#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br5 s ASP 21 N 0.00 0.93 0.29 4.31 -1.08 -1.26 -5.04 116.67 114.82 2br5 s ASP 21 Ca 0.00 -0.54 0.15 0.00 -0.52 0.00 0.00 52.55 51.64 2br5 s ASP 21 Cb 0.00 0.86 0.28 0.00 -1.46 0.00 0.00 42.92 42.60 2br5 s ASP 21 CO 0.00 -0.37 1.54 -0.65 0.52 0.00 0.00 175.17 176.21 2br5 h PRO 22 N 8.20 0.00 -7.23 4.34 0.11 -2.00 -3.45 132.00 131.97 2br5 h PRO 22 Ca -0.10 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.49 2br5 h PRO 22 Cb 1.10 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.33 2br5 h PRO 22 CO 0.29 0.54 0.35 0.00 -0.21 0.00 0.00 178.00 178.97 2br5 s ALA 23 N -3.22 2.32 -0.01 -0.75 0.00 -1.26 -4.31 121.76 114.53 2br5 s ALA 23 Ca 0.02 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 52.31 2br5 s ALA 23 Cb 0.10 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 2br5 s ALA 23 CO 0.73 -1.56 0.47 -0.47 0.00 0.00 0.00 175.76 174.93 2br5 s TYR 24 N -2.48 3.70 -0.06 0.00 5.04 -1.26 -4.76 117.35 117.53 2br5 s TYR 24 Ca 0.66 1.05 0.01 0.00 -2.44 0.00 0.00 57.07 56.34 2br5 s TYR 24 Cb -0.21 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.72 2br5 s TYR 24 CO 0.47 0.53 -0.06 -1.01 -1.34 0.00 0.00 175.55 174.14 2br5 s HIS 25 N -0.71 0.98 0.34 4.97 3.76 -1.26 -4.97 115.29 118.40 2br5 s HIS 25 Ca 0.26 -0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 2br5 s HIS 25 Cb -0.17 -0.85 -0.10 0.00 1.11 0.00 0.00 32.58 32.57 2br5 s HIS 25 CO 0.14 -0.28 1.35 -1.25 -0.85 0.00 0.00 174.74 173.86 2br5 s PRO 26 N 1.15 4.29 0.33 8.40 0.04 -1.26 -4.95 135.00 143.00 2br5 s PRO 26 Ca -0.07 2.31 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 2br5 s PRO 26 Cb -0.14 -3.05 -0.13 0.00 0.04 0.00 0.00 34.50 31.23 2br5 s PRO 26 CO -0.01 -0.28 1.25 -0.35 0.04 0.00 0.00 177.00 177.65 2br5 n PRO 27 N 0.73 2.00 -4.76 0.56 -0.04 -1.26 -5.02 135.00 127.20 2br5 n PRO 27 Ca 0.00 0.70 -0.33 0.00 -0.04 0.00 0.00 63.50 63.83 2br5 n PRO 27 Cb 0.41 -2.25 -0.12 0.00 -0.04 0.00 0.00 33.50 31.50 2br5 n PRO 27 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2br5 s VAL 28 N -1.06 3.32 0.87 0.52 1.01 -1.26 -5.14 120.40 118.66 2br5 s VAL 28 Ca 0.56 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 2br5 s VAL 28 Cb -0.59 -2.33 0.11 0.00 0.00 0.00 0.00 36.38 33.57 2br5 s VAL 28 CO 0.62 0.58 1.12 -0.76 0.00 0.00 0.00 175.10 176.66 2br5 s LEU 29 N -0.82 2.22 0.12 3.92 1.43 -1.26 -4.99 118.68 119.30 2br5 s LEU 29 Ca 0.12 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 2br5 s LEU 29 Cb -0.11 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2br5 s LEU 29 CO 0.01 -2.34 0.00 0.41 0.23 0.00 0.00 176.35 174.66 2br5 n THR 30 N -3.65 0.53 -0.01 5.49 -1.04 -1.26 -4.96 114.28 109.38 2br5 n THR 30 Ca 0.07 0.18 -0.14 0.00 -2.04 0.00 0.00 64.05 62.11 2br5 n THR 30 Cb 0.58 -1.01 -0.14 0.00 -1.82 0.00 0.00 70.33 67.94 2br5 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2br5 n ASP 31 N -3.18 1.38 -4.62 8.00 5.75 -1.26 -4.93 116.55 117.69 2br5 n ASP 31 Ca 0.00 0.32 -0.30 0.00 -0.01 0.00 0.00 54.79 54.80 2br5 n ASP 31 Cb 0.00 -0.37 -0.09 0.00 -1.03 0.00 0.00 41.12 39.62 2br5 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2br5 s ARG 32 N -2.58 2.31 0.99 0.11 1.04 -1.26 -5.12 118.95 114.43 2br5 s ARG 32 Ca -0.12 -0.94 -0.12 0.00 -1.04 0.00 0.00 55.73 53.51 2br5 s ARG 32 Cb 0.07 -2.41 0.18 0.00 -2.04 0.00 0.00 34.95 30.76 2br5 s ARG 32 CO 0.80 0.52 1.08 -1.25 -0.04 0.00 0.00 175.30 176.41 2br5 s PRO 33 N -2.25 0.51 0.09 3.89 0.04 -1.26 -4.90 135.00 131.12 2br5 s PRO 33 Ca 0.23 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.23 2br5 s PRO 33 Cb -0.11 -1.71 -0.25 0.00 0.04 0.00 0.00 34.50 32.46 2br5 s PRO 33 CO 0.16 -2.79 1.20 -0.09 0.04 0.00 0.00 177.00 175.51 2br5 h ARG 34 N -1.96 0.15 -3.92 4.56 2.43 -2.00 -3.42 114.38 110.23 2br5 h ARG 34 Ca -0.52 -0.25 -0.75 0.00 -0.81 0.00 0.00 59.98 57.65 2br5 h ARG 34 Cb 1.30 0.09 -0.29 0.00 -0.42 0.00 0.00 29.97 30.65 2br5 h ARG 34 CO 0.51 1.12 -0.17 -0.51 -1.51 0.00 0.00 179.97 179.41 2br5 s ASP 35 N -6.94 6.07 -0.11 -3.80 1.01 -1.26 -5.05 116.67 106.58 2br5 s ASP 35 Ca -0.02 -2.43 -0.24 0.00 0.71 0.00 0.00 52.55 50.57 2br5 s ASP 35 Cb 0.08 -2.08 -0.03 0.00 1.01 0.00 0.00 42.92 41.91 2br5 s ASP 35 CO 0.85 -0.59 0.73 0.86 0.21 0.00 0.00 175.17 177.24 2br5 s TRP 36 N 0.57 3.50 0.56 4.23 -0.11 -1.26 -5.04 118.94 121.40 2br5 s TRP 36 Ca 0.13 1.21 -0.20 0.00 1.22 0.00 0.00 56.10 58.45 2br5 s TRP 36 Cb -0.19 -2.87 -0.04 0.00 -1.50 0.00 0.00 33.47 28.87 2br5 s TRP 36 CO -0.04 -0.05 1.28 -1.25 -4.62 0.00 0.00 176.95 172.27 2br5 s PRO 37 N 1.35 3.07 0.16 5.86 0.04 -1.26 -4.94 135.00 139.29 2br5 s PRO 37 Ca 0.37 2.04 0.25 0.00 0.04 0.00 0.00 61.00 63.69 2br5 s PRO 37 Cb -0.17 -2.12 0.51 0.00 0.04 0.00 0.00 34.50 32.77 2br5 s PRO 37 CO 0.15 -1.18 1.49 -0.07 0.04 0.00 0.00 177.00 177.44 2br5 h LEU 38 N 1.22 0.00 -0.02 -3.56 4.07 -1.98 -3.14 115.31 111.90 2br5 h LEU 38 Ca -0.51 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.33 2br5 h LEU 38 Cb 1.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.04 2br5 h LEU 38 CO 0.56 0.06 0.00 -0.90 -1.08 0.00 0.00 178.44 177.09 2br5 n ASP 39 N -2.20 0.16 -1.30 -0.43 3.85 -1.26 -2.79 116.55 112.58 2br5 n ASP 39 Ca 0.04 0.52 -0.09 0.00 -0.71 0.00 0.00 54.79 54.55 2br5 n ASP 39 Cb 0.44 -0.56 0.13 0.00 -1.35 0.00 0.00 41.12 39.78 2br5 n ASP 39 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2br5 n ARG 40 N -1.65 2.44 -0.16 0.11 5.12 -1.19 -4.86 116.66 116.46 2br5 n ARG 40 Ca 0.06 -3.62 -0.09 0.00 -1.93 0.00 0.00 57.85 52.27 2br5 n ARG 40 Cb 0.34 -1.93 -0.00 0.00 -1.16 0.00 0.00 32.46 29.71 2br5 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 2br5 h TRP 41 N 1.49 0.79 0.00 -1.55 7.01 -1.50 -2.99 115.95 119.20 2br5 h TRP 41 Ca 0.20 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 61.09 2br5 h TRP 41 Cb 1.30 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.14 2br5 h TRP 41 CO 0.87 0.74 0.00 0.00 -2.79 0.00 0.00 178.44 177.26 2br5 h ALA 42 N 0.95 1.00 -0.02 2.65 0.00 -1.89 -2.80 119.26 119.15 2br5 h ALA 42 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2br5 h ALA 42 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2br5 h ALA 42 CO 0.01 0.00 -0.21 0.39 0.00 0.00 0.00 179.25 179.43 2br5 n GLU 43 N -2.46 1.69 -1.48 0.00 1.02 -1.13 -4.99 120.64 113.30 2br5 n GLU 43 Ca 0.00 -1.35 -0.33 0.00 -0.02 0.00 0.00 57.16 55.46 2br5 n GLU 43 Cb 0.16 -1.47 0.08 0.00 -0.02 0.00 0.00 31.44 30.19 2br5 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2br5 s ALA 44 N -2.23 2.20 0.06 0.62 0.00 -1.06 -4.94 121.76 116.40 2br5 s ALA 44 Ca 0.25 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 2br5 s ALA 44 Cb 0.19 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2br5 s ALA 44 CO 0.43 -1.72 1.18 -2.14 0.00 0.00 0.00 175.76 173.51 2br5 s PRO 45 N -4.11 4.44 0.08 0.00 0.02 -1.26 -4.95 135.00 129.23 2br5 s PRO 45 Ca 0.70 1.75 0.25 0.00 0.02 0.00 0.00 61.00 63.71 2br5 s PRO 45 Cb -0.25 -3.35 0.43 0.00 0.02 0.00 0.00 34.50 31.35 2br5 s PRO 45 CO 0.46 -0.24 1.37 0.54 -0.33 0.00 0.00 177.00 178.80 2br5 n ARG 46 N 3.91 0.20 -1.82 5.54 5.12 -1.26 -4.91 116.66 123.44 2br5 n ARG 46 Ca 0.09 0.06 -0.31 0.00 -1.93 0.00 0.00 57.85 55.76 2br5 n ARG 46 Cb 0.47 -1.63 0.03 0.00 -1.16 0.00 0.00 32.46 30.16 2br5 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br5 s ASP 47 N -3.86 5.84 0.43 0.55 1.47 -1.26 -4.95 116.67 114.89 2br5 s ASP 47 Ca 0.08 1.37 0.16 0.00 1.18 0.00 0.00 52.55 55.34 2br5 s ASP 47 Cb 0.15 -2.32 1.06 0.00 -0.34 0.00 0.00 42.92 41.46 2br5 s ASP 47 CO 0.71 -1.12 1.92 0.25 0.68 0.00 0.00 175.17 177.61 2br5 h LEU 48 N -0.49 0.39 0.00 2.11 5.85 -2.04 -3.45 115.31 117.67 2br5 h LEU 48 Ca -0.44 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2br5 h LEU 48 Cb 1.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2br5 h LEU 48 CO 0.62 0.20 0.00 0.61 -0.34 0.00 0.00 178.44 179.53 2br5 n GLY 49 N -1.52 0.80 3.48 3.75 0.00 -1.26 -5.02 105.19 105.42 2br5 n GLY 49 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2br5 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br5 s TYR 50 N -2.41 -0.49 0.63 1.61 -0.85 -1.26 -4.74 117.35 109.83 2br5 s TYR 50 Ca 0.00 0.49 -0.18 0.00 -0.52 0.00 0.00 57.07 56.86 2br5 s TYR 50 Cb 0.00 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.82 2br5 s TYR 50 CO 0.00 -0.67 1.11 0.45 -1.52 0.00 0.00 175.55 174.93 2br5 n SER 51 N 0.03 1.34 -2.13 -0.18 2.88 -1.26 -4.98 113.62 109.32 2br5 n SER 51 Ca -0.14 0.81 -0.05 0.00 -1.33 0.00 0.00 58.87 58.15 2br5 n SER 51 Cb 0.62 -1.47 0.05 0.00 -0.75 0.00 0.00 64.21 62.67 2br5 n SER 51 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2br5 n ASP 52 N -1.34 2.42 0.03 -3.46 5.75 -1.26 -4.81 116.55 113.88 2br5 n ASP 52 Ca 0.15 -2.70 -0.13 0.00 -0.01 0.00 0.00 54.79 52.10 2br5 n ASP 52 Cb 0.48 -0.42 -0.07 0.00 -1.03 0.00 0.00 41.12 40.08 2br5 n ASP 52 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2br5 h PHE 53 N 2.03 -1.25 -0.61 2.11 3.04 -2.06 -3.41 116.94 116.80 2br5 h PHE 53 Ca 0.00 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 2br5 h PHE 53 Cb 1.42 0.56 -0.16 0.00 2.56 0.00 0.00 35.95 40.33 2br5 h PHE 53 CO 0.57 -0.50 -0.32 0.45 -2.02 0.00 0.00 178.31 176.49 2br5 n SER 54 N -5.45 -2.53 -2.64 0.41 2.88 -1.26 -5.05 113.62 99.99 2br5 n SER 54 Ca -0.05 -2.03 -0.37 0.00 -1.33 0.00 0.00 58.87 55.09 2br5 n SER 54 Cb 0.37 1.29 0.05 0.00 -0.75 0.00 0.00 64.21 65.17 2br5 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br5 n PRO 55 N 2.75 2.78 -4.90 -1.46 -0.04 -1.26 -4.85 135.00 128.01 2br5 n PRO 55 Ca 0.15 -3.48 -0.33 0.00 -0.04 0.00 0.00 63.50 59.80 2br5 n PRO 55 Cb 0.60 -2.28 -0.14 0.00 -0.04 0.00 0.00 33.50 31.65 2br5 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br5 s TYR 56 N -3.94 2.71 0.23 0.54 1.51 -1.26 -4.99 117.35 112.14 2br5 s TYR 56 Ca 0.57 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 56.30 2br5 s TYR 56 Cb 0.47 -1.70 -0.05 0.00 -0.11 0.00 0.00 41.96 40.56 2br5 s TYR 56 CO -0.23 -0.01 -0.13 1.14 -1.11 0.00 0.00 175.55 175.21 2br5 s GLN 57 N -0.26 1.41 -0.26 -0.62 -2.07 -1.26 0.03 119.66 116.63 2br5 s GLN 57 Ca 0.01 -1.65 0.00 0.00 -1.82 0.00 0.00 55.36 51.90 2br5 s GLN 57 Cb -0.13 -1.17 0.07 0.00 -1.09 0.00 0.00 33.01 30.70 2br5 s GLN 57 CO 0.03 0.16 0.00 -0.46 -1.32 0.00 0.00 175.29 173.70 2br5 s TRP 58 N -2.96 2.25 -1.16 9.60 -0.11 -0.11 -4.84 118.94 121.60 2br5 s TRP 58 Ca 0.25 -1.79 -0.05 0.00 1.22 0.00 0.00 56.10 55.73 2br5 s TRP 58 Cb 0.00 -1.71 0.01 0.00 -1.50 0.00 0.00 33.47 30.27 2br5 s TRP 58 CO 0.09 -0.80 1.00 0.54 -4.62 0.00 0.00 176.95 173.16 2br5 n ARG 59 N 4.70 -6.70 -0.91 5.86 1.74 -1.26 -2.35 116.66 117.74 2br5 n ARG 59 Ca -0.08 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 2br5 n ARG 59 Cb 0.44 -5.54 0.00 0.00 -1.02 0.00 0.00 32.46 26.34 2br5 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br5 n GLY 60 N -1.57 0.75 3.62 -0.13 0.00 -1.26 -5.04 105.19 101.57 2br5 n GLY 60 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2br5 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br5 s LEU 61 N 0.00 3.32 0.91 0.99 1.43 -0.99 -4.28 118.68 120.06 2br5 s LEU 61 Ca 0.00 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2br5 s LEU 61 Cb 0.00 -1.79 0.12 0.00 0.03 0.00 0.00 46.19 44.54 2br5 s LEU 61 CO 0.00 0.34 1.00 0.54 0.23 0.00 0.00 176.35 178.46 2br5 n ARG 62 N 1.96 -0.33 -3.68 1.70 1.74 -1.26 -0.94 116.66 115.84 2br5 n ARG 62 Ca -0.17 -0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.78 2br5 n ARG 62 Cb 0.53 -2.28 -0.10 0.00 -1.02 0.00 0.00 32.46 29.59 2br5 n ARG 62 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2br5 s MET 63 N -4.34 0.41 -0.58 5.56 -1.94 0.10 -3.65 119.30 114.86 2br5 s MET 63 Ca 0.66 0.91 0.01 0.00 -1.71 0.00 0.00 55.69 55.55 2br5 s MET 63 Cb -0.24 0.10 0.52 0.00 2.01 0.00 0.00 34.83 37.22 2br5 s MET 63 CO 0.59 -0.18 1.95 1.28 -0.01 0.00 0.00 175.02 178.65 2br5 n LEU 64 N 4.57 7.20 -4.36 -0.03 4.77 -1.26 -4.22 117.00 123.67 2br5 n LEU 64 Ca -0.19 -4.09 -0.34 0.00 -0.03 0.00 0.00 56.01 51.36 2br5 n LEU 64 Cb 0.54 -0.90 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 2br5 n LEU 64 CO 0.05 1.37 -0.42 -0.54 -1.33 0.00 0.00 177.39 176.52 2br5 s LYS 65 N -3.64 3.40 0.94 3.23 3.01 -1.26 -5.11 119.74 120.30 2br5 s LYS 65 Ca 0.61 -0.65 -0.12 0.00 -1.01 0.00 0.00 55.97 54.81 2br5 s LYS 65 Cb 0.49 -2.80 0.07 0.00 -1.01 0.00 0.00 37.83 34.59 2br5 s LYS 65 CO 0.03 0.06 0.63 -0.25 0.51 0.00 0.00 175.35 176.33 2br5 n ASP 66 N 4.01 -1.35 0.12 2.83 8.00 -1.26 -4.78 116.55 124.12 2br5 n ASP 66 Ca -0.18 0.36 0.15 0.00 0.71 0.00 0.00 54.79 55.83 2br5 n ASP 66 Cb 0.52 -1.29 0.69 0.00 -0.02 0.00 0.00 41.12 41.02 2br5 n ASP 66 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2br5 h PRO 67 N -1.65 0.00 -0.37 -0.24 0.11 -1.99 -1.69 132.00 126.17 2br5 h PRO 67 Ca -0.43 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 2br5 h PRO 67 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2br5 h PRO 67 CO 0.36 0.00 -0.41 -0.44 -0.21 0.00 0.00 178.00 177.31 2br5 h ASP 68 N 0.00 1.00 -0.21 -2.05 3.32 -1.95 -1.72 116.42 114.82 2br5 h ASP 68 Ca 0.14 -0.47 -0.14 0.00 0.02 0.00 0.00 57.03 56.57 2br5 h ASP 68 Cb 0.58 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2br5 h ASP 68 CO -0.00 1.27 -0.38 0.74 -1.72 0.00 0.00 179.24 179.15 2br5 h THR 69 N 0.75 1.29 -0.98 0.35 2.02 -1.86 -2.60 112.91 111.88 2br5 h THR 69 Ca 0.05 -1.55 0.03 0.00 0.77 0.00 0.00 66.41 65.72 2br5 h THR 69 Cb 1.00 1.45 -0.06 0.00 -1.74 0.00 0.00 68.15 68.81 2br5 h THR 69 CO 0.10 0.50 0.65 1.56 0.37 0.00 0.00 175.52 178.70 2br5 h GLN 70 N 0.61 1.21 -0.03 6.66 4.20 -1.16 -2.23 115.11 124.38 2br5 h GLN 70 Ca 0.05 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 2br5 h GLN 70 Cb 0.93 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2br5 h GLN 70 CO 0.08 0.80 -0.73 0.00 -0.67 0.00 0.00 178.83 178.31 2br5 h ALA 71 N 1.42 0.71 0.03 3.87 0.00 -1.19 -2.75 119.26 121.36 2br5 h ALA 71 Ca 0.39 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2br5 h ALA 71 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2br5 h ALA 71 CO -0.12 0.83 -0.02 0.28 0.00 0.00 0.00 179.25 180.23 2br5 h VAL 72 N 0.12 1.32 -0.76 0.00 2.07 -1.12 -2.44 116.25 115.44 2br5 h VAL 72 Ca -0.02 -1.14 0.12 0.00 0.82 0.00 0.00 66.70 66.47 2br5 h VAL 72 Cb 1.29 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 33.09 2br5 h VAL 72 CO 0.11 0.29 0.50 1.88 0.02 0.00 0.00 177.57 180.37 2br5 h TYR 73 N -0.55 0.63 0.20 1.57 0.99 -1.49 -1.32 116.97 117.00 2br5 h TYR 73 Ca -0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2br5 h TYR 73 Cb 0.51 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.03 2br5 h TYR 73 CO 0.10 0.27 -0.09 1.25 -0.00 0.00 0.00 178.16 179.68 2br5 h HIS 74 N 0.57 -0.25 -0.94 4.88 2.76 -1.40 0.15 115.15 120.93 2br5 h HIS 74 Ca 0.36 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.66 2br5 h HIS 74 Cb 0.62 0.08 -0.08 0.00 1.55 0.00 0.00 27.41 29.58 2br5 h HIS 74 CO -0.00 0.03 0.60 -0.44 -1.30 0.00 0.00 177.93 176.82 2br5 h ASP 75 N -0.51 0.77 -0.17 3.26 5.19 -1.00 -1.59 116.42 122.36 2br5 h ASP 75 Ca -0.03 0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 2br5 h ASP 75 Cb 0.39 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2br5 h ASP 75 CO 0.04 0.39 -0.32 -0.03 -3.12 0.00 0.00 179.24 176.21 2br5 h MET 76 N 0.82 0.52 -0.39 3.56 4.05 -0.80 -2.08 114.93 120.60 2br5 h MET 76 Ca 0.47 -0.33 -0.09 0.00 -0.28 0.00 0.00 59.70 59.47 2br5 h MET 76 Cb 0.63 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 2br5 h MET 76 CO -0.24 0.93 -0.14 -0.07 0.23 0.00 0.00 176.91 177.62 2br5 h LEU 77 N 0.16 0.71 -0.87 3.39 4.07 -0.36 -0.42 115.31 121.98 2br5 h LEU 77 Ca 0.01 -0.22 -0.11 0.00 0.08 0.00 0.00 57.88 57.64 2br5 h LEU 77 Cb 0.91 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 2br5 h LEU 77 CO 0.07 0.87 -0.37 -0.25 -1.08 0.00 0.00 178.44 177.68 2br5 h TRP 78 N 0.65 0.44 0.04 1.13 2.91 -1.20 -0.31 115.95 119.61 2br5 h TRP 78 Ca 0.11 -0.12 -0.17 0.00 1.13 0.00 0.00 58.89 59.84 2br5 h TRP 78 Cb 0.61 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 2br5 h TRP 78 CO 0.03 0.70 -0.91 1.49 -1.03 0.00 0.00 178.44 178.72 2br5 h GLU 79 N 0.32 0.09 0.01 2.65 4.81 -1.28 -3.40 114.58 117.78 2br5 h GLU 79 Ca 0.03 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 2br5 h GLU 79 Cb 0.80 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.25 2br5 h GLU 79 CO 0.06 1.08 -0.27 1.25 -0.73 0.00 0.00 179.01 180.40 2br5 h LEU 80 N -0.74 0.23 -2.57 1.64 7.12 -1.15 -3.49 115.31 116.34 2br5 h LEU 80 Ca -0.22 -0.80 -0.13 0.00 0.13 0.00 0.00 57.88 56.86 2br5 h LEU 80 Cb 1.38 -0.07 0.10 0.00 -0.53 0.00 0.00 40.66 41.54 2br5 h LEU 80 CO -0.04 1.00 -0.45 0.54 -0.13 0.00 0.00 178.44 179.35 2br5 n ARG 81 N -4.49 -1.47 -2.28 1.25 1.74 -0.13 -4.88 116.66 106.40 2br5 n ARG 81 Ca -0.10 0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 57.40 2br5 n ARG 81 Cb 0.52 -4.73 -0.03 0.00 -1.02 0.00 0.00 32.46 27.20 2br5 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br5 s PRO 82 N -3.73 4.47 0.00 5.56 0.04 -1.26 -4.58 135.00 135.50 2br5 s PRO 82 Ca 0.24 2.01 0.26 0.00 0.04 0.00 0.00 61.00 63.55 2br5 s PRO 82 Cb -0.03 -3.16 0.69 0.00 0.04 0.00 0.00 34.50 32.04 2br5 s PRO 82 CO 0.56 -0.06 1.53 0.54 0.04 0.00 0.00 177.00 179.60 2br5 n ARG 83 N 1.52 0.79 -3.77 4.56 1.74 0.05 -4.30 116.66 117.26 2br5 n ARG 83 Ca 0.01 -0.48 -0.13 0.00 -0.77 0.00 0.00 57.85 56.49 2br5 n ARG 83 Cb 0.43 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.26 2br5 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2br5 s THR 84 N -2.54 -0.02 -0.13 0.55 2.01 -1.06 -2.49 115.64 111.97 2br5 s THR 84 Ca 0.23 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.31 2br5 s THR 84 Cb 0.19 -0.34 0.02 0.00 0.01 0.00 0.00 72.50 72.37 2br5 s THR 84 CO 0.54 0.03 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.70 2br5 s ILE 85 N 0.60 1.62 0.02 1.82 1.01 0.00 -1.41 121.20 124.86 2br5 s ILE 85 Ca -0.04 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2br5 s ILE 85 Cb -0.05 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 2br5 s ILE 85 CO -0.03 0.47 -0.02 -0.69 0.00 0.00 0.00 174.94 174.66 2br5 s VAL 86 N 1.12 3.96 -0.31 2.92 1.01 0.00 -0.23 120.40 128.87 2br5 s VAL 86 Ca -0.03 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2br5 s VAL 86 Cb -0.14 -2.78 0.14 0.00 0.00 0.00 0.00 36.38 33.60 2br5 s VAL 86 CO -0.05 0.34 0.33 -0.70 0.00 0.00 0.00 175.10 175.02 2br5 s GLU 87 N -1.65 0.43 0.18 2.72 -6.30 -0.40 -1.77 118.70 111.91 2br5 s GLU 87 Ca 0.20 -0.35 -0.31 0.00 -2.50 0.00 0.00 54.97 52.01 2br5 s GLU 87 Cb -0.11 -0.66 -0.10 0.00 0.00 0.00 0.00 34.13 33.26 2br5 s GLU 87 CO 0.11 -1.08 1.50 -0.51 0.02 0.00 0.00 175.26 175.30 2br5 s LEU 88 N 2.09 4.37 0.08 2.70 1.43 -0.46 -1.60 118.68 127.28 2br5 s LEU 88 Ca 0.12 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 2br5 s LEU 88 Cb -0.14 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2br5 s LEU 88 CO -0.24 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.19 2br5 n GLY 89 N 3.26 -3.82 0.47 -3.19 0.00 0.24 -2.27 105.19 99.88 2br5 n GLY 89 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2br5 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br5 n VAL 90 N -0.06 0.00 0.00 1.61 0.31 -1.26 -4.81 118.33 114.13 2br5 n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2br5 n VAL 90 Cb 0.00 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 2br5 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br5 n TYR 91 N -2.50 0.00 1.17 3.52 9.36 -1.26 -2.36 117.16 125.08 2br5 n TYR 91 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 2br5 n TYR 91 Cb 0.38 0.00 0.23 0.00 -0.63 0.00 0.00 39.34 39.32 2br5 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br5 n ASN 92 N 8.96 2.13 0.00 2.98 6.94 -1.26 -1.74 115.26 133.28 2br5 n ASN 92 Ca 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 52.94 2br5 n ASN 92 Cb 0.00 0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 2br5 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br5 n GLY 93 N 1.32 0.65 0.38 4.83 0.00 -1.00 -1.28 105.19 110.10 2br5 n GLY 93 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2br5 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br5 h GLY 94 N 0.00 -0.62 0.17 -0.02 0.00 -1.78 -2.45 103.07 98.38 2br5 h GLY 94 Ca 0.00 0.50 0.09 0.00 0.00 0.00 0.00 47.33 47.92 2br5 h GLY 94 CO 0.00 -0.22 -0.05 1.76 0.00 0.00 0.00 176.54 178.04 2br5 h SER 95 N -0.44 -0.29 0.08 0.19 0.02 -1.86 0.11 113.55 111.36 2br5 h SER 95 Ca 0.09 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2br5 h SER 95 Cb 0.60 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 2br5 h SER 95 CO -0.42 -0.10 -0.18 -0.07 -1.14 0.00 0.00 176.83 174.92 2br5 h LEU 96 N 0.06 -0.51 -0.55 5.07 4.07 -1.85 0.21 115.31 121.81 2br5 h LEU 96 Ca 0.23 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.26 2br5 h LEU 96 Cb 0.34 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 2br5 h LEU 96 CO -0.42 -0.26 0.36 0.00 -1.08 0.00 0.00 178.44 177.04 2br5 h ALA 97 N 0.51 0.70 -0.11 1.53 0.00 -1.06 -1.25 119.26 119.58 2br5 h ALA 97 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2br5 h ALA 97 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2br5 h ALA 97 CO -0.12 0.15 -0.04 2.35 0.00 0.00 0.00 179.25 181.59 2br5 h TRP 98 N 0.75 -0.09 0.10 0.00 7.01 -0.38 0.84 115.95 124.18 2br5 h TRP 98 Ca 0.20 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 2br5 h TRP 98 Cb -0.08 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 2br5 h TRP 98 CO -0.03 -0.07 -0.05 0.74 -2.79 0.00 0.00 178.44 176.24 2br5 h PHE 99 N -0.02 -0.13 -0.80 2.65 0.05 -0.42 0.00 116.94 118.29 2br5 h PHE 99 Ca 0.06 -0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.88 2br5 h PHE 99 Cb 0.11 0.04 -0.05 0.00 2.00 0.00 0.00 35.95 38.05 2br5 h PHE 99 CO -0.17 -0.01 0.51 -0.09 -0.18 0.00 0.00 178.31 178.37 2br5 h ARG 100 N -0.21 0.95 -0.23 1.51 1.12 -1.12 -0.93 114.38 115.47 2br5 h ARG 100 Ca -0.01 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.71 2br5 h ARG 100 Cb 0.17 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 2br5 h ARG 100 CO 0.02 0.63 -0.23 -0.44 -3.11 0.00 0.00 179.97 176.84 2br5 h ASP 101 N 0.98 0.42 0.06 -3.80 3.32 -0.54 -1.70 116.42 115.15 2br5 h ASP 101 Ca 0.32 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.10 2br5 h ASP 101 Cb 0.03 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.48 2br5 h ASP 101 CO -0.12 0.66 -0.58 0.25 -1.72 0.00 0.00 179.24 177.73 2br5 h LEU 102 N 0.38 0.41 -1.27 1.55 6.46 -0.18 -1.66 115.31 121.00 2br5 h LEU 102 Ca 0.06 -0.86 -0.02 0.00 -0.12 0.00 0.00 57.88 56.94 2br5 h LEU 102 Cb 0.62 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 2br5 h LEU 102 CO 0.04 1.23 0.29 0.71 -0.62 0.00 0.00 178.44 180.10 2br5 h THR 103 N -0.36 1.18 -0.36 1.05 1.35 -1.22 -1.37 112.91 113.19 2br5 h THR 103 Ca -0.09 -0.49 -0.06 0.00 -0.55 0.00 0.00 66.41 65.22 2br5 h THR 103 Cb 1.37 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 2br5 h THR 103 CO 0.11 0.21 0.01 0.50 -0.25 0.00 0.00 175.52 176.10 2br5 h LYS 104 N 0.80 0.62 -0.42 4.72 3.64 -1.26 0.83 116.57 125.50 2br5 h LYS 104 Ca 0.20 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2br5 h LYS 104 Cb 0.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2br5 h LYS 104 CO -0.03 0.73 0.01 0.82 -2.27 0.00 0.00 179.45 178.71 2br5 h ILE 105 N 0.44 1.22 0.00 2.00 2.04 -1.06 -1.80 117.51 120.35 2br5 h ILE 105 Ca 0.10 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2br5 h ILE 105 Cb 0.45 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2br5 h ILE 105 CO 0.02 0.31 0.00 0.23 0.00 0.00 0.00 178.15 178.71 2br5 n MET 106 N -4.25 0.79 -1.14 2.37 2.81 -0.54 -4.91 117.12 112.25 2br5 n MET 106 Ca 0.02 0.01 -0.05 0.00 -1.81 0.00 0.00 57.70 55.87 2br5 n MET 106 Cb 0.27 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 2br5 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br5 n GLY 107 N 0.92 0.65 3.76 3.03 0.00 -0.60 -5.00 105.19 107.96 2br5 n GLY 107 Ca 0.20 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2br5 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br5 s ILE 108 N -1.84 4.16 -0.96 -0.61 1.01 0.19 -4.99 121.20 118.15 2br5 s ILE 108 Ca 0.00 1.94 -0.17 0.00 0.00 0.00 0.00 60.65 62.43 2br5 s ILE 108 Cb 0.00 -4.19 0.16 0.00 0.01 0.00 0.00 42.46 38.44 2br5 s ILE 108 CO 0.00 0.36 1.10 -0.62 0.00 0.00 0.00 174.94 175.78 2br5 s ASP 109 N -1.35 6.75 -0.06 3.58 3.68 -1.26 -4.29 116.67 123.71 2br5 s ASP 109 Ca 0.44 -2.37 0.04 0.00 2.13 0.00 0.00 52.55 52.79 2br5 s ASP 109 Cb -0.23 -2.35 -0.02 0.00 -1.45 0.00 0.00 42.92 38.87 2br5 s ASP 109 CO 0.28 -0.89 -0.18 0.00 0.13 0.00 0.00 175.17 174.51 2br5 s GLN 111 N -0.43 3.47 -0.24 0.00 -1.52 -1.04 -4.87 119.66 115.03 2br5 s GLN 111 Ca 0.05 -0.35 -0.02 0.00 -1.95 0.00 0.00 55.36 53.08 2br5 s GLN 111 Cb -0.12 -3.01 0.02 0.00 -0.22 0.00 0.00 33.01 29.67 2br5 s GLN 111 CO 0.02 0.52 -0.05 0.08 -0.25 0.00 0.00 175.29 175.60 2br5 s VAL 112 N -0.35 3.02 -0.19 1.09 1.01 -0.60 -0.82 120.40 123.56 2br5 s VAL 112 Ca 0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 2br5 s VAL 112 Cb -0.12 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2br5 s VAL 112 CO 0.02 0.26 0.06 -0.63 0.00 0.00 0.00 175.10 174.80 2br5 s ILE 113 N 1.37 4.74 -0.16 2.22 1.09 0.68 -1.72 121.20 129.42 2br5 s ILE 113 Ca 0.02 -0.05 -0.02 0.00 -1.10 0.00 0.00 60.65 59.50 2br5 s ILE 113 Cb -0.16 -3.14 -0.02 0.00 -1.06 0.00 0.00 42.46 38.09 2br5 s ILE 113 CO -0.04 0.45 -0.09 -0.83 -0.10 0.00 0.00 174.94 174.34 2br5 s GLY 114 N 0.44 1.60 -0.11 6.18 0.00 -0.82 -1.27 107.32 113.33 2br5 s GLY 114 Ca 0.03 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.82 2br5 s GLY 114 CO 0.01 0.02 -0.22 -0.42 0.00 0.00 0.00 173.10 172.48 2br5 s ILE 115 N 0.68 2.22 -0.29 0.90 1.01 -0.63 -1.74 121.20 123.36 2br5 s ILE 115 Ca -0.04 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.49 2br5 s ILE 115 Cb -0.15 -1.87 0.13 0.00 0.01 0.00 0.00 42.46 40.59 2br5 s ILE 115 CO 0.02 0.55 0.91 -0.62 0.00 0.00 0.00 174.94 175.80 2br5 s ASP 116 N 0.42 -0.62 0.18 3.58 -1.08 -1.14 0.81 116.67 118.82 2br5 s ASP 116 Ca -0.16 0.97 -0.12 0.00 -0.52 0.00 0.00 52.55 52.72 2br5 s ASP 116 Cb -0.17 1.32 0.10 0.00 -1.46 0.00 0.00 42.92 42.71 2br5 s ASP 116 CO 0.07 -0.15 1.79 0.08 0.52 0.00 0.00 175.17 177.48 2br5 h ARG 117 N 6.44 0.90 -3.79 4.34 0.11 -1.70 -3.28 114.38 117.40 2br5 h ARG 117 Ca -0.27 -0.11 -0.76 0.00 0.10 0.00 0.00 59.98 58.94 2br5 h ARG 117 Cb 1.19 -0.17 -0.29 0.00 1.11 0.00 0.00 29.97 31.81 2br5 h ARG 117 CO 0.18 0.69 -0.07 0.34 0.10 0.00 0.00 179.97 181.21 2br5 s ASP 118 N -5.97 6.26 0.47 0.08 -1.08 -1.26 -4.56 116.67 110.60 2br5 s ASP 118 Ca -0.13 -2.67 0.26 0.00 -0.52 0.00 0.00 52.55 49.49 2br5 s ASP 118 Cb 0.13 -2.10 0.61 0.00 -1.46 0.00 0.00 42.92 40.10 2br5 s ASP 118 CO 0.78 -0.53 1.71 -0.07 0.52 0.00 0.00 175.17 177.58 2br5 h LEU 119 N 7.64 0.00 -0.41 -1.34 3.38 -1.95 -3.36 115.31 119.27 2br5 h LEU 119 Ca 0.04 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2br5 h LEU 119 Cb 1.02 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 2br5 h LEU 119 CO 0.76 0.00 -0.10 0.77 0.09 0.00 0.00 178.44 179.96 2br5 h SER 120 N 0.00 -0.38 -1.04 -0.43 4.64 -1.92 -2.57 113.55 111.86 2br5 h SER 120 Ca 0.00 0.12 0.33 0.00 -0.47 0.00 0.00 61.79 61.77 2br5 h SER 120 Cb 0.87 0.25 -0.14 0.00 -0.31 0.00 0.00 62.40 63.07 2br5 h SER 120 CO 0.00 -0.13 0.61 0.03 -0.87 0.00 0.00 176.83 176.46 2br5 h ARG 121 N 0.00 0.29 -5.85 4.77 -0.00 -1.77 -3.41 114.38 108.42 2br5 h ARG 121 Ca 0.20 -0.02 -0.70 0.00 -0.50 0.00 0.00 59.98 58.96 2br5 h ARG 121 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.17 2br5 h ARG 121 CO -0.42 0.19 1.41 0.00 0.00 0.00 0.00 179.97 181.15 2br5 n GLN 123 N 7.85 0.02 -1.89 0.00 1.13 -0.40 -4.93 117.38 119.15 2br5 n GLN 123 Ca 0.53 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 55.18 2br5 n GLN 123 Cb 0.05 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 28.85 2br5 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br5 s ILE 124 N -3.01 3.32 0.40 5.09 1.01 -1.25 -4.95 121.20 121.81 2br5 s ILE 124 Ca 0.13 0.46 -0.23 0.00 0.00 0.00 0.00 60.65 61.02 2br5 s ILE 124 Cb 0.18 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 2br5 s ILE 124 CO 0.57 -0.03 0.97 -2.16 0.00 0.00 0.00 174.94 174.28 2br5 s PRO 125 N 3.95 4.28 0.37 2.79 0.04 -1.26 -4.96 135.00 140.21 2br5 s PRO 125 Ca 0.78 1.24 0.18 0.00 0.04 0.00 0.00 61.00 63.24 2br5 s PRO 125 Cb -0.37 -2.37 1.14 0.00 0.04 0.00 0.00 34.50 32.93 2br5 s PRO 125 CO 0.34 0.01 1.69 0.00 0.04 0.00 0.00 177.00 179.07 2br5 h ALA 126 N 2.28 2.16 0.00 8.56 0.00 -2.02 -0.71 119.26 129.53 2br5 h ALA 126 Ca -0.48 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2br5 h ALA 126 Cb 1.19 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2br5 h ALA 126 CO 0.62 -0.71 0.00 -1.13 0.00 0.00 0.00 179.25 178.03 2br5 n SER 127 N -4.86 0.00 -2.73 0.00 3.41 -1.26 -3.23 113.62 104.95 2br5 n SER 127 Ca 0.31 -0.89 -0.04 0.00 -0.26 0.00 0.00 58.87 57.99 2br5 n SER 127 Cb 1.02 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 65.02 2br5 n SER 127 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2br5 n ASP 128 N -0.76 1.94 -0.07 4.04 2.03 -0.27 -4.84 116.55 118.62 2br5 n ASP 128 Ca 0.08 -2.31 0.02 0.00 0.52 0.00 0.00 54.79 53.09 2br5 n ASP 128 Cb 0.04 -0.47 -0.00 0.00 -0.72 0.00 0.00 41.12 39.96 2br5 n ASP 128 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2br5 n MET 129 N -0.54 3.15 -1.70 -0.67 2.81 -1.20 -4.84 117.12 114.14 2br5 n MET 129 Ca 0.12 -0.32 -0.56 0.00 -1.81 0.00 0.00 57.70 55.13 2br5 n MET 129 Cb 0.82 -0.84 -0.07 0.00 -0.71 0.00 0.00 33.22 32.42 2br5 n MET 129 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2br5 n GLU 130 N -0.52 1.29 -2.30 0.03 1.02 -1.26 -0.11 120.64 118.78 2br5 n GLU 130 Ca 0.01 0.47 -0.12 0.00 -0.02 0.00 0.00 57.16 57.51 2br5 n GLU 130 Cb 0.08 -2.17 -0.00 0.00 -0.02 0.00 0.00 31.44 29.32 2br5 n GLU 130 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2br5 n ASN 131 N 5.21 -3.84 -3.84 1.62 4.13 -1.26 -5.01 115.26 112.27 2br5 n ASN 131 Ca 0.25 -0.04 -0.28 0.00 1.68 0.00 0.00 54.58 56.20 2br5 n ASN 131 Cb 0.16 -3.01 -0.16 0.00 -1.54 0.00 0.00 39.78 35.22 2br5 n ASN 131 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2br5 s ILE 132 N -2.64 0.90 -0.15 2.41 1.01 0.85 -1.56 121.20 122.02 2br5 s ILE 132 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 2br5 s ILE 132 Cb -0.01 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 2br5 s ILE 132 CO 0.03 0.03 -0.12 -0.89 0.00 0.00 0.00 174.94 173.99 2br5 s THR 133 N 1.71 2.99 -0.12 2.92 2.01 -0.70 -4.94 115.64 119.51 2br5 s THR 133 Ca 0.00 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 2br5 s THR 133 Cb -0.16 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 2br5 s THR 133 CO -0.07 0.51 0.16 -0.76 -0.69 0.00 0.00 174.62 173.76 2br5 s LEU 134 N 0.64 4.37 -0.07 4.42 2.01 -1.26 -1.94 118.68 126.84 2br5 s LEU 134 Ca -0.07 0.47 0.04 0.00 0.01 0.00 0.00 54.13 54.58 2br5 s LEU 134 Cb -0.15 -2.11 0.00 0.00 0.01 0.00 0.00 46.19 43.94 2br5 s LEU 134 CO 0.03 0.37 -0.19 -1.00 1.01 0.00 0.00 176.35 176.57 2br5 s HIS 135 N -0.83 2.01 0.18 0.29 3.76 -0.71 -4.98 115.29 115.01 2br5 s HIS 135 Ca 0.15 -0.75 -0.17 0.00 -0.15 0.00 0.00 55.06 54.14 2br5 s HIS 135 Cb -0.12 -1.38 -0.08 0.00 1.11 0.00 0.00 32.58 32.11 2br5 s HIS 135 CO 0.04 -0.31 0.64 -1.14 -0.85 0.00 0.00 174.74 173.12 2br5 s GLN 136 N 0.36 4.14 0.00 1.40 0.74 -1.26 -2.89 119.66 122.15 2br5 s GLN 136 Ca -0.14 0.70 0.00 0.00 0.05 0.00 0.00 55.36 55.98 2br5 s GLN 136 Cb -0.16 -2.94 0.00 0.00 1.10 0.00 0.00 33.01 31.01 2br5 s GLN 136 CO 0.06 0.46 0.00 0.41 -0.55 0.00 0.00 175.29 175.66 2br5 n GLY 137 N 0.86 2.41 3.50 2.59 0.00 -1.24 -4.93 105.19 108.39 2br5 n GLY 137 Ca -0.04 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 2br5 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2br5 s ASP 138 N 0.00 3.97 -0.46 1.61 2.15 -1.26 -1.91 116.67 120.78 2br5 s ASP 138 Ca 0.00 -0.51 -0.21 0.00 0.43 0.00 0.00 52.55 52.26 2br5 s ASP 138 Cb 0.00 -0.61 0.03 0.00 -0.30 0.00 0.00 42.92 42.05 2br5 s ASP 138 CO 0.00 0.19 0.68 0.00 -0.17 0.00 0.00 175.17 175.87 2br5 n THR 144 N 5.87 0.00 1.81 0.00 -1.04 -1.26 -4.90 114.28 114.76 2br5 n THR 144 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2br5 n THR 144 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 2br5 n THR 144 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2br5 n PHE 145 N 0.00 0.00 0.00 -1.42 0.99 -1.26 -4.67 117.46 111.10 2br5 n PHE 145 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2br5 n PHE 145 Cb 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.47 2br5 n PHE 145 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2br5 n GLU 146 N -0.45 0.00 -2.31 -1.08 0.00 -1.26 -5.00 120.64 110.53 2br5 n GLU 146 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.01 2br5 n GLU 146 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.45 2br5 n GLU 146 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2br5 n HIS 147 N -1.93 -0.75 -3.82 4.31 -0.00 -1.26 -5.02 115.22 106.75 2br5 n HIS 147 Ca 0.00 0.01 -0.27 0.00 0.46 0.00 0.00 57.72 57.92 2br5 n HIS 147 Cb 0.00 -3.20 -0.17 0.00 -0.12 0.00 0.00 29.99 26.50 2br5 n HIS 147 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2br5 s LEU 148 N -4.44 1.29 0.00 0.27 1.98 -1.26 -4.77 118.68 111.75 2br5 s LEU 148 Ca 0.01 -0.61 0.03 0.00 -2.89 0.00 0.00 54.13 50.67 2br5 s LEU 148 Cb -0.00 -0.72 0.03 0.00 0.66 0.00 0.00 46.19 46.15 2br5 s LEU 148 CO 0.01 -0.23 0.25 0.54 -1.89 0.00 0.00 176.35 175.04 2br5 n ARG 149 N 4.98 0.98 -2.39 1.98 1.74 -1.26 -5.01 116.66 117.67 2br5 n ARG 149 Ca -0.10 -1.29 -0.41 0.00 -0.77 0.00 0.00 57.85 55.28 2br5 n ARG 149 Cb 0.48 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.89 2br5 n ARG 149 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2br5 s GLU 150 N -2.98 4.51 0.18 5.56 2.56 -1.26 -5.03 118.70 122.24 2br5 s GLU 150 Ca 0.19 1.86 0.03 0.00 0.00 0.00 0.00 54.97 57.06 2br5 s GLU 150 Cb -0.02 -3.23 -0.05 0.00 2.00 0.00 0.00 34.13 32.84 2br5 s GLU 150 CO 0.12 -0.04 -0.04 -1.64 -0.56 0.00 0.00 175.26 173.10 2br5 s MET 151 N -0.47 1.15 0.56 4.30 -1.94 -1.26 -5.16 119.30 116.49 2br5 s MET 151 Ca 0.51 -1.54 -0.08 0.00 -1.71 0.00 0.00 55.69 52.88 2br5 s MET 151 Cb -0.33 -0.51 -0.03 0.00 2.01 0.00 0.00 34.83 35.97 2br5 s MET 151 CO 0.38 -0.03 0.91 0.00 -0.01 0.00 0.00 175.02 176.27 2br5 s ALA 152 N -3.45 3.24 0.18 3.03 0.00 -1.26 -5.06 121.76 118.44 2br5 s ALA 152 Ca 0.22 -0.37 0.08 0.00 0.00 0.00 0.00 51.96 51.89 2br5 s ALA 152 Cb 0.05 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2br5 s ALA 152 CO 0.04 -0.60 -0.17 -1.01 0.00 0.00 0.00 175.76 174.02 2br5 s HIS 153 N -2.98 1.81 0.56 0.00 3.76 -1.26 -3.80 115.29 113.37 2br5 s HIS 153 Ca 0.52 -0.49 -0.20 0.00 -0.15 0.00 0.00 55.06 54.73 2br5 s HIS 153 Cb -0.11 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 2br5 s HIS 153 CO 0.49 0.36 1.24 -2.14 -0.85 0.00 0.00 174.74 173.84 2br5 s PRO 154 N -3.07 3.13 -0.08 8.40 0.02 -1.26 -4.50 135.00 137.64 2br5 s PRO 154 Ca 0.18 1.93 0.04 0.00 0.02 0.00 0.00 61.00 63.17 2br5 s PRO 154 Cb -0.04 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2br5 s PRO 154 CO 0.07 -1.11 -0.20 -1.17 -0.33 0.00 0.00 177.00 174.26 2br5 s LEU 155 N -3.76 1.94 -0.13 -5.54 0.20 -1.26 -0.77 118.68 109.35 2br5 s LEU 155 Ca 0.74 -0.46 -0.06 0.00 0.69 0.00 0.00 54.13 55.04 2br5 s LEU 155 Cb -0.33 -1.20 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 2br5 s LEU 155 CO 0.37 0.12 0.07 -0.63 -0.29 0.00 0.00 176.35 176.00 2br5 s ILE 156 N 0.40 4.90 -0.08 6.68 1.01 -0.50 -2.26 121.20 131.34 2br5 s ILE 156 Ca -0.16 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.51 2br5 s ILE 156 Cb -0.17 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2br5 s ILE 156 CO 0.07 0.56 -0.20 0.12 0.00 0.00 0.00 174.94 175.48 2br5 s PHE 157 N -0.47 2.17 -0.18 3.97 5.36 -1.07 -0.82 117.98 126.94 2br5 s PHE 157 Ca 0.10 -0.84 0.01 0.00 -0.96 0.00 0.00 56.93 55.24 2br5 s PHE 157 Cb -0.12 -1.48 0.04 0.00 -0.34 0.00 0.00 43.02 41.12 2br5 s PHE 157 CO 0.02 -0.35 -0.11 0.42 -1.46 0.00 0.00 175.22 173.74 2br5 s ILE 158 N 0.39 1.59 -0.49 3.12 1.01 -0.73 -0.50 121.20 125.59 2br5 s ILE 158 Ca -0.16 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 2br5 s ILE 158 Cb -0.17 -1.62 0.04 0.00 0.01 0.00 0.00 42.46 40.72 2br5 s ILE 158 CO 0.07 0.24 0.78 -0.62 0.00 0.00 0.00 174.94 175.41 2br5 s ASP 159 N 1.44 6.34 0.00 3.58 3.68 0.39 -1.35 116.67 130.74 2br5 s ASP 159 Ca 0.01 -0.39 0.07 0.00 2.13 0.00 0.00 52.55 54.36 2br5 s ASP 159 Cb -0.15 -2.37 0.18 0.00 -1.45 0.00 0.00 42.92 39.12 2br5 s ASP 159 CO -0.09 -0.98 1.11 0.59 0.13 0.00 0.00 175.17 175.93 2br5 n ASN 160 N 6.76 2.46 -3.72 -0.34 3.02 -0.96 -2.67 115.26 119.81 2br5 n ASN 160 Ca -0.00 -1.92 -0.30 0.00 -0.03 0.00 0.00 54.58 52.33 2br5 n ASN 160 Cb 0.47 -0.13 -0.15 0.00 -0.61 0.00 0.00 39.78 39.37 2br5 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br5 s ALA 161 N -0.95 1.53 -0.34 5.41 0.00 -1.24 -4.75 121.76 121.41 2br5 s ALA 161 Ca 0.14 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.40 2br5 s ALA 161 Cb 0.07 -1.63 0.20 0.00 0.00 0.00 0.00 23.12 21.77 2br5 s ALA 161 CO 0.10 -1.68 2.13 0.72 0.00 0.00 0.00 175.76 177.02 2br5 n HIS 162 N 4.81 1.59 -4.26 0.00 8.25 -1.26 -4.78 115.22 119.58 2br5 n HIS 162 Ca -0.02 -2.00 -0.31 0.00 -0.26 0.00 0.00 57.72 55.14 2br5 n HIS 162 Cb 0.42 -1.03 -0.09 0.00 1.12 0.00 0.00 29.99 30.40 2br5 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br5 s ALA 163 N -1.85 3.09 -0.88 -1.41 0.00 -1.26 -4.60 121.76 114.85 2br5 s ALA 163 Ca 0.36 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2br5 s ALA 163 Cb 0.27 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2br5 s ALA 163 CO -0.03 0.66 0.00 -1.71 0.00 0.00 0.00 175.76 174.67 2br5 n ASN 164 N 0.90 -3.31 -0.19 0.00 2.85 -1.26 -4.84 115.26 109.41 2br5 n ASN 164 Ca -0.13 0.25 -0.04 0.00 -0.11 0.00 0.00 54.58 54.55 2br5 n ASN 164 Cb 0.52 -2.87 0.15 0.00 1.24 0.00 0.00 39.78 38.83 2br5 n ASN 164 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 2br5 h THR 165 N 0.00 1.24 0.06 -0.44 2.02 -1.86 -2.82 112.91 111.10 2br5 h THR 165 Ca -0.24 -0.79 -0.25 0.00 0.77 0.00 0.00 66.41 65.90 2br5 h THR 165 Cb 1.13 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2br5 h THR 165 CO 0.28 0.31 -1.08 -0.26 0.37 0.00 0.00 175.52 175.15 2br5 h PHE 166 N 0.94 0.62 -0.52 3.16 -1.00 -1.96 -2.50 116.94 115.68 2br5 h PHE 166 Ca 0.21 -0.38 -0.05 0.00 2.81 0.00 0.00 57.97 60.56 2br5 h PHE 166 Cb 0.24 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 2br5 h PHE 166 CO 0.02 1.23 0.14 -0.91 -1.61 0.00 0.00 178.31 177.18 2br5 h ASN 167 N 0.18 0.78 -0.48 2.17 2.35 -1.96 -2.50 115.58 116.12 2br5 h ASN 167 Ca -0.11 -0.23 0.13 0.00 -0.55 0.00 0.00 56.30 55.54 2br5 h ASN 167 Cb 1.74 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.89 2br5 h ASN 167 CO 0.19 0.80 0.34 0.40 -1.65 0.00 0.00 177.43 177.51 2br5 h ILE 168 N 0.72 0.79 0.10 2.81 2.04 -1.46 -1.47 117.51 121.04 2br5 h ILE 168 Ca 0.16 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2br5 h ILE 168 Cb 0.32 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2br5 h ILE 168 CO -0.00 0.01 -0.05 0.24 0.00 0.00 0.00 178.15 178.36 2br5 h MET 169 N 0.08 -0.13 -0.65 2.37 2.86 -0.98 -1.89 114.93 116.59 2br5 h MET 169 Ca 0.23 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2br5 h MET 169 Cb 0.81 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 2br5 h MET 169 CO -0.02 0.18 0.33 -0.22 1.06 0.00 0.00 176.91 178.25 2br5 h LYS 170 N -0.44 0.92 -0.75 1.72 3.64 -1.36 0.81 116.57 121.10 2br5 h LYS 170 Ca -0.01 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2br5 h LYS 170 Cb 0.37 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2br5 h LYS 170 CO 0.02 0.71 0.39 2.35 -2.27 0.00 0.00 179.45 180.66 2br5 h TRP 171 N 0.89 1.05 -0.36 1.91 7.01 -1.29 0.49 115.95 125.65 2br5 h TRP 171 Ca 0.23 -0.04 -0.17 0.00 2.11 0.00 0.00 58.89 61.02 2br5 h TRP 171 Cb 0.08 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 26.80 2br5 h TRP 171 CO -0.00 0.75 -0.42 0.00 -2.79 0.00 0.00 178.44 175.98 2br5 h ALA 172 N 1.20 0.54 0.00 2.65 0.00 -1.15 -1.30 119.26 121.19 2br5 h ALA 172 Ca 0.26 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2br5 h ALA 172 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2br5 h ALA 172 CO -0.04 0.67 -0.06 0.28 0.00 0.00 0.00 179.25 180.10 2br5 h VAL 173 N 0.73 0.83 0.00 0.00 2.07 -0.21 -0.05 116.25 119.63 2br5 h VAL 173 Ca 0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2br5 h VAL 173 Cb 1.02 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2br5 h VAL 173 CO 0.10 0.06 -1.27 0.47 0.02 0.00 0.00 177.57 176.95 2br5 n ASP 174 N -4.16 0.76 0.00 0.57 8.00 0.11 -4.64 116.55 117.20 2br5 n ASP 174 Ca -0.03 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2br5 n ASP 174 Cb 0.15 1.34 0.00 0.00 -0.02 0.00 0.00 41.12 42.59 2br5 n ASP 174 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2br5 n HIS 175 N -1.73 0.00 0.09 1.24 8.25 -0.51 -5.00 115.22 117.57 2br5 n HIS 175 Ca 0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2br5 n HIS 175 Cb 0.37 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2br5 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br5 n LEU 176 N -0.04 -1.34 -4.67 2.41 0.00 -0.65 -4.99 117.00 107.73 2br5 n LEU 176 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 56.01 55.94 2br5 n LEU 176 Cb 0.46 1.46 -0.03 0.00 0.00 0.00 0.00 43.42 45.31 2br5 n LEU 176 CO 0.00 -0.29 0.75 -0.76 0.00 0.00 0.00 177.39 177.09 2br5 s LEU 177 N -5.85 4.15 0.40 -1.96 1.43 -0.12 -5.04 118.68 111.69 2br5 s LEU 177 Ca 0.00 1.29 0.08 0.00 -1.03 0.00 0.00 54.13 54.46 2br5 s LEU 177 Cb 0.00 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.84 2br5 s LEU 177 CO 0.00 -0.51 0.55 -0.70 0.23 0.00 0.00 176.35 175.92 2br5 s GLU 178 N 2.56 2.89 0.26 1.70 2.12 -1.26 -4.88 118.70 122.09 2br5 s GLU 178 Ca 0.42 -1.19 -0.31 0.00 0.36 0.00 0.00 54.97 54.24 2br5 s GLU 178 Cb -0.16 -2.77 -0.12 0.00 0.26 0.00 0.00 34.13 31.33 2br5 s GLU 178 CO 0.11 -0.20 1.57 -1.91 -0.54 0.00 0.00 175.26 174.28 2br5 n GLU 179 N -1.80 2.50 0.00 4.30 2.13 -1.26 -1.69 120.64 124.82 2br5 n GLU 179 Ca 0.06 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.77 2br5 n GLU 179 Cb 0.59 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.65 2br5 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2br5 n GLY 180 N 2.51 3.30 3.75 8.31 0.00 -1.26 -4.95 105.19 116.85 2br5 n GLY 180 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2br5 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br5 s ASP 181 N -0.56 7.37 0.46 1.61 1.01 -0.68 -4.54 116.67 121.34 2br5 s ASP 181 Ca 0.00 2.13 -0.01 0.00 0.71 0.00 0.00 52.55 55.39 2br5 s ASP 181 Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 2br5 s ASP 181 CO 0.00 -0.09 0.70 -0.31 0.21 0.00 0.00 175.17 175.68 2br5 s TYR 182 N -0.89 3.25 -0.18 4.23 1.51 -0.96 -0.90 117.35 123.41 2br5 s TYR 182 Ca 0.45 0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 56.77 2br5 s TYR 182 Cb -0.30 -2.34 0.09 0.00 -0.11 0.00 0.00 41.96 39.30 2br5 s TYR 182 CO 0.37 -0.38 0.32 0.12 -1.11 0.00 0.00 175.55 174.86 2br5 s PHE 183 N -2.60 -0.57 -0.12 2.71 5.36 -0.34 -2.59 117.98 119.84 2br5 s PHE 183 Ca 0.48 0.94 0.03 0.00 -0.96 0.00 0.00 56.93 57.43 2br5 s PHE 183 Cb -0.10 -0.00 0.01 0.00 -0.34 0.00 0.00 43.02 42.59 2br5 s PHE 183 CO 0.39 -0.50 -0.20 0.42 -1.46 0.00 0.00 175.22 173.87 2br5 s ILE 184 N 2.48 1.85 -0.21 3.12 1.01 0.34 -2.75 121.20 127.04 2br5 s ILE 184 Ca 0.04 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 2br5 s ILE 184 Cb -0.13 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2br5 s ILE 184 CO -0.12 0.51 0.10 -0.63 0.00 0.00 0.00 174.94 174.81 2br5 s ILE 185 N 0.74 4.99 -0.48 2.92 1.01 -0.59 -0.46 121.20 129.33 2br5 s ILE 185 Ca -0.10 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.63 2br5 s ILE 185 Cb -0.16 -3.29 0.13 0.00 0.01 0.00 0.00 42.46 39.15 2br5 s ILE 185 CO 0.01 0.41 0.23 -0.70 0.00 0.00 0.00 174.94 174.89 2br5 s GLU 186 N 0.72 1.76 0.00 2.79 2.12 -1.09 -4.18 118.70 120.83 2br5 s GLU 186 Ca 0.05 -2.40 0.00 0.00 0.36 0.00 0.00 54.97 52.99 2br5 s GLU 186 Cb -0.13 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2br5 s GLU 186 CO 0.02 -1.10 0.00 -0.25 -0.54 0.00 0.00 175.26 173.38 2br5 n ASP 187 N 3.33 0.00 -1.66 -1.70 8.00 -0.89 -4.84 116.55 118.80 2br5 n ASP 187 Ca 0.05 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 2br5 n ASP 187 Cb 0.34 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.67 2br5 n ASP 187 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2br5 n MET 188 N 0.00 2.59 -0.07 -1.24 1.56 -1.26 -4.64 117.12 114.05 2br5 n MET 188 Ca 0.00 -3.07 -0.10 0.00 -0.27 0.00 0.00 57.70 54.26 2br5 n MET 188 Cb 0.00 -2.03 -0.15 0.00 2.15 0.00 0.00 33.22 33.19 2br5 n MET 188 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 2br5 n ILE 189 N -0.80 1.47 -0.11 1.12 0.13 -1.26 -4.12 119.36 115.79 2br5 n ILE 189 Ca 0.42 -0.83 -0.13 0.00 -1.10 0.00 0.00 62.75 61.10 2br5 n ILE 189 Cb 1.30 -0.68 -0.03 0.00 -0.84 0.00 0.00 39.64 39.39 2br5 n ILE 189 CO 0.00 0.00 0.00 -0.65 2.80 0.00 0.00 176.55 178.70 2br5 h PRO 190 N 0.00 0.82 0.00 9.51 0.11 -1.96 -3.48 132.00 137.00 2br5 h PRO 190 Ca -0.45 -0.43 0.00 0.00 0.11 0.00 0.00 66.00 65.23 2br5 h PRO 190 Cb 2.16 0.01 0.00 0.00 0.11 0.00 0.00 31.00 33.28 2br5 h PRO 190 CO 0.05 1.06 0.00 0.66 -0.21 0.00 0.00 178.00 179.56 2br5 n TYR 191 N -4.17 0.00 0.00 0.65 0.53 -1.26 -5.19 117.16 107.72 2br5 n TYR 191 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.85 2br5 n TYR 191 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.81 2br5 n TYR 191 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br5 n ALA 206 N -0.54 0.00 -1.98 -0.72 0.00 -1.26 -5.16 120.51 110.85 2br5 n ALA 206 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2br5 n ALA 206 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2br5 n ALA 206 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2br5 n PHE 207 N 0.00 0.00 0.00 0.00 3.01 -1.26 -5.01 117.46 114.20 2br5 n PHE 207 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2br5 n PHE 207 Cb 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 2br5 n PHE 207 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2br5 n ARG 208 N 0.00 0.00 -0.01 -1.08 1.85 -1.26 -3.34 116.66 112.82 2br5 n ARG 208 Ca 0.00 0.42 -0.21 0.00 -1.00 0.00 0.00 57.85 57.05 2br5 n ARG 208 Cb 0.65 -1.53 -0.13 0.00 -1.05 0.00 0.00 32.46 30.39 2br5 n ARG 208 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2br5 h ASP 209 N 0.00 0.31 0.00 2.89 5.19 -2.04 -3.41 116.42 119.36 2br5 h ASP 209 Ca 0.00 -0.82 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 2br5 h ASP 209 Cb 0.07 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2br5 h ASP 209 CO 0.00 1.60 0.00 1.33 -3.12 0.00 0.00 179.24 179.05 2br5 n VAL 210 N -3.98 0.86 -4.46 -1.35 0.24 -1.22 -5.04 118.33 103.39 2br5 n VAL 210 Ca -0.26 -0.90 -0.24 0.00 -2.04 0.00 0.00 64.34 60.90 2br5 n VAL 210 Cb 0.87 0.57 -0.08 0.00 -1.47 0.00 0.00 33.84 33.73 2br5 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br5 s LEU 211 N -0.86 1.92 -0.14 1.34 1.43 -1.21 -4.70 118.68 116.46 2br5 s LEU 211 Ca 0.00 -1.66 -0.30 0.00 -1.03 0.00 0.00 54.13 51.13 2br5 s LEU 211 Cb 0.00 0.02 0.12 0.00 0.03 0.00 0.00 46.19 46.36 2br5 s LEU 211 CO 0.00 -0.94 0.97 -0.55 0.23 0.00 0.00 176.35 176.07 2br5 s SER 212 N -3.54 -0.38 -0.17 2.29 0.15 -0.83 -4.74 113.70 106.47 2br5 s SER 212 Ca 0.28 0.38 -0.19 0.00 0.70 0.00 0.00 55.95 57.12 2br5 s SER 212 Cb 0.03 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2br5 s SER 212 CO 0.17 -0.38 0.51 -0.32 1.20 0.00 0.00 173.24 174.42 2br5 s MET 213 N -1.31 4.24 -0.48 5.44 1.75 -1.26 -1.11 119.30 126.57 2br5 s MET 213 Ca -0.01 0.44 -0.26 0.00 -1.25 0.00 0.00 55.69 54.61 2br5 s MET 213 Cb -0.00 -3.52 0.03 0.00 2.84 0.00 0.00 34.83 34.17 2br5 s MET 213 CO 0.01 -0.06 0.95 0.34 -0.65 0.00 0.00 175.02 175.61 2br5 s ASP 214 N 1.00 6.49 0.07 1.11 -1.08 -0.91 -4.92 116.67 118.42 2br5 s ASP 214 Ca 0.25 0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.63 2br5 s ASP 214 Cb -0.15 -2.46 1.03 0.00 -1.46 0.00 0.00 42.92 39.88 2br5 s ASP 214 CO 0.10 -1.10 1.82 0.23 0.52 0.00 0.00 175.17 176.73 2br5 n MET 215 N 7.30 0.08 0.11 4.34 2.81 -1.26 -1.80 117.12 128.70 2br5 n MET 215 Ca 0.06 0.11 -0.04 0.00 -1.81 0.00 0.00 57.70 56.03 2br5 n MET 215 Cb 0.48 -1.60 0.11 0.00 -0.71 0.00 0.00 33.22 31.50 2br5 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2br5 h LEU 216 N 0.00 0.13 0.00 4.03 5.85 -1.98 -3.35 115.31 119.99 2br5 h LEU 216 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2br5 h LEU 216 Cb 0.52 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2br5 h LEU 216 CO 0.00 0.77 -0.68 -1.22 -0.34 0.00 0.00 178.44 176.96 2br5 n TYR 217 N -3.78 0.00 -0.11 1.25 4.02 -1.13 -4.51 117.16 112.90 2br5 n TYR 217 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.78 2br5 n TYR 217 Cb 0.66 -0.06 -0.01 0.00 -0.02 0.00 0.00 39.34 39.92 2br5 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2br5 h ALA 218 N 0.74 0.45 0.00 -0.72 0.00 -1.49 -3.11 119.26 115.13 2br5 h ALA 218 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2br5 h ALA 218 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2br5 h ALA 218 CO 0.00 -0.04 -0.81 -0.91 0.00 0.00 0.00 179.25 177.48 2br5 h ASN 219 N 0.45 0.00 0.15 0.00 2.35 -1.75 -3.37 115.58 113.41 2br5 h ASN 219 Ca 0.13 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2br5 h ASN 219 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2br5 h ASN 219 CO -0.02 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 2br5 n ALA 220 N -2.07 1.56 -3.57 -0.83 0.00 -1.17 -4.66 120.51 109.76 2br5 n ALA 220 Ca 0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 2br5 n ALA 220 Cb 0.52 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 2br5 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2br5 s SER 221 N -2.56 -0.69 0.21 0.00 0.15 -1.26 -4.89 113.70 104.66 2br5 s SER 221 Ca 0.08 1.12 -0.06 0.00 0.70 0.00 0.00 55.95 57.79 2br5 s SER 221 Cb 0.05 1.07 0.17 0.00 -1.71 0.00 0.00 66.02 65.61 2br5 s SER 221 CO 0.12 -0.39 1.68 0.77 1.20 0.00 0.00 173.24 176.62 2br5 h SER 222 N 4.23 0.92 0.18 5.45 4.64 -1.92 -3.03 113.55 124.02 2br5 h SER 222 Ca -0.28 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 60.71 2br5 h SER 222 Cb 1.15 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 2br5 h SER 222 CO 0.19 1.00 -0.25 -0.61 -0.87 0.00 0.00 176.83 176.30 2br5 h GLN 223 N 0.85 0.12 -0.94 4.77 4.15 -1.97 -2.40 115.11 119.69 2br5 h GLN 223 Ca 0.15 -0.04 -0.51 0.00 0.77 0.00 0.00 58.65 59.02 2br5 h GLN 223 Cb 0.56 -0.01 -0.29 0.00 0.21 0.00 0.00 27.48 27.95 2br5 h GLN 223 CO 0.03 0.37 0.61 1.28 -1.93 0.00 0.00 178.83 179.19 2br5 n LEU 224 N -4.20 6.64 -0.30 -2.39 4.77 -1.15 -2.09 117.00 118.28 2br5 n LEU 224 Ca -0.01 -3.73 -0.08 0.00 -0.03 0.00 0.00 56.01 52.15 2br5 n LEU 224 Cb 0.33 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 2br5 n LEU 224 CO 0.38 1.14 0.45 -0.67 -1.33 0.00 0.00 177.39 177.37 2br5 n ASP 225 N -1.11 -0.77 -0.63 -1.43 -0.08 -0.91 -2.02 116.55 109.60 2br5 n ASP 225 Ca 0.58 1.50 0.05 0.00 -1.51 0.00 0.00 54.79 55.41 2br5 n ASP 225 Cb 1.48 -0.27 0.09 0.00 2.34 0.00 0.00 41.12 44.75 2br5 n ASP 225 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2br5 n ARG 226 N -4.67 0.70 0.00 -0.67 1.74 -1.26 -4.09 116.66 108.42 2br5 n ARG 226 Ca 0.01 -2.17 0.13 0.00 -0.77 0.00 0.00 57.85 55.05 2br5 n ARG 226 Cb 0.19 -0.91 0.26 0.00 -1.02 0.00 0.00 32.46 30.98 2br5 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br5 n GLY 227 N -0.53 -0.01 3.54 -0.13 0.00 -0.86 -4.88 105.19 102.32 2br5 n GLY 227 Ca 0.10 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2br5 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br5 s VAL 228 N -2.29 5.01 -0.08 1.61 1.01 -1.26 -1.54 120.40 122.85 2br5 s VAL 228 Ca 0.26 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 2br5 s VAL 228 Cb 0.19 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2br5 s VAL 228 CO 0.45 -0.30 0.09 -1.48 0.00 0.00 0.00 175.10 173.87 2br5 s LEU 229 N 2.40 0.14 0.00 3.92 2.34 -1.11 -2.15 118.68 124.22 2br5 s LEU 229 Ca 0.18 -0.04 0.05 0.00 0.06 0.00 0.00 54.13 54.37 2br5 s LEU 229 Cb -0.16 -0.07 0.05 0.00 -0.56 0.00 0.00 46.19 45.45 2br5 s LEU 229 CO 0.14 -0.27 0.39 -2.11 -1.06 0.00 0.00 176.35 173.44 2br5 n ARG 230 N 5.30 0.85 -0.16 1.48 1.85 -0.27 -1.19 116.66 124.52 2br5 n ARG 230 Ca -0.04 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 54.99 2br5 n ARG 230 Cb 0.50 -0.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.87 2br5 n ARG 230 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51