#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r56 s VAL 3 N 0.00 4.99 -0.10 0.00 1.01 -1.26 -4.91 120.40 120.12 1r56 s VAL 3 Ca 0.00 0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.53 1r56 s VAL 3 Cb 0.00 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 1r56 s VAL 3 CO 0.00 -0.22 0.44 0.29 0.00 0.00 0.00 175.10 175.62 1r56 n LYS 4 N 5.80 0.67 -3.68 2.72 4.76 -1.26 -4.97 118.16 122.20 1r56 n LYS 4 Ca -0.04 0.22 -0.14 0.00 -2.87 0.00 0.00 58.31 55.48 1r56 n LYS 4 Cb 0.49 -1.71 -0.08 0.00 -1.84 0.00 0.00 35.03 31.89 1r56 n LYS 4 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r56 s ALA 5 N -2.56 -1.18 -0.11 7.82 0.00 -1.26 -5.16 121.76 119.30 1r56 s ALA 5 Ca -0.10 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 1r56 s ALA 5 Cb 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1r56 s ALA 5 CO 0.80 -0.27 0.29 0.00 0.00 0.00 0.00 175.76 176.58 1r56 s ALA 6 N -0.68 -0.72 -0.08 0.00 0.00 -1.26 -5.16 121.76 113.86 1r56 s ALA 6 Ca -0.08 0.84 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 1r56 s ALA 6 Cb -0.03 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.64 1r56 s ALA 6 CO 0.04 -0.14 0.50 1.03 0.00 0.00 0.00 175.76 177.19 1r56 s ARG 7 N 0.20 0.78 -0.00 0.00 0.52 -1.26 -4.64 118.95 114.55 1r56 s ARG 7 Ca -0.00 0.23 -0.28 0.00 -0.52 0.00 0.00 55.73 55.16 1r56 s ARG 7 Cb -0.02 0.36 0.09 0.00 0.52 0.00 0.00 34.95 35.90 1r56 s ARG 7 CO -0.00 -0.20 0.77 1.52 0.02 0.00 0.00 175.30 177.41 1r56 s TYR 8 N -0.80 -0.49 -1.79 -0.53 1.13 -1.07 -4.94 117.35 108.86 1r56 s TYR 8 Ca -0.09 0.58 0.00 0.00 -1.41 0.00 0.00 57.07 56.15 1r56 s TYR 8 Cb -0.03 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 1r56 s TYR 8 CO 0.05 -0.60 0.00 0.41 -2.51 0.00 0.00 175.55 172.90 1r56 n GLY 9 N 0.23 -0.69 3.28 5.49 0.00 -1.26 -0.58 105.19 111.65 1r56 n GLY 9 Ca -0.14 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1r56 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r56 s LYS 10 N -0.72 3.24 0.24 1.61 2.47 -0.84 -4.87 119.74 120.86 1r56 s LYS 10 Ca 0.00 -0.75 0.08 0.00 -1.56 0.00 0.00 55.97 53.75 1r56 s LYS 10 Cb 0.00 -2.60 -0.04 0.00 -1.46 0.00 0.00 37.83 33.72 1r56 s LYS 10 CO 0.00 0.07 0.04 0.34 0.16 0.00 0.00 175.35 175.95 1r56 s ASP 11 N 0.69 4.80 -1.18 1.43 2.15 -1.26 -1.59 116.67 121.71 1r56 s ASP 11 Ca -0.07 -0.50 -0.07 0.00 0.43 0.00 0.00 52.55 52.33 1r56 s ASP 11 Cb -0.16 -1.00 0.01 0.00 -0.30 0.00 0.00 42.92 41.47 1r56 s ASP 11 CO 0.02 0.02 1.03 0.59 -0.17 0.00 0.00 175.17 176.66 1r56 n ASN 12 N -0.73 -5.62 -4.54 -0.34 3.02 -1.17 -4.96 115.26 100.92 1r56 n ASN 12 Ca -0.08 -0.48 -0.43 0.00 -0.03 0.00 0.00 54.58 53.57 1r56 n ASN 12 Cb 0.58 -4.47 -0.06 0.00 -0.61 0.00 0.00 39.78 35.21 1r56 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r56 s VAL 13 N -3.28 4.77 -0.05 2.41 1.01 -0.65 -4.85 120.40 119.76 1r56 s VAL 13 Ca 0.48 0.33 -0.23 0.00 0.00 0.00 0.00 61.98 62.57 1r56 s VAL 13 Cb -0.21 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1r56 s VAL 13 CO 0.64 -0.59 0.68 -0.13 0.00 0.00 0.00 175.10 175.70 1r56 s ARG 14 N 2.98 4.42 -0.02 2.72 0.52 -1.26 -0.21 118.95 128.10 1r56 s ARG 14 Ca 0.26 0.85 0.01 0.00 -0.52 0.00 0.00 55.73 56.33 1r56 s ARG 14 Cb -0.13 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 31.91 1r56 s ARG 14 CO 0.19 0.12 -0.04 0.08 0.02 0.00 0.00 175.30 175.68 1r56 s VAL 15 N 0.61 0.38 0.08 3.52 1.01 -0.24 -5.00 120.40 120.75 1r56 s VAL 15 Ca 0.36 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.28 1r56 s VAL 15 Cb -0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1r56 s VAL 15 CO 0.18 0.14 -0.23 -0.47 0.00 0.00 0.00 175.10 174.72 1r56 s TYR 16 N 0.27 1.96 -0.08 5.22 6.14 -1.26 -1.11 117.35 128.48 1r56 s TYR 16 Ca -0.03 -0.40 -0.08 0.00 0.64 0.00 0.00 57.07 57.21 1r56 s TYR 16 Cb -0.06 -1.11 0.02 0.00 0.42 0.00 0.00 41.96 41.22 1r56 s TYR 16 CO -0.00 0.19 0.23 0.21 0.64 0.00 0.00 175.55 176.81 1r56 s LYS 17 N -1.62 0.27 0.05 4.97 2.20 -0.17 -4.98 119.74 120.46 1r56 s LYS 17 Ca 0.09 0.31 0.08 0.00 -0.36 0.00 0.00 55.97 56.08 1r56 s LYS 17 Cb -0.10 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1r56 s LYS 17 CO 0.04 -0.03 -0.21 0.54 -0.36 0.00 0.00 175.35 175.32 1r56 s VAL 18 N 0.09 2.59 -0.14 4.02 0.11 -1.26 -0.74 120.40 125.06 1r56 s VAL 18 Ca -0.00 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 57.77 1r56 s VAL 18 Cb -0.02 -2.08 -0.00 0.00 -1.53 0.00 0.00 36.38 32.75 1r56 s VAL 18 CO 0.00 0.32 -0.16 -2.28 -3.33 0.00 0.00 175.10 169.65 1r56 s HIS 19 N -0.91 2.75 -0.13 1.54 2.46 0.99 -4.97 115.29 117.02 1r56 s HIS 19 Ca 0.14 -0.99 -0.00 0.00 0.47 0.00 0.00 55.06 54.67 1r56 s HIS 19 Cb -0.10 -1.85 -0.02 0.00 -0.13 0.00 0.00 32.58 30.48 1r56 s HIS 19 CO 0.05 -0.43 -0.13 0.15 -2.47 0.00 0.00 174.74 171.91 1r56 s LYS 20 N 0.67 3.40 -0.56 2.88 1.02 -1.26 -0.60 119.74 125.28 1r56 s LYS 20 Ca -0.08 -0.68 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 1r56 s LYS 20 Cb -0.16 -2.64 0.07 0.00 -0.52 0.00 0.00 37.83 34.58 1r56 s LYS 20 CO 0.02 0.22 0.78 0.34 -0.92 0.00 0.00 175.35 175.78 1r56 s ASP 21 N 0.35 6.23 0.22 2.83 2.15 -0.43 -4.92 116.67 123.10 1r56 s ASP 21 Ca -0.11 -0.91 -0.09 0.00 0.43 0.00 0.00 52.55 51.87 1r56 s ASP 21 Cb -0.16 -2.35 0.34 0.00 -0.30 0.00 0.00 42.92 40.45 1r56 s ASP 21 CO 0.06 -1.12 1.67 -0.33 -0.17 0.00 0.00 175.17 175.28 1r56 h GLU 22 N 9.21 0.16 0.31 4.34 5.08 -1.94 0.94 114.58 132.69 1r56 h GLU 22 Ca -0.28 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1r56 h GLU 22 Cb 1.08 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1r56 h GLU 22 CO 1.06 0.11 -0.18 1.57 -1.00 0.00 0.00 179.01 180.57 1r56 h LYS 23 N 0.17 -0.44 0.05 2.33 2.10 -1.98 -3.34 116.57 115.46 1r56 h LYS 23 Ca 0.35 0.03 -0.25 0.00 -2.00 0.00 0.00 60.65 58.78 1r56 h LYS 23 Cb 0.57 0.10 0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1r56 h LYS 23 CO -0.52 -0.29 -1.06 1.79 -2.00 0.00 0.00 179.45 177.37 1r56 h THR 24 N -0.46 1.42 0.00 0.07 1.35 -1.96 -3.47 112.91 109.85 1r56 h THR 24 Ca -0.04 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 1r56 h THR 24 Cb 0.36 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1r56 h THR 24 CO 0.05 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 1r56 n GLY 25 N 1.16 0.51 3.69 5.82 0.00 0.33 -5.04 105.19 111.66 1r56 n GLY 25 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1r56 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r56 s VAL 26 N -2.21 3.14 -0.01 1.61 1.01 -1.25 -4.71 120.40 117.98 1r56 s VAL 26 Ca 0.00 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1r56 s VAL 26 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1r56 s VAL 26 CO 0.00 0.00 0.01 -1.10 0.00 0.00 0.00 175.10 174.01 1r56 s GLN 27 N 2.49 2.82 -0.05 2.72 -0.21 0.42 -1.31 119.66 126.53 1r56 s GLN 27 Ca 0.72 -0.59 0.03 0.00 0.02 0.00 0.00 55.36 55.54 1r56 s GLN 27 Cb -0.38 -2.70 0.01 0.00 1.00 0.00 0.00 33.01 30.94 1r56 s GLN 27 CO 0.31 0.63 -0.13 0.99 -2.12 0.00 0.00 175.29 174.97 1r56 s THR 28 N -1.08 1.17 0.17 -0.19 2.01 0.23 -4.59 115.64 113.35 1r56 s THR 28 Ca 0.19 -0.53 0.09 0.00 0.31 0.00 0.00 61.69 61.76 1r56 s THR 28 Cb -0.12 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1r56 s THR 28 CO 0.10 0.35 -0.12 0.68 -0.69 0.00 0.00 174.62 174.94 1r56 s VAL 29 N 0.43 3.04 -0.01 3.82 -7.23 -1.26 -0.01 120.40 119.18 1r56 s VAL 29 Ca -0.10 -1.68 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1r56 s VAL 29 Cb -0.14 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1r56 s VAL 29 CO 0.03 -0.08 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.39 1r56 s TYR 30 N -1.62 0.47 0.00 2.82 2.02 0.08 -4.89 117.35 116.23 1r56 s TYR 30 Ca 0.23 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.85 1r56 s TYR 30 Cb -0.09 -0.36 -0.00 0.00 -0.40 0.00 0.00 41.96 41.11 1r56 s TYR 30 CO 0.14 -0.05 -0.02 -2.00 -1.57 0.00 0.00 175.55 172.05 1r56 s GLU 31 N 0.19 0.14 0.25 -0.62 2.12 -1.26 -1.00 118.70 118.51 1r56 s GLU 31 Ca -0.02 -0.12 -0.20 0.00 0.36 0.00 0.00 54.97 55.00 1r56 s GLU 31 Cb -0.05 -0.09 0.03 0.00 0.26 0.00 0.00 34.13 34.27 1r56 s GLU 31 CO -0.00 0.02 0.65 0.00 -0.54 0.00 0.00 175.26 175.39 1r56 s MET 32 N -0.19 1.62 -0.06 4.30 0.23 -0.27 -1.54 119.30 123.39 1r56 s MET 32 Ca -0.01 -0.92 0.05 0.00 -1.03 0.00 0.00 55.69 53.78 1r56 s MET 32 Cb -0.02 0.58 -0.00 0.00 -1.53 0.00 0.00 34.83 33.86 1r56 s MET 32 CO -0.00 -0.73 -0.21 0.99 -2.03 0.00 0.00 175.02 173.04 1r56 s THR 33 N -3.90 1.79 -0.02 3.16 2.01 -0.50 -1.08 115.64 117.10 1r56 s THR 33 Ca 0.10 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.26 1r56 s THR 33 Cb -0.04 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 1r56 s THR 33 CO 0.03 0.50 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 1r56 s VAL 34 N 0.09 1.53 -0.06 3.82 1.01 0.71 -1.38 120.40 126.12 1r56 s VAL 34 Ca -0.08 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1r56 s VAL 34 Cb -0.14 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1r56 s VAL 34 CO 0.05 0.43 -0.18 0.00 0.00 0.00 0.00 175.10 175.40 1r56 s VAL 36 N 0.20 1.17 -0.04 0.00 1.01 -0.62 -0.65 120.40 121.47 1r56 s VAL 36 Ca -0.09 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1r56 s VAL 36 Cb -0.14 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1r56 s VAL 36 CO 0.04 0.38 -0.19 -0.76 0.00 0.00 0.00 175.10 174.57 1r56 s LEU 37 N 1.25 2.43 -0.02 3.92 1.43 0.59 -1.99 118.68 126.29 1r56 s LEU 37 Ca -0.03 -0.32 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1r56 s LEU 37 Cb -0.14 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1r56 s LEU 37 CO -0.04 0.33 -0.23 -0.76 0.23 0.00 0.00 176.35 175.88 1r56 s LEU 38 N -0.63 2.23 0.14 1.79 1.43 0.25 0.19 118.68 124.07 1r56 s LEU 38 Ca 0.10 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 1r56 s LEU 38 Cb -0.11 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1r56 s LEU 38 CO 0.00 0.32 -0.16 -1.61 0.23 0.00 0.00 176.35 175.13 1r56 s GLU 39 N -0.72 1.15 0.00 1.70 2.02 -0.34 -2.59 118.70 119.91 1r56 s GLU 39 Ca 0.11 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1r56 s GLU 39 Cb -0.10 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 33.00 1r56 s GLU 39 CO -0.00 0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.91 1r56 n GLY 40 N 0.45 -0.59 3.55 -1.39 0.00 -1.26 -0.73 105.19 105.22 1r56 n GLY 40 Ca -0.15 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1r56 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r56 s GLU 41 N -1.28 3.83 0.00 1.61 2.02 0.17 -4.50 118.70 120.55 1r56 s GLU 41 Ca 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.24 1r56 s GLU 41 Cb 0.00 -5.36 0.00 0.00 0.10 0.00 0.00 34.13 28.87 1r56 s GLU 41 CO 0.00 -2.13 0.52 0.44 0.02 0.00 0.00 175.26 174.11 1r56 n ILE 42 N 6.25 0.19 -0.19 -1.63 -5.35 -1.26 -4.84 119.36 112.53 1r56 n ILE 42 Ca 0.39 -0.21 0.15 0.00 -0.27 0.00 0.00 62.75 62.82 1r56 n ILE 42 Cb 0.48 1.05 0.48 0.00 -1.74 0.00 0.00 39.64 39.90 1r56 n ILE 42 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1r56 h GLU 43 N 0.00 0.46 -0.49 6.28 3.07 -1.98 -1.95 114.58 119.97 1r56 h GLU 43 Ca 0.00 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.92 1r56 h GLU 43 Cb 0.79 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 1r56 h GLU 43 CO 0.00 0.30 0.33 1.79 -1.40 0.00 0.00 179.01 180.04 1r56 h THR 44 N 0.47 0.88 -0.34 1.13 1.35 -1.89 0.60 112.91 115.12 1r56 h THR 44 Ca 0.39 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 66.15 1r56 h THR 44 Cb 0.85 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 1r56 h THR 44 CO -0.14 0.05 0.13 0.77 -0.25 0.00 0.00 175.52 176.08 1r56 h SER 45 N 0.26 0.43 0.00 5.36 4.64 -1.34 0.21 113.55 123.12 1r56 h SER 45 Ca 0.23 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1r56 h SER 45 Cb 0.54 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1r56 h SER 45 CO -0.05 0.40 -0.08 1.88 -0.87 0.00 0.00 176.83 178.12 1r56 h TYR 46 N 0.48 0.00 -0.02 4.77 -1.99 -1.12 -3.17 116.97 115.92 1r56 h TYR 46 Ca 0.12 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.71 1r56 h TYR 46 Cb 0.11 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.85 1r56 h TYR 46 CO 0.00 0.91 -0.54 1.79 -0.00 0.00 0.00 178.16 180.33 1r56 h THR 47 N -1.00 1.43 -0.01 -2.88 1.35 -0.85 -3.38 112.91 107.56 1r56 h THR 47 Ca -0.02 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1r56 h THR 47 Cb 0.90 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 1r56 h THR 47 CO -0.01 0.58 -0.01 0.29 -0.25 0.00 0.00 175.52 176.12 1r56 n LYS 48 N -4.26 0.25 -3.38 4.72 4.76 0.62 -4.99 118.16 115.87 1r56 n LYS 48 Ca -0.10 -0.92 -0.19 0.00 -2.87 0.00 0.00 58.31 54.23 1r56 n LYS 48 Cb 0.63 -1.14 0.06 0.00 -1.84 0.00 0.00 35.03 32.75 1r56 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r56 n ALA 49 N 0.37 -1.08 -2.91 7.82 0.00 -0.48 -4.96 120.51 119.27 1r56 n ALA 49 Ca 0.04 0.32 -0.44 0.00 0.00 0.00 0.00 53.44 53.36 1r56 n ALA 49 Cb 0.19 -4.48 -0.05 0.00 0.00 0.00 0.00 19.45 15.10 1r56 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r56 s ASP 50 N -3.29 6.21 0.00 0.00 2.15 -0.81 -4.90 116.67 116.02 1r56 s ASP 50 Ca 0.46 -1.12 0.29 0.00 0.43 0.00 0.00 52.55 52.61 1r56 s ASP 50 Cb -0.20 -2.30 1.49 0.00 -0.30 0.00 0.00 42.92 41.61 1r56 s ASP 50 CO 0.59 -1.01 2.02 0.59 -0.17 0.00 0.00 175.17 177.19 1r56 n ASN 51 N 6.32 0.00 0.27 -0.34 3.02 -1.26 -3.32 115.26 119.95 1r56 n ASN 51 Ca -0.07 -0.17 0.15 0.00 -0.03 0.00 0.00 54.58 54.45 1r56 n ASN 51 Cb 0.44 -0.27 0.73 0.00 -0.61 0.00 0.00 39.78 40.07 1r56 n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1r56 h SER 52 N 0.00 0.00 0.60 6.41 4.64 -1.99 -1.68 113.55 121.53 1r56 h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r56 h SER 52 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1r56 h SER 52 CO 0.00 0.08 -0.52 1.33 -0.87 0.00 0.00 176.83 176.85 1r56 n VAL 53 N -3.31 0.08 -2.91 0.95 0.24 -1.25 -4.87 118.33 107.26 1r56 n VAL 53 Ca -0.01 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 1r56 n VAL 53 Cb 0.28 0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.73 1r56 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1r56 s ILE 54 N -3.04 4.71 -0.30 1.34 -1.09 -0.63 -4.95 121.20 117.24 1r56 s ILE 54 Ca 0.10 1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 59.29 1r56 s ILE 54 Cb 0.17 -4.22 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1r56 s ILE 54 CO 0.70 -0.40 1.20 -0.69 -1.23 0.00 0.00 174.94 174.52 1r56 s VAL 55 N 3.15 4.31 0.35 2.92 1.01 -1.26 -5.00 120.40 125.89 1r56 s VAL 55 Ca 0.33 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.53 1r56 s VAL 55 Cb -0.13 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 1r56 s VAL 55 CO 0.16 -0.45 1.41 0.00 0.00 0.00 0.00 175.10 176.22 1r56 n ALA 56 N 7.21 1.90 -0.26 5.51 0.00 -1.26 -4.85 120.51 128.76 1r56 n ALA 56 Ca 0.13 0.35 0.14 0.00 0.00 0.00 0.00 53.44 54.07 1r56 n ALA 56 Cb 0.47 -2.35 0.41 0.00 0.00 0.00 0.00 19.45 17.98 1r56 n ALA 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1r56 h THR 57 N 2.80 0.79 -0.90 0.00 1.35 -1.94 0.28 112.91 115.28 1r56 h THR 57 Ca -0.48 -0.21 0.05 0.00 -0.55 0.00 0.00 66.41 65.21 1r56 h THR 57 Cb 1.26 0.12 -0.06 0.00 -1.73 0.00 0.00 68.15 67.74 1r56 h THR 57 CO 0.64 0.11 0.58 -0.78 -0.25 0.00 0.00 175.52 175.82 1r56 h ASP 58 N 0.61 0.94 0.38 5.36 3.58 -1.95 -1.07 116.42 124.26 1r56 h ASP 58 Ca 0.46 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.81 1r56 h ASP 58 Cb 0.85 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1r56 h ASP 58 CO -0.21 0.62 -0.43 0.28 -2.88 0.00 0.00 179.24 176.63 1r56 h SER 59 N 1.09 0.08 -0.61 2.28 0.02 -0.83 -2.10 113.55 113.48 1r56 h SER 59 Ca 0.38 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.21 1r56 h SER 59 Cb 0.08 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1r56 h SER 59 CO -0.14 0.50 0.06 0.40 -1.14 0.00 0.00 176.83 176.50 1r56 h ILE 60 N 0.06 1.26 0.11 3.27 2.04 -0.60 -2.11 117.51 121.55 1r56 h ILE 60 Ca 0.00 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1r56 h ILE 60 Cb 0.79 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1r56 h ILE 60 CO 0.06 0.39 -0.16 0.50 0.00 0.00 0.00 178.15 178.94 1r56 h LYS 61 N 0.94 -0.31 -0.93 2.37 3.64 -0.73 -2.30 116.57 119.26 1r56 h LYS 61 Ca 0.18 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.67 1r56 h LYS 61 Cb 0.49 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.31 1r56 h LYS 61 CO 0.02 -0.21 0.60 -0.91 -2.27 0.00 0.00 179.45 176.68 1r56 h ASN 62 N -0.33 0.88 -0.81 4.20 2.35 -1.31 -2.10 115.58 118.46 1r56 h ASN 62 Ca 0.02 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1r56 h ASN 62 Cb 0.34 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1r56 h ASN 62 CO -0.08 0.53 0.43 0.74 -1.65 0.00 0.00 177.43 177.39 1r56 h THR 63 N 0.98 1.25 -0.01 2.81 2.02 -1.03 0.85 112.91 119.77 1r56 h THR 63 Ca 0.43 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1r56 h THR 63 Cb 0.35 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1r56 h THR 63 CO -0.18 0.28 -0.12 0.40 0.37 0.00 0.00 175.52 176.27 1r56 h ILE 64 N 1.16 0.70 -0.30 3.11 2.04 -0.83 0.24 117.51 123.63 1r56 h ILE 64 Ca 0.29 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.17 1r56 h ILE 64 Cb 0.06 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1r56 h ILE 64 CO -0.04 0.00 0.15 1.88 0.00 0.00 0.00 178.15 180.13 1r56 h TYR 65 N -0.19 0.27 -0.81 1.37 0.05 -1.28 0.75 116.97 117.13 1r56 h TYR 65 Ca 0.05 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1r56 h TYR 65 Cb 0.25 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.88 1r56 h TYR 65 CO -0.18 0.15 0.45 0.82 -1.05 0.00 0.00 178.16 178.35 1r56 h ILE 66 N 0.31 1.24 -0.22 -2.88 2.04 -0.56 -1.45 117.51 115.99 1r56 h ILE 66 Ca 0.12 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.28 1r56 h ILE 66 Cb 0.04 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1r56 h ILE 66 CO -0.09 0.26 -0.39 0.74 0.00 0.00 0.00 178.15 178.67 1r56 h THR 67 N 1.12 1.30 -0.42 -0.27 2.02 -0.12 -2.17 112.91 114.36 1r56 h THR 67 Ca 0.28 -1.54 -0.08 0.00 0.77 0.00 0.00 66.41 65.84 1r56 h THR 67 Cb 0.02 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1r56 h THR 67 CO -0.05 0.48 -0.08 0.00 0.37 0.00 0.00 175.52 176.24 1r56 h ALA 68 N 1.17 1.06 -0.40 6.16 0.00 -0.57 -1.58 119.26 125.10 1r56 h ALA 68 Ca 0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1r56 h ALA 68 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1r56 h ALA 68 CO 0.07 0.58 -0.22 -0.22 0.00 0.00 0.00 179.25 179.46 1r56 h LYS 69 N 0.68 0.79 -0.01 0.00 1.63 -0.92 -3.30 116.57 115.44 1r56 h LYS 69 Ca 0.12 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1r56 h LYS 69 Cb 0.53 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1r56 h LYS 69 CO 0.03 0.94 -0.36 1.04 -3.45 0.00 0.00 179.45 177.65 1r56 n GLN 70 N -4.11 0.88 -4.15 1.90 6.02 -0.85 -4.96 117.38 112.10 1r56 n GLN 70 Ca 0.00 -0.60 -0.10 0.00 -0.01 0.00 0.00 57.00 56.29 1r56 n GLN 70 Cb 0.44 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.11 1r56 n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1r56 s ASN 71 N -2.54 0.51 0.46 1.08 0.01 -0.61 -5.07 114.94 108.78 1r56 s ASN 71 Ca 0.21 -1.16 -0.24 0.00 -0.71 0.00 0.00 52.86 50.97 1r56 s ASN 71 Cb 0.19 0.25 -0.07 0.00 0.41 0.00 0.00 41.25 42.02 1r56 s ASN 71 CO 0.56 -0.67 1.24 -2.84 -1.51 0.00 0.00 177.10 173.87 1r56 s PRO 72 N -4.00 3.68 0.00 -0.60 0.02 -1.26 -4.74 135.00 128.10 1r56 s PRO 72 Ca 0.21 1.97 0.17 0.00 0.02 0.00 0.00 61.00 63.38 1r56 s PRO 72 Cb 0.07 -2.47 0.06 0.00 0.02 0.00 0.00 34.50 32.18 1r56 s PRO 72 CO -0.00 -0.67 0.96 1.33 -0.33 0.00 0.00 177.00 178.29 1r56 n VAL 73 N -0.43 0.00 -4.37 3.83 0.24 -1.26 -4.53 118.33 111.81 1r56 n VAL 73 Ca 0.07 -0.40 -0.19 0.00 -2.04 0.00 0.00 64.34 61.78 1r56 n VAL 73 Cb 0.46 1.27 -0.14 0.00 -1.47 0.00 0.00 33.84 33.97 1r56 n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1r56 s THR 74 N -1.75 0.85 0.68 3.34 -1.32 -1.26 -3.90 115.64 112.28 1r56 s THR 74 Ca 0.17 -0.63 -0.14 0.00 -1.21 0.00 0.00 61.69 59.88 1r56 s THR 74 Cb 0.14 -0.75 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 1r56 s THR 74 CO 0.34 0.12 1.11 -2.16 -2.21 0.00 0.00 174.62 171.82 1r56 s PRO 75 N -0.58 2.66 0.52 7.08 0.04 -1.26 -4.89 135.00 138.57 1r56 s PRO 75 Ca 0.02 1.39 0.17 0.00 0.04 0.00 0.00 61.00 62.62 1r56 s PRO 75 Cb -0.05 -1.93 1.29 0.00 0.04 0.00 0.00 34.50 33.85 1r56 s PRO 75 CO 0.00 -1.36 2.14 -1.00 0.04 0.00 0.00 177.00 176.82 1r56 h PRO 76 N -0.17 0.00 -0.91 0.56 0.13 -1.98 -1.14 132.00 128.48 1r56 h PRO 76 Ca -0.46 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1r56 h PRO 76 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1r56 h PRO 76 CO 0.53 0.02 0.60 0.93 -0.23 0.00 0.00 178.00 179.85 1r56 h GLU 77 N 0.00 1.05 0.28 0.86 3.07 -1.95 -0.08 114.58 117.82 1r56 h GLU 77 Ca -0.00 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1r56 h GLU 77 Cb 0.04 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.72 1r56 h GLU 77 CO 0.00 0.70 -0.14 1.25 -1.40 0.00 0.00 179.01 179.42 1r56 h LEU 78 N 1.09 -0.32 -0.50 1.33 5.85 -1.58 -2.73 115.31 118.45 1r56 h LEU 78 Ca 0.38 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.00 1r56 h LEU 78 Cb 0.12 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1r56 h LEU 78 CO -0.13 -0.05 0.27 0.15 -0.34 0.00 0.00 178.44 178.34 1r56 h PHE 79 N -0.60 0.50 -0.08 1.25 3.57 -1.30 0.13 116.94 120.41 1r56 h PHE 79 Ca -0.04 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1r56 h PHE 79 Cb 0.43 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1r56 h PHE 79 CO -0.00 0.27 -0.36 0.78 -2.23 0.00 0.00 178.31 176.76 1r56 h GLY 80 N 0.54 0.18 0.63 2.40 0.00 -1.06 -0.87 103.07 104.88 1r56 h GLY 80 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1r56 h GLY 80 CO -0.13 0.14 -0.06 1.76 0.00 0.00 0.00 176.54 178.25 1r56 h SER 81 N 0.14 0.17 -0.96 0.19 0.02 -1.04 -0.21 113.55 111.88 1r56 h SER 81 Ca 0.02 -0.48 0.09 0.00 -0.84 0.00 0.00 61.79 60.58 1r56 h SER 81 Cb 0.71 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.13 1r56 h SER 81 CO 0.05 0.61 0.60 0.40 -1.14 0.00 0.00 176.83 177.35 1r56 h ILE 82 N -0.26 0.98 -0.03 3.27 2.04 -0.61 -1.27 117.51 121.63 1r56 h ILE 82 Ca 0.01 -0.35 -0.26 0.00 1.00 0.00 0.00 64.86 65.27 1r56 h ILE 82 Cb 0.56 -0.12 0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1r56 h ILE 82 CO 0.02 0.18 -1.00 0.25 0.00 0.00 0.00 178.15 177.60 1r56 h LEU 83 N 1.01 0.92 -0.28 1.44 5.85 -1.05 -2.60 115.31 120.60 1r56 h LEU 83 Ca 0.45 -0.72 -0.20 0.00 0.84 0.00 0.00 57.88 58.25 1r56 h LEU 83 Cb 0.34 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1r56 h LEU 83 CO -0.23 1.52 -0.86 1.23 -0.34 0.00 0.00 178.44 179.76 1r56 h GLY 84 N 0.44 0.35 1.00 3.75 0.00 -0.89 -3.12 103.07 104.60 1r56 h GLY 84 Ca -0.12 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 1r56 h GLY 84 CO 0.20 0.52 0.32 -0.84 0.00 0.00 0.00 176.54 176.74 1r56 h THR 85 N 0.19 1.22 -0.59 4.70 2.02 -1.26 -2.98 112.91 116.20 1r56 h THR 85 Ca -0.05 -0.63 0.12 0.00 0.77 0.00 0.00 66.41 66.62 1r56 h THR 85 Cb 1.48 0.42 -0.10 0.00 -1.74 0.00 0.00 68.15 68.21 1r56 h THR 85 CO 0.14 0.26 0.02 -0.74 0.37 0.00 0.00 175.52 175.57 1r56 h HIS 86 N 0.91 -0.00 -0.57 3.16 6.17 -1.40 -0.94 115.15 122.48 1r56 h HIS 86 Ca 0.23 0.04 -0.05 0.00 0.71 0.00 0.00 60.37 61.30 1r56 h HIS 86 Cb 0.12 0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.12 1r56 h HIS 86 CO 0.00 -0.14 0.17 0.74 0.71 0.00 0.00 177.93 179.42 1r56 h PHE 87 N 0.14 0.93 0.00 5.26 0.04 -1.53 -1.21 116.94 120.56 1r56 h PHE 87 Ca 0.31 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.93 1r56 h PHE 87 Cb 0.49 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1r56 h PHE 87 CO -0.34 0.78 -0.36 -0.84 -0.60 0.00 0.00 178.31 176.95 1r56 h ILE 88 N 0.81 0.37 0.00 -0.55 3.07 -1.43 -2.68 117.51 117.10 1r56 h ILE 88 Ca 0.18 -1.54 0.00 0.00 1.55 0.00 0.00 64.86 65.05 1r56 h ILE 88 Cb 0.30 2.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1r56 h ILE 88 CO -0.00 0.21 -0.27 -0.62 -1.05 0.00 0.00 178.15 176.42 1r56 n GLU 89 N -3.10 0.03 -0.03 0.16 1.02 -0.39 -4.19 120.64 114.14 1r56 n GLU 89 Ca 0.02 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.17 1r56 n GLU 89 Cb 0.63 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 1r56 n GLU 89 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1r56 n LYS 90 N -1.57 1.51 -4.03 3.49 3.00 -0.47 -4.91 118.16 115.18 1r56 n LYS 90 Ca 0.06 -0.04 -0.34 0.00 -0.00 0.00 0.00 58.31 57.99 1r56 n LYS 90 Cb 0.35 -1.26 -0.15 0.00 0.00 0.00 0.00 35.03 33.97 1r56 n LYS 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1r56 s TYR 91 N -2.46 2.99 0.26 5.64 2.02 -1.02 -5.01 117.35 119.77 1r56 s TYR 91 Ca -0.05 -1.66 -0.03 0.00 -0.37 0.00 0.00 57.07 54.97 1r56 s TYR 91 Cb 0.05 -1.99 0.33 0.00 -0.40 0.00 0.00 41.96 39.94 1r56 s TYR 91 CO 0.43 -0.77 1.78 -0.91 -1.57 0.00 0.00 175.55 174.52 1r56 h ASN 92 N 7.96 0.81 0.05 2.29 2.35 -1.87 -2.56 115.58 124.60 1r56 h ASN 92 Ca -0.36 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1r56 h ASN 92 Cb 1.11 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1r56 h ASN 92 CO 0.58 0.83 -0.02 0.00 -1.65 0.00 0.00 177.43 177.17 1r56 n HIS 93 N -4.24 0.00 -3.31 1.19 1.44 -1.26 -4.75 115.22 104.29 1r56 n HIS 93 Ca 0.03 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.34 1r56 n HIS 93 Cb 0.26 -0.03 -0.08 0.00 0.12 0.00 0.00 29.99 30.26 1r56 n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1r56 s ILE 94 N -2.07 5.08 -0.06 0.61 -1.09 -0.96 -0.65 121.20 122.06 1r56 s ILE 94 Ca 0.41 0.27 0.21 0.00 -2.23 0.00 0.00 60.65 59.31 1r56 s ILE 94 Cb 0.21 -3.89 -0.33 0.00 -1.58 0.00 0.00 42.46 36.87 1r56 s ILE 94 CO 0.37 -0.13 0.48 1.41 -1.23 0.00 0.00 174.94 175.84 1r56 n HIS 95 N 5.58 0.00 -3.78 3.97 8.25 0.09 -4.56 115.22 124.77 1r56 n HIS 95 Ca -0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.27 1r56 n HIS 95 Cb 0.49 -0.47 -0.11 0.00 1.12 0.00 0.00 29.99 31.02 1r56 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r56 s ALA 96 N -3.47 -0.71 -0.11 -1.41 0.00 -0.84 -0.77 121.76 114.44 1r56 s ALA 96 Ca -0.07 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1r56 s ALA 96 Cb 0.14 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1r56 s ALA 96 CO 0.89 -0.16 -0.18 0.00 0.00 0.00 0.00 175.76 176.31 1r56 s ALA 97 N -0.17 1.83 -0.34 0.00 0.00 0.42 -1.20 121.76 122.30 1r56 s ALA 97 Ca -0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 1r56 s ALA 97 Cb -0.03 -0.84 0.05 0.00 0.00 0.00 0.00 23.12 22.30 1r56 s ALA 97 CO 0.01 0.00 0.09 -1.01 0.00 0.00 0.00 175.76 174.85 1r56 s HIS 98 N 0.83 3.27 -0.24 0.00 3.76 0.13 -0.99 115.29 122.05 1r56 s HIS 98 Ca -0.09 -1.56 -0.05 0.00 -0.15 0.00 0.00 55.06 53.21 1r56 s HIS 98 Cb -0.16 -2.29 -0.01 0.00 1.11 0.00 0.00 32.58 31.23 1r56 s HIS 98 CO 0.00 -0.76 0.00 0.08 -0.85 0.00 0.00 174.74 173.22 1r56 s VAL 99 N 1.36 3.73 -0.16 -0.90 1.01 0.76 -0.30 120.40 125.90 1r56 s VAL 99 Ca -0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1r56 s VAL 99 Cb -0.20 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1r56 s VAL 99 CO 0.02 0.37 -0.08 0.21 0.00 0.00 0.00 175.10 175.62 1r56 s ASN 100 N 1.53 4.30 -0.03 3.32 2.47 0.18 -0.52 114.94 126.18 1r56 s ASN 100 Ca 0.06 -0.30 0.04 0.00 0.42 0.00 0.00 52.86 53.08 1r56 s ASN 100 Cb -0.15 -1.69 -0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1r56 s ASN 100 CO -0.01 0.11 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.71 1r56 s ILE 101 N 0.69 1.20 -0.20 -5.21 1.01 -0.36 -0.95 121.20 117.38 1r56 s ILE 101 Ca -0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 1r56 s ILE 101 Cb -0.15 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1r56 s ILE 101 CO 0.02 0.35 -0.13 -0.69 0.00 0.00 0.00 174.94 174.49 1r56 s VAL 102 N -0.01 2.65 -0.17 2.92 1.01 -0.48 -1.47 120.40 124.85 1r56 s VAL 102 Ca -0.01 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 1r56 s VAL 102 Cb -0.09 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1r56 s VAL 102 CO 0.01 0.49 0.35 0.00 0.00 0.00 0.00 175.10 175.95 1r56 s HIS 104 N 0.77 3.58 -0.09 0.00 3.76 -0.59 -2.70 115.29 120.02 1r56 s HIS 104 Ca 0.18 0.63 -0.27 0.00 -0.15 0.00 0.00 55.06 55.45 1r56 s HIS 104 Cb -0.14 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 1r56 s HIS 104 CO 0.06 0.59 0.88 1.03 -0.85 0.00 0.00 174.74 176.46 1r56 s ARG 105 N -1.77 4.42 -0.42 1.40 0.52 -1.26 -4.55 118.95 117.29 1r56 s ARG 105 Ca 0.29 1.18 0.02 0.00 -0.52 0.00 0.00 55.73 56.70 1r56 s ARG 105 Cb -0.13 -3.51 0.12 0.00 0.52 0.00 0.00 34.95 31.94 1r56 s ARG 105 CO 0.16 -0.18 0.18 -1.58 0.02 0.00 0.00 175.30 173.90 1r56 s TRP 106 N 1.58 2.60 -0.04 -0.53 0.23 -1.26 -4.37 118.94 117.15 1r56 s TRP 106 Ca 0.44 -2.61 -0.18 0.00 -2.03 0.00 0.00 56.10 51.71 1r56 s TRP 106 Cb -0.18 -2.31 -0.05 0.00 0.03 0.00 0.00 33.47 30.96 1r56 s TRP 106 CO 0.18 -0.82 0.50 0.99 0.96 0.00 0.00 176.95 178.76 1r56 s THR 107 N 0.52 5.02 0.30 2.01 2.01 -0.03 -4.81 115.64 120.67 1r56 s THR 107 Ca 0.15 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.87 1r56 s THR 107 Cb -0.23 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.34 1r56 s THR 107 CO -0.06 0.44 1.60 -0.60 -0.69 0.00 0.00 174.62 175.32 1r56 s ARG 108 N -0.23 4.11 0.27 4.92 3.52 -1.26 0.07 118.95 130.34 1r56 s ARG 108 Ca 0.27 2.60 -0.29 0.00 -0.13 0.00 0.00 55.73 58.18 1r56 s ARG 108 Cb -0.17 -3.02 -0.09 0.00 -1.56 0.00 0.00 34.95 30.11 1r56 s ARG 108 CO 0.14 -0.65 0.98 -1.64 -0.81 0.00 0.00 175.30 173.32 1r56 s MET 109 N -0.55 4.74 -0.33 5.12 -1.94 -0.55 -4.81 119.30 120.98 1r56 s MET 109 Ca 0.63 1.54 -0.12 0.00 -1.71 0.00 0.00 55.69 56.02 1r56 s MET 109 Cb -0.48 -3.16 -0.02 0.00 2.01 0.00 0.00 34.83 33.18 1r56 s MET 109 CO 0.49 0.39 0.23 -0.51 -0.01 0.00 0.00 175.02 175.61 1r56 s ASP 110 N -1.19 6.00 -0.20 3.03 1.01 -1.26 0.25 116.67 124.30 1r56 s ASP 110 Ca 0.44 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 53.25 1r56 s ASP 110 Cb -0.26 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1r56 s ASP 110 CO 0.33 -0.23 -0.10 -0.63 0.21 0.00 0.00 175.17 174.75 1r56 s ILE 111 N 1.71 2.90 -1.36 0.77 -1.09 0.14 -4.61 121.20 119.66 1r56 s ILE 111 Ca 0.06 -0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 57.77 1r56 s ILE 111 Cb -0.17 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 38.42 1r56 s ILE 111 CO 0.10 0.47 0.77 0.47 -1.23 0.00 0.00 174.94 175.51 1r56 n ASP 112 N 4.68 -5.89 0.00 3.58 8.00 -1.26 -1.90 116.55 123.76 1r56 n ASP 112 Ca -0.19 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1r56 n ASP 112 Cb 0.51 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 36.97 1r56 n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r56 n GLY 113 N -1.63 2.06 3.46 0.44 0.00 -1.26 -5.02 105.19 103.23 1r56 n GLY 113 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1r56 n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r56 s LYS 114 N -0.19 1.65 0.05 1.61 0.00 -0.80 -5.06 119.74 117.01 1r56 s LYS 114 Ca 0.00 -1.26 -0.31 0.00 0.00 0.00 0.00 55.97 54.40 1r56 s LYS 114 Cb 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 37.83 35.74 1r56 s LYS 114 CO 0.00 0.46 1.38 -1.25 0.00 0.00 0.00 175.35 175.95 1r56 s PRO 115 N -2.18 4.31 0.25 1.78 0.04 -1.26 0.23 135.00 138.17 1r56 s PRO 115 Ca 0.17 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1r56 s PRO 115 Cb -0.10 -3.42 -0.09 0.00 0.04 0.00 0.00 34.50 30.93 1r56 s PRO 115 CO 0.09 -0.49 1.04 -1.58 0.04 0.00 0.00 177.00 176.10 1r56 s HIS 116 N 1.75 3.73 0.03 0.56 2.46 0.14 -4.88 115.29 119.08 1r56 s HIS 116 Ca 0.64 1.77 0.33 0.00 0.47 0.00 0.00 55.06 58.26 1r56 s HIS 116 Cb -0.34 -3.17 1.36 0.00 -0.13 0.00 0.00 32.58 30.30 1r56 s HIS 116 CO 0.28 -0.19 1.96 -1.00 -2.47 0.00 0.00 174.74 173.32 1r56 h PRO 117 N 4.11 0.00 0.00 2.88 0.13 -1.93 -3.39 132.00 133.81 1r56 h PRO 117 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1r56 h PRO 117 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1r56 h PRO 117 CO 0.68 0.00 -0.20 -2.39 -0.23 0.00 0.00 178.00 175.86 1r56 n HIS 118 N -2.95 0.00 -5.26 1.56 1.44 -1.26 -0.44 115.22 108.31 1r56 n HIS 118 Ca 0.01 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 1r56 n HIS 118 Cb 0.28 0.12 -0.16 0.00 0.12 0.00 0.00 29.99 30.36 1r56 n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1r56 s SER 119 N -0.40 3.16 0.09 4.39 0.01 -1.26 -5.02 113.70 114.66 1r56 s SER 119 Ca 0.00 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.83 1r56 s SER 119 Cb 0.00 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 1r56 s SER 119 CO 0.00 0.32 -0.06 -0.36 0.41 0.00 0.00 173.24 173.55 1r56 s PHE 120 N -0.62 0.84 0.05 2.43 0.40 -1.26 -1.48 117.98 118.34 1r56 s PHE 120 Ca 0.10 -0.92 0.04 0.00 -0.60 0.00 0.00 56.93 55.55 1r56 s PHE 120 Cb -0.10 -0.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 1r56 s PHE 120 CO -0.01 -0.17 -0.12 -1.50 0.70 0.00 0.00 175.22 174.12 1r56 s ILE 121 N -3.58 0.92 -0.91 0.64 2.07 0.11 -4.87 121.20 115.58 1r56 s ILE 121 Ca 0.10 -1.08 -0.21 0.00 -1.41 0.00 0.00 60.65 58.05 1r56 s ILE 121 Cb 0.05 -0.88 0.09 0.00 0.13 0.00 0.00 42.46 41.84 1r56 s ILE 121 CO -0.05 -0.17 1.23 -0.60 -1.91 0.00 0.00 174.94 173.44 1r56 s ARG 122 N -1.40 3.50 0.00 3.50 6.06 -1.26 -0.85 118.95 128.50 1r56 s ARG 122 Ca -0.03 -1.29 0.29 0.00 -2.50 0.00 0.00 55.73 52.21 1r56 s ARG 122 Cb -0.09 -4.92 1.20 0.00 0.06 0.00 0.00 34.95 31.20 1r56 s ARG 122 CO 0.01 -1.96 1.86 -0.40 -2.50 0.00 0.00 175.30 172.31 1r56 n ASP 123 N 7.77 0.26 -3.50 -2.12 5.75 -1.26 -4.88 116.55 118.56 1r56 n ASP 123 Ca 0.22 -0.18 -0.09 0.00 -0.01 0.00 0.00 54.79 54.72 1r56 n ASP 123 Cb 0.49 -0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.38 1r56 n ASP 123 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1r56 s SER 124 N -2.69 -0.41 0.00 -1.12 0.15 -1.26 -5.02 113.70 103.36 1r56 s SER 124 Ca 0.23 -0.04 0.22 0.00 0.70 0.00 0.00 55.95 57.06 1r56 s SER 124 Cb 0.20 0.46 0.76 0.00 -1.71 0.00 0.00 66.02 65.72 1r56 s SER 124 CO 0.51 -0.76 1.56 1.21 1.20 0.00 0.00 173.24 176.96 1r56 n GLU 125 N -0.30 1.78 -1.84 5.44 4.07 -1.26 -4.56 120.64 123.97 1r56 n GLU 125 Ca -0.11 -1.17 -0.41 0.00 -0.06 0.00 0.00 57.16 55.41 1r56 n GLU 125 Cb 0.63 -1.41 -0.02 0.00 -0.06 0.00 0.00 31.44 30.58 1r56 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1r56 s GLU 126 N -1.80 4.16 0.22 5.31 2.12 -1.25 -4.77 118.70 122.69 1r56 s GLU 126 Ca 0.33 2.51 0.11 0.00 0.36 0.00 0.00 54.97 58.28 1r56 s GLU 126 Cb 0.18 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 1r56 s GLU 126 CO 0.27 -0.56 -0.17 0.15 -0.54 0.00 0.00 175.26 174.42 1r56 s LYS 127 N -0.72 1.79 -0.15 4.30 -0.14 -0.06 -4.37 119.74 120.38 1r56 s LYS 127 Ca 0.61 -1.51 0.01 0.00 -1.36 0.00 0.00 55.97 53.71 1r56 s LYS 127 Cb -0.46 -1.94 -0.00 0.00 -1.68 0.00 0.00 37.83 33.75 1r56 s LYS 127 CO 0.49 0.39 -0.16 0.50 -0.76 0.00 0.00 175.35 175.81 1r56 s ARG 128 N -3.05 3.20 0.30 1.68 3.52 -1.10 -1.82 118.95 121.68 1r56 s ARG 128 Ca 0.25 -0.76 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1r56 s ARG 128 Cb -0.07 -2.59 -0.06 0.00 -1.56 0.00 0.00 34.95 30.66 1r56 s ARG 128 CO 0.14 0.03 -0.01 -0.80 -0.81 0.00 0.00 175.30 173.85 1r56 s ASN 129 N 0.77 2.64 -0.02 -2.12 -0.87 0.34 -0.02 114.94 115.65 1r56 s ASN 129 Ca -0.06 -1.28 -0.11 0.00 -1.57 0.00 0.00 52.86 49.84 1r56 s ASN 129 Cb -0.15 -0.14 0.02 0.00 -0.02 0.00 0.00 41.25 40.95 1r56 s ASN 129 CO 0.00 -0.46 0.25 0.68 -2.57 0.00 0.00 177.10 175.00 1r56 s VAL 130 N -3.12 0.06 -0.17 1.60 -7.23 -0.54 -1.12 120.40 109.88 1r56 s VAL 130 Ca 0.32 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1r56 s VAL 130 Cb 0.06 -0.51 0.03 0.00 0.56 0.00 0.00 36.38 36.52 1r56 s VAL 130 CO 0.13 -0.26 -0.12 -1.58 -0.31 0.00 0.00 175.10 172.97 1r56 s GLN 131 N -1.10 2.13 -0.18 4.82 0.74 0.69 -1.22 119.66 125.55 1r56 s GLN 131 Ca -0.12 -0.66 -0.00 0.00 0.05 0.00 0.00 55.36 54.64 1r56 s GLN 131 Cb -0.05 -2.20 0.00 0.00 1.10 0.00 0.00 33.01 31.86 1r56 s GLN 131 CO 0.03 -0.32 -0.15 0.08 -0.55 0.00 0.00 175.29 174.38 1r56 s VAL 132 N 1.47 2.60 -0.24 1.34 1.01 0.32 -1.08 120.40 125.81 1r56 s VAL 132 Ca 0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1r56 s VAL 132 Cb -0.14 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1r56 s VAL 132 CO -0.10 0.50 -0.05 -1.81 0.00 0.00 0.00 175.10 173.65 1r56 s ASP 133 N 1.11 4.32 -0.33 3.32 1.01 -0.02 -0.17 116.67 125.91 1r56 s ASP 133 Ca 0.00 -0.69 -0.06 0.00 0.71 0.00 0.00 52.55 52.52 1r56 s ASP 133 Cb -0.14 -1.70 0.04 0.00 1.01 0.00 0.00 42.92 42.13 1r56 s ASP 133 CO -0.05 -0.09 0.09 -0.69 0.21 0.00 0.00 175.17 174.63 1r56 s VAL 134 N 1.39 3.66 -0.14 -1.27 1.01 -0.16 -0.58 120.40 124.31 1r56 s VAL 134 Ca 0.03 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1r56 s VAL 134 Cb -0.16 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1r56 s VAL 134 CO -0.04 -0.16 -0.20 -0.69 0.00 0.00 0.00 175.10 174.01 1r56 s VAL 135 N 1.38 2.24 -0.13 2.92 1.01 -1.00 -0.44 120.40 126.39 1r56 s VAL 135 Ca -0.02 -0.92 -0.38 0.00 0.00 0.00 0.00 61.98 60.66 1r56 s VAL 135 Cb -0.19 -1.91 -0.15 0.00 0.00 0.00 0.00 36.38 34.13 1r56 s VAL 135 CO 0.02 0.54 1.65 1.21 0.00 0.00 0.00 175.10 178.52 1r56 n GLU 136 N 4.03 1.37 -0.12 2.72 2.13 0.05 -1.37 120.64 129.45 1r56 n GLU 136 Ca -0.20 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.13 1r56 n GLU 136 Cb 0.52 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.02 1r56 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r56 n GLY 137 N 3.74 2.69 0.09 8.31 0.00 -1.26 -4.79 105.19 113.97 1r56 n GLY 137 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1r56 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r56 n LYS 138 N -2.00 2.40 0.00 1.61 5.02 -0.47 -5.12 118.16 119.60 1r56 n LYS 138 Ca 0.00 -1.95 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 1r56 n LYS 138 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1r56 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r56 n GLY 139 N -0.76 0.72 3.17 0.72 0.00 -1.14 -4.78 105.19 103.11 1r56 n GLY 139 Ca 0.07 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1r56 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r56 s ILE 140 N 0.00 2.61 -0.22 -0.61 1.01 0.11 -2.36 121.20 121.74 1r56 s ILE 140 Ca 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.51 1r56 s ILE 140 Cb 0.00 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1r56 s ILE 140 CO 0.00 0.30 0.30 -1.81 0.00 0.00 0.00 174.94 173.73 1r56 s ASP 141 N 1.31 6.28 -0.16 3.58 1.01 0.25 -1.69 116.67 127.25 1r56 s ASP 141 Ca 0.01 0.32 0.01 0.00 0.71 0.00 0.00 52.55 53.60 1r56 s ASP 141 Cb -0.16 -2.18 0.02 0.00 1.01 0.00 0.00 42.92 41.62 1r56 s ASP 141 CO -0.07 -0.03 -0.19 -0.63 0.21 0.00 0.00 175.17 174.47 1r56 s ILE 142 N 1.29 1.90 -0.21 0.77 1.01 -1.26 -0.84 121.20 123.85 1r56 s ILE 142 Ca 0.14 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 1r56 s ILE 142 Cb -0.14 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1r56 s ILE 142 CO 0.07 0.51 0.01 -0.54 0.00 0.00 0.00 174.94 174.99 1r56 s LYS 143 N 1.21 3.61 -0.00 2.79 1.02 -0.24 -1.45 119.74 126.67 1r56 s LYS 143 Ca 0.01 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1r56 s LYS 143 Cb -0.14 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1r56 s LYS 143 CO -0.09 -0.05 0.07 -1.12 -0.92 0.00 0.00 175.35 173.24 1r56 s SER 144 N 1.16 5.58 0.14 2.83 0.01 -0.55 -0.22 113.70 122.65 1r56 s SER 144 Ca 0.03 0.11 -0.13 0.00 1.31 0.00 0.00 55.95 57.27 1r56 s SER 144 Cb -0.14 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.53 1r56 s SER 144 CO 0.02 0.27 0.36 -0.94 0.41 0.00 0.00 173.24 173.36 1r56 s SER 145 N -1.73 -0.11 0.02 2.44 1.04 -0.27 -0.96 113.70 114.12 1r56 s SER 145 Ca 0.22 -0.53 0.08 0.00 0.48 0.00 0.00 55.95 56.21 1r56 s SER 145 Cb -0.12 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1r56 s SER 145 CO 0.14 -0.88 -0.24 -1.48 0.98 0.00 0.00 173.24 171.75 1r56 s LEU 146 N -2.86 2.12 0.20 2.42 0.05 -0.46 -0.51 118.68 119.63 1r56 s LEU 146 Ca 0.07 -0.51 -0.09 0.00 0.05 0.00 0.00 54.13 53.65 1r56 s LEU 146 Cb 0.02 -1.21 -0.01 0.00 -2.05 0.00 0.00 46.19 42.95 1r56 s LEU 146 CO -0.08 0.26 0.33 -0.94 -0.55 0.00 0.00 176.35 175.37 1r56 s SER 147 N -0.94 0.01 -1.17 1.48 1.04 -0.76 -1.78 113.70 111.58 1r56 s SER 147 Ca 0.10 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1r56 s SER 147 Cb -0.09 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1r56 s SER 147 CO 0.01 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1r56 n GLY 148 N -0.28 0.56 3.51 7.32 0.00 -1.21 -0.88 105.19 114.21 1r56 n GLY 148 Ca -0.04 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1r56 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r56 s LEU 149 N -3.17 4.46 -0.27 0.99 2.96 -1.19 -3.87 118.68 118.59 1r56 s LEU 149 Ca 0.00 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1r56 s LEU 149 Cb 0.00 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1r56 s LEU 149 CO 0.00 -0.88 0.10 -0.89 -1.32 0.00 0.00 176.35 173.36 1r56 s THR 150 N 3.03 4.34 0.17 3.68 2.01 -1.26 0.77 115.64 128.38 1r56 s THR 150 Ca 0.24 -0.32 0.06 0.00 0.31 0.00 0.00 61.69 61.98 1r56 s THR 150 Cb -0.14 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1r56 s THR 150 CO 0.19 0.22 -0.12 0.68 -0.69 0.00 0.00 174.62 174.90 1r56 s VAL 151 N 1.60 1.38 -0.17 3.82 -7.23 -0.55 -5.01 120.40 114.24 1r56 s VAL 151 Ca 0.05 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 57.98 1r56 s VAL 151 Cb -0.16 -1.92 0.05 0.00 0.56 0.00 0.00 36.38 34.91 1r56 s VAL 151 CO 0.04 -0.69 0.43 -0.22 -0.31 0.00 0.00 175.10 174.35 1r56 s LEU 152 N -3.22 0.16 -0.07 1.32 0.20 -1.26 -1.52 118.68 114.29 1r56 s LEU 152 Ca 0.19 0.89 0.05 0.00 0.69 0.00 0.00 54.13 55.94 1r56 s LEU 152 Cb 0.01 1.44 -0.01 0.00 -0.43 0.00 0.00 46.19 47.20 1r56 s LEU 152 CO 0.03 -0.17 -0.21 -1.59 -0.29 0.00 0.00 176.35 174.12 1r56 s LYS 153 N 0.71 2.68 0.00 1.98 -2.85 -0.28 -5.01 119.74 116.98 1r56 s LYS 153 Ca -0.04 -0.83 0.26 0.00 -1.00 0.00 0.00 55.97 54.36 1r56 s LYS 153 Cb -0.05 -2.28 0.73 0.00 -2.06 0.00 0.00 37.83 34.17 1r56 s LYS 153 CO -0.05 0.40 1.56 -1.13 0.10 0.00 0.00 175.35 176.23 1r56 n SER 154 N 2.93 0.68 -2.30 0.03 3.41 -1.26 -1.51 113.62 115.60 1r56 n SER 154 Ca -0.17 -0.50 -0.06 0.00 -0.26 0.00 0.00 58.87 57.87 1r56 n SER 154 Cb 0.52 0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.61 1r56 n SER 154 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1r56 n THR 155 N -1.09 0.00 -2.99 6.66 5.66 -1.26 -4.34 114.28 116.92 1r56 n THR 155 Ca 0.09 -0.68 -0.13 0.00 -3.05 0.00 0.00 64.05 60.28 1r56 n THR 155 Cb 0.33 0.69 0.04 0.00 -1.55 0.00 0.00 70.33 69.84 1r56 n THR 155 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1r56 n ASN 156 N -1.36 -4.37 -3.89 1.09 4.13 -1.26 -4.87 115.26 104.73 1r56 n ASN 156 Ca -0.06 -0.26 -0.12 0.00 1.68 0.00 0.00 54.58 55.82 1r56 n ASN 156 Cb 0.42 -3.04 -0.14 0.00 -1.54 0.00 0.00 39.78 35.49 1r56 n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1r56 s SER 157 N -3.08 0.07 0.14 6.41 0.15 -1.25 -4.38 113.70 111.75 1r56 s SER 157 Ca 0.28 -0.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.85 1r56 s SER 157 Cb -0.12 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1r56 s SER 157 CO 0.35 -0.04 0.03 -1.10 1.20 0.00 0.00 173.24 173.68 1r56 s GLN 158 N -0.22 0.96 -0.29 5.44 -0.21 -1.19 -1.27 119.66 122.88 1r56 s GLN 158 Ca -0.02 -1.46 0.03 0.00 0.02 0.00 0.00 55.36 53.94 1r56 s GLN 158 Cb -0.02 0.08 0.20 0.00 1.00 0.00 0.00 33.01 34.27 1r56 s GLN 158 CO -0.00 -0.21 0.66 0.12 -2.12 0.00 0.00 175.29 173.74 1r56 s PHE 159 N -3.91 -1.65 0.18 0.91 5.36 -0.08 -4.33 117.98 114.46 1r56 s PHE 159 Ca 0.23 0.98 -0.11 0.00 -0.96 0.00 0.00 56.93 57.07 1r56 s PHE 159 Cb 0.07 0.29 -0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1r56 s PHE 159 CO 0.02 -0.96 0.36 1.67 -1.46 0.00 0.00 175.22 174.84 1r56 s TRP 160 N 2.85 0.30 -0.01 10.12 1.48 -1.26 -1.54 118.94 130.89 1r56 s TRP 160 Ca 0.13 -0.66 0.00 0.00 -1.06 0.00 0.00 56.10 54.51 1r56 s TRP 160 Cb -0.09 0.06 0.00 0.00 -1.16 0.00 0.00 33.47 32.28 1r56 s TRP 160 CO -0.25 -0.80 0.00 0.41 -4.06 0.00 0.00 176.95 172.25 1r56 n GLY 161 N -0.26 0.48 3.90 3.67 0.00 -1.26 -5.03 105.19 106.69 1r56 n GLY 161 Ca -0.07 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1r56 n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r56 s PHE 162 N -1.98 3.08 0.17 1.61 -0.71 -1.26 -5.00 117.98 113.89 1r56 s PHE 162 Ca 0.00 0.74 -0.32 0.00 -1.04 0.00 0.00 56.93 56.32 1r56 s PHE 162 Cb 0.00 -3.21 -0.11 0.00 -1.21 0.00 0.00 43.02 38.49 1r56 s PHE 162 CO 0.00 -1.40 1.73 -1.17 -1.34 0.00 0.00 175.22 173.03 1r56 s LEU 163 N -5.36 4.38 -0.09 -1.99 0.20 -1.26 -5.02 118.68 109.54 1r56 s LEU 163 Ca 0.59 2.78 0.04 0.00 0.69 0.00 0.00 54.13 58.23 1r56 s LEU 163 Cb -0.11 -3.59 -0.01 0.00 -0.43 0.00 0.00 46.19 42.06 1r56 s LEU 163 CO 0.48 -0.95 -0.22 -0.13 -0.29 0.00 0.00 176.35 175.24 1r56 s ARG 164 N 1.70 2.91 0.00 1.98 0.52 -1.26 -4.98 118.95 119.83 1r56 s ARG 164 Ca 0.76 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1r56 s ARG 164 Cb -0.47 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 32.67 1r56 s ARG 164 CO 0.33 0.28 0.00 -0.40 0.02 0.00 0.00 175.30 175.53 1r56 n ASP 165 N 3.25 0.00 0.00 0.23 5.68 -1.26 -5.02 116.55 119.43 1r56 n ASP 165 Ca -0.18 -0.02 0.10 0.00 -0.50 0.00 0.00 54.79 54.19 1r56 n ASP 165 Cb 0.53 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.03 1r56 n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1r56 n GLU 166 N 0.00 0.32 -0.18 0.11 0.00 -1.26 -1.88 120.64 117.75 1r56 n GLU 166 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 57.16 57.35 1r56 n GLU 166 Cb 0.00 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.14 1r56 n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1r56 n TYR 167 N -1.26 0.48 -3.97 -1.84 4.01 -1.26 -4.95 117.16 108.37 1r56 n TYR 167 Ca 0.10 -0.27 -0.35 0.00 -0.16 0.00 0.00 57.90 57.23 1r56 n TYR 167 Cb 0.15 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.09 1r56 n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1r56 s THR 168 N -1.37 4.87 0.00 -0.72 2.01 -0.79 -4.92 115.64 114.72 1r56 s THR 168 Ca 0.36 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1r56 s THR 168 Cb 0.21 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1r56 s THR 168 CO 0.29 0.46 0.00 0.35 -0.69 0.00 0.00 174.62 175.03 1r56 n THR 169 N 3.50 0.00 -1.71 -0.82 -2.24 -1.26 -4.81 114.28 106.94 1r56 n THR 169 Ca -0.17 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1r56 n THR 169 Cb 0.52 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1r56 n THR 169 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1r56 n LEU 170 N -0.80 4.01 -4.84 3.22 7.94 -1.26 -4.97 117.00 120.31 1r56 n LEU 170 Ca 0.00 1.04 -0.34 0.00 -1.11 0.00 0.00 56.01 55.60 1r56 n LEU 170 Cb 0.00 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.32 1r56 n LEU 170 CO 0.00 0.18 0.41 -0.54 -1.11 0.00 0.00 177.39 176.33 1r56 s LYS 171 N 1.62 4.09 0.52 1.96 1.02 -1.26 -5.05 119.74 122.64 1r56 s LYS 171 Ca 0.77 0.73 -0.20 0.00 0.02 0.00 0.00 55.97 57.30 1r56 s LYS 171 Cb -0.50 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.14 1r56 s LYS 171 CO 0.34 0.25 1.08 -1.21 -0.92 0.00 0.00 175.35 174.89 1r56 s GLU 172 N -2.61 3.56 -0.06 1.68 2.02 -1.26 -4.99 118.70 117.05 1r56 s GLU 172 Ca 0.50 1.48 -0.13 0.00 0.02 0.00 0.00 54.97 56.84 1r56 s GLU 172 Cb -0.13 -2.05 0.03 0.00 0.10 0.00 0.00 34.13 32.08 1r56 s GLU 172 CO 0.19 -0.65 0.30 -0.08 0.02 0.00 0.00 175.26 175.04 1r56 s THR 173 N -1.90 0.04 -1.35 3.63 -1.32 -0.59 -5.00 115.64 109.15 1r56 s THR 173 Ca 0.70 -0.30 0.12 0.00 -1.21 0.00 0.00 61.69 60.99 1r56 s THR 173 Cb -0.20 -0.54 0.07 0.00 -1.51 0.00 0.00 72.50 70.32 1r56 s THR 173 CO 0.24 -0.16 0.82 0.79 -2.21 0.00 0.00 174.62 174.10 1r56 n TRP 174 N 1.93 0.00 -3.26 9.09 8.01 -1.26 -0.90 117.44 131.05 1r56 n TRP 174 Ca -0.18 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 55.97 1r56 n TRP 174 Cb 0.57 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.82 1r56 n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1r56 s ASP 175 N -1.09 -0.44 0.21 -0.99 2.15 -1.22 -4.52 116.67 110.77 1r56 s ASP 175 Ca 0.13 0.44 -0.07 0.00 0.43 0.00 0.00 52.55 53.48 1r56 s ASP 175 Cb 0.10 1.55 -0.02 0.00 -0.30 0.00 0.00 42.92 44.25 1r56 s ASP 175 CO 0.18 -0.29 0.28 0.00 -0.17 0.00 0.00 175.17 175.17 1r56 s ARG 176 N 2.68 1.31 0.08 4.34 1.70 -0.39 -4.98 118.95 123.69 1r56 s ARG 176 Ca 0.16 -1.42 -0.29 0.00 -0.47 0.00 0.00 55.73 53.71 1r56 s ARG 176 Cb -0.15 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 1r56 s ARG 176 CO -0.19 -0.48 0.92 0.42 -1.08 0.00 0.00 175.30 174.89 1r56 s ILE 177 N -4.08 4.60 -0.16 4.99 1.01 -1.26 -3.88 121.20 122.42 1r56 s ILE 177 Ca 0.29 1.98 0.01 0.00 0.00 0.00 0.00 60.65 62.93 1r56 s ILE 177 Cb 0.04 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.24 1r56 s ILE 177 CO 0.09 0.30 -0.19 -0.22 0.00 0.00 0.00 174.94 174.92 1r56 s LEU 178 N 0.14 2.02 0.01 2.97 2.96 -0.57 -4.87 118.68 121.35 1r56 s LEU 178 Ca 0.46 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1r56 s LEU 178 Cb -0.22 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1r56 s LEU 178 CO 0.28 0.00 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.66 1r56 s SER 179 N 1.23 1.21 0.17 3.68 0.15 -1.26 -1.12 113.70 117.77 1r56 s SER 179 Ca 0.02 -0.29 -0.22 0.00 0.70 0.00 0.00 55.95 56.17 1r56 s SER 179 Cb -0.13 -0.10 0.06 0.00 -1.71 0.00 0.00 66.02 64.14 1r56 s SER 179 CO -0.10 0.05 0.59 0.28 1.20 0.00 0.00 173.24 175.26 1r56 s THR 180 N -0.53 0.01 -0.21 6.45 -1.32 -0.57 -0.71 115.64 118.76 1r56 s THR 180 Ca 0.01 -0.23 -0.08 0.00 -1.21 0.00 0.00 61.69 60.19 1r56 s THR 180 Cb -0.05 -1.17 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 1r56 s THR 180 CO 0.00 -0.04 0.07 -1.81 -2.21 0.00 0.00 174.62 170.63 1r56 s ASP 181 N -2.78 5.54 -0.17 8.08 1.01 -1.16 -1.48 116.67 125.70 1r56 s ASP 181 Ca 0.03 0.00 -0.11 0.00 0.71 0.00 0.00 52.55 53.18 1r56 s ASP 181 Cb -0.01 -1.97 -0.05 0.00 1.01 0.00 0.00 42.92 41.90 1r56 s ASP 181 CO -0.10 0.11 0.19 -0.69 0.21 0.00 0.00 175.17 174.89 1r56 s VAL 182 N 0.78 5.38 -0.18 -1.27 1.01 0.23 -3.42 120.40 122.93 1r56 s VAL 182 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1r56 s VAL 182 Cb -0.13 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1r56 s VAL 182 CO 0.02 0.45 -0.08 -0.62 0.00 0.00 0.00 175.10 174.88 1r56 s ASP 183 N 0.15 3.09 -0.06 3.32 -1.08 -1.01 -3.17 116.67 117.92 1r56 s ASP 183 Ca 0.12 -0.76 0.02 0.00 -0.52 0.00 0.00 52.55 51.41 1r56 s ASP 183 Cb -0.12 -1.06 0.01 0.00 -1.46 0.00 0.00 42.92 40.29 1r56 s ASP 183 CO 0.01 -0.16 -0.11 0.00 0.52 0.00 0.00 175.17 175.42 1r56 s ALA 184 N 1.52 1.17 -0.02 3.66 0.00 -0.74 -0.61 121.76 126.74 1r56 s ALA 184 Ca -0.00 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1r56 s ALA 184 Cb -0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1r56 s ALA 184 CO -0.08 0.12 -0.16 0.99 0.00 0.00 0.00 175.76 176.62 1r56 s THR 185 N 0.59 1.32 -0.10 0.00 2.01 0.26 -1.36 115.64 118.36 1r56 s THR 185 Ca -0.12 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1r56 s THR 185 Cb -0.15 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.26 1r56 s THR 185 CO 0.03 0.38 -0.15 -1.66 -0.69 0.00 0.00 174.62 172.53 1r56 s TRP 186 N -0.20 1.93 -0.22 4.92 -2.14 -0.14 0.17 118.94 123.26 1r56 s TRP 186 Ca 0.02 -0.89 -0.16 0.00 2.66 0.00 0.00 56.10 57.73 1r56 s TRP 186 Cb -0.08 -1.39 -0.04 0.00 -3.10 0.00 0.00 33.47 28.86 1r56 s TRP 186 CO 0.00 -0.45 0.42 -1.14 -2.66 0.00 0.00 176.95 173.12 1r56 s GLN 187 N 0.94 4.13 0.56 3.25 0.74 -0.09 -1.48 119.66 127.72 1r56 s GLN 187 Ca -0.08 0.22 -0.14 0.00 0.05 0.00 0.00 55.36 55.41 1r56 s GLN 187 Cb -0.15 -3.58 -0.06 0.00 1.10 0.00 0.00 33.01 30.32 1r56 s GLN 187 CO -0.01 -0.14 1.01 -1.58 -0.55 0.00 0.00 175.29 174.02 1r56 s TRP 188 N 1.63 3.47 0.52 1.67 0.52 -0.53 -0.41 118.94 125.80 1r56 s TRP 188 Ca 0.19 1.41 -0.22 0.00 0.02 0.00 0.00 56.10 57.50 1r56 s TRP 188 Cb -0.15 -2.78 -0.06 0.00 -1.15 0.00 0.00 33.47 29.33 1r56 s TRP 188 CO 0.09 -0.57 1.27 0.21 0.02 0.00 0.00 176.95 177.97 1r56 s LYS 189 N -4.50 3.36 0.30 4.98 2.20 0.11 -4.59 119.74 121.59 1r56 s LYS 189 Ca 0.58 2.02 -0.29 0.00 -0.36 0.00 0.00 55.97 57.91 1r56 s LYS 189 Cb -0.11 -2.28 -0.13 0.00 -1.51 0.00 0.00 37.83 33.80 1r56 s LYS 189 CO 0.41 -0.95 1.34 -1.71 -0.36 0.00 0.00 175.35 174.08 1r56 n ASN 190 N -0.88 2.76 -4.76 1.43 2.85 -1.26 -4.79 115.26 110.60 1r56 n ASN 190 Ca 0.10 1.18 -0.32 0.00 -0.11 0.00 0.00 54.58 55.42 1r56 n ASN 190 Cb 0.47 -1.46 -0.07 0.00 1.24 0.00 0.00 39.78 39.95 1r56 n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1r56 s PHE 191 N -0.63 3.24 0.19 1.20 0.08 -0.68 -4.96 117.98 116.41 1r56 s PHE 191 Ca 0.61 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.79 1r56 s PHE 191 Cb -0.60 -1.71 0.10 0.00 -0.57 0.00 0.00 43.02 40.24 1r56 s PHE 191 CO 0.57 0.53 1.50 0.66 -0.10 0.00 0.00 175.22 178.38 1r56 h SER 192 N 4.02 0.62 -0.32 1.36 4.64 -1.93 0.31 113.55 122.24 1r56 h SER 192 Ca -0.49 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 1r56 h SER 192 Cb 1.18 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1r56 h SER 192 CO 0.62 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 178.24 1r56 n GLY 193 N 0.27 1.06 0.37 -0.77 0.00 -1.26 -4.20 105.19 100.66 1r56 n GLY 193 Ca -0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 1r56 n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r56 h LEU 194 N 0.00 1.14 -1.04 0.99 6.46 -1.94 -2.73 115.31 118.18 1r56 h LEU 194 Ca 0.00 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 1r56 h LEU 194 Cb 0.00 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.62 1r56 h LEU 194 CO 0.00 0.84 0.17 -0.61 -0.62 0.00 0.00 178.44 178.22 1r56 h GLN 195 N 1.33 0.86 -0.33 1.25 4.15 -1.98 -0.06 115.11 120.32 1r56 h GLN 195 Ca 0.35 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 1r56 h GLN 195 Cb -0.12 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 1r56 h GLN 195 CO -0.07 0.75 0.06 1.49 -1.93 0.00 0.00 178.83 179.12 1r56 h GLU 196 N 0.84 0.55 -0.69 1.69 4.81 -1.90 -1.52 114.58 118.37 1r56 h GLU 196 Ca 0.19 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1r56 h GLU 196 Cb 0.25 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1r56 h GLU 196 CO -0.01 0.63 0.43 0.28 -0.73 0.00 0.00 179.01 179.62 1r56 h VAL 197 N 0.39 1.11 -0.75 0.32 2.07 -1.28 -2.11 116.25 116.00 1r56 h VAL 197 Ca 0.10 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1r56 h VAL 197 Cb 0.35 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1r56 h VAL 197 CO 0.01 0.16 0.50 0.03 0.02 0.00 0.00 177.57 178.28 1r56 h ARG 198 N 0.86 0.96 0.00 1.57 3.08 -0.71 -0.49 114.38 119.65 1r56 h ARG 198 Ca 0.27 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1r56 h ARG 198 Cb -0.01 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 1r56 h ARG 198 CO -0.10 0.63 -0.02 0.66 -1.07 0.00 0.00 179.97 180.08 1r56 h SER 199 N 0.99 0.00 -0.38 7.04 4.64 -0.58 -3.00 113.55 122.25 1r56 h SER 199 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1r56 h SER 199 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1r56 h SER 199 CO -0.07 0.02 0.00 1.41 -0.87 0.00 0.00 176.83 177.32 1r56 n HIS 200 N -3.14 0.50 -0.35 4.77 8.25 -0.23 -4.74 115.22 120.30 1r56 n HIS 200 Ca -0.01 -0.39 -0.02 0.00 -0.26 0.00 0.00 57.72 57.04 1r56 n HIS 200 Cb 0.23 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.36 1r56 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r56 h VAL 201 N 2.84 0.03 -0.70 1.59 2.07 -1.31 -0.53 116.25 120.24 1r56 h VAL 201 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1r56 h VAL 201 Cb 0.78 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1r56 h VAL 201 CO 0.00 0.00 0.48 -0.65 0.02 0.00 0.00 177.57 177.42 1r56 h PRO 202 N -0.04 0.24 0.00 1.57 0.11 -1.87 -1.60 132.00 130.42 1r56 h PRO 202 Ca 0.32 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 1r56 h PRO 202 Cb 0.58 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1r56 h PRO 202 CO -0.93 0.16 -0.01 0.87 -0.21 0.00 0.00 178.00 177.88 1r56 h LYS 203 N 0.25 0.00 0.17 1.05 1.57 -1.46 -3.22 116.57 114.92 1r56 h LYS 203 Ca 0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1r56 h LYS 203 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1r56 h LYS 203 CO -0.08 0.01 -0.08 0.74 -0.57 0.00 0.00 179.45 179.48 1r56 h PHE 204 N 0.00 -0.21 -0.32 -1.35 0.04 -1.39 -1.95 116.94 111.77 1r56 h PHE 204 Ca -0.00 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.61 1r56 h PHE 204 Cb 0.33 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1r56 h PHE 204 CO 0.00 0.14 -0.42 -0.44 -0.60 0.00 0.00 178.31 176.99 1r56 h ASP 205 N -0.60 0.84 -0.43 2.17 3.32 -1.76 -2.54 116.42 117.42 1r56 h ASP 205 Ca -0.02 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 56.67 1r56 h ASP 205 Cb 0.45 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1r56 h ASP 205 CO 0.04 1.14 0.20 0.00 -1.72 0.00 0.00 179.24 178.91 1r56 h ALA 206 N 0.89 0.54 0.00 3.45 0.00 -1.62 -1.58 119.26 120.94 1r56 h ALA 206 Ca 0.05 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1r56 h ALA 206 Cb 0.98 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1r56 h ALA 206 CO 0.09 -0.16 -0.65 1.15 0.00 0.00 0.00 179.25 179.68 1r56 h THR 207 N 0.41 1.35 -0.39 0.00 2.02 -1.31 -2.27 112.91 112.72 1r56 h THR 207 Ca 0.19 -2.33 -0.04 0.00 0.77 0.00 0.00 66.41 65.00 1r56 h THR 207 Cb 0.11 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1r56 h THR 207 CO -0.14 0.64 0.09 -0.25 0.37 0.00 0.00 175.52 176.22 1r56 h TRP 208 N 0.00 0.67 -0.07 3.16 7.01 -1.26 -1.69 115.95 123.76 1r56 h TRP 208 Ca -0.01 -0.08 -0.10 0.00 2.11 0.00 0.00 58.89 60.81 1r56 h TRP 208 Cb 1.24 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 28.11 1r56 h TRP 208 CO 0.00 0.65 -0.40 0.00 -2.79 0.00 0.00 178.44 175.90 1r56 h ALA 209 N 0.94 1.20 -0.08 2.65 0.00 -1.21 -2.36 119.26 120.41 1r56 h ALA 209 Ca 0.12 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 54.40 1r56 h ALA 209 Cb 0.32 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1r56 h ALA 209 CO 0.00 0.55 -0.90 1.15 0.00 0.00 0.00 179.25 180.06 1r56 h THR 210 N 0.13 1.29 -0.31 0.00 2.02 -1.29 -1.89 112.91 112.86 1r56 h THR 210 Ca 0.01 -2.12 -0.07 0.00 0.77 0.00 0.00 66.41 64.99 1r56 h THR 210 Cb 0.76 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 1r56 h THR 210 CO 0.06 0.66 -0.13 0.00 0.37 0.00 0.00 175.52 176.49 1r56 h ALA 211 N 0.52 1.21 -0.00 6.16 0.00 -1.10 -0.48 119.26 125.57 1r56 h ALA 211 Ca -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1r56 h ALA 211 Cb 1.54 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1r56 h ALA 211 CO 0.18 0.51 -0.02 -0.09 0.00 0.00 0.00 179.25 179.83 1r56 h ARG 212 N 0.49 0.02 -0.49 0.00 2.43 -1.41 -1.69 114.38 113.73 1r56 h ARG 212 Ca 0.09 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1r56 h ARG 212 Cb 0.51 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1r56 h ARG 212 CO 0.03 0.72 0.16 1.49 -1.51 0.00 0.00 179.97 180.86 1r56 h GLU 213 N -0.68 0.72 -0.25 0.20 4.81 -1.23 -0.45 114.58 117.70 1r56 h GLU 213 Ca -0.00 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 58.93 1r56 h GLU 213 Cb 0.72 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1r56 h GLU 213 CO 0.00 0.62 -0.55 0.28 -0.73 0.00 0.00 179.01 178.63 1r56 h VAL 214 N 0.70 1.29 0.29 0.32 2.07 -1.09 -1.67 116.25 118.16 1r56 h VAL 214 Ca 0.16 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1r56 h VAL 214 Cb 0.20 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1r56 h VAL 214 CO -0.01 0.56 -0.14 0.74 0.02 0.00 0.00 177.57 178.75 1r56 h THR 215 N 0.58 0.74 -0.19 2.57 2.02 -0.88 -2.22 112.91 115.53 1r56 h THR 215 Ca 0.01 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1r56 h THR 215 Cb 1.14 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1r56 h THR 215 CO 0.12 0.04 0.10 -0.07 0.37 0.00 0.00 175.52 176.08 1r56 h LEU 216 N -0.49 0.25 -0.61 2.58 3.38 -1.02 -2.04 115.31 117.36 1r56 h LEU 216 Ca -0.04 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1r56 h LEU 216 Cb 0.37 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1r56 h LEU 216 CO 0.06 0.29 -0.22 0.50 0.09 0.00 0.00 178.44 179.16 1r56 h LYS 217 N 0.19 0.88 -0.32 1.13 3.64 -1.34 -0.39 116.57 120.35 1r56 h LYS 217 Ca 0.07 -0.36 -0.05 0.00 -1.27 0.00 0.00 60.65 59.03 1r56 h LYS 217 Cb 0.10 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1r56 h LYS 217 CO -0.01 1.01 0.00 1.15 -2.27 0.00 0.00 179.45 179.33 1r56 h THR 218 N 0.76 1.26 -0.14 1.00 2.02 -1.42 -0.24 112.91 116.15 1r56 h THR 218 Ca 0.10 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1r56 h THR 218 Cb 0.76 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1r56 h THR 218 CO 0.06 0.31 0.09 0.15 0.37 0.00 0.00 175.52 176.50 1r56 h PHE 219 N 0.37 0.17 -0.74 3.16 3.57 -1.23 -0.74 116.94 121.50 1r56 h PHE 219 Ca 0.09 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1r56 h PHE 219 Cb 0.44 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1r56 h PHE 219 CO 0.04 0.12 0.26 0.00 -2.23 0.00 0.00 178.31 176.50 1r56 h ALA 220 N 1.04 0.96 0.04 2.41 0.00 -0.98 -3.34 119.26 119.39 1r56 h ALA 220 Ca 0.05 -0.21 -0.32 0.00 0.00 0.00 0.00 54.91 54.44 1r56 h ALA 220 Cb -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1r56 h ALA 220 CO -0.01 0.61 -1.80 0.39 0.00 0.00 0.00 179.25 178.44 1r56 n GLU 221 N -4.30 0.67 -1.76 0.00 1.02 -0.11 -4.93 120.64 111.23 1r56 n GLU 221 Ca 0.06 0.29 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 1r56 n GLU 221 Cb 0.20 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 1r56 n GLU 221 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1r56 s ASP 222 N -6.40 6.46 -1.12 1.62 2.15 -0.29 -4.94 116.67 114.16 1r56 s ASP 222 Ca -0.10 2.70 -0.09 0.00 0.43 0.00 0.00 52.55 55.49 1r56 s ASP 222 Cb 0.08 -2.57 0.28 0.00 -0.30 0.00 0.00 42.92 40.41 1r56 s ASP 222 CO 0.81 -0.98 1.12 -3.20 -0.17 0.00 0.00 175.17 172.74 1r56 n ASN 223 N 5.69 5.52 -4.53 -0.34 2.85 -1.26 -4.90 115.26 118.29 1r56 n ASN 223 Ca 0.17 -3.04 -0.30 0.00 -0.11 0.00 0.00 54.58 51.30 1r56 n ASN 223 Cb 0.39 -1.37 -0.11 0.00 1.24 0.00 0.00 39.78 39.92 1r56 n ASN 223 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1r56 s SER 224 N 1.26 4.14 0.00 1.20 0.01 -1.26 -4.99 113.70 114.06 1r56 s SER 224 Ca 0.31 -0.40 0.27 0.00 1.31 0.00 0.00 55.95 57.44 1r56 s SER 224 Cb -0.10 -0.74 0.87 0.00 0.21 0.00 0.00 66.02 66.26 1r56 s SER 224 CO -0.08 0.22 1.64 0.00 0.41 0.00 0.00 173.24 175.43 1r56 n ALA 225 N 1.11 2.79 -3.67 1.44 0.00 -1.26 -3.16 120.51 117.74 1r56 n ALA 225 Ca -0.15 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.74 1r56 n ALA 225 Cb 0.52 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 1r56 n ALA 225 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1r56 s SER 226 N -2.21 -0.23 0.35 0.00 1.04 -1.26 -4.47 113.70 106.93 1r56 s SER 226 Ca 0.32 0.86 0.17 0.00 0.48 0.00 0.00 55.95 57.78 1r56 s SER 226 Cb 0.20 1.00 1.19 0.00 0.10 0.00 0.00 66.02 68.51 1r56 s SER 226 CO 0.41 -0.22 1.63 0.58 0.98 0.00 0.00 173.24 176.63 1r56 h VAL 227 N 5.98 0.19 -0.30 5.02 2.07 -1.91 -1.37 116.25 125.93 1r56 h VAL 227 Ca -0.23 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.28 1r56 h VAL 227 Cb 1.14 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1r56 h VAL 227 CO 0.19 0.04 -0.07 1.56 0.02 0.00 0.00 177.57 179.31 1r56 h GLN 228 N 0.20 0.01 -0.45 1.57 7.50 -1.99 0.15 115.11 122.10 1r56 h GLN 228 Ca 0.78 -0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.89 1r56 h GLN 228 Cb 1.90 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.41 1r56 h GLN 228 CO -0.67 0.01 0.14 0.00 -1.50 0.00 0.00 178.83 176.81 1r56 h ALA 229 N 1.30 0.59 -0.73 3.87 0.00 -1.69 -1.86 119.26 120.74 1r56 h ALA 229 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1r56 h ALA 229 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1r56 h ALA 229 CO -0.31 0.24 0.37 1.15 0.00 0.00 0.00 179.25 180.70 1r56 h THR 230 N 0.58 1.23 -0.34 0.00 2.02 -0.92 -2.30 112.91 113.19 1r56 h THR 230 Ca 0.14 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 1r56 h THR 230 Cb 0.27 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1r56 h THR 230 CO -0.00 0.27 -0.12 0.00 0.37 0.00 0.00 175.52 176.03 1r56 h MET 231 N 1.01 0.59 -0.61 6.66 -0.00 -0.47 -2.73 114.93 119.38 1r56 h MET 231 Ca 0.25 -0.18 -0.06 0.00 -0.00 0.00 0.00 59.70 59.71 1r56 h MET 231 Cb 0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 31.61 1r56 h MET 231 CO -0.03 0.70 0.13 -0.92 -0.00 0.00 0.00 176.91 176.79 1r56 h TYR 232 N 0.54 1.05 -0.93 -0.10 3.20 -1.10 -2.52 116.97 117.10 1r56 h TYR 232 Ca 0.10 -0.13 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1r56 h TYR 232 Cb 0.53 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 1r56 h TYR 232 CO 0.02 0.89 0.62 0.87 -1.64 0.00 0.00 178.16 178.91 1r56 h LYS 233 N 0.91 1.23 0.18 1.82 1.57 -1.16 -1.04 116.57 120.08 1r56 h LYS 233 Ca 0.19 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1r56 h LYS 233 Cb 0.38 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1r56 h LYS 233 CO 0.01 0.82 -0.09 0.52 -0.57 0.00 0.00 179.45 180.14 1r56 h MET 234 N 1.27 -0.23 -0.43 3.15 2.86 -1.30 -2.85 114.93 117.39 1r56 h MET 234 Ca 0.34 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1r56 h MET 234 Cb -0.14 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1r56 h MET 234 CO -0.07 -0.12 0.27 0.00 1.06 0.00 0.00 176.91 178.05 1r56 h ALA 235 N 0.52 0.55 -0.33 6.32 0.00 -1.12 -2.63 119.26 122.58 1r56 h ALA 235 Ca -0.02 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1r56 h ALA 235 Cb 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1r56 h ALA 235 CO 0.04 0.02 -0.09 0.93 0.00 0.00 0.00 179.25 180.16 1r56 h GLU 236 N 0.58 -0.01 -0.59 0.00 5.08 -1.21 -1.08 114.58 117.35 1r56 h GLU 236 Ca 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1r56 h GLU 236 Cb -0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1r56 h GLU 236 CO -0.03 -0.01 0.30 1.96 -1.00 0.00 0.00 179.01 180.23 1r56 h GLN 237 N -0.01 0.82 -0.24 2.33 4.20 -1.27 -1.70 115.11 119.25 1r56 h GLN 237 Ca 0.16 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 1r56 h GLN 237 Cb 0.25 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1r56 h GLN 237 CO -0.35 0.62 -0.44 0.82 -0.67 0.00 0.00 178.83 178.82 1r56 h ILE 238 N 0.82 1.31 -0.98 2.54 2.04 -1.03 -2.18 117.51 120.03 1r56 h ILE 238 Ca 0.21 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1r56 h ILE 238 Cb 0.06 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1r56 h ILE 238 CO -0.03 0.52 0.63 -0.07 0.00 0.00 0.00 178.15 179.20 1r56 h LEU 239 N 0.44 1.14 -1.51 1.44 3.38 -1.07 -2.42 115.31 116.71 1r56 h LEU 239 Ca 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1r56 h LEU 239 Cb 1.04 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1r56 h LEU 239 CO 0.10 0.84 -0.08 0.00 0.09 0.00 0.00 178.44 179.39 1r56 h ALA 240 N 1.35 1.04 0.00 1.53 0.00 -1.14 -3.16 119.26 118.87 1r56 h ALA 240 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1r56 h ALA 240 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1r56 h ALA 240 CO -0.07 0.10 -1.14 0.54 0.00 0.00 0.00 179.25 178.68 1r56 n ARG 241 N -3.24 0.11 -3.55 0.00 1.74 -0.83 -4.85 116.66 106.04 1r56 n ARG 241 Ca -0.00 -0.03 -0.19 0.00 -0.77 0.00 0.00 57.85 56.86 1r56 n ARG 241 Cb 0.32 -1.51 -0.14 0.00 -1.02 0.00 0.00 32.46 30.11 1r56 n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1r56 s GLN 242 N -3.09 0.14 0.42 5.56 2.00 -1.00 -5.03 119.66 118.66 1r56 s GLN 242 Ca 0.06 0.25 0.23 0.00 -2.00 0.00 0.00 55.36 53.89 1r56 s GLN 242 Cb 0.16 -1.08 0.78 0.00 0.80 0.00 0.00 33.01 33.67 1r56 s GLN 242 CO 0.87 -0.57 1.77 0.37 -0.50 0.00 0.00 175.29 177.22 1r56 h GLN 243 N 8.34 0.00 0.00 1.67 5.75 -1.89 -3.10 115.11 125.88 1r56 h GLN 243 Ca -0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1r56 h GLN 243 Cb 1.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1r56 h GLN 243 CO 0.25 0.25 0.00 1.28 -2.65 0.00 0.00 178.83 177.96 1r56 n LEU 244 N -3.35 0.00 -4.70 -2.39 7.99 -1.26 -4.73 117.00 108.56 1r56 n LEU 244 Ca 0.01 0.33 -0.41 0.00 -0.01 0.00 0.00 56.01 55.92 1r56 n LEU 244 Cb 0.47 -0.33 -0.04 0.00 -0.11 0.00 0.00 43.42 43.42 1r56 n LEU 244 CO 0.34 -0.07 0.54 -0.63 -1.51 0.00 0.00 177.39 176.07 1r56 s ILE 245 N -2.65 4.95 -0.19 -0.08 -1.09 -1.17 0.08 121.20 121.04 1r56 s ILE 245 Ca 0.21 1.64 -0.10 0.00 -2.23 0.00 0.00 60.65 60.17 1r56 s ILE 245 Cb 0.16 -4.13 -0.21 0.00 -1.58 0.00 0.00 42.46 36.70 1r56 s ILE 245 CO 0.38 0.14 0.12 -0.62 -1.23 0.00 0.00 174.94 173.73 1r56 n GLU 246 N 4.40 0.67 -3.99 2.79 1.02 0.45 -4.87 120.64 121.11 1r56 n GLU 246 Ca 0.02 0.32 -0.08 0.00 -0.02 0.00 0.00 57.16 57.40 1r56 n GLU 246 Cb 0.50 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 30.17 1r56 n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1r56 s THR 247 N -2.49 0.16 -0.07 2.62 -4.23 -1.21 -4.13 115.64 106.29 1r56 s THR 247 Ca -0.29 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 58.91 1r56 s THR 247 Cb 0.08 -1.07 0.01 0.00 1.34 0.00 0.00 72.50 72.86 1r56 s THR 247 CO 0.66 -0.74 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.16 1r56 s VAL 248 N -3.04 1.29 -0.06 2.29 1.01 -0.62 -0.91 120.40 120.37 1r56 s VAL 248 Ca -0.01 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1r56 s VAL 248 Cb 0.01 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1r56 s VAL 248 CO -0.07 0.39 -0.21 -0.70 0.00 0.00 0.00 175.10 174.51 1r56 s GLU 249 N 0.61 2.33 0.04 2.72 2.12 0.13 -0.67 118.70 125.96 1r56 s GLU 249 Ca -0.15 -0.75 0.09 0.00 0.36 0.00 0.00 54.97 54.51 1r56 s GLU 249 Cb -0.16 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.28 1r56 s GLU 249 CO 0.05 0.26 -0.24 0.71 -0.54 0.00 0.00 175.26 175.49 1r56 s TYR 250 N 0.10 2.15 -0.13 5.30 2.02 -0.70 -0.58 117.35 125.51 1r56 s TYR 250 Ca -0.08 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1r56 s TYR 250 Cb -0.14 -1.30 0.05 0.00 -0.40 0.00 0.00 41.96 40.17 1r56 s TYR 250 CO 0.04 0.10 0.05 0.45 -1.57 0.00 0.00 175.55 174.62 1r56 s SER 251 N -1.16 2.11 -0.28 2.29 0.15 0.21 -2.22 113.70 114.80 1r56 s SER 251 Ca 0.10 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.34 1r56 s SER 251 Cb -0.10 -0.37 0.06 0.00 -1.71 0.00 0.00 66.02 63.90 1r56 s SER 251 CO 0.02 -0.28 -0.06 -0.76 1.20 0.00 0.00 173.24 173.36 1r56 s LEU 252 N 2.02 3.73 -0.63 3.45 1.43 0.56 -2.39 118.68 126.85 1r56 s LEU 252 Ca 0.02 -1.43 -0.23 0.00 -1.03 0.00 0.00 54.13 51.47 1r56 s LEU 252 Cb -0.15 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.52 1r56 s LEU 252 CO -0.07 -0.23 0.96 -2.84 0.23 0.00 0.00 176.35 174.40 1r56 s PRO 253 N 1.14 3.17 0.37 1.29 0.02 -1.22 -1.80 135.00 137.97 1r56 s PRO 253 Ca -0.06 -0.66 -0.26 0.00 0.02 0.00 0.00 61.00 60.04 1r56 s PRO 253 Cb -0.20 -4.17 -0.12 0.00 0.02 0.00 0.00 34.50 30.03 1r56 s PRO 253 CO -0.04 -1.72 1.16 0.09 -0.33 0.00 0.00 177.00 176.16 1r56 n ASN 254 N 7.65 2.03 -4.00 2.53 4.13 -0.36 -2.98 115.26 124.26 1r56 n ASN 254 Ca -0.02 1.13 -0.30 0.00 1.68 0.00 0.00 54.58 57.07 1r56 n ASN 254 Cb 0.46 -1.42 -0.16 0.00 -1.54 0.00 0.00 39.78 37.13 1r56 n ASN 254 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1r56 s LYS 255 N -1.93 2.11 0.22 3.52 1.02 0.11 -4.11 119.74 120.68 1r56 s LYS 255 Ca 0.59 -0.79 -0.19 0.00 0.02 0.00 0.00 55.97 55.60 1r56 s LYS 255 Cb -0.58 -2.36 -0.08 0.00 -0.52 0.00 0.00 37.83 34.29 1r56 s LYS 255 CO 0.59 -0.38 0.71 -1.01 -0.92 0.00 0.00 175.35 174.34 1r56 s HIS 256 N 1.41 3.64 -0.19 3.18 3.76 -1.26 -4.08 115.29 121.75 1r56 s HIS 256 Ca 0.00 1.36 -0.01 0.00 -0.15 0.00 0.00 55.06 56.26 1r56 s HIS 256 Cb -0.15 -2.60 0.05 0.00 1.11 0.00 0.00 32.58 30.99 1r56 s HIS 256 CO -0.09 0.34 -0.03 0.71 -0.85 0.00 0.00 174.74 174.82 1r56 s TYR 257 N -1.53 1.69 0.11 1.40 1.51 -1.26 -0.76 117.35 118.51 1r56 s TYR 257 Ca 0.43 -1.20 -0.06 0.00 -1.01 0.00 0.00 57.07 55.23 1r56 s TYR 257 Cb -0.16 -1.30 -0.05 0.00 -0.11 0.00 0.00 41.96 40.33 1r56 s TYR 257 CO 0.21 -0.66 0.36 -0.06 -1.11 0.00 0.00 175.55 174.29 1r56 s PHE 258 N 1.63 3.51 0.73 2.71 0.08 -0.23 -4.85 117.98 121.56 1r56 s PHE 258 Ca -0.02 0.58 -0.13 0.00 0.12 0.00 0.00 56.93 57.48 1r56 s PHE 258 Cb -0.17 -2.02 0.04 0.00 -0.57 0.00 0.00 43.02 40.30 1r56 s PHE 258 CO -0.07 0.48 1.13 -1.21 -0.10 0.00 0.00 175.22 175.44 1r56 s GLU 259 N -2.41 2.36 -0.18 0.44 2.02 -1.26 -0.80 118.70 118.87 1r56 s GLU 259 Ca 0.38 1.42 0.00 0.00 0.02 0.00 0.00 54.97 56.79 1r56 s GLU 259 Cb -0.13 -1.89 0.04 0.00 0.10 0.00 0.00 34.13 32.25 1r56 s GLU 259 CO 0.23 -1.60 -0.09 0.42 0.02 0.00 0.00 175.26 174.24 1r56 s ILE 260 N -2.44 1.44 -0.13 -1.63 1.01 -1.26 -4.77 121.20 113.42 1r56 s ILE 260 Ca 0.67 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 1r56 s ILE 260 Cb -0.22 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1r56 s ILE 260 CO 0.47 0.21 1.14 -0.62 0.00 0.00 0.00 174.94 176.14 1r56 s ASP 261 N 1.49 7.08 -0.01 3.58 -1.08 -1.26 -4.63 116.67 121.85 1r56 s ASP 261 Ca 0.01 1.63 0.04 0.00 -0.52 0.00 0.00 52.55 53.70 1r56 s ASP 261 Cb -0.15 -2.55 0.10 0.00 -1.46 0.00 0.00 42.92 38.86 1r56 s ASP 261 CO -0.08 -0.61 1.08 0.18 0.52 0.00 0.00 175.17 176.25 1r56 n LEU 262 N 5.73 2.29 0.31 -1.34 4.77 -1.26 -4.75 117.00 122.76 1r56 n LEU 262 Ca 0.11 -2.07 0.19 0.00 -0.03 0.00 0.00 56.01 54.22 1r56 n LEU 262 Cb 0.46 -0.09 1.04 0.00 -2.33 0.00 0.00 43.42 42.51 1r56 n LEU 262 CO 0.54 0.57 1.16 0.77 -1.33 0.00 0.00 177.39 179.10 1r56 h SER 263 N 0.56 0.00 0.54 -1.43 4.64 -1.76 0.25 113.55 116.35 1r56 h SER 263 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r56 h SER 263 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1r56 h SER 263 CO 0.00 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.29 1r56 n TRP 264 N -3.41 0.60 -3.54 4.77 4.27 -1.26 -0.82 117.44 118.05 1r56 n TRP 264 Ca -0.02 0.25 -0.41 0.00 -3.89 0.00 0.00 57.50 53.43 1r56 n TRP 264 Cb 0.13 -0.90 -0.06 0.00 -1.36 0.00 0.00 31.31 29.11 1r56 n TRP 264 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1r56 s HIS 265 N -3.27 3.55 -1.06 -2.67 5.04 0.08 -4.68 115.29 112.27 1r56 s HIS 265 Ca 0.04 -2.31 0.00 0.00 -1.54 0.00 0.00 55.06 51.25 1r56 s HIS 265 Cb 0.08 -3.49 0.00 0.00 0.04 0.00 0.00 32.58 29.22 1r56 s HIS 265 CO 0.32 -0.92 0.00 1.63 -2.34 0.00 0.00 174.74 173.43 1r56 n LYS 266 N 3.89 -1.94 -1.16 2.88 5.02 -1.26 -1.74 118.16 123.84 1r56 n LYS 266 Ca 0.08 0.59 -0.06 0.00 -2.02 0.00 0.00 58.31 56.91 1r56 n LYS 266 Cb 0.42 -5.06 -0.02 0.00 -0.02 0.00 0.00 35.03 30.34 1r56 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r56 n GLY 267 N -0.60 0.80 3.67 0.72 0.00 -0.00 -4.97 105.19 104.81 1r56 n GLY 267 Ca -0.13 -0.59 -0.48 0.00 0.00 0.00 0.00 46.02 44.83 1r56 n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r56 n LEU 268 N -0.64 3.05 -4.62 0.99 7.94 -0.71 -4.79 117.00 118.23 1r56 n LEU 268 Ca -0.06 1.05 -0.39 0.00 -1.11 0.00 0.00 56.01 55.50 1r56 n LEU 268 Cb 0.22 -1.37 -0.09 0.00 0.53 0.00 0.00 43.42 42.71 1r56 n LEU 268 CO 0.09 -0.29 0.10 -1.10 -1.11 0.00 0.00 177.39 175.08 1r56 s GLN 269 N 2.06 4.05 0.00 1.96 -1.52 -1.26 -2.28 119.66 122.66 1r56 s GLN 269 Ca 0.85 0.12 0.14 0.00 -1.95 0.00 0.00 55.36 54.52 1r56 s GLN 269 Cb -0.73 -3.64 0.24 0.00 -0.22 0.00 0.00 33.01 28.66 1r56 s GLN 269 CO 0.45 -0.26 1.07 -1.71 -0.25 0.00 0.00 175.29 174.59 1r56 n ASN 270 N 5.25 0.27 -4.33 5.90 5.15 -1.26 -4.72 115.26 121.51 1r56 n ASN 270 Ca -0.08 -1.94 -0.17 0.00 -0.60 0.00 0.00 54.58 51.79 1r56 n ASN 270 Cb 0.51 -0.10 -0.10 0.00 -0.53 0.00 0.00 39.78 39.55 1r56 n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1r56 s THR 271 N 0.00 1.31 0.00 -0.44 -4.23 -1.26 -3.91 115.64 107.11 1r56 s THR 271 Ca 0.19 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1r56 s THR 271 Cb 0.22 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1r56 s THR 271 CO -0.09 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1r56 n GLY 272 N -0.39 2.63 0.53 3.99 0.00 -1.26 -1.29 105.19 109.40 1r56 n GLY 272 Ca -0.07 -0.16 0.35 0.00 0.00 0.00 0.00 46.02 46.14 1r56 n GLY 272 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r56 h LYS 273 N 0.00 0.00 -0.11 1.61 3.64 -1.99 -0.97 116.57 118.76 1r56 h LYS 273 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1r56 h LYS 273 Cb 0.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1r56 h LYS 273 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1r56 n ASN 274 N -4.18 2.75 -4.65 4.20 5.03 -0.41 -4.95 115.26 113.05 1r56 n ASN 274 Ca 0.25 -1.90 -0.42 0.00 0.87 0.00 0.00 54.58 53.39 1r56 n ASN 274 Cb 1.24 -0.06 -0.03 0.00 -1.02 0.00 0.00 39.78 39.92 1r56 n ASN 274 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1r56 s ALA 275 N -1.89 3.45 0.00 5.41 0.00 -0.37 -4.25 121.76 124.11 1r56 s ALA 275 Ca 0.32 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1r56 s ALA 275 Cb 0.21 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1r56 s ALA 275 CO 0.31 -1.73 0.00 0.39 0.00 0.00 0.00 175.76 174.73 1r56 n GLU 276 N 7.64 1.81 -3.88 0.00 1.02 -1.26 -4.96 120.64 121.01 1r56 n GLU 276 Ca 0.21 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.99 1r56 n GLU 276 Cb 0.42 -0.89 -0.13 0.00 -0.02 0.00 0.00 31.44 30.83 1r56 n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1r56 s VAL 277 N -1.77 3.99 0.32 2.62 1.01 -1.26 -5.11 120.40 120.19 1r56 s VAL 277 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 61.79 1r56 s VAL 277 Cb 0.00 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1r56 s VAL 277 CO 0.00 0.38 -0.09 -0.36 0.00 0.00 0.00 175.10 175.03 1r56 s PHE 278 N 1.41 2.43 -0.24 5.22 0.40 -1.26 -4.04 117.98 121.89 1r56 s PHE 278 Ca 0.05 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1r56 s PHE 278 Cb -0.15 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1r56 s PHE 278 CO 0.01 0.60 -0.03 0.00 0.70 0.00 0.00 175.22 176.50 1r56 s ALA 279 N -2.54 2.80 0.25 5.36 0.00 0.02 -4.93 121.76 122.73 1r56 s ALA 279 Ca 0.32 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1r56 s ALA 279 Cb -0.01 -1.76 -0.09 0.00 0.00 0.00 0.00 23.12 21.26 1r56 s ALA 279 CO 0.17 -0.64 1.05 -2.14 0.00 0.00 0.00 175.76 174.20 1r56 s PRO 280 N 1.43 4.70 -0.18 0.00 0.02 -1.26 -1.06 135.00 138.63 1r56 s PRO 280 Ca 0.03 1.70 -0.08 0.00 0.02 0.00 0.00 61.00 62.68 1r56 s PRO 280 Cb -0.15 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 1r56 s PRO 280 CO -0.03 0.28 0.08 -0.65 -0.33 0.00 0.00 177.00 176.35 1r56 s GLN 281 N -1.21 4.02 0.17 5.54 -1.52 0.06 -4.93 119.66 121.78 1r56 s GLN 281 Ca 0.44 -0.30 0.03 0.00 -1.95 0.00 0.00 55.36 53.58 1r56 s GLN 281 Cb -0.30 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.23 1r56 s GLN 281 CO 0.38 0.30 1.39 0.77 -0.25 0.00 0.00 175.29 177.87 1r56 h SER 282 N 6.63 0.24 -4.93 5.90 0.02 -1.95 -3.39 113.55 116.06 1r56 h SER 282 Ca -0.39 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.40 1r56 h SER 282 Cb 1.16 -0.07 -0.12 0.00 0.14 0.00 0.00 62.40 63.51 1r56 h SER 282 CO 0.72 0.99 0.28 1.51 -1.14 0.00 0.00 176.83 179.19 1r56 s ASP 283 N -6.92 -0.48 0.89 3.07 1.47 -1.26 -4.83 116.67 108.61 1r56 s ASP 283 Ca -0.03 -0.07 -0.05 0.00 1.18 0.00 0.00 52.55 53.59 1r56 s ASP 283 Cb 0.10 0.56 0.07 0.00 -0.34 0.00 0.00 42.92 43.32 1r56 s ASP 283 CO 0.82 -0.92 0.45 -0.81 0.68 0.00 0.00 175.17 175.39 1r56 n PRO 284 N -0.36 -0.28 -3.84 2.11 -0.04 -1.26 -5.10 135.00 126.22 1r56 n PRO 284 Ca -0.14 -0.79 -0.12 0.00 -0.04 0.00 0.00 63.50 62.41 1r56 n PRO 284 Cb 0.64 -0.44 -0.11 0.00 -0.04 0.00 0.00 33.50 33.55 1r56 n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r56 s ASN 285 N -2.68 -0.07 0.62 3.54 4.22 -1.26 -4.77 114.94 114.53 1r56 s ASN 285 Ca 0.26 0.04 -0.18 0.00 -2.14 0.00 0.00 52.86 50.85 1r56 s ASN 285 Cb -0.01 0.27 -0.02 0.00 1.28 0.00 0.00 41.25 42.77 1r56 s ASN 285 CO 0.18 -0.23 1.17 -0.83 -2.04 0.00 0.00 177.10 175.35 1r56 s GLY 286 N -0.74 2.55 -0.09 0.45 0.00 -1.26 -4.87 107.32 103.36 1r56 s GLY 286 Ca -0.08 0.87 -0.03 0.00 0.00 0.00 0.00 44.72 45.48 1r56 s GLY 286 CO 0.01 1.25 0.06 -2.27 0.00 0.00 0.00 173.10 172.15 1r56 s LEU 287 N -4.34 0.34 -0.06 0.66 2.96 -1.26 -1.23 118.68 115.75 1r56 s LEU 287 Ca 0.74 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 1r56 s LEU 287 Cb -0.27 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.16 1r56 s LEU 287 CO 0.35 -0.27 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.25 1r56 s ILE 288 N 2.11 1.90 0.06 6.68 1.09 -0.74 -4.98 121.20 127.31 1r56 s ILE 288 Ca 0.04 -0.97 0.01 0.00 -1.10 0.00 0.00 60.65 58.63 1r56 s ILE 288 Cb -0.14 -1.62 -0.03 0.00 -1.06 0.00 0.00 42.46 39.61 1r56 s ILE 288 CO -0.05 0.53 -0.06 -0.54 -0.10 0.00 0.00 174.94 174.72 1r56 s LYS 289 N -0.02 0.60 -0.02 2.79 1.02 -1.26 -0.32 119.74 122.53 1r56 s LYS 289 Ca -0.06 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.64 1r56 s LYS 289 Cb -0.14 -0.11 0.09 0.00 -0.52 0.00 0.00 37.83 37.15 1r56 s LYS 289 CO 0.04 -0.02 0.76 0.00 -0.92 0.00 0.00 175.35 175.22 1r56 s THR 291 N -1.96 1.82 -0.08 0.00 2.01 -1.26 -1.72 115.64 114.45 1r56 s THR 291 Ca -0.04 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.17 1r56 s THR 291 Cb -0.00 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1r56 s THR 291 CO 0.01 0.50 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.53 1r56 s VAL 292 N 0.95 2.29 0.10 3.82 1.01 0.15 -4.98 120.40 123.73 1r56 s VAL 292 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1r56 s VAL 292 Cb -0.15 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1r56 s VAL 292 CO -0.03 0.56 0.02 0.61 0.00 0.00 0.00 175.10 176.26 1r56 n GLY 293 N 3.19 3.96 3.81 4.51 0.00 -1.26 -1.58 105.19 117.81 1r56 n GLY 293 Ca -0.18 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1r56 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r56 s ARG 294 N -2.36 4.28 0.45 1.61 0.52 -1.26 -5.04 118.95 117.16 1r56 s ARG 294 Ca 0.03 0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 55.89 1r56 s ARG 294 Cb 0.00 -3.13 -0.10 0.00 0.52 0.00 0.00 34.95 32.24 1r56 s ARG 294 CO 0.02 0.55 0.96 0.45 0.02 0.00 0.00 175.30 177.30 1r56 s SER 295 N -1.31 6.84 0.00 0.23 0.15 -1.26 -4.98 113.70 113.37 1r56 s SER 295 Ca 0.35 1.67 0.21 0.00 0.70 0.00 0.00 55.95 58.88 1r56 s SER 295 Cb -0.19 -2.53 0.54 0.00 -1.71 0.00 0.00 66.02 62.13 1r56 s SER 295 CO 0.21 -0.43 1.45 -1.54 1.20 0.00 0.00 173.24 174.13 1r56 n SER 296 N -0.88 2.75 -4.72 5.45 3.41 -1.26 -4.89 113.62 113.48 1r56 n SER 296 Ca 0.07 -1.90 -0.42 0.00 -0.26 0.00 0.00 58.87 56.36 1r56 n SER 296 Cb 0.54 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 1r56 n SER 296 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1r56 s LEU 297 N -1.43 4.43 0.00 1.04 2.01 -1.26 -4.94 118.68 118.53 1r56 s LEU 297 Ca 0.36 1.87 0.28 0.00 0.01 0.00 0.00 54.13 56.65 1r56 s LEU 297 Cb 0.20 -3.58 1.14 0.00 0.01 0.00 0.00 46.19 43.95 1r56 s LEU 297 CO 0.28 -0.26 1.79 1.17 1.01 0.00 0.00 176.35 180.35 1r56 n LYS 298 N 3.32 1.11 0.00 1.70 4.81 -1.26 -5.24 118.16 122.60 1r56 n LYS 298 Ca 0.05 -0.53 0.00 0.00 -0.87 0.00 0.00 58.31 56.96 1r56 n LYS 298 Cb 0.48 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 34.04 1r56 n LYS 298 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44