.62 1bru s VAL 163 N 0.13 4.07 0.93 2.92 1.01 0.42 0.42 120.40 130.29 1bru s VAL 163 Ca 0.65 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1bru s VAL 163 Cb -0.48 -3.22 0.15 0.00 0.00 0.00 0.00 36.38 32.83 1bru s VAL 163 CO 0.46 -0.10 1.10 1.51 0.00 0.00 0.00 175.10 178.08 1bru s ASP 164 N 1.48 3.00 0.19 3.32 1.47 -1.26 -4.01 116.67 120.85 1bru s ASP 164 Ca 0.01 1.85 -0.16 0.00 1.18 0.00 0.00 52.55 55.43 1bru s ASP 164 Cb -0.19 -2.43 0.16 0.00 -0.34 0.00 0.00 42.92 40.12 1bru s ASP 164 CO 0.04 -3.00 1.63 0.22 0.68 0.00 0.00 175.17 174.75 1bru h TYR 165 N -1.79 -0.41 -1.00 2.11 3.20 -1.94 -0.74 116.97 116.40 1bru h TYR 165 Ca -0.48 0.05 0.23 0.00 3.14 0.00 0.00 58.73 61.67 1bru h TYR 165 Cb 1.28 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 39.70 1bru h TYR 165 CO 0.46 -0.26 0.62 0.00 -1.64 0.00 0.00 178.16 177.34 1bru h ALA 166 N 1.38 1.93 0.13 1.82 0.00 -1.99 0.08 119.26 122.61 1bru h ALA 166 Ca 0.24 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 1bru h ALA 166 Cb 0.43 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1bru h ALA 166 CO -0.55 -0.33 -0.82 1.15 0.00 0.00 0.00 179.25 178.70 1bru h THR 167 N 0.57 1.49 0.00 0.00 2.02 -1.74 -3.32 112.91 111.93 1bru h THR 167 Ca 0.59 -2.48 -0.08 0.00 0.77 0.00 0.00 66.41 65.21 1bru h THR 167 Cb 1.19 3.11 -0.01 0.00 -1.74 0.00 0.00 68.15 70.70 1bru h THR 167 CO -0.36 0.71 -0.36 0.00 0.37 0.00 0.00 175.52 175.88 1bru n SER 169 N -3.89 0.00 -4.58 0.00 3.41 -0.04 -0.48 113.62 108.04 1bru n SER 169 Ca -0.01 0.47 -0.38 0.00 -0.26 0.00 0.00 58.87 58.69 1bru n SER 169 Cb 0.42 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.93 1bru n SER 169 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bru n LYS 170 N -1.49 0.81 0.17 4.33 5.02 -0.65 -2.98 118.16 123.37 1bru n LYS 170 Ca 0.07 0.31 0.13 0.00 -2.02 0.00 0.00 58.31 56.81 1bru n LYS 170 Cb 0.33 -2.06 0.53 0.00 -0.02 0.00 0.00 35.03 33.81 1bru n LYS 170 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1bru h PRO 170 N 0.43 0.00 0.00 1.97 0.13 -1.89 0.68 132.00 133.33 1bru h PRO 170 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bru h PRO 170 Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1bru h PRO 170 CO 0.50 0.00 -0.01 0.78 -0.23 0.00 0.00 178.00 179.04 1bru h GLY 170 N 2.33 0.00 0.00 1.56 0.00 -1.93 -3.41 103.07 101.62 1bru h GLY 170 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bru h GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.33 1bru n TRP 171 N -3.10 0.00 1.05 5.60 7.02 0.03 -4.85 117.44 123.19 1bru n TRP 171 Ca 0.03 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.62 1bru n TRP 171 Cb 0.44 0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.41 1bru n TRP 171 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1bru n TRP 172 N 0.00 0.00 -0.45 -5.99 7.02 0.37 -4.85 117.44 113.54 1bru n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1bru n TRP 172 Cb 0.00 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 1bru n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1bru n GLY 173 N 1.39 3.45 0.60 6.99 0.00 -0.05 -1.69 105.19 115.88 1bru n GLY 173 Ca 0.11 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1bru n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bru n SER 174 N 4.24 1.78 0.31 1.61 3.41 -1.26 -3.76 113.62 119.93 1bru n SER 174 Ca 0.00 -1.80 0.17 0.00 -0.26 0.00 0.00 58.87 56.98 1bru n SER 174 Cb 0.00 -0.15 0.98 0.00 -0.26 0.00 0.00 64.21 64.78 1bru n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1bru h THR 175 N 2.22 0.39 -3.28 6.66 2.02 -1.69 -3.44 112.91 115.79 1bru h THR 175 Ca 0.00 -0.05 -0.64 0.00 0.77 0.00 0.00 66.41 66.49 1bru h THR 175 Cb 0.49 1.03 -0.17 0.00 -1.74 0.00 0.00 68.15 67.76 1bru h THR 175 CO 0.00 0.01 -0.61 -0.69 0.37 0.00 0.00 175.52 174.60 1bru s VAL 176 N -4.47 4.40 0.48 3.16 1.01 -1.25 -4.74 120.40 118.99 1bru s VAL 176 Ca -0.05 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1bru s VAL 176 Cb 0.14 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1bru s VAL 176 CO 0.52 0.52 0.19 -0.54 0.00 0.00 0.00 175.10 175.78 1bru s LYS 177 N -0.04 2.21 0.00 2.72 -0.14 -1.26 -4.91 119.74 118.33 1bru s LYS 177 Ca 0.04 -2.08 0.31 0.00 -1.36 0.00 0.00 55.97 52.88 1bru s LYS 177 Cb -0.13 -1.87 1.66 0.00 -1.68 0.00 0.00 37.83 35.82 1bru s LYS 177 CO 0.02 -0.35 2.11 0.25 -0.76 0.00 0.00 175.35 176.62 1bru n THR 178 N -1.40 0.00 1.07 2.17 -2.24 -1.26 -2.68 114.28 109.94 1bru n THR 178 Ca -0.07 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.75 1bru n THR 178 Cb 0.65 -0.44 0.14 0.00 -2.10 0.00 0.00 70.33 68.58 1bru n THR 178 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bru n ASN 179 N -1.09 1.56 -4.47 3.42 0.23 -1.26 -4.88 115.26 108.77 1bru n ASN 179 Ca 0.19 -1.99 -0.24 0.00 -0.53 0.00 0.00 54.58 52.01 1bru n ASN 179 Cb 0.19 -0.19 -0.10 0.00 -2.08 0.00 0.00 39.78 37.59 1bru n ASN 179 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1bru s MET 180 N -1.61 1.67 -0.10 -3.83 -1.94 -1.09 -1.41 119.30 110.98 1bru s MET 180 Ca 0.20 -1.79 0.02 0.00 -1.71 0.00 0.00 55.69 52.41 1bru s MET 180 Cb 0.10 -1.66 -0.01 0.00 2.01 0.00 0.00 34.83 35.27 1bru s MET 180 CO 0.14 0.26 -0.16 0.42 -0.01 0.00 0.00 175.02 175.67 1bru s ILE 181 N -2.60 2.78 -0.13 2.53 1.01 0.16 -4.69 121.20 120.26 1bru s ILE 181 Ca 0.30 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 1bru s ILE 181 Cb -0.03 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1bru s ILE 181 CO 0.14 0.55 0.30 0.00 0.00 0.00 0.00 174.94 175.93 1bru s ALA 183 N 0.04 -0.19 0.00 0.00 0.00 -0.43 -0.44 121.76 120.74 1bru s ALA 183 Ca 0.18 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1bru s ALA 183 Cb -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1bru s ALA 183 CO 0.06 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1bru n GLY 184 N 2.97 0.96 0.77 0.00 0.00 0.01 -2.31 105.19 107.59 1bru n GLY 184 Ca -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1bru n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bru n GLY 185 N 0.00 0.64 0.04 -0.02 0.00 -1.26 -4.72 105.19 99.86 1bru n GLY 185 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1bru n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bru n ASP 186 N 0.00 0.53 -0.55 1.61 5.68 -1.26 0.13 116.55 122.69 1bru n ASP 186 Ca 0.00 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 1bru n ASP 186 Cb 0.00 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 1bru n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bru n GLY 187 N 1.41 0.83 3.55 6.12 0.00 -1.26 -4.47 105.19 111.37 1bru n GLY 187 Ca 0.05 -0.54 -0.47 0.00 0.00 0.00 0.00 46.02 45.06 1bru n GLY 187 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bru n ILE 188 N -1.82 1.63 -3.82 -0.61 5.41 -1.26 -4.48 119.36 114.40 1bru n ILE 188 Ca 0.00 -0.41 -0.09 0.00 1.00 0.00 0.00 62.75 63.25 1bru n ILE 188 Cb 0.43 -0.78 -0.04 0.00 -0.71 0.00 0.00 39.64 38.54 1bru n ILE 188 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1bru s SER 189 N -0.45 -0.18 0.95 4.38 1.04 -0.96 -4.39 113.70 114.08 1bru s SER 189 Ca 0.64 -0.62 -0.13 0.00 0.48 0.00 0.00 55.95 56.32 1bru s SER 189 Cb -0.79 0.57 0.16 0.00 0.10 0.00 0.00 66.02 66.05 1bru s SER 189 CO 0.57 -1.06 1.14 -0.94 0.98 0.00 0.00 173.24 173.93 1bru s SER 190 N -2.91 3.16 0.22 7.02 1.04 -1.26 -1.30 113.70 119.66 1bru s SER 190 Ca 0.13 0.94 -0.19 0.00 0.48 0.00 0.00 55.95 57.30 1bru s SER 190 Cb -0.01 -1.48 0.03 0.00 0.10 0.00 0.00 66.02 64.67 1bru s SER 190 CO 0.00 -2.77 0.60 0.00 0.98 0.00 0.00 173.24 172.05 1bru n ASN 192 N -0.39 1.56 0.00 0.00 4.13 -1.26 -0.06 115.26 119.24 1bru n ASN 192 Ca -0.09 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.30 1bru n ASN 192 Cb 0.62 -1.04 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 1bru n ASN 192 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bru n GLY 193 N 3.43 2.71 0.01 7.41 0.00 -1.26 -1.73 105.19 115.75 1bru n GLY 193 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 1bru n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bru n ASP 194 N 0.00 0.24 -4.62 1.61 8.00 0.92 -3.70 116.55 118.99 1bru n ASP 194 Ca 0.00 0.23 -0.45 0.00 0.71 0.00 0.00 54.79 55.28 1bru n ASP 194 Cb 0.00 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 1bru n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bru n SER 195 N -1.56 1.77 0.00 -2.24 7.64 -1.26 -1.04 113.62 116.94 1bru n SER 195 Ca 0.06 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1bru n SER 195 Cb 0.35 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1bru n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bru n GLY 196 N 1.31 3.01 3.97 0.23 0.00 0.11 -0.28 105.19 113.55 1bru n GLY 196 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1bru n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bru s GLY 197 N -1.40 1.76 0.18 -0.02 0.00 -0.20 -3.31 107.32 104.33 1bru s GLY 197 Ca 0.00 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 1bru s GLY 197 CO 0.00 -0.94 1.08 2.56 0.00 0.00 0.00 173.10 175.80 1bru s PRO 198 N -5.35 4.62 -0.49 2.90 0.04 -1.26 -0.15 135.00 135.31 1bru s PRO 198 Ca 0.68 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 63.18 1bru s PRO 198 Cb -0.05 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.24 1bru s PRO 198 CO 0.47 0.12 0.85 -1.17 0.04 0.00 0.00 177.00 177.30 1bru s LEU 199 N -0.46 4.21 -0.21 -3.56 2.96 0.77 -3.11 118.68 119.29 1bru s LEU 199 Ca 0.48 -0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 54.07 1bru s LEU 199 Cb -0.29 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.43 1bru s LEU 199 CO 0.35 -1.04 0.22 0.20 -1.32 0.00 0.00 176.35 174.77 1bru s ASN 200 N 2.42 6.25 -0.03 3.68 0.01 0.15 -1.40 114.94 126.02 1bru s ASN 200 Ca 0.30 0.28 0.02 0.00 -0.71 0.00 0.00 52.86 52.75 1bru s ASN 200 Cb -0.12 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.40 1bru s ASN 200 CO 0.21 0.06 -0.09 0.00 -1.51 0.00 0.00 177.10 175.78 1bru s GLN 202 N 0.25 4.17 1.10 0.00 0.74 -1.26 -0.25 119.66 124.41 1bru s GLN 202 Ca -0.04 0.96 -0.12 0.00 0.05 0.00 0.00 55.36 56.21 1bru s GLN 202 Cb -0.09 -3.65 0.25 0.00 1.10 0.00 0.00 33.01 30.62 1bru s GLN 202 CO 0.00 -0.54 1.06 0.20 -0.55 0.00 0.00 175.29 175.46 1bru s GLY 202 N 1.35 1.59 0.66 2.59 0.00 0.86 -4.89 107.32 109.47 1bru s GLY 202 Ca 0.36 0.10 0.19 0.00 0.00 0.00 0.00 44.72 45.37 1bru s GLY 202 CO 0.08 0.73 1.59 0.00 0.00 0.00 0.00 173.10 175.50 1bru h ALA 203 N -2.44 1.64 -0.45 3.20 0.00 -1.95 -2.60 119.26 116.66 1bru h ALA 203 Ca -0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1bru h ALA 203 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1bru h ALA 203 CO 0.47 -0.61 0.00 0.27 0.00 0.00 0.00 179.25 179.38 1bru n ASN 204 N -2.79 4.61 0.00 0.00 0.23 -1.26 -4.96 115.26 111.09 1bru n ASN 204 Ca -0.00 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.25 1bru n ASN 204 Cb 0.63 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1bru n ASN 204 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bru n GLY 205 N 0.27 3.27 3.75 4.83 0.00 -0.98 -5.05 105.19 111.28 1bru n GLY 205 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1bru n GLY 205 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bru s GLN 206 N -0.59 4.61 0.05 1.61 -2.07 -1.26 -4.72 119.66 117.30 1bru s GLN 206 Ca 0.00 1.24 -0.31 0.00 -1.82 0.00 0.00 55.36 54.47 1bru s GLN 206 Cb 0.00 -3.32 -0.06 0.00 -1.09 0.00 0.00 33.01 28.54 1bru s GLN 206 CO 0.00 0.39 1.30 -1.58 -1.32 0.00 0.00 175.29 174.09 1bru s TRP 207 N -0.55 3.21 0.08 9.60 0.52 -1.26 -0.10 118.94 130.44 1bru s TRP 207 Ca 0.40 1.07 0.07 0.00 0.02 0.00 0.00 56.10 57.66 1bru s TRP 207 Cb -0.23 -3.56 -0.03 0.00 -1.15 0.00 0.00 33.47 28.51 1bru s TRP 207 CO 0.27 -1.89 -0.20 -0.65 0.02 0.00 0.00 176.95 174.50 1bru s GLN 208 N 1.51 1.15 -0.57 4.98 -0.21 0.66 -4.32 119.66 122.86 1bru s GLN 208 Ca 0.61 -1.05 -0.23 0.00 0.02 0.00 0.00 55.36 54.72 1bru s GLN 208 Cb -0.32 -1.33 0.05 0.00 1.00 0.00 0.00 33.01 32.42 1bru s GLN 208 CO 0.28 0.32 0.88 0.08 -2.12 0.00 0.00 175.29 174.73 1bru s VAL 209 N -1.04 4.48 -0.13 1.09 1.01 0.07 -0.44 120.40 125.43 1bru s VAL 209 Ca 0.05 -0.05 0.18 0.00 0.00 0.00 0.00 61.98 62.17 1bru s VAL 209 Cb -0.09 -4.53 -0.16 0.00 0.00 0.00 0.00 36.38 31.60 1bru s VAL 209 CO 0.03 -1.14 0.72 1.41 0.00 0.00 0.00 175.10 176.12 1bru n HIS 210 N 7.25 0.74 -4.11 5.22 8.25 -0.49 -4.34 115.22 127.75 1bru n HIS 210 Ca -0.01 0.24 -0.08 0.00 -0.26 0.00 0.00 57.72 57.61 1bru n HIS 210 Cb 0.46 -0.99 -0.10 0.00 1.12 0.00 0.00 29.99 30.49 1bru n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1bru s GLY 211 N -4.78 0.54 -0.13 -1.41 0.00 -1.21 -0.84 107.32 99.48 1bru s GLY 211 Ca -0.04 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.48 1bru s GLY 211 CO 0.82 -1.31 -0.15 -0.42 0.00 0.00 0.00 173.10 172.04 1bru s ILE 212 N -3.66 2.81 0.04 0.90 1.01 -0.60 -0.16 121.20 121.55 1bru s ILE 212 Ca 0.07 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 1bru s ILE 212 Cb 0.06 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.27 1bru s ILE 212 CO -0.08 0.53 1.86 -0.69 0.00 0.00 0.00 174.94 176.56 1bru s VAL 213 N 0.47 3.04 0.03 2.92 1.01 0.79 -0.49 120.40 128.16 1bru s VAL 213 Ca -0.11 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1bru s VAL 213 Cb -0.16 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 1bru s VAL 213 CO 0.05 -0.01 -0.02 -0.24 0.00 0.00 0.00 175.10 174.88 1bru n SER 214 N 7.00 0.51 -3.93 3.32 2.88 -0.51 0.09 113.62 122.98 1bru n SER 214 Ca 0.19 0.07 -0.09 0.00 -1.33 0.00 0.00 58.87 57.70 1bru n SER 214 Cb 0.41 -0.20 -0.09 0.00 -0.75 0.00 0.00 64.21 63.58 1bru n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1bru s PHE 215 N -1.46 0.20 0.00 0.66 -0.12 -0.88 -4.92 117.98 111.46 1bru s PHE 215 Ca -0.01 -0.51 0.00 0.00 -0.05 0.00 0.00 56.93 56.35 1bru s PHE 215 Cb 0.00 -0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.25 1bru s PHE 215 CO 0.02 -0.37 0.00 0.41 -0.05 0.00 0.00 175.22 175.24 1bru n GLY 216 N 0.76 1.56 0.00 1.99 0.00 -1.26 -0.50 105.19 107.75 1bru n GLY 216 Ca -0.19 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 45.79 1bru n GLY 216 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bru n SER 217 N 0.00 1.85 0.08 1.61 3.41 -1.26 -5.01 113.62 114.29 1bru n SER 217 Ca 0.00 -0.29 0.09 0.00 -0.26 0.00 0.00 58.87 58.41 1bru n SER 217 Cb 0.00 1.26 0.40 0.00 -0.26 0.00 0.00 64.21 65.61 1bru n SER 217 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bru n LEU 218 N -1.59 0.37 0.00 1.04 7.99 -1.26 -4.97 117.00 118.58 1bru n LEU 218 Ca -0.00 0.60 0.00 0.00 -0.01 0.00 0.00 56.01 56.60 1bru n LEU 218 Cb 0.21 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 42.95 1bru n LEU 218 CO 0.20 -0.48 0.00 0.61 -1.51 0.00 0.00 177.39 176.21 1bru n GLY 219 N -0.24 4.60 0.18 -0.72 0.00 -1.26 -4.95 105.19 102.81 1bru n GLY 219 Ca 0.02 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 1bru n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bru s ASN 220 N -5.62 5.45 -0.20 0.00 2.20 -1.26 -4.74 114.94 110.76 1bru s ASN 220 Ca -0.13 -0.71 -0.09 0.00 -0.94 0.00 0.00 52.86 50.98 1bru s ASN 220 Cb 0.11 -1.96 0.08 0.00 -2.00 0.00 0.00 41.25 37.47 1bru s ASN 220 CO 0.73 -0.24 0.47 -0.47 -2.94 0.00 0.00 177.10 174.65 1bru s TYR 221 N 1.56 -0.79 0.24 1.54 5.04 -1.26 -4.83 117.35 118.84 1bru s TYR 221 Ca 0.03 1.56 -0.31 0.00 -2.44 0.00 0.00 57.07 55.91 1bru s TYR 221 Cb -0.18 0.37 -0.12 0.00 0.35 0.00 0.00 41.96 42.39 1bru s TYR 221 CO 0.05 -0.44 1.67 -0.47 -1.34 0.00 0.00 175.55 175.02 1bru s TYR 222 N 1.98 2.85 -0.72 4.97 5.04 -1.26 0.03 117.35 130.25 1bru s TYR 222 Ca -0.07 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1bru s TYR 222 Cb -0.10 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.10 1bru s TYR 222 CO -0.14 -4.04 0.00 0.72 -1.34 0.00 0.00 175.55 170.74 1bru n HIS 223 N 3.32 0.00 -3.76 4.97 8.25 0.12 -4.92 115.22 123.21 1bru n HIS 223 Ca 0.13 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.26 1bru n HIS 223 Cb 0.36 -2.39 -0.09 0.00 1.12 0.00 0.00 29.99 28.99 1bru n HIS 223 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1bru s LYS 224 N -2.50 2.88 0.47 -0.41 -0.14 0.10 -4.35 119.74 115.79 1bru s LYS 224 Ca 0.00 -3.27 -0.25 0.00 -1.36 0.00 0.00 55.97 51.10 1bru s LYS 224 Cb 0.00 -3.71 -0.08 0.00 -1.68 0.00 0.00 37.83 32.36 1bru s LYS 224 CO 0.00 -1.27 1.40 -2.30 -0.76 0.00 0.00 175.35 172.43 1bru n PRO 225 N 2.24 2.12 -1.67 -1.68 -0.02 -1.26 -4.44 135.00 130.29 1bru n PRO 225 Ca 0.20 0.76 -0.45 0.00 -2.02 0.00 0.00 63.50 61.98 1bru n PRO 225 Cb 0.36 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 1bru n PRO 225 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1bru n SER 226 N -0.30 3.02 -4.67 2.55 7.64 -0.98 -4.77 113.62 116.11 1bru n SER 226 Ca 0.06 1.10 -0.35 0.00 1.01 0.00 0.00 58.87 60.70 1bru n SER 226 Cb 0.42 -1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.09 1bru n SER 226 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bru s VAL 227 N 0.57 4.24 -0.01 0.44 1.01 0.35 -1.32 120.40 125.68 1bru s VAL 227 Ca 0.75 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.50 1bru s VAL 227 Cb -0.66 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1bru s VAL 227 CO 0.42 0.60 -0.20 -0.36 0.00 0.00 0.00 175.10 175.56 1bru s PHE 228 N -0.88 1.77 0.22 5.22 0.40 0.53 -1.43 117.98 123.81 1bru s PHE 228 Ca 0.13 -0.34 -0.31 0.00 -0.60 0.00 0.00 56.93 55.81 1bru s PHE 228 Cb -0.11 -1.13 -0.11 0.00 0.51 0.00 0.00 43.02 42.18 1bru s PHE 228 CO 0.02 -0.01 1.63 0.99 0.70 0.00 0.00 175.22 178.55 1bru s THR 229 N -0.51 2.24 -0.62 0.64 2.01 0.36 0.39 115.64 120.15 1bru s THR 229 Ca 0.08 0.18 -0.25 0.00 0.31 0.00 0.00 61.69 62.00 1bru s THR 229 Cb -0.08 -3.12 0.04 0.00 0.01 0.00 0.00 72.50 69.36 1bru s THR 229 CO -0.00 0.02 1.07 -0.60 -0.69 0.00 0.00 174.62 174.42 1bru s ARG 230 N 0.65 3.29 0.43 4.92 3.52 -0.50 -1.56 118.95 129.69 1bru s ARG 230 Ca 0.70 -0.28 0.11 0.00 -0.13 0.00 0.00 55.73 56.13 1bru s ARG 230 Cb -0.47 -4.11 0.93 0.00 -1.56 0.00 0.00 34.95 29.74 1bru s ARG 230 CO 0.36 -1.74 2.00 0.28 -0.81 0.00 0.00 175.30 175.40 1bru h VAL 231 N 6.04 1.12 0.00 7.11 2.07 -1.30 -1.12 116.25 130.17 1bru h VAL 231 Ca -0.27 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1bru h VAL 231 Cb 1.06 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1bru h VAL 231 CO 1.17 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 177.38 1bru n SER 232 N -4.38 0.00 0.01 0.57 3.41 -1.26 -0.58 113.62 111.40 1bru n SER 232 Ca -0.01 0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.82 1bru n SER 232 Cb 0.19 -0.26 0.39 0.00 -0.26 0.00 0.00 64.21 64.27 1bru n SER 232 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bru n ASN 233 N -1.26 0.35 -0.21 4.04 5.15 -0.42 -1.35 115.26 121.56 1bru n ASN 233 Ca 0.05 0.13 0.07 0.00 -0.60 0.00 0.00 54.58 54.23 1bru n ASN 233 Cb 0.08 -0.12 0.09 0.00 -0.53 0.00 0.00 39.78 39.31 1bru n ASN 233 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1bru n TYR 234 N -1.62 0.00 -0.24 1.20 4.01 0.26 -4.79 117.16 115.98 1bru n TYR 234 Ca 0.06 -0.67 -0.03 0.00 -0.16 0.00 0.00 57.90 57.10 1bru n TYR 234 Cb 0.35 -0.12 0.09 0.00 -0.31 0.00 0.00 39.34 39.35 1bru n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1bru h ILE 235 N 2.27 1.04 -0.44 -0.72 1.08 -1.75 0.70 117.51 119.70 1bru h ILE 235 Ca 0.00 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1bru h ILE 235 Cb 1.13 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1bru h ILE 235 CO 0.00 0.14 0.22 0.44 -0.69 0.00 0.00 178.15 178.27 1bru h ASP 236 N 0.79 0.56 -0.59 1.72 3.32 -1.92 -2.08 116.42 118.21 1bru h ASP 236 Ca 0.29 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1bru h ASP 236 Cb 0.09 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1bru h ASP 236 CO -0.14 0.51 0.33 -0.25 -1.72 0.00 0.00 179.24 177.98 1bru h TRP 237 N 0.57 0.81 -0.65 4.55 7.01 -1.68 -1.13 115.95 125.43 1bru h TRP 237 Ca 0.15 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.23 1bru h TRP 237 Cb 0.09 -0.26 -0.07 0.00 -2.10 0.00 0.00 29.16 26.82 1bru h TRP 237 CO -0.02 0.58 0.28 0.82 -2.79 0.00 0.00 178.44 177.31 1bru h ILE 238 N 0.80 0.79 -0.03 2.65 2.04 -0.76 -0.53 117.51 122.47 1bru h ILE 238 Ca 0.21 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.76 1bru h ILE 238 Cb 0.03 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1bru h ILE 238 CO -0.04 0.09 -0.65 0.78 0.00 0.00 0.00 178.15 178.33 1bru h ASN 239 N 0.48 0.15 -0.40 1.72 2.35 -1.18 -2.17 115.58 116.53 1bru h ASN 239 Ca 0.33 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 1bru h ASN 239 Cb 0.40 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1bru h ASN 239 CO -0.30 0.76 0.02 0.28 -1.65 0.00 0.00 177.43 176.53 1bru h SER 240 N 0.09 0.69 -0.63 5.81 0.02 -0.76 -0.65 113.55 118.12 1bru h SER 240 Ca -0.01 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1bru h SER 240 Cb 1.16 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 1bru h SER 240 CO 0.09 0.82 0.41 0.58 -1.14 0.00 0.00 176.83 177.59 1bru h VAL 241 N 0.54 1.15 -0.69 2.27 2.07 -1.07 0.17 116.25 120.69 1bru h VAL 241 Ca 0.12 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1bru h VAL 241 Cb 0.45 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1bru h VAL 241 CO 0.02 0.15 0.28 0.40 0.02 0.00 0.00 177.57 178.44 1bru h ILE 242 N 0.84 1.24 -0.06 4.57 2.04 -1.33 -1.24 117.51 123.57 1bru h ILE 242 Ca 0.24 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 1bru h ILE 242 Cb -0.08 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1bru h ILE 242 CO -0.06 0.30 -0.35 0.00 0.00 0.00 0.00 178.15 178.04 1bru h ALA 243 N 1.13 1.31 -0.46 1.87 0.00 -0.78 -3.23 119.26 119.10 1bru h ALA 243 Ca 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bru h ALA 243 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bru h ALA 243 CO -0.02 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.81 1bru n ASN 244 N -4.10 3.42 0.00 0.00 4.13 0.56 -5.09 115.26 114.18 1bru n ASN 244 Ca -0.02 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.27 1bru n ASN 244 Cb 0.41 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 1bru n ASN 244 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13