#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s ARG 2 N 0.00 2.03 0.62 1.61 0.52 -0.30 -5.05 118.95 118.38 3i55 s ARG 2 Ca 0.00 -1.89 -0.18 0.00 -0.52 0.00 0.00 55.73 53.14 3i55 s ARG 2 Cb 0.00 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.62 3i55 s ARG 2 CO 0.00 0.04 1.24 1.03 0.02 0.00 0.00 175.30 177.64 3i55 s ARG 3 N -3.73 2.77 0.68 3.54 1.81 -1.26 -4.82 118.95 117.95 3i55 s ARG 3 Ca 0.36 1.92 -0.02 0.00 -1.72 0.00 0.00 55.73 56.26 3i55 s ARG 3 Cb 0.04 -1.89 0.09 0.00 -0.45 0.00 0.00 34.95 32.74 3i55 s ARG 3 CO 0.19 -1.39 0.95 0.96 -0.68 0.00 0.00 175.30 175.33 3i55 s ILE 4 N -1.53 2.30 0.21 1.52 -4.36 -1.26 -4.91 121.20 113.16 3i55 s ILE 4 Ca 0.79 -0.53 -0.10 0.00 -0.26 0.00 0.00 60.65 60.56 3i55 s ILE 4 Cb -0.33 -2.77 0.13 0.00 1.25 0.00 0.00 42.46 40.74 3i55 s ILE 4 CO 0.36 0.00 1.81 -0.61 0.24 0.00 0.00 174.94 176.74 3i55 h GLN 5 N -0.43 0.66 -0.23 0.37 4.15 -1.95 -1.86 115.11 115.82 3i55 h GLN 5 Ca -0.40 -0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.05 3i55 h GLN 5 Cb 1.28 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 3i55 h GLN 5 CO 0.47 0.43 0.23 0.78 -1.93 0.00 0.00 178.83 178.81 3i55 h GLY 6 N 0.68 0.00 1.36 2.39 0.00 -1.99 -0.46 103.07 105.05 3i55 h GLY 6 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.33 3i55 h GLY 6 CO -0.17 0.00 -1.44 1.46 0.00 0.00 0.00 176.54 176.39 3i55 h GLN 7 N 0.00 0.23 -0.73 4.80 4.20 -1.72 -3.28 115.11 118.61 3i55 h GLN 7 Ca 0.11 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 3i55 h GLN 7 Cb 0.56 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 3i55 h GLN 7 CO -0.00 1.11 0.45 0.00 -0.67 0.00 0.00 178.83 179.72 3i55 h ARG 8 N 0.06 0.98 -0.48 1.46 -0.00 -0.71 -3.17 114.38 112.53 3i55 h ARG 8 Ca -0.21 -0.08 0.05 0.00 -0.50 0.00 0.00 59.98 59.24 3i55 h ARG 8 Cb 1.99 -0.21 -0.08 0.00 0.00 0.00 0.00 29.97 31.68 3i55 h ARG 8 CO 0.17 0.68 -0.45 0.00 0.00 0.00 0.00 179.97 180.37 3i55 h ARG 9 N 0.99 -0.20 -1.06 0.04 3.08 -1.38 -1.91 114.38 113.94 3i55 h ARG 9 Ca 0.26 0.01 0.37 0.00 0.07 0.00 0.00 59.98 60.70 3i55 h ARG 9 Cb -0.06 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 29.89 3i55 h ARG 9 CO -0.05 -0.13 0.62 0.78 -1.07 0.00 0.00 179.97 180.11 3i55 h GLY 10 N -0.21 1.97 0.80 0.04 0.00 -1.65 0.18 103.07 104.19 3i55 h GLY 10 Ca 0.08 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.28 3i55 h GLY 10 CO -0.57 -0.56 0.54 3.21 0.00 0.00 0.00 176.54 179.17 3i55 h ARG 11 N 0.18 0.00 -4.34 4.80 3.08 -1.45 -3.45 114.38 113.20 3i55 h ARG 11 Ca 0.78 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.54 3i55 h ARG 11 Cb 2.02 0.00 0.09 0.00 0.08 0.00 0.00 29.97 32.16 3i55 h ARG 11 CO -0.61 0.00 -0.49 0.41 -1.07 0.00 0.00 179.97 178.21 3i55 n GLY 12 N -1.38 -0.15 3.86 0.04 0.00 0.62 -5.02 105.19 103.15 3i55 n GLY 12 Ca 0.03 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3i55 n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i55 s THR 13 N -3.19 1.98 0.00 2.61 -4.23 -1.26 -4.72 115.64 106.82 3i55 s THR 13 Ca 0.39 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 3i55 s THR 13 Cb -0.17 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3i55 s THR 13 CO 0.49 0.00 0.79 -0.24 -0.54 0.00 0.00 174.62 175.11 3i55 n SER 14 N -3.63 0.00 -0.09 3.99 2.88 -1.26 -1.62 113.62 113.90 3i55 n SER 14 Ca 0.09 0.79 0.03 0.00 -1.33 0.00 0.00 58.87 58.45 3i55 n SER 14 Cb 0.60 -0.29 0.06 0.00 -0.75 0.00 0.00 64.21 63.84 3i55 n SER 14 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3i55 n THR 15 N -1.89 -0.10 0.07 2.46 -1.04 -1.26 0.88 114.28 113.39 3i55 n THR 15 Ca 0.00 0.56 -0.02 0.00 -2.04 0.00 0.00 64.05 62.55 3i55 n THR 15 Cb 0.00 -0.80 -0.06 0.00 -1.82 0.00 0.00 70.33 67.65 3i55 n THR 15 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3i55 h PHE 16 N 0.00 0.00 -3.69 -1.42 -1.00 -1.72 -3.41 116.94 105.70 3i55 h PHE 16 Ca 0.14 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.47 3i55 h PHE 16 Cb 0.27 0.00 0.18 0.00 3.61 0.00 0.00 35.95 40.01 3i55 h PHE 16 CO -0.15 0.69 0.14 1.03 -1.61 0.00 0.00 178.31 178.41 3i55 s ARG 17 N -2.85 0.01 -0.07 1.51 0.52 0.25 -4.16 118.95 114.15 3i55 s ARG 17 Ca 0.00 0.66 -0.03 0.00 -0.52 0.00 0.00 55.73 55.84 3i55 s ARG 17 Cb 0.08 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 3i55 s ARG 17 CO 0.79 -3.05 0.08 0.00 0.02 0.00 0.00 175.30 173.14 3i55 s ALA 18 N -2.79 3.61 -0.28 2.13 0.00 -1.26 -4.46 121.76 118.71 3i55 s ALA 18 Ca 0.66 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 3i55 s ALA 18 Cb -0.21 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 3i55 s ALA 18 CO 0.60 0.64 1.39 -0.35 0.00 0.00 0.00 175.76 178.04 3i55 n PRO 19 N 1.74 0.75 -0.23 0.00 -0.04 -1.26 -4.63 135.00 131.32 3i55 n PRO 19 Ca -0.17 -0.73 0.04 0.00 -0.04 0.00 0.00 63.50 62.60 3i55 n PRO 19 Cb 0.54 -2.05 0.14 0.00 -0.04 0.00 0.00 33.50 32.09 3i55 n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3i55 h SER 20 N 6.85 -0.26 -0.05 3.54 0.02 -1.97 0.24 113.55 121.92 3i55 h SER 20 Ca 0.16 0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.30 3i55 h SER 20 Cb 0.13 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3i55 h SER 20 CO 1.00 -0.13 0.47 1.12 -1.14 0.00 0.00 176.83 178.15 3i55 h HIS 21 N 0.13 0.00 -0.68 3.45 2.07 -2.05 1.17 115.15 119.24 3i55 h HIS 21 Ca 0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 3i55 h HIS 21 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 3i55 h HIS 21 CO -0.37 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.03 3i55 n ARG 22 N -2.88 2.97 -3.70 5.12 1.74 0.84 -4.94 116.66 115.80 3i55 n ARG 22 Ca -0.01 -2.61 -0.36 0.00 -0.77 0.00 0.00 57.85 54.11 3i55 n ARG 22 Cb 0.52 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 3i55 n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i55 s TYR 23 N -1.32 3.61 0.00 -1.55 4.12 0.40 -4.83 117.35 117.78 3i55 s TYR 23 Ca 0.48 0.68 0.00 0.00 0.02 0.00 0.00 57.07 58.25 3i55 s TYR 23 Cb 0.27 -2.06 0.00 0.00 -1.52 0.00 0.00 41.96 38.64 3i55 s TYR 23 CO 0.29 0.63 0.32 1.63 0.02 0.00 0.00 175.55 178.44 3i55 n LYS 24 N 1.38 0.00 -3.79 -0.62 5.02 -1.26 -5.03 118.16 113.86 3i55 n LYS 24 Ca -0.13 0.41 -0.09 0.00 -2.02 0.00 0.00 58.31 56.48 3i55 n LYS 24 Cb 0.53 -1.08 -0.06 0.00 -0.02 0.00 0.00 35.03 34.39 3i55 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i55 s ALA 25 N -3.06 -0.42 -1.18 7.82 0.00 -1.26 -5.07 121.76 118.59 3i55 s ALA 25 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 3i55 s ALA 25 Cb 0.00 0.56 0.21 0.00 0.00 0.00 0.00 23.12 23.89 3i55 s ALA 25 CO 0.00 -0.55 1.35 -3.47 0.00 0.00 0.00 175.76 173.08 3i55 n ASP 26 N -0.11 5.34 -4.38 0.00 4.64 -1.26 -4.98 116.55 115.79 3i55 n ASP 26 Ca -0.15 -3.01 -0.53 0.00 -1.38 0.00 0.00 54.79 49.72 3i55 n ASP 26 Cb 0.63 -1.50 -0.09 0.00 -1.04 0.00 0.00 41.12 39.12 3i55 n ASP 26 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3i55 n LEU 27 N 4.54 1.59 -4.08 -2.67 4.77 -1.26 -4.93 117.00 114.95 3i55 n LEU 27 Ca 0.33 0.46 -0.10 0.00 -0.03 0.00 0.00 56.01 56.67 3i55 n LEU 27 Cb 0.41 -1.13 -0.11 0.00 -2.33 0.00 0.00 43.42 40.26 3i55 n LEU 27 CO 0.58 -0.77 -0.38 -1.61 -1.33 0.00 0.00 177.39 173.89 3i55 s GLU 28 N 6.33 0.58 0.02 3.23 2.02 -1.26 -4.87 118.70 124.75 3i55 s GLU 28 Ca 1.14 -0.99 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 3i55 s GLU 28 Cb -1.07 -0.05 -0.06 0.00 0.10 0.00 0.00 34.13 33.04 3i55 s GLU 28 CO 0.54 -0.03 1.50 -1.01 0.02 0.00 0.00 175.26 176.28 3i55 s HIS 29 N -2.63 2.68 1.00 1.61 3.76 -1.21 -4.98 115.29 115.51 3i55 s HIS 29 Ca -0.01 0.63 -0.13 0.00 -0.15 0.00 0.00 55.06 55.39 3i55 s HIS 29 Cb -0.01 -3.78 0.11 0.00 1.11 0.00 0.00 32.58 30.01 3i55 s HIS 29 CO -0.04 -2.98 0.60 -2.13 -0.85 0.00 0.00 174.74 169.34 3i55 n ARG 30 N 5.51 -0.84 -4.42 1.40 0.63 -1.26 -4.89 116.66 112.79 3i55 n ARG 30 Ca 0.14 -0.20 -0.34 0.00 -0.92 0.00 0.00 57.85 56.53 3i55 n ARG 30 Cb 0.42 -2.00 -0.10 0.00 0.45 0.00 0.00 32.46 31.24 3i55 n ARG 30 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3i55 s LYS 31 N -3.95 2.88 -0.02 -0.14 1.02 -1.26 -5.07 119.74 113.19 3i55 s LYS 31 Ca 0.61 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 56.12 3i55 s LYS 31 Cb -0.21 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 3i55 s LYS 31 CO 0.65 0.68 -0.01 0.08 -0.92 0.00 0.00 175.35 175.82 3i55 s VAL 32 N -0.91 0.24 0.23 3.17 1.01 -1.26 -5.03 120.40 117.85 3i55 s VAL 32 Ca 0.14 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 3i55 s VAL 32 Cb -0.11 -0.29 0.19 0.00 0.00 0.00 0.00 36.38 36.17 3i55 s VAL 32 CO 0.04 0.13 1.73 -0.33 0.00 0.00 0.00 175.10 176.67 3i55 h GLU 33 N 6.90 0.40 0.00 2.72 3.07 -2.01 -3.47 114.58 122.18 3i55 h GLU 33 Ca -0.38 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3i55 h GLU 33 Cb 1.15 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3i55 h GLU 33 CO 0.49 0.26 0.00 -3.47 -1.40 0.00 0.00 179.01 174.89 3i55 n ASP 34 N -5.02 0.00 0.00 1.42 -0.08 -1.26 -5.12 116.55 106.49 3i55 n ASP 34 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 3i55 n ASP 34 Cb 0.36 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.82 3i55 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i55 n GLY 35 N -0.02 1.60 0.00 0.27 0.00 -1.26 -4.65 105.19 101.13 3i55 n GLY 35 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i55 n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i55 n ASP 36 N 7.81 0.00 -2.71 1.61 2.03 -1.26 -2.93 116.55 121.09 3i55 n ASP 36 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i55 n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i55 n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3i55 n VAL 37 N 0.00 0.00 -3.80 5.18 0.24 -1.26 -4.55 118.33 114.14 3i55 n VAL 37 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 3i55 n VAL 37 Cb 0.00 -1.22 -0.17 0.00 -1.47 0.00 0.00 33.84 30.98 3i55 n VAL 37 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i55 s ILE 38 N 2.86 0.06 -0.29 1.34 -1.09 -1.26 -5.03 121.20 117.80 3i55 s ILE 38 Ca 0.00 0.22 -0.15 0.00 -2.23 0.00 0.00 60.65 58.49 3i55 s ILE 38 Cb 0.00 -0.22 0.15 0.00 -1.58 0.00 0.00 42.46 40.80 3i55 s ILE 38 CO 0.00 0.16 0.94 0.00 -1.23 0.00 0.00 174.94 174.81 3i55 s ALA 39 N 1.50 -2.40 0.41 9.38 0.00 -1.26 -0.81 121.76 128.58 3i55 s ALA 39 Ca -0.03 2.17 0.03 0.00 0.00 0.00 0.00 51.96 54.12 3i55 s ALA 39 Cb -0.13 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.19 3i55 s ALA 39 CO -0.03 -0.62 0.21 0.41 0.00 0.00 0.00 175.76 175.73 3i55 n GLY 40 N 4.35 3.11 3.29 0.00 0.00 -0.95 -3.33 105.19 111.66 3i55 n GLY 40 Ca -0.15 -2.29 -0.31 0.00 0.00 0.00 0.00 46.02 43.27 3i55 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i55 s THR 41 N -2.21 2.04 -0.16 2.61 2.01 0.06 -1.72 115.64 118.27 3i55 s THR 41 Ca 0.16 -1.08 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 3i55 s THR 41 Cb -0.01 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 3i55 s THR 41 CO 0.10 0.57 1.93 -0.69 -0.69 0.00 0.00 174.62 175.85 3i55 s VAL 42 N -0.39 3.27 -0.16 3.82 1.01 0.24 -2.51 120.40 125.67 3i55 s VAL 42 Ca 0.03 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 3i55 s VAL 42 Cb -0.12 -3.28 -0.23 0.00 0.00 0.00 0.00 36.38 32.75 3i55 s VAL 42 CO 0.01 -0.13 0.20 0.52 0.00 0.00 0.00 175.10 175.71 3i55 n VAL 43 N 6.75 1.69 -4.09 2.92 0.31 0.32 0.53 118.33 126.76 3i55 n VAL 43 Ca 0.23 -0.58 -0.10 0.00 -0.01 0.00 0.00 64.34 63.89 3i55 n VAL 43 Cb 0.44 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 31.59 3i55 n VAL 43 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i55 s ASP 44 N -6.93 0.15 -0.41 4.52 -1.08 -0.99 -4.81 116.67 107.12 3i55 s ASP 44 Ca -0.26 -1.13 0.01 0.00 -0.52 0.00 0.00 52.55 50.65 3i55 s ASP 44 Cb 0.07 0.39 0.14 0.00 -1.46 0.00 0.00 42.92 42.06 3i55 s ASP 44 CO 0.71 -0.85 0.22 -0.63 0.52 0.00 0.00 175.17 175.14 3i55 s ILE 45 N -4.05 0.96 0.54 4.11 -1.09 -1.26 -0.64 121.20 119.76 3i55 s ILE 45 Ca 0.26 -2.23 0.03 0.00 -2.23 0.00 0.00 60.65 56.48 3i55 s ILE 45 Cb 0.05 -1.68 0.04 0.00 -1.58 0.00 0.00 42.46 39.30 3i55 s ILE 45 CO 0.05 -0.92 0.75 -1.61 -1.23 0.00 0.00 174.94 171.98 3i55 s GLU 46 N 0.64 2.50 -0.26 2.79 2.02 0.57 -4.84 118.70 122.11 3i55 s GLU 46 Ca 0.18 -0.96 -0.09 0.00 0.02 0.00 0.00 54.97 54.11 3i55 s GLU 46 Cb -0.24 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 3i55 s GLU 46 CO 0.00 -0.70 0.12 -1.58 0.02 0.00 0.00 175.26 173.12 3i55 s HIS 47 N -2.71 3.14 -0.27 1.61 5.65 -1.26 0.76 115.29 122.22 3i55 s HIS 47 Ca 0.58 -0.22 -0.18 0.00 0.25 0.00 0.00 55.06 55.49 3i55 s HIS 47 Cb -0.09 -2.30 -0.03 0.00 -1.18 0.00 0.00 32.58 28.98 3i55 s HIS 47 CO 0.38 -0.29 0.52 0.34 -0.65 0.00 0.00 174.74 175.04 3i55 s ASP 48 N 1.67 6.43 0.30 9.88 2.15 -1.10 -4.94 116.67 131.06 3i55 s ASP 48 Ca 0.07 0.50 0.01 0.00 0.43 0.00 0.00 52.55 53.56 3i55 s ASP 48 Cb -0.16 -2.28 0.56 0.00 -0.30 0.00 0.00 42.92 40.74 3i55 s ASP 48 CO 0.07 -0.30 1.89 -0.65 -0.17 0.00 0.00 175.17 176.00 3i55 h PRO 49 N 8.04 0.97 0.00 4.34 0.11 -1.89 -1.05 132.00 142.53 3i55 h PRO 49 Ca -0.29 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3i55 h PRO 49 Cb 1.14 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3i55 h PRO 49 CO 0.72 0.64 -0.10 0.00 -0.21 0.00 0.00 178.00 179.05 3i55 h ALA 50 N 1.52 1.06 0.00 -0.75 0.00 -1.90 -3.33 119.26 115.86 3i55 h ALA 50 Ca 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3i55 h ALA 50 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i55 h ALA 50 CO -0.18 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.73 3i55 n ARG 51 N -3.30 2.91 -1.05 0.00 1.74 -1.01 -5.00 116.66 110.96 3i55 n ARG 51 Ca -0.00 -0.13 -0.04 0.00 -0.77 0.00 0.00 57.85 56.91 3i55 n ARG 51 Cb 0.31 -0.55 -0.02 0.00 -1.02 0.00 0.00 32.46 31.19 3i55 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3i55 n SER 52 N -0.45 -5.57 -4.84 0.55 7.64 -0.43 -4.80 113.62 105.70 3i55 n SER 52 Ca 0.00 0.09 -0.22 0.00 1.01 0.00 0.00 58.87 59.74 3i55 n SER 52 Cb 0.03 -3.56 -0.04 0.00 -1.01 0.00 0.00 64.21 59.63 3i55 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i55 s ALA 53 N -1.25 3.98 0.25 -0.43 0.00 -1.26 -4.96 121.76 118.09 3i55 s ALA 53 Ca 0.00 -1.89 -0.15 0.00 0.00 0.00 0.00 51.96 49.91 3i55 s ALA 53 Cb 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 23.12 22.21 3i55 s ALA 53 CO 0.00 -0.24 0.67 -1.25 0.00 0.00 0.00 175.76 174.94 3i55 s PRO 54 N -4.09 4.03 -0.05 0.00 0.04 -1.26 -2.73 135.00 130.94 3i55 s PRO 54 Ca 0.45 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.11 3i55 s PRO 54 Cb -0.01 -2.68 0.03 0.00 0.04 0.00 0.00 34.50 31.87 3i55 s PRO 54 CO 0.26 0.31 -0.01 0.54 0.04 0.00 0.00 177.00 178.13 3i55 s VAL 55 N -1.74 0.35 0.18 -0.36 0.11 0.23 -3.54 120.40 115.64 3i55 s VAL 55 Ca 0.47 0.03 -0.24 0.00 -2.93 0.00 0.00 61.98 59.31 3i55 s VAL 55 Cb -0.13 -0.45 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 3i55 s VAL 55 CO 0.19 0.21 0.77 0.00 -3.33 0.00 0.00 175.10 172.94 3i55 s ALA 56 N 1.28 3.43 -0.36 1.54 0.00 -0.63 -0.32 121.76 126.71 3i55 s ALA 56 Ca -0.06 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 3i55 s ALA 56 Cb -0.13 -2.93 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 3i55 s ALA 56 CO -0.02 0.30 0.36 0.00 0.00 0.00 0.00 175.76 176.40 3i55 s ALA 57 N -1.24 3.48 0.05 0.00 0.00 0.18 0.48 121.76 124.71 3i55 s ALA 57 Ca 0.38 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3i55 s ALA 57 Cb -0.22 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3i55 s ALA 57 CO 0.25 -1.19 -0.05 0.08 0.00 0.00 0.00 175.76 174.85 3i55 s VAL 58 N 1.99 3.75 -0.14 0.00 1.01 -1.00 -0.52 120.40 125.49 3i55 s VAL 58 Ca 0.11 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3i55 s VAL 58 Cb -0.17 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.53 3i55 s VAL 58 CO 0.12 0.26 -0.19 -0.70 0.00 0.00 0.00 175.10 174.59 3i55 s GLU 59 N -1.83 2.69 0.45 2.72 2.12 -1.05 -2.15 118.70 121.66 3i55 s GLU 59 Ca 0.20 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 3i55 s GLU 59 Cb -0.11 -2.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.99 3i55 s GLU 59 CO 0.12 -0.10 0.71 -0.06 -0.54 0.00 0.00 175.26 175.39 3i55 s PHE 60 N 1.06 3.41 0.53 5.30 0.40 -0.55 -0.76 117.98 127.36 3i55 s PHE 60 Ca -0.03 0.51 0.34 0.00 -0.60 0.00 0.00 56.93 57.15 3i55 s PHE 60 Cb -0.14 -2.26 1.50 0.00 0.51 0.00 0.00 43.02 42.62 3i55 s PHE 60 CO -0.05 -0.28 1.81 0.93 0.70 0.00 0.00 175.22 178.34 3i55 h GLU 61 N 0.35 0.04 -0.00 0.44 5.08 -1.90 0.31 114.58 118.90 3i55 h GLU 61 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3i55 h GLU 61 Cb 1.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3i55 h GLU 61 CO 0.60 0.02 -0.32 -0.40 -1.00 0.00 0.00 179.01 177.92 3i55 n ASP 62 N -4.24 0.40 0.00 1.42 5.75 -1.26 -4.93 116.55 113.70 3i55 n ASP 62 Ca 0.24 -0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 3i55 n ASP 62 Cb 1.17 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.27 3i55 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i55 n GLY 63 N 1.47 1.41 3.67 6.12 0.00 0.11 -5.08 105.19 112.89 3i55 n GLY 63 Ca 0.07 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3i55 n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i55 s ASP 64 N -2.27 6.19 -0.28 1.61 -1.08 -1.25 -4.90 116.67 114.69 3i55 s ASP 64 Ca 0.00 0.21 -0.09 0.00 -0.52 0.00 0.00 52.55 52.15 3i55 s ASP 64 Cb 0.00 -2.13 -0.02 0.00 -1.46 0.00 0.00 42.92 39.31 3i55 s ASP 64 CO 0.00 0.04 0.12 -0.60 0.52 0.00 0.00 175.17 175.25 3i55 s ARG 65 N 1.08 3.54 -0.17 4.34 6.06 -1.26 -1.48 118.95 131.06 3i55 s ARG 65 Ca 0.10 -0.57 -0.13 0.00 -2.50 0.00 0.00 55.73 52.62 3i55 s ARG 65 Cb -0.14 -3.48 0.05 0.00 0.06 0.00 0.00 34.95 31.44 3i55 s ARG 65 CO 0.05 -0.30 0.44 1.03 -2.50 0.00 0.00 175.30 174.02 3i55 s ARG 66 N 1.63 0.48 0.39 5.12 0.52 -0.91 -5.04 118.95 121.14 3i55 s ARG 66 Ca 0.06 0.68 -0.25 0.00 -0.52 0.00 0.00 55.73 55.70 3i55 s ARG 66 Cb -0.16 0.16 -0.09 0.00 0.52 0.00 0.00 34.95 35.39 3i55 s ARG 66 CO 0.06 -0.09 1.13 -0.51 0.02 0.00 0.00 175.30 175.91 3i55 s LEU 67 N 0.62 4.20 0.05 2.53 1.43 -1.26 -2.36 118.68 123.89 3i55 s LEU 67 Ca -0.03 2.25 0.04 0.00 -1.03 0.00 0.00 54.13 55.37 3i55 s LEU 67 Cb -0.05 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 3i55 s LEU 67 CO -0.04 -0.59 -0.13 -0.51 0.23 0.00 0.00 176.35 175.31 3i55 s ILE 68 N -1.46 0.99 -0.13 -0.59 1.10 0.18 -4.64 121.20 116.65 3i55 s ILE 68 Ca 0.56 -1.06 -0.29 0.00 -0.51 0.00 0.00 60.65 59.35 3i55 s ILE 68 Cb -0.28 -0.93 -0.06 0.00 0.15 0.00 0.00 42.46 41.34 3i55 s ILE 68 CO 0.36 -0.11 1.93 -0.22 -2.11 0.00 0.00 174.94 174.78 3i55 s LEU 69 N -1.32 3.95 -0.31 8.50 2.96 -1.26 -1.61 118.68 129.59 3i55 s LEU 69 Ca -0.01 2.08 -0.29 0.00 -0.22 0.00 0.00 54.13 55.69 3i55 s LEU 69 Cb -0.08 -3.52 0.01 0.00 0.50 0.00 0.00 46.19 43.09 3i55 s LEU 69 CO 0.01 -1.40 1.11 0.00 -1.32 0.00 0.00 176.35 174.76 3i55 s ALA 70 N 5.89 3.50 0.37 5.97 0.00 -1.23 -4.84 121.76 131.41 3i55 s ALA 70 Ca 0.86 -0.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 3i55 s ALA 70 Cb -0.34 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.04 3i55 s ALA 70 CO 0.35 -1.49 0.71 -2.14 0.00 0.00 0.00 175.76 173.19 3i55 s PRO 71 N 3.69 3.76 0.47 0.00 0.02 -1.26 -0.34 135.00 141.34 3i55 s PRO 71 Ca 0.47 0.37 -0.22 0.00 0.02 0.00 0.00 61.00 61.64 3i55 s PRO 71 Cb -0.13 -2.46 -0.10 0.00 0.02 0.00 0.00 34.50 31.83 3i55 s PRO 71 CO 0.16 0.05 0.79 -1.91 -0.33 0.00 0.00 177.00 175.76 3i55 n GLU 72 N -1.10 0.93 0.00 5.54 2.13 0.15 -3.39 120.64 124.90 3i55 n GLU 72 Ca 0.01 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.17 3i55 n GLU 72 Cb 0.54 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.40 3i55 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i55 n GLY 73 N 1.47 2.02 1.58 8.31 0.00 -1.26 -4.81 105.19 112.50 3i55 n GLY 73 Ca 0.11 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 3i55 n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i55 n VAL 74 N 0.00 0.00 -3.26 1.61 0.31 -1.22 -4.92 118.33 110.85 3i55 n VAL 74 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3i55 n VAL 74 Cb 0.00 -0.24 0.02 0.00 -0.91 0.00 0.00 33.84 32.72 3i55 n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i55 n GLY 75 N 3.37 2.29 3.82 2.92 0.00 -1.26 -4.98 105.19 111.35 3i55 n GLY 75 Ca 0.28 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 3i55 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i55 s VAL 76 N -1.02 4.46 0.00 1.61 1.01 -1.26 -3.61 120.40 121.59 3i55 s VAL 76 Ca 0.25 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.60 3i55 s VAL 76 Cb -0.02 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3i55 s VAL 76 CO 0.16 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3i55 n GLY 77 N -0.32 3.22 3.78 4.51 0.00 0.19 -4.97 105.19 111.60 3i55 n GLY 77 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3i55 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i55 s ASP 78 N -1.07 4.94 -0.12 1.61 1.11 -1.24 -4.65 116.67 117.25 3i55 s ASP 78 Ca 0.00 1.86 0.02 0.00 0.18 0.00 0.00 52.55 54.61 3i55 s ASP 78 Cb 0.00 -2.53 -0.00 0.00 1.07 0.00 0.00 42.92 41.46 3i55 s ASP 78 CO 0.00 -1.74 -0.20 -0.70 1.18 0.00 0.00 175.17 173.71 3i55 s GLU 79 N -4.57 3.13 0.17 8.23 2.12 -1.26 0.81 118.70 127.32 3i55 s GLU 79 Ca 0.63 -0.82 0.09 0.00 0.36 0.00 0.00 54.97 55.23 3i55 s GLU 79 Cb -0.18 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 3i55 s GLU 79 CO 0.49 0.11 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.68 3i55 s LEU 80 N 0.53 2.84 0.16 2.70 1.43 -0.70 -5.00 118.68 120.64 3i55 s LEU 80 Ca -0.13 -0.62 0.10 0.00 -1.03 0.00 0.00 54.13 52.45 3i55 s LEU 80 Cb -0.17 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3i55 s LEU 80 CO 0.04 0.12 -0.23 -1.10 0.23 0.00 0.00 176.35 175.41 3i55 s GLN 81 N -2.68 1.39 -0.08 1.70 -0.21 -1.26 -2.24 119.66 116.28 3i55 s GLN 81 Ca 0.23 -1.41 -0.00 0.00 0.02 0.00 0.00 55.36 54.20 3i55 s GLN 81 Cb -0.09 -1.69 0.02 0.00 1.00 0.00 0.00 33.01 32.25 3i55 s GLN 81 CO 0.13 0.37 -0.04 0.08 -2.12 0.00 0.00 175.29 173.72 3i55 s VAL 82 N -1.53 0.62 0.00 1.09 1.01 0.01 -2.08 120.40 119.51 3i55 s VAL 82 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3i55 s VAL 82 Cb -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.60 3i55 s VAL 82 CO 0.08 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.07 3i55 n GLY 83 N 4.76 2.77 0.28 4.51 0.00 -0.95 -3.99 105.19 112.58 3i55 n GLY 83 Ca -0.13 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 44.69 3i55 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i55 h VAL 84 N 1.00 0.39 -0.25 1.61 2.07 -1.83 -1.41 116.25 117.83 3i55 h VAL 84 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3i55 h VAL 84 Cb 0.00 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3i55 h VAL 84 CO 0.00 0.07 0.00 -1.20 0.02 0.00 0.00 177.57 176.46 3i55 n SER 85 N -3.50 3.08 -4.70 0.57 7.64 -1.20 -4.93 113.62 110.58 3i55 n SER 85 Ca -0.02 -1.91 -0.44 0.00 1.01 0.00 0.00 58.87 57.51 3i55 n SER 85 Cb 0.20 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 3i55 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i55 n ALA 86 N 1.24 2.16 -1.59 -0.43 0.00 -0.53 -4.91 120.51 116.45 3i55 n ALA 86 Ca 0.15 0.40 -0.40 0.00 0.00 0.00 0.00 53.44 53.60 3i55 n ALA 86 Cb 0.54 -2.47 0.03 0.00 0.00 0.00 0.00 19.45 17.54 3i55 n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i55 n GLU 87 N 4.11 1.10 -1.71 0.00 2.13 -1.26 -4.86 120.64 120.15 3i55 n GLU 87 Ca 0.17 0.40 -0.41 0.00 0.66 0.00 0.00 57.16 57.98 3i55 n GLU 87 Cb 0.33 -2.02 -0.01 0.00 0.27 0.00 0.00 31.44 30.01 3i55 n GLU 87 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3i55 n ILE 88 N -0.99 3.78 -4.43 6.31 5.41 -1.26 -4.81 119.36 123.37 3i55 n ILE 88 Ca 0.11 -3.10 -0.24 0.00 1.00 0.00 0.00 62.75 60.51 3i55 n ILE 88 Cb 0.42 -2.57 -0.11 0.00 -0.71 0.00 0.00 39.64 36.68 3i55 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i55 s ALA 89 N 2.56 2.52 0.14 -1.39 0.00 -1.26 -5.08 121.76 119.25 3i55 s ALA 89 Ca 0.51 -1.73 -0.32 0.00 0.00 0.00 0.00 51.96 50.41 3i55 s ALA 89 Cb 0.15 -0.26 -0.12 0.00 0.00 0.00 0.00 23.12 22.89 3i55 s ALA 89 CO -0.07 0.31 1.75 -2.30 0.00 0.00 0.00 175.76 175.44 3i55 n PRO 90 N -0.19 2.58 0.00 0.00 -0.02 -1.26 -2.13 135.00 133.98 3i55 n PRO 90 Ca -0.09 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3i55 n PRO 90 Cb 0.58 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3i55 n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i55 n GLY 91 N 3.97 3.01 3.76 -1.23 0.00 0.82 -4.86 105.19 110.67 3i55 n GLY 91 Ca 0.18 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 3i55 n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i55 s ASN 92 N 0.00 4.97 -0.03 1.61 -0.87 -0.91 -4.60 114.94 115.11 3i55 s ASN 92 Ca 0.00 2.10 0.06 0.00 -1.57 0.00 0.00 52.86 53.45 3i55 s ASN 92 Cb 0.00 -2.56 -0.01 0.00 -0.02 0.00 0.00 41.25 38.65 3i55 s ASN 92 CO 0.00 -1.73 -0.22 -0.89 -2.57 0.00 0.00 177.10 171.69 3i55 s THR 93 N -2.20 1.80 -0.09 1.60 2.01 -0.89 -2.35 115.64 115.52 3i55 s THR 93 Ca 0.69 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 3i55 s THR 93 Cb -0.23 -1.51 0.10 0.00 0.01 0.00 0.00 72.50 70.88 3i55 s THR 93 CO 0.41 0.51 0.85 -1.48 -0.69 0.00 0.00 174.62 174.22 3i55 s LEU 94 N -0.34 -0.48 0.63 4.42 2.34 -0.89 -2.24 118.68 122.11 3i55 s LEU 94 Ca 0.04 0.46 -0.17 0.00 0.06 0.00 0.00 54.13 54.51 3i55 s LEU 94 Cb -0.10 2.16 -0.11 0.00 -0.56 0.00 0.00 46.19 47.58 3i55 s LEU 94 CO 0.01 -0.50 0.10 -0.81 -1.06 0.00 0.00 176.35 174.09 3i55 n PRO 95 N 0.65 0.19 -0.34 1.48 -0.04 -1.26 -2.80 135.00 132.88 3i55 n PRO 95 Ca -0.14 0.08 0.09 0.00 -0.04 0.00 0.00 63.50 63.50 3i55 n PRO 95 Cb 0.58 -1.36 0.27 0.00 -0.04 0.00 0.00 33.50 32.95 3i55 n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i55 h LEU 96 N -0.16 0.74 -0.03 1.53 3.38 -0.46 -2.73 115.31 117.59 3i55 h LEU 96 Ca -0.43 0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.65 3i55 h LEU 96 Cb 1.40 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 3i55 h LEU 96 CO 0.41 0.31 -0.37 0.00 0.09 0.00 0.00 178.44 178.88 3i55 h ALA 97 N 1.59 -0.55 0.00 1.53 0.00 -1.74 -0.47 119.26 119.62 3i55 h ALA 97 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3i55 h ALA 97 Cb 0.71 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3i55 h ALA 97 CO -0.35 -0.89 0.09 0.39 0.00 0.00 0.00 179.25 178.50 3i55 n GLU 98 N -5.43 0.03 -3.18 0.00 -0.58 -1.03 -4.57 120.64 105.88 3i55 n GLU 98 Ca -0.05 0.47 -0.40 0.00 -0.42 0.00 0.00 57.16 56.76 3i55 n GLU 98 Cb 0.35 -1.68 -0.06 0.00 -0.57 0.00 0.00 31.44 29.47 3i55 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i55 s ILE 99 N -2.99 5.06 0.27 -3.67 -1.09 -0.19 -4.99 121.20 113.60 3i55 s ILE 99 Ca -0.00 1.07 -0.30 0.00 -2.23 0.00 0.00 60.65 59.18 3i55 s ILE 99 Cb 0.01 -3.89 -0.11 0.00 -1.58 0.00 0.00 42.46 36.89 3i55 s ILE 99 CO 0.04 0.13 1.51 -2.16 -1.23 0.00 0.00 174.94 173.24 3i55 s PRO 100 N 1.86 4.19 0.76 2.79 0.04 -1.26 -4.95 135.00 138.43 3i55 s PRO 100 Ca 0.26 2.44 -0.15 0.00 0.04 0.00 0.00 61.00 63.59 3i55 s PRO 100 Cb -0.16 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 3i55 s PRO 100 CO 0.10 -0.52 0.68 0.39 0.04 0.00 0.00 177.00 177.69 3i55 n GLU 101 N 2.20 0.25 -1.37 4.56 1.02 -1.26 -3.09 120.64 122.95 3i55 n GLU 101 Ca 0.07 0.14 -0.08 0.00 -0.02 0.00 0.00 57.16 57.27 3i55 n GLU 101 Cb 0.39 -1.99 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 3i55 n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i55 n GLY 102 N 1.39 0.88 3.36 0.62 0.00 0.02 -5.02 105.19 106.44 3i55 n GLY 102 Ca 0.11 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 3i55 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i55 s VAL 103 N -2.32 3.01 -0.21 1.61 1.01 -1.18 -4.93 120.40 117.39 3i55 s VAL 103 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3i55 s VAL 103 Cb 0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3i55 s VAL 103 CO 0.00 0.52 1.53 -2.84 0.00 0.00 0.00 175.10 174.32 3i55 s PRO 104 N 0.39 3.90 0.23 2.72 0.02 -1.26 -3.02 135.00 137.97 3i55 s PRO 104 Ca -0.11 1.65 0.12 0.00 0.02 0.00 0.00 61.00 62.68 3i55 s PRO 104 Cb -0.16 -3.98 -0.05 0.00 0.02 0.00 0.00 34.50 30.34 3i55 s PRO 104 CO 0.05 -1.16 -0.22 0.14 -0.33 0.00 0.00 177.00 175.49 3i55 s VAL 105 N 4.77 2.43 0.28 3.83 -7.23 -0.36 0.41 120.40 124.52 3i55 s VAL 105 Ca 0.67 -2.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3i55 s VAL 105 Cb -0.24 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 3i55 s VAL 105 CO 0.27 -0.23 0.09 0.00 -0.31 0.00 0.00 175.10 174.92 3i55 n ASN 107 N -0.58 -6.12 -4.73 0.00 5.15 0.58 -1.56 115.26 108.01 3i55 n ASN 107 Ca -0.01 -0.58 -0.35 0.00 -0.60 0.00 0.00 54.58 53.05 3i55 n ASN 107 Cb 0.66 -3.23 -0.08 0.00 -0.53 0.00 0.00 39.78 36.61 3i55 n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3i55 s VAL 108 N -2.98 5.37 0.48 3.44 1.01 0.64 -3.87 120.40 124.50 3i55 s VAL 108 Ca 0.01 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 3i55 s VAL 108 Cb -0.00 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 3i55 s VAL 108 CO 0.83 0.45 1.07 -1.61 0.00 0.00 0.00 175.10 175.84 3i55 s GLU 109 N 0.29 3.75 -0.23 2.72 2.02 -0.89 -0.31 118.70 126.05 3i55 s GLU 109 Ca 0.08 1.46 -0.16 0.00 0.02 0.00 0.00 54.97 56.37 3i55 s GLU 109 Cb -0.11 -2.15 -0.17 0.00 0.10 0.00 0.00 34.13 31.80 3i55 s GLU 109 CO -0.02 -0.49 -0.03 0.45 0.02 0.00 0.00 175.26 175.20 3i55 n SER 110 N -0.88 1.93 -4.41 -0.19 2.88 -1.26 -4.79 113.62 106.89 3i55 n SER 110 Ca 0.09 0.33 -0.36 0.00 -1.33 0.00 0.00 58.87 57.60 3i55 n SER 110 Cb 0.51 -0.86 -0.13 0.00 -0.75 0.00 0.00 64.21 62.99 3i55 n SER 110 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3i55 s SER 111 N -7.11 4.84 -0.25 -3.46 0.15 -1.26 -4.71 113.70 101.90 3i55 s SER 111 Ca -0.33 -0.25 -0.36 0.00 0.70 0.00 0.00 55.95 55.72 3i55 s SER 111 Cb 0.10 -1.85 -0.12 0.00 -1.71 0.00 0.00 66.02 62.44 3i55 s SER 111 CO 0.57 -0.00 1.99 -0.81 1.20 0.00 0.00 173.24 176.19 3i55 n PRO 112 N 4.69 1.47 0.00 5.44 -0.04 -1.26 -0.98 135.00 144.33 3i55 n PRO 112 Ca -0.17 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 3i55 n PRO 112 Cb 0.51 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3i55 n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i55 n GLY 113 N 5.31 1.01 0.22 0.55 0.00 -1.26 -4.95 105.19 106.07 3i55 n GLY 113 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 3i55 n GLY 113 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3i55 h ASP 114 N 0.00 0.30 0.00 1.61 3.04 -1.48 -3.48 116.42 116.42 3i55 h ASP 114 Ca 0.00 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 3i55 h ASP 114 Cb 0.00 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.21 3i55 h ASP 114 CO 0.00 0.61 0.00 0.61 -2.04 0.00 0.00 179.24 178.42 3i55 n GLY 115 N -0.38 1.68 0.00 7.15 0.00 -1.26 -4.92 105.19 107.46 3i55 n GLY 115 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i55 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 116 N -1.00 0.79 2.00 -0.02 0.00 -1.26 -3.33 105.19 102.37 3i55 n GLY 116 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3i55 n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i55 n LYS 117 N 2.03 0.00 -3.52 1.61 4.76 0.58 -4.82 118.16 118.80 3i55 n LYS 117 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 3i55 n LYS 117 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 3i55 n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i55 s PHE 118 N -2.00 3.48 -0.20 2.13 0.40 0.36 -4.75 117.98 117.40 3i55 s PHE 118 Ca 0.00 0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 56.80 3i55 s PHE 118 Cb 0.00 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.56 3i55 s PHE 118 CO 0.00 0.27 0.02 0.00 0.70 0.00 0.00 175.22 176.21 3i55 n ALA 119 N -0.84 -2.93 -1.04 5.36 0.00 -1.26 -0.26 120.51 119.54 3i55 n ALA 119 Ca -0.03 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3i55 n ALA 119 Cb 0.54 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3i55 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i55 n ARG 120 N 0.89 0.00 -1.66 0.00 1.74 -1.26 0.22 116.66 116.58 3i55 n ARG 120 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 3i55 n ARG 120 Cb 0.20 -0.35 0.14 0.00 -1.02 0.00 0.00 32.46 31.42 3i55 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i55 s ALA 121 N 0.00 2.00 0.06 7.54 0.00 -1.26 -4.94 121.76 125.16 3i55 s ALA 121 Ca 0.00 -0.68 -0.32 0.00 0.00 0.00 0.00 51.96 50.96 3i55 s ALA 121 Cb 0.00 -2.97 -0.11 0.00 0.00 0.00 0.00 23.12 20.04 3i55 s ALA 121 CO 0.00 -2.22 1.85 0.43 0.00 0.00 0.00 175.76 175.81 3i55 n SER 122 N -3.71 3.84 0.00 0.00 7.64 -1.26 -2.75 113.62 117.38 3i55 n SER 122 Ca 0.09 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.94 3i55 n SER 122 Cb 0.60 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 3i55 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i55 n GLY 123 N 4.24 0.00 3.79 0.23 0.00 0.23 -4.52 105.19 109.16 3i55 n GLY 123 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3i55 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i55 s VAL 124 N -0.99 2.06 -0.27 1.61 -7.23 -1.11 -4.52 120.40 109.94 3i55 s VAL 124 Ca 0.00 0.02 -0.26 0.00 -1.81 0.00 0.00 61.98 59.93 3i55 s VAL 124 Cb 0.00 -2.77 0.14 0.00 0.56 0.00 0.00 36.38 34.31 3i55 s VAL 124 CO 0.00 -0.03 1.13 0.54 -0.31 0.00 0.00 175.10 176.44 3i55 s ASN 125 N -4.03 -0.34 0.56 4.85 2.20 -1.26 -1.79 114.94 115.13 3i55 s ASN 125 Ca 0.64 0.63 -0.02 0.00 -0.94 0.00 0.00 52.86 53.16 3i55 s ASN 125 Cb -0.15 0.62 0.03 0.00 -2.00 0.00 0.00 41.25 39.75 3i55 s ASN 125 CO 0.53 -0.13 0.82 0.00 -2.94 0.00 0.00 177.10 175.38 3i55 s ALA 126 N 0.03 3.61 -0.08 3.54 0.00 0.43 -4.20 121.76 125.08 3i55 s ALA 126 Ca 0.04 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3i55 s ALA 126 Cb -0.04 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.81 3i55 s ALA 126 CO -0.08 -0.78 -0.08 -1.14 0.00 0.00 0.00 175.76 173.68 3i55 s GLN 127 N -4.85 1.42 -0.10 0.00 2.00 -0.16 -1.22 119.66 116.75 3i55 s GLN 127 Ca 0.55 -0.26 -0.25 0.00 -2.00 0.00 0.00 55.36 53.40 3i55 s GLN 127 Cb -0.10 -1.37 -0.03 0.00 0.80 0.00 0.00 33.01 32.31 3i55 s GLN 127 CO 0.41 -0.14 0.80 -1.17 -0.50 0.00 0.00 175.29 174.69 3i55 s LEU 128 N 1.25 4.27 0.00 3.68 2.96 -1.17 -0.45 118.68 129.22 3i55 s LEU 128 Ca -0.04 1.26 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 3i55 s LEU 128 Cb -0.14 -3.23 0.00 0.00 0.50 0.00 0.00 46.19 43.32 3i55 s LEU 128 CO -0.03 -0.26 0.00 0.18 -1.32 0.00 0.00 176.35 174.92 3i55 n LEU 129 N 4.41 0.00 -4.83 -0.68 4.77 -0.53 -0.80 117.00 119.35 3i55 n LEU 129 Ca 0.02 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.63 3i55 n LEU 129 Cb 0.50 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3i55 n LEU 129 CO 0.48 -0.17 0.22 -0.89 -1.33 0.00 0.00 177.39 175.70 3i55 s THR 130 N -0.34 4.84 0.11 -5.08 2.01 -1.21 -4.61 115.64 111.36 3i55 s THR 130 Ca 0.00 1.01 0.10 0.00 0.31 0.00 0.00 61.69 63.11 3i55 s THR 130 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3i55 s THR 130 CO 0.00 0.46 -0.24 -2.28 -0.69 0.00 0.00 174.62 171.87 3i55 s HIS 131 N -1.21 2.38 0.29 4.92 2.46 -1.26 -2.33 115.29 120.54 3i55 s HIS 131 Ca 0.31 -0.35 -0.09 0.00 0.47 0.00 0.00 55.06 55.40 3i55 s HIS 131 Cb -0.17 -1.31 0.04 0.00 -0.13 0.00 0.00 32.58 31.00 3i55 s HIS 131 CO 0.18 0.31 0.55 -3.47 -2.47 0.00 0.00 174.74 169.84 3i55 n ASP 132 N 1.06 -1.59 -0.37 9.88 4.64 -0.98 -4.98 116.55 124.22 3i55 n ASP 132 Ca -0.17 -2.26 0.12 0.00 -1.38 0.00 0.00 54.79 51.10 3i55 n ASP 132 Cb 0.53 2.69 0.24 0.00 -1.04 0.00 0.00 41.12 43.54 3i55 n ASP 132 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3i55 n ARG 133 N -0.41 1.06 0.00 -0.67 1.74 -1.26 -4.61 116.66 112.51 3i55 n ARG 133 Ca -0.05 -0.74 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 3i55 n ARG 133 Cb 0.45 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3i55 n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i55 n ASN 134 N -0.32 0.00 -4.77 0.55 3.02 -1.26 -5.02 115.26 107.46 3i55 n ASN 134 Ca 0.12 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.37 3i55 n ASN 134 Cb 0.40 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.51 3i55 n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i55 s VAL 135 N -0.95 4.48 -0.50 2.41 0.11 -1.26 -3.94 120.40 120.75 3i55 s VAL 135 Ca 0.00 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 3i55 s VAL 135 Cb 0.00 -3.19 0.15 0.00 -1.53 0.00 0.00 36.38 31.82 3i55 s VAL 135 CO 0.00 0.07 0.34 0.00 -3.33 0.00 0.00 175.10 172.18 3i55 s ALA 136 N -1.47 2.35 0.15 1.54 0.00 0.15 -2.32 121.76 122.17 3i55 s ALA 136 Ca 0.29 -2.87 -0.34 0.00 0.00 0.00 0.00 51.96 49.04 3i55 s ALA 136 Cb -0.12 -1.87 -0.14 0.00 0.00 0.00 0.00 23.12 20.99 3i55 s ALA 136 CO 0.22 -2.05 1.53 0.28 0.00 0.00 0.00 175.76 175.75 3i55 n VAL 137 N 2.93 0.05 -4.56 0.00 0.31 -0.98 -2.64 118.33 113.43 3i55 n VAL 137 Ca 0.18 -0.01 -0.23 0.00 -0.01 0.00 0.00 64.34 64.27 3i55 n VAL 137 Cb 0.39 -1.43 -0.16 0.00 -0.91 0.00 0.00 33.84 31.73 3i55 n VAL 137 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i55 s VAL 138 N 0.80 1.05 -0.31 2.52 1.01 0.23 -1.45 120.40 124.25 3i55 s VAL 138 Ca 0.79 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 3i55 s VAL 138 Cb -0.72 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3i55 s VAL 138 CO 0.40 0.32 0.42 -0.75 0.00 0.00 0.00 175.10 175.49 3i55 s LYS 139 N 0.32 3.81 0.53 2.72 2.20 0.40 0.70 119.74 130.42 3i55 s LYS 139 Ca -0.07 -0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.34 3i55 s LYS 139 Cb -0.12 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.43 3i55 s LYS 139 CO 0.02 -0.44 0.90 -0.51 -0.36 0.00 0.00 175.35 174.96 3i55 s LEU 140 N 2.16 3.49 0.63 5.43 1.43 -0.14 -0.99 118.68 130.69 3i55 s LEU 140 Ca 0.16 1.22 0.23 0.00 -1.03 0.00 0.00 54.13 54.70 3i55 s LEU 140 Cb -0.16 -4.20 1.11 0.00 0.03 0.00 0.00 46.19 42.97 3i55 s LEU 140 CO 0.11 -0.68 1.60 1.55 0.23 0.00 0.00 176.35 179.17 3i55 h PRO 141 N 0.20 0.00 -0.00 1.29 0.13 -1.91 1.45 132.00 133.17 3i55 h PRO 141 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3i55 h PRO 141 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3i55 h PRO 141 CO 0.62 0.00 -0.07 -1.13 -0.23 0.00 0.00 178.00 177.19 3i55 n SER 142 N -3.11 0.13 0.00 1.44 3.41 -1.26 -4.89 113.62 109.34 3i55 n SER 142 Ca 0.06 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3i55 n SER 142 Cb 0.81 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3i55 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i55 n GLY 143 N 1.39 0.62 3.90 5.00 0.00 0.50 -5.07 105.19 111.54 3i55 n GLY 143 Ca 0.10 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3i55 n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i55 s GLU 144 N -1.14 3.61 -0.67 1.61 2.12 -1.21 -4.83 118.70 118.19 3i55 s GLU 144 Ca 0.00 -0.10 -0.20 0.00 0.36 0.00 0.00 54.97 55.04 3i55 s GLU 144 Cb 0.00 -2.88 0.10 0.00 0.26 0.00 0.00 34.13 31.61 3i55 s GLU 144 CO 0.00 0.49 0.85 -1.64 -0.54 0.00 0.00 175.26 174.42 3i55 s MET 145 N -2.56 3.17 -0.45 4.30 -1.94 -1.26 -0.97 119.30 119.59 3i55 s MET 145 Ca 0.39 -1.29 -0.17 0.00 -1.71 0.00 0.00 55.69 52.91 3i55 s MET 145 Cb -0.12 -4.36 0.04 0.00 2.01 0.00 0.00 34.83 32.41 3i55 s MET 145 CO 0.24 -1.65 0.43 0.21 -0.01 0.00 0.00 175.02 174.24 3i55 s LYS 146 N 2.97 3.03 0.00 2.03 2.47 0.22 -4.87 119.74 125.60 3i55 s LYS 146 Ca 0.18 -1.03 -0.30 0.00 -1.56 0.00 0.00 55.97 53.26 3i55 s LYS 146 Cb -0.19 -4.05 -0.05 0.00 -1.46 0.00 0.00 37.83 32.09 3i55 s LYS 146 CO 0.04 -0.95 1.32 1.03 0.16 0.00 0.00 175.35 176.95 3i55 s ARG 147 N 1.96 4.32 0.03 4.03 0.52 -1.26 -0.60 118.95 127.95 3i55 s ARG 147 Ca 0.08 1.87 0.04 0.00 -0.52 0.00 0.00 55.73 57.20 3i55 s ARG 147 Cb -0.20 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 3i55 s ARG 147 CO 0.10 -0.49 -0.13 -0.51 0.02 0.00 0.00 175.30 174.29 3i55 s LEU 148 N 2.08 2.15 -0.13 2.53 1.43 -1.08 -4.90 118.68 120.75 3i55 s LEU 148 Ca 0.61 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 3i55 s LEU 148 Cb -0.30 -0.57 -0.06 0.00 0.03 0.00 0.00 46.19 45.30 3i55 s LEU 148 CO 0.26 0.04 2.01 -0.62 0.23 0.00 0.00 176.35 178.26 3i55 s ASP 149 N -1.01 5.99 0.10 2.29 2.15 -1.26 0.34 116.67 125.27 3i55 s ASP 149 Ca 0.01 2.10 0.02 0.00 0.43 0.00 0.00 52.55 55.12 3i55 s ASP 149 Cb -0.07 -2.52 0.13 0.00 -0.30 0.00 0.00 42.92 40.15 3i55 s ASP 149 CO 0.01 -1.50 0.79 -0.81 -0.17 0.00 0.00 175.17 173.49 3i55 n PRO 150 N 8.11 0.02 0.03 4.34 -0.04 -1.25 0.26 135.00 146.47 3i55 n PRO 150 Ca 0.24 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 3i55 n PRO 150 Cb 0.44 -1.93 0.38 0.00 -0.04 0.00 0.00 33.50 32.35 3i55 n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i55 n GLN 151 N -1.40 0.11 -2.14 0.54 -0.06 -1.26 -1.89 117.38 111.27 3i55 n GLN 151 Ca -0.00 0.06 -0.42 0.00 -2.00 0.00 0.00 57.00 54.63 3i55 n GLN 151 Cb 0.38 -1.59 -0.03 0.00 -4.06 0.00 0.00 30.24 24.94 3i55 n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i55 s ARG 153 N 3.11 3.68 0.18 0.00 0.52 -1.26 -1.28 118.95 123.91 3i55 s ARG 153 Ca 0.67 1.14 -0.12 0.00 -0.52 0.00 0.00 55.73 56.90 3i55 s ARG 153 Cb -0.32 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.07 3i55 s ARG 153 CO 0.27 -0.50 0.39 0.00 0.02 0.00 0.00 175.30 175.47 3i55 s ALA 154 N -2.41 -0.35 0.12 2.13 0.00 -1.12 -2.11 121.76 118.02 3i55 s ALA 154 Ca 0.62 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.99 3i55 s ALA 154 Cb -0.13 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3i55 s ALA 154 CO 0.30 -0.73 0.00 0.99 0.00 0.00 0.00 175.76 176.33 3i55 s THR 155 N -3.94 3.91 -0.17 0.00 2.01 -0.60 -2.10 115.64 114.75 3i55 s THR 155 Ca 0.15 -1.15 -0.15 0.00 0.31 0.00 0.00 61.69 60.85 3i55 s THR 155 Cb 0.01 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 3i55 s THR 155 CO 0.00 0.03 0.34 -0.63 -0.69 0.00 0.00 174.62 173.67 3i55 s ILE 156 N -1.46 5.26 0.00 1.82 1.01 -0.99 -0.70 121.20 126.14 3i55 s ILE 156 Ca 0.26 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.54 3i55 s ILE 156 Cb -0.11 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3i55 s ILE 156 CO 0.18 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3i55 n GLY 157 N 3.58 2.34 3.84 6.18 0.00 0.16 -0.12 105.19 121.18 3i55 n GLY 157 Ca -0.10 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 3i55 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i55 s VAL 158 N -2.50 4.58 0.03 1.61 -7.23 -1.26 -3.40 120.40 112.24 3i55 s VAL 158 Ca 0.00 1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 60.98 3i55 s VAL 158 Cb 0.00 -3.64 -0.08 0.00 0.56 0.00 0.00 36.38 33.22 3i55 s VAL 158 CO 0.00 -0.36 1.73 -0.69 -0.31 0.00 0.00 175.10 175.47 3i55 s VAL 159 N -2.21 3.17 1.03 1.32 1.01 -0.74 0.33 120.40 124.30 3i55 s VAL 159 Ca 0.57 0.43 -0.15 0.00 0.00 0.00 0.00 61.98 62.82 3i55 s VAL 159 Cb -0.10 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.07 3i55 s VAL 159 CO 0.20 -0.02 0.19 0.00 0.00 0.00 0.00 175.10 175.48 3i55 n ALA 160 N 6.47 -3.37 -0.63 5.51 0.00 0.53 0.76 120.51 129.78 3i55 n ALA 160 Ca 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3i55 n ALA 160 Cb 0.41 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3i55 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 161 N 1.78 0.70 3.33 0.00 0.00 -1.26 -2.87 105.19 106.87 3i55 n GLY 161 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3i55 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 162 N -2.54 -2.50 3.27 -0.02 0.00 -1.25 -3.53 105.19 98.61 3i55 n GLY 162 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3i55 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 163 N 1.91 1.31 0.40 -0.02 0.00 -1.26 -4.86 105.19 102.67 3i55 n GLY 163 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.26 3i55 n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i55 h ARG 164 N 2.13 0.29 0.00 1.61 2.43 -1.91 0.56 114.38 119.48 3i55 h ARG 164 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i55 h ARG 164 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3i55 h ARG 164 CO 0.00 0.19 0.00 2.41 -1.51 0.00 0.00 179.97 181.06 3i55 n THR 165 N -4.45 0.84 0.90 0.20 -1.04 -1.26 -3.50 114.28 105.97 3i55 n THR 165 Ca 0.16 0.20 0.14 0.00 -2.04 0.00 0.00 64.05 62.51 3i55 n THR 165 Cb 0.66 -0.96 0.54 0.00 -1.82 0.00 0.00 70.33 68.75 3i55 n THR 165 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i55 n ASP 166 N -1.66 0.25 -4.38 8.00 8.00 0.19 -4.74 116.55 122.20 3i55 n ASP 166 Ca 0.04 0.48 -0.35 0.00 0.71 0.00 0.00 54.79 55.67 3i55 n ASP 166 Cb 0.21 -0.53 -0.13 0.00 -0.02 0.00 0.00 41.12 40.65 3i55 n ASP 166 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3i55 s LYS 167 N -3.03 3.50 0.37 -1.24 2.20 -1.23 -5.09 119.74 115.22 3i55 s LYS 167 Ca 0.13 -0.57 -0.27 0.00 -0.36 0.00 0.00 55.97 54.89 3i55 s LYS 167 Cb 0.17 -3.03 -0.10 0.00 -1.51 0.00 0.00 37.83 33.37 3i55 s LYS 167 CO 0.56 -0.07 1.31 -1.25 -0.36 0.00 0.00 175.35 175.53 3i55 s PRO 168 N 1.19 4.17 0.58 4.03 0.04 -1.26 -4.90 135.00 138.86 3i55 s PRO 168 Ca 0.03 2.19 0.28 0.00 0.04 0.00 0.00 61.00 63.54 3i55 s PRO 168 Cb -0.14 -2.92 1.58 0.00 0.04 0.00 0.00 34.50 33.06 3i55 s PRO 168 CO 0.00 -0.33 2.04 0.74 0.04 0.00 0.00 177.00 179.48 3i55 h PHE 169 N 3.04 0.00 0.00 0.56 -1.00 -1.97 -3.45 116.94 114.12 3i55 h PHE 169 Ca -0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.29 3i55 h PHE 169 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 3i55 h PHE 169 CO 0.55 0.00 0.00 0.28 -1.61 0.00 0.00 178.31 177.53 3i55 n VAL 170 N -3.82 0.00 -3.89 -0.55 0.31 -1.26 -4.74 118.33 104.38 3i55 n VAL 170 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 3i55 n VAL 170 Cb 0.43 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.27 3i55 n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3i55 s LYS 171 N 0.00 0.49 0.18 5.55 -2.85 -1.26 -5.05 119.74 116.80 3i55 s LYS 171 Ca 0.00 -0.48 -0.15 0.00 -1.00 0.00 0.00 55.97 54.34 3i55 s LYS 171 Cb 0.00 0.20 0.17 0.00 -2.06 0.00 0.00 37.83 36.14 3i55 s LYS 171 CO 0.00 -0.12 1.67 0.00 0.10 0.00 0.00 175.35 177.00 3i55 h ALA 172 N 4.19 0.40 -0.95 0.59 0.00 -2.00 -1.78 119.26 119.72 3i55 h ALA 172 Ca -0.31 0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.94 3i55 h ALA 172 Cb 1.19 0.30 -0.17 0.00 0.00 0.00 0.00 17.79 19.11 3i55 h ALA 172 CO 0.42 -0.41 -0.27 0.41 0.00 0.00 0.00 179.25 179.40 3i55 n GLY 173 N -1.33 -1.68 0.22 0.00 0.00 -1.26 0.74 105.19 101.88 3i55 n GLY 173 Ca 0.05 1.03 -0.08 0.00 0.00 0.00 0.00 46.02 47.02 3i55 n GLY 173 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i55 h ASN 174 N 0.00 0.63 -0.21 1.61 2.35 -1.62 -1.98 115.58 116.36 3i55 h ASN 174 Ca 0.43 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 56.09 3i55 h ASN 174 Cb 0.67 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 3i55 h ASN 174 CO -0.97 0.57 0.03 0.50 -1.65 0.00 0.00 177.43 175.91 3i55 h LYS 175 N 0.65 0.11 -0.55 0.81 3.11 0.52 -2.35 116.57 118.87 3i55 h LYS 175 Ca 0.17 -0.01 0.11 0.00 -2.81 0.00 0.00 60.65 58.11 3i55 h LYS 175 Cb 0.09 -0.02 -0.11 0.00 -1.00 0.00 0.00 32.23 31.19 3i55 h LYS 175 CO -0.02 0.07 -0.25 1.25 -2.81 0.00 0.00 179.45 177.69 3i55 h HIS 176 N 0.11 -0.65 -0.78 1.91 2.76 0.55 -1.35 115.15 117.70 3i55 h HIS 176 Ca 0.10 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 3i55 h HIS 176 Cb 0.10 0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.40 3i55 h HIS 176 CO -0.16 -0.33 0.43 0.45 -1.30 0.00 0.00 177.93 177.02 3i55 h HIS 177 N -0.12 1.07 0.41 5.26 3.86 -0.98 -0.53 115.15 124.12 3i55 h HIS 177 Ca 0.24 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 3i55 h HIS 177 Cb 0.51 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3i55 h HIS 177 CO -0.55 0.75 -0.20 -0.22 0.86 0.00 0.00 177.93 178.58 3i55 h LYS 178 N 1.08 -0.53 -0.79 2.45 3.64 -0.87 -2.97 116.57 118.57 3i55 h LYS 178 Ca 0.27 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.82 3i55 h LYS 178 Cb 0.04 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 3i55 h LYS 178 CO -0.04 -0.30 0.39 1.98 -2.27 0.00 0.00 179.45 179.20 3i55 h MET 179 N -0.64 0.57 0.00 1.90 4.05 -1.12 -0.71 114.93 118.98 3i55 h MET 179 Ca -0.06 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3i55 h MET 179 Cb 0.47 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 3i55 h MET 179 CO 0.09 0.38 0.13 1.17 0.23 0.00 0.00 176.91 178.91 3i55 n LYS 180 N -4.89 0.03 -2.39 0.39 4.81 -0.22 -1.03 118.16 114.86 3i55 n LYS 180 Ca 0.15 0.44 -0.24 0.00 -0.87 0.00 0.00 58.31 57.79 3i55 n LYS 180 Cb 0.38 -1.74 0.01 0.00 0.02 0.00 0.00 35.03 33.70 3i55 n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i55 n ALA 181 N -1.46 4.85 -3.37 3.14 0.00 -0.27 -4.87 120.51 118.53 3i55 n ALA 181 Ca -0.00 -4.05 -0.14 0.00 0.00 0.00 0.00 53.44 49.25 3i55 n ALA 181 Cb 0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 3i55 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i55 s ARG 182 N -3.53 1.13 -1.44 0.00 1.81 -0.20 -4.72 118.95 111.99 3i55 s ARG 182 Ca 0.46 -0.26 -0.12 0.00 -1.72 0.00 0.00 55.73 54.09 3i55 s ARG 182 Cb 0.40 0.52 -0.04 0.00 -0.45 0.00 0.00 34.95 35.38 3i55 s ARG 182 CO -0.11 -0.44 2.55 0.41 -0.68 0.00 0.00 175.30 177.03 3i55 n GLY 183 N 0.16 4.10 2.99 -3.53 0.00 -1.26 -4.64 105.19 103.00 3i55 n GLY 183 Ca -0.18 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 3i55 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i55 s THR 184 N 2.85 -0.02 0.35 2.61 2.01 -1.26 -4.81 115.64 117.37 3i55 s THR 184 Ca 0.58 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 3i55 s THR 184 Cb 0.16 -0.23 -0.10 0.00 0.01 0.00 0.00 72.50 72.34 3i55 s THR 184 CO -0.06 0.03 0.88 -0.75 -0.69 0.00 0.00 174.62 174.03 3i55 s LYS 185 N 0.54 4.30 -0.02 4.92 2.47 -1.26 -4.84 119.74 125.84 3i55 s LYS 185 Ca -0.04 1.07 -0.27 0.00 -1.56 0.00 0.00 55.97 55.16 3i55 s LYS 185 Cb -0.05 -2.50 0.06 0.00 -1.46 0.00 0.00 37.83 33.88 3i55 s LYS 185 CO -0.03 0.15 0.61 -0.46 0.16 0.00 0.00 175.35 175.78 3i55 s TRP 186 N -1.89 -0.56 0.00 4.03 -0.00 -1.26 -4.85 118.94 114.41 3i55 s TRP 186 Ca 0.55 0.88 0.00 0.00 -0.00 0.00 0.00 56.10 57.53 3i55 s TRP 186 Cb -0.13 0.37 0.00 0.00 -0.00 0.00 0.00 33.47 33.71 3i55 s TRP 186 CO 0.18 -0.60 0.00 -0.35 -0.00 0.00 0.00 176.95 176.18 3i55 n PRO 187 N 0.81 0.79 -3.96 5.86 -0.04 -1.26 -5.14 135.00 132.06 3i55 n PRO 187 Ca -0.19 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.92 3i55 n PRO 187 Cb 0.58 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.89 3i55 n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i55 s ASN 188 N -1.17 4.30 -0.15 3.54 0.01 -1.26 -5.09 114.94 115.12 3i55 s ASN 188 Ca 0.00 -0.86 -0.15 0.00 -0.71 0.00 0.00 52.86 51.14 3i55 s ASN 188 Cb 0.00 -1.66 -0.05 0.00 0.41 0.00 0.00 41.25 39.95 3i55 s ASN 188 CO 0.00 -0.12 0.33 -0.69 -1.51 0.00 0.00 177.10 175.10 3i55 s VAL 189 N 1.33 5.28 0.32 1.60 1.01 -1.26 -5.05 120.40 123.63 3i55 s VAL 189 Ca 0.00 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 3i55 s VAL 189 Cb -0.17 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 3i55 s VAL 189 CO -0.05 0.39 1.33 -0.13 0.00 0.00 0.00 175.10 176.64 3i55 s ARG 190 N 0.43 4.34 0.24 2.72 0.52 -1.26 -4.93 118.95 121.00 3i55 s ARG 190 Ca 0.18 2.23 -0.05 0.00 -0.52 0.00 0.00 55.73 57.58 3i55 s ARG 190 Cb -0.13 -3.07 0.38 0.00 0.52 0.00 0.00 34.95 32.64 3i55 s ARG 190 CO 0.05 -0.23 1.80 0.78 0.02 0.00 0.00 175.30 177.73 3i55 h GLY 191 N 3.61 1.22 2.00 -3.53 0.00 -1.96 -0.01 103.07 104.40 3i55 h GLY 191 Ca -0.49 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.55 3i55 h GLY 191 CO 0.67 0.12 0.00 -0.62 0.00 0.00 0.00 176.54 176.71 3i55 n VAL 192 N -4.77 1.03 0.79 4.60 0.31 -1.26 -1.54 118.33 117.49 3i55 n VAL 192 Ca 0.13 0.27 0.07 0.00 -0.01 0.00 0.00 64.34 64.80 3i55 n VAL 192 Cb 0.27 -1.08 0.22 0.00 -0.91 0.00 0.00 33.84 32.34 3i55 n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i55 n ALA 193 N -1.56 2.45 -2.32 3.52 0.00 -0.02 -4.66 120.51 117.93 3i55 n ALA 193 Ca 0.03 -0.69 -0.23 0.00 0.00 0.00 0.00 53.44 52.55 3i55 n ALA 193 Cb 0.17 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 3i55 n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3i55 s MET 194 N -1.52 2.39 0.40 0.00 -1.94 -0.59 -4.99 119.30 113.06 3i55 s MET 194 Ca 0.29 -1.72 -0.20 0.00 -1.71 0.00 0.00 55.69 52.34 3i55 s MET 194 Cb 0.15 -2.21 -0.11 0.00 2.01 0.00 0.00 34.83 34.68 3i55 s MET 194 CO 0.20 -0.26 0.91 -0.80 -0.01 0.00 0.00 175.02 175.07 3i55 s ASN 195 N -4.10 6.95 0.27 3.03 0.01 -1.26 -0.83 114.94 119.01 3i55 s ASN 195 Ca 0.43 1.63 -0.01 0.00 -0.71 0.00 0.00 52.86 54.21 3i55 s ASN 195 Cb -0.01 -2.52 0.61 0.00 0.41 0.00 0.00 41.25 39.75 3i55 s ASN 195 CO 0.25 -0.31 1.66 0.00 -1.51 0.00 0.00 177.10 177.19 3i55 h ALA 196 N 2.08 1.14 -0.00 0.60 0.00 -1.82 0.42 119.26 121.68 3i55 h ALA 196 Ca -0.49 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i55 h ALA 196 Cb 1.18 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3i55 h ALA 196 CO 0.62 -0.41 0.09 -0.24 0.00 0.00 0.00 179.25 179.31 3i55 h VAL 197 N 0.23 0.00 0.00 0.00 3.04 -1.92 -2.90 116.25 114.70 3i55 h VAL 197 Ca 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.19 3i55 h VAL 197 Cb 0.95 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3i55 h VAL 197 CO -0.61 0.00 -1.92 0.47 -1.01 0.00 0.00 177.57 174.50 3i55 n ASP 198 N -3.03 0.07 -3.64 3.17 8.00 0.15 -1.15 116.55 120.12 3i55 n ASP 198 Ca -0.03 -0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.36 3i55 n ASP 198 Cb 0.16 1.91 -0.07 0.00 -0.02 0.00 0.00 41.12 43.10 3i55 n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i55 s HIS 199 N -3.49 -0.50 0.46 1.24 2.46 -1.10 -4.49 115.29 109.88 3i55 s HIS 199 Ca -0.07 1.17 0.39 0.00 0.47 0.00 0.00 55.06 57.01 3i55 s HIS 199 Cb 0.14 0.37 1.49 0.00 -0.13 0.00 0.00 32.58 34.45 3i55 s HIS 199 CO 0.90 -0.24 1.43 -2.30 -2.47 0.00 0.00 174.74 172.07 3i55 n PRO 200 N 2.48 -0.02 -0.08 2.88 -0.02 -1.26 0.18 135.00 139.16 3i55 n PRO 200 Ca -0.13 1.07 0.12 0.00 -2.02 0.00 0.00 63.50 62.53 3i55 n PRO 200 Cb 0.56 -2.28 0.26 0.00 -0.02 0.00 0.00 33.50 32.02 3i55 n PRO 200 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i55 n PHE 201 N -4.12 0.22 -1.72 6.00 0.99 -1.26 -4.75 117.46 112.81 3i55 n PHE 201 Ca 0.39 -0.11 -0.29 0.00 -0.00 0.00 0.00 57.45 57.44 3i55 n PHE 201 Cb 1.66 0.00 0.09 0.00 -1.00 0.00 0.00 39.48 40.24 3i55 n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3i55 s GLY 202 N -1.73 1.60 0.00 1.37 0.00 0.48 -4.14 107.32 104.91 3i55 s GLY 202 Ca 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3i55 s GLY 202 CO 0.30 0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.03 3i55 n GLY 203 N -2.68 -0.88 1.16 0.20 0.00 -0.01 -3.92 105.19 99.05 3i55 n GLY 203 Ca 0.07 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.38 3i55 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 204 N 0.00 -2.96 1.31 -0.02 0.00 -1.26 -4.48 105.19 97.78 3i55 n GLY 204 Ca 0.00 -1.15 0.05 0.00 0.00 0.00 0.00 46.02 44.92 3i55 n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 205 N -3.91 2.29 3.63 -0.02 0.00 -1.26 -4.84 105.19 101.08 3i55 n GLY 205 Ca -0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 3i55 n GLY 205 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i55 s ARG 206 N -2.02 0.15 0.11 1.61 1.70 -1.26 -5.14 118.95 114.10 3i55 s ARG 206 Ca 0.33 0.01 -0.30 0.00 -0.47 0.00 0.00 55.73 55.30 3i55 s ARG 206 Cb 0.25 0.07 -0.06 0.00 -0.57 0.00 0.00 34.95 34.63 3i55 s ARG 206 CO 0.11 -0.05 1.19 -0.65 -1.08 0.00 0.00 175.30 174.82 3i55 s GLN 207 N -1.35 4.46 0.00 3.89 -0.21 -1.26 -4.95 119.66 120.23 3i55 s GLN 207 Ca 0.08 1.80 0.00 0.00 0.02 0.00 0.00 55.36 57.26 3i55 s GLN 207 Cb -0.01 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.69 3i55 s GLN 207 CO -0.06 -0.19 0.00 -2.39 -2.12 0.00 0.00 175.29 170.54 3i55 n HIS 208 N 3.42 0.00 -2.13 0.91 1.44 -1.26 -5.13 115.22 112.47 3i55 n HIS 208 Ca 0.07 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.40 3i55 n HIS 208 Cb 0.46 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.56 3i55 n HIS 208 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 3i55 s PRO 209 N -0.03 3.85 -0.33 -1.40 0.04 -1.26 -4.87 135.00 130.99 3i55 s PRO 209 Ca 0.00 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.08 3i55 s PRO 209 Cb 0.00 -2.60 0.53 0.00 0.04 0.00 0.00 34.50 32.47 3i55 s PRO 209 CO 0.00 -0.54 1.68 0.41 0.04 0.00 0.00 177.00 178.59 3i55 n GLY 210 N 0.62 3.79 3.43 0.56 0.00 -1.26 -4.89 105.19 107.43 3i55 n GLY 210 Ca 0.05 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 3i55 n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i55 s LYS 211 N -2.54 1.25 0.27 1.61 1.02 -1.26 -5.13 119.74 114.97 3i55 s LYS 211 Ca 0.44 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 3i55 s LYS 211 Cb 0.37 0.48 -0.09 0.00 -0.52 0.00 0.00 37.83 38.06 3i55 s LYS 211 CO 0.09 -0.51 1.14 -1.25 -0.92 0.00 0.00 175.35 173.90 3i55 s PRO 212 N -3.87 4.58 0.32 -1.68 0.04 -1.26 -4.92 135.00 128.21 3i55 s PRO 212 Ca 0.09 1.87 0.13 0.00 0.04 0.00 0.00 61.00 63.13 3i55 s PRO 212 Cb 0.01 -3.18 0.54 0.00 0.04 0.00 0.00 34.50 31.91 3i55 s PRO 212 CO -0.05 0.11 1.71 0.87 0.04 0.00 0.00 177.00 179.68 3i55 h LYS 213 N 3.97 0.00 -6.23 4.56 1.57 -1.95 -3.43 116.57 115.06 3i55 h LYS 213 Ca -0.47 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.77 3i55 h LYS 213 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 3i55 h LYS 213 CO 0.68 0.50 1.25 -1.12 -0.57 0.00 0.00 179.45 180.18 3i55 s SER 214 N -6.79 5.78 0.04 0.86 0.01 -1.26 -2.05 113.70 110.29 3i55 s SER 214 Ca -0.02 0.79 -0.06 0.00 1.31 0.00 0.00 55.95 57.98 3i55 s SER 214 Cb 0.13 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 3i55 s SER 214 CO 0.74 -1.89 0.28 -0.51 0.41 0.00 0.00 173.24 172.27 3i55 s ILE 215 N 7.29 5.29 0.34 1.44 1.10 0.04 -4.92 121.20 131.78 3i55 s ILE 215 Ca 0.70 0.08 -0.29 0.00 -0.51 0.00 0.00 60.65 60.63 3i55 s ILE 215 Cb -0.16 -3.58 -0.11 0.00 0.15 0.00 0.00 42.46 38.75 3i55 s ILE 215 CO 0.28 0.28 1.47 -0.55 -2.11 0.00 0.00 174.94 174.32 3i55 s SER 216 N -1.92 6.45 0.37 4.50 0.15 -1.26 -0.66 113.70 121.32 3i55 s SER 216 Ca 0.31 2.94 0.10 0.00 0.70 0.00 0.00 55.95 60.00 3i55 s SER 216 Cb -0.13 -2.66 0.85 0.00 -1.71 0.00 0.00 66.02 62.37 3i55 s SER 216 CO 0.19 -0.81 1.89 0.03 1.20 0.00 0.00 173.24 175.74 3i55 h ARG 217 N 3.54 0.63 0.00 5.44 2.47 -1.94 -0.45 114.38 124.06 3i55 h ARG 217 Ca -0.49 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 3i55 h ARG 217 Cb 1.23 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 3i55 h ARG 217 CO 0.68 0.42 0.00 0.09 0.56 0.00 0.00 179.97 181.72 3i55 n ASN 218 N -4.53 0.00 -4.47 7.04 3.02 -1.26 -4.87 115.26 110.19 3i55 n ASN 218 Ca 0.16 0.46 -0.41 0.00 -0.03 0.00 0.00 54.58 54.76 3i55 n ASN 218 Cb 0.44 -0.48 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 3i55 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i55 n ALA 219 N -1.48 -1.28 -2.35 5.41 0.00 -0.18 -4.97 120.51 115.66 3i55 n ALA 219 Ca 0.04 0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 3i55 n ALA 219 Cb 0.16 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 3i55 n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i55 s PRO 220 N -1.72 3.72 0.33 0.00 0.04 -1.26 -4.77 135.00 131.33 3i55 s PRO 220 Ca 0.64 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 3i55 s PRO 220 Cb -0.56 -2.53 -0.12 0.00 0.04 0.00 0.00 34.50 31.33 3i55 s PRO 220 CO 0.57 0.11 1.41 -0.35 0.04 0.00 0.00 177.00 178.79 3i55 n PRO 221 N -1.00 2.37 0.00 0.56 -0.04 -1.26 -0.60 135.00 135.03 3i55 n PRO 221 Ca 0.00 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 3i55 n PRO 221 Cb 0.54 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3i55 n PRO 221 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i55 n GLY 222 N 1.09 2.53 0.00 0.55 0.00 -1.26 -4.76 105.19 103.34 3i55 n GLY 222 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3i55 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i55 n ARG 223 N -0.63 0.17 -2.63 1.61 0.63 0.23 -4.75 116.66 111.30 3i55 n ARG 223 Ca 0.00 -0.04 -0.42 0.00 -0.92 0.00 0.00 57.85 56.47 3i55 n ARG 223 Cb 0.00 -1.12 -0.03 0.00 0.45 0.00 0.00 32.46 31.77 3i55 n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i55 s LYS 224 N -2.34 3.62 0.16 -0.14 2.20 -0.93 -4.92 119.74 117.39 3i55 s LYS 224 Ca -0.02 -1.29 -0.01 0.00 -0.36 0.00 0.00 55.97 54.30 3i55 s LYS 224 Cb 0.03 -5.29 -0.04 0.00 -1.51 0.00 0.00 37.83 31.02 3i55 s LYS 224 CO 0.20 -2.13 0.07 0.14 -0.36 0.00 0.00 175.35 173.27 3i55 s VAL 225 N 4.51 0.18 0.00 4.02 -7.23 -1.26 -5.01 120.40 115.60 3i55 s VAL 225 Ca 0.44 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3i55 s VAL 225 Cb -0.01 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3i55 s VAL 225 CO -0.09 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 3i55 n GLY 226 N -0.19 0.35 3.46 2.32 0.00 -1.26 -4.58 105.19 105.29 3i55 n GLY 226 Ca -0.03 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 3i55 n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i55 s ASP 227 N -4.00 6.24 -0.18 1.61 1.01 -0.87 -4.97 116.67 115.51 3i55 s ASP 227 Ca 0.00 -1.14 -0.29 0.00 0.71 0.00 0.00 52.55 51.83 3i55 s ASP 227 Cb 0.00 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 3i55 s ASP 227 CO 0.00 -1.40 1.64 -0.63 0.21 0.00 0.00 175.17 175.00 3i55 s ILE 228 N 3.91 3.65 -1.83 0.77 1.01 -1.26 -0.78 121.20 126.67 3i55 s ILE 228 Ca 0.24 0.75 -0.22 0.00 0.00 0.00 0.00 60.65 61.42 3i55 s ILE 228 Cb -0.15 -3.62 0.21 0.00 0.01 0.00 0.00 42.46 38.91 3i55 s ILE 228 CO 0.07 -0.22 0.63 0.00 0.00 0.00 0.00 174.94 175.42 3i55 n ALA 229 N 8.22 -1.26 -1.69 9.38 0.00 0.16 -4.80 120.51 130.53 3i55 n ALA 229 Ca 0.19 -0.16 -0.45 0.00 0.00 0.00 0.00 53.44 53.02 3i55 n ALA 229 Cb 0.45 -2.71 -0.04 0.00 0.00 0.00 0.00 19.45 17.15 3i55 n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i55 n SER 230 N -2.53 3.35 -0.01 0.00 3.41 -1.24 -4.82 113.62 111.78 3i55 n SER 230 Ca 0.09 1.09 0.15 0.00 -0.26 0.00 0.00 58.87 59.93 3i55 n SER 230 Cb 0.47 -1.48 0.71 0.00 -0.26 0.00 0.00 64.21 63.66 3i55 n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i55 n LYS 231 N 3.37 0.36 0.00 4.33 5.02 -1.26 -4.91 118.16 125.07 3i55 n LYS 231 Ca 0.16 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3i55 n LYS 231 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3i55 n LYS 231 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3i55 n ARG 232 N -1.30 -2.04 -2.63 1.97 1.85 -1.26 -5.19 116.66 108.05 3i55 n ARG 232 Ca 0.13 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.91 3i55 n ARG 232 Cb 0.26 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.66 3i55 n ARG 232 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3i55 n THR 233 N -0.52 0.00 -0.64 8.89 -2.24 -1.26 -5.14 114.28 113.37 3i55 n THR 233 Ca 0.00 -0.78 0.08 0.00 -2.27 0.00 0.00 64.05 61.08 3i55 n THR 233 Cb 0.00 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 3i55 n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i55 n GLY 234 N -0.23 -1.93 0.10 3.38 0.00 -1.26 -4.84 105.19 100.41 3i55 n GLY 234 Ca 0.01 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 3i55 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i55 n ARG 235 N -2.90 0.54 -0.97 1.61 1.74 -1.26 -5.04 116.66 110.39 3i55 n ARG 235 Ca -0.01 0.27 -0.18 0.00 -0.77 0.00 0.00 57.85 57.16 3i55 n ARG 235 Cb 0.30 -1.48 0.14 0.00 -1.02 0.00 0.00 32.46 30.39 3i55 n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i55 n GLY 236 N 1.41 -1.84 3.57 -0.13 0.00 -1.26 -5.28 105.19 101.66 3i55 n GLY 236 Ca -0.26 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3i55 n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93