#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3da8 s LEU 5 N 0.00 4.34 -0.16 1.53 1.98 -1.12 -4.92 118.68 120.33 3da8 s LEU 5 Ca 0.00 1.91 -0.00 0.00 -2.89 0.00 0.00 54.13 53.15 3da8 s LEU 5 Cb 0.00 -3.57 0.04 0.00 0.66 0.00 0.00 46.19 43.32 3da8 s LEU 5 CO 0.00 -0.49 -0.07 -0.13 -1.89 0.00 0.00 176.35 173.77 3da8 s ARG 6 N 1.47 1.55 -0.26 1.98 0.52 -1.26 -1.32 118.95 121.61 3da8 s ARG 6 Ca 0.57 -0.49 -0.03 0.00 -0.52 0.00 0.00 55.73 55.27 3da8 s ARG 6 Cb -0.27 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.28 3da8 s ARG 6 CO 0.27 -0.38 -0.03 0.08 0.02 0.00 0.00 175.30 175.25 3da8 s VAL 7 N 1.62 3.08 0.78 3.52 1.01 0.28 -5.01 120.40 125.69 3da8 s VAL 7 Ca 0.02 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 3da8 s VAL 7 Cb -0.15 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.69 3da8 s VAL 7 CO -0.08 0.13 1.08 -2.16 0.00 0.00 0.00 175.10 174.07 3da8 s PRO 8 N 1.34 2.20 0.59 2.72 0.04 -1.26 -1.04 135.00 139.59 3da8 s PRO 8 Ca -0.00 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 61.69 3da8 s PRO 8 Cb -0.17 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 3da8 s PRO 8 CO -0.03 -1.59 0.83 -2.30 0.04 0.00 0.00 177.00 173.95 3da8 n PRO 9 N -3.44 0.78 0.00 0.56 -0.02 -1.26 -4.44 135.00 127.18 3da8 n PRO 9 Ca 0.07 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3da8 n PRO 9 Cb 0.55 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3da8 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3da8 n SER 10 N -0.35 0.33 -4.70 2.55 3.41 0.41 -4.93 113.62 110.35 3da8 n SER 10 Ca 0.13 -0.96 -0.44 0.00 -0.26 0.00 0.00 58.87 57.35 3da8 n SER 10 Cb 0.47 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 3da8 n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3da8 n ALA 11 N -0.02 1.99 -2.33 7.33 0.00 -0.43 -2.60 120.51 124.44 3da8 n ALA 11 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 3da8 n ALA 11 Cb 0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.17 3da8 n ALA 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3da8 s PRO 12 N 0.41 4.11 0.15 0.00 0.04 -1.26 -5.03 135.00 133.42 3da8 s PRO 12 Ca 0.72 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 3da8 s PRO 12 Cb -0.58 -3.85 -0.06 0.00 0.04 0.00 0.00 34.50 30.05 3da8 s PRO 12 CO 0.41 -0.88 0.40 0.00 0.04 0.00 0.00 177.00 176.97 3da8 s ALA 13 N 3.94 3.75 -0.26 8.56 0.00 0.05 -4.94 121.76 132.87 3da8 s ALA 13 Ca 0.59 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 3da8 s ALA 13 Cb -0.23 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 3da8 s ALA 13 CO 0.20 0.64 0.17 1.03 0.00 0.00 0.00 175.76 177.80 3da8 s ARG 14 N -2.61 4.01 -0.13 0.00 0.52 -1.26 -1.42 118.95 118.06 3da8 s ARG 14 Ca 0.41 -0.30 -0.01 0.00 -0.52 0.00 0.00 55.73 55.32 3da8 s ARG 14 Cb -0.12 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 3da8 s ARG 14 CO 0.23 -0.06 -0.10 -1.17 0.02 0.00 0.00 175.30 174.23 3da8 s LEU 15 N 1.41 2.91 -0.13 2.53 2.96 0.08 -0.17 118.68 128.26 3da8 s LEU 15 Ca 0.07 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3da8 s LEU 15 Cb -0.15 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 3da8 s LEU 15 CO 0.08 0.19 0.00 -0.69 -1.32 0.00 0.00 176.35 174.61 3da8 s VAL 16 N 0.21 4.31 -0.19 1.68 1.01 -0.59 -0.65 120.40 126.17 3da8 s VAL 16 Ca -0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3da8 s VAL 16 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3da8 s VAL 16 CO 0.04 0.54 0.00 -0.69 0.00 0.00 0.00 175.10 174.99 3da8 s VAL 17 N -0.20 4.10 -0.19 2.92 1.01 -0.82 -1.13 120.40 126.08 3da8 s VAL 17 Ca 0.05 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 3da8 s VAL 17 Cb -0.12 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3da8 s VAL 17 CO 0.02 0.45 0.09 -0.76 0.00 0.00 0.00 175.10 174.90 3da8 s LEU 18 N 0.74 3.95 0.03 3.92 1.43 0.31 -0.62 118.68 128.44 3da8 s LEU 18 Ca 0.00 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 3da8 s LEU 18 Cb -0.14 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3da8 s LEU 18 CO 0.02 0.16 0.04 0.00 0.23 0.00 0.00 176.35 176.80 3da8 s ALA 19 N 0.47 0.07 0.00 4.21 0.00 0.35 -3.33 121.76 123.53 3da8 s ALA 19 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3da8 s ALA 19 Cb -0.12 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3da8 s ALA 19 CO -0.00 -0.27 0.08 0.43 0.00 0.00 0.00 175.76 176.00 3da8 n SER 20 N 0.94 0.17 0.00 0.00 7.64 -0.37 -3.69 113.62 118.31 3da8 n SER 20 Ca -0.20 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 58.99 3da8 n SER 20 Cb 0.58 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 3da8 n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3da8 n GLY 21 N 0.09 5.46 0.07 0.23 0.00 -1.25 -4.79 105.19 105.00 3da8 n GLY 21 Ca 0.00 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.94 3da8 n GLY 21 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3da8 n THR 22 N 0.00 0.55 -1.33 2.61 -2.24 -1.26 -1.47 114.28 111.14 3da8 n THR 22 Ca 0.00 -0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 3da8 n THR 22 Cb 0.00 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.46 3da8 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3da8 n GLY 23 N 0.92 0.93 0.34 3.38 0.00 -1.26 -4.07 105.19 105.44 3da8 n GLY 23 Ca 0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 3da8 n GLY 23 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3da8 h SER 24 N 0.00 1.08 -0.57 1.61 0.87 -1.98 -0.90 113.55 113.65 3da8 h SER 24 Ca -0.17 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.15 3da8 h SER 24 Cb 0.60 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3da8 h SER 24 CO 0.25 0.95 0.06 0.25 -0.53 0.00 0.00 176.83 177.81 3da8 h LEU 25 N 1.14 0.94 -0.90 2.23 5.85 -1.98 -2.68 115.31 119.90 3da8 h LEU 25 Ca 0.26 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3da8 h LEU 25 Cb 0.21 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 3da8 h LEU 25 CO -0.02 0.98 0.55 0.25 -0.34 0.00 0.00 178.44 179.86 3da8 h LEU 26 N 0.86 0.84 -0.57 2.25 5.85 -1.83 -1.10 115.31 121.62 3da8 h LEU 26 Ca 0.17 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.01 3da8 h LEU 26 Cb 0.46 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 3da8 h LEU 26 CO 0.02 0.51 0.19 0.03 -0.34 0.00 0.00 178.44 178.84 3da8 h ARG 27 N 0.96 0.34 -0.35 1.25 3.08 -0.84 0.98 114.38 119.81 3da8 h ARG 27 Ca 0.41 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.31 3da8 h ARG 27 Cb 0.28 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3da8 h ARG 27 CO -0.21 0.23 -0.31 0.77 -1.07 0.00 0.00 179.97 179.38 3da8 h SER 28 N 0.35 0.78 -0.42 7.04 0.02 -1.16 -1.77 113.55 118.39 3da8 h SER 28 Ca 0.29 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3da8 h SER 28 Cb 0.37 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3da8 h SER 28 CO -0.31 1.03 0.10 -0.07 -1.14 0.00 0.00 176.83 176.43 3da8 h LEU 29 N 0.64 0.65 -0.79 5.07 3.38 -0.68 -1.60 115.31 121.98 3da8 h LEU 29 Ca 0.07 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3da8 h LEU 29 Cb 0.83 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3da8 h LEU 29 CO 0.07 0.72 0.34 -0.07 0.09 0.00 0.00 178.44 179.59 3da8 h LEU 30 N 0.55 1.07 -0.96 1.67 3.38 -0.73 0.17 115.31 120.46 3da8 h LEU 30 Ca 0.13 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3da8 h LEU 30 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3da8 h LEU 30 CO 0.00 0.93 0.08 -0.78 0.09 0.00 0.00 178.44 178.77 3da8 h ASP 31 N 1.13 0.79 0.73 -0.43 3.58 -1.20 -3.17 116.42 117.85 3da8 h ASP 31 Ca 0.27 -0.16 -0.26 0.00 0.42 0.00 0.00 57.03 57.30 3da8 h ASP 31 Cb 0.18 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 3da8 h ASP 31 CO -0.03 0.81 -1.17 0.00 -2.88 0.00 0.00 179.24 175.97 3da8 h ALA 32 N 1.29 0.17 -0.49 -0.78 0.00 -0.85 -3.40 119.26 115.20 3da8 h ALA 32 Ca 0.17 -0.89 -0.72 0.00 0.00 0.00 0.00 54.91 53.46 3da8 h ALA 32 Cb 0.37 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 3da8 h ALA 32 CO 0.01 1.05 2.77 0.00 0.00 0.00 0.00 179.25 183.07 3da8 n ALA 33 N -2.48 6.82 -2.15 0.00 0.00 0.01 -4.64 120.51 118.07 3da8 n ALA 33 Ca -0.06 -3.96 -0.09 0.00 0.00 0.00 0.00 53.44 49.32 3da8 n ALA 33 Cb 1.00 -2.97 -0.10 0.00 0.00 0.00 0.00 19.45 17.38 3da8 n ALA 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3da8 s VAL 34 N -0.02 0.24 0.00 0.00 -7.23 -1.26 -4.61 120.40 107.51 3da8 s VAL 34 Ca 0.56 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3da8 s VAL 34 Cb 0.17 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 35.23 3da8 s VAL 34 CO -0.08 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.68 3da8 n GLY 35 N -0.05 3.63 0.47 2.32 0.00 -1.26 -2.24 105.19 108.05 3da8 n GLY 35 Ca -0.08 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.94 3da8 n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3da8 n ASP 36 N 5.37 1.40 -4.73 1.61 8.00 -1.26 -4.86 116.55 122.08 3da8 n ASP 36 Ca 0.00 -1.70 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 3da8 n ASP 36 Cb 0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 3da8 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3da8 n TYR 37 N 0.16 2.64 0.67 1.24 9.36 -0.95 -4.86 117.16 125.42 3da8 n TYR 37 Ca 0.15 0.42 -0.01 0.00 3.32 0.00 0.00 57.90 61.78 3da8 n TYR 37 Cb 0.28 -2.51 0.05 0.00 -0.63 0.00 0.00 39.34 36.53 3da8 n TYR 37 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3da8 n PRO 38 N 1.18 1.47 -3.73 2.98 -0.04 -1.26 -4.74 135.00 130.86 3da8 n PRO 38 Ca 0.06 -0.51 -0.10 0.00 -0.04 0.00 0.00 63.50 62.91 3da8 n PRO 38 Cb 0.36 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 3da8 n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3da8 s ALA 39 N -1.00 -0.78 0.01 0.55 0.00 -1.26 -0.77 121.76 118.51 3da8 s ALA 39 Ca 0.09 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3da8 s ALA 39 Cb 0.07 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 3da8 s ALA 39 CO 0.02 -0.71 -0.09 1.03 0.00 0.00 0.00 175.76 176.01 3da8 s ARG 40 N -3.86 0.66 -0.47 0.00 1.81 -0.51 -4.45 118.95 112.13 3da8 s ARG 40 Ca 0.08 -0.45 -0.29 0.00 -1.72 0.00 0.00 55.73 53.35 3da8 s ARG 40 Cb 0.01 -0.60 0.03 0.00 -0.45 0.00 0.00 34.95 33.93 3da8 s ARG 40 CO -0.06 0.16 1.19 0.08 -0.68 0.00 0.00 175.30 175.98 3da8 s VAL 41 N -0.51 4.15 -0.17 3.52 1.01 -1.26 -0.74 120.40 126.40 3da8 s VAL 41 Ca 0.00 1.17 0.22 0.00 0.00 0.00 0.00 61.98 63.38 3da8 s VAL 41 Cb -0.05 -4.53 -0.11 0.00 0.00 0.00 0.00 36.38 31.68 3da8 s VAL 41 CO 0.00 -0.97 0.85 1.33 0.00 0.00 0.00 175.10 176.32 3da8 n VAL 42 N 6.89 0.43 -3.54 2.92 0.24 0.18 -4.93 118.33 120.52 3da8 n VAL 42 Ca 0.13 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 61.77 3da8 n VAL 42 Cb 0.49 -0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 32.58 3da8 n VAL 42 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3da8 s ALA 43 N -3.41 -1.85 -0.11 2.33 0.00 -1.24 -4.24 121.76 113.25 3da8 s ALA 43 Ca -0.03 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.28 3da8 s ALA 43 Cb 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3da8 s ALA 43 CO 0.83 -0.44 -0.20 0.08 0.00 0.00 0.00 175.76 176.02 3da8 s VAL 44 N -1.77 1.86 -0.12 0.00 1.01 -0.33 -1.95 120.40 119.10 3da8 s VAL 44 Ca -0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3da8 s VAL 44 Cb -0.01 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3da8 s VAL 44 CO 0.00 0.51 -0.01 -0.83 0.00 0.00 0.00 175.10 174.77 3da8 s GLY 45 N 0.64 1.80 0.16 4.51 0.00 0.20 -1.09 107.32 113.55 3da8 s GLY 45 Ca -0.12 -0.81 0.06 0.00 0.00 0.00 0.00 44.72 43.84 3da8 s GLY 45 CO 0.03 -0.34 -0.12 -1.34 0.00 0.00 0.00 173.10 171.33 3da8 s VAL 46 N -0.32 1.36 -0.58 1.40 -7.23 0.06 -0.49 120.40 114.60 3da8 s VAL 46 Ca 0.06 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 3da8 s VAL 46 Cb -0.12 -1.87 0.16 0.00 0.56 0.00 0.00 36.38 35.11 3da8 s VAL 46 CO 0.02 -0.66 1.09 -0.90 -0.31 0.00 0.00 175.10 174.34 3da8 n ASP 47 N -0.16 2.41 -3.60 4.85 5.75 -1.24 -1.18 116.55 123.38 3da8 n ASP 47 Ca -0.10 -1.90 -0.06 0.00 -0.01 0.00 0.00 54.79 52.71 3da8 n ASP 47 Cb 0.60 -0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 3da8 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3da8 s ARG 48 N -0.94 0.91 0.17 0.11 1.70 -1.26 -4.40 118.95 115.24 3da8 s ARG 48 Ca 0.13 -0.41 -0.31 0.00 -0.47 0.00 0.00 55.73 54.66 3da8 s ARG 48 Cb 0.07 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.72 3da8 s ARG 48 CO 0.09 -0.41 1.48 -1.21 -1.08 0.00 0.00 175.30 174.17 3da8 s GLU 49 N -3.12 4.26 0.16 3.89 2.02 -1.26 -4.94 118.70 119.71 3da8 s GLU 49 Ca 0.08 2.25 -0.24 0.00 0.02 0.00 0.00 54.97 57.09 3da8 s GLU 49 Cb -0.01 -3.17 0.06 0.00 0.10 0.00 0.00 34.13 31.11 3da8 s GLU 49 CO -0.05 -0.50 0.71 0.00 0.02 0.00 0.00 175.26 175.44 3da8 h ARG 51 N 2.00 0.00 -0.97 0.00 9.65 -1.81 -2.51 114.38 120.73 3da8 h ARG 51 Ca -0.27 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.69 3da8 h ARG 51 Cb 1.28 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.79 3da8 h ARG 51 CO 0.32 0.23 0.63 0.00 2.80 0.00 0.00 179.97 183.95 3da8 h ALA 52 N 1.77 1.48 -0.69 2.80 0.00 -1.40 0.30 119.26 123.51 3da8 h ALA 52 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3da8 h ALA 52 Cb 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3da8 h ALA 52 CO 0.03 0.35 0.26 0.00 0.00 0.00 0.00 179.25 179.89 3da8 h ALA 53 N 1.50 1.17 -0.35 0.00 0.00 -1.74 -1.09 119.26 118.74 3da8 h ALA 53 Ca 0.44 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3da8 h ALA 53 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3da8 h ALA 53 CO -0.19 0.60 -0.20 0.93 0.00 0.00 0.00 179.25 180.39 3da8 h GLU 54 N 1.00 0.76 -0.60 0.00 5.08 -1.18 -1.69 114.58 117.95 3da8 h GLU 54 Ca 0.23 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3da8 h GLU 54 Cb 0.21 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3da8 h GLU 54 CO -0.02 0.96 0.36 0.82 -1.00 0.00 0.00 179.01 180.14 3da8 h ILE 55 N 0.54 1.18 -0.05 3.13 2.04 -0.75 -0.22 117.51 123.37 3da8 h ILE 55 Ca 0.07 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3da8 h ILE 55 Cb 0.75 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3da8 h ILE 55 CO 0.06 0.18 0.03 0.00 0.00 0.00 0.00 178.15 178.42 3da8 h ALA 56 N 1.18 0.06 -0.68 1.87 0.00 -1.12 -2.35 119.26 118.22 3da8 h ALA 56 Ca 0.22 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3da8 h ALA 56 Cb -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3da8 h ALA 56 CO -0.04 -0.45 0.34 0.00 0.00 0.00 0.00 179.25 179.11 3da8 h ALA 57 N 1.02 1.32 0.00 0.00 0.00 -1.04 -1.00 119.26 119.57 3da8 h ALA 57 Ca 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3da8 h ALA 57 Cb -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3da8 h ALA 57 CO -0.01 0.54 -0.17 0.93 0.00 0.00 0.00 179.25 180.54 3da8 h GLU 58 N 0.96 0.00 -0.46 0.00 5.08 -0.82 -1.78 114.58 117.57 3da8 h GLU 58 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3da8 h GLU 58 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3da8 h GLU 58 CO -0.03 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 3da8 n ALA 59 N -2.39 2.43 -3.21 3.43 0.00 -0.49 -4.93 120.51 115.35 3da8 n ALA 59 Ca -0.02 -0.82 -0.23 0.00 0.00 0.00 0.00 53.44 52.36 3da8 n ALA 59 Cb 0.26 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.78 3da8 n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3da8 n SER 60 N 0.88 -6.00 -4.69 0.00 7.64 -0.67 -5.00 113.62 105.78 3da8 n SER 60 Ca 0.16 -0.37 -0.35 0.00 1.01 0.00 0.00 58.87 59.32 3da8 n SER 60 Cb 0.41 -4.82 -0.09 0.00 -1.01 0.00 0.00 64.21 58.70 3da8 n SER 60 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3da8 s VAL 61 N -3.20 5.05 0.40 0.44 1.01 -0.52 -5.03 120.40 118.55 3da8 s VAL 61 Ca 0.39 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 3da8 s VAL 61 Cb -0.18 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 3da8 s VAL 61 CO 0.48 0.47 1.40 -2.65 0.00 0.00 0.00 175.10 174.80 3da8 n PRO 62 N 3.38 2.33 -5.22 2.72 -0.02 -1.26 -3.98 135.00 132.95 3da8 n PRO 62 Ca -0.17 0.82 -0.32 0.00 -2.02 0.00 0.00 63.50 61.82 3da8 n PRO 62 Cb 0.52 -2.55 -0.17 0.00 -0.02 0.00 0.00 33.50 31.29 3da8 n PRO 62 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3da8 s VAL 63 N -1.15 2.13 0.13 -1.45 1.01 -1.26 -1.18 120.40 118.62 3da8 s VAL 63 Ca 0.57 -1.02 0.10 0.00 0.00 0.00 0.00 61.98 61.64 3da8 s VAL 63 Cb -0.49 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3da8 s VAL 63 CO 0.61 0.56 -0.24 0.72 0.00 0.00 0.00 175.10 176.75 3da8 s PHE 64 N 0.06 2.39 -0.10 5.22 -0.12 -0.25 -4.98 117.98 120.19 3da8 s PHE 64 Ca -0.10 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.45 3da8 s PHE 64 Cb -0.16 -1.28 0.02 0.00 -0.63 0.00 0.00 43.02 40.97 3da8 s PHE 64 CO 0.06 0.36 -0.14 0.99 -0.05 0.00 0.00 175.22 176.44 3da8 s THR 65 N -1.10 1.38 -0.35 -4.49 2.01 -1.26 -0.76 115.64 111.06 3da8 s THR 65 Ca 0.15 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 3da8 s THR 65 Cb -0.10 -1.27 0.11 0.00 0.01 0.00 0.00 72.50 71.25 3da8 s THR 65 CO 0.07 0.42 0.15 -0.69 -0.69 0.00 0.00 174.62 173.88 3da8 s VAL 66 N 1.02 0.86 0.02 3.82 1.01 -0.32 -4.98 120.40 121.84 3da8 s VAL 66 Ca -0.06 -1.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 3da8 s VAL 66 Cb -0.15 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 3da8 s VAL 66 CO -0.02 -0.78 0.62 -0.13 0.00 0.00 0.00 175.10 174.79 3da8 s ARG 67 N 1.24 4.32 0.27 2.72 0.52 -1.26 -4.40 118.95 122.37 3da8 s ARG 67 Ca 0.13 0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 56.12 3da8 s ARG 67 Cb -0.20 -3.32 0.46 0.00 0.52 0.00 0.00 34.95 32.41 3da8 s ARG 67 CO -0.16 0.43 1.87 1.25 0.02 0.00 0.00 175.30 178.71 3da8 h LEU 68 N 5.35 1.00 -2.74 2.53 5.85 -1.96 -2.00 115.31 123.35 3da8 h LEU 68 Ca -0.46 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3da8 h LEU 68 Cb 1.20 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 3da8 h LEU 68 CO 0.68 0.62 -0.01 0.00 -0.34 0.00 0.00 178.44 179.39 3da8 h ALA 69 N 1.48 1.08 -0.16 1.25 0.00 -1.93 -1.93 119.26 119.06 3da8 h ALA 69 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3da8 h ALA 69 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3da8 h ALA 69 CO -0.19 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 178.82 3da8 n ASP 70 N -3.21 1.33 -4.27 0.00 8.00 -0.75 -4.89 116.55 112.76 3da8 n ASP 70 Ca -0.03 -1.71 -0.18 0.00 0.71 0.00 0.00 54.79 53.59 3da8 n ASP 70 Cb 0.10 -0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 3da8 n ASP 70 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3da8 s HIS 71 N -1.80 1.46 -0.42 1.24 3.76 -0.73 -5.05 115.29 113.76 3da8 s HIS 71 Ca 0.29 -0.59 0.26 0.00 -0.15 0.00 0.00 55.06 54.87 3da8 s HIS 71 Cb 0.15 -0.74 0.84 0.00 1.11 0.00 0.00 32.58 33.94 3da8 s HIS 71 CO 0.23 0.19 1.76 -1.00 -0.85 0.00 0.00 174.74 175.07 3da8 h PRO 72 N 3.18 0.00 -3.23 8.40 0.13 -1.90 -3.47 132.00 135.12 3da8 h PRO 72 Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3da8 h PRO 72 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 3da8 h PRO 72 CO 0.55 0.00 0.09 -1.54 -0.23 0.00 0.00 178.00 176.87 3da8 s SER 73 N -5.18 -0.27 0.40 1.44 1.04 -1.26 -5.03 113.70 104.84 3da8 s SER 73 Ca 0.06 -0.51 0.13 0.00 0.48 0.00 0.00 55.95 56.11 3da8 s SER 73 Cb 0.09 0.62 0.83 0.00 0.10 0.00 0.00 66.02 67.67 3da8 s SER 73 CO 0.56 -1.13 1.90 0.08 0.98 0.00 0.00 173.24 175.63 3da8 h ARG 74 N 2.13 0.03 -0.45 4.02 0.11 -1.92 -1.62 114.38 116.68 3da8 h ARG 74 Ca -0.26 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.74 3da8 h ARG 74 Cb 1.26 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.32 3da8 h ARG 74 CO 0.33 0.30 0.01 -0.44 0.10 0.00 0.00 179.97 180.28 3da8 h ASP 75 N 0.03 0.76 -0.48 0.08 3.32 -1.99 -0.23 116.42 117.92 3da8 h ASP 75 Ca 0.00 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 3da8 h ASP 75 Cb 0.50 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3da8 h ASP 75 CO 0.04 0.88 0.21 0.00 -1.72 0.00 0.00 179.24 178.64 3da8 h ALA 76 N 0.92 0.62 -0.75 3.45 0.00 -1.90 -1.72 119.26 119.87 3da8 h ALA 76 Ca 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3da8 h ALA 76 Cb 0.48 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3da8 h ALA 76 CO 0.02 0.20 0.50 2.35 0.00 0.00 0.00 179.25 182.32 3da8 h TRP 77 N 0.63 0.95 -0.32 0.00 7.01 -1.15 -1.75 115.95 121.31 3da8 h TRP 77 Ca 0.16 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.22 3da8 h TRP 77 Cb 0.16 -0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 26.86 3da8 h TRP 77 CO -0.00 0.60 0.09 0.22 -2.79 0.00 0.00 178.44 176.56 3da8 h ASP 78 N 1.02 0.07 -0.59 2.65 3.58 -0.71 0.60 116.42 123.04 3da8 h ASP 78 Ca 0.28 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.79 3da8 h ASP 78 Cb -0.12 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 3da8 h ASP 78 CO -0.06 0.08 0.37 0.58 -2.88 0.00 0.00 179.24 177.33 3da8 h VAL 79 N 0.22 1.09 -0.31 2.25 2.07 -1.05 -1.18 116.25 119.33 3da8 h VAL 79 Ca 0.15 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 3da8 h VAL 79 Cb 0.14 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3da8 h VAL 79 CO -0.17 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 177.48 3da8 h ALA 80 N 1.25 0.43 -0.02 1.67 0.00 -0.57 -0.86 119.26 121.16 3da8 h ALA 80 Ca 0.23 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3da8 h ALA 80 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3da8 h ALA 80 CO -0.09 0.25 -0.57 0.97 0.00 0.00 0.00 179.25 179.81 3da8 h ILE 81 N 0.37 1.41 -0.27 0.00 2.10 -0.83 -0.55 117.51 119.74 3da8 h ILE 81 Ca 0.08 -1.95 -0.04 0.00 1.08 0.00 0.00 64.86 64.03 3da8 h ILE 81 Cb 0.56 2.04 -0.01 0.00 -1.09 0.00 0.00 36.82 38.32 3da8 h ILE 81 CO 0.03 0.56 0.02 0.74 -1.08 0.00 0.00 178.15 178.43 3da8 h THR 82 N 0.04 1.24 -0.62 2.19 2.02 -1.09 -1.04 112.91 115.65 3da8 h THR 82 Ca -0.00 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 3da8 h THR 82 Cb 1.02 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 3da8 h THR 82 CO 0.08 0.27 0.25 0.00 0.37 0.00 0.00 175.52 176.49 3da8 h ALA 83 N 0.85 0.80 -0.59 6.16 0.00 -0.92 0.39 119.26 125.95 3da8 h ALA 83 Ca 0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3da8 h ALA 83 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3da8 h ALA 83 CO 0.01 0.42 0.10 0.00 0.00 0.00 0.00 179.25 179.77 3da8 h ALA 84 N 1.10 0.79 -0.11 0.00 0.00 -1.03 -0.79 119.26 119.22 3da8 h ALA 84 Ca 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3da8 h ALA 84 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3da8 h ALA 84 CO -0.02 0.54 -0.10 1.15 0.00 0.00 0.00 179.25 180.82 3da8 h THR 85 N 0.88 1.35 0.00 0.00 2.02 -1.02 -3.01 112.91 113.13 3da8 h THR 85 Ca 0.18 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 3da8 h THR 85 Cb 0.42 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3da8 h THR 85 CO 0.01 0.35 -0.06 0.00 0.37 0.00 0.00 175.52 176.19 3da8 h ALA 86 N 0.60 1.51 0.00 6.16 0.00 -0.85 -2.29 119.26 124.39 3da8 h ALA 86 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3da8 h ALA 86 Cb 0.60 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3da8 h ALA 86 CO 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 179.25 179.34 3da8 h ALA 87 N 1.94 1.27 -0.15 0.00 0.00 -1.00 -0.62 119.26 120.71 3da8 h ALA 87 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3da8 h ALA 87 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3da8 h ALA 87 CO 0.01 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.99 3da8 n HIS 88 N -3.49 0.18 -3.86 0.00 8.25 -0.86 -4.97 115.22 110.47 3da8 n HIS 88 Ca -0.03 -0.09 -0.24 0.00 -0.26 0.00 0.00 57.72 57.10 3da8 n HIS 88 Cb 0.10 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 3da8 n HIS 88 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3da8 n GLU 89 N 0.48 -3.65 -2.44 -0.41 1.02 -0.24 -4.91 120.64 110.49 3da8 n GLU 89 Ca 0.17 0.47 -0.35 0.00 -0.02 0.00 0.00 57.16 57.43 3da8 n GLU 89 Cb 0.38 -4.69 -0.02 0.00 -0.02 0.00 0.00 31.44 27.09 3da8 n GLU 89 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3da8 s PRO 90 N -6.35 3.77 0.06 3.49 0.04 -1.26 -4.75 135.00 129.99 3da8 s PRO 90 Ca 0.03 1.50 0.17 0.00 0.04 0.00 0.00 61.00 62.74 3da8 s PRO 90 Cb -0.01 -2.20 -0.14 0.00 0.04 0.00 0.00 34.50 32.19 3da8 s PRO 90 CO 0.86 -0.48 0.80 -0.25 0.04 0.00 0.00 177.00 177.97 3da8 n ASP 91 N -0.80 0.79 -3.85 6.66 8.00 0.75 -4.96 116.55 123.15 3da8 n ASP 91 Ca 0.09 0.34 -0.12 0.00 0.71 0.00 0.00 54.79 55.82 3da8 n ASP 91 Cb 0.51 0.28 -0.10 0.00 -0.02 0.00 0.00 41.12 41.79 3da8 n ASP 91 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3da8 s LEU 92 N -5.69 1.45 -0.07 0.64 1.43 -0.98 -4.86 118.68 110.60 3da8 s LEU 92 Ca -0.03 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3da8 s LEU 92 Cb 0.09 0.73 0.01 0.00 0.03 0.00 0.00 46.19 47.05 3da8 s LEU 92 CO 0.81 -0.34 -0.13 -0.69 0.23 0.00 0.00 176.35 176.23 3da8 s VAL 93 N -1.17 1.24 -0.22 -1.59 1.01 0.12 -1.55 120.40 118.25 3da8 s VAL 93 Ca -0.13 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 3da8 s VAL 93 Cb -0.06 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3da8 s VAL 93 CO 0.02 0.38 0.06 -0.69 0.00 0.00 0.00 175.10 174.86 3da8 s VAL 94 N 0.67 4.41 -0.11 2.92 1.01 -0.29 -0.73 120.40 128.29 3da8 s VAL 94 Ca -0.14 -0.15 0.15 0.00 0.00 0.00 0.00 61.98 61.84 3da8 s VAL 94 Cb -0.16 -3.03 0.24 0.00 0.00 0.00 0.00 36.38 33.43 3da8 s VAL 94 CO 0.04 0.39 1.12 -1.54 0.00 0.00 0.00 175.10 175.11 3da8 n SER 95 N 4.37 1.89 -0.20 3.32 3.41 -0.22 -0.53 113.62 125.66 3da8 n SER 95 Ca -0.16 -2.88 0.08 0.00 -0.26 0.00 0.00 58.87 55.65 3da8 n SER 95 Cb 0.52 -0.39 0.37 0.00 -0.26 0.00 0.00 64.21 64.45 3da8 n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3da8 h ALA 96 N 0.01 1.76 -0.35 7.33 0.00 -1.77 -1.14 119.26 125.10 3da8 h ALA 96 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3da8 h ALA 96 Cb 1.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3da8 h ALA 96 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3da8 n GLY 97 N -1.45 1.12 3.75 0.00 0.00 -1.26 -4.76 105.19 102.58 3da8 n GLY 97 Ca 0.12 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 3da8 n GLY 97 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3da8 s PHE 98 N -1.54 3.61 -0.34 1.61 5.36 -0.43 -1.24 117.98 125.02 3da8 s PHE 98 Ca 0.35 1.10 0.08 0.00 -0.96 0.00 0.00 56.93 57.50 3da8 s PHE 98 Cb 0.19 -2.61 0.61 0.00 -0.34 0.00 0.00 43.02 40.87 3da8 s PHE 98 CO 0.27 0.27 1.67 -1.33 -1.46 0.00 0.00 175.22 174.64 3da8 n MET 99 N 3.15 2.47 -4.16 10.12 2.81 -1.26 -4.91 117.12 125.34 3da8 n MET 99 Ca -0.06 -3.08 -0.18 0.00 -1.81 0.00 0.00 57.70 52.57 3da8 n MET 99 Cb 0.51 -2.02 -0.12 0.00 -0.71 0.00 0.00 33.22 30.89 3da8 n MET 99 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3da8 s ARG 100 N -3.17 0.79 -0.11 0.03 0.52 -1.26 -5.12 118.95 110.63 3da8 s ARG 100 Ca 0.50 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 3da8 s ARG 100 Cb 0.43 -0.78 -0.02 0.00 0.52 0.00 0.00 34.95 35.10 3da8 s ARG 100 CO 0.07 0.17 1.14 0.42 0.02 0.00 0.00 175.30 177.12 3da8 s ILE 101 N -1.28 4.46 0.13 1.52 1.01 -1.26 -5.00 121.20 120.78 3da8 s ILE 101 Ca -0.03 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.08 3da8 s ILE 101 Cb -0.10 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.17 3da8 s ILE 101 CO 0.02 -0.05 1.19 -0.76 0.00 0.00 0.00 174.94 175.35 3da8 s LEU 102 N 2.53 4.42 0.86 2.97 1.43 -1.26 -5.02 118.68 124.60 3da8 s LEU 102 Ca 0.52 2.12 -0.08 0.00 -1.03 0.00 0.00 54.13 55.66 3da8 s LEU 102 Cb -0.21 -3.59 0.18 0.00 0.03 0.00 0.00 46.19 42.59 3da8 s LEU 102 CO 0.17 -0.41 1.17 -0.83 0.23 0.00 0.00 176.35 176.69 3da8 s GLY 103 N 0.55 1.78 0.39 -3.19 0.00 -1.26 -4.85 107.32 100.74 3da8 s GLY 103 Ca 0.55 -1.55 0.11 0.00 0.00 0.00 0.00 44.72 43.84 3da8 s GLY 103 CO 0.33 -0.85 1.91 -0.56 0.00 0.00 0.00 173.10 173.93 3da8 h PRO 104 N -1.13 0.14 -0.38 2.90 0.13 -1.96 -1.53 132.00 130.17 3da8 h PRO 104 Ca -0.40 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 3da8 h PRO 104 Cb 1.24 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3da8 h PRO 104 CO 0.36 0.34 -0.02 1.96 -0.23 0.00 0.00 178.00 180.41 3da8 h GLN 105 N 0.13 0.68 -0.39 0.86 1.08 -1.94 0.25 115.11 115.78 3da8 h GLN 105 Ca 0.02 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 3da8 h GLN 105 Cb 0.44 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3da8 h GLN 105 CO 0.03 0.79 0.21 0.35 -0.95 0.00 0.00 178.83 179.26 3da8 h PHE 106 N 0.49 0.53 -0.10 2.96 3.57 -1.71 -2.85 116.94 119.83 3da8 h PHE 106 Ca 0.10 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 3da8 h PHE 106 Cb 0.50 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3da8 h PHE 106 CO 0.04 0.42 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.10 3da8 h LEU 107 N 0.49 0.20 -1.01 0.59 3.38 -1.20 0.39 115.31 118.16 3da8 h LEU 107 Ca 0.14 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.14 3da8 h LEU 107 Cb 0.06 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 3da8 h LEU 107 CO -0.02 0.56 0.64 -1.28 0.09 0.00 0.00 178.44 178.43 3da8 h SER 108 N 0.17 0.95 0.30 -0.43 0.87 -0.72 -0.16 113.55 114.54 3da8 h SER 108 Ca 0.02 0.04 -0.33 0.00 -1.23 0.00 0.00 61.79 60.29 3da8 h SER 108 Cb 0.74 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3da8 h SER 108 CO 0.06 0.51 -1.71 -0.09 -0.53 0.00 0.00 176.83 175.07 3da8 h ARG 109 N 1.02 0.29 -0.01 2.24 2.43 -1.25 -3.42 114.38 115.68 3da8 h ARG 109 Ca 0.49 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3da8 h ARG 109 Cb 0.45 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3da8 h ARG 109 CO -0.26 1.17 0.00 1.19 -1.51 0.00 0.00 179.97 180.56 3da8 n PHE 110 N -3.48 0.01 -1.71 2.20 3.72 0.07 -4.98 117.46 113.28 3da8 n PHE 110 Ca -0.22 -0.05 -0.43 0.00 -0.05 0.00 0.00 57.45 56.70 3da8 n PHE 110 Cb 1.06 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.57 3da8 n PHE 110 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3da8 n TYR 111 N 0.07 2.60 0.00 1.38 9.36 -0.09 -1.16 117.16 129.32 3da8 n TYR 111 Ca 0.01 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.51 3da8 n TYR 111 Cb 0.08 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.22 3da8 n TYR 111 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3da8 n GLY 112 N 2.54 2.62 0.09 2.98 0.00 -1.26 -4.81 105.19 107.34 3da8 n GLY 112 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 3da8 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da8 n ARG 113 N -2.00 -0.57 -4.36 1.61 1.74 -0.31 -4.95 116.66 107.82 3da8 n ARG 113 Ca 0.00 -0.62 -0.34 0.00 -0.77 0.00 0.00 57.85 56.12 3da8 n ARG 113 Cb 0.00 -1.04 -0.14 0.00 -1.02 0.00 0.00 32.46 30.26 3da8 n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3da8 s THR 114 N -0.21 3.27 -0.05 0.55 2.01 -1.08 -0.70 115.64 119.44 3da8 s THR 114 Ca 0.03 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.52 3da8 s THR 114 Cb 0.02 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 3da8 s THR 114 CO 0.03 0.48 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.47 3da8 s LEU 115 N 0.81 2.34 0.30 4.42 1.43 0.09 -1.15 118.68 126.91 3da8 s LEU 115 Ca -0.03 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 3da8 s LEU 115 Cb -0.15 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 3da8 s LEU 115 CO 0.01 0.30 -0.06 0.21 0.23 0.00 0.00 176.35 177.05 3da8 s ASN 116 N -0.48 2.96 0.23 2.29 3.84 -0.27 -1.06 114.94 122.45 3da8 s ASN 116 Ca 0.06 -1.21 0.09 0.00 0.21 0.00 0.00 52.86 52.00 3da8 s ASN 116 Cb -0.11 -0.21 -0.05 0.00 -0.55 0.00 0.00 41.25 40.33 3da8 s ASN 116 CO 0.01 -0.34 -0.15 0.42 -2.79 0.00 0.00 177.10 174.26 3da8 s THR 117 N -2.94 1.89 -0.08 -5.21 -4.23 -1.26 -1.39 115.64 102.42 3da8 s THR 117 Ca 0.31 -2.24 -0.07 0.00 -1.18 0.00 0.00 61.69 58.51 3da8 s THR 117 Cb 0.04 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.75 3da8 s THR 117 CO 0.13 -0.52 0.20 -2.28 -0.54 0.00 0.00 174.62 171.62 3da8 s HIS 118 N -2.88 -0.23 -0.29 3.99 2.46 0.10 -4.98 115.29 113.47 3da8 s HIS 118 Ca 0.25 0.56 -0.04 0.00 0.47 0.00 0.00 55.06 56.30 3da8 s HIS 118 Cb -0.01 0.07 -0.03 0.00 -0.13 0.00 0.00 32.58 32.48 3da8 s HIS 118 CO 0.09 -0.12 2.94 -0.35 -2.47 0.00 0.00 174.74 174.83 3da8 n PRO 119 N 3.12 2.18 -3.88 2.88 -0.04 -1.26 -1.02 135.00 136.99 3da8 n PRO 119 Ca -0.14 -1.80 -0.08 0.00 -0.04 0.00 0.00 63.50 61.44 3da8 n PRO 119 Cb 0.58 -2.02 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 3da8 n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3da8 s ALA 120 N -0.86 -0.82 -0.99 0.55 0.00 -0.51 -4.39 121.76 114.75 3da8 s ALA 120 Ca 0.57 -0.48 -0.20 0.00 0.00 0.00 0.00 51.96 51.86 3da8 s ALA 120 Cb 0.34 0.93 0.11 0.00 0.00 0.00 0.00 23.12 24.50 3da8 s ALA 120 CO -0.13 -0.92 1.26 -0.51 0.00 0.00 0.00 175.76 175.46 3da8 s LEU 121 N -2.94 4.59 0.53 0.00 1.43 -1.25 -2.98 118.68 118.05 3da8 s LEU 121 Ca 0.14 -1.96 -0.22 0.00 -1.03 0.00 0.00 54.13 51.07 3da8 s LEU 121 Cb -0.03 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 3da8 s LEU 121 CO 0.05 -1.17 1.17 0.18 0.23 0.00 0.00 176.35 176.81 3da8 n LEU 122 N 7.19 4.29 -0.34 1.79 4.77 -1.26 -1.57 117.00 131.87 3da8 n LEU 122 Ca 0.28 0.95 0.11 0.00 -0.03 0.00 0.00 56.01 57.32 3da8 n LEU 122 Cb 0.49 -1.47 0.47 0.00 -2.33 0.00 0.00 43.42 40.58 3da8 n LEU 122 CO 0.56 -1.13 0.82 -0.81 -1.33 0.00 0.00 177.39 175.50 3da8 n PRO 123 N -0.69 1.45 -2.17 3.23 -0.04 -1.26 -5.09 135.00 130.43 3da8 n PRO 123 Ca 0.11 -0.68 -0.38 0.00 -0.04 0.00 0.00 63.50 62.51 3da8 n PRO 123 Cb 0.44 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 3da8 n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3da8 s ALA 124 N -1.89 3.09 -1.21 0.55 0.00 -0.61 -4.16 121.76 117.54 3da8 s ALA 124 Ca 0.32 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 3da8 s ALA 124 Cb 0.16 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3da8 s ALA 124 CO 0.26 -0.73 0.73 1.19 0.00 0.00 0.00 175.76 177.21 3da8 n PHE 125 N -0.20 -1.93 -1.40 0.00 3.72 -1.26 -4.37 117.46 112.02 3da8 n PHE 125 Ca 0.06 0.63 -0.29 0.00 -0.05 0.00 0.00 57.45 57.80 3da8 n PHE 125 Cb 0.46 -3.79 0.15 0.00 -0.94 0.00 0.00 39.48 35.37 3da8 n PHE 125 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3da8 s PRO 126 N -5.89 0.82 0.18 -1.08 0.04 -1.26 -4.30 135.00 123.52 3da8 s PRO 126 Ca 0.29 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.69 3da8 s PRO 126 Cb -0.09 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3da8 s PRO 126 CO 0.84 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.86 3da8 n GLY 127 N -1.79 -2.67 0.01 0.56 0.00 -1.26 -4.38 105.19 95.66 3da8 n GLY 127 Ca 0.06 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.34 3da8 n GLY 127 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3da8 n THR 128 N -0.15 0.00 -1.68 2.61 -2.24 -1.26 -3.51 114.28 108.05 3da8 n THR 128 Ca 0.00 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 3da8 n THR 128 Cb 0.00 -0.31 0.16 0.00 -2.10 0.00 0.00 70.33 68.08 3da8 n THR 128 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3da8 n HIS 129 N -1.41 0.94 0.02 4.78 8.25 -1.26 -4.83 115.22 121.71 3da8 n HIS 129 Ca 0.09 -1.74 0.03 0.00 -0.26 0.00 0.00 57.72 55.84 3da8 n HIS 129 Cb 0.32 -0.34 0.40 0.00 1.12 0.00 0.00 29.99 31.49 3da8 n HIS 129 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3da8 h GLY 130 N 1.32 0.54 0.51 -1.41 0.00 -1.74 -0.66 103.07 101.62 3da8 h GLY 130 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3da8 h GLY 130 CO 0.29 0.22 -0.05 -2.08 0.00 0.00 0.00 176.54 174.92 3da8 h VAL 131 N 0.51 1.10 -1.00 4.60 2.07 -1.87 -1.21 116.25 120.45 3da8 h VAL 131 Ca 0.13 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.72 3da8 h VAL 131 Cb 0.05 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 3da8 h VAL 131 CO -0.02 0.24 0.64 0.00 0.02 0.00 0.00 177.57 178.45 3da8 h ALA 132 N 0.15 1.47 -0.44 1.67 0.00 -1.86 -1.27 119.26 118.98 3da8 h ALA 132 Ca -0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3da8 h ALA 132 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3da8 h ALA 132 CO 0.02 0.34 -0.10 -0.44 0.00 0.00 0.00 179.25 179.07 3da8 h ASP 133 N 1.09 0.86 -0.58 0.00 3.32 -1.08 -0.80 116.42 119.23 3da8 h ASP 133 Ca 0.46 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3da8 h ASP 133 Cb 0.31 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3da8 h ASP 133 CO -0.21 1.02 0.30 0.00 -1.72 0.00 0.00 179.24 178.63 3da8 h ALA 134 N 0.87 0.74 -0.40 3.45 0.00 -0.79 -1.28 119.26 121.85 3da8 h ALA 134 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3da8 h ALA 134 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3da8 h ALA 134 CO 0.04 0.27 0.20 1.25 0.00 0.00 0.00 179.25 181.02 3da8 h LEU 135 N 0.78 0.52 -1.19 0.00 5.85 -1.09 -2.45 115.31 117.73 3da8 h LEU 135 Ca 0.20 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3da8 h LEU 135 Cb 0.07 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3da8 h LEU 135 CO -0.03 0.49 0.07 0.00 -0.34 0.00 0.00 178.44 178.63 3da8 h ALA 136 N 1.05 1.34 0.00 1.25 0.00 -0.94 -2.37 119.26 119.60 3da8 h ALA 136 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3da8 h ALA 136 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3da8 h ALA 136 CO -0.02 0.46 -0.24 -0.92 0.00 0.00 0.00 179.25 178.53 3da8 h TYR 137 N 0.62 0.00 0.00 0.00 3.20 -0.90 -3.47 116.97 116.41 3da8 h TYR 137 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3da8 h TYR 137 Cb 0.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3da8 h TYR 137 CO 0.01 0.24 0.00 0.41 -1.64 0.00 0.00 178.16 177.18 3da8 n GLY 138 N 0.01 0.49 3.72 1.82 0.00 -0.89 -5.04 105.19 105.29 3da8 n GLY 138 Ca -0.00 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 3da8 n GLY 138 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3da8 s VAL 139 N -2.00 2.49 -0.33 1.61 -7.23 -1.21 -4.96 120.40 108.77 3da8 s VAL 139 Ca 0.00 0.21 0.20 0.00 -1.81 0.00 0.00 61.98 60.59 3da8 s VAL 139 Cb 0.00 -2.67 -0.28 0.00 0.56 0.00 0.00 36.38 33.99 3da8 s VAL 139 CO 0.00 -0.15 0.57 0.29 -0.31 0.00 0.00 175.10 175.50 3da8 n LYS 140 N -3.02 0.58 -4.19 4.82 4.76 -1.26 -4.72 118.16 115.13 3da8 n LYS 140 Ca 0.12 -0.12 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 3da8 n LYS 140 Cb 0.51 -1.46 -0.17 0.00 -1.84 0.00 0.00 35.03 32.07 3da8 n LYS 140 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3da8 s VAL 141 N -3.22 0.80 0.00 -0.18 1.01 -1.26 -1.15 120.40 116.39 3da8 s VAL 141 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3da8 s VAL 141 Cb 0.14 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3da8 s VAL 141 CO 0.83 0.30 0.00 1.07 0.00 0.00 0.00 175.10 177.30 3da8 n THR 142 N 4.30 0.00 -3.61 3.92 5.66 0.34 -4.94 114.28 119.96 3da8 n THR 142 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 3da8 n THR 142 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 3da8 n THR 142 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3da8 n GLY 143 N 3.75 -1.15 3.31 1.09 0.00 -1.26 -0.54 105.19 110.39 3da8 n GLY 143 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 3da8 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3da8 s ALA 144 N -1.00 1.93 -0.03 4.61 0.00 -0.46 -1.43 121.76 125.38 3da8 s ALA 144 Ca 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.70 3da8 s ALA 144 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 3da8 s ALA 144 CO 0.00 0.39 -0.15 0.99 0.00 0.00 0.00 175.76 176.99 3da8 s THR 145 N -1.17 1.24 -0.17 0.00 2.01 -0.19 -1.91 115.64 115.45 3da8 s THR 145 Ca 0.08 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 3da8 s THR 145 Cb -0.10 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 3da8 s THR 145 CO 0.05 0.36 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.65 3da8 s VAL 146 N 0.00 4.17 0.07 3.82 1.01 0.13 -0.72 120.40 128.88 3da8 s VAL 146 Ca -0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 3da8 s VAL 146 Cb -0.10 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3da8 s VAL 146 CO 0.01 0.47 0.07 -1.38 0.00 0.00 0.00 175.10 174.27 3da8 s HIS 147 N 0.48 0.38 0.19 5.22 -3.43 -0.49 -0.44 115.29 117.20 3da8 s HIS 147 Ca -0.01 -0.87 -0.30 0.00 -0.80 0.00 0.00 55.06 53.08 3da8 s HIS 147 Cb -0.14 -0.25 -0.08 0.00 -1.43 0.00 0.00 32.58 30.68 3da8 s HIS 147 CO 0.02 -0.46 1.22 -0.51 -2.00 0.00 0.00 174.74 173.01 3da8 s LEU 148 N -2.90 4.44 0.24 5.38 1.43 -0.20 -1.12 118.68 125.95 3da8 s LEU 148 Ca 0.07 2.27 -0.30 0.00 -1.03 0.00 0.00 54.13 55.14 3da8 s LEU 148 Cb 0.07 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 3da8 s LEU 148 CO -0.10 -0.41 1.24 -0.69 0.23 0.00 0.00 176.35 176.62 3da8 s VAL 149 N 0.01 3.23 0.00 -1.59 1.01 -0.30 -3.98 120.40 118.77 3da8 s VAL 149 Ca 0.54 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.62 3da8 s VAL 149 Cb -0.33 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3da8 s VAL 149 CO 0.37 0.21 0.00 -0.90 0.00 0.00 0.00 175.10 174.78 3da8 n ASP 150 N 1.90 0.31 0.28 3.32 3.85 -1.26 -4.63 116.55 120.32 3da8 n ASP 150 Ca 0.03 0.00 0.19 0.00 -0.71 0.00 0.00 54.79 54.30 3da8 n ASP 150 Cb 0.43 0.00 1.01 0.00 -1.35 0.00 0.00 41.12 41.22 3da8 n ASP 150 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3da8 h ALA 151 N 1.00 1.00 -0.14 2.12 0.00 -1.96 -3.48 119.26 117.81 3da8 h ALA 151 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3da8 h ALA 151 Cb 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.50 3da8 h ALA 151 CO 0.00 0.00 -0.89 -0.25 0.00 0.00 0.00 179.25 178.11 3da8 n ASP 154 N -2.82 1.64 -0.57 0.00 8.00 -1.26 -4.93 116.55 116.60 3da8 n ASP 154 Ca -0.02 -2.66 0.06 0.00 0.71 0.00 0.00 54.79 52.88 3da8 n ASP 154 Cb 0.07 -0.39 0.16 0.00 -0.02 0.00 0.00 41.12 40.94 3da8 n ASP 154 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3da8 n THR 155 N -0.22 1.79 -0.89 -3.53 -2.24 -1.26 -5.04 114.28 102.90 3da8 n THR 155 Ca 0.13 -2.63 -0.29 0.00 -2.27 0.00 0.00 64.05 58.99 3da8 n THR 155 Cb 0.96 -0.07 0.18 0.00 -2.10 0.00 0.00 70.33 69.30 3da8 n THR 155 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3da8 s GLY 156 N -2.92 1.60 0.25 3.38 0.00 -1.26 -4.90 107.32 103.48 3da8 s GLY 156 Ca 0.34 0.02 -0.31 0.00 0.00 0.00 0.00 44.72 44.77 3da8 s GLY 156 CO -0.05 0.58 1.44 -1.05 0.00 0.00 0.00 173.10 174.01 3da8 n PRO 157 N -4.32 2.16 -2.61 2.90 -0.02 -1.26 -4.51 135.00 127.34 3da8 n PRO 157 Ca 0.06 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 3da8 n PRO 157 Cb 0.54 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3da8 n PRO 157 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3da8 s ILE 158 N -0.07 4.60 -0.17 4.25 1.01 -1.26 -1.04 121.20 128.52 3da8 s ILE 158 Ca 0.67 1.87 -0.00 0.00 0.00 0.00 0.00 60.65 63.19 3da8 s ILE 158 Cb -0.62 -4.20 -0.22 0.00 0.01 0.00 0.00 42.46 37.42 3da8 s ILE 158 CO 0.50 0.07 0.15 0.18 0.00 0.00 0.00 174.94 175.84 3da8 n LEU 159 N 4.50 2.43 -3.55 2.97 4.77 0.42 -4.21 117.00 124.33 3da8 n LEU 159 Ca 0.08 0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.98 3da8 n LEU 159 Cb 0.49 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 3da8 n LEU 159 CO 0.53 0.82 0.43 0.00 -1.33 0.00 0.00 177.39 177.84 3da8 s ALA 160 N -2.54 -1.76 0.03 -1.18 0.00 -1.05 -4.97 121.76 110.29 3da8 s ALA 160 Ca -0.25 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.16 3da8 s ALA 160 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3da8 s ALA 160 CO 0.72 -0.36 0.06 -0.65 0.00 0.00 0.00 175.76 175.52 3da8 s GLN 161 N -0.79 0.52 -0.12 0.00 -0.21 -1.26 -0.70 119.66 117.11 3da8 s GLN 161 Ca -0.08 -0.75 -0.07 0.00 0.02 0.00 0.00 55.36 54.48 3da8 s GLN 161 Cb -0.01 0.20 0.04 0.00 1.00 0.00 0.00 33.01 34.24 3da8 s GLN 161 CO 0.08 -0.12 0.29 -1.14 -2.12 0.00 0.00 175.29 172.28 3da8 s GLN 162 N -2.41 0.28 0.59 2.91 2.00 -0.80 -5.00 119.66 117.23 3da8 s GLN 162 Ca -0.07 0.54 -0.15 0.00 -2.00 0.00 0.00 55.36 53.68 3da8 s GLN 162 Cb -0.03 -0.01 -0.04 0.00 0.80 0.00 0.00 33.01 33.73 3da8 s GLN 162 CO -0.04 -0.12 1.03 -1.25 -0.50 0.00 0.00 175.29 174.41 3da8 s PRO 163 N 0.94 3.48 -0.02 1.67 0.04 -1.26 -1.35 135.00 138.49 3da8 s PRO 163 Ca -0.06 1.05 -0.00 0.00 0.04 0.00 0.00 61.00 62.02 3da8 s PRO 163 Cb -0.07 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.43 3da8 s PRO 163 CO -0.07 -0.67 0.04 0.08 0.04 0.00 0.00 177.00 176.43 3da8 s VAL 164 N -2.67 -0.07 0.52 -0.36 1.01 0.30 -4.85 120.40 114.28 3da8 s VAL 164 Ca 0.60 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.64 3da8 s VAL 164 Cb -0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 36.38 36.08 3da8 s VAL 164 CO 0.40 0.10 1.04 -2.16 0.00 0.00 0.00 175.10 174.47 3da8 s PRO 165 N 1.21 3.69 -0.26 2.72 0.04 -1.26 -0.50 135.00 140.63 3da8 s PRO 165 Ca -0.07 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 3da8 s PRO 165 Cb -0.13 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 3da8 s PRO 165 CO -0.03 -0.52 0.18 0.08 0.04 0.00 0.00 177.00 176.75 3da8 s VAL 166 N -2.16 5.33 0.06 -0.36 1.01 -0.30 -4.83 120.40 119.15 3da8 s VAL 166 Ca 0.66 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 3da8 s VAL 166 Cb -0.16 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 3da8 s VAL 166 CO 0.25 0.29 0.38 -0.76 0.00 0.00 0.00 175.10 175.26 3da8 s LEU 167 N 1.47 4.36 0.19 3.92 1.43 -1.26 -4.84 118.68 123.94 3da8 s LEU 167 Ca 0.07 0.76 -0.33 0.00 -1.03 0.00 0.00 54.13 53.60 3da8 s LEU 167 Cb -0.15 -2.91 -0.13 0.00 0.03 0.00 0.00 46.19 43.03 3da8 s LEU 167 CO 0.08 0.19 1.56 -0.90 0.23 0.00 0.00 176.35 177.51 3da8 n ASP 168 N 0.98 3.14 0.00 2.29 5.75 -1.26 -1.49 116.55 125.97 3da8 n ASP 168 Ca -0.09 1.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.79 3da8 n ASP 168 Cb 0.52 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.16 3da8 n ASP 168 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3da8 n GLY 169 N 3.13 0.75 3.77 6.12 0.00 -1.26 -5.05 105.19 112.65 3da8 n GLY 169 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3da8 n GLY 169 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3da8 s ASP 170 N -2.53 5.93 0.52 1.61 1.01 -0.55 -5.05 116.67 117.60 3da8 s ASP 170 Ca 0.00 2.87 0.07 0.00 0.71 0.00 0.00 52.55 56.21 3da8 s ASP 170 Cb 0.00 -2.65 0.04 0.00 1.01 0.00 0.00 42.92 41.32 3da8 s ASP 170 CO 0.00 -1.14 0.53 1.51 0.21 0.00 0.00 175.17 176.28 3da8 s ASP 171 N -0.56 4.92 0.21 0.27 1.47 -1.26 -4.95 116.67 116.77 3da8 s ASP 171 Ca 0.61 -0.97 -0.09 0.00 1.18 0.00 0.00 52.55 53.27 3da8 s ASP 171 Cb -0.43 0.12 0.23 0.00 -0.34 0.00 0.00 42.92 42.51 3da8 s ASP 171 CO 0.55 -1.07 1.82 -0.08 0.68 0.00 0.00 175.17 177.07 3da8 h GLU 172 N 0.62 0.73 -0.45 2.11 4.22 -1.97 -1.63 114.58 118.22 3da8 h GLU 172 Ca -0.36 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.00 3da8 h GLU 172 Cb 1.29 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3da8 h GLU 172 CO 0.51 0.48 0.13 1.49 -2.18 0.00 0.00 179.01 179.44 3da8 h GLU 173 N 0.75 0.70 -0.25 1.92 4.81 -1.98 0.12 114.58 120.65 3da8 h GLU 173 Ca 0.30 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 3da8 h GLU 173 Cb 0.14 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3da8 h GLU 173 CO -0.16 0.69 -0.17 1.15 -0.73 0.00 0.00 179.01 179.79 3da8 h THR 174 N 0.59 1.31 -0.43 0.32 2.02 -1.90 -1.56 112.91 113.26 3da8 h THR 174 Ca 0.14 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 3da8 h THR 174 Cb 0.29 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3da8 h THR 174 CO -0.00 0.40 0.14 0.25 0.37 0.00 0.00 175.52 176.68 3da8 h LEU 175 N 0.28 0.62 -0.83 2.58 5.85 -1.26 -2.13 115.31 120.42 3da8 h LEU 175 Ca 0.05 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3da8 h LEU 175 Cb 0.70 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3da8 h LEU 175 CO 0.05 0.65 0.22 -0.74 -0.34 0.00 0.00 178.44 178.28 3da8 h HIS 176 N 0.55 1.12 -0.60 1.25 2.76 -0.69 -0.55 115.15 119.00 3da8 h HIS 176 Ca 0.14 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 3da8 h HIS 176 Cb 0.25 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 3da8 h HIS 176 CO 0.01 0.89 0.19 1.49 -1.30 0.00 0.00 177.93 179.20 3da8 h GLU 177 N 1.04 0.93 -0.80 5.26 4.81 -1.21 -0.28 114.58 124.33 3da8 h GLU 177 Ca 0.23 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3da8 h GLU 177 Cb 0.30 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3da8 h GLU 177 CO -0.01 0.83 0.35 -0.09 -0.73 0.00 0.00 179.01 179.36 3da8 h ARG 178 N 0.85 1.17 -0.30 1.92 2.43 -0.68 -1.78 114.38 117.99 3da8 h ARG 178 Ca 0.19 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3da8 h ARG 178 Cb 0.29 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3da8 h ARG 178 CO -0.01 0.93 0.04 0.82 -1.51 0.00 0.00 179.97 180.25 3da8 h ILE 179 N 1.14 1.24 -0.85 1.20 2.04 -0.93 -3.00 117.51 118.35 3da8 h ILE 179 Ca 0.27 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.35 3da8 h ILE 179 Cb 0.17 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3da8 h ILE 179 CO -0.03 0.27 0.56 0.11 0.00 0.00 0.00 178.15 179.06 3da8 h LYS 180 N 0.32 1.00 -0.33 2.37 6.56 -0.63 0.21 116.57 126.07 3da8 h LYS 180 Ca 0.09 -0.06 0.06 0.00 -1.06 0.00 0.00 60.65 59.68 3da8 h LYS 180 Cb 0.35 -0.23 -0.06 0.00 -0.57 0.00 0.00 32.23 31.73 3da8 h LYS 180 CO 0.01 0.66 -0.03 0.28 -2.06 0.00 0.00 179.45 178.31 3da8 h VAL 181 N 1.03 0.72 -0.31 0.50 2.07 -1.23 -1.75 116.25 117.28 3da8 h VAL 181 Ca 0.34 -0.02 -0.16 0.00 0.82 0.00 0.00 66.70 67.68 3da8 h VAL 181 Cb 0.07 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3da8 h VAL 181 CO -0.11 0.01 -0.45 0.74 0.02 0.00 0.00 177.57 177.79 3da8 h THR 182 N 0.06 1.28 -0.78 2.57 2.02 -1.12 -3.01 112.91 113.94 3da8 h THR 182 Ca 0.16 -1.63 0.12 0.00 0.77 0.00 0.00 66.41 65.83 3da8 h THR 182 Cb 0.23 1.52 -0.08 0.00 -1.74 0.00 0.00 68.15 68.08 3da8 h THR 182 CO -0.30 0.53 0.38 -0.33 0.37 0.00 0.00 175.52 176.18 3da8 h GLU 183 N 0.64 0.58 -0.23 6.66 5.08 -0.34 0.50 114.58 127.45 3da8 h GLU 183 Ca 0.04 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3da8 h GLU 183 Cb 1.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3da8 h GLU 183 CO 0.10 0.38 -0.00 0.00 -1.00 0.00 0.00 179.01 178.49 3da8 h ARG 184 N 0.59 0.41 -0.70 2.33 3.08 -1.19 -0.43 114.38 118.48 3da8 h ARG 184 Ca 0.41 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 3da8 h ARG 184 Cb 0.52 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3da8 h ARG 184 CO -0.33 0.59 0.14 0.00 -1.07 0.00 0.00 179.97 179.31 3da8 h ARG 185 N 0.18 1.14 -0.54 0.04 3.08 -1.39 -1.92 114.38 114.97 3da8 h ARG 185 Ca 0.07 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 3da8 h ARG 185 Cb 0.41 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3da8 h ARG 185 CO 0.01 1.01 0.04 1.25 -1.07 0.00 0.00 179.97 181.21 3da8 h LEU 186 N 1.07 0.90 -0.43 3.04 5.85 -0.74 -1.49 115.31 123.51 3da8 h LEU 186 Ca 0.22 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3da8 h LEU 186 Cb 0.41 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3da8 h LEU 186 CO 0.01 0.97 0.12 0.25 -0.34 0.00 0.00 178.44 179.44 3da8 h LEU 187 N 0.81 0.64 -0.67 2.25 5.85 -0.92 0.02 115.31 123.30 3da8 h LEU 187 Ca 0.16 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3da8 h LEU 187 Cb 0.48 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3da8 h LEU 187 CO 0.02 0.69 0.42 0.58 -0.34 0.00 0.00 178.44 179.82 3da8 h VAL 188 N 0.56 1.11 -0.50 1.05 2.07 -1.22 -0.33 116.25 118.98 3da8 h VAL 188 Ca 0.14 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 3da8 h VAL 188 Cb 0.29 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3da8 h VAL 188 CO -0.00 0.15 -0.11 0.00 0.02 0.00 0.00 177.57 177.63 3da8 h ALA 189 N 1.28 0.86 -0.41 1.67 0.00 -0.99 -2.65 119.26 119.01 3da8 h ALA 189 Ca 0.26 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3da8 h ALA 189 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3da8 h ALA 189 CO -0.09 0.65 -0.30 0.00 0.00 0.00 0.00 179.25 179.51 3da8 h ALA 190 N 1.04 0.68 -0.51 0.00 0.00 -0.53 -1.32 119.26 118.63 3da8 h ALA 190 Ca 0.13 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3da8 h ALA 190 Cb 0.64 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3da8 h ALA 190 CO 0.04 0.67 0.34 0.28 0.00 0.00 0.00 179.25 180.58 3da8 h VAL 191 N 0.77 1.13 -0.49 0.00 2.07 -1.04 -0.14 116.25 118.54 3da8 h VAL 191 Ca 0.08 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3da8 h VAL 191 Cb 0.87 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3da8 h VAL 191 CO 0.08 0.13 0.18 0.00 0.02 0.00 0.00 177.57 177.97 3da8 h ALA 192 N 1.19 0.64 -0.53 1.67 0.00 -1.24 -0.69 119.26 120.30 3da8 h ALA 192 Ca 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3da8 h ALA 192 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3da8 h ALA 192 CO -0.04 0.27 0.15 0.00 0.00 0.00 0.00 179.25 179.63 3da8 h ALA 193 N 1.03 0.69 -0.62 0.00 0.00 -1.00 -1.19 119.26 118.16 3da8 h ALA 193 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3da8 h ALA 193 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3da8 h ALA 193 CO -0.01 0.37 0.06 1.25 0.00 0.00 0.00 179.25 180.92 3da8 h LEU 194 N 0.73 1.03 -0.33 0.00 5.85 -0.84 0.13 115.31 121.88 3da8 h LEU 194 Ca 0.17 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3da8 h LEU 194 Cb 0.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3da8 h LEU 194 CO -0.00 1.05 0.17 0.00 -0.34 0.00 0.00 178.44 179.32 3da8 h ALA 195 N 1.01 0.43 0.02 1.25 0.00 -0.91 -0.32 119.26 120.74 3da8 h ALA 195 Ca 0.18 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 3da8 h ALA 195 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3da8 h ALA 195 CO 0.02 -0.02 -1.12 1.79 0.00 0.00 0.00 179.25 179.93 3da8 h THR 196 N 0.40 1.59 0.00 0.00 1.35 -1.04 0.15 112.91 115.37 3da8 h THR 196 Ca 0.11 -3.29 -0.04 0.00 -0.55 0.00 0.00 66.41 62.65 3da8 h THR 196 Cb 0.10 2.83 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 3da8 h THR 196 CO -0.02 0.92 -1.43 1.41 -0.25 0.00 0.00 175.52 176.15 3da8 n HIS 197 N -3.36 0.00 -3.17 4.73 8.25 0.43 -4.73 115.22 117.37 3da8 n HIS 197 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.47 3da8 n HIS 197 Cb 0.97 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.82 3da8 n HIS 197 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3da8 n GLY 198 N 2.13 -1.68 3.27 -1.41 0.00 -0.13 -2.85 105.19 104.52 3da8 n GLY 198 Ca -0.04 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 3da8 n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da8 s VAL 199 N -0.62 0.04 0.02 1.61 0.11 -0.21 -2.14 120.40 119.21 3da8 s VAL 199 Ca 0.00 -0.31 0.06 0.00 -2.93 0.00 0.00 61.98 58.81 3da8 s VAL 199 Cb 0.00 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3da8 s VAL 199 CO 0.00 -0.17 -0.18 0.42 -3.33 0.00 0.00 175.10 171.84 3da8 s THR 200 N -0.89 1.45 -0.17 5.04 -4.23 -0.58 -0.56 115.64 115.71 3da8 s THR 200 Ca -0.10 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 3da8 s THR 200 Cb -0.04 -1.24 0.02 0.00 1.34 0.00 0.00 72.50 72.57 3da8 s THR 200 CO 0.04 0.26 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.49 3da8 s VAL 201 N -0.63 1.98 -0.14 2.29 1.01 -0.44 -0.73 120.40 123.75 3da8 s VAL 201 Ca 0.06 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3da8 s VAL 201 Cb -0.08 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3da8 s VAL 201 CO 0.01 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 3da8 s VAL 202 N 1.22 1.84 0.00 2.92 1.01 -0.75 -2.79 120.40 123.85 3da8 s VAL 202 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3da8 s VAL 202 Cb -0.13 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3da8 s VAL 202 CO -0.10 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3da8 n GLY 203 N 4.27 2.09 0.03 4.51 0.00 -1.26 -1.39 105.19 113.43 3da8 n GLY 203 Ca -0.19 0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.85 3da8 n GLY 203 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3da8 n ARG 204 N 4.16 2.21 -3.37 1.61 1.85 -1.26 -5.03 116.66 116.83 3da8 n ARG 204 Ca 0.00 -1.54 -0.40 0.00 -1.00 0.00 0.00 57.85 54.92 3da8 n ARG 204 Cb 0.00 -1.00 -0.09 0.00 -1.05 0.00 0.00 32.46 30.32 3da8 n ARG 204 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3da8 s THR 205 N -1.16 5.15 -0.16 8.89 2.01 -0.49 -4.26 115.64 125.62 3da8 s THR 205 Ca 0.06 0.49 -0.14 0.00 0.31 0.00 0.00 61.69 62.41 3da8 s THR 205 Cb 0.05 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 3da8 s THR 205 CO 0.01 0.09 0.30 0.00 -0.69 0.00 0.00 174.62 174.32 3da8 s ALA 206 N 2.10 3.59 -0.12 7.40 0.00 -1.26 -1.81 121.76 131.66 3da8 s ALA 206 Ca 0.15 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3da8 s ALA 206 Cb -0.16 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.58 3da8 s ALA 206 CO 0.10 0.08 -0.18 0.99 0.00 0.00 0.00 175.76 176.76 3da8 s THR 207 N 0.50 1.72 0.42 0.00 2.01 0.10 -4.89 115.64 115.49 3da8 s THR 207 Ca 0.17 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 3da8 s THR 207 Cb -0.13 -1.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.74 3da8 s THR 207 CO 0.04 0.48 1.38 -0.04 -0.69 0.00 0.00 174.62 175.79 3da8 s MET 208 N 0.93 3.89 0.38 4.92 -1.94 -1.26 -1.52 119.30 124.69 3da8 s MET 208 Ca -0.06 2.33 -0.06 0.00 -1.71 0.00 0.00 55.69 56.18 3da8 s MET 208 Cb -0.15 -2.76 0.09 0.00 2.01 0.00 0.00 34.83 34.02 3da8 s MET 208 CO -0.02 -0.62 0.39 0.41 -0.01 0.00 0.00 175.02 175.18 3da8 n GLY 209 N 0.61 -2.06 0.00 -0.03 0.00 -0.91 -4.91 105.19 97.89 3da8 n GLY 209 Ca 0.04 -1.55 0.07 0.00 0.00 0.00 0.00 46.02 44.58 3da8 n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86