#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a48 s ILE 3 N 0.00 2.09 -0.22 2.46 -1.09 -1.26 -4.98 121.20 118.20 1a48 s ILE 3 Ca 0.00 -1.21 0.12 0.00 -2.23 0.00 0.00 60.65 57.32 1a48 s ILE 3 Cb 0.00 -2.02 -0.22 0.00 -1.58 0.00 0.00 42.46 38.64 1a48 s ILE 3 CO 0.00 0.31 -0.04 0.41 -1.23 0.00 0.00 174.94 174.39 1a48 n THR 4 N 4.55 1.43 -3.71 2.92 -1.04 -1.26 -0.58 114.28 116.59 1a48 n THR 4 Ca -0.18 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.05 60.96 1a48 n THR 4 Cb 0.47 -0.83 -0.10 0.00 -1.82 0.00 0.00 70.33 68.04 1a48 n THR 4 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1a48 s LYS 5 N -2.50 0.46 0.20 -2.82 2.20 -1.26 -4.68 119.74 111.33 1a48 s LYS 5 Ca -0.19 0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 55.91 1a48 s LYS 5 Cb 0.07 0.12 -0.08 0.00 -1.51 0.00 0.00 37.83 36.43 1a48 s LYS 5 CO 0.74 -0.11 0.71 0.95 -0.36 0.00 0.00 175.35 177.29 1a48 s THR 6 N 0.80 4.56 -0.30 3.43 -4.23 -1.26 -5.05 115.64 113.60 1a48 s THR 6 Ca -0.05 1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 61.78 1a48 s THR 6 Cb -0.06 -3.90 0.10 0.00 1.34 0.00 0.00 72.50 69.98 1a48 s THR 6 CO -0.06 0.29 0.09 -1.61 -0.54 0.00 0.00 174.62 172.79 1a48 s GLU 7 N -1.77 0.74 -0.03 3.99 0.41 -1.26 -4.98 118.70 115.80 1a48 s GLU 7 Ca 0.40 -1.03 0.15 0.00 -0.41 0.00 0.00 54.97 54.08 1a48 s GLU 7 Cb -0.18 -2.02 0.44 0.00 -1.78 0.00 0.00 34.13 30.60 1a48 s GLU 7 CO 0.22 -0.95 1.37 1.28 -0.49 0.00 0.00 175.26 176.68 1a48 n LEU 8 N 4.85 3.44 -4.23 1.80 4.77 -1.26 -4.94 117.00 121.43 1a48 n LEU 8 Ca -0.03 -2.16 -0.37 0.00 -0.03 0.00 0.00 56.01 53.42 1a48 n LEU 8 Cb 0.42 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1a48 n LEU 8 CO 0.12 0.79 -0.02 0.47 -1.33 0.00 0.00 177.39 177.41 1a48 n ASP 9 N 0.69 -3.36 -1.20 -1.43 8.00 -1.26 -1.32 116.55 116.68 1a48 n ASP 9 Ca 0.17 -1.01 -0.15 0.00 0.71 0.00 0.00 54.79 54.50 1a48 n ASP 9 Cb 0.57 -2.75 -0.06 0.00 -0.02 0.00 0.00 41.12 38.86 1a48 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a48 n GLY 10 N -1.38 1.44 0.34 0.44 0.00 -1.26 -4.91 105.19 99.86 1a48 n GLY 10 Ca 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1a48 n GLY 10 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a48 h ILE 11 N 0.00 1.22 -4.07 -0.61 2.04 -1.64 -3.41 117.51 111.04 1a48 h ILE 11 Ca -0.31 -0.59 -0.42 0.00 1.00 0.00 0.00 64.86 64.53 1a48 h ILE 11 Cb 1.00 0.25 -0.27 0.00 -0.74 0.00 0.00 36.82 37.06 1a48 h ILE 11 CO 0.45 0.26 -0.79 -0.76 0.00 0.00 0.00 178.15 177.31 1a48 s LEU 12 N -9.72 2.08 0.36 1.44 1.02 -1.26 -5.09 118.68 107.50 1a48 s LEU 12 Ca -0.11 -0.29 -0.26 0.00 0.02 0.00 0.00 54.13 53.49 1a48 s LEU 12 Cb 0.17 -0.55 -0.09 0.00 0.02 0.00 0.00 46.19 45.73 1a48 s LEU 12 CO 0.80 0.09 1.08 -2.16 0.02 0.00 0.00 176.35 176.18 1a48 s PRO 13 N -0.58 4.31 -0.03 1.29 0.04 -1.26 -4.89 135.00 133.89 1a48 s PRO 13 Ca 0.03 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 1a48 s PRO 13 Cb -0.06 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1a48 s PRO 13 CO 0.00 -0.04 0.93 -1.17 0.04 0.00 0.00 177.00 176.76 1a48 s LEU 14 N -2.21 4.34 -0.19 -3.56 0.20 -1.26 -1.70 118.68 114.30 1a48 s LEU 14 Ca 0.53 1.55 -0.16 0.00 0.69 0.00 0.00 54.13 56.74 1a48 s LEU 14 Cb -0.27 -3.48 -0.21 0.00 -0.43 0.00 0.00 46.19 41.81 1a48 s LEU 14 CO 0.34 -0.26 0.20 0.52 -0.29 0.00 0.00 176.35 176.86 1a48 n VAL 15 N 3.97 1.61 -3.53 1.68 0.31 0.12 -4.89 118.33 117.59 1a48 n VAL 15 Ca 0.05 -0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.00 1a48 n VAL 15 Cb 0.51 -1.92 -0.04 0.00 -0.91 0.00 0.00 33.84 31.48 1a48 n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a48 s ALA 16 N -2.44 -1.84 -0.29 3.52 0.00 -1.10 -5.01 121.76 114.60 1a48 s ALA 16 Ca -0.28 1.29 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1a48 s ALA 16 Cb 0.07 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1a48 s ALA 16 CO 0.64 -0.46 -0.04 1.03 0.00 0.00 0.00 175.76 176.93 1a48 s ARG 17 N -1.85 2.32 0.00 0.00 0.52 -1.26 -1.17 118.95 117.51 1a48 s ARG 17 Ca -0.02 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1a48 s ARG 17 Cb -0.01 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1a48 s ARG 17 CO -0.00 -0.61 0.00 0.41 0.02 0.00 0.00 175.30 175.12 1a48 n GLY 18 N 4.53 0.63 0.25 -3.53 0.00 0.18 -4.98 105.19 102.27 1a48 n GLY 18 Ca -0.13 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 43.96 1a48 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a48 h LYS 19 N 0.00 0.82 0.00 1.61 1.79 -2.01 -3.38 116.57 115.39 1a48 h LYS 19 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1a48 h LYS 19 Cb 0.00 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.47 1a48 h LYS 19 CO 0.00 0.54 -0.89 0.28 -1.08 0.00 0.00 179.45 178.30 1a48 n VAL 20 N -4.65 0.00 -4.10 0.50 0.31 -1.26 -4.73 118.33 104.40 1a48 n VAL 20 Ca 0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.02 1a48 n VAL 20 Cb 0.02 -0.80 -0.08 0.00 -0.91 0.00 0.00 33.84 32.07 1a48 n VAL 20 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1a48 s ARG 21 N -1.89 3.41 -0.20 5.55 3.00 -1.26 -1.41 118.95 126.14 1a48 s ARG 21 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 55.73 55.39 1a48 s ARG 21 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 34.95 31.88 1a48 s ARG 21 CO 0.00 0.62 -0.00 -0.51 0.00 0.00 0.00 175.30 175.41 1a48 s ASP 22 N -0.62 4.78 -0.15 0.23 1.01 -0.66 0.51 116.67 121.77 1a48 s ASP 22 Ca 0.11 -0.22 0.01 0.00 0.71 0.00 0.00 52.55 53.16 1a48 s ASP 22 Cb -0.12 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 42.00 1a48 s ASP 22 CO 0.02 0.06 -0.16 -0.63 0.21 0.00 0.00 175.17 174.66 1a48 s ILE 23 N 1.05 2.56 0.18 0.77 1.01 -0.32 -0.62 121.20 125.83 1a48 s ILE 23 Ca 0.02 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.95 1a48 s ILE 23 Cb -0.14 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1a48 s ILE 23 CO 0.01 0.52 -0.07 -0.31 0.00 0.00 0.00 174.94 175.09 1a48 s TYR 24 N 0.81 2.69 -0.22 3.97 1.51 -0.57 -0.70 117.35 124.84 1a48 s TYR 24 Ca -0.06 -0.20 -0.13 0.00 -1.01 0.00 0.00 57.07 55.68 1a48 s TYR 24 Cb -0.15 -1.31 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 1a48 s TYR 24 CO -0.00 0.51 0.26 -2.00 -1.11 0.00 0.00 175.55 173.21 1a48 s GLU 25 N -2.84 4.11 -0.18 -0.62 2.12 -0.69 -0.53 118.70 120.07 1a48 s GLU 25 Ca 0.25 -0.07 -0.18 0.00 0.36 0.00 0.00 54.97 55.33 1a48 s GLU 25 Cb -0.09 -3.54 -0.21 0.00 0.26 0.00 0.00 34.13 30.55 1a48 s GLU 25 CO 0.16 0.02 0.29 0.28 -0.54 0.00 0.00 175.26 175.47 1a48 h VAL 26 N 5.03 0.89 -2.12 3.70 2.07 -1.29 -3.37 116.25 121.15 1a48 h VAL 26 Ca -0.37 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 64.90 1a48 h VAL 26 Cb 1.17 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1a48 h VAL 26 CO 0.68 0.47 0.01 -0.90 0.02 0.00 0.00 177.57 177.86 1a48 n ASP 27 N -4.20 -0.17 0.16 0.57 5.68 -1.13 -4.99 116.55 112.47 1a48 n ASP 27 Ca -0.31 -1.15 0.14 0.00 -0.50 0.00 0.00 54.79 52.97 1a48 n ASP 27 Cb 0.77 0.29 0.70 0.00 -1.14 0.00 0.00 41.12 41.75 1a48 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a48 h ALA 28 N 1.81 2.13 -0.03 2.12 0.00 -2.04 -2.98 119.26 120.27 1a48 h ALA 28 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a48 h ALA 28 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1a48 h ALA 28 CO 0.04 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.42 1a48 n GLY 29 N -1.54 3.54 2.94 0.00 0.00 -1.26 -4.97 105.19 103.90 1a48 n GLY 29 Ca 0.02 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1a48 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a48 s THR 30 N -1.58 0.40 0.30 2.61 2.01 -1.13 -1.32 115.64 116.94 1a48 s THR 30 Ca 0.12 -0.19 0.11 0.00 0.31 0.00 0.00 61.69 62.04 1a48 s THR 30 Cb 0.10 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 72.19 1a48 s THR 30 CO 0.02 0.13 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.20 1a48 s LEU 31 N 0.08 2.78 -0.20 4.42 1.43 -0.27 -0.81 118.68 126.11 1a48 s LEU 31 Ca -0.01 -0.98 0.01 0.00 -1.03 0.00 0.00 54.13 52.13 1a48 s LEU 31 Cb -0.04 -1.23 0.04 0.00 0.03 0.00 0.00 46.19 44.98 1a48 s LEU 31 CO -0.00 -0.04 -0.13 -0.22 0.23 0.00 0.00 176.35 176.19 1a48 s LEU 32 N -3.58 2.31 -0.30 1.79 2.96 0.31 -1.72 118.68 120.44 1a48 s LEU 32 Ca 0.31 -0.85 -0.14 0.00 -0.22 0.00 0.00 54.13 53.23 1a48 s LEU 32 Cb -0.03 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 1a48 s LEU 32 CO 0.17 -0.11 0.32 -0.36 -1.32 0.00 0.00 176.35 175.04 1a48 s PHE 33 N 1.36 3.23 -0.29 5.38 0.40 0.19 -1.51 117.98 126.74 1a48 s PHE 33 Ca -0.00 0.15 -0.07 0.00 -0.60 0.00 0.00 56.93 56.41 1a48 s PHE 33 Cb -0.16 -2.56 0.00 0.00 0.51 0.00 0.00 43.02 40.82 1a48 s PHE 33 CO -0.09 -0.29 0.08 0.08 0.70 0.00 0.00 175.22 175.69 1a48 s VAL 34 N 1.96 4.01 -0.31 -0.44 1.01 0.21 -1.52 120.40 125.32 1a48 s VAL 34 Ca 0.11 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1a48 s VAL 34 Cb -0.16 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1a48 s VAL 34 CO 0.11 0.13 0.86 0.00 0.00 0.00 0.00 175.10 176.20 1a48 s ALA 35 N 1.52 3.53 0.77 5.51 0.00 0.20 -1.65 121.76 131.62 1a48 s ALA 35 Ca 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 1a48 s ALA 35 Cb -0.17 -3.40 0.12 0.00 0.00 0.00 0.00 23.12 19.68 1a48 s ALA 35 CO 0.02 -1.27 0.79 0.25 0.00 0.00 0.00 175.76 175.56 1a48 n THR 36 N 5.61 0.00 0.38 0.00 -2.24 -0.50 -4.48 114.28 113.05 1a48 n THR 36 Ca 0.06 -0.96 0.08 0.00 -2.27 0.00 0.00 64.05 60.96 1a48 n THR 36 Cb 0.48 -1.26 0.23 0.00 -2.10 0.00 0.00 70.33 67.68 1a48 n THR 36 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a48 n ASP 37 N -3.18 2.74 -4.74 3.42 8.00 0.26 -3.44 116.55 119.61 1a48 n ASP 37 Ca 0.12 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.28 1a48 n ASP 37 Cb 0.41 -0.34 0.07 0.00 -0.02 0.00 0.00 41.12 41.24 1a48 n ASP 37 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1a48 s ARG 38 N -1.32 2.49 0.01 -1.24 0.52 -1.26 -2.19 118.95 115.96 1a48 s ARG 38 Ca 0.34 1.64 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 1a48 s ARG 38 Cb 0.18 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.75 1a48 s ARG 38 CO 0.24 -1.54 -0.01 -1.50 0.02 0.00 0.00 175.30 172.50 1a48 s ILE 39 N -2.05 0.07 0.08 1.52 2.07 -1.26 -4.86 121.20 116.76 1a48 s ILE 39 Ca 0.72 -0.39 0.09 0.00 -1.41 0.00 0.00 60.65 59.67 1a48 s ILE 39 Cb -0.26 -0.13 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 1a48 s ILE 39 CO 0.42 -0.20 -0.23 -0.55 -1.91 0.00 0.00 174.94 172.46 1a48 s SER 40 N -0.61 3.48 -0.18 4.50 0.15 -1.26 -1.27 113.70 118.51 1a48 s SER 40 Ca -0.06 -0.59 -0.11 0.00 0.70 0.00 0.00 55.95 55.88 1a48 s SER 40 Cb -0.04 -0.39 0.06 0.00 -1.71 0.00 0.00 66.02 63.94 1a48 s SER 40 CO -0.00 0.22 0.45 0.00 1.20 0.00 0.00 173.24 175.11 1a48 s ALA 41 N -0.96 -1.15 -1.54 5.45 0.00 -0.33 -4.90 121.76 118.32 1a48 s ALA 41 Ca 0.14 1.58 -0.03 0.00 0.00 0.00 0.00 51.96 53.65 1a48 s ALA 41 Cb -0.10 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1a48 s ALA 41 CO 0.05 -0.27 0.36 0.66 0.00 0.00 0.00 175.76 176.56 1a48 n TYR 42 N 3.99 -1.62 -1.05 0.00 4.01 -1.26 -2.35 117.16 118.88 1a48 n TYR 42 Ca -0.21 0.31 -0.02 0.00 -0.16 0.00 0.00 57.90 57.82 1a48 n TYR 42 Cb 0.56 -4.00 -0.01 0.00 -0.31 0.00 0.00 39.34 35.58 1a48 n TYR 42 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1a48 n ASP 43 N -2.28 -3.78 -4.29 7.72 8.00 -1.26 -4.26 116.55 116.40 1a48 n ASP 43 Ca -0.15 0.05 -0.28 0.00 0.71 0.00 0.00 54.79 55.12 1a48 n ASP 43 Cb 0.63 -1.44 -0.15 0.00 -0.02 0.00 0.00 41.12 40.14 1a48 n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1a48 s VAL 44 N -1.88 1.90 -0.01 2.53 1.01 -0.99 -5.10 120.40 117.86 1a48 s VAL 44 Ca 0.00 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 60.57 1a48 s VAL 44 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1a48 s VAL 44 CO 0.00 0.37 0.60 -0.63 0.00 0.00 0.00 175.10 175.44 1a48 s ILE 45 N -0.72 4.91 0.67 2.22 1.01 -1.26 -1.18 121.20 126.85 1a48 s ILE 45 Ca 0.10 1.25 -0.12 0.00 0.00 0.00 0.00 60.65 61.88 1a48 s ILE 45 Cb -0.09 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.44 1a48 s ILE 45 CO 0.01 0.41 1.06 -0.04 0.00 0.00 0.00 174.94 176.38 1a48 s MET 46 N -0.16 3.04 0.17 2.79 -1.94 -0.40 -4.59 119.30 118.22 1a48 s MET 46 Ca 0.31 0.98 -0.06 0.00 -1.71 0.00 0.00 55.69 55.21 1a48 s MET 46 Cb -0.18 -2.00 0.06 0.00 2.01 0.00 0.00 34.83 34.72 1a48 s MET 46 CO 0.17 -1.02 1.49 0.93 -0.01 0.00 0.00 175.02 176.59 1a48 h GLU 47 N -0.50 0.69 -6.24 2.03 4.39 -1.11 -3.45 114.58 110.39 1a48 h GLU 47 Ca -0.44 -0.41 -0.50 0.00 0.34 0.00 0.00 59.36 58.35 1a48 h GLU 47 Cb 1.21 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1a48 h GLU 47 CO 0.57 1.03 -0.30 0.54 -1.16 0.00 0.00 179.01 179.69 1a48 s ASN 48 N -6.90 5.07 0.32 1.42 4.22 -1.26 -5.02 114.94 112.78 1a48 s ASN 48 Ca -0.09 -0.81 0.07 0.00 -2.14 0.00 0.00 52.86 49.89 1a48 s ASN 48 Cb 0.11 -0.26 -0.02 0.00 1.28 0.00 0.00 41.25 42.37 1a48 s ASN 48 CO 0.86 -0.87 0.36 -0.44 -2.04 0.00 0.00 177.10 174.97 1a48 s SER 49 N -4.28 5.66 -0.43 3.54 0.01 -1.26 -4.67 113.70 112.28 1a48 s SER 49 Ca 0.49 -0.30 -0.06 0.00 1.31 0.00 0.00 55.95 57.38 1a48 s SER 49 Cb -0.04 -1.19 0.10 0.00 0.21 0.00 0.00 66.02 65.10 1a48 s SER 49 CO 0.29 -0.33 0.25 -0.63 0.41 0.00 0.00 173.24 173.23 1a48 s ILE 50 N -2.21 3.76 0.01 1.44 -1.09 -0.93 -4.97 121.20 117.21 1a48 s ILE 50 Ca 0.41 -1.80 -0.36 0.00 -2.23 0.00 0.00 60.65 56.66 1a48 s ILE 50 Cb -0.08 -3.46 -0.15 0.00 -1.58 0.00 0.00 42.46 37.19 1a48 s ILE 50 CO 0.28 -0.65 1.54 -2.65 -1.23 0.00 0.00 174.94 172.23 1a48 n PRO 51 N 4.76 1.50 -1.01 2.79 -0.02 -1.26 -1.77 135.00 140.00 1a48 n PRO 51 Ca -0.06 0.55 -0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1a48 n PRO 51 Cb 0.42 -2.25 -0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1a48 n PRO 51 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a48 n GLU 52 N 3.76 -1.38 -0.21 -0.52 1.02 -1.26 -4.91 120.64 117.14 1a48 n GLU 52 Ca 0.20 0.35 0.02 0.00 -0.02 0.00 0.00 57.16 57.72 1a48 n GLU 52 Cb 0.21 -4.39 0.13 0.00 -0.02 0.00 0.00 31.44 27.37 1a48 n GLU 52 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1a48 h LYS 53 N 0.30 0.20 -0.03 3.49 3.64 -1.66 -1.49 116.57 121.03 1a48 h LYS 53 Ca -0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1a48 h LYS 53 Cb 0.70 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1a48 h LYS 53 CO 0.01 0.14 -0.31 0.78 -2.27 0.00 0.00 179.45 177.79 1a48 h GLY 54 N 0.21 0.05 0.63 5.01 0.00 -1.78 -1.27 103.07 105.92 1a48 h GLY 54 Ca 0.34 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1a48 h GLY 54 CO -0.48 0.04 -0.16 -2.22 0.00 0.00 0.00 176.54 173.72 1a48 h ILE 55 N 0.05 1.41 -0.34 2.60 2.04 -1.59 -2.39 117.51 119.28 1a48 h ILE 55 Ca 0.00 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.41 1a48 h ILE 55 Cb 0.57 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 1a48 h ILE 55 CO 0.04 0.41 0.22 -0.07 0.00 0.00 0.00 178.15 178.75 1a48 h LEU 56 N -0.23 0.37 -1.03 1.44 3.38 -1.05 -1.49 115.31 116.69 1a48 h LEU 56 Ca 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1a48 h LEU 56 Cb 0.74 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1a48 h LEU 56 CO 0.04 0.27 -0.21 -0.07 0.09 0.00 0.00 178.44 178.55 1a48 h LEU 57 N 0.44 0.43 0.09 1.67 4.07 -1.32 -0.92 115.31 119.77 1a48 h LEU 57 Ca 0.13 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1a48 h LEU 57 Cb -0.04 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.59 1a48 h LEU 57 CO -0.04 0.66 -0.05 0.74 -1.08 0.00 0.00 178.44 178.67 1a48 h THR 58 N 0.39 1.05 -0.42 0.22 2.02 -1.14 -2.10 112.91 112.94 1a48 h THR 58 Ca 0.06 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1a48 h THR 58 Cb 0.60 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1a48 h THR 58 CO 0.04 0.13 0.05 0.11 0.37 0.00 0.00 175.52 176.22 1a48 h LYS 59 N -0.37 0.65 -0.45 6.66 1.57 -1.20 0.35 116.57 123.77 1a48 h LYS 59 Ca -0.01 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 1a48 h LYS 59 Cb 0.31 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1a48 h LYS 59 CO 0.02 0.63 -0.06 1.25 -0.57 0.00 0.00 179.45 180.72 1a48 h LEU 60 N 0.62 0.84 -0.47 2.94 5.85 -1.03 -1.68 115.31 122.38 1a48 h LEU 60 Ca 0.13 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1a48 h LEU 60 Cb 0.32 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1a48 h LEU 60 CO 0.01 0.98 0.16 0.28 -0.34 0.00 0.00 178.44 179.52 1a48 h SER 61 N 0.68 0.67 -0.79 1.25 0.02 -0.98 -2.13 113.55 112.28 1a48 h SER 61 Ca 0.12 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1a48 h SER 61 Cb 0.59 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1a48 h SER 61 CO 0.04 0.69 0.52 -0.33 -1.14 0.00 0.00 176.83 176.60 1a48 h GLU 62 N 0.62 0.93 -0.17 3.45 5.08 -0.78 -1.63 114.58 122.09 1a48 h GLU 62 Ca 0.15 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1a48 h GLU 62 Cb 0.25 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1a48 h GLU 62 CO -0.01 0.62 0.10 0.35 -1.00 0.00 0.00 179.01 179.07 1a48 h PHE 63 N 0.96 0.23 -0.70 4.33 3.57 -0.89 -2.86 116.94 121.59 1a48 h PHE 63 Ca 0.31 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 1a48 h PHE 63 Cb 0.05 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1a48 h PHE 63 CO -0.00 0.20 0.22 -1.49 -2.23 0.00 0.00 178.31 175.00 1a48 h TRP 64 N 0.19 1.12 -0.46 0.41 4.06 -1.00 0.16 115.95 120.43 1a48 h TRP 64 Ca 0.06 -0.11 0.03 0.00 2.06 0.00 0.00 58.89 60.94 1a48 h TRP 64 Cb 0.04 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 27.84 1a48 h TRP 64 CO -0.05 0.88 0.24 0.74 -3.56 0.00 0.00 178.44 176.69 1a48 h PHE 65 N 1.04 0.43 -0.41 0.49 0.04 -1.22 -1.29 116.94 116.02 1a48 h PHE 65 Ca 0.23 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.90 1a48 h PHE 65 Cb 0.30 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1a48 h PHE 65 CO 0.02 0.22 -0.20 0.87 -0.60 0.00 0.00 178.31 178.63 1a48 h LYS 66 N 0.47 0.87 -0.63 1.51 1.57 -1.25 -2.52 116.57 116.59 1a48 h LYS 66 Ca 0.20 -0.38 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1a48 h LYS 66 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1a48 h LYS 66 CO -0.13 1.02 0.41 0.35 -0.57 0.00 0.00 179.45 180.54 1a48 h PHE 67 N 0.69 0.64 -0.55 -1.35 3.57 -0.18 -2.75 116.94 117.01 1a48 h PHE 67 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1a48 h PHE 67 Cb 0.76 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1a48 h PHE 67 CO 0.06 0.35 0.00 1.28 -2.23 0.00 0.00 178.31 177.76 1a48 n LEU 68 N -4.47 4.64 0.30 0.59 4.77 -0.53 -4.63 117.00 117.66 1a48 n LEU 68 Ca 0.09 -2.57 0.18 0.00 -0.03 0.00 0.00 56.01 53.68 1a48 n LEU 68 Cb 0.21 -0.56 0.89 0.00 -2.33 0.00 0.00 43.42 41.63 1a48 n LEU 68 CO 0.34 0.76 1.06 0.77 -1.33 0.00 0.00 177.39 178.99 1a48 h SER 69 N 3.55 0.00 0.22 -1.43 4.64 -1.13 0.39 113.55 119.79 1a48 h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a48 h SER 69 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1a48 h SER 69 CO 0.25 0.04 -0.81 0.59 -0.87 0.00 0.00 176.83 176.03 1a48 n ASN 70 N -3.26 0.77 -0.04 4.97 3.02 -1.26 -4.17 115.26 115.29 1a48 n ASN 70 Ca -0.01 -0.65 -0.05 0.00 -0.03 0.00 0.00 54.58 53.83 1a48 n ASN 70 Cb 0.20 0.69 -0.14 0.00 -0.61 0.00 0.00 39.78 39.93 1a48 n ASN 70 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1a48 n ASP 71 N -1.53 0.44 -3.56 6.41 8.00 0.04 -4.99 116.55 121.35 1a48 n ASP 71 Ca 0.04 0.20 -0.16 0.00 0.71 0.00 0.00 54.79 55.58 1a48 n ASP 71 Cb 0.34 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 41.98 1a48 n ASP 71 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1a48 s VAL 72 N -2.72 0.00 0.58 2.53 0.11 -0.67 -5.10 120.40 115.12 1a48 s VAL 72 Ca -0.07 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.83 1a48 s VAL 72 Cb 0.08 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1a48 s VAL 72 CO 0.83 0.00 1.04 -0.13 -3.33 0.00 0.00 175.10 173.51 1a48 s ARG 73 N -0.59 3.49 0.33 1.54 0.52 -1.26 -4.45 118.95 118.53 1a48 s ARG 73 Ca -0.07 1.10 0.03 0.00 -0.52 0.00 0.00 55.73 56.27 1a48 s ARG 73 Cb -0.02 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 1a48 s ARG 73 CO 0.06 -0.66 0.11 0.54 0.02 0.00 0.00 175.30 175.37 1a48 s ASN 74 N -2.98 2.06 0.00 0.23 2.20 -1.26 -0.94 114.94 114.25 1a48 s ASN 74 Ca 0.62 -1.50 0.25 0.00 -0.94 0.00 0.00 52.86 51.29 1a48 s ASN 74 Cb -0.14 0.23 1.00 0.00 -2.00 0.00 0.00 41.25 40.35 1a48 s ASN 74 CO 0.37 -0.78 1.71 0.00 -2.94 0.00 0.00 177.10 175.45 1a48 n HIS 75 N -0.68 0.08 -1.81 1.54 1.44 -0.83 -4.85 115.22 110.10 1a48 n HIS 75 Ca -0.02 -0.04 -0.41 0.00 -2.01 0.00 0.00 57.72 55.24 1a48 n HIS 75 Cb 0.66 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.75 1a48 n HIS 75 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1a48 s LEU 76 N -1.83 4.34 0.05 2.39 1.43 -1.26 -0.33 118.68 123.47 1a48 s LEU 76 Ca 0.36 2.94 -0.30 0.00 -1.03 0.00 0.00 54.13 56.10 1a48 s LEU 76 Cb 0.19 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 1a48 s LEU 76 CO 0.31 -0.87 1.10 -0.69 0.23 0.00 0.00 176.35 176.42 1a48 s VAL 77 N -0.30 4.35 -0.42 -1.59 1.01 -0.30 -4.75 120.40 118.41 1a48 s VAL 77 Ca 0.60 1.72 -0.28 0.00 0.00 0.00 0.00 61.98 64.03 1a48 s VAL 77 Cb -0.47 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 31.83 1a48 s VAL 77 CO 0.51 0.16 1.03 -1.81 0.00 0.00 0.00 175.10 174.99 1a48 s ASP 78 N 0.88 6.68 -0.11 3.32 1.01 -1.26 -4.94 116.67 122.25 1a48 s ASP 78 Ca 0.55 0.54 -0.28 0.00 0.71 0.00 0.00 52.55 54.07 1a48 s ASP 78 Cb -0.26 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.15 1a48 s ASP 78 CO 0.29 -1.05 0.95 -0.63 0.21 0.00 0.00 175.17 174.95 1a48 s ILE 79 N 3.93 4.82 0.72 0.77 -1.09 -1.26 -5.03 121.20 124.07 1a48 s ILE 79 Ca 0.43 1.94 -0.16 0.00 -2.23 0.00 0.00 60.65 60.63 1a48 s ILE 79 Cb -0.10 -4.27 0.03 0.00 -1.58 0.00 0.00 42.46 36.55 1a48 s ILE 79 CO 0.24 0.03 1.23 0.00 -1.23 0.00 0.00 174.94 175.21 1a48 s ALA 80 N 1.89 2.15 0.18 9.38 0.00 -1.26 -4.91 121.76 129.19 1a48 s ALA 80 Ca 0.46 0.96 -0.33 0.00 0.00 0.00 0.00 51.96 53.05 1a48 s ALA 80 Cb -0.18 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.31 1a48 s ALA 80 CO 0.18 -1.86 1.59 -2.30 0.00 0.00 0.00 175.76 173.37 1a48 n PRO 81 N -2.59 2.27 -0.95 0.00 -0.02 -1.26 -1.58 135.00 130.86 1a48 n PRO 81 Ca 0.14 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1a48 n PRO 81 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1a48 n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a48 n GLY 82 N 3.35 0.79 3.71 -1.23 0.00 -1.26 -5.03 105.19 105.52 1a48 n GLY 82 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1a48 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a48 s LYS 83 N -0.05 2.45 0.37 1.61 -0.14 -0.62 -5.15 119.74 118.22 1a48 s LYS 83 Ca 0.00 -1.38 0.04 0.00 -1.36 0.00 0.00 55.97 53.26 1a48 s LYS 83 Cb 0.00 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 1a48 s LYS 83 CO 0.00 0.29 0.08 0.95 -0.76 0.00 0.00 175.35 175.91 1a48 s THR 84 N -2.32 0.93 0.44 2.17 -4.23 -1.26 -4.81 115.64 106.57 1a48 s THR 84 Ca 0.34 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.98 1a48 s THR 84 Cb -0.05 -2.56 0.32 0.00 1.34 0.00 0.00 72.50 71.54 1a48 s THR 84 CO 0.22 0.00 2.01 -0.29 -0.54 0.00 0.00 174.62 176.02 1a48 h ILE 85 N 1.92 0.93 0.00 2.99 2.10 -1.98 -1.87 117.51 121.60 1a48 h ILE 85 Ca -0.39 -0.13 -0.02 0.00 1.08 0.00 0.00 64.86 65.40 1a48 h ILE 85 Cb 1.26 0.51 -0.00 0.00 -1.09 0.00 0.00 36.82 37.50 1a48 h ILE 85 CO 0.64 0.07 -0.09 -0.26 -1.08 0.00 0.00 178.15 177.44 1a48 h PHE 86 N 0.38 0.00 0.00 2.19 0.04 -1.96 -1.24 116.94 116.35 1a48 h PHE 86 Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1a48 h PHE 86 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1a48 h PHE 86 CO -0.00 0.09 0.00 -0.44 -0.60 0.00 0.00 178.31 177.35 1a48 h ASP 87 N 0.00 0.00 -0.49 2.17 3.32 -1.74 -3.15 116.42 116.53 1a48 h ASP 87 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a48 h ASP 87 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1a48 h ASP 87 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 1a48 n TYR 88 N -2.80 0.64 -4.38 4.55 4.02 -0.48 -4.96 117.16 113.76 1a48 n TYR 88 Ca 0.02 -0.42 -0.25 0.00 -0.01 0.00 0.00 57.90 57.24 1a48 n TYR 88 Cb 0.33 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.53 1a48 n TYR 88 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1a48 s LEU 89 N -1.09 2.42 0.31 7.72 1.43 -1.16 -5.10 118.68 123.21 1a48 s LEU 89 Ca 0.36 -0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 1a48 s LEU 89 Cb 0.19 -1.03 -0.13 0.00 0.03 0.00 0.00 46.19 45.25 1a48 s LEU 89 CO 0.26 0.06 1.21 -2.65 0.23 0.00 0.00 176.35 175.46 1a48 n PRO 90 N 0.39 1.84 -0.35 1.29 -0.02 -1.26 -4.86 135.00 132.02 1a48 n PRO 90 Ca -0.14 0.65 0.25 0.00 -2.02 0.00 0.00 63.50 62.24 1a48 n PRO 90 Cb 0.56 -2.17 0.51 0.00 -0.02 0.00 0.00 33.50 32.38 1a48 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a48 h ALA 91 N 2.61 2.19 -0.01 3.55 0.00 -1.98 -1.00 119.26 124.62 1a48 h ALA 91 Ca -0.44 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1a48 h ALA 91 Cb 1.30 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1a48 h ALA 91 CO 0.64 -0.71 0.01 -0.22 0.00 0.00 0.00 179.25 178.96 1a48 h LYS 92 N 0.34 0.00 0.00 0.00 1.63 -1.98 -1.00 116.57 115.56 1a48 h LYS 92 Ca 0.69 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.49 1a48 h LYS 92 Cb 1.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.36 1a48 h LYS 92 CO -0.44 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 176.84 1a48 n LEU 93 N -4.28 0.00 -0.20 5.20 4.77 -0.38 -2.35 117.00 119.76 1a48 n LEU 93 Ca -0.03 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 1a48 n LEU 93 Cb 0.09 -0.42 0.46 0.00 -2.33 0.00 0.00 43.42 41.22 1a48 n LEU 93 CO 0.32 -0.12 0.73 -1.20 -1.33 0.00 0.00 177.39 175.78 1a48 n SER 94 N -1.42 0.84 -4.77 -1.43 7.64 -0.38 -3.00 113.62 111.11 1a48 n SER 94 Ca 0.07 -0.78 -0.39 0.00 1.01 0.00 0.00 58.87 58.77 1a48 n SER 94 Cb 0.21 0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.46 1a48 n SER 94 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1a48 s GLU 95 N -2.49 4.06 0.28 1.43 2.02 -0.99 -4.69 118.70 118.32 1a48 s GLU 95 Ca 0.26 2.03 -0.04 0.00 0.02 0.00 0.00 54.97 57.24 1a48 s GLU 95 Cb 0.19 -2.77 0.58 0.00 0.10 0.00 0.00 34.13 32.24 1a48 s GLU 95 CO 0.50 -0.38 1.58 -1.35 0.02 0.00 0.00 175.26 175.64 1a48 h PRO 96 N 2.77 0.02 0.00 0.39 0.11 -1.90 -0.80 132.00 132.59 1a48 h PRO 96 Ca -0.49 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1a48 h PRO 96 Cb 1.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1a48 h PRO 96 CO 0.63 0.01 -0.11 1.57 -0.21 0.00 0.00 178.00 179.90 1a48 h LYS 97 N 0.02 0.00 0.02 1.05 2.10 -1.94 -2.15 116.57 115.67 1a48 h LYS 97 Ca 0.52 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.78 1a48 h LYS 97 Cb 0.95 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.22 1a48 h LYS 97 CO -0.90 0.11 -2.40 0.66 -2.00 0.00 0.00 179.45 174.92 1a48 n TYR 98 N -3.83 0.21 -0.21 0.07 4.01 -0.43 -4.31 117.16 112.66 1a48 n TYR 98 Ca -0.02 0.04 0.06 0.00 -0.16 0.00 0.00 57.90 57.82 1a48 n TYR 98 Cb 0.20 -1.03 0.32 0.00 -0.31 0.00 0.00 39.34 38.53 1a48 n TYR 98 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1a48 h LYS 99 N 0.01 0.80 0.00 -0.72 3.64 -1.11 -0.37 116.57 118.82 1a48 h LYS 99 Ca -0.55 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.72 1a48 h LYS 99 Cb 1.93 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.56 1a48 h LYS 99 CO -0.06 0.53 -0.27 1.79 -2.27 0.00 0.00 179.45 179.17 1a48 h THR 100 N 0.82 0.71 0.00 1.00 1.35 -1.59 -0.76 112.91 114.44 1a48 h THR 100 Ca 0.33 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1a48 h THR 100 Cb 0.23 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1a48 h THR 100 CO -0.11 0.27 -0.23 1.56 -0.25 0.00 0.00 175.52 176.76 1a48 h GLN 101 N 0.00 0.00 0.00 4.72 4.20 -1.26 -3.38 115.11 119.39 1a48 h GLN 101 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 1a48 h GLN 101 Cb 0.75 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1a48 h GLN 101 CO 0.04 0.00 -2.03 1.28 -0.67 0.00 0.00 178.83 177.44 1a48 n LEU 102 N -2.90 0.55 -4.75 1.46 4.77 -0.99 -4.95 117.00 110.19 1a48 n LEU 102 Ca 0.03 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1a48 n LEU 102 Cb 0.52 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1a48 n LEU 102 CO 0.35 0.45 1.24 1.21 -1.33 0.00 0.00 177.39 179.31 1a48 n GLU 103 N -2.64 2.70 -0.57 3.23 2.13 -0.33 -2.95 120.64 122.21 1a48 n GLU 103 Ca -0.26 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1a48 n GLU 103 Cb 0.96 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.93 1a48 n GLU 103 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1a48 n ASP 104 N 2.16 0.00 -0.13 4.31 8.00 -1.26 -4.74 116.55 124.88 1a48 n ASP 104 Ca 0.09 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.64 1a48 n ASP 104 Cb 0.37 -1.33 0.07 0.00 -0.02 0.00 0.00 41.12 40.21 1a48 n ASP 104 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1a48 n ARG 105 N -2.00 1.32 -5.15 -1.24 1.85 -1.15 -4.56 116.66 105.72 1a48 n ARG 105 Ca 0.00 -1.90 -0.29 0.00 -1.00 0.00 0.00 57.85 54.65 1a48 n ARG 105 Cb 0.00 -1.14 -0.16 0.00 -1.05 0.00 0.00 32.46 30.11 1a48 n ARG 105 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1a48 s SER 106 N -1.92 2.77 -0.06 2.89 0.01 -1.21 -0.63 113.70 115.55 1a48 s SER 106 Ca 0.17 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 57.02 1a48 s SER 106 Cb 0.15 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1a48 s SER 106 CO 0.02 0.26 -0.15 -0.76 0.41 0.00 0.00 173.24 173.01 1a48 s LEU 107 N -0.36 1.81 -0.31 2.44 1.43 -0.58 -4.98 118.68 118.13 1a48 s LEU 107 Ca 0.04 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 1a48 s LEU 107 Cb -0.11 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 1a48 s LEU 107 CO 0.01 0.10 0.37 -0.22 0.23 0.00 0.00 176.35 176.83 1a48 s LEU 108 N 0.37 4.22 0.07 1.79 2.96 -1.26 -0.63 118.68 126.19 1a48 s LEU 108 Ca -0.11 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.88 1a48 s LEU 108 Cb -0.14 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 1a48 s LEU 108 CO 0.04 -0.26 -0.13 0.68 -1.32 0.00 0.00 176.35 175.35 1a48 s VAL 109 N 2.05 1.04 0.21 1.68 -7.23 -0.70 -1.15 120.40 116.32 1a48 s VAL 109 Ca 0.13 -1.29 -0.23 0.00 -1.81 0.00 0.00 61.98 58.79 1a48 s VAL 109 Cb -0.16 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.67 1a48 s VAL 109 CO 0.11 -0.25 0.78 -1.00 -0.31 0.00 0.00 175.10 174.42 1a48 s HIS 110 N -1.31 3.76 0.19 2.82 3.76 0.55 -1.11 115.29 123.95 1a48 s HIS 110 Ca -0.03 1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 56.13 1a48 s HIS 110 Cb -0.10 -2.72 -0.08 0.00 1.11 0.00 0.00 32.58 30.79 1a48 s HIS 110 CO 0.02 0.39 1.12 0.15 -0.85 0.00 0.00 174.74 175.57 1a48 s LYS 111 N -1.65 4.58 0.10 1.40 1.02 -0.43 -4.85 119.74 119.90 1a48 s LYS 111 Ca 0.41 1.75 0.02 0.00 0.02 0.00 0.00 55.97 58.17 1a48 s LYS 111 Cb -0.19 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1a48 s LYS 111 CO 0.23 0.06 -0.07 -1.01 -0.92 0.00 0.00 175.35 173.65 1a48 s HIS 112 N -0.30 0.89 0.03 3.18 3.76 -1.26 -4.96 115.29 116.63 1a48 s HIS 112 Ca 0.49 -0.91 -0.30 0.00 -0.15 0.00 0.00 55.06 54.19 1a48 s HIS 112 Cb -0.30 -0.51 -0.06 0.00 1.11 0.00 0.00 32.58 32.81 1a48 s HIS 112 CO 0.36 -0.15 1.42 0.21 -0.85 0.00 0.00 174.74 175.73 1a48 s LYS 113 N -3.79 4.29 0.46 1.40 2.47 -1.25 -4.94 119.74 118.37 1a48 s LYS 113 Ca 0.11 2.02 -0.18 0.00 -1.56 0.00 0.00 55.97 56.36 1a48 s LYS 113 Cb 0.05 -3.50 -0.09 0.00 -1.46 0.00 0.00 37.83 32.83 1a48 s LYS 113 CO -0.05 -0.55 0.94 -0.51 0.16 0.00 0.00 175.35 175.35 1a48 s LEU 114 N 2.11 3.80 -0.38 5.43 1.43 -1.26 -2.25 118.68 127.55 1a48 s LEU 114 Ca 0.65 1.58 -0.07 0.00 -1.03 0.00 0.00 54.13 55.26 1a48 s LEU 114 Cb -0.33 -4.47 0.06 0.00 0.03 0.00 0.00 46.19 41.48 1a48 s LEU 114 CO 0.28 -0.46 0.18 -0.63 0.23 0.00 0.00 176.35 175.95 1a48 s ILE 115 N -2.38 3.94 -1.01 -0.59 1.01 -0.87 -4.85 121.20 116.45 1a48 s ILE 115 Ca 0.60 -1.33 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 1a48 s ILE 115 Cb -0.10 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 1a48 s ILE 115 CO 0.23 -0.37 2.13 -0.81 0.00 0.00 0.00 174.94 176.12 1a48 n PRO 116 N 4.84 2.11 -3.75 2.79 -0.04 -1.26 -4.65 135.00 135.04 1a48 n PRO 116 Ca -0.10 -1.88 -0.13 0.00 -0.04 0.00 0.00 63.50 61.34 1a48 n PRO 116 Cb 0.44 -2.82 -0.10 0.00 -0.04 0.00 0.00 33.50 30.97 1a48 n PRO 116 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1a48 s LEU 117 N 0.91 0.61 -0.44 1.53 2.96 -1.26 -4.98 118.68 118.01 1a48 s LEU 117 Ca 0.51 0.71 -0.22 0.00 -0.22 0.00 0.00 54.13 54.91 1a48 s LEU 117 Cb 0.13 1.26 0.02 0.00 0.50 0.00 0.00 46.19 48.11 1a48 s LEU 117 CO 0.02 -0.14 0.73 -1.61 -1.32 0.00 0.00 176.35 174.03 1a48 s GLU 118 N 0.12 3.37 -0.89 1.98 0.41 -0.66 -4.73 118.70 118.29 1a48 s GLU 118 Ca -0.01 -0.19 -0.17 0.00 -0.41 0.00 0.00 54.97 54.19 1a48 s GLU 118 Cb -0.03 -3.94 0.16 0.00 -1.78 0.00 0.00 34.13 28.54 1a48 s GLU 118 CO 0.01 -1.07 1.01 0.08 -0.49 0.00 0.00 175.26 174.80 1a48 s VAL 119 N 3.12 4.99 -0.13 2.63 1.01 -0.48 -1.60 120.40 129.93 1a48 s VAL 119 Ca 0.27 -1.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.25 1a48 s VAL 119 Cb -0.13 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 1a48 s VAL 119 CO 0.21 -1.36 0.42 -0.63 0.00 0.00 0.00 175.10 173.74 1a48 s ILE 120 N 1.94 5.22 -0.14 2.22 1.01 -1.25 -0.46 121.20 129.73 1a48 s ILE 120 Ca 0.28 0.83 0.02 0.00 0.00 0.00 0.00 60.65 61.78 1a48 s ILE 120 Cb -0.07 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1a48 s ILE 120 CO -0.09 0.34 -0.21 -0.69 0.00 0.00 0.00 174.94 174.29 1a48 s VAL 121 N 0.61 2.14 -0.19 2.92 1.01 -0.90 -1.38 120.40 124.62 1a48 s VAL 121 Ca 0.23 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1a48 s VAL 121 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1a48 s VAL 121 CO 0.08 0.55 -0.05 -0.13 0.00 0.00 0.00 175.10 175.55 1a48 s ARG 122 N 0.82 3.50 -0.09 2.72 0.52 -0.16 -1.65 118.95 124.62 1a48 s ARG 122 Ca -0.07 -0.59 0.20 0.00 -0.52 0.00 0.00 55.73 54.75 1a48 s ARG 122 Cb -0.15 -2.94 -0.30 0.00 0.52 0.00 0.00 34.95 32.08 1a48 s ARG 122 CO -0.02 0.02 0.32 0.41 0.02 0.00 0.00 175.30 176.06 1a48 n GLY 123 N 4.17 -0.96 3.08 -3.53 0.00 -0.36 -1.25 105.19 106.34 1a48 n GLY 123 Ca -0.18 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 1a48 n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a48 s TYR 124 N -3.11 0.88 -0.39 1.61 1.51 -1.05 -1.41 117.35 115.40 1a48 s TYR 124 Ca -0.08 -0.36 -0.24 0.00 -1.01 0.00 0.00 57.07 55.38 1a48 s TYR 124 Cb 0.11 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.45 1a48 s TYR 124 CO 0.84 -0.01 0.84 -1.50 -1.11 0.00 0.00 175.55 174.61 1a48 s ILE 125 N -0.91 4.65 0.33 2.71 2.07 -0.73 -4.84 121.20 124.48 1a48 s ILE 125 Ca -0.03 0.90 -0.18 0.00 -1.41 0.00 0.00 60.65 59.93 1a48 s ILE 125 Cb -0.08 -4.28 0.06 0.00 0.13 0.00 0.00 42.46 38.29 1a48 s ILE 125 CO 0.01 -0.54 0.85 0.28 -1.91 0.00 0.00 174.94 173.63 1a48 s THR 126 N 3.29 0.00 0.00 4.00 -1.32 -1.26 -0.92 115.64 119.43 1a48 s THR 126 Ca 0.34 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 1a48 s THR 126 Cb -0.12 -2.82 0.00 0.00 -1.51 0.00 0.00 72.50 68.04 1a48 s THR 126 CO 0.19 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1a48 n GLY 127 N -0.56 3.14 0.24 6.08 0.00 -1.26 -2.38 105.19 110.45 1a48 n GLY 127 Ca -0.07 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1a48 n GLY 127 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a48 h SER 128 N 2.30 0.00 -0.50 1.61 4.64 -2.00 -2.67 113.55 116.93 1a48 h SER 128 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1a48 h SER 128 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1a48 h SER 128 CO 0.00 0.18 -0.04 0.00 -0.87 0.00 0.00 176.83 176.11 1a48 h ALA 129 N 1.82 0.67 -0.46 5.18 0.00 -1.88 -1.59 119.26 123.00 1a48 h ALA 129 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1a48 h ALA 129 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1a48 h ALA 129 CO 0.02 0.52 -0.20 2.35 0.00 0.00 0.00 179.25 181.94 1a48 h TRP 130 N 0.76 1.09 -0.55 0.00 2.91 -1.12 -1.31 115.95 117.72 1a48 h TRP 130 Ca 0.14 -0.27 -0.04 0.00 1.13 0.00 0.00 58.89 59.85 1a48 h TRP 130 Cb 0.57 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 1a48 h TRP 130 CO 0.04 1.07 0.17 0.87 -1.03 0.00 0.00 178.44 179.57 1a48 h LYS 131 N 0.79 0.86 -0.02 2.65 6.56 -1.47 -1.37 116.57 124.58 1a48 h LYS 131 Ca 0.11 -0.19 -0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1a48 h LYS 131 Cb 0.78 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 32.31 1a48 h LYS 131 CO 0.06 0.78 0.00 1.49 -2.06 0.00 0.00 179.45 179.73 1a48 h GLU 132 N 0.77 0.03 -0.81 3.15 4.81 -1.15 -3.05 114.58 118.34 1a48 h GLU 132 Ca 0.18 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.52 1a48 h GLU 132 Cb 0.28 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1a48 h GLU 132 CO -0.01 0.33 0.42 -0.92 -0.73 0.00 0.00 179.01 178.10 1a48 h TYR 133 N -0.27 0.75 -0.91 0.92 3.20 -0.53 -1.59 116.97 118.54 1a48 h TYR 133 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1a48 h TYR 133 Cb 0.31 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 1a48 h TYR 133 CO 0.03 0.23 0.53 0.28 -1.64 0.00 0.00 178.16 177.59 1a48 h VAL 134 N 0.65 1.25 0.20 1.81 2.07 -1.26 -0.13 116.25 120.84 1a48 h VAL 134 Ca 0.42 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1a48 h VAL 134 Cb 0.52 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1a48 h VAL 134 CO -0.32 0.27 -0.10 0.11 0.02 0.00 0.00 177.57 177.56 1a48 h LYS 135 N 1.26 -0.26 -0.00 1.57 1.57 -1.23 -3.42 116.57 116.06 1a48 h LYS 135 Ca 0.32 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1a48 h LYS 135 Cb -0.02 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1a48 h LYS 135 CO -0.06 0.08 -0.00 0.25 -0.57 0.00 0.00 179.45 179.14 1a48 n THR 136 N -4.95 0.00 -1.13 -0.16 -2.24 -0.68 -5.00 114.28 100.11 1a48 n THR 136 Ca -0.07 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.18 1a48 n THR 136 Cb 0.23 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1a48 n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a48 n GLY 137 N 0.18 0.67 3.39 3.38 0.00 -0.06 -4.99 105.19 107.76 1a48 n GLY 137 Ca 0.00 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 1a48 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a48 s THR 138 N -2.15 1.54 -0.24 2.61 -4.23 -1.26 -2.69 115.64 109.23 1a48 s THR 138 Ca 0.00 -2.12 -0.01 0.00 -1.18 0.00 0.00 61.69 58.38 1a48 s THR 138 Cb 0.00 -2.35 0.07 0.00 1.34 0.00 0.00 72.50 71.56 1a48 s THR 138 CO 0.00 -0.36 0.03 -0.69 -0.54 0.00 0.00 174.62 173.05 1a48 s VAL 139 N -3.08 0.90 -1.46 2.29 1.01 -0.74 -1.91 120.40 117.41 1a48 s VAL 139 Ca 0.28 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1a48 s VAL 139 Cb 0.03 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 35.03 1a48 s VAL 139 CO 0.10 -0.30 0.62 1.41 0.00 0.00 0.00 175.10 176.93 1a48 n HIS 140 N 4.89 -1.99 -0.64 5.22 8.25 -1.26 -2.15 115.22 127.54 1a48 n HIS 140 Ca -0.08 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 1a48 n HIS 140 Cb 0.45 -4.00 0.00 0.00 1.12 0.00 0.00 29.99 27.56 1a48 n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a48 n GLY 141 N -1.45 1.46 3.70 -1.41 0.00 -1.26 -3.88 105.19 102.36 1a48 n GLY 141 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1a48 n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a48 s LEU 142 N 0.00 4.33 0.23 0.99 1.43 -0.92 -4.97 118.68 119.78 1a48 s LEU 142 Ca 0.00 1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 54.40 1a48 s LEU 142 Cb 0.00 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 1a48 s LEU 142 CO 0.00 -0.30 1.22 -0.54 0.23 0.00 0.00 176.35 176.96 1a48 s LYS 143 N 1.27 4.48 0.28 1.70 3.01 -1.26 -1.80 119.74 127.41 1a48 s LYS 143 Ca 0.50 1.96 0.10 0.00 -1.01 0.00 0.00 55.97 57.52 1a48 s LYS 143 Cb -0.20 -3.19 -0.05 0.00 -1.01 0.00 0.00 37.83 33.37 1a48 s LYS 143 CO 0.25 -0.08 -0.14 -0.65 0.51 0.00 0.00 175.35 175.24 1a48 s GLN 144 N -0.69 1.61 0.63 1.68 -1.52 -1.10 -4.94 119.66 115.34 1a48 s GLN 144 Ca 0.51 -1.77 -0.18 0.00 -1.95 0.00 0.00 55.36 51.97 1a48 s GLN 144 Cb -0.35 -1.50 -0.02 0.00 -0.22 0.00 0.00 33.01 30.92 1a48 s GLN 144 CO 0.40 0.20 1.24 -2.14 -0.25 0.00 0.00 175.29 174.75 1a48 s PRO 145 N -3.60 2.72 0.47 2.91 0.02 -1.26 -4.96 135.00 131.30 1a48 s PRO 145 Ca 0.29 1.90 -0.15 0.00 0.02 0.00 0.00 61.00 63.06 1a48 s PRO 145 Cb -0.01 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 1a48 s PRO 145 CO 0.13 -1.42 0.92 -1.14 -0.33 0.00 0.00 177.00 175.16 1a48 s GLN 146 N -3.42 3.93 0.00 5.54 0.74 -1.26 -4.45 119.66 120.74 1a48 s GLN 146 Ca 0.79 0.84 0.00 0.00 0.05 0.00 0.00 55.36 57.04 1a48 s GLN 146 Cb -0.33 -2.21 0.00 0.00 1.10 0.00 0.00 33.01 31.57 1a48 s GLN 146 CO 0.37 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 1a48 n GLY 147 N -1.39 0.55 3.74 2.59 0.00 -1.26 -5.05 105.19 104.37 1a48 n GLY 147 Ca 0.05 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1a48 n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a48 s LEU 148 N 0.00 4.57 0.09 0.99 1.43 -1.26 -5.06 118.68 119.44 1a48 s LEU 148 Ca 0.00 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 1a48 s LEU 148 Cb 0.00 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 1a48 s LEU 148 CO 0.00 0.04 0.18 -0.54 0.23 0.00 0.00 176.35 176.26 1a48 s LYS 149 N -0.53 3.22 0.03 1.70 1.02 -1.26 -5.04 119.74 118.88 1a48 s LYS 149 Ca 0.44 -0.59 -0.35 0.00 0.02 0.00 0.00 55.97 55.49 1a48 s LYS 149 Cb -0.24 -2.89 -0.14 0.00 -0.52 0.00 0.00 37.83 34.03 1a48 s LYS 149 CO 0.31 0.57 1.61 -1.91 -0.92 0.00 0.00 175.35 175.01 1a48 n GLU 150 N 0.11 1.80 -0.97 1.68 2.13 -1.26 -1.22 120.64 122.91 1a48 n GLU 150 Ca -0.07 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1a48 n GLU 150 Cb 0.52 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.83 1a48 n GLU 150 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1a48 n SER 151 N 4.21 -1.36 -4.77 4.31 7.64 -0.10 -0.43 113.62 123.13 1a48 n SER 151 Ca 0.20 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.70 1a48 n SER 151 Cb 0.25 -0.23 -0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1a48 n SER 151 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1a48 s GLN 152 N -0.03 3.70 0.22 1.43 0.74 -0.36 -4.54 119.66 120.81 1a48 s GLN 152 Ca 0.00 1.85 -0.30 0.00 0.05 0.00 0.00 55.36 56.97 1a48 s GLN 152 Cb 0.00 -2.42 -0.09 0.00 1.10 0.00 0.00 33.01 31.61 1a48 s GLN 152 CO 0.00 -0.62 1.16 -2.00 -0.55 0.00 0.00 175.29 173.28 1a48 s GLU 153 N -2.68 4.54 0.54 1.67 2.12 -1.26 -1.77 118.70 121.84 1a48 s GLU 153 Ca 0.64 1.86 -0.20 0.00 0.36 0.00 0.00 54.97 57.62 1a48 s GLU 153 Cb -0.31 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 1a48 s GLU 153 CO 0.37 0.01 1.16 -0.06 -0.54 0.00 0.00 175.26 176.20 1a48 s PHE 154 N -0.43 2.64 0.28 5.30 0.08 -0.50 -4.93 117.98 120.43 1a48 s PHE 154 Ca 0.50 1.53 0.02 0.00 0.12 0.00 0.00 56.93 59.10 1a48 s PHE 154 Cb -0.32 -3.36 0.68 0.00 -0.57 0.00 0.00 43.02 39.44 1a48 s PHE 154 CO 0.38 -1.73 1.70 -1.35 -0.10 0.00 0.00 175.22 174.12 1a48 h PRO 155 N 1.32 0.39 -3.44 0.24 0.11 -1.95 -3.41 132.00 125.26 1a48 h PRO 155 Ca -0.50 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.38 1a48 h PRO 155 Cb 1.27 -0.09 -0.27 0.00 0.11 0.00 0.00 31.00 32.02 1a48 h PRO 155 CO 0.57 0.26 -0.59 -1.83 -0.21 0.00 0.00 178.00 176.20 1a48 s GLU 156 N -5.91 0.13 0.45 1.05 -1.05 -1.26 -5.14 118.70 106.97 1a48 s GLU 156 Ca -0.12 0.17 -0.25 0.00 -0.15 0.00 0.00 54.97 54.63 1a48 s GLU 156 Cb 0.24 0.04 -0.08 0.00 -0.44 0.00 0.00 34.13 33.89 1a48 s GLU 156 CO 0.78 -0.03 1.42 -2.30 0.95 0.00 0.00 175.26 176.07 1a48 n PRO 157 N 3.12 2.20 -4.93 -4.83 -0.02 -1.26 -4.96 135.00 124.31 1a48 n PRO 157 Ca -0.14 0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 1a48 n PRO 157 Cb 0.59 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 1a48 n PRO 157 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1a48 s ILE 158 N -1.20 1.83 -0.24 4.25 -4.36 -0.38 -4.93 121.20 116.17 1a48 s ILE 158 Ca 0.62 -1.13 -0.27 0.00 -0.26 0.00 0.00 60.65 59.60 1a48 s ILE 158 Cb -0.45 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 41.71 1a48 s ILE 158 CO 0.57 0.38 0.96 0.12 0.24 0.00 0.00 174.94 177.21 1a48 s PHE 159 N -0.67 3.31 -0.36 1.37 5.36 -1.26 -0.98 117.98 124.74 1a48 s PHE 159 Ca 0.09 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 1a48 s PHE 159 Cb -0.09 -3.21 0.14 0.00 -0.34 0.00 0.00 43.02 39.51 1a48 s PHE 159 CO 0.01 -0.47 0.21 0.95 -1.46 0.00 0.00 175.22 174.46 1a48 s THR 160 N 3.09 0.32 0.85 0.12 -4.23 -0.48 -4.80 115.64 110.51 1a48 s THR 160 Ca 0.40 -1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 1a48 s THR 160 Cb -0.15 -1.24 0.10 0.00 1.34 0.00 0.00 72.50 72.55 1a48 s THR 160 CO 0.07 -0.97 1.09 -2.16 -0.54 0.00 0.00 174.62 172.11 1a48 s PRO 161 N 0.98 1.64 0.05 3.99 0.04 -1.25 -3.97 135.00 136.48 1a48 s PRO 161 Ca 0.18 0.80 -0.06 0.00 0.04 0.00 0.00 61.00 61.96 1a48 s PRO 161 Cb -0.23 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1a48 s PRO 161 CO 0.01 -1.97 0.11 0.45 0.04 0.00 0.00 177.00 175.64 1a48 s SER 162 N -3.58 0.20 -0.16 6.66 0.15 -0.63 -1.74 113.70 114.61 1a48 s SER 162 Ca 0.62 -0.63 0.17 0.00 0.70 0.00 0.00 55.95 56.81 1a48 s SER 162 Cb -0.17 0.26 0.44 0.00 -1.71 0.00 0.00 66.02 64.84 1a48 s SER 162 CO 0.56 -0.59 1.18 0.35 1.20 0.00 0.00 173.24 175.94 1a48 n THR 163 N 0.42 1.43 0.00 6.45 -2.24 -1.26 -1.66 114.28 117.42 1a48 n THR 163 Ca -0.17 -2.65 0.00 0.00 -2.27 0.00 0.00 64.05 58.96 1a48 n THR 163 Cb 0.60 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1a48 n THR 163 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a48 n ASP 171 N -0.46 0.00 -4.74 3.42 2.03 -1.26 -4.76 116.55 110.78 1a48 n ASP 171 Ca 0.17 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.10 1a48 n ASP 171 Cb 0.90 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.24 1a48 n ASP 171 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1a48 s GLU 172 N 0.00 4.30 -0.09 -0.67 2.12 -1.26 -5.04 118.70 118.05 1a48 s GLU 172 Ca 0.00 0.48 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 1a48 s GLU 172 Cb 0.00 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1a48 s GLU 172 CO 0.00 0.24 1.05 -0.80 -0.54 0.00 0.00 175.26 175.21 1a48 s ASN 173 N 0.36 7.20 0.26 -1.70 0.01 -1.26 -4.44 114.94 115.38 1a48 s ASN 173 Ca 0.26 1.61 0.07 0.00 -0.71 0.00 0.00 52.86 54.09 1a48 s ASN 173 Cb -0.16 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.89 1a48 s ASN 173 CO 0.11 -0.48 -0.09 0.27 -1.51 0.00 0.00 177.10 175.41 1a48 s ILE 174 N 2.02 1.76 0.60 0.60 -4.36 -0.71 -4.98 121.20 116.13 1a48 s ILE 174 Ca 0.50 -2.17 -0.06 0.00 -0.26 0.00 0.00 60.65 58.66 1a48 s ILE 174 Cb -0.20 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.17 1a48 s ILE 174 CO 0.19 -0.37 0.91 -0.94 0.24 0.00 0.00 174.94 174.97 1a48 s SER 175 N -3.42 5.60 0.40 4.36 1.04 -1.25 -3.96 113.70 116.47 1a48 s SER 175 Ca 0.28 0.75 0.14 0.00 0.48 0.00 0.00 55.95 57.61 1a48 s SER 175 Cb 0.02 -1.74 1.00 0.00 0.10 0.00 0.00 66.02 65.40 1a48 s SER 175 CO 0.11 -1.07 1.89 -0.65 0.98 0.00 0.00 173.24 174.50 1a48 h PRO 176 N -0.20 0.47 -0.83 4.02 0.11 -1.87 -2.27 132.00 131.44 1a48 h PRO 176 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1a48 h PRO 176 Cb 1.25 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1a48 h PRO 176 CO 0.61 0.31 0.39 0.00 -0.21 0.00 0.00 178.00 179.11 1a48 h ALA 177 N 1.62 1.07 -0.51 -0.75 0.00 -1.96 -1.74 119.26 116.99 1a48 h ALA 177 Ca 0.42 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1a48 h ALA 177 Cb 0.90 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1a48 h ALA 177 CO -0.16 0.63 -0.11 0.37 0.00 0.00 0.00 179.25 179.98 1a48 h GLN 178 N 1.18 0.95 -0.63 0.00 5.75 -1.82 -1.93 115.11 118.61 1a48 h GLN 178 Ca 0.28 -0.34 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 1a48 h GLN 178 Cb 0.13 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1a48 h GLN 178 CO -0.03 1.01 0.02 0.00 -2.65 0.00 0.00 178.83 177.17 1a48 h ALA 179 N 1.01 0.85 -0.51 3.38 0.00 -1.21 -1.48 119.26 121.31 1a48 h ALA 179 Ca 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1a48 h ALA 179 Cb 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1a48 h ALA 179 CO 0.05 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.19 1a48 h ALA 180 N 1.01 1.43 -0.52 0.00 0.00 -1.04 -0.76 119.26 119.38 1a48 h ALA 180 Ca 0.18 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1a48 h ALA 180 Cb 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1a48 h ALA 180 CO 0.03 0.44 -0.04 0.93 0.00 0.00 0.00 179.25 180.61 1a48 h GLU 181 N 0.72 0.91 -0.11 0.00 4.39 -0.54 -1.10 114.58 118.85 1a48 h GLU 181 Ca 0.18 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.49 1a48 h GLU 181 Cb 0.12 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1a48 h GLU 181 CO -0.02 0.93 -0.34 -0.07 -1.16 0.00 0.00 179.01 178.35 1a48 h LEU 182 N 0.83 0.49 -0.74 1.33 4.07 -0.70 -3.40 115.31 117.20 1a48 h LEU 182 Ca 0.15 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1a48 h LEU 182 Cb 0.55 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1a48 h LEU 182 CO 0.03 1.01 0.00 1.33 -1.08 0.00 0.00 178.44 179.73 1a48 n VAL 183 N -4.38 0.00 0.00 1.22 0.24 -0.35 -5.05 118.33 110.02 1a48 n VAL 183 Ca -0.07 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1a48 n VAL 183 Cb 0.51 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 1a48 n VAL 183 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a48 n GLY 184 N 0.23 2.40 0.11 7.63 0.00 -0.42 -4.65 105.19 110.50 1a48 n GLY 184 Ca 0.00 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1a48 n GLY 184 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a48 h GLU 185 N 0.00 -0.17 -0.21 1.61 4.81 -1.90 -1.05 114.58 117.68 1a48 h GLU 185 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1a48 h GLU 185 Cb 0.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1a48 h GLU 185 CO 0.00 0.03 0.09 0.22 -0.73 0.00 0.00 179.01 178.63 1a48 h ASP 186 N -0.34 0.28 -0.10 1.04 3.58 -1.94 -1.75 116.42 117.19 1a48 h ASP 186 Ca -0.02 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 1a48 h ASP 186 Cb 0.28 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1a48 h ASP 186 CO 0.03 0.34 0.05 0.25 -2.88 0.00 0.00 179.24 177.03 1a48 h LEU 187 N 0.19 0.13 -1.22 2.28 5.85 -1.82 -2.19 115.31 118.54 1a48 h LEU 187 Ca 0.07 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1a48 h LEU 187 Cb 0.15 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1a48 h LEU 187 CO -0.01 0.21 0.07 0.77 -0.34 0.00 0.00 178.44 179.14 1a48 h SER 188 N 0.04 0.57 -0.29 1.25 4.64 -1.16 -1.12 113.55 117.47 1a48 h SER 188 Ca 0.03 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 1a48 h SER 188 Cb 0.11 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1a48 h SER 188 CO -0.00 0.59 -0.20 -0.09 -0.87 0.00 0.00 176.83 176.26 1a48 h ARG 189 N 0.59 0.65 -0.51 4.77 2.43 -1.16 -2.28 114.38 118.87 1a48 h ARG 189 Ca 0.13 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1a48 h ARG 189 Cb 0.27 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1a48 h ARG 189 CO 0.00 0.90 0.23 0.00 -1.51 0.00 0.00 179.97 179.59 1a48 h ARG 190 N 0.39 0.75 -0.40 0.20 3.08 -1.21 -1.99 114.38 115.19 1a48 h ARG 190 Ca 0.06 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1a48 h ARG 190 Cb 0.74 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1a48 h ARG 190 CO 0.05 0.64 -0.30 -0.39 -1.07 0.00 0.00 179.97 178.90 1a48 h VAL 191 N 0.68 1.27 -0.41 2.04 -1.51 -1.23 -2.44 116.25 114.66 1a48 h VAL 191 Ca 0.17 -1.46 -0.02 0.00 -1.23 0.00 0.00 66.70 64.16 1a48 h VAL 191 Cb 0.15 1.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.58 1a48 h VAL 191 CO -0.02 0.49 0.19 0.00 -1.23 0.00 0.00 177.57 177.00 1a48 h ALA 192 N 0.90 0.53 -0.38 5.19 0.00 -1.31 -1.39 119.26 122.81 1a48 h ALA 192 Ca 0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1a48 h ALA 192 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1a48 h ALA 192 CO 0.08 0.10 -0.12 0.93 0.00 0.00 0.00 179.25 180.24 1a48 h GLU 193 N 0.52 0.75 -0.11 0.00 5.08 -1.33 -2.97 114.58 116.52 1a48 h GLU 193 Ca 0.14 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1a48 h GLU 193 Cb 0.13 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1a48 h GLU 193 CO -0.02 0.91 0.03 1.25 -1.00 0.00 0.00 179.01 180.18 1a48 h LEU 194 N 0.55 0.15 -0.50 1.33 5.85 -1.42 -2.85 115.31 118.42 1a48 h LEU 194 Ca 0.09 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1a48 h LEU 194 Cb 0.65 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1a48 h LEU 194 CO 0.04 0.31 0.17 0.00 -0.34 0.00 0.00 178.44 178.62 1a48 h ALA 195 N 0.85 0.61 -0.66 1.25 0.00 -1.27 -1.54 119.26 118.51 1a48 h ALA 195 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1a48 h ALA 195 Cb 0.21 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1a48 h ALA 195 CO -0.00 -0.22 0.33 0.28 0.00 0.00 0.00 179.25 179.64 1a48 h VAL 196 N 0.35 1.22 -0.41 0.00 2.07 -1.55 -1.31 116.25 116.61 1a48 h VAL 196 Ca 0.24 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1a48 h VAL 196 Cb 0.26 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1a48 h VAL 196 CO -0.25 0.24 0.13 0.50 0.02 0.00 0.00 177.57 178.21 1a48 h LYS 197 N 0.90 0.65 -0.08 1.57 3.64 -1.19 -1.04 116.57 121.02 1a48 h LYS 197 Ca 0.23 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1a48 h LYS 197 Cb 0.08 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1a48 h LYS 197 CO -0.03 0.64 0.02 -0.07 -2.27 0.00 0.00 179.45 177.73 1a48 h LEU 198 N 0.53 0.12 -0.20 5.20 3.38 -1.14 -2.96 115.31 120.24 1a48 h LEU 198 Ca 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1a48 h LEU 198 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1a48 h LEU 198 CO -0.00 0.34 0.13 0.22 0.09 0.00 0.00 178.44 179.21 1a48 h TYR 199 N -0.10 0.25 -0.60 1.13 3.20 -1.20 -2.97 116.97 116.68 1a48 h TYR 199 Ca 0.02 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1a48 h TYR 199 Cb 0.26 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 1a48 h TYR 199 CO 0.01 0.16 0.33 0.77 -1.64 0.00 0.00 178.16 177.80 1a48 h SER 200 N 0.27 0.51 -0.34 -2.11 0.02 -1.14 -0.62 113.55 110.13 1a48 h SER 200 Ca 0.07 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1a48 h SER 200 Cb -0.02 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1a48 h SER 200 CO -0.02 0.34 0.17 0.50 -1.14 0.00 0.00 176.83 176.68 1a48 h LYS 201 N 0.64 0.34 -0.08 3.45 3.64 -1.50 -2.25 116.57 120.80 1a48 h LYS 201 Ca 0.26 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.40 1a48 h LYS 201 Cb 0.12 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1a48 h LYS 201 CO -0.15 0.22 -0.84 0.00 -2.27 0.00 0.00 179.45 176.41 1a48 h LYS 203 N 0.39 0.51 -0.41 0.00 3.11 -1.12 0.00 116.57 119.05 1a48 h LYS 203 Ca -0.06 -0.05 -0.07 0.00 -2.81 0.00 0.00 60.65 57.66 1a48 h LYS 203 Cb 1.46 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.57 1a48 h LYS 203 CO 0.16 0.40 -0.01 -0.44 -2.81 0.00 0.00 179.45 176.75 1a48 h ASP 204 N 0.48 0.72 -0.01 4.20 3.32 -1.39 -0.66 116.42 123.08 1a48 h ASP 204 Ca 0.13 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.88 1a48 h ASP 204 Cb 0.03 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1a48 h ASP 204 CO -0.02 0.85 -0.08 0.22 -1.72 0.00 0.00 179.24 178.49 1a48 h TYR 205 N 0.56 -0.19 -0.67 4.55 3.20 -1.19 -2.93 116.97 120.28 1a48 h TYR 205 Ca 0.11 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1a48 h TYR 205 Cb 0.49 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1a48 h TYR 205 CO 0.04 -0.12 0.16 0.00 -1.64 0.00 0.00 178.16 176.60 1a48 h ALA 206 N 0.86 1.01 -0.48 1.82 0.00 -0.94 -3.01 119.26 118.52 1a48 h ALA 206 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a48 h ALA 206 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1a48 h ALA 206 CO -0.09 0.64 0.28 -0.22 0.00 0.00 0.00 179.25 179.87 1a48 h LYS 207 N 1.01 0.65 0.00 0.00 3.64 -0.68 -1.01 116.57 120.18 1a48 h LYS 207 Ca 0.21 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1a48 h LYS 207 Cb 0.36 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1a48 h LYS 207 CO 0.00 0.47 -0.20 0.93 -2.27 0.00 0.00 179.45 178.38 1a48 h GLU 208 N 0.66 0.00 -0.01 1.90 5.08 -1.38 -2.42 114.58 118.41 1a48 h GLU 208 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1a48 h GLU 208 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1a48 h GLU 208 CO -0.03 0.20 -0.24 1.63 -1.00 0.00 0.00 179.01 179.57 1a48 n LYS 209 N -3.66 1.13 -0.17 2.33 4.76 -0.44 -4.96 118.16 117.15 1a48 n LYS 209 Ca -0.01 -0.74 0.00 0.00 -2.87 0.00 0.00 58.31 54.68 1a48 n LYS 209 Cb 0.32 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1a48 n LYS 209 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a48 n GLY 210 N 1.33 0.91 3.23 0.72 0.00 -0.88 -4.97 105.19 105.53 1a48 n GLY 210 Ca 0.13 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1a48 n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a48 s ILE 211 N -2.00 2.28 -0.34 -0.61 1.01 -0.87 -1.61 121.20 119.05 1a48 s ILE 211 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 1a48 s ILE 211 Cb 0.00 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1a48 s ILE 211 CO 0.00 0.55 0.28 -0.63 0.00 0.00 0.00 174.94 175.14 1a48 s ILE 212 N 0.57 5.25 -0.60 2.92 1.01 -0.63 -2.28 121.20 127.43 1a48 s ILE 212 Ca -0.12 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 1a48 s ILE 212 Cb -0.17 -3.76 0.12 0.00 0.01 0.00 0.00 42.46 38.66 1a48 s ILE 212 CO 0.04 -0.05 0.68 -0.63 0.00 0.00 0.00 174.94 174.98 1a48 s ILE 213 N 1.82 4.93 0.23 2.92 1.01 -1.26 -0.47 121.20 130.39 1a48 s ILE 213 Ca 0.08 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.56 1a48 s ILE 213 Cb -0.17 -4.47 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 1a48 s ILE 213 CO 0.11 -1.08 1.57 0.00 0.00 0.00 0.00 174.94 175.54 1a48 h ALA 214 N 9.05 0.85 -2.98 9.38 0.00 -1.21 -3.44 119.26 130.91 1a48 h ALA 214 Ca -0.26 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.17 1a48 h ALA 214 Cb 1.09 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 1a48 h ALA 214 CO 1.07 0.68 0.23 0.16 0.00 0.00 0.00 179.25 181.39 1a48 s ASP 215 N -6.90 -0.43 0.08 0.00 1.47 -1.25 -1.23 116.67 108.41 1a48 s ASP 215 Ca -0.05 -0.27 -0.14 0.00 1.18 0.00 0.00 52.55 53.26 1a48 s ASP 215 Cb 0.12 0.65 0.02 0.00 -0.34 0.00 0.00 42.92 43.37 1a48 s ASP 215 CO 0.81 -1.13 0.33 0.28 0.68 0.00 0.00 175.17 176.14 1a48 s THR 216 N -3.81 0.09 -0.21 2.11 -1.32 -0.66 -2.11 115.64 109.74 1a48 s THR 216 Ca 0.06 -0.71 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 1a48 s THR 216 Cb -0.03 -1.08 0.03 0.00 -1.51 0.00 0.00 72.50 69.90 1a48 s THR 216 CO -0.04 -0.39 -0.16 -0.75 -2.21 0.00 0.00 174.62 171.07 1a48 s LYS 217 N -3.15 2.82 0.15 7.08 2.20 -0.54 -2.12 119.74 126.18 1a48 s LYS 217 Ca -0.01 -0.95 0.04 0.00 -0.36 0.00 0.00 55.97 54.69 1a48 s LYS 217 Cb 0.01 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1a48 s LYS 217 CO -0.07 -0.31 0.21 -0.06 -0.36 0.00 0.00 175.35 174.76 1a48 s PHE 218 N 1.26 3.32 -0.06 4.03 0.08 0.39 -4.83 117.98 122.17 1a48 s PHE 218 Ca 0.01 0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.15 1a48 s PHE 218 Cb -0.15 -1.59 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 1a48 s PHE 218 CO -0.10 0.52 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.40 1a48 s GLU 219 N -3.14 1.73 0.19 0.44 2.12 -1.26 -1.38 118.70 117.40 1a48 s GLU 219 Ca 0.33 -0.47 0.10 0.00 0.36 0.00 0.00 54.97 55.28 1a48 s GLU 219 Cb -0.11 -1.44 -0.04 0.00 0.26 0.00 0.00 34.13 32.80 1a48 s GLU 219 CO 0.26 0.09 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.80 1a48 s PHE 220 N 0.46 2.11 0.45 5.30 0.08 -1.26 -2.19 117.98 122.92 1a48 s PHE 220 Ca -0.11 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.56 1a48 s PHE 220 Cb -0.14 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 1a48 s PHE 220 CO 0.03 0.46 0.06 0.20 -0.10 0.00 0.00 175.22 175.88 1a48 s GLY 221 N -2.78 2.76 0.00 4.36 0.00 -0.43 -2.05 107.32 109.19 1a48 s GLY 221 Ca 0.20 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.97 1a48 s GLY 221 CO 0.09 -2.00 -0.04 -0.42 0.00 0.00 0.00 173.10 170.73 1a48 s ILE 222 N -3.04 0.32 -0.51 0.90 1.09 -0.96 -0.85 121.20 118.15 1a48 s ILE 222 Ca 0.17 -0.25 -0.13 0.00 -1.10 0.00 0.00 60.65 59.34 1a48 s ILE 222 Cb 0.03 -0.29 0.13 0.00 -1.06 0.00 0.00 42.46 41.26 1a48 s ILE 222 CO 0.10 0.04 0.43 -0.62 -0.10 0.00 0.00 174.94 174.79 1a48 s ASP 223 N -0.23 5.97 0.22 3.58 -1.08 0.24 -3.86 116.67 121.52 1a48 s ASP 223 Ca 0.00 -1.85 0.22 0.00 -0.52 0.00 0.00 52.55 50.40 1a48 s ASP 223 Cb -0.02 -2.12 0.93 0.00 -1.46 0.00 0.00 42.92 40.24 1a48 s ASP 223 CO -0.00 -0.79 1.66 -0.62 0.52 0.00 0.00 175.17 175.94 1a48 n GLU 224 N 5.10 0.16 0.13 4.34 1.02 -1.26 0.69 120.64 130.81 1a48 n GLU 224 Ca -0.11 0.42 0.09 0.00 -0.02 0.00 0.00 57.16 57.54 1a48 n GLU 224 Cb 0.40 -1.82 0.04 0.00 -0.02 0.00 0.00 31.44 30.04 1a48 n GLU 224 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1a48 h LYS 225 N 0.00 0.00 0.00 3.49 1.63 -1.97 -3.35 116.57 116.37 1a48 h LYS 225 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1a48 h LYS 225 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1a48 h LYS 225 CO 0.00 0.10 -0.96 0.25 -3.45 0.00 0.00 179.45 175.39 1a48 n THR 226 N -2.89 0.00 -2.84 1.00 -2.24 -1.16 -5.01 114.28 101.14 1a48 n THR 226 Ca -0.00 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1a48 n THR 226 Cb 0.61 0.52 0.03 0.00 -2.10 0.00 0.00 70.33 69.39 1a48 n THR 226 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1a48 n ASN 227 N -1.49 -4.06 -4.89 3.42 4.05 0.22 -5.03 115.26 107.46 1a48 n ASN 227 Ca -0.00 -0.21 -0.35 0.00 0.45 0.00 0.00 54.58 54.47 1a48 n ASN 227 Cb 0.03 -2.80 -0.05 0.00 1.23 0.00 0.00 39.78 38.19 1a48 n ASN 227 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1a48 s GLU 228 N -5.38 3.47 -0.04 1.20 2.02 -0.64 -4.87 118.70 114.45 1a48 s GLU 228 Ca 0.22 -0.22 -0.27 0.00 0.02 0.00 0.00 54.97 54.73 1a48 s GLU 228 Cb -0.10 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 1a48 s GLU 228 CO 0.28 0.70 0.85 0.42 0.02 0.00 0.00 175.26 177.53 1a48 s ILE 229 N -1.23 4.94 -0.04 -1.63 -1.09 -1.26 -0.60 121.20 120.29 1a48 s ILE 229 Ca 0.24 1.77 0.06 0.00 -2.23 0.00 0.00 60.65 60.49 1a48 s ILE 229 Cb -0.13 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 1a48 s ILE 229 CO 0.14 0.19 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.19 1a48 s ILE 230 N 1.01 2.35 -0.19 2.92 -1.09 -0.03 -4.42 121.20 121.75 1a48 s ILE 230 Ca 0.45 -0.98 -0.27 0.00 -2.23 0.00 0.00 60.65 57.62 1a48 s ILE 230 Cb -0.19 -1.86 -0.00 0.00 -1.58 0.00 0.00 42.46 38.82 1a48 s ILE 230 CO 0.23 0.58 0.93 -0.22 -1.23 0.00 0.00 174.94 175.22 1a48 s LEU 231 N -0.47 4.15 0.00 2.97 2.96 -0.12 -1.32 118.68 126.86 1a48 s LEU 231 Ca 0.06 1.28 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1a48 s LEU 231 Cb -0.11 -3.39 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1a48 s LEU 231 CO 0.01 -0.51 0.08 1.33 -1.32 0.00 0.00 176.35 175.93 1a48 n VAL 232 N 4.98 0.00 -1.27 1.68 0.24 -0.93 -1.97 118.33 121.05 1a48 n VAL 232 Ca 0.08 -1.68 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 1a48 n VAL 232 Cb 0.48 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 1a48 n VAL 232 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1a48 n ASP 233 N -1.39 -0.46 -4.77 -1.34 2.03 -1.26 -4.55 116.55 104.81 1a48 n ASP 233 Ca -0.12 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.80 1a48 n ASP 233 Cb 0.46 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.80 1a48 n ASP 233 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1a48 s GLU 234 N 0.00 4.55 -0.17 -0.67 -1.05 -1.26 -5.04 118.70 115.06 1a48 s GLU 234 Ca 0.00 1.14 0.01 0.00 -0.15 0.00 0.00 54.97 55.97 1a48 s GLU 234 Cb 0.00 -3.28 0.02 0.00 -0.44 0.00 0.00 34.13 30.43 1a48 s GLU 234 CO 0.00 0.52 -0.20 0.08 0.95 0.00 0.00 175.26 176.61 1a48 s VAL 235 N -0.94 2.11 -1.31 1.83 1.01 -1.26 -4.80 120.40 117.04 1a48 s VAL 235 Ca 0.36 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1a48 s VAL 235 Cb -0.23 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1a48 s VAL 235 CO 0.26 0.54 0.54 0.18 0.00 0.00 0.00 175.10 176.62 1a48 n LEU 236 N 4.43 -2.19 -4.83 3.92 7.99 -1.26 -4.42 117.00 120.64 1a48 n LEU 236 Ca -0.21 -1.05 -0.22 0.00 -0.01 0.00 0.00 56.01 54.53 1a48 n LEU 236 Cb 0.51 -2.20 -0.04 0.00 -0.11 0.00 0.00 43.42 41.57 1a48 n LEU 236 CO 0.26 0.48 -0.06 0.42 -1.51 0.00 0.00 177.39 176.98 1a48 s THR 237 N -3.78 2.84 -0.19 -5.08 -4.23 -1.26 -4.91 115.64 99.02 1a48 s THR 237 Ca 0.20 -1.44 0.27 0.00 -1.18 0.00 0.00 61.69 59.54 1a48 s THR 237 Cb -0.08 -3.04 0.29 0.00 1.34 0.00 0.00 72.50 71.01 1a48 s THR 237 CO 0.89 -0.06 1.81 -0.65 -0.54 0.00 0.00 174.62 176.08 1a48 h PRO 238 N 1.19 0.00 0.00 3.99 0.11 -1.95 -1.86 132.00 133.48 1a48 h PRO 238 Ca -0.43 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.48 1a48 h PRO 238 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1a48 h PRO 238 CO 0.60 0.00 -1.35 -0.44 -0.21 0.00 0.00 178.00 176.60 1a48 h ASP 239 N 0.00 0.00 -0.16 -2.05 3.32 -2.01 -3.37 116.42 112.15 1a48 h ASP 239 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a48 h ASP 239 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1a48 h ASP 239 CO 0.00 0.73 0.00 -1.54 -1.72 0.00 0.00 179.24 176.71 1a48 n SER 240 N -3.02 2.84 -3.86 6.45 3.41 -0.86 -5.00 113.62 113.58 1a48 n SER 240 Ca -0.09 -1.85 -0.09 0.00 -0.26 0.00 0.00 58.87 56.58 1a48 n SER 240 Cb 0.90 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.68 1a48 n SER 240 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a48 s SER 241 N -1.47 0.11 -0.44 4.04 0.01 -0.76 -1.47 113.70 113.72 1a48 s SER 241 Ca 0.27 -0.59 -0.17 0.00 1.31 0.00 0.00 55.95 56.76 1a48 s SER 241 Cb 0.17 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.76 1a48 s SER 241 CO 0.25 -0.69 0.44 -0.13 0.41 0.00 0.00 173.24 173.52 1a48 s ARG 242 N -3.57 3.06 -0.14 12.44 0.52 -0.90 -4.55 118.95 125.82 1a48 s ARG 242 Ca 0.03 -0.90 -0.11 0.00 -0.52 0.00 0.00 55.73 54.22 1a48 s ARG 242 Cb 0.04 -4.01 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 1a48 s ARG 242 CO -0.09 -0.92 0.23 -0.06 0.02 0.00 0.00 175.30 174.48 1a48 s PHE 243 N 2.07 3.51 0.09 -0.53 0.40 -1.26 -0.56 117.98 121.70 1a48 s PHE 243 Ca 0.10 0.57 0.06 0.00 -0.60 0.00 0.00 56.93 57.07 1a48 s PHE 243 Cb -0.19 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.11 1a48 s PHE 243 CO 0.12 0.42 -0.17 -1.58 0.70 0.00 0.00 175.22 174.71 1a48 s TRP 244 N -0.10 1.45 -0.26 0.36 0.51 0.38 -2.00 118.94 119.30 1a48 s TRP 244 Ca 0.15 -0.45 -0.29 0.00 -2.12 0.00 0.00 56.10 53.39 1a48 s TRP 244 Cb -0.13 -0.80 0.01 0.00 -0.81 0.00 0.00 33.47 31.74 1a48 s TRP 244 CO 0.04 0.12 1.12 1.21 -0.51 0.00 0.00 176.95 178.93 1a48 s ASN 245 N -1.84 6.97 0.39 2.95 2.47 -1.26 -1.61 114.94 123.01 1a48 s ASN 245 Ca 0.02 1.30 0.07 0.00 0.42 0.00 0.00 52.86 54.66 1a48 s ASN 245 Cb -0.10 -2.54 0.78 0.00 -1.45 0.00 0.00 41.25 37.94 1a48 s ASN 245 CO 0.03 -0.80 1.99 1.23 -3.72 0.00 0.00 177.10 175.83 1a48 h GLY 246 N 9.88 0.52 1.24 1.21 0.00 -1.64 -3.03 103.07 111.26 1a48 h GLY 246 Ca -0.21 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1a48 h GLY 246 CO 1.00 0.23 0.13 0.00 0.00 0.00 0.00 176.54 177.91 1a48 h ALA 247 N 1.66 1.10 -0.15 3.60 0.00 -1.91 -2.98 119.26 120.58 1a48 h ALA 247 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a48 h ALA 247 Cb 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1a48 h ALA 247 CO -0.01 0.60 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 1a48 n SER 248 N -4.25 2.06 -4.70 0.00 3.41 -1.15 -4.96 113.62 104.04 1a48 n SER 248 Ca 0.04 -1.74 -0.42 0.00 -0.26 0.00 0.00 58.87 56.50 1a48 n SER 248 Cb 0.25 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1a48 n SER 248 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1a48 s TYR 249 N -1.82 2.80 -0.03 7.33 5.04 -1.13 -5.01 117.35 124.53 1a48 s TYR 249 Ca 0.34 0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 55.57 1a48 s TYR 249 Cb 0.19 -3.83 0.03 0.00 0.35 0.00 0.00 41.96 38.70 1a48 s TYR 249 CO 0.29 -3.17 0.05 0.21 -1.34 0.00 0.00 175.55 171.59 1a48 s LYS 250 N 2.02 -0.05 0.43 4.97 2.20 -1.26 -5.08 119.74 122.97 1a48 s LYS 250 Ca 0.69 0.30 -0.25 0.00 -0.36 0.00 0.00 55.97 56.36 1a48 s LYS 250 Cb -0.38 -0.42 -0.08 0.00 -1.51 0.00 0.00 37.83 35.44 1a48 s LYS 250 CO 0.30 -0.27 1.25 0.08 -0.36 0.00 0.00 175.35 176.35 1a48 s VAL 251 N 1.75 2.79 0.00 4.02 1.01 -1.26 -3.47 120.40 125.24 1a48 s VAL 251 Ca -0.00 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1a48 s VAL 251 Cb -0.12 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1a48 s VAL 251 CO -0.03 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1a48 n GLY 252 N 0.62 0.73 3.32 4.51 0.00 0.43 -4.96 105.19 109.82 1a48 n GLY 252 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 1a48 n GLY 252 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a48 s GLU 253 N -0.66 1.32 0.38 1.61 2.02 -1.21 -4.66 118.70 117.49 1a48 s GLU 253 Ca 0.00 -1.67 -0.24 0.00 0.02 0.00 0.00 54.97 53.08 1a48 s GLU 253 Cb 0.00 -0.51 -0.10 0.00 0.10 0.00 0.00 34.13 33.62 1a48 s GLU 253 CO 0.00 -0.13 0.96 0.45 0.02 0.00 0.00 175.26 176.55 1a48 s SER 254 N -3.29 7.11 0.06 -0.19 0.15 -1.26 -4.41 113.70 111.87 1a48 s SER 254 Ca 0.29 1.79 0.02 0.00 0.70 0.00 0.00 55.95 58.75 1a48 s SER 254 Cb 0.06 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1a48 s SER 254 CO 0.09 -0.24 0.11 -1.10 1.20 0.00 0.00 173.24 173.30 1a48 s GLN 255 N -2.60 3.04 0.55 5.44 -1.52 -1.26 -4.99 119.66 118.32 1a48 s GLN 255 Ca 0.56 -0.60 -0.15 0.00 -1.95 0.00 0.00 55.36 53.21 1a48 s GLN 255 Cb -0.15 -2.82 -0.06 0.00 -0.22 0.00 0.00 33.01 29.76 1a48 s GLN 255 CO 0.19 0.59 1.01 -0.51 -0.25 0.00 0.00 175.29 176.32 1a48 s ASP 256 N -2.34 6.32 -0.01 5.90 1.01 -1.26 -5.00 116.67 121.30 1a48 s ASP 256 Ca 0.30 1.61 -0.30 0.00 0.71 0.00 0.00 52.55 54.87 1a48 s ASP 256 Cb -0.12 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1a48 s ASP 256 CO 0.22 -0.80 1.12 -0.55 0.21 0.00 0.00 175.17 175.38 1a48 s SER 257 N -3.17 7.16 0.19 0.27 0.15 -1.26 -4.54 113.70 112.51 1a48 s SER 257 Ca 0.60 1.81 -0.12 0.00 0.70 0.00 0.00 55.95 58.93 1a48 s SER 257 Cb -0.12 -2.57 0.22 0.00 -1.71 0.00 0.00 66.02 61.84 1a48 s SER 257 CO 0.36 -0.45 1.70 0.22 1.20 0.00 0.00 173.24 176.27 1a48 h TYR 258 N 7.03 0.09 0.00 3.44 5.03 -1.75 -2.71 116.97 128.09 1a48 h TYR 258 Ca -0.38 0.03 -0.37 0.00 2.58 0.00 0.00 58.73 60.60 1a48 h TYR 258 Cb 1.19 0.04 -0.07 0.00 1.55 0.00 0.00 36.73 39.45 1a48 h TYR 258 CO 0.69 -0.06 -2.35 -0.40 -1.32 0.00 0.00 178.16 174.72 1a48 n ASP 259 N -5.17 0.21 -0.64 -2.11 5.75 -1.26 -4.65 116.55 108.68 1a48 n ASP 259 Ca 0.06 0.02 0.07 0.00 -0.01 0.00 0.00 54.79 54.93 1a48 n ASP 259 Cb 0.28 0.82 0.10 0.00 -1.03 0.00 0.00 41.12 41.28 1a48 n ASP 259 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1a48 n LYS 260 N -2.81 1.52 -0.26 0.11 5.02 -1.23 -4.64 118.16 115.88 1a48 n LYS 260 Ca -0.33 -1.60 -0.04 0.00 -2.02 0.00 0.00 58.31 54.32 1a48 n LYS 260 Cb 1.14 -1.29 0.12 0.00 -0.02 0.00 0.00 35.03 34.98 1a48 n LYS 260 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1a48 h GLN 261 N 2.70 1.11 -0.47 1.97 5.75 -1.75 -1.86 115.11 122.56 1a48 h GLN 261 Ca 0.00 -0.17 0.07 0.00 -0.15 0.00 0.00 58.65 58.39 1a48 h GLN 261 Cb 0.65 -0.19 -0.06 0.00 1.07 0.00 0.00 27.48 28.95 1a48 h GLN 261 CO 0.00 0.88 0.15 0.74 -2.65 0.00 0.00 178.83 177.95 1a48 h PHE 262 N 1.09 0.26 -0.13 3.99 0.04 -1.86 -0.86 116.94 119.47 1a48 h PHE 262 Ca 0.26 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.05 1a48 h PHE 262 Cb 0.16 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1a48 h PHE 262 CO 0.02 0.07 0.05 1.25 -0.60 0.00 0.00 178.31 179.10 1a48 h LEU 263 N 0.31 0.18 -0.48 1.54 5.85 -1.80 -2.49 115.31 118.42 1a48 h LEU 263 Ca 0.23 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1a48 h LEU 263 Cb 0.25 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1a48 h LEU 263 CO -0.25 0.30 0.31 0.03 -0.34 0.00 0.00 178.44 178.49 1a48 h ARG 264 N 0.05 0.64 -0.75 1.25 3.08 -1.22 -1.05 114.38 116.37 1a48 h ARG 264 Ca 0.04 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1a48 h ARG 264 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1a48 h ARG 264 CO -0.00 0.44 0.23 -0.44 -1.07 0.00 0.00 179.97 179.13 1a48 h ASP 265 N 0.65 1.08 -0.24 7.04 3.32 -1.16 -1.47 116.42 125.64 1a48 h ASP 265 Ca 0.17 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1a48 h ASP 265 Cb -0.05 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1a48 h ASP 265 CO -0.04 1.00 0.07 -0.25 -1.72 0.00 0.00 179.24 178.31 1a48 h TRP 266 N 1.11 0.38 0.32 4.55 7.01 -1.16 -1.29 115.95 126.86 1a48 h TRP 266 Ca 0.24 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1a48 h TRP 266 Cb 0.30 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1a48 h TRP 266 CO 0.03 0.44 -0.15 -0.07 -2.79 0.00 0.00 178.44 175.89 1a48 h LEU 267 N 0.21 -0.36 -0.77 0.65 3.38 -0.97 -2.43 115.31 115.03 1a48 h LEU 267 Ca 0.08 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1a48 h LEU 267 Cb 0.24 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1a48 h LEU 267 CO -0.00 -0.25 -0.09 0.71 0.09 0.00 0.00 178.44 178.90 1a48 h THR 268 N -0.43 1.26 -0.67 0.22 1.35 -1.29 -1.06 112.91 112.29 1a48 h THR 268 Ca -0.04 -1.17 0.11 0.00 -0.55 0.00 0.00 66.41 64.76 1a48 h THR 268 Cb 0.33 0.99 -0.04 0.00 -1.73 0.00 0.00 68.15 67.70 1a48 h THR 268 CO 0.07 0.40 0.45 0.00 -0.25 0.00 0.00 175.52 176.19 1a48 h ALA 269 N 1.13 2.00 -0.58 6.62 0.00 -1.09 -2.30 119.26 125.04 1a48 h ALA 269 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a48 h ALA 269 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a48 h ALA 269 CO 0.04 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.22 1a48 n ASN 270 N -4.48 3.68 -3.09 0.00 3.02 -0.84 -4.97 115.26 108.58 1a48 n ASN 270 Ca 0.12 -1.99 -0.23 0.00 -0.03 0.00 0.00 54.58 52.45 1a48 n ASN 270 Cb 0.41 -0.39 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 1a48 n ASN 270 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a48 n LYS 271 N 1.47 -5.11 -0.11 3.52 4.76 -0.69 -4.89 118.16 117.11 1a48 n LYS 271 Ca 0.21 0.89 0.07 0.00 -2.87 0.00 0.00 58.31 56.61 1a48 n LYS 271 Cb 0.59 -5.77 0.12 0.00 -1.84 0.00 0.00 35.03 28.14 1a48 n LYS 271 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1a48 n LEU 272 N -4.12 2.63 -4.69 -0.35 4.77 -0.49 -4.92 117.00 109.83 1a48 n LEU 272 Ca -0.10 -1.55 -0.42 0.00 -0.03 0.00 0.00 56.01 53.91 1a48 n LEU 272 Cb 0.61 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1a48 n LEU 272 CO 0.49 0.60 1.23 0.54 -1.33 0.00 0.00 177.39 178.92 1a48 s ASN 273 N -1.04 6.69 0.00 -1.43 4.22 -1.23 -2.39 114.94 119.76 1a48 s ASN 273 Ca 0.22 2.38 0.00 0.00 -2.14 0.00 0.00 52.86 53.32 1a48 s ASN 273 Cb 0.13 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 40.09 1a48 s ASN 273 CO 0.17 -0.81 0.00 0.61 -2.04 0.00 0.00 177.10 175.04 1a48 n GLY 274 N 3.82 0.93 3.75 0.45 0.00 -1.26 -5.03 105.19 107.85 1a48 n GLY 274 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1a48 n GLY 274 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a48 s VAL 275 N -3.74 5.07 0.51 1.61 1.01 -1.00 -4.90 120.40 118.95 1a48 s VAL 275 Ca 0.00 1.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 1a48 s VAL 275 Cb 0.00 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 1a48 s VAL 275 CO 0.00 0.38 1.00 0.20 0.00 0.00 0.00 175.10 176.68 1a48 s ASN 276 N 0.17 6.50 -0.91 3.32 -0.87 -1.26 -4.34 114.94 117.56 1a48 s ASN 276 Ca 0.28 1.69 0.00 0.00 -1.57 0.00 0.00 52.86 53.26 1a48 s ASN 276 Cb -0.16 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.54 1a48 s ASN 276 CO 0.13 -0.67 0.00 0.61 -2.57 0.00 0.00 177.10 174.60 1a48 n GLY 277 N -1.09 0.13 3.73 0.66 0.00 -1.26 -5.03 105.19 102.33 1a48 n GLY 277 Ca 0.07 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1a48 n GLY 277 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a48 s VAL 278 N -2.49 5.29 -0.21 1.61 1.01 -1.26 -4.83 120.40 119.51 1a48 s VAL 278 Ca 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 1a48 s VAL 278 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1a48 s VAL 278 CO 0.00 0.39 0.06 -0.75 0.00 0.00 0.00 175.10 174.80 1a48 s LYS 279 N 0.42 3.84 0.29 2.72 2.20 -1.26 -0.49 119.74 127.46 1a48 s LYS 279 Ca 0.18 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 55.10 1a48 s LYS 279 Cb -0.13 -3.24 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 1a48 s LYS 279 CO 0.05 0.09 1.06 -1.64 -0.36 0.00 0.00 175.35 174.55 1a48 s MET 280 N 0.86 4.60 0.61 4.03 -1.94 -1.26 -5.02 119.30 121.18 1a48 s MET 280 Ca 0.03 1.69 -0.18 0.00 -1.71 0.00 0.00 55.69 55.53 1a48 s MET 280 Cb -0.14 -3.09 -0.02 0.00 2.01 0.00 0.00 34.83 33.59 1a48 s MET 280 CO 0.02 0.21 1.17 -2.14 -0.01 0.00 0.00 175.02 174.28 1a48 s PRO 281 N -1.58 2.92 0.27 2.03 0.02 -1.26 -4.80 135.00 132.60 1a48 s PRO 281 Ca 0.46 1.68 0.01 0.00 0.02 0.00 0.00 61.00 63.17 1a48 s PRO 281 Cb -0.29 -1.94 0.58 0.00 0.02 0.00 0.00 34.50 32.87 1a48 s PRO 281 CO 0.37 -1.21 1.77 0.37 -0.33 0.00 0.00 177.00 177.96 1a48 h GLN 282 N 0.64 0.64 -0.52 5.54 5.75 -1.99 0.13 115.11 125.31 1a48 h GLN 282 Ca -0.49 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 57.92 1a48 h GLN 282 Cb 1.28 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.66 1a48 h GLN 282 CO 0.55 0.42 0.14 0.38 -2.65 0.00 0.00 178.83 177.67 1a48 h ASP 283 N 0.66 0.72 -0.26 -0.69 2.03 -1.99 -0.76 116.42 116.12 1a48 h ASP 283 Ca 0.49 -0.12 -0.14 0.00 -0.73 0.00 0.00 57.03 56.53 1a48 h ASP 283 Cb 0.71 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1a48 h ASP 283 CO -0.37 0.70 -0.40 0.40 -1.03 0.00 0.00 179.24 178.54 1a48 h ILE 284 N 0.75 1.30 -0.50 4.15 1.08 -1.15 -2.20 117.51 120.95 1a48 h ILE 284 Ca 0.17 -1.59 0.08 0.00 -0.39 0.00 0.00 64.86 63.13 1a48 h ILE 284 Cb 0.26 1.69 -0.07 0.00 -3.07 0.00 0.00 36.82 35.63 1a48 h ILE 284 CO -0.00 0.51 0.10 0.58 -0.69 0.00 0.00 178.15 178.65 1a48 h VAL 285 N 0.46 0.73 -0.25 1.67 2.07 -0.91 -1.63 116.25 118.39 1a48 h VAL 285 Ca 0.02 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1a48 h VAL 285 Cb 0.99 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1a48 h VAL 285 CO 0.09 0.04 -0.18 0.44 0.02 0.00 0.00 177.57 177.98 1a48 h ASP 286 N 0.24 0.59 -0.48 0.57 3.32 -1.06 -1.22 116.42 118.38 1a48 h ASP 286 Ca 0.25 -0.44 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1a48 h ASP 286 Cb 0.33 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1a48 h ASP 286 CO -0.32 0.91 -0.00 0.03 -1.72 0.00 0.00 179.24 178.14 1a48 h ARG 287 N 0.28 0.91 0.04 3.56 3.08 -1.37 -2.16 114.38 118.71 1a48 h ARG 287 Ca 0.05 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1a48 h ARG 287 Cb 0.72 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1a48 h ARG 287 CO 0.05 0.90 -0.02 1.15 -1.07 0.00 0.00 179.97 180.98 1a48 h THR 288 N 0.84 1.12 -0.82 2.04 2.02 -1.22 -2.79 112.91 114.10 1a48 h THR 288 Ca 0.16 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.85 1a48 h THR 288 Cb 0.50 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1a48 h THR 288 CO 0.02 0.13 0.54 -0.09 0.37 0.00 0.00 175.52 176.49 1a48 h ARG 289 N -0.27 1.05 -0.26 6.66 2.43 -1.16 -2.27 114.38 120.55 1a48 h ARG 289 Ca -0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1a48 h ARG 289 Cb 0.25 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1a48 h ARG 289 CO 0.01 0.69 0.01 0.00 -1.51 0.00 0.00 179.97 179.18 1a48 h ALA 290 N 1.50 1.55 -0.52 2.80 0.00 -1.24 -2.25 119.26 121.10 1a48 h ALA 290 Ca 0.31 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1a48 h ALA 290 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1a48 h ALA 290 CO -0.07 0.33 -0.06 0.87 0.00 0.00 0.00 179.25 180.32 1a48 h LYS 291 N 0.38 0.96 -0.69 0.00 1.79 -1.14 -1.52 116.57 116.35 1a48 h LYS 291 Ca 0.09 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1a48 h LYS 291 Cb 0.23 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1a48 h LYS 291 CO 0.00 1.00 0.43 1.88 -1.08 0.00 0.00 179.45 181.69 1a48 h TYR 292 N 0.83 0.89 -0.69 -1.35 0.05 -1.31 -1.74 116.97 113.66 1a48 h TYR 292 Ca 0.14 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.87 1a48 h TYR 292 Cb 0.61 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 1a48 h TYR 292 CO 0.04 0.59 0.20 0.82 -1.05 0.00 0.00 178.16 178.76 1a48 h ILE 293 N 0.93 1.26 -0.68 -2.88 2.04 -1.31 -0.40 117.51 116.48 1a48 h ILE 293 Ca 0.25 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1a48 h ILE 293 Cb -0.06 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1a48 h ILE 293 CO -0.05 0.35 0.17 -0.08 0.00 0.00 0.00 178.15 178.55 1a48 h GLU 294 N 1.02 1.08 -0.39 2.37 4.57 -1.03 -1.19 114.58 121.00 1a48 h GLU 294 Ca 0.22 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1a48 h GLU 294 Cb 0.33 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1a48 h GLU 294 CO -0.00 0.96 0.16 0.00 -1.18 0.00 0.00 179.01 178.94 1a48 h ALA 295 N 1.07 0.51 -0.02 2.92 0.00 -1.12 -0.41 119.26 122.21 1a48 h ALA 295 Ca 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a48 h ALA 295 Cb 0.36 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1a48 h ALA 295 CO 0.00 0.11 0.01 -0.92 0.00 0.00 0.00 179.25 178.45 1a48 h TYR 296 N 0.49 0.04 -0.60 0.00 3.20 -0.85 -1.43 116.97 117.81 1a48 h TYR 296 Ca 0.13 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1a48 h TYR 296 Cb 0.18 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1a48 h TYR 296 CO -0.00 0.19 0.10 0.93 -1.64 0.00 0.00 178.16 177.74 1a48 h GLU 297 N -0.12 1.00 -0.45 1.82 5.08 -1.13 -1.83 114.58 118.95 1a48 h GLU 297 Ca 0.01 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 1a48 h GLU 297 Cb 0.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1a48 h GLU 297 CO -0.00 0.93 -0.19 1.79 -1.00 0.00 0.00 179.01 180.54 1a48 h THR 298 N 0.90 1.27 0.04 1.13 1.35 -1.04 -2.07 112.91 114.50 1a48 h THR 298 Ca 0.18 -1.33 -0.27 0.00 -0.55 0.00 0.00 66.41 64.44 1a48 h THR 298 Cb 0.42 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.94 1a48 h THR 298 CO 0.01 0.45 -1.42 -0.07 -0.25 0.00 0.00 175.52 174.24 1a48 h LEU 299 N 0.78 0.14 0.00 3.87 3.38 -1.11 -3.36 115.31 119.02 1a48 h LEU 299 Ca 0.11 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1a48 h LEU 299 Cb 0.74 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1a48 h LEU 299 CO 0.06 1.17 -1.16 0.74 0.09 0.00 0.00 178.44 179.34 1a48 h THR 300 N 0.03 0.40 0.00 0.22 2.02 -1.43 -3.48 112.91 110.67 1a48 h THR 300 Ca -0.18 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1a48 h THR 300 Cb 1.94 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 70.29 1a48 h THR 300 CO 0.12 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.85 1a48 n GLY 301 N 1.31 0.57 3.92 2.16 0.00 -0.78 -5.02 105.19 107.36 1a48 n GLY 301 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1a48 n GLY 301 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a48 s SER 302 N -2.33 6.37 -0.14 1.61 0.01 -1.25 -5.03 113.70 112.94 1a48 s SER 302 Ca 0.00 0.56 -0.05 0.00 1.31 0.00 0.00 55.95 57.77 1a48 s SER 302 Cb 0.00 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1a48 s SER 302 CO 0.00 -0.21 0.03 -0.75 0.41 0.00 0.00 173.24 172.72 1a48 s LYS 303 N -3.83 3.53 -0.43 12.44 2.36 -1.26 -4.21 119.74 128.34 1a48 s LYS 303 Ca 0.41 -0.37 -0.20 0.00 -2.55 0.00 0.00 55.97 53.26 1a48 s LYS 303 Cb -0.10 -3.02 0.02 0.00 -1.05 0.00 0.00 37.83 33.68 1a48 s LYS 303 CO 0.32 0.47 0.59 -0.46 1.55 0.00 0.00 175.35 177.83 1a48 s TRP 304 N -0.22 3.09 0.19 4.03 -0.11 -1.26 -4.98 118.94 119.69 1a48 s TRP 304 Ca 0.07 -0.11 0.02 0.00 1.22 0.00 0.00 56.10 57.30 1a48 s TRP 304 Cb -0.12 -3.23 0.10 0.00 -1.50 0.00 0.00 33.47 28.72 1a48 s TRP 304 CO 0.02 -0.82 1.45 0.77 -4.62 0.00 0.00 176.95 173.75 1a48 h SER 305 N 8.82 0.30 0.00 5.86 0.02 -2.03 -3.53 113.55 122.99 1a48 h SER 305 Ca -0.26 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1a48 h SER 305 Cb 1.10 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1a48 h SER 305 CO 0.87 0.95 0.00 0.00 -1.14 0.00 0.00 176.83 177.50