#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p57 s VAL 17 N 0.00 5.24 -0.73 1.39 1.01 0.37 -4.09 120.40 123.60 1p57 s VAL 17 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1p57 s VAL 17 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1p57 s VAL 17 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1p57 n GLY 18 N 2.99 0.44 0.00 4.51 0.00 -1.25 -1.80 105.19 110.09 1p57 n GLY 18 Ca -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1p57 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p57 n GLY 19 N -1.45 2.90 3.17 -0.02 0.00 -1.26 -4.85 105.19 103.68 1p57 n GLY 19 Ca -0.09 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.71 1p57 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p57 s ARG 20 N -0.76 0.88 0.44 1.61 3.00 -0.63 -4.91 118.95 118.58 1p57 s ARG 20 Ca 0.00 -1.39 -0.24 0.00 0.00 0.00 0.00 55.73 54.11 1p57 s ARG 20 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 34.95 34.80 1p57 s ARG 20 CO 0.00 -0.11 1.20 -0.51 0.00 0.00 0.00 175.30 175.88 1p57 s ASP 21 N -3.06 6.24 0.48 0.23 1.11 -1.26 -1.40 116.67 119.01 1p57 s ASP 21 Ca 0.16 2.39 0.04 0.00 0.18 0.00 0.00 52.55 55.32 1p57 s ASP 21 Cb 0.06 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.42 1p57 s ASP 21 CO -0.02 -0.87 0.10 0.28 1.18 0.00 0.00 175.17 175.83 1p57 s THR 22 N -1.45 1.60 0.41 -1.27 -1.32 -0.72 -4.82 115.64 108.07 1p57 s THR 22 Ca 0.61 -1.86 0.07 0.00 -1.21 0.00 0.00 61.69 59.30 1p57 s THR 22 Cb -0.31 -2.46 -0.07 0.00 -1.51 0.00 0.00 72.50 68.15 1p57 s THR 22 CO 0.38 0.00 0.09 -0.94 -2.21 0.00 0.00 174.62 171.95 1p57 s SER 23 N -3.92 4.15 0.31 8.08 1.04 -1.26 -4.80 113.70 117.30 1p57 s SER 23 Ca 0.22 -1.22 -0.29 0.00 0.48 0.00 0.00 55.95 55.13 1p57 s SER 23 Cb 0.03 -0.44 -0.12 0.00 0.10 0.00 0.00 66.02 65.59 1p57 s SER 23 CO 0.12 -0.49 1.40 0.18 0.98 0.00 0.00 173.24 175.43 1p57 n LEU 24 N -1.10 3.74 0.00 2.42 4.77 -1.26 -2.94 117.00 122.64 1p57 n LEU 24 Ca -0.03 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1p57 n LEU 24 Cb 0.66 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1p57 n LEU 24 CO 0.47 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1p57 n GLY 25 N 1.34 2.10 0.18 -0.72 0.00 -1.26 -4.90 105.19 101.92 1p57 n GLY 25 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1p57 n GLY 25 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1p57 h ARG 26 N 2.49 0.61 -2.12 1.61 2.43 -1.86 -3.38 114.38 114.17 1p57 h ARG 26 Ca 0.00 -0.70 -0.58 0.00 -0.81 0.00 0.00 59.98 57.89 1p57 h ARG 26 Cb 0.00 0.21 -0.41 0.00 -0.42 0.00 0.00 29.97 29.35 1p57 h ARG 26 CO 0.00 1.29 -0.81 0.91 -1.51 0.00 0.00 179.97 179.85 1p57 n TRP 27 N -3.94 2.03 0.45 2.20 7.02 -1.26 -4.96 117.44 118.98 1p57 n TRP 27 Ca -0.12 -3.91 0.06 0.00 -1.02 0.00 0.00 57.50 52.51 1p57 n TRP 27 Cb 0.86 -0.47 0.27 0.00 -2.42 0.00 0.00 31.31 29.54 1p57 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1p57 n PRO 28 N 0.99 0.04 0.06 -0.99 -0.04 -1.26 -2.24 135.00 131.55 1p57 n PRO 28 Ca 0.26 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 1p57 n PRO 28 Cb 0.46 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.61 1p57 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1p57 n TRP 29 N -1.46 0.54 -2.18 0.54 2.14 -1.09 -2.13 117.44 113.79 1p57 n TRP 29 Ca 0.03 0.16 -0.42 0.00 2.07 0.00 0.00 57.50 59.34 1p57 n TRP 29 Cb 0.13 -0.65 -0.03 0.00 -0.81 0.00 0.00 31.31 29.95 1p57 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1p57 s GLN 30 N -3.15 4.32 0.22 -2.67 2.00 -0.95 -1.17 119.66 118.26 1p57 s GLN 30 Ca 0.07 2.06 0.04 0.00 -2.00 0.00 0.00 55.36 55.52 1p57 s GLN 30 Cb 0.14 -3.29 -0.05 0.00 0.80 0.00 0.00 33.01 30.60 1p57 s GLN 30 CO 0.71 -0.45 -0.02 0.14 -0.50 0.00 0.00 175.29 175.17 1p57 s VAL 31 N 1.26 1.07 -0.10 1.34 -7.23 -0.73 -4.57 120.40 111.43 1p57 s VAL 31 Ca 0.64 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1p57 s VAL 31 Cb -0.36 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1p57 s VAL 31 CO 0.30 -0.40 -0.19 -0.55 -0.31 0.00 0.00 175.10 173.95 1p57 s SER 32 N -3.28 3.52 -0.28 4.85 0.15 -0.32 -2.29 113.70 116.06 1p57 s SER 32 Ca 0.26 -0.43 -0.08 0.00 0.70 0.00 0.00 55.95 56.40 1p57 s SER 32 Cb 0.05 -1.33 -0.02 0.00 -1.71 0.00 0.00 66.02 63.01 1p57 s SER 32 CO 0.07 0.19 0.10 -0.76 1.20 0.00 0.00 173.24 174.05 1p57 s LEU 33 N 0.15 3.74 -0.03 3.45 1.43 0.26 -0.72 118.68 126.95 1p57 s LEU 33 Ca -0.10 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 1p57 s LEU 33 Cb -0.16 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1p57 s LEU 33 CO 0.06 -0.11 -0.15 -0.13 0.23 0.00 0.00 176.35 176.25 1p57 s ARG 34 N 1.60 2.44 -0.10 1.70 0.52 -0.50 -1.36 118.95 123.25 1p57 s ARG 34 Ca 0.05 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 54.56 1p57 s ARG 34 Cb -0.16 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 32.96 1p57 s ARG 34 CO 0.04 0.61 -0.23 -0.47 0.02 0.00 0.00 175.30 175.28 1p57 s TYR 35 N -0.77 2.47 -1.71 -0.53 5.04 -0.10 -1.40 117.35 120.35 1p57 s TYR 35 Ca 0.12 -1.04 -0.14 0.00 -2.44 0.00 0.00 57.07 53.57 1p57 s TYR 35 Cb -0.11 -1.67 0.14 0.00 0.35 0.00 0.00 41.96 40.68 1p57 s TYR 35 CO 0.01 -0.43 0.49 -0.25 -1.34 0.00 0.00 175.55 174.03 1p57 n ASP 37 N 3.62 -1.39 0.00 4.32 8.00 -0.23 -1.13 116.55 129.74 1p57 n ASP 37 Ca -0.19 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.14 1p57 n ASP 37 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 41.12 39.57 1p57 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p57 n GLY 38 N -1.61 2.40 3.68 0.44 0.00 -1.26 -5.05 105.19 103.79 1p57 n GLY 38 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1p57 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p57 s ALA 39 N -2.25 3.28 -0.16 4.61 0.00 -0.28 -5.05 121.76 121.91 1p57 s ALA 39 Ca 0.00 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1p57 s ALA 39 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 1p57 s ALA 39 CO 0.00 0.68 1.14 -1.58 0.00 0.00 0.00 175.76 176.00 1p57 s HIS 40 N -1.22 3.18 -0.08 0.00 2.46 -1.26 -0.92 115.29 117.45 1p57 s HIS 40 Ca 0.23 1.29 -0.00 0.00 0.47 0.00 0.00 55.06 57.05 1p57 s HIS 40 Cb -0.12 -3.36 -0.05 0.00 -0.13 0.00 0.00 32.58 28.93 1p57 s HIS 40 CO 0.15 -0.98 -0.08 1.28 -2.47 0.00 0.00 174.74 172.64 1p57 n LEU 41 N 5.98 2.46 -4.14 8.88 4.77 -0.46 -4.96 117.00 129.52 1p57 n LEU 41 Ca 0.12 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1p57 n LEU 41 Cb 0.46 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1p57 n LEU 41 CO 0.54 0.53 -0.29 0.00 -1.33 0.00 0.00 177.39 176.84 1p57 s GLY 43 N -3.05 1.91 0.12 0.00 0.00 0.14 -0.58 107.32 105.87 1p57 s GLY 43 Ca 0.24 -1.85 -0.25 0.00 0.00 0.00 0.00 44.72 42.86 1p57 s GLY 43 CO 0.02 -1.61 0.87 -0.32 0.00 0.00 0.00 173.10 172.06 1p57 s GLY 44 N -4.44 -0.32 -0.05 0.20 0.00 -0.97 -3.33 107.32 98.40 1p57 s GLY 44 Ca 0.56 0.36 0.03 0.00 0.00 0.00 0.00 44.72 45.67 1p57 s GLY 44 CO 0.34 0.10 -0.15 -0.56 0.00 0.00 0.00 173.10 172.84 1p57 s SER 45 N -2.79 1.93 0.08 1.64 0.01 -0.36 -1.77 113.70 112.44 1p57 s SER 45 Ca 0.09 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 1p57 s SER 45 Cb -0.02 -0.68 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 1p57 s SER 45 CO -0.02 0.10 1.06 -0.76 0.41 0.00 0.00 173.24 174.03 1p57 s LEU 46 N 0.29 4.43 -0.11 2.44 1.43 -0.31 -0.46 118.68 126.38 1p57 s LEU 46 Ca -0.08 1.88 0.17 0.00 -1.03 0.00 0.00 54.13 55.06 1p57 s LEU 46 Cb -0.13 -3.58 -0.24 0.00 0.03 0.00 0.00 46.19 42.27 1p57 s LEU 46 CO 0.03 -0.26 0.19 0.18 0.23 0.00 0.00 176.35 176.72 1p57 n LEU 47 N 3.32 0.00 0.00 1.79 4.77 -0.05 -1.70 117.00 125.12 1p57 n LEU 47 Ca 0.05 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.99 1p57 n LEU 47 Cb 0.48 0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.84 1p57 n LEU 47 CO 0.53 0.26 0.24 -1.54 -1.33 0.00 0.00 177.39 175.55 1p57 n SER 48 N -2.44 -1.06 0.28 -1.43 3.41 -1.15 -4.69 113.62 106.55 1p57 n SER 48 Ca -0.18 -1.77 0.18 0.00 -0.26 0.00 0.00 58.87 56.84 1p57 n SER 48 Cb 0.83 1.78 0.78 0.00 -0.26 0.00 0.00 64.21 67.34 1p57 n SER 48 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1p57 h GLY 49 N 0.94 0.00 -0.01 5.00 0.00 -1.96 -3.27 103.07 103.78 1p57 h GLY 49 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1p57 h GLY 49 CO 0.20 0.00 -0.00 2.09 0.00 0.00 0.00 176.54 178.83 1p57 n ASP 50 N -3.04 1.36 -4.04 0.19 3.85 -1.26 -0.13 116.55 113.48 1p57 n ASP 50 Ca -0.00 -1.70 -0.23 0.00 -0.71 0.00 0.00 54.79 52.16 1p57 n ASP 50 Cb 0.25 -0.01 -0.16 0.00 -1.35 0.00 0.00 41.12 39.86 1p57 n ASP 50 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 1p57 s TRP 51 N -0.70 1.27 -0.02 2.11 0.52 -1.23 -1.29 118.94 119.59 1p57 s TRP 51 Ca 0.00 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 55.82 1p57 s TRP 51 Cb 0.00 -0.90 -0.01 0.00 -1.15 0.00 0.00 33.47 31.41 1p57 s TRP 51 CO 0.00 -0.16 -0.21 0.08 0.02 0.00 0.00 176.95 176.68 1p57 s VAL 52 N 0.28 1.65 -0.16 4.03 1.01 -0.09 -0.87 120.40 126.24 1p57 s VAL 52 Ca -0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1p57 s VAL 52 Cb -0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1p57 s VAL 52 CO 0.02 0.47 0.01 -0.22 0.00 0.00 0.00 175.10 175.37 1p57 s LEU 53 N -0.38 3.52 0.00 3.92 2.96 0.39 -0.31 118.68 128.78 1p57 s LEU 53 Ca 0.05 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1p57 s LEU 53 Cb -0.09 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.73 1p57 s LEU 53 CO 0.00 0.18 0.00 1.07 -1.32 0.00 0.00 176.35 176.29 1p57 n THR 54 N 3.44 0.00 -4.02 3.68 5.66 -0.32 -1.22 114.28 121.50 1p57 n THR 54 Ca -0.17 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.47 1p57 n THR 54 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 1p57 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p57 s ALA 55 N -1.65 3.72 0.35 1.79 0.00 -1.26 -1.13 121.76 123.59 1p57 s ALA 55 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1p57 s ALA 55 Cb 0.00 -1.80 0.65 0.00 0.00 0.00 0.00 23.12 21.96 1p57 s ALA 55 CO 0.00 0.64 1.99 0.00 0.00 0.00 0.00 175.76 178.38 1p57 h ALA 56 N 4.78 1.52 0.00 0.00 0.00 -1.71 -2.44 119.26 121.42 1p57 h ALA 56 Ca -0.53 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1p57 h ALA 56 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1p57 h ALA 56 CO 0.59 0.41 0.00 -2.39 0.00 0.00 0.00 179.25 177.86 1p57 n HIS 57 N -4.41 0.00 1.44 0.00 1.44 -1.26 -1.50 115.22 110.92 1p57 n HIS 57 Ca 0.05 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.90 1p57 n HIS 57 Cb 0.09 -0.07 0.64 0.00 0.12 0.00 0.00 29.99 30.77 1p57 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1p57 n PHE 59 N -0.98 3.64 -1.29 0.00 3.01 -0.56 -4.96 117.46 116.31 1p57 n PHE 59 Ca 0.15 -4.04 -0.30 0.00 1.01 0.00 0.00 57.45 54.27 1p57 n PHE 59 Cb 0.27 -0.51 0.12 0.00 -0.01 0.00 0.00 39.48 39.35 1p57 n PHE 59 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1p57 s PRO 60 N -3.00 1.56 0.31 -1.08 0.04 -1.26 -4.85 135.00 126.72 1p57 s PRO 60 Ca 0.45 0.81 0.08 0.00 0.04 0.00 0.00 61.00 62.38 1p57 s PRO 60 Cb 0.23 -1.84 0.88 0.00 0.04 0.00 0.00 34.50 33.81 1p57 s PRO 60 CO -0.09 -2.03 1.66 0.93 0.04 0.00 0.00 177.00 177.51 1p57 h GLU 61 N -1.39 0.28 0.00 4.56 5.08 -1.98 0.18 114.58 121.31 1p57 h GLU 61 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1p57 h GLU 61 Cb 1.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1p57 h GLU 61 CO 0.55 0.18 0.00 0.54 -1.00 0.00 0.00 179.01 179.29 1p57 n ARG 62 N -5.13 0.16 -2.53 2.33 1.74 -1.26 -3.40 116.66 108.57 1p57 n ARG 62 Ca 0.26 0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 57.33 1p57 n ARG 62 Cb 0.81 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.77 1p57 n ARG 62 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1p57 n ASN 63 N -1.32 3.34 -0.78 0.55 4.13 0.64 -4.86 115.26 116.96 1p57 n ASN 63 Ca 0.06 -3.25 0.04 0.00 1.68 0.00 0.00 54.58 53.11 1p57 n ASN 63 Cb 0.12 -0.48 0.21 0.00 -1.54 0.00 0.00 39.78 38.09 1p57 n ASN 63 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1p57 n ARG 64 N -0.35 1.99 -3.53 3.52 1.74 -1.22 -4.65 116.66 114.15 1p57 n ARG 64 Ca 0.26 -2.98 -0.42 0.00 -0.77 0.00 0.00 57.85 53.94 1p57 n ARG 64 Cb 0.75 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 1p57 n ARG 64 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p57 s VAL 65 N -3.06 4.67 0.33 1.55 1.01 -1.26 -4.92 120.40 118.72 1p57 s VAL 65 Ca 0.40 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1p57 s VAL 65 Cb 0.36 -3.75 0.31 0.00 0.00 0.00 0.00 36.38 33.30 1p57 s VAL 65 CO 0.02 -0.43 1.84 -0.07 0.00 0.00 0.00 175.10 176.46 1p57 h LEU 65 N 8.52 0.74 -1.93 3.92 3.38 -1.92 -0.08 115.31 127.95 1p57 h LEU 65 Ca -0.25 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1p57 h LEU 65 Cb 1.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1p57 h LEU 65 CO 0.76 0.35 0.00 0.77 0.09 0.00 0.00 178.44 180.41 1p57 h SER 65 N 0.77 0.00 -0.13 -0.43 4.64 -1.91 -1.32 113.55 115.17 1p57 h SER 65 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1p57 h SER 65 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1p57 h SER 65 CO -0.25 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.25 1p57 n ARG 65 N -2.56 1.95 -4.06 4.77 1.74 -0.04 -4.89 116.66 113.56 1p57 n ARG 65 Ca -0.02 -1.40 -0.30 0.00 -0.77 0.00 0.00 57.85 55.36 1p57 n ARG 65 Cb 0.07 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 29.99 1p57 n ARG 65 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1p57 s TRP 65 N -1.85 3.17 0.02 -1.55 0.52 -0.50 -1.07 118.94 117.68 1p57 s TRP 65 Ca 0.34 0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.54 1p57 s TRP 65 Cb 0.20 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.89 1p57 s TRP 65 CO 0.30 0.52 -0.04 1.03 0.02 0.00 0.00 176.95 178.78 1p57 s ARG 65 N -2.37 0.34 -0.15 4.98 1.81 -0.50 -4.26 118.95 118.80 1p57 s ARG 65 Ca 0.29 -0.57 -0.01 0.00 -1.72 0.00 0.00 55.73 53.72 1p57 s ARG 65 Cb -0.12 -0.02 -0.01 0.00 -0.45 0.00 0.00 34.95 34.35 1p57 s ARG 65 CO 0.21 -0.01 -0.12 0.08 -0.68 0.00 0.00 175.30 174.78 1p57 s VAL 66 N -1.25 2.97 -0.18 3.52 1.01 -0.14 -1.42 120.40 124.92 1p57 s VAL 66 Ca -0.12 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1p57 s VAL 66 Cb -0.09 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1p57 s VAL 66 CO -0.01 0.51 -0.05 0.12 0.00 0.00 0.00 175.10 175.67 1p57 s PHE 67 N 0.68 2.96 0.10 5.22 5.36 0.10 -1.20 117.98 131.20 1p57 s PHE 67 Ca -0.06 -0.62 -0.01 0.00 -0.96 0.00 0.00 56.93 55.28 1p57 s PHE 67 Cb -0.15 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.48 1p57 s PHE 67 CO 0.02 -0.29 0.01 0.00 -1.46 0.00 0.00 175.22 173.51 1p57 s ALA 68 N 0.86 0.79 -0.06 11.12 0.00 0.25 -1.17 121.76 133.55 1p57 s ALA 68 Ca -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1p57 s ALA 68 Cb -0.15 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1p57 s ALA 68 CO 0.01 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1p57 n GLY 69 N -0.03 0.47 3.19 0.00 0.00 -1.26 -0.58 105.19 106.98 1p57 n GLY 69 Ca -0.09 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 1p57 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p57 s ALA 70 N -2.00 -0.35 -0.29 4.61 0.00 -1.26 -4.69 121.76 117.78 1p57 s ALA 70 Ca 0.00 -0.36 0.16 0.00 0.00 0.00 0.00 51.96 51.76 1p57 s ALA 70 Cb 0.00 0.35 -0.22 0.00 0.00 0.00 0.00 23.12 23.25 1p57 s ALA 70 CO 0.00 -0.41 0.48 1.33 0.00 0.00 0.00 175.76 177.15 1p57 n VAL 71 N 0.44 0.00 -3.60 0.00 0.24 -1.26 -4.90 118.33 109.26 1p57 n VAL 71 Ca -0.18 -0.28 -0.37 0.00 -2.04 0.00 0.00 64.34 61.48 1p57 n VAL 71 Cb 0.60 0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 33.34 1p57 n VAL 71 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p57 s ALA 72 N -2.89 3.61 0.52 2.33 0.00 -1.26 -0.22 121.76 123.84 1p57 s ALA 72 Ca -0.01 -0.76 0.21 0.00 0.00 0.00 0.00 51.96 51.40 1p57 s ALA 72 Cb 0.11 -2.38 1.31 0.00 0.00 0.00 0.00 23.12 22.16 1p57 s ALA 72 CO 0.67 -0.16 2.04 1.96 0.00 0.00 0.00 175.76 180.27 1p57 h GLN 73 N 7.33 0.05 -0.97 0.00 4.20 -1.61 -1.79 115.11 122.32 1p57 h GLN 73 Ca -0.38 -0.00 -0.62 0.00 0.06 0.00 0.00 58.65 57.70 1p57 h GLN 73 Cb 1.17 -0.01 -0.30 0.00 0.30 0.00 0.00 27.48 28.64 1p57 h GLN 73 CO 0.69 0.03 0.72 0.00 -0.67 0.00 0.00 178.83 179.60 1p57 n ALA 74 N -2.60 6.06 -2.62 3.87 0.00 -1.26 -4.94 120.51 119.02 1p57 n ALA 74 Ca 0.06 -3.35 -0.39 0.00 0.00 0.00 0.00 53.44 49.76 1p57 n ALA 74 Cb 0.43 -1.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 1p57 n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1p57 s SER 75 N -1.82 6.97 0.17 0.00 0.15 -0.67 -4.91 113.70 113.59 1p57 s SER 75 Ca 0.62 1.16 0.24 0.00 0.70 0.00 0.00 55.95 58.67 1p57 s SER 75 Cb 0.50 -2.39 0.91 0.00 -1.71 0.00 0.00 66.02 63.33 1p57 s SER 75 CO 0.02 -0.02 1.74 -0.81 1.20 0.00 0.00 173.24 175.37 1p57 n PRO 76 N 3.36 0.16 -0.27 5.44 -0.04 -1.26 -3.62 135.00 138.77 1p57 n PRO 76 Ca -0.04 0.25 0.07 0.00 -0.04 0.00 0.00 63.50 63.75 1p57 n PRO 76 Cb 0.51 -1.74 0.21 0.00 -0.04 0.00 0.00 33.50 32.44 1p57 n PRO 76 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1p57 n HIS 77 N -2.03 0.70 -2.72 0.54 8.25 -1.26 -4.90 115.22 113.79 1p57 n HIS 77 Ca 0.04 -0.32 -0.20 0.00 -0.26 0.00 0.00 57.72 56.98 1p57 n HIS 77 Cb 0.32 -0.05 0.04 0.00 1.12 0.00 0.00 29.99 31.41 1p57 n HIS 77 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1p57 s GLY 78 N -0.93 1.85 0.07 -1.41 0.00 -1.24 -4.77 107.32 100.89 1p57 s GLY 78 Ca 0.31 -1.45 0.06 0.00 0.00 0.00 0.00 44.72 43.63 1p57 s GLY 78 CO 0.19 -1.16 -0.09 1.08 0.00 0.00 0.00 173.10 173.12 1p57 s LEU 81 N -4.70 3.09 -0.14 0.66 1.43 0.26 -4.92 118.68 114.35 1p57 s LEU 81 Ca 0.58 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1p57 s LEU 81 Cb -0.10 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.31 1p57 s LEU 81 CO 0.38 0.21 -0.05 -1.10 0.23 0.00 0.00 176.35 176.02 1p57 s GLN 82 N -1.92 1.35 0.31 1.70 -0.21 -1.26 -0.58 119.66 119.04 1p57 s GLN 82 Ca 0.20 -0.37 0.10 0.00 0.02 0.00 0.00 55.36 55.31 1p57 s GLN 82 Cb -0.11 -1.78 -0.06 0.00 1.00 0.00 0.00 33.01 32.06 1p57 s GLN 82 CO 0.12 -0.38 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.27 1p57 s LEU 83 N 1.70 2.65 0.81 2.90 1.43 -0.34 -4.90 118.68 122.93 1p57 s LEU 83 Ca 0.02 -1.13 -0.07 0.00 -1.03 0.00 0.00 54.13 51.92 1p57 s LEU 83 Cb -0.14 -0.99 0.15 0.00 0.03 0.00 0.00 46.19 45.24 1p57 s LEU 83 CO -0.08 -0.12 1.13 -0.83 0.23 0.00 0.00 176.35 176.68 1p57 s GLY 84 N -3.54 1.76 -0.11 -3.19 0.00 -1.26 -0.97 107.32 100.02 1p57 s GLY 84 Ca 0.31 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.61 1p57 s GLY 84 CO 0.15 -0.80 -0.15 0.14 0.00 0.00 0.00 173.10 172.43 1p57 s VAL 85 N -3.45 2.87 -0.23 1.40 1.01 -1.26 -1.47 120.40 119.28 1p57 s VAL 85 Ca 0.69 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1p57 s VAL 85 Cb -0.05 -2.17 -0.18 0.00 0.00 0.00 0.00 36.38 33.97 1p57 s VAL 85 CO 0.48 0.54 -0.08 1.67 0.00 0.00 0.00 175.10 177.71 1p57 n GLN 86 N 3.25 0.66 -3.55 2.72 7.27 0.84 -4.68 117.38 123.90 1p57 n GLN 86 Ca -0.18 0.23 -0.11 0.00 0.07 0.00 0.00 57.00 57.01 1p57 n GLN 86 Cb 0.53 -1.58 -0.03 0.00 2.41 0.00 0.00 30.24 31.57 1p57 n GLN 86 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1p57 s ALA 87 N -2.52 -1.30 -0.03 1.69 0.00 -1.08 -1.16 121.76 117.35 1p57 s ALA 87 Ca -0.32 0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1p57 s ALA 87 Cb 0.09 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1p57 s ALA 87 CO 0.62 -0.76 -0.05 0.08 0.00 0.00 0.00 175.76 175.65 1p57 s VAL 88 N -3.80 0.51 -0.20 0.00 1.01 0.41 -0.76 120.40 117.57 1p57 s VAL 88 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1p57 s VAL 88 Cb -0.01 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.89 1p57 s VAL 88 CO -0.10 0.20 -0.16 -0.69 0.00 0.00 0.00 175.10 174.35 1p57 s VAL 89 N 0.65 2.25 0.31 2.92 1.01 -0.22 -0.06 120.40 127.27 1p57 s VAL 89 Ca -0.08 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 60.95 1p57 s VAL 89 Cb -0.12 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1p57 s VAL 89 CO 0.00 0.40 -0.03 -0.72 0.00 0.00 0.00 175.10 174.75 1p57 s TYR 90 N 1.27 2.55 -0.13 5.22 -0.85 -0.01 -0.78 117.35 124.62 1p57 s TYR 90 Ca 0.02 -0.35 -0.29 0.00 -0.52 0.00 0.00 57.07 55.92 1p57 s TYR 90 Cb -0.15 -1.32 -0.03 0.00 0.38 0.00 0.00 41.96 40.84 1p57 s TYR 90 CO -0.10 0.56 1.46 -1.58 -1.52 0.00 0.00 175.55 174.36 1p57 s HIS 91 N -2.46 2.42 0.53 -3.49 5.65 -0.99 -1.77 115.29 115.18 1p57 s HIS 91 Ca 0.33 0.63 0.18 0.00 0.25 0.00 0.00 55.06 56.44 1p57 s HIS 91 Cb -0.03 -3.73 1.32 0.00 -1.18 0.00 0.00 32.58 28.96 1p57 s HIS 91 CO 0.19 -2.70 2.14 0.78 -0.65 0.00 0.00 174.74 174.51 1p57 h GLY 92 N 10.15 0.00 -0.02 1.59 0.00 -1.29 -1.26 103.07 112.24 1p57 h GLY 92 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1p57 h GLY 92 CO 0.97 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.12 1p57 n GLY 93 N -1.53 -0.72 3.22 4.60 0.00 -1.26 -4.34 105.19 105.14 1p57 n GLY 93 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1p57 n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1p57 n TYR 94 N -0.49 4.13 -0.35 1.61 9.36 -0.48 -4.64 117.16 126.30 1p57 n TYR 94 Ca 0.00 -3.08 0.32 0.00 3.32 0.00 0.00 57.90 58.45 1p57 n TYR 94 Cb 0.00 -2.16 0.56 0.00 -0.63 0.00 0.00 39.34 37.10 1p57 n TYR 94 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1p57 n LEU 95 N 5.27 0.24 0.00 2.98 4.77 -1.26 -0.20 117.00 128.80 1p57 n LEU 95 Ca 0.40 1.31 0.00 0.00 -0.03 0.00 0.00 56.01 57.69 1p57 n LEU 95 Cb 0.40 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1p57 n LEU 95 CO 0.72 -1.45 0.42 -2.65 -1.33 0.00 0.00 177.39 173.11 1p57 n PRO 96 N -4.68 0.00 0.00 3.23 -0.02 -1.26 -5.11 135.00 127.16 1p57 n PRO 96 Ca 0.34 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1p57 n PRO 96 Cb 1.26 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 1p57 n PRO 96 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1p57 n PHE 97 N -1.26 0.00 1.30 6.00 0.99 0.72 -5.12 117.46 120.10 1p57 n PHE 97 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 1p57 n PHE 97 Cb 0.08 0.00 0.36 0.00 -1.00 0.00 0.00 39.48 38.92 1p57 n PHE 97 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1p57 n ASN 99 N -0.95 1.82 -4.80 4.37 4.13 -1.26 -5.11 115.26 113.45 1p57 n ASN 99 Ca 0.00 -1.52 -0.32 0.00 1.68 0.00 0.00 54.58 54.42 1p57 n ASN 99 Cb 0.00 0.06 0.05 0.00 -1.54 0.00 0.00 39.78 38.35 1p57 n ASN 99 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1p57 s SER 100 N -2.11 5.26 -1.10 6.41 0.01 -1.26 -3.60 113.70 117.31 1p57 s SER 100 Ca 0.32 1.73 -0.04 0.00 1.31 0.00 0.00 55.95 59.27 1p57 s SER 100 Cb 0.20 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1p57 s SER 100 CO 0.37 -1.52 0.52 0.59 0.41 0.00 0.00 173.24 173.61 1p57 n ASN 101 N -2.92 -4.92 -4.50 2.44 3.02 -1.26 -4.31 115.26 102.80 1p57 n ASN 101 Ca 0.08 -0.24 -0.44 0.00 -0.03 0.00 0.00 54.58 53.96 1p57 n ASN 101 Cb 0.53 -3.73 -0.00 0.00 -0.61 0.00 0.00 39.78 35.97 1p57 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p57 s ASP 102 N -2.87 6.98 -0.07 6.41 2.15 -1.24 -4.40 116.67 123.63 1p57 s ASP 102 Ca 0.26 -2.77 -0.17 0.00 0.43 0.00 0.00 52.55 50.30 1p57 s ASP 102 Cb -0.11 -2.47 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1p57 s ASP 102 CO 0.32 -0.91 0.39 -0.51 -0.17 0.00 0.00 175.17 174.29 1p57 s ILE 103 N 2.56 0.03 0.11 4.11 2.07 -1.26 -4.07 121.20 124.75 1p57 s ILE 103 Ca 0.46 -0.26 -0.18 0.00 -1.41 0.00 0.00 60.65 59.27 1p57 s ILE 103 Cb -0.00 -0.65 0.04 0.00 0.13 0.00 0.00 42.46 41.98 1p57 s ILE 103 CO 0.03 -0.14 0.44 0.00 -1.91 0.00 0.00 174.94 173.36 1p57 s ALA 104 N -0.79 -1.07 -0.02 1.50 0.00 -0.28 -2.35 121.76 118.75 1p57 s ALA 104 Ca -0.09 0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.09 1p57 s ALA 104 Cb -0.04 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1p57 s ALA 104 CO 0.04 -0.62 -0.25 -0.51 0.00 0.00 0.00 175.76 174.42 1p57 s LEU 105 N -2.60 2.11 -0.12 0.00 1.43 0.04 -1.17 118.68 118.37 1p57 s LEU 105 Ca 0.01 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1p57 s LEU 105 Cb 0.01 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.88 1p57 s LEU 105 CO -0.10 0.32 -0.21 -0.69 0.23 0.00 0.00 176.35 175.90 1p57 s VAL 106 N -0.64 1.93 -0.28 -1.59 1.01 0.57 -1.06 120.40 120.35 1p57 s VAL 106 Ca 0.10 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1p57 s VAL 106 Cb -0.10 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1p57 s VAL 106 CO -0.01 0.53 0.15 -2.28 0.00 0.00 0.00 175.10 173.49 1p57 s HIS 107 N 0.68 3.17 0.58 5.22 2.46 0.06 -0.92 115.29 126.54 1p57 s HIS 107 Ca -0.11 -0.21 -0.16 0.00 0.47 0.00 0.00 55.06 55.05 1p57 s HIS 107 Cb -0.16 -2.34 -0.04 0.00 -0.13 0.00 0.00 32.58 29.90 1p57 s HIS 107 CO 0.02 -0.29 1.05 -0.51 -2.47 0.00 0.00 174.74 172.54 1p57 s LEU 108 N 1.68 3.53 0.44 8.88 1.43 -0.41 -0.11 118.68 134.12 1p57 s LEU 108 Ca 0.06 1.82 0.21 0.00 -1.03 0.00 0.00 54.13 55.18 1p57 s LEU 108 Cb -0.16 -4.53 1.00 0.00 0.03 0.00 0.00 46.19 42.53 1p57 s LEU 108 CO 0.08 -1.11 1.90 0.77 0.23 0.00 0.00 176.35 178.22 1p57 h SER 109 N 0.55 0.00 -5.06 2.29 4.64 -1.53 -3.40 113.55 111.05 1p57 h SER 109 Ca -0.47 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.75 1p57 h SER 109 Cb 1.22 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.14 1p57 h SER 109 CO 0.58 0.26 -0.31 -0.94 -0.87 0.00 0.00 176.83 175.55 1p57 s SER 110 N -6.47 -0.06 0.45 4.97 1.04 -1.26 -4.98 113.70 107.39 1p57 s SER 110 Ca -0.02 -0.25 -0.17 0.00 0.48 0.00 0.00 55.95 56.00 1p57 s SER 110 Cb 0.13 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 66.48 1p57 s SER 110 CO 0.66 -0.58 0.92 -2.16 0.98 0.00 0.00 173.24 173.05 1p57 s PRO 111 N -2.46 4.03 0.34 4.02 0.04 -1.26 -4.81 135.00 134.90 1p57 s PRO 111 Ca -0.06 0.91 -0.19 0.00 0.04 0.00 0.00 61.00 61.71 1p57 s PRO 111 Cb -0.01 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1p57 s PRO 111 CO -0.03 -0.11 0.83 -0.51 0.04 0.00 0.00 177.00 177.22 1p57 s LEU 112 N -3.61 4.10 0.52 -3.56 1.43 0.82 -4.95 118.68 113.43 1p57 s LEU 112 Ca 0.58 1.51 -0.20 0.00 -1.03 0.00 0.00 54.13 54.99 1p57 s LEU 112 Cb -0.10 -4.14 -0.06 0.00 0.03 0.00 0.00 46.19 41.92 1p57 s LEU 112 CO 0.23 -0.20 1.13 -2.16 0.23 0.00 0.00 176.35 175.59 1p57 s PRO 113 N -2.76 3.48 -0.23 1.29 0.04 -1.26 -4.62 135.00 130.93 1p57 s PRO 113 Ca 0.54 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 63.13 1p57 s PRO 113 Cb -0.12 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1p57 s PRO 113 CO 0.17 -0.75 0.12 -0.51 0.04 0.00 0.00 177.00 176.07 1p57 s LEU 114 N -3.58 3.91 0.00 -3.56 1.43 -1.26 -4.78 118.68 110.84 1p57 s LEU 114 Ca 0.70 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1p57 s LEU 114 Cb -0.25 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 1p57 s LEU 114 CO 0.29 0.07 0.02 0.35 0.23 0.00 0.00 176.35 177.30 1p57 n THR 115 N 4.28 0.00 0.56 5.49 -2.24 -0.34 -4.94 114.28 117.08 1p57 n THR 115 Ca -0.15 -0.23 0.07 0.00 -2.27 0.00 0.00 64.05 61.46 1p57 n THR 115 Cb 0.52 0.10 0.31 0.00 -2.10 0.00 0.00 70.33 69.16 1p57 n THR 115 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1p57 n GLU 116 N -0.08 0.10 0.00 -0.78 0.00 -1.26 -2.59 120.64 116.03 1p57 n GLU 116 Ca -0.00 0.21 0.03 0.00 0.00 0.00 0.00 57.16 57.40 1p57 n GLU 116 Cb 0.06 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.98 1p57 n GLU 116 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1p57 n TYR 117 N -1.39 0.00 -3.77 -1.84 4.01 -1.26 -4.50 117.16 108.41 1p57 n TYR 117 Ca 0.05 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.51 1p57 n TYR 117 Cb 0.13 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.00 1p57 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1p57 s ILE 118 N -1.40 0.72 0.00 -0.72 1.01 -1.07 -4.28 121.20 115.46 1p57 s ILE 118 Ca 0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1p57 s ILE 118 Cb 0.05 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1p57 s ILE 118 CO 0.22 -0.26 0.02 -1.10 0.00 0.00 0.00 174.94 173.82 1p57 s GLN 119 N 1.76 0.21 0.70 2.79 -1.52 -0.91 -1.19 119.66 121.50 1p57 s GLN 119 Ca -0.00 -0.30 -0.11 0.00 -1.95 0.00 0.00 55.36 53.00 1p57 s GLN 119 Cb -0.17 0.08 0.01 0.00 -0.22 0.00 0.00 33.01 32.71 1p57 s GLN 119 CO -0.10 -0.04 1.06 -1.25 -0.25 0.00 0.00 175.29 174.71 1p57 s PRO 120 N -0.81 2.93 0.25 2.91 0.04 -1.26 -2.69 135.00 136.37 1p57 s PRO 120 Ca -0.09 0.81 0.07 0.00 0.04 0.00 0.00 61.00 61.84 1p57 s PRO 120 Cb -0.05 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1p57 s PRO 120 CO -0.00 -1.07 0.19 0.54 0.04 0.00 0.00 177.00 176.70 1p57 s VAL 121 N -3.12 4.42 0.54 -0.36 0.11 -0.69 -4.87 120.40 116.43 1p57 s VAL 121 Ca 0.58 -1.41 -0.01 0.00 -2.93 0.00 0.00 61.98 58.21 1p57 s VAL 121 Cb -0.13 -3.39 0.02 0.00 -1.53 0.00 0.00 36.38 31.35 1p57 s VAL 121 CO 0.54 -0.34 0.79 0.00 -3.33 0.00 0.00 175.10 172.76 1p57 s LEU 123 N -4.79 4.05 0.50 0.00 1.43 -1.26 -0.71 118.68 117.90 1p57 s LEU 123 Ca 0.54 -0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.31 1p57 s LEU 123 Cb -0.10 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 1p57 s LEU 123 CO 0.40 -0.05 1.25 -0.81 0.23 0.00 0.00 176.35 177.37 1p57 n PRO 124 N -1.27 1.63 -1.79 1.29 -0.04 -1.26 -4.80 135.00 128.76 1p57 n PRO 124 Ca -0.08 0.60 -0.30 0.00 -0.04 0.00 0.00 63.50 63.67 1p57 n PRO 124 Cb 0.57 -2.41 0.04 0.00 -0.04 0.00 0.00 33.50 31.66 1p57 n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p57 s ALA 125 N -1.29 2.85 0.24 0.55 0.00 -1.26 -4.90 121.76 117.94 1p57 s ALA 125 Ca 0.68 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.14 1p57 s ALA 125 Cb -0.46 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 1p57 s ALA 125 CO 0.52 -1.08 1.59 0.00 0.00 0.00 0.00 175.76 176.79 1p57 n ALA 126 N -3.00 2.15 -0.12 0.00 0.00 -1.26 -0.48 120.51 117.80 1p57 n ALA 126 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1p57 n ALA 126 Cb 0.56 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1p57 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p57 n GLY 127 N 2.78 2.64 3.66 0.00 0.00 -1.26 -4.97 105.19 108.04 1p57 n GLY 127 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1p57 n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1p57 s GLN 128 N -0.00 4.20 0.26 1.61 0.74 0.37 -5.00 119.66 121.84 1p57 s GLN 128 Ca 0.00 2.00 0.07 0.00 0.05 0.00 0.00 55.36 57.48 1p57 s GLN 128 Cb 0.00 -3.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 1p57 s GLN 128 CO 0.00 -0.78 0.25 0.00 -0.55 0.00 0.00 175.29 174.20 1p57 s ALA 129 N 3.76 3.70 0.34 1.58 0.00 -1.26 -4.80 121.76 125.08 1p57 s ALA 129 Ca 0.67 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 1p57 s ALA 129 Cb -0.29 -1.39 -0.09 0.00 0.00 0.00 0.00 23.12 21.35 1p57 s ALA 129 CO 0.24 0.22 1.13 -0.51 0.00 0.00 0.00 175.76 176.84 1p57 s LEU 130 N -3.89 4.37 -0.44 0.00 1.43 -1.26 -4.99 118.68 113.90 1p57 s LEU 130 Ca 0.34 2.30 -0.16 0.00 -1.03 0.00 0.00 54.13 55.58 1p57 s LEU 130 Cb -0.08 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.35 1p57 s LEU 130 CO 0.26 -0.39 0.37 -0.69 0.23 0.00 0.00 176.35 176.14 1p57 s VAL 131 N -1.31 5.20 0.37 -1.59 1.01 -1.26 -5.04 120.40 117.77 1p57 s VAL 131 Ca 0.51 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 1p57 s VAL 131 Cb -0.31 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 1p57 s VAL 131 CO 0.39 -0.44 1.48 0.47 0.00 0.00 0.00 175.10 177.00 1p57 n ASP 132 N 5.32 3.74 0.00 3.32 8.00 -1.26 -1.63 116.55 134.03 1p57 n ASP 132 Ca -0.10 1.23 0.00 0.00 0.71 0.00 0.00 54.79 56.62 1p57 n ASP 132 Cb 0.46 -1.61 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 1p57 n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p57 n GLY 133 N 0.52 3.20 3.77 0.44 0.00 -0.28 -4.93 105.19 107.90 1p57 n GLY 133 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1p57 n GLY 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p57 s LYS 134 N -0.46 3.90 -0.30 1.61 2.20 -0.65 -4.49 119.74 121.56 1p57 s LYS 134 Ca 0.00 2.07 -0.13 0.00 -0.36 0.00 0.00 55.97 57.54 1p57 s LYS 134 Cb 0.00 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1p57 s LYS 134 CO 0.00 -0.52 0.29 0.42 -0.36 0.00 0.00 175.35 175.18 1p57 s ILE 135 N -1.32 5.24 0.51 5.43 1.01 -1.26 -1.27 121.20 129.54 1p57 s ILE 135 Ca 0.59 0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.42 1p57 s ILE 135 Cb -0.36 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1p57 s ILE 135 CO 0.46 0.10 0.06 0.00 0.00 0.00 0.00 174.94 175.55 1p57 s THR 137 N -2.82 2.61 -0.01 0.00 2.01 -0.43 -1.20 115.64 115.80 1p57 s THR 137 Ca 0.04 -1.13 0.05 0.00 0.31 0.00 0.00 61.69 60.97 1p57 s THR 137 Cb -0.00 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 1p57 s THR 137 CO 0.03 0.42 -0.17 0.54 -0.69 0.00 0.00 174.62 174.75 1p57 s VAL 138 N -0.82 1.37 0.11 3.82 0.11 -0.21 -1.15 120.40 123.62 1p57 s VAL 138 Ca 0.13 -0.77 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1p57 s VAL 138 Cb -0.10 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 1p57 s VAL 138 CO 0.03 0.36 -0.07 0.42 -3.33 0.00 0.00 175.10 172.51 1p57 s THR 139 N -0.44 0.80 0.00 5.04 -4.23 -1.18 -1.45 115.64 114.17 1p57 s THR 139 Ca 0.06 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1p57 s THR 139 Cb -0.07 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1p57 s THR 139 CO -0.00 -0.84 0.00 0.61 -0.54 0.00 0.00 174.62 173.84 1p57 n GLY 140 N -0.08 0.89 1.02 3.99 0.00 -0.85 -4.44 105.19 105.73 1p57 n GLY 140 Ca -0.12 -1.10 0.08 0.00 0.00 0.00 0.00 46.02 44.88 1p57 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1p57 n TRP 141 N -0.77 1.03 -1.27 1.61 8.01 -1.26 -1.52 117.44 123.27 1p57 n TRP 141 Ca 0.00 -0.77 -0.30 0.00 -1.31 0.00 0.00 57.50 55.12 1p57 n TRP 141 Cb 0.00 -0.28 0.22 0.00 -2.01 0.00 0.00 31.31 29.24 1p57 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1p57 s GLY 142 N -1.55 1.62 0.40 6.99 0.00 -1.25 -1.49 107.32 112.04 1p57 s GLY 142 Ca 0.41 -0.94 -0.25 0.00 0.00 0.00 0.00 44.72 43.93 1p57 s GLY 142 CO 0.12 -0.11 1.08 0.70 0.00 0.00 0.00 173.10 174.89 1p57 n ASN 143 N -4.49 1.62 -0.62 1.64 4.13 0.23 -2.65 115.26 115.12 1p57 n ASN 143 Ca 0.13 1.08 0.13 0.00 1.68 0.00 0.00 54.58 57.59 1p57 n ASN 143 Cb 0.59 -1.38 0.33 0.00 -1.54 0.00 0.00 39.78 37.78 1p57 n ASN 143 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1p57 n THR 144 N -0.30 0.00 -3.64 3.41 -2.24 -1.06 -0.69 114.28 109.76 1p57 n THR 144 Ca 0.09 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1p57 n THR 144 Cb 0.38 0.89 -0.08 0.00 -2.10 0.00 0.00 70.33 69.42 1p57 n THR 144 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1p57 s GLN 145 N -2.08 0.79 0.20 -0.78 -1.52 -1.26 -4.33 119.66 110.67 1p57 s GLN 145 Ca 0.32 0.66 -0.11 0.00 -1.95 0.00 0.00 55.36 54.28 1p57 s GLN 145 Cb 0.20 0.38 0.24 0.00 -0.22 0.00 0.00 33.01 33.61 1p57 s GLN 145 CO 0.36 -0.14 1.72 -0.92 -0.25 0.00 0.00 175.29 176.06 1p57 h TYR 146 N 4.62 0.24 -1.99 0.91 3.20 -1.87 -0.61 116.97 121.46 1p57 h TYR 146 Ca -0.28 0.03 -0.75 0.00 3.14 0.00 0.00 58.73 60.87 1p57 h TYR 146 Cb 1.16 -0.02 -0.29 0.00 1.54 0.00 0.00 36.73 39.11 1p57 h TYR 146 CO 0.40 0.02 0.79 0.66 -1.64 0.00 0.00 178.16 178.39 1p57 n TYR 147 N -5.08 3.03 -3.84 -3.82 4.02 -1.26 -4.91 117.16 105.30 1p57 n TYR 147 Ca 0.07 -2.51 0.00 0.00 -0.01 0.00 0.00 57.90 55.45 1p57 n TYR 147 Cb 0.27 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.56 1p57 n TYR 147 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1p57 n GLY 148 N -0.44 4.53 3.70 2.72 0.00 -0.24 -5.12 105.19 110.34 1p57 n GLY 148 Ca 0.50 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 1p57 n GLY 148 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p57 s GLN 150 N -1.52 2.24 0.91 1.61 -1.52 -1.26 -4.84 119.66 115.28 1p57 s GLN 150 Ca 0.00 -1.69 -0.10 0.00 -1.95 0.00 0.00 55.36 51.62 1p57 s GLN 150 Cb 0.00 -2.04 0.14 0.00 -0.22 0.00 0.00 33.01 30.89 1p57 s GLN 150 CO 0.00 0.07 1.13 -0.65 -0.25 0.00 0.00 175.29 175.58 1p57 s GLN 151 N -3.81 1.10 0.24 2.91 -0.21 -1.26 -2.57 119.66 116.06 1p57 s GLN 151 Ca 0.37 1.40 -0.21 0.00 0.02 0.00 0.00 55.36 56.94 1p57 s GLN 151 Cb -0.00 -1.75 -0.09 0.00 1.00 0.00 0.00 33.01 32.17 1p57 s GLN 151 CO 0.21 -2.52 0.77 0.00 -2.12 0.00 0.00 175.29 171.64 1p57 s ALA 152 N -2.69 3.37 0.08 6.09 0.00 -0.56 -4.82 121.76 123.23 1p57 s ALA 152 Ca 0.66 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.88 1p57 s ALA 152 Cb -0.22 -2.90 -0.25 0.00 0.00 0.00 0.00 23.12 19.75 1p57 s ALA 152 CO 0.58 0.29 1.13 0.78 0.00 0.00 0.00 175.76 178.54 1p57 h GLY 153 N 3.39 0.17 -4.50 0.00 0.00 -1.93 -3.45 103.07 96.75 1p57 h GLY 153 Ca -0.48 -0.42 -0.70 0.00 0.00 0.00 0.00 47.33 45.73 1p57 h GLY 153 CO 0.65 0.37 -0.89 0.14 0.00 0.00 0.00 176.54 176.82 1p57 s VAL 154 N -2.67 2.08 0.27 4.60 1.01 -1.26 -1.58 120.40 122.86 1p57 s VAL 154 Ca -0.03 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 1p57 s VAL 154 Cb 0.08 -1.75 -0.13 0.00 0.00 0.00 0.00 36.38 34.58 1p57 s VAL 154 CO 0.85 0.50 1.25 -0.11 0.00 0.00 0.00 175.10 177.59 1p57 n LEU 155 N 2.20 2.74 -4.58 3.92 7.94 0.69 -4.86 117.00 125.06 1p57 n LEU 155 Ca -0.16 1.17 -0.28 0.00 -1.11 0.00 0.00 56.01 55.63 1p57 n LEU 155 Cb 0.51 -1.39 -0.09 0.00 0.53 0.00 0.00 43.42 42.98 1p57 n LEU 155 CO 0.23 -0.80 -0.41 -1.10 -1.11 0.00 0.00 177.39 174.20 1p57 s GLN 156 N -1.13 2.10 0.02 1.96 -1.52 -0.57 -1.76 119.66 118.77 1p57 s GLN 156 Ca 0.63 -1.17 0.03 0.00 -1.95 0.00 0.00 55.36 52.89 1p57 s GLN 156 Cb -0.66 -2.22 -0.02 0.00 -0.22 0.00 0.00 33.01 29.89 1p57 s GLN 156 CO 0.56 0.46 -0.09 -1.83 -0.25 0.00 0.00 175.29 174.14 1p57 s GLU 157 N -2.61 0.64 0.02 2.91 -1.05 -0.49 -2.01 118.70 116.10 1p57 s GLU 157 Ca 0.24 -0.57 -0.08 0.00 -0.15 0.00 0.00 54.97 54.40 1p57 s GLU 157 Cb -0.10 -0.55 0.00 0.00 -0.44 0.00 0.00 34.13 33.04 1p57 s GLU 157 CO 0.15 0.13 0.16 0.00 0.95 0.00 0.00 175.26 176.66 1p57 s ALA 158 N -0.79 -0.34 -0.13 -0.84 0.00 -0.53 -1.61 121.76 117.52 1p57 s ALA 158 Ca -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1p57 s ALA 158 Cb -0.07 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1p57 s ALA 158 CO 0.00 -0.27 -0.09 1.03 0.00 0.00 0.00 175.76 176.44 1p57 s ARG 159 N -1.86 3.43 -0.01 0.00 0.52 -1.26 -1.05 118.95 118.72 1p57 s ARG 159 Ca -0.11 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 1p57 s ARG 159 Cb -0.05 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1p57 s ARG 159 CO -0.00 0.27 0.07 0.14 0.02 0.00 0.00 175.30 175.80 1p57 s VAL 160 N 0.23 0.04 0.43 3.52 -7.23 -0.34 -4.95 120.40 112.10 1p57 s VAL 160 Ca -0.06 -0.35 -0.15 0.00 -1.81 0.00 0.00 61.98 59.61 1p57 s VAL 160 Cb -0.15 -0.22 -0.08 0.00 0.56 0.00 0.00 36.38 36.49 1p57 s VAL 160 CO 0.04 -0.19 0.86 -2.16 -0.31 0.00 0.00 175.10 173.34 1p57 s PRO 161 N -0.60 3.93 0.28 4.82 0.04 -1.26 -1.40 135.00 140.81 1p57 s PRO 161 Ca -0.07 0.76 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 1p57 s PRO 161 Cb -0.04 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1p57 s PRO 161 CO 0.00 -0.09 1.04 0.42 0.04 0.00 0.00 177.00 178.41 1p57 s ILE 162 N -2.38 3.72 0.08 0.56 1.01 -0.40 -1.07 121.20 122.72 1p57 s ILE 162 Ca 0.56 1.69 0.06 0.00 0.00 0.00 0.00 60.65 62.96 1p57 s ILE 162 Cb -0.10 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1p57 s ILE 162 CO 0.27 0.37 -0.11 -0.63 0.00 0.00 0.00 174.94 174.84 1p57 s ILE 163 N -1.22 3.34 0.46 2.92 1.01 -0.24 -1.13 121.20 126.34 1p57 s ILE 163 Ca 0.45 -1.17 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 1p57 s ILE 163 Cb -0.29 -2.52 -0.10 0.00 0.01 0.00 0.00 42.46 39.56 1p57 s ILE 163 CO 0.36 0.19 0.98 -0.94 0.00 0.00 0.00 174.94 175.54 1p57 s SER 164 N -1.97 6.70 0.48 3.58 1.04 -1.26 -4.33 113.70 117.94 1p57 s SER 164 Ca 0.20 1.74 0.19 0.00 0.48 0.00 0.00 55.95 58.56 1p57 s SER 164 Cb -0.11 -2.54 1.18 0.00 0.10 0.00 0.00 66.02 64.65 1p57 s SER 164 CO 0.11 -0.53 2.04 0.78 0.98 0.00 0.00 173.24 176.62 1p57 h ASN 165 N 1.65 0.00 -0.54 7.02 4.21 -1.95 0.48 115.58 126.44 1p57 h ASN 165 Ca -0.49 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.01 1p57 h ASN 165 Cb 1.19 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.37 1p57 h ASN 165 CO 0.60 0.15 0.27 0.44 -1.29 0.00 0.00 177.43 177.61 1p57 h ASP 166 N 0.00 0.69 0.27 5.81 3.45 -1.98 0.52 116.42 125.18 1p57 h ASP 166 Ca -0.00 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 1p57 h ASP 166 Cb 0.29 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1p57 h ASP 166 CO 0.02 0.60 -0.13 0.58 -1.57 0.00 0.00 179.24 178.74 1p57 h VAL 167 N 0.72 0.60 -0.53 -1.35 2.07 -1.71 -3.21 116.25 112.84 1p57 h VAL 167 Ca 0.19 -0.86 0.11 0.00 0.82 0.00 0.00 66.70 66.96 1p57 h VAL 167 Cb 0.09 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1p57 h VAL 167 CO -0.03 0.14 0.36 0.00 0.02 0.00 0.00 177.57 178.07 1p57 n ASN 169 N -4.44 1.10 -4.78 0.00 3.02 0.16 -0.91 115.26 109.41 1p57 n ASN 169 Ca 0.09 -1.58 -0.34 0.00 -0.03 0.00 0.00 54.58 52.72 1p57 n ASN 169 Cb 0.44 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.56 1p57 n ASN 169 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1p57 s GLY 170 N -1.63 2.43 0.58 7.41 0.00 -0.43 -0.76 107.32 114.92 1p57 s GLY 170 Ca 0.32 0.66 0.31 0.00 0.00 0.00 0.00 44.72 46.01 1p57 s GLY 170 CO 0.26 1.00 1.72 0.00 0.00 0.00 0.00 173.10 176.08 1p57 h ALA 171 N 0.89 2.68 -0.00 3.20 0.00 -1.90 0.19 119.26 124.32 1p57 h ALA 171 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1p57 h ALA 171 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1p57 h ALA 171 CO 0.57 -1.23 -0.38 -0.25 0.00 0.00 0.00 179.25 177.96 1p57 n ASP 172 N -3.72 0.71 0.00 0.00 8.00 -1.26 -4.41 116.55 115.87 1p57 n ASP 172 Ca 0.18 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1p57 n ASP 172 Cb 1.08 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.36 1p57 n ASP 172 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1p57 n PHE 173 N -1.12 0.00 -1.23 1.24 3.01 0.55 -4.83 117.46 115.07 1p57 n PHE 173 Ca 0.09 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.53 1p57 n PHE 173 Cb 0.34 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.04 1p57 n PHE 173 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1p57 n TYR 174 N 0.00 1.39 -1.02 1.38 4.02 -0.09 -4.86 117.16 117.99 1p57 n TYR 174 Ca 0.00 -1.34 0.00 0.00 -0.01 0.00 0.00 57.90 56.55 1p57 n TYR 174 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 38.82 1p57 n TYR 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1p57 n GLY 175 N -0.81 0.00 2.42 2.72 0.00 -0.45 -1.15 105.19 107.92 1p57 n GLY 175 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.17 1p57 n GLY 175 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p57 n ASN 175 N 0.75 -5.11 -0.37 1.61 3.02 0.06 -4.90 115.26 110.33 1p57 n ASN 175 Ca 0.00 0.20 0.11 0.00 -0.03 0.00 0.00 54.58 54.87 1p57 n ASN 175 Cb 0.00 -4.17 0.07 0.00 -0.61 0.00 0.00 39.78 35.07 1p57 n ASN 175 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p57 n GLN 175 N -2.59 0.95 -3.15 3.52 6.02 -0.30 -4.81 117.38 117.02 1p57 n GLN 175 Ca -0.19 -0.74 -0.43 0.00 -0.01 0.00 0.00 57.00 55.63 1p57 n GLN 175 Cb 0.62 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.32 1p57 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1p57 s ILE 176 N -2.56 4.89 0.67 5.09 -1.09 -1.26 -5.03 121.20 121.90 1p57 s ILE 176 Ca 0.18 0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.60 1p57 s ILE 176 Cb 0.18 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1p57 s ILE 176 CO 0.60 -0.53 0.98 -0.54 -1.23 0.00 0.00 174.94 174.22 1p57 s LYS 177 N 2.67 2.44 0.51 2.79 -0.14 -1.26 -4.96 119.74 121.79 1p57 s LYS 177 Ca 0.21 -0.16 0.24 0.00 -1.36 0.00 0.00 55.97 54.89 1p57 s LYS 177 Cb -0.15 -2.20 1.37 0.00 -1.68 0.00 0.00 37.83 35.17 1p57 s LYS 177 CO 0.18 -1.06 2.08 -1.35 -0.76 0.00 0.00 175.35 174.43 1p57 h PRO 178 N -0.46 0.00 -1.02 -1.68 0.11 -2.01 -2.67 132.00 124.27 1p57 h PRO 178 Ca -0.45 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.22 1p57 h PRO 178 Cb 1.30 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.15 1p57 h PRO 178 CO 0.60 0.12 0.57 1.63 -0.21 0.00 0.00 178.00 180.71 1p57 n LYS 179 N -3.88 2.08 -3.90 1.05 5.02 -1.26 -4.87 118.16 112.40 1p57 n LYS 179 Ca -0.02 -2.54 -0.09 0.00 -2.02 0.00 0.00 58.31 53.65 1p57 n LYS 179 Cb 0.22 -1.99 -0.08 0.00 -0.02 0.00 0.00 35.03 33.16 1p57 n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p57 s MET 180 N -2.80 0.85 0.20 1.97 0.23 -1.01 -1.38 119.30 117.36 1p57 s MET 180 Ca 0.48 -1.02 -0.08 0.00 -1.03 0.00 0.00 55.69 54.05 1p57 s MET 180 Cb 0.40 0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 34.02 1p57 s MET 180 CO 0.08 -0.26 0.30 -0.59 -2.03 0.00 0.00 175.02 172.52 1p57 s PHE 181 N -3.88 0.58 0.13 3.16 -0.12 -0.05 -4.73 117.98 113.08 1p57 s PHE 181 Ca 0.07 -0.92 0.08 0.00 -0.05 0.00 0.00 56.93 56.11 1p57 s PHE 181 Cb 0.05 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 1p57 s PHE 181 CO -0.10 -0.78 -0.13 0.00 -0.05 0.00 0.00 175.22 174.17 1p57 s ALA 183 N -1.34 -0.74 0.00 0.00 0.00 -0.59 -1.08 121.76 118.01 1p57 s ALA 183 Ca 0.21 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1p57 s ALA 183 Cb -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1p57 s ALA 183 CO 0.13 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1p57 n GLY 184 N 2.96 -0.64 3.50 0.00 0.00 -0.23 -2.23 105.19 108.54 1p57 n GLY 184 Ca -0.13 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 1p57 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p57 s TYR 184 N -2.49 2.83 0.40 1.61 2.02 -1.26 -4.37 117.35 116.10 1p57 s TYR 184 Ca 0.00 -0.19 0.18 0.00 -0.37 0.00 0.00 57.07 56.69 1p57 s TYR 184 Cb 0.00 -1.72 1.10 0.00 -0.40 0.00 0.00 41.96 40.94 1p57 s TYR 184 CO 0.00 0.15 1.80 -1.35 -1.57 0.00 0.00 175.55 174.58 1p57 h PRO 185 N 5.65 0.39 0.00 -1.71 0.11 -1.99 -3.41 132.00 131.05 1p57 h PRO 185 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1p57 h PRO 185 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1p57 h PRO 185 CO 0.53 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 1p57 n GLU 186 N -4.58 0.00 0.00 1.05 4.71 -1.26 -0.74 120.64 119.82 1p57 n GLU 186 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 1p57 n GLU 186 Cb 0.83 -0.22 0.00 0.00 -1.01 0.00 0.00 31.44 31.04 1p57 n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p57 n GLY 186 N 1.67 3.88 3.05 0.62 0.00 0.26 -4.03 105.19 110.64 1p57 n GLY 186 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1p57 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p57 s ILE 186 N 0.00 1.32 0.05 -0.61 1.01 -1.26 -3.80 121.20 117.91 1p57 s ILE 186 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.80 1p57 s ILE 186 Cb 0.00 -1.20 0.10 0.00 0.01 0.00 0.00 42.46 41.37 1p57 s ILE 186 CO 0.00 0.40 1.18 -0.62 0.00 0.00 0.00 174.94 175.90 1p57 s ASP 189 N 0.75 -0.09 0.71 3.58 2.15 -0.74 -4.55 116.67 118.48 1p57 s ASP 189 Ca -0.12 -0.25 -0.05 0.00 0.43 0.00 0.00 52.55 52.55 1p57 s ASP 189 Cb -0.16 0.28 0.08 0.00 -0.30 0.00 0.00 42.92 42.82 1p57 s ASP 189 CO 0.03 -0.52 1.01 0.00 -0.17 0.00 0.00 175.17 175.52 1p57 s ALA 190 N -2.65 3.26 0.25 3.66 0.00 -1.26 -0.48 121.76 124.55 1p57 s ALA 190 Ca 0.15 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 1p57 s ALA 190 Cb 0.02 -2.44 0.03 0.00 0.00 0.00 0.00 23.12 20.73 1p57 s ALA 190 CO -0.01 -1.37 0.48 0.00 0.00 0.00 0.00 175.76 174.86 1p57 n GLN 192 N -0.35 1.82 0.00 0.00 7.27 -1.26 -0.88 117.38 123.97 1p57 n GLN 192 Ca -0.05 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.68 1p57 n GLN 192 Cb 0.39 -2.39 0.00 0.00 2.41 0.00 0.00 30.24 30.65 1p57 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p57 n GLY 193 N 3.16 0.28 0.00 1.69 0.00 -1.26 -0.60 105.19 108.47 1p57 n GLY 193 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1p57 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p57 n ASP 194 N 0.00 0.82 -4.59 1.61 8.00 -0.06 -3.81 116.55 118.52 1p57 n ASP 194 Ca 0.00 -0.80 -0.47 0.00 0.71 0.00 0.00 54.79 54.23 1p57 n ASP 194 Cb 0.00 1.14 -0.03 0.00 -0.02 0.00 0.00 41.12 42.21 1p57 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1p57 n SER 195 N -1.64 1.41 0.00 -2.24 7.64 -1.26 -2.07 113.62 115.47 1p57 n SER 195 Ca 0.03 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1p57 n SER 195 Cb 0.37 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1p57 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p57 n GLY 196 N 1.74 3.28 2.92 0.23 0.00 0.21 -0.68 105.19 112.88 1p57 n GLY 196 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1p57 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p57 n GLY 197 N -1.76 -1.19 3.80 -0.02 0.00 -0.88 -3.60 105.19 101.54 1p57 n GLY 197 Ca 0.00 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 1p57 n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p57 s PRO 198 N -5.12 4.36 -0.29 1.61 0.04 -1.26 -1.05 135.00 133.28 1p57 s PRO 198 Ca 0.56 1.02 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 1p57 s PRO 198 Cb -0.02 -2.85 0.09 0.00 0.04 0.00 0.00 34.50 31.76 1p57 s PRO 198 CO 0.39 0.35 0.06 0.12 0.04 0.00 0.00 177.00 177.97 1p57 s PHE 199 N -1.56 2.05 0.01 0.56 5.36 -0.87 -3.11 117.98 120.42 1p57 s PHE 199 Ca 0.45 -1.82 0.07 0.00 -0.96 0.00 0.00 56.93 54.68 1p57 s PHE 199 Cb -0.17 -1.79 -0.03 0.00 -0.34 0.00 0.00 43.02 40.69 1p57 s PHE 199 CO 0.22 -0.84 -0.22 0.14 -1.46 0.00 0.00 175.22 173.06 1p57 s VAL 200 N 1.50 2.46 0.01 3.12 -7.23 -0.30 -1.56 120.40 118.39 1p57 s VAL 200 Ca 0.06 -1.13 0.07 0.00 -1.81 0.00 0.00 61.98 59.17 1p57 s VAL 200 Cb -0.18 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 1p57 s VAL 200 CO -0.17 0.47 -0.21 0.00 -0.31 0.00 0.00 175.10 174.87 1p57 s GLU 202 N -0.82 3.44 0.18 0.00 2.12 -1.26 -0.99 118.70 121.36 1p57 s GLU 202 Ca 0.08 -0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.12 1p57 s GLU 202 Cb -0.08 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 1p57 s GLU 202 CO 0.00 0.70 0.28 0.16 -0.54 0.00 0.00 175.26 175.87 1p57 s ASP 203 N -0.81 0.05 -0.19 -1.70 1.47 -0.59 -4.95 116.67 109.95 1p57 s ASP 203 Ca 0.13 -0.93 0.13 0.00 1.18 0.00 0.00 52.55 53.06 1p57 s ASP 203 Cb -0.12 0.44 0.42 0.00 -0.34 0.00 0.00 42.92 43.33 1p57 s ASP 203 CO 0.03 -0.91 1.21 -1.20 0.68 0.00 0.00 175.17 174.98 1p57 n SER 204 N -0.23 1.69 0.20 2.11 7.64 -1.26 -0.96 113.62 122.81 1p57 n SER 204 Ca -0.06 -3.68 0.15 0.00 1.01 0.00 0.00 58.87 56.29 1p57 n SER 204 Cb 0.63 -0.50 0.60 0.00 -1.01 0.00 0.00 64.21 63.93 1p57 n SER 204 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1p57 h ILE 205 N 1.73 0.00 -0.58 0.44 3.07 -1.97 -0.58 117.51 119.63 1p57 h ILE 205 Ca -0.02 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1p57 h ILE 205 Cb 1.12 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 1p57 h ILE 205 CO 0.03 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.59 1p57 n SER 206 N -2.65 5.47 0.00 2.16 3.41 -1.26 -4.89 113.62 115.86 1p57 n SER 206 Ca 0.01 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 1p57 n SER 206 Cb 0.26 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1p57 n SER 206 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p57 n ARG 207 N 0.72 -0.27 -4.25 4.33 1.74 -0.22 -4.96 116.66 113.74 1p57 n ARG 207 Ca 0.27 0.07 -0.18 0.00 -0.77 0.00 0.00 57.85 57.24 1p57 n ARG 207 Cb 1.12 -3.52 -0.15 0.00 -1.02 0.00 0.00 32.46 28.89 1p57 n ARG 207 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1p57 s THR 208 N -2.35 0.55 0.11 0.55 2.01 -1.25 -5.04 115.64 110.22 1p57 s THR 208 Ca 0.00 -0.27 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 1p57 s THR 208 Cb 0.00 -0.48 -0.10 0.00 0.01 0.00 0.00 72.50 71.93 1p57 s THR 208 CO 0.00 0.17 1.74 -2.16 -0.69 0.00 0.00 174.62 173.68 1p57 s PRO 208 N 0.00 4.16 0.03 4.92 0.04 -1.26 -4.32 135.00 138.58 1p57 s PRO 208 Ca 0.00 2.49 0.01 0.00 0.04 0.00 0.00 61.00 63.54 1p57 s PRO 208 Cb -0.05 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 1p57 s PRO 208 CO -0.00 -0.78 -0.05 1.03 0.04 0.00 0.00 177.00 177.23 1p57 s ARG 208 N 2.50 0.41 -0.12 4.56 0.52 -0.13 -4.95 118.95 121.73 1p57 s ARG 208 Ca 0.77 -0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 55.25 1p57 s ARG 208 Cb -0.44 -0.13 -0.05 0.00 0.52 0.00 0.00 34.95 34.86 1p57 s ARG 208 CO 0.34 0.01 0.25 -1.58 0.02 0.00 0.00 175.30 174.34 1p57 s TRP 208 N -1.25 3.56 0.10 -0.53 0.52 -1.26 -1.54 118.94 118.54 1p57 s TRP 208 Ca -0.11 0.63 0.08 0.00 0.02 0.00 0.00 56.10 56.72 1p57 s TRP 208 Cb -0.09 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 1p57 s TRP 208 CO -0.00 0.49 -0.21 1.03 0.02 0.00 0.00 176.95 178.28 1p57 s ARG 208 N -0.36 1.15 -0.68 4.98 0.52 -0.16 -2.70 118.95 121.69 1p57 s ARG 208 Ca 0.17 -1.16 -0.24 0.00 -0.52 0.00 0.00 55.73 53.97 1p57 s ARG 208 Cb -0.13 -1.42 0.06 0.00 0.52 0.00 0.00 34.95 33.97 1p57 s ARG 208 CO 0.05 0.33 1.05 -1.17 0.02 0.00 0.00 175.30 175.58 1p57 s LEU 209 N -1.89 4.07 -0.01 2.53 2.96 0.11 -1.65 118.68 124.80 1p57 s LEU 209 Ca 0.07 -0.86 0.16 0.00 -0.22 0.00 0.00 54.13 53.28 1p57 s LEU 209 Cb -0.10 -2.46 -0.19 0.00 0.50 0.00 0.00 46.19 43.94 1p57 s LEU 209 CO 0.04 -1.54 0.66 0.00 -1.32 0.00 0.00 176.35 174.18 1p57 s GLY 211 N -4.98 0.53 -0.11 0.00 0.00 -0.88 -2.08 107.32 99.80 1p57 s GLY 211 Ca -0.05 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.71 1p57 s GLY 211 CO 0.82 -0.97 -0.18 -0.42 0.00 0.00 0.00 173.10 172.36 1p57 s ILE 212 N -3.97 1.66 -0.03 0.90 1.01 -1.03 -2.04 121.20 117.70 1p57 s ILE 212 Ca 0.16 -0.75 -0.32 0.00 0.00 0.00 0.00 60.65 59.74 1p57 s ILE 212 Cb 0.05 -1.48 -0.10 0.00 0.01 0.00 0.00 42.46 40.93 1p57 s ILE 212 CO -0.02 0.47 1.94 0.52 0.00 0.00 0.00 174.94 177.85 1p57 n VAL 213 N 3.99 0.68 0.01 2.92 0.31 -0.22 -1.37 118.33 124.65 1p57 n VAL 213 Ca -0.20 -0.13 -0.03 0.00 -0.01 0.00 0.00 64.34 63.97 1p57 n VAL 213 Cb 0.52 -2.11 -0.01 0.00 -0.91 0.00 0.00 33.84 31.32 1p57 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1p57 n SER 214 N 7.23 1.05 -2.69 4.52 2.88 -0.78 -0.62 113.62 125.20 1p57 n SER 214 Ca 0.22 0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.85 1p57 n SER 214 Cb 0.35 -0.35 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1p57 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1p57 n TRP 215 N -3.58 -1.75 0.00 0.66 4.27 -0.97 -4.91 117.44 111.16 1p57 n TRP 215 Ca -0.05 -1.35 0.00 0.00 -3.89 0.00 0.00 57.50 52.21 1p57 n TRP 215 Cb 0.23 0.67 0.00 0.00 -1.36 0.00 0.00 31.31 30.85 1p57 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1p57 n GLY 216 N -0.52 1.06 3.57 -1.67 0.00 -1.26 -0.67 105.19 105.69 1p57 n GLY 216 Ca -0.05 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1p57 n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p57 s THR 217 N -2.00 5.15 0.00 2.61 2.01 -1.26 -4.89 115.64 117.26 1p57 s THR 217 Ca 0.00 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1p57 s THR 217 Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1p57 s THR 217 CO 0.00 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1p57 n GLY 219 N 4.84 0.75 3.08 4.40 0.00 -1.26 -4.70 105.19 112.30 1p57 n GLY 219 Ca -0.08 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1p57 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p57 n ALA 221 N 3.71 -0.44 -1.84 0.00 0.00 -1.26 -4.78 120.51 115.90 1p57 n ALA 221 Ca -0.20 0.26 -0.32 0.00 0.00 0.00 0.00 53.44 53.18 1p57 n ALA 221 Cb 0.55 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1p57 n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p57 s LEU 221 N -5.22 3.60 0.45 0.00 1.02 -1.26 -0.57 118.68 116.69 1p57 s LEU 221 Ca 0.00 1.57 -0.23 0.00 0.02 0.00 0.00 54.13 55.49 1p57 s LEU 221 Cb 0.00 -4.51 -0.08 0.00 0.02 0.00 0.00 46.19 41.62 1p57 s LEU 221 CO 0.00 -0.63 1.11 0.00 0.02 0.00 0.00 176.35 176.85 1p57 s ALA 222 N -2.65 2.99 -1.06 4.21 0.00 -1.26 -3.08 121.76 120.92 1p57 s ALA 222 Ca 0.59 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1p57 s ALA 222 Cb -0.10 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1p57 s ALA 222 CO 0.33 -0.47 0.00 1.04 0.00 0.00 0.00 175.76 176.66 1p57 n GLN 223 N -0.44 -1.60 -3.22 0.00 6.02 0.08 -4.88 117.38 113.34 1p57 n GLN 223 Ca 0.07 0.83 -0.24 0.00 -0.01 0.00 0.00 57.00 57.65 1p57 n GLN 223 Cb 0.49 -5.19 -0.07 0.00 1.02 0.00 0.00 30.24 26.49 1p57 n GLN 223 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1p57 n LYS 224 N -0.90 0.99 -1.14 -1.09 4.76 -1.18 -4.25 118.16 115.35 1p57 n LYS 224 Ca -0.10 -3.44 -0.29 0.00 -2.87 0.00 0.00 58.31 51.61 1p57 n LYS 224 Cb 0.55 -1.39 0.16 0.00 -1.84 0.00 0.00 35.03 32.51 1p57 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1p57 s PRO 225 N -1.44 0.86 0.47 1.97 0.04 -1.26 -4.37 135.00 131.26 1p57 s PRO 225 Ca 0.36 0.74 -0.19 0.00 0.04 0.00 0.00 61.00 61.95 1p57 s PRO 225 Cb 0.18 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.85 1p57 s PRO 225 CO -0.10 -2.50 0.97 0.20 0.04 0.00 0.00 177.00 175.62 1p57 s GLY 226 N -3.36 2.26 -0.07 0.56 0.00 -0.95 -4.66 107.32 101.09 1p57 s GLY 226 Ca 0.64 0.32 0.01 0.00 0.00 0.00 0.00 44.72 45.70 1p57 s GLY 226 CO 0.58 0.60 -0.09 0.14 0.00 0.00 0.00 173.10 174.32 1p57 s VAL 227 N -2.36 3.48 0.14 1.40 1.01 0.15 -1.54 120.40 122.68 1p57 s VAL 227 Ca 0.61 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1p57 s VAL 227 Cb -0.10 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1p57 s VAL 227 CO 0.21 0.58 -0.16 -0.31 0.00 0.00 0.00 175.10 175.42 1p57 s TYR 228 N -0.61 1.60 0.18 5.22 1.51 0.98 -1.87 117.35 124.36 1p57 s TYR 228 Ca 0.09 -0.51 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 1p57 s TYR 228 Cb -0.11 -0.82 -0.08 0.00 -0.11 0.00 0.00 41.96 40.84 1p57 s TYR 228 CO 0.02 0.23 0.94 0.99 -1.11 0.00 0.00 175.55 176.61 1p57 s THR 229 N -2.06 4.27 -0.54 -0.71 2.01 -0.47 -0.87 115.64 117.28 1p57 s THR 229 Ca 0.12 2.05 -0.21 0.00 0.31 0.00 0.00 61.69 63.97 1p57 s THR 229 Cb -0.05 -4.31 0.06 0.00 0.01 0.00 0.00 72.50 68.20 1p57 s THR 229 CO 0.05 0.42 0.74 -0.75 -0.69 0.00 0.00 174.62 174.39 1p57 s LYS 230 N -0.68 3.17 0.29 4.92 2.20 -0.48 -2.47 119.74 126.70 1p57 s LYS 230 Ca 0.43 -0.76 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 1p57 s LYS 230 Cb -0.25 -4.11 0.55 0.00 -1.51 0.00 0.00 37.83 32.52 1p57 s LYS 230 CO 0.31 -1.36 1.87 0.28 -0.36 0.00 0.00 175.35 176.08 1p57 h VAL 231 N 5.92 0.98 -0.92 4.02 2.07 -1.71 -2.76 116.25 123.85 1p57 h VAL 231 Ca -0.27 -0.34 0.20 0.00 0.82 0.00 0.00 66.70 67.10 1p57 h VAL 231 Cb 1.09 -0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1p57 h VAL 231 CO 1.03 0.18 0.60 0.77 0.02 0.00 0.00 177.57 180.17 1p57 h SER 232 N 1.00 0.47 0.51 0.57 4.64 -1.86 0.85 113.55 119.73 1p57 h SER 232 Ca 0.45 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1p57 h SER 232 Cb 0.37 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1p57 h SER 232 CO -0.21 0.18 0.00 0.47 -0.87 0.00 0.00 176.83 176.41 1p57 n ASP 233 N -4.55 0.00 -0.27 4.97 8.00 -1.04 -2.91 116.55 120.75 1p57 n ASP 233 Ca 0.20 0.33 0.02 0.00 0.71 0.00 0.00 54.79 56.06 1p57 n ASP 233 Cb 0.68 -0.42 0.06 0.00 -0.02 0.00 0.00 41.12 41.41 1p57 n ASP 233 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1p57 n PHE 234 N -1.42 0.17 -0.16 1.24 3.72 0.28 -4.78 117.46 116.51 1p57 n PHE 234 Ca 0.06 -0.42 -0.09 0.00 -0.05 0.00 0.00 57.45 56.95 1p57 n PHE 234 Cb 0.18 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 1p57 n PHE 234 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1p57 h ARG 235 N 0.92 -0.27 -0.25 -1.08 3.08 -1.42 -0.23 114.38 115.13 1p57 h ARG 235 Ca 0.00 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1p57 h ARG 235 Cb 0.54 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1p57 h ARG 235 CO 0.00 -0.18 -0.07 1.49 -1.07 0.00 0.00 179.97 180.14 1p57 h GLU 236 N -0.28 0.40 -0.40 0.04 4.57 -1.86 -1.02 114.58 116.03 1p57 h GLU 236 Ca 0.16 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1p57 h GLU 236 Cb 0.57 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1p57 h GLU 236 CO -0.62 0.49 0.10 2.35 -1.18 0.00 0.00 179.01 180.15 1p57 h TRP 237 N 0.38 0.67 0.10 0.92 7.01 -1.61 -1.16 115.95 122.26 1p57 h TRP 237 Ca 0.08 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1p57 h TRP 237 Cb 0.37 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1p57 h TRP 237 CO 0.01 0.64 -0.05 0.82 -2.79 0.00 0.00 178.44 177.07 1p57 h ILE 238 N 0.50 1.01 -0.62 2.65 2.04 -0.50 0.17 117.51 122.76 1p57 h ILE 238 Ca 0.13 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1p57 h ILE 238 Cb 0.31 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1p57 h ILE 238 CO 0.00 0.09 0.33 -0.26 0.00 0.00 0.00 178.15 178.31 1p57 h PHE 239 N -0.30 0.60 0.70 1.37 0.04 -1.14 -2.13 116.94 116.09 1p57 h PHE 239 Ca -0.01 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1p57 h PHE 239 Cb 0.25 -0.18 0.01 0.00 2.20 0.00 0.00 35.95 38.23 1p57 h PHE 239 CO -0.02 0.28 -0.34 0.37 -0.60 0.00 0.00 178.31 178.01 1p57 h GLN 240 N 0.62 -0.91 -0.84 1.51 4.15 -1.05 -2.82 115.11 115.77 1p57 h GLN 240 Ca 0.28 0.06 0.21 0.00 0.77 0.00 0.00 58.65 59.97 1p57 h GLN 240 Cb 0.19 0.21 -0.14 0.00 0.21 0.00 0.00 27.48 27.95 1p57 h GLN 240 CO -0.19 -0.58 0.15 0.00 -1.93 0.00 0.00 178.83 176.29 1p57 h ALA 241 N -0.88 1.10 -0.07 3.38 0.00 -0.77 0.18 119.26 122.20 1p57 h ALA 241 Ca -0.10 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1p57 h ALA 241 Cb 0.75 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1p57 h ALA 241 CO 0.16 -0.45 0.02 0.82 0.00 0.00 0.00 179.25 179.80 1p57 h ILE 242 N 0.17 1.18 0.51 0.00 2.04 -1.39 0.45 117.51 120.47 1p57 h ILE 242 Ca 0.50 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1p57 h ILE 242 Cb 0.97 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1p57 h ILE 242 CO -0.66 0.15 -0.33 0.11 0.00 0.00 0.00 178.15 177.42 1p57 h LYS 243 N -0.09 -0.76 -0.79 2.37 1.57 -0.75 -1.82 116.57 116.30 1p57 h LYS 243 Ca 0.02 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.00 1p57 h LYS 243 Cb 0.22 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.56 1p57 h LYS 243 CO -0.00 -0.51 -0.27 1.15 -0.57 0.00 0.00 179.45 179.26 1p57 h THR 244 N -0.79 0.15 -0.54 -0.16 2.02 -0.72 -3.12 112.91 109.75 1p57 h THR 244 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1p57 h THR 244 Cb 0.64 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1p57 h THR 244 CO 0.06 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.36 1p57 n HIS 245 N -5.50 1.06 -0.35 3.16 8.25 0.14 -4.66 115.22 117.32 1p57 n HIS 245 Ca 0.10 -0.59 0.33 0.00 -0.26 0.00 0.00 57.72 57.29 1p57 n HIS 245 Cb 0.40 -0.15 0.67 0.00 1.12 0.00 0.00 29.99 32.03 1p57 n HIS 245 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1p57 h SER 246 N 3.32 0.16 -0.57 0.41 0.02 -1.26 0.67 113.55 116.29 1p57 h SER 246 Ca 0.00 0.04 -0.32 0.00 -0.84 0.00 0.00 61.79 60.67 1p57 h SER 246 Cb 1.18 0.02 -0.19 0.00 0.14 0.00 0.00 62.40 63.55 1p57 h SER 246 CO 0.13 0.01 0.10 -0.62 -1.14 0.00 0.00 176.83 175.30 1p57 n GLU 247 N -4.35 2.10 -3.62 3.45 -0.58 -1.26 -5.01 120.64 111.37 1p57 n GLU 247 Ca 0.28 -3.23 -0.20 0.00 -0.42 0.00 0.00 57.16 53.58 1p57 n GLU 247 Cb 1.19 -1.96 -0.01 0.00 -0.57 0.00 0.00 31.44 30.09 1p57 n GLU 247 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1p57 s ALA 248 N -3.34 4.13 -0.03 0.62 0.00 0.22 -5.12 121.76 118.26 1p57 s ALA 248 Ca 0.49 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1p57 s ALA 248 Cb 0.43 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1p57 s ALA 248 CO 0.02 0.05 0.06 0.45 0.00 0.00 0.00 175.76 176.34 1p57 s SER 249 N -4.11 -0.02 0.00 0.00 0.15 -1.26 -4.49 113.70 103.97 1p57 s SER 249 Ca 0.42 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1p57 s SER 249 Cb -0.09 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1p57 s SER 249 CO 0.31 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1p57 n GLY 250 N 3.57 -0.84 3.66 9.45 0.00 -0.31 -4.92 105.19 115.80 1p57 n GLY 250 Ca -0.19 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.29 1p57 n GLY 250 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p57 s MET 251 N 0.00 4.11 0.21 1.61 -1.94 -1.26 -0.44 119.30 121.59 1p57 s MET 251 Ca 0.00 -0.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.94 1p57 s MET 251 Cb 0.00 -3.55 -0.05 0.00 2.01 0.00 0.00 34.83 33.24 1p57 s MET 251 CO 0.00 -0.01 0.07 0.54 -0.01 0.00 0.00 175.02 175.61 1p57 s VAL 252 N 1.24 0.48 0.13 -6.03 0.11 0.92 -4.95 120.40 112.30 1p57 s VAL 252 Ca 0.13 -1.99 0.07 0.00 -2.93 0.00 0.00 61.98 57.26 1p57 s VAL 252 Cb -0.14 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 1p57 s VAL 252 CO 0.06 -0.18 -0.16 0.42 -3.33 0.00 0.00 175.10 171.92 1p57 s THR 253 N -3.81 1.50 0.00 5.04 -4.23 -1.26 -0.83 115.64 112.04 1p57 s THR 253 Ca 0.33 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1p57 s THR 253 Cb 0.07 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1p57 s THR 253 CO 0.10 -0.35 0.00 1.67 -0.54 0.00 0.00 174.62 175.50