#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p75 s GLU 2 N 0.00 4.07 -0.03 2.12 2.12 -1.26 -0.74 118.70 124.98 2p75 s GLU 2 Ca 0.00 1.80 0.03 0.00 0.36 0.00 0.00 54.97 57.16 2p75 s GLU 2 Cb 0.00 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.47 2p75 s GLU 2 CO 0.00 -0.94 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.16 2p75 s LEU 3 N 4.20 1.78 -0.27 2.70 1.43 -0.19 -3.07 118.68 125.26 2p75 s LEU 3 Ca 0.65 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.46 2p75 s LEU 3 Cb -0.26 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 2p75 s LEU 3 CO 0.24 0.08 0.06 0.26 0.23 0.00 0.00 176.35 177.22 2p75 s TRP 4 N 0.24 3.10 -0.20 0.29 0.52 -0.33 -0.64 118.94 121.92 2p75 s TRP 4 Ca -0.05 -0.78 -0.06 0.00 0.02 0.00 0.00 56.10 55.23 2p75 s TRP 4 Cb -0.10 -2.23 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 2p75 s TRP 4 CO 0.01 -0.50 0.04 -0.51 0.02 0.00 0.00 176.95 176.01 2p75 s LEU 5 N 1.54 3.55 -0.16 2.99 1.02 0.10 0.79 118.68 128.51 2p75 s LEU 5 Ca 0.04 -0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.10 2p75 s LEU 5 Cb -0.16 -1.91 -0.02 0.00 0.02 0.00 0.00 46.19 44.12 2p75 s LEU 5 CO 0.02 0.11 -0.05 -0.69 0.02 0.00 0.00 176.35 175.76 2p75 s VAL 6 N 0.77 3.72 -0.16 -1.59 1.01 0.45 -1.00 120.40 123.60 2p75 s VAL 6 Ca 0.02 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 2p75 s VAL 6 Cb -0.14 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2p75 s VAL 6 CO 0.02 0.49 0.63 -0.60 0.00 0.00 0.00 175.10 175.64 2p75 s ARG 7 N 0.47 4.27 0.93 2.72 3.52 -0.22 -0.58 118.95 130.06 2p75 s ARG 7 Ca -0.04 0.66 -0.11 0.00 -0.13 0.00 0.00 55.73 56.11 2p75 s ARG 7 Cb -0.15 -3.53 0.11 0.00 -1.56 0.00 0.00 34.95 29.82 2p75 s ARG 7 CO 0.03 -0.14 0.89 -2.39 -0.81 0.00 0.00 175.30 172.88 2p75 n HIS 8 N 4.64 0.03 -0.73 5.12 1.44 -0.77 -0.43 115.22 124.52 2p75 n HIS 8 Ca -0.02 0.33 -0.29 0.00 -2.01 0.00 0.00 57.72 55.74 2p75 n HIS 8 Cb 0.50 -1.92 0.21 0.00 0.12 0.00 0.00 29.99 28.90 2p75 n HIS 8 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2p75 s GLY 9 N -2.42 1.59 0.57 -1.39 0.00 -1.26 -2.02 107.32 102.39 2p75 s GLY 9 Ca 0.63 0.01 -0.18 0.00 0.00 0.00 0.00 44.72 45.19 2p75 s GLY 9 CO 0.61 0.63 1.12 -1.83 0.00 0.00 0.00 173.10 173.63 2p75 s GLU 10 N -4.61 3.22 0.43 2.90 -1.05 -1.26 -4.78 118.70 113.54 2p75 s GLU 10 Ca 0.67 1.53 0.05 0.00 -0.15 0.00 0.00 54.97 57.07 2p75 s GLU 10 Cb -0.23 -1.99 -0.05 0.00 -0.44 0.00 0.00 34.13 31.41 2p75 s GLU 10 CO 0.61 -0.94 0.02 0.95 0.95 0.00 0.00 175.26 176.86 2p75 s THR 11 N -1.95 1.52 0.34 1.83 -4.23 -1.26 -1.62 115.64 110.27 2p75 s THR 11 Ca 0.71 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.24 2p75 s THR 11 Cb -0.22 -2.68 0.27 0.00 1.34 0.00 0.00 72.50 71.21 2p75 s THR 11 CO 0.31 0.00 1.97 -0.07 -0.54 0.00 0.00 174.62 176.29 2p75 h LEU 12 N 1.71 0.77 0.00 4.79 3.38 -1.93 -1.64 115.31 122.39 2p75 h LEU 12 Ca -0.43 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2p75 h LEU 12 Cb 1.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2p75 h LEU 12 CO 0.75 0.53 0.00 0.79 0.09 0.00 0.00 178.44 180.61 2p75 n TRP 13 N -4.45 0.00 -0.04 1.13 7.02 -1.26 -1.66 117.44 118.18 2p75 n TRP 13 Ca 0.09 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.44 2p75 n TRP 13 Cb 0.12 -0.49 -0.11 0.00 -2.42 0.00 0.00 31.31 28.41 2p75 n TRP 13 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2p75 h ASN 14 N 0.00 -0.01 0.40 -0.99 -1.24 -1.58 -0.82 115.58 111.34 2p75 h ASN 14 Ca 0.00 -0.73 -0.12 0.00 0.71 0.00 0.00 56.30 56.15 2p75 h ASN 14 Cb 0.15 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 2p75 h ASN 14 CO 0.00 0.74 -0.53 0.08 -1.29 0.00 0.00 177.43 176.43 2p75 h ARG 15 N -0.77 0.14 0.00 6.67 0.11 -1.57 -2.83 114.38 116.13 2p75 h ARG 15 Ca -0.00 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.99 2p75 h ARG 15 Cb 0.74 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2p75 h ARG 15 CO 0.00 0.64 0.00 0.39 0.10 0.00 0.00 179.97 181.10 2p75 n GLU 16 N -3.92 0.09 -3.17 0.08 1.02 -0.66 -4.95 120.64 109.13 2p75 n GLU 16 Ca -0.02 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.07 2p75 n GLU 16 Cb 0.55 -1.61 0.06 0.00 -0.02 0.00 0.00 31.44 30.43 2p75 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2p75 n GLY 17 N 1.33 -0.15 3.53 0.62 0.00 -0.60 -4.88 105.19 105.05 2p75 n GLY 17 Ca 0.06 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2p75 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p75 s ARG 18 N -5.46 2.35 0.03 1.61 0.52 -0.42 -1.12 118.95 116.46 2p75 s ARG 18 Ca 0.20 -0.83 -0.30 0.00 -0.52 0.00 0.00 55.73 54.28 2p75 s ARG 18 Cb -0.09 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 32.94 2p75 s ARG 18 CO 0.53 0.58 1.65 -0.51 0.02 0.00 0.00 175.30 177.57 2p75 s LEU 19 N -1.41 4.35 -0.29 2.53 1.43 -0.03 -4.71 118.68 120.55 2p75 s LEU 19 Ca 0.16 2.40 0.03 0.00 -1.03 0.00 0.00 54.13 55.68 2p75 s LEU 19 Cb -0.11 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.63 2p75 s LEU 19 CO 0.06 -0.89 -0.04 -0.22 0.23 0.00 0.00 176.35 175.49 2p75 s LEU 20 N 3.12 3.98 0.00 1.79 2.96 -1.26 0.08 118.68 129.35 2p75 s LEU 20 Ca 0.74 -1.65 0.00 0.00 -0.22 0.00 0.00 54.13 52.99 2p75 s LEU 20 Cb -0.37 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.72 2p75 s LEU 20 CO 0.32 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 2p75 n GLY 21 N 4.39 0.55 0.46 7.98 0.00 -1.26 -4.90 105.19 112.41 2p75 n GLY 21 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2p75 n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2p75 n TRP 22 N 0.00 0.05 -1.99 1.61 7.02 -1.26 -4.66 117.44 118.21 2p75 n TRP 22 Ca 0.00 -0.02 -0.42 0.00 -1.02 0.00 0.00 57.50 56.04 2p75 n TRP 22 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 2p75 n TRP 22 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2p75 s THR 23 N -1.95 3.05 -1.16 -0.99 2.01 -1.26 -4.90 115.64 110.43 2p75 s THR 23 Ca 0.37 0.59 -0.14 0.00 0.31 0.00 0.00 61.69 62.82 2p75 s THR 23 Cb 0.20 -3.38 0.17 0.00 0.01 0.00 0.00 72.50 69.50 2p75 s THR 23 CO 0.32 0.01 1.37 -0.62 -0.69 0.00 0.00 174.62 175.01 2p75 s ASP 24 N 1.94 7.02 0.25 3.53 2.15 -1.26 -5.01 116.67 125.29 2p75 s ASP 24 Ca 0.71 -2.89 -0.02 0.00 0.43 0.00 0.00 52.55 50.78 2p75 s ASP 24 Cb -0.39 -2.39 -0.04 0.00 -0.30 0.00 0.00 42.92 39.79 2p75 s ASP 24 CO 0.31 -0.77 0.47 -0.76 -0.17 0.00 0.00 175.17 174.26 2p75 s LEU 25 N 1.57 4.14 0.54 -1.34 1.43 -1.26 -4.94 118.68 118.82 2p75 s LEU 25 Ca 0.40 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2p75 s LEU 25 Cb -0.04 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 42.88 2p75 s LEU 25 CO -0.02 -0.13 0.79 -2.16 0.23 0.00 0.00 176.35 175.07 2p75 s PRO 26 N -3.54 2.86 0.65 1.29 0.04 -1.26 -3.54 135.00 131.51 2p75 s PRO 26 Ca 0.41 -0.35 -0.14 0.00 0.04 0.00 0.00 61.00 60.96 2p75 s PRO 26 Cb -0.11 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 2p75 s PRO 26 CO 0.30 -0.57 1.07 -0.51 0.04 0.00 0.00 177.00 177.34 2p75 s LEU 27 N -4.79 3.34 0.75 -3.56 1.43 -1.26 -4.50 118.68 110.09 2p75 s LEU 27 Ca 0.53 1.80 -0.04 0.00 -1.03 0.00 0.00 54.13 55.38 2p75 s LEU 27 Cb -0.10 -4.53 0.13 0.00 0.03 0.00 0.00 46.19 41.72 2p75 s LEU 27 CO 0.41 -1.41 1.04 0.42 0.23 0.00 0.00 176.35 177.05 2p75 s THR 28 N -2.63 2.17 0.23 5.49 -4.23 -0.64 -4.86 115.64 111.17 2p75 s THR 28 Ca 0.63 -0.44 -0.08 0.00 -1.18 0.00 0.00 61.69 60.62 2p75 s THR 28 Cb -0.16 -2.73 0.20 0.00 1.34 0.00 0.00 72.50 71.15 2p75 s THR 28 CO 0.44 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.41 2p75 h ALA 29 N -0.71 1.12 -0.21 3.99 0.00 -1.97 -1.06 119.26 120.42 2p75 h ALA 29 Ca -0.39 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2p75 h ALA 29 Cb 1.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2p75 h ALA 29 CO 0.43 0.45 -0.31 1.49 0.00 0.00 0.00 179.25 181.32 2p75 h GLU 30 N 1.13 0.43 -0.70 0.00 4.57 -1.93 -1.63 114.58 116.45 2p75 h GLU 30 Ca 0.33 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2p75 h GLU 30 Cb -0.07 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 2p75 h GLU 30 CO -0.09 0.69 0.27 0.78 -1.18 0.00 0.00 179.01 179.48 2p75 h GLY 31 N 1.06 1.11 1.40 1.92 0.00 -1.39 0.44 103.07 107.61 2p75 h GLY 31 Ca 0.05 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 2p75 h GLY 31 CO 0.06 0.55 -0.49 0.83 0.00 0.00 0.00 176.54 177.48 2p75 h GLU 32 N 1.01 0.64 -0.72 4.80 5.08 -0.85 -1.85 114.58 122.70 2p75 h GLU 32 Ca 0.23 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2p75 h GLU 32 Cb 0.20 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2p75 h GLU 32 CO -0.02 0.99 0.24 0.00 -1.00 0.00 0.00 179.01 179.22 2p75 h ALA 33 N 0.95 0.94 -0.71 3.43 0.00 -0.73 -0.67 119.26 122.46 2p75 h ALA 33 Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2p75 h ALA 33 Cb 1.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2p75 h ALA 33 CO 0.10 0.60 0.34 1.96 0.00 0.00 0.00 179.25 182.25 2p75 h GLN 34 N 1.05 1.02 -0.60 0.00 4.20 -0.75 -2.08 115.11 117.95 2p75 h GLN 34 Ca 0.23 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 2p75 h GLN 34 Cb 0.28 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2p75 h GLN 34 CO -0.01 0.81 0.20 0.00 -0.67 0.00 0.00 178.83 179.16 2p75 h ALA 35 N 1.16 0.79 0.00 3.87 0.00 -0.84 -2.59 119.26 121.66 2p75 h ALA 35 Ca 0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2p75 h ALA 35 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2p75 h ALA 35 CO -0.03 0.44 -0.23 0.00 0.00 0.00 0.00 179.25 179.43 2p75 h ARG 36 N 0.85 0.00 0.00 0.00 3.08 -0.81 -1.92 114.38 115.58 2p75 h ARG 36 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2p75 h ARG 36 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2p75 h ARG 36 CO -0.01 0.23 0.00 0.00 -1.07 0.00 0.00 179.97 179.12 2p75 h ARG 37 N 0.00 0.00 0.00 0.04 3.08 -0.97 -2.64 114.38 113.89 2p75 h ARG 37 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2p75 h ARG 37 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2p75 h ARG 37 CO 0.03 0.00 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.70 2p75 h LEU 38 N 0.00 0.00 -9.40 3.04 3.38 -1.31 -3.43 115.31 107.58 2p75 h LEU 38 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2p75 h LEU 38 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 2p75 h LEU 38 CO 0.00 0.06 1.13 -0.75 0.09 0.00 0.00 178.44 178.98 2p75 s LYS 39 N -3.19 4.16 0.00 1.13 2.20 -1.00 -1.28 119.74 121.75 2p75 s LYS 39 Ca 0.06 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 2p75 s LYS 39 Cb 0.06 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2p75 s LYS 39 CO 0.69 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 2p75 n GLY 40 N 4.29 3.38 0.09 5.54 0.00 -1.26 -4.85 105.19 112.38 2p75 n GLY 40 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 2p75 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p75 h ALA 41 N 0.00 0.53 -2.31 4.61 0.00 -1.46 -3.46 119.26 117.18 2p75 h ALA 41 Ca 0.00 -1.27 -0.49 0.00 0.00 0.00 0.00 54.91 53.15 2p75 h ALA 41 Cb 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2p75 h ALA 41 CO 0.00 1.38 0.15 -1.64 0.00 0.00 0.00 179.25 179.15 2p75 s MET 42 N -2.62 4.11 0.61 0.00 -1.94 -1.15 -5.05 119.30 113.26 2p75 s MET 42 Ca -0.07 0.81 -0.16 0.00 -1.71 0.00 0.00 55.69 54.56 2p75 s MET 42 Cb 0.08 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 2p75 s MET 42 CO 0.83 0.17 1.09 -1.25 -0.01 0.00 0.00 175.02 175.84 2p75 s PRO 43 N -2.81 3.12 -1.51 2.03 0.04 -1.26 -4.90 135.00 129.71 2p75 s PRO 43 Ca 0.54 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 2p75 s PRO 43 Cb -0.11 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2p75 s PRO 43 CO 0.17 -0.99 2.51 -1.13 0.04 0.00 0.00 177.00 177.61 2p75 n SER 44 N -2.04 5.78 -4.83 6.66 3.41 -1.26 -4.91 113.62 116.42 2p75 n SER 44 Ca 0.10 -2.73 -0.21 0.00 -0.26 0.00 0.00 58.87 55.77 2p75 n SER 44 Cb 0.52 -1.61 -0.04 0.00 -0.26 0.00 0.00 64.21 62.83 2p75 n SER 44 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2p75 s LEU 45 N 1.37 3.50 0.45 1.04 1.43 -1.26 -5.07 118.68 120.14 2p75 s LEU 45 Ca 0.56 -0.59 -0.25 0.00 -1.03 0.00 0.00 54.13 52.82 2p75 s LEU 45 Cb 0.16 -2.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 2p75 s LEU 45 CO -0.07 -0.39 1.29 -2.65 0.23 0.00 0.00 176.35 174.76 2p75 n PRO 46 N -1.36 1.91 -5.04 1.29 -0.02 -1.26 -4.61 135.00 125.91 2p75 n PRO 46 Ca -0.01 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 2p75 n PRO 46 Cb 0.60 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.51 2p75 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p75 s ALA 47 N -1.22 2.35 0.07 3.55 0.00 -1.26 -1.33 121.76 123.91 2p75 s ALA 47 Ca 0.63 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.51 2p75 s ALA 47 Cb -0.48 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2p75 s ALA 47 CO 0.56 0.54 -0.15 -0.06 0.00 0.00 0.00 175.76 176.65 2p75 s PHE 48 N -0.73 1.32 0.02 0.00 0.08 -0.55 -1.56 117.98 116.57 2p75 s PHE 48 Ca 0.11 -0.42 -0.10 0.00 0.12 0.00 0.00 56.93 56.64 2p75 s PHE 48 Cb -0.10 -0.75 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 2p75 s PHE 48 CO 0.01 0.07 0.21 0.45 -0.10 0.00 0.00 175.22 175.87 2p75 s SER 49 N -1.59 -0.03 0.61 1.36 0.15 -0.44 -0.52 113.70 113.25 2p75 s SER 49 Ca 0.00 -0.23 -0.19 0.00 0.70 0.00 0.00 55.95 56.24 2p75 s SER 49 Cb -0.09 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.47 2p75 s SER 49 CO 0.02 -0.50 1.25 -0.55 1.20 0.00 0.00 173.24 174.66 2p75 s SER 50 N -1.79 4.95 0.00 5.45 0.15 -0.39 -0.83 113.70 121.25 2p75 s SER 50 Ca -0.09 2.51 0.29 0.00 0.70 0.00 0.00 55.95 59.36 2p75 s SER 50 Cb -0.03 -2.61 1.36 0.00 -1.71 0.00 0.00 66.02 63.03 2p75 s SER 50 CO -0.01 -1.76 1.96 -0.90 1.20 0.00 0.00 173.24 173.73 2p75 n ASP 51 N -1.69 0.11 -4.77 5.45 5.75 -1.25 -3.76 116.55 116.40 2p75 n ASP 51 Ca 0.14 -0.10 -0.39 0.00 -0.01 0.00 0.00 54.79 54.43 2p75 n ASP 51 Cb 0.49 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.30 2p75 n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2p75 s LEU 52 N -2.66 4.24 0.21 -2.12 1.43 -1.26 -4.79 118.68 113.72 2p75 s LEU 52 Ca 0.25 2.59 -0.17 0.00 -1.03 0.00 0.00 54.13 55.78 2p75 s LEU 52 Cb 0.20 -3.89 0.20 0.00 0.03 0.00 0.00 46.19 42.73 2p75 s LEU 52 CO 0.49 -0.77 1.60 0.25 0.23 0.00 0.00 176.35 178.15 2p75 h LEU 53 N 2.77 -0.92 -1.63 1.79 5.85 -1.89 -1.44 115.31 119.84 2p75 h LEU 53 Ca -0.49 0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.50 2p75 h LEU 53 Cb 1.24 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 2p75 h LEU 53 CO 0.63 -0.27 0.33 0.08 -0.34 0.00 0.00 178.44 178.86 2p75 h ARG 54 N -0.08 0.46 0.03 1.25 0.11 -1.92 -0.32 114.38 113.90 2p75 h ARG 54 Ca 0.29 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.34 2p75 h ARG 54 Cb 0.54 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2p75 h ARG 54 CO -0.71 0.30 -0.01 0.00 0.10 0.00 0.00 179.97 179.65 2p75 h ALA 55 N 1.73 -0.04 0.00 0.08 0.00 -1.58 -2.90 119.26 116.55 2p75 h ALA 55 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2p75 h ALA 55 Cb 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2p75 h ALA 55 CO -0.05 -0.08 -0.03 0.07 0.00 0.00 0.00 179.25 179.16 2p75 h ARG 56 N -0.92 0.00 -0.18 0.00 0.11 -1.27 -1.20 114.38 110.93 2p75 h ARG 56 Ca -0.00 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.94 2p75 h ARG 56 Cb 0.72 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.79 2p75 h ARG 56 CO 0.01 0.03 -0.46 -0.09 0.10 0.00 0.00 179.97 179.56 2p75 h ARG 57 N 0.00 0.45 -0.41 0.08 9.65 -1.16 -0.95 114.38 122.05 2p75 h ARG 57 Ca -0.00 -0.24 -0.07 0.00 -1.10 0.00 0.00 59.98 58.56 2p75 h ARG 57 Cb 0.64 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2p75 h ARG 57 CO 0.00 0.82 -0.03 1.15 2.80 0.00 0.00 179.97 184.71 2p75 h THR 58 N 0.37 1.27 -0.69 0.20 2.02 -1.12 -1.70 112.91 113.26 2p75 h THR 58 Ca 0.02 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2p75 h THR 58 Cb 0.94 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 2p75 h THR 58 CO 0.08 0.36 0.44 0.00 0.37 0.00 0.00 175.52 176.77 2p75 h ALA 59 N 0.87 0.88 -0.09 6.16 0.00 -0.97 -1.25 119.26 124.86 2p75 h ALA 59 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2p75 h ALA 59 Cb 0.53 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2p75 h ALA 59 CO 0.03 0.32 0.04 1.49 0.00 0.00 0.00 179.25 181.13 2p75 h GLU 60 N 0.94 0.14 0.00 0.00 4.81 -0.98 -0.66 114.58 118.82 2p75 h GLU 60 Ca 0.25 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2p75 h GLU 60 Cb -0.07 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2p75 h GLU 60 CO -0.05 0.24 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.32 2p75 h LEU 61 N -0.00 0.00 -0.22 1.64 3.38 -1.17 -1.32 115.31 117.63 2p75 h LEU 61 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2p75 h LEU 61 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2p75 h LEU 61 CO -0.00 0.08 -0.03 0.00 0.09 0.00 0.00 178.44 178.57 2p75 n ALA 62 N -2.17 2.66 -0.37 1.53 0.00 -0.48 -4.16 120.51 117.51 2p75 n ALA 62 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2p75 n ALA 62 Cb 0.28 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2p75 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p75 n GLY 63 N 1.16 0.78 3.71 0.00 0.00 -0.50 -3.90 105.19 106.44 2p75 n GLY 63 Ca 0.19 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2p75 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p75 s PHE 64 N -2.00 2.77 -0.54 1.61 0.40 -0.28 -5.02 117.98 114.92 2p75 s PHE 64 Ca 0.00 -0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.13 2p75 s PHE 64 Cb 0.00 -1.39 0.21 0.00 0.51 0.00 0.00 43.02 42.35 2p75 s PHE 64 CO 0.00 0.50 0.52 0.45 0.70 0.00 0.00 175.22 177.39 2p75 n SER 65 N -1.04 1.60 -4.80 1.36 2.88 -1.26 -3.90 113.62 108.46 2p75 n SER 65 Ca -0.05 -2.92 -0.32 0.00 -1.33 0.00 0.00 58.87 54.24 2p75 n SER 65 Cb 0.60 -0.65 0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2p75 n SER 65 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2p75 s PRO 66 N -1.25 3.08 0.05 -1.46 0.04 -1.26 -4.85 135.00 129.36 2p75 s PRO 66 Ca 0.33 1.20 -0.23 0.00 0.04 0.00 0.00 61.00 62.34 2p75 s PRO 66 Cb 0.08 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2p75 s PRO 66 CO -0.13 -1.00 0.68 0.50 0.04 0.00 0.00 177.00 177.10 2p75 s ARG 67 N -4.29 4.41 -0.01 4.56 3.52 -0.60 -4.85 118.95 121.68 2p75 s ARG 67 Ca 0.63 0.93 -0.20 0.00 -0.13 0.00 0.00 55.73 56.96 2p75 s ARG 67 Cb -0.17 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 2p75 s ARG 67 CO 0.42 0.41 0.56 -0.51 -0.81 0.00 0.00 175.30 175.37 2p75 s LEU 68 N -0.43 4.41 -0.06 -0.88 1.43 -1.26 -1.33 118.68 120.56 2p75 s LEU 68 Ca 0.34 1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 54.54 2p75 s LEU 68 Cb -0.20 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.19 2p75 s LEU 68 CO 0.21 0.13 0.02 -0.31 0.23 0.00 0.00 176.35 176.62 2p75 s TYR 69 N -0.25 0.49 0.49 0.29 2.02 -0.01 -4.92 117.35 115.46 2p75 s TYR 69 Ca 0.30 -0.04 0.40 0.00 -0.37 0.00 0.00 57.07 57.35 2p75 s TYR 69 Cb -0.18 -0.70 2.06 0.00 -0.40 0.00 0.00 41.96 42.74 2p75 s TYR 69 CO 0.16 -0.29 2.24 -1.35 -1.57 0.00 0.00 175.55 174.75 2p75 h PRO 70 N 8.33 0.00 0.00 -1.71 0.11 -1.94 -2.24 132.00 134.55 2p75 h PRO 70 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2p75 h PRO 70 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2p75 h PRO 70 CO 0.23 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 178.96 2p75 h GLU 71 N 0.00 0.00 -0.36 1.05 3.07 -1.94 -1.05 114.58 115.35 2p75 h GLU 71 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2p75 h GLU 71 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2p75 h GLU 71 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 2p75 n LEU 72 N -3.06 2.26 -4.76 1.33 4.77 -0.84 -4.46 117.00 112.23 2p75 n LEU 72 Ca -0.03 -1.07 -0.32 0.00 -0.03 0.00 0.00 56.01 54.56 2p75 n LEU 72 Cb 0.09 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.02 2p75 n LEU 72 CO 0.20 0.53 0.72 -0.13 -1.33 0.00 0.00 177.39 177.39 2p75 s ARG 73 N -1.53 2.43 1.00 3.23 0.52 -0.40 -4.29 118.95 119.91 2p75 s ARG 73 Ca 0.31 1.29 -0.12 0.00 -0.52 0.00 0.00 55.73 56.69 2p75 s ARG 73 Cb 0.17 -1.91 0.19 0.00 0.52 0.00 0.00 34.95 33.91 2p75 s ARG 73 CO 0.23 -1.53 1.08 -2.00 0.02 0.00 0.00 175.30 173.10 2p75 s GLU 74 N -4.55 0.40 0.53 3.54 2.56 -1.26 -4.83 118.70 115.10 2p75 s GLU 74 Ca 0.64 0.90 -0.21 0.00 0.00 0.00 0.00 54.97 56.30 2p75 s GLU 74 Cb -0.19 -1.70 -0.05 0.00 2.00 0.00 0.00 34.13 34.18 2p75 s GLU 74 CO 0.50 -2.85 1.24 -1.50 -0.56 0.00 0.00 175.26 172.08 2p75 s ILE 75 N -2.74 2.64 -0.44 -3.70 2.07 -1.26 -4.75 121.20 113.01 2p75 s ILE 75 Ca 0.66 0.45 -0.26 0.00 -1.41 0.00 0.00 60.65 60.08 2p75 s ILE 75 Cb -0.21 -3.21 0.02 0.00 0.13 0.00 0.00 42.46 39.19 2p75 s ILE 75 CO 0.60 -0.04 0.96 -2.28 -1.91 0.00 0.00 174.94 172.27 2p75 s HIS 76 N -1.50 2.94 -1.65 3.50 5.65 -1.26 -4.21 115.29 118.76 2p75 s HIS 76 Ca 0.71 0.54 0.24 0.00 0.25 0.00 0.00 55.06 56.80 2p75 s HIS 76 Cb -0.32 -3.97 1.31 0.00 -1.18 0.00 0.00 32.58 28.42 2p75 s HIS 76 CO 0.38 -1.06 1.81 1.19 -0.65 0.00 0.00 174.74 176.41 2p75 n PHE 77 N 7.18 0.00 0.00 3.88 3.72 -1.26 -0.78 117.46 130.20 2p75 n PHE 77 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2p75 n PHE 77 Cb 0.48 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 2p75 n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2p75 n GLY 78 N 0.67 3.46 0.22 1.37 0.00 -1.26 -0.93 105.19 108.72 2p75 n GLY 78 Ca 0.14 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.26 2p75 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p75 h ALA 79 N -0.81 1.00 -0.01 4.61 0.00 -0.87 -1.74 119.26 121.44 2p75 h ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2p75 h ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2p75 h ALA 79 CO 0.00 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.52 2p75 n LEU 80 N -2.57 0.96 -4.68 0.00 4.77 -0.10 -4.86 117.00 110.52 2p75 n LEU 80 Ca -0.01 -0.31 -0.46 0.00 -0.03 0.00 0.00 56.01 55.20 2p75 n LEU 80 Cb 0.11 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 2p75 n LEU 80 CO 0.16 0.16 1.30 -0.62 -1.33 0.00 0.00 177.39 177.06 2p75 n GLU 81 N -0.28 2.29 -0.79 3.23 -0.58 -0.66 -1.32 120.64 122.54 2p75 n GLU 81 Ca 0.20 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.77 2p75 n GLU 81 Cb 0.27 -2.64 0.00 0.00 -0.57 0.00 0.00 31.44 28.51 2p75 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p75 n GLY 82 N 3.75 1.23 3.76 0.62 0.00 0.11 -4.96 105.19 109.69 2p75 n GLY 82 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2p75 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p75 s ALA 83 N -3.71 3.48 0.11 4.61 0.00 -0.43 -4.53 121.76 121.29 2p75 s ALA 83 Ca 0.00 1.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.81 2p75 s ALA 83 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 2p75 s ALA 83 CO 0.00 -0.52 1.32 -0.51 0.00 0.00 0.00 175.76 176.05 2p75 s LEU 84 N -1.53 4.38 0.19 0.00 1.43 -1.26 -0.85 118.68 121.03 2p75 s LEU 84 Ca 0.49 2.24 -0.12 0.00 -1.03 0.00 0.00 54.13 55.71 2p75 s LEU 84 Cb -0.38 -3.59 0.18 0.00 0.03 0.00 0.00 46.19 42.44 2p75 s LEU 84 CO 0.49 -0.58 1.78 -0.25 0.23 0.00 0.00 176.35 178.01 2p75 h TRP 85 N 6.66 0.48 -0.84 0.29 2.91 -1.46 -2.69 115.95 121.29 2p75 h TRP 85 Ca -0.42 0.02 0.21 0.00 1.13 0.00 0.00 58.89 59.83 2p75 h TRP 85 Cb 1.21 -0.13 -0.15 0.00 -0.51 0.00 0.00 29.16 29.58 2p75 h TRP 85 CO 0.66 0.21 0.08 1.49 -1.03 0.00 0.00 178.44 179.85 2p75 h GLU 86 N 0.50 0.11 -0.67 2.65 4.81 -1.91 -1.70 114.58 118.38 2p75 h GLU 86 Ca 0.25 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2p75 h GLU 86 Cb 0.20 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2p75 h GLU 86 CO -0.19 0.07 0.00 0.25 -0.73 0.00 0.00 179.01 178.41 2p75 n THR 87 N -5.34 1.30 -2.17 0.32 -2.24 -1.03 -4.97 114.28 100.16 2p75 n THR 87 Ca 0.18 -1.01 -0.41 0.00 -2.27 0.00 0.00 64.05 60.54 2p75 n THR 87 Cb 0.60 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2p75 n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2p75 s LEU 88 N -1.36 4.43 0.23 3.22 2.96 -0.64 -4.93 118.68 122.59 2p75 s LEU 88 Ca 0.47 2.57 -0.31 0.00 -0.22 0.00 0.00 54.13 56.64 2p75 s LEU 88 Cb 0.27 -3.63 -0.14 0.00 0.50 0.00 0.00 46.19 43.19 2p75 s LEU 88 CO 0.28 -0.51 1.26 -0.67 -1.32 0.00 0.00 176.35 175.38 2p75 n ASP 89 N 1.50 2.04 -0.37 3.68 -0.08 -1.26 -4.64 116.55 117.42 2p75 n ASP 89 Ca 0.02 1.15 0.31 0.00 -1.51 0.00 0.00 54.79 54.77 2p75 n ASP 89 Cb 0.42 -1.33 0.63 0.00 2.34 0.00 0.00 41.12 43.18 2p75 n ASP 89 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2p75 h PRO 90 N 3.54 0.18 -0.45 -0.67 0.11 -1.98 0.18 132.00 132.91 2p75 h PRO 90 Ca -0.44 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 2p75 h PRO 90 Cb 1.31 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2p75 h PRO 90 CO 0.71 0.12 -0.12 0.07 -0.21 0.00 0.00 178.00 178.57 2p75 h ARG 91 N 0.19 0.83 -0.03 1.05 0.11 -1.99 0.74 114.38 115.27 2p75 h ARG 91 Ca 0.66 -0.29 -0.25 0.00 0.10 0.00 0.00 59.98 60.20 2p75 h ARG 91 Cb 2.10 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 33.14 2p75 h ARG 91 CO -0.22 0.91 -0.96 1.88 0.10 0.00 0.00 179.97 181.67 2p75 h TYR 92 N 0.74 0.96 -0.21 4.08 0.05 -1.02 -1.59 116.97 119.98 2p75 h TYR 92 Ca 0.12 -0.50 0.01 0.00 0.05 0.00 0.00 58.73 58.41 2p75 h TYR 92 Cb 0.63 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2p75 h TYR 92 CO 0.03 1.33 0.13 0.87 -1.05 0.00 0.00 178.16 179.47 2p75 h LYS 93 N 0.40 0.25 -0.51 4.88 1.57 -1.04 -0.28 116.57 121.85 2p75 h LYS 93 Ca -0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2p75 h LYS 93 Cb 1.60 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 2p75 h LYS 93 CO 0.19 0.17 0.20 1.49 -0.57 0.00 0.00 179.45 180.93 2p75 h GLU 94 N 0.26 0.76 -0.72 3.15 4.81 -0.87 0.24 114.58 122.21 2p75 h GLU 94 Ca 0.08 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2p75 h GLU 94 Cb -0.02 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 2p75 h GLU 94 CO -0.03 0.67 0.46 0.00 -0.73 0.00 0.00 179.01 179.39 2p75 h ALA 95 N 1.05 0.94 -0.02 2.92 0.00 -0.97 0.39 119.26 123.57 2p75 h ALA 95 Ca 0.17 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 2p75 h ALA 95 Cb 0.20 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2p75 h ALA 95 CO -0.01 0.27 -0.99 -0.07 0.00 0.00 0.00 179.25 178.46 2p75 h LEU 96 N 0.92 0.82 -0.37 0.00 3.38 -0.82 0.17 115.31 119.41 2p75 h LEU 96 Ca 0.28 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2p75 h LEU 96 Cb -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2p75 h LEU 96 CO -0.09 1.44 0.11 -0.07 0.09 0.00 0.00 178.44 179.92 2p75 h LEU 97 N 0.37 0.54 -0.09 1.67 3.38 -0.28 -2.60 115.31 118.31 2p75 h LEU 97 Ca -0.11 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2p75 h LEU 97 Cb 1.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2p75 h LEU 97 CO 0.19 0.60 -0.22 0.54 0.09 0.00 0.00 178.44 179.64 2p75 n ARG 98 N -4.63 0.23 -3.50 1.13 1.74 0.11 -4.96 116.66 106.79 2p75 n ARG 98 Ca -0.01 -0.09 -0.22 0.00 -0.77 0.00 0.00 57.85 56.77 2p75 n ARG 98 Cb 0.18 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.17 2p75 n ARG 98 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2p75 n PHE 99 N -1.31 -2.15 -3.58 -1.55 7.35 0.32 -5.01 117.46 111.53 2p75 n PHE 99 Ca 0.09 0.73 -0.13 0.00 -0.76 0.00 0.00 57.45 57.39 2p75 n PHE 99 Cb 0.32 -4.05 -0.06 0.00 0.35 0.00 0.00 39.48 36.04 2p75 n PHE 99 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2p75 s GLN 100 N -5.30 0.73 -1.24 -4.13 -2.07 0.31 -5.00 119.66 102.96 2p75 s GLN 100 Ca 0.33 0.36 -0.02 0.00 -1.82 0.00 0.00 55.36 54.21 2p75 s GLN 100 Cb -0.08 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 32.18 2p75 s GLN 100 CO 0.79 -0.19 0.82 0.41 -1.32 0.00 0.00 175.29 175.80 2p75 n GLY 101 N 1.28 -0.44 3.39 2.60 0.00 -1.26 -4.41 105.19 106.35 2p75 n GLY 101 Ca -0.13 0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2p75 n GLY 101 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2p75 s PHE 102 N -3.53 3.15 -0.53 1.61 5.36 -1.26 -4.81 117.98 117.96 2p75 s PHE 102 Ca 0.07 -0.75 0.05 0.00 -0.96 0.00 0.00 56.93 55.35 2p75 s PHE 102 Cb -0.02 -2.29 0.19 0.00 -0.34 0.00 0.00 43.02 40.57 2p75 s PHE 102 CO 0.78 -0.50 0.47 0.72 -1.46 0.00 0.00 175.22 175.23 2p75 n HIS 103 N 4.92 1.07 -2.33 10.12 8.25 -1.26 -1.93 115.22 134.07 2p75 n HIS 103 Ca -0.15 -3.78 -0.41 0.00 -0.26 0.00 0.00 57.72 53.13 2p75 n HIS 103 Cb 0.49 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 2p75 n HIS 103 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2p75 s PRO 104 N -0.94 4.48 0.22 -0.41 0.04 -1.26 -4.97 135.00 132.16 2p75 s PRO 104 Ca 0.32 1.94 -0.31 0.00 0.04 0.00 0.00 61.00 62.99 2p75 s PRO 104 Cb 0.05 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.27 2p75 s PRO 104 CO -0.15 -0.09 1.56 -2.14 0.04 0.00 0.00 177.00 176.22 2p75 s PRO 105 N -0.53 4.20 -0.01 0.56 0.02 -1.26 -2.01 135.00 135.96 2p75 s PRO 105 Ca 0.52 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.97 2p75 s PRO 105 Cb -0.34 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.07 2p75 s PRO 105 CO 0.39 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 2p75 n GLY 106 N 3.10 0.33 0.00 0.52 0.00 -1.26 -0.27 105.19 107.61 2p75 n GLY 106 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2p75 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p75 n GLY 107 N -1.58 6.20 3.82 -0.02 0.00 -0.85 -4.27 105.19 108.49 2p75 n GLY 107 Ca -0.00 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 2p75 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p75 s GLU 108 N 1.18 3.82 0.62 1.61 2.02 0.04 -4.83 118.70 123.16 2p75 s GLU 108 Ca 0.00 0.03 -0.12 0.00 0.02 0.00 0.00 54.97 54.90 2p75 s GLU 108 Cb 0.00 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 2p75 s GLU 108 CO 0.00 0.58 1.03 -1.54 0.02 0.00 0.00 175.26 175.35 2p75 s SER 109 N -0.53 6.10 0.38 -0.19 1.04 -1.26 -4.43 113.70 114.82 2p75 s SER 109 Ca 0.16 1.50 0.07 0.00 0.48 0.00 0.00 55.95 58.17 2p75 s SER 109 Cb -0.13 -2.48 0.76 0.00 0.10 0.00 0.00 66.02 64.27 2p75 s SER 109 CO 0.05 -0.95 1.95 -0.07 0.98 0.00 0.00 173.24 175.20 2p75 h LEU 110 N -0.16 0.38 -0.62 2.42 3.38 -1.79 -1.07 115.31 117.85 2p75 h LEU 110 Ca -0.45 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2p75 h LEU 110 Cb 1.19 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2p75 h LEU 110 CO 0.61 0.42 0.25 0.77 0.09 0.00 0.00 178.44 180.57 2p75 h SER 111 N 0.41 0.86 -0.19 -0.43 4.64 -1.92 0.68 113.55 117.60 2p75 h SER 111 Ca 0.09 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.11 2p75 h SER 111 Cb 0.22 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2p75 h SER 111 CO 0.00 0.79 -0.36 0.00 -0.87 0.00 0.00 176.83 176.40 2p75 h ALA 112 N 1.10 0.79 -0.14 5.18 0.00 -1.79 -1.89 119.26 122.50 2p75 h ALA 112 Ca 0.21 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2p75 h ALA 112 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2p75 h ALA 112 CO -0.02 0.65 0.06 0.35 0.00 0.00 0.00 179.25 180.29 2p75 h PHE 113 N 0.59 0.21 -0.51 0.00 3.57 -0.88 -1.29 116.94 118.64 2p75 h PHE 113 Ca 0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2p75 h PHE 113 Cb 0.88 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 2p75 h PHE 113 CO 0.04 0.28 0.28 1.96 -2.23 0.00 0.00 178.31 178.64 2p75 h GLN 114 N 0.09 0.72 -0.54 1.11 4.20 -0.78 -0.62 115.11 119.28 2p75 h GLN 114 Ca 0.05 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2p75 h GLN 114 Cb 0.15 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 2p75 h GLN 114 CO -0.00 0.56 0.31 1.49 -0.67 0.00 0.00 178.83 180.52 2p75 h GLU 115 N 0.69 0.60 0.05 1.46 4.57 -1.19 0.12 114.58 120.87 2p75 h GLU 115 Ca 0.18 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2p75 h GLU 115 Cb 0.05 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2p75 h GLU 115 CO -0.03 0.40 -0.03 -0.09 -1.18 0.00 0.00 179.01 178.07 2p75 h ARG 116 N 0.62 -0.08 0.03 1.92 2.43 -0.89 -0.46 114.38 117.94 2p75 h ARG 116 Ca 0.22 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2p75 h ARG 116 Cb 0.06 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2p75 h ARG 116 CO -0.11 -0.05 -0.01 0.28 -1.51 0.00 0.00 179.97 178.56 2p75 h VAL 117 N -0.08 1.14 -0.06 0.20 2.07 -0.79 -2.42 116.25 116.31 2p75 h VAL 117 Ca -0.00 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 2p75 h VAL 117 Cb 0.07 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2p75 h VAL 117 CO 0.00 0.13 -0.35 -0.26 0.02 0.00 0.00 177.57 177.12 2p75 h PHE 118 N -0.26 0.13 -0.39 1.57 0.04 -0.77 -1.31 116.94 115.95 2p75 h PHE 118 Ca -0.00 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.62 2p75 h PHE 118 Cb 0.25 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 2p75 h PHE 118 CO 0.00 0.45 -0.24 0.00 -0.60 0.00 0.00 178.31 177.93 2p75 h ARG 119 N 0.10 0.78 -0.35 1.51 3.08 -1.05 -1.36 114.38 117.08 2p75 h ARG 119 Ca 0.01 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 2p75 h ARG 119 Cb 0.67 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2p75 h ARG 119 CO 0.05 0.94 0.05 0.35 -1.07 0.00 0.00 179.97 180.29 2p75 h PHE 120 N 0.67 0.63 -0.48 3.04 3.57 -0.92 -2.87 116.94 120.59 2p75 h PHE 120 Ca 0.09 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2p75 h PHE 120 Cb 0.75 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2p75 h PHE 120 CO 0.04 0.65 0.17 -0.07 -2.23 0.00 0.00 178.31 176.86 2p75 h LEU 121 N 0.42 0.63 -1.73 0.59 3.38 -1.04 -2.16 115.31 115.40 2p75 h LEU 121 Ca 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2p75 h LEU 121 Cb 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2p75 h LEU 121 CO 0.01 0.59 -0.16 -0.08 0.09 0.00 0.00 178.44 178.89 2p75 h GLU 122 N 0.68 0.00 0.00 1.13 4.81 -1.04 -2.37 114.58 117.79 2p75 h GLU 122 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2p75 h GLU 122 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2p75 h GLU 122 CO -0.01 0.16 0.00 0.41 -0.73 0.00 0.00 179.01 178.84 2p75 n GLY 123 N -1.01 -1.45 3.67 1.92 0.00 -0.82 -4.78 105.19 102.73 2p75 n GLY 123 Ca -0.02 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2p75 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p75 s LEU 124 N -3.11 4.23 0.00 0.99 1.43 -0.90 -4.92 118.68 116.41 2p75 s LEU 124 Ca 0.13 1.76 0.21 0.00 -1.03 0.00 0.00 54.13 55.19 2p75 s LEU 124 Cb 0.17 -3.55 0.42 0.00 0.03 0.00 0.00 46.19 43.26 2p75 s LEU 124 CO 0.50 -0.67 1.36 0.29 0.23 0.00 0.00 176.35 178.06 2p75 n LYS 125 N 5.86 2.43 -3.44 1.70 4.76 -1.26 -4.98 118.16 123.23 2p75 n LYS 125 Ca 0.12 -2.23 -0.12 0.00 -2.87 0.00 0.00 58.31 53.21 2p75 n LYS 125 Cb 0.45 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.16 2p75 n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2p75 s ALA 126 N -1.30 -1.59 0.39 7.82 0.00 -1.26 -5.14 121.76 120.68 2p75 s ALA 126 Ca 0.36 0.47 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 2p75 s ALA 126 Cb 0.21 0.88 -0.11 0.00 0.00 0.00 0.00 23.12 24.10 2p75 s ALA 126 CO 0.29 -0.78 1.20 -2.30 0.00 0.00 0.00 175.76 174.17 2p75 n PRO 127 N -0.38 1.82 -3.74 0.00 -0.02 -1.26 -4.95 135.00 126.47 2p75 n PRO 127 Ca -0.16 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 2p75 n PRO 127 Cb 0.65 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 2p75 n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p75 s ALA 128 N -1.18 -0.79 -0.17 3.55 0.00 -1.18 -4.27 121.76 117.72 2p75 s ALA 128 Ca 0.60 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 2p75 s ALA 128 Cb -0.54 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2p75 s ALA 128 CO 0.59 -0.73 0.02 0.08 0.00 0.00 0.00 175.76 175.71 2p75 s VAL 129 N -3.87 4.35 -0.24 0.00 1.01 -0.44 -1.19 120.40 120.02 2p75 s VAL 129 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2p75 s VAL 129 Cb 0.01 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2p75 s VAL 129 CO -0.05 0.47 -0.08 -0.76 0.00 0.00 0.00 175.10 174.67 2p75 s LEU 130 N 0.44 3.14 -0.36 3.92 1.43 0.24 -1.48 118.68 126.01 2p75 s LEU 130 Ca -0.00 -0.95 -0.22 0.00 -1.03 0.00 0.00 54.13 51.93 2p75 s LEU 130 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2p75 s LEU 130 CO 0.02 -0.13 0.74 -0.36 0.23 0.00 0.00 176.35 176.85 2p75 s PHE 131 N 1.28 3.13 0.00 0.29 0.08 0.32 -0.42 117.98 122.66 2p75 s PHE 131 Ca -0.01 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.55 2p75 s PHE 131 Cb -0.17 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 2p75 s PHE 131 CO -0.05 -0.70 0.00 -2.37 -0.10 0.00 0.00 175.22 172.00 2p75 n THR 132 N 5.72 0.00 -4.42 0.64 5.66 0.25 -1.26 114.28 120.87 2p75 n THR 132 Ca 0.02 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.81 2p75 n THR 132 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 2p75 n THR 132 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2p75 s HIS 133 N 0.91 1.94 0.25 1.09 3.76 -1.26 -1.85 115.29 120.13 2p75 s HIS 133 Ca 0.00 -0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 2p75 s HIS 133 Cb 0.00 -1.04 0.49 0.00 1.11 0.00 0.00 32.58 33.14 2p75 s HIS 133 CO 0.00 0.35 1.74 0.78 -0.85 0.00 0.00 174.74 176.76 2p75 h GLY 134 N 2.33 1.23 1.50 -2.22 0.00 -1.94 -1.21 103.07 102.78 2p75 h GLY 134 Ca -0.40 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 2p75 h GLY 134 CO 0.65 -0.08 0.07 -1.33 0.00 0.00 0.00 176.54 175.86 2p75 h GLY 135 N 0.50 0.67 0.84 4.60 0.00 -1.97 0.82 103.07 108.55 2p75 h GLY 135 Ca 0.43 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2p75 h GLY 135 CO -0.39 0.35 -0.34 -2.08 0.00 0.00 0.00 176.54 174.09 2p75 h VAL 136 N 0.61 1.35 -0.76 4.60 2.07 -1.58 -0.58 116.25 121.95 2p75 h VAL 136 Ca 0.14 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 2p75 h VAL 136 Cb 0.27 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2p75 h VAL 136 CO 0.00 0.48 0.36 0.58 0.02 0.00 0.00 177.57 179.02 2p75 h VAL 137 N 0.14 1.24 -0.63 2.57 2.07 -1.04 -2.07 116.25 118.53 2p75 h VAL 137 Ca 0.00 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 2p75 h VAL 137 Cb 0.94 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2p75 h VAL 137 CO 0.07 0.29 0.25 -0.09 0.02 0.00 0.00 177.57 178.11 2p75 h ARG 138 N 1.07 0.95 -0.83 1.57 2.43 -0.76 -0.29 114.38 118.52 2p75 h ARG 138 Ca 0.26 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2p75 h ARG 138 Cb 0.12 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2p75 h ARG 138 CO -0.03 0.80 0.54 0.00 -1.51 0.00 0.00 179.97 179.77 2p75 h ALA 139 N 1.10 1.07 -0.07 2.80 0.00 -0.66 0.71 119.26 124.21 2p75 h ALA 139 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2p75 h ALA 139 Cb 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2p75 h ALA 139 CO -0.02 0.41 -0.05 0.28 0.00 0.00 0.00 179.25 179.87 2p75 h VAL 140 N 1.07 1.35 -0.61 0.00 2.07 -1.08 -2.14 116.25 116.91 2p75 h VAL 140 Ca 0.32 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2p75 h VAL 140 Cb -0.06 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2p75 h VAL 140 CO -0.09 0.32 0.32 -0.07 0.02 0.00 0.00 177.57 178.07 2p75 h LEU 141 N -0.26 0.78 -1.15 2.57 3.38 -0.83 -2.16 115.31 117.64 2p75 h LEU 141 Ca 0.01 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2p75 h LEU 141 Cb 0.53 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2p75 h LEU 141 CO 0.01 0.66 -0.34 0.03 0.09 0.00 0.00 178.44 178.89 2p75 h ARG 142 N 0.83 0.14 0.00 1.13 3.08 -0.48 -0.23 114.38 118.86 2p75 h ARG 142 Ca 0.21 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 2p75 h ARG 142 Cb 0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2p75 h ARG 142 CO -0.03 0.47 -0.08 0.00 -1.07 0.00 0.00 179.97 179.26 2p75 h ALA 143 N 1.53 1.02 -0.54 0.04 0.00 -0.95 -1.71 119.26 118.65 2p75 h ALA 143 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2p75 h ALA 143 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2p75 h ALA 143 CO 0.05 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.68 2p75 n LEU 144 N -3.22 4.61 -0.58 0.00 4.77 -0.48 -4.93 117.00 117.17 2p75 n LEU 144 Ca 0.00 -2.33 -0.07 0.00 -0.03 0.00 0.00 56.01 53.58 2p75 n LEU 144 Cb 0.34 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2p75 n LEU 144 CO 0.29 0.66 -0.07 0.61 -1.33 0.00 0.00 177.39 177.56 2p75 n GLY 145 N 0.84 0.80 3.23 -0.72 0.00 -0.64 -4.82 105.19 103.88 2p75 n GLY 145 Ca 0.23 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 2p75 n GLY 145 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p75 s GLU 146 N -2.86 0.99 0.11 1.61 2.02 -0.22 -4.99 118.70 115.36 2p75 s GLU 146 Ca 0.00 -1.18 -0.31 0.00 0.02 0.00 0.00 54.97 53.50 2p75 s GLU 146 Cb 0.00 -0.93 -0.10 0.00 0.10 0.00 0.00 34.13 33.20 2p75 s GLU 146 CO 0.00 0.19 1.86 0.34 0.02 0.00 0.00 175.26 177.66 2p75 s ASP 147 N -2.27 6.43 -0.34 -0.19 2.15 -1.26 -2.38 116.67 118.80 2p75 s ASP 147 Ca 0.07 2.75 0.00 0.00 0.43 0.00 0.00 52.55 55.80 2p75 s ASP 147 Cb -0.06 -2.56 0.32 0.00 -0.30 0.00 0.00 42.92 40.31 2p75 s ASP 147 CO 0.03 -1.02 1.84 0.61 -0.17 0.00 0.00 175.17 176.46 2p75 n GLY 148 N 4.29 4.09 3.40 2.66 0.00 -1.26 -4.83 105.19 113.55 2p75 n GLY 148 Ca 0.18 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 2p75 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p75 s LEU 149 N -2.14 4.93 0.01 0.99 1.43 -1.26 -3.47 118.68 119.18 2p75 s LEU 149 Ca 0.36 -1.00 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 2p75 s LEU 149 Cb 0.29 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2p75 s LEU 149 CO 0.02 -0.43 -0.16 0.68 0.23 0.00 0.00 176.35 176.69 2p75 s VAL 150 N 1.60 1.29 0.67 -1.59 -7.23 -1.26 -5.14 120.40 108.74 2p75 s VAL 150 Ca 0.03 -0.88 -0.17 0.00 -1.81 0.00 0.00 61.98 59.15 2p75 s VAL 150 Cb -0.20 -1.11 -0.00 0.00 0.56 0.00 0.00 36.38 35.63 2p75 s VAL 150 CO 0.08 0.22 1.18 -2.65 -0.31 0.00 0.00 175.10 173.62 2p75 n PRO 151 N 2.29 0.89 -1.76 4.82 -0.02 -1.26 -4.91 135.00 135.05 2p75 n PRO 151 Ca -0.16 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 2p75 n PRO 151 Cb 0.54 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 2p75 n PRO 151 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2p75 n PRO 152 N -1.90 2.38 -1.06 0.52 -0.02 -1.26 -1.79 135.00 131.87 2p75 n PRO 152 Ca 0.15 0.84 -0.02 0.00 -2.02 0.00 0.00 63.50 62.45 2p75 n PRO 152 Cb 0.48 -2.61 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 2p75 n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p75 n GLY 153 N 0.56 0.54 3.85 -1.23 0.00 0.43 -4.80 105.19 104.55 2p75 n GLY 153 Ca 0.04 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 2p75 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p75 s SER 154 N -2.38 4.86 0.12 1.61 1.04 -0.74 -4.79 113.70 113.41 2p75 s SER 154 Ca 0.00 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2p75 s SER 154 Cb 0.00 -0.43 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 2p75 s SER 154 CO 0.00 -0.69 0.00 0.00 0.98 0.00 0.00 173.24 173.54 2p75 s ALA 155 N -2.54 0.92 -0.01 5.32 0.00 -0.38 -1.06 121.76 124.01 2p75 s ALA 155 Ca 0.45 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2p75 s ALA 155 Cb -0.01 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.65 2p75 s ALA 155 CO 0.26 -0.38 0.04 0.54 0.00 0.00 0.00 175.76 176.22 2p75 s VAL 156 N -3.86 0.01 -0.07 0.00 0.11 -0.17 0.41 120.40 116.84 2p75 s VAL 156 Ca 0.18 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 2p75 s VAL 156 Cb 0.07 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.79 2p75 s VAL 156 CO -0.01 -0.07 -0.12 0.00 -3.33 0.00 0.00 175.10 171.57 2p75 s ALA 157 N -0.19 2.76 0.10 1.54 0.00 0.79 0.01 121.76 126.76 2p75 s ALA 157 Ca -0.02 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2p75 s ALA 157 Cb -0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2p75 s ALA 157 CO -0.00 0.49 -0.09 0.14 0.00 0.00 0.00 175.76 176.31 2p75 s VAL 158 N -0.53 0.85 -0.85 0.00 -7.23 0.19 0.11 120.40 112.94 2p75 s VAL 158 Ca 0.07 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.41 2p75 s VAL 158 Cb -0.12 -1.40 0.21 0.00 0.56 0.00 0.00 36.38 35.63 2p75 s VAL 158 CO 0.02 -0.64 0.83 -0.62 -0.31 0.00 0.00 175.10 174.38 2p75 s ASP 159 N -2.57 6.75 0.17 4.85 2.15 0.12 -1.02 116.67 127.12 2p75 s ASP 159 Ca 0.06 -2.60 -0.30 0.00 0.43 0.00 0.00 52.55 50.15 2p75 s ASP 159 Cb -0.01 -2.24 -0.07 0.00 -0.30 0.00 0.00 42.92 40.29 2p75 s ASP 159 CO -0.01 -0.65 1.09 0.86 -0.17 0.00 0.00 175.17 176.29 2p75 s TRP 160 N 0.57 3.60 -0.66 -5.34 -0.11 0.08 0.98 118.94 118.07 2p75 s TRP 160 Ca 0.21 1.60 -0.00 0.00 1.22 0.00 0.00 56.10 59.13 2p75 s TRP 160 Cb -0.09 -3.26 0.41 0.00 -1.50 0.00 0.00 33.47 29.03 2p75 s TRP 160 CO -0.09 -0.57 1.82 -0.35 -4.62 0.00 0.00 176.95 173.14 2p75 n PRO 161 N 2.47 2.92 -0.10 5.86 -0.04 -1.26 -0.21 135.00 144.64 2p75 n PRO 161 Ca 0.03 -3.63 -0.19 0.00 -0.04 0.00 0.00 63.50 59.67 2p75 n PRO 161 Cb 0.46 -2.28 -0.08 0.00 -0.04 0.00 0.00 33.50 31.57 2p75 n PRO 161 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2p75 n ARG 162 N -0.70 0.44 -3.64 0.54 1.74 0.28 -5.01 116.66 110.30 2p75 n ARG 162 Ca 0.55 0.16 -0.07 0.00 -0.77 0.00 0.00 57.85 57.72 2p75 n ARG 162 Cb 0.54 -1.26 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 2p75 n ARG 162 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2p75 s ARG 163 N -2.37 1.18 0.15 5.56 1.70 -0.73 -5.01 118.95 119.43 2p75 s ARG 163 Ca -0.27 -0.57 -0.23 0.00 -0.47 0.00 0.00 55.73 54.19 2p75 s ARG 163 Cb 0.09 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.85 2p75 s ARG 163 CO 0.37 -0.53 0.72 0.08 -1.08 0.00 0.00 175.30 174.86 2p75 s VAL 164 N -3.39 4.48 -0.24 4.99 1.01 -1.26 0.15 120.40 126.14 2p75 s VAL 164 Ca 0.08 1.53 -0.08 0.00 0.00 0.00 0.00 61.98 63.51 2p75 s VAL 164 Cb -0.02 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 2p75 s VAL 164 CO -0.03 0.49 -0.28 0.18 0.00 0.00 0.00 175.10 175.46 2p75 n LEU 165 N 1.52 2.07 -3.57 3.92 4.77 0.12 -4.83 117.00 120.99 2p75 n LEU 165 Ca -0.06 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 2p75 n LEU 165 Cb 0.49 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2p75 n LEU 165 CO 0.44 0.61 0.47 0.54 -1.33 0.00 0.00 177.39 178.13 2p75 s VAL 166 N -2.45 0.00 -0.24 4.08 0.11 -0.98 -4.98 120.40 115.95 2p75 s VAL 166 Ca -0.33 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.69 2p75 s VAL 166 Cb 0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2p75 s VAL 166 CO 0.45 0.00 -0.06 -0.13 -3.33 0.00 0.00 175.10 172.04 2p75 s ARG 167 N -0.53 3.04 -0.14 1.54 0.52 -1.26 -0.15 118.95 121.97 2p75 s ARG 167 Ca -0.06 -0.84 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 2p75 s ARG 167 Cb -0.02 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2p75 s ARG 167 CO 0.05 -0.32 -0.01 -1.17 0.02 0.00 0.00 175.30 173.87 2p75 s LEU 168 N 1.38 3.45 -0.01 2.53 2.96 0.17 -4.99 118.68 124.17 2p75 s LEU 168 Ca 0.03 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2p75 s LEU 168 Cb -0.16 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.72 2p75 s LEU 168 CO -0.04 0.23 -0.00 0.00 -1.32 0.00 0.00 176.35 175.21 2p75 s ALA 169 N 0.02 0.15 0.23 5.97 0.00 -1.26 -1.25 121.76 125.63 2p75 s ALA 169 Ca 0.02 0.05 0.12 0.00 0.00 0.00 0.00 51.96 52.15 2p75 s ALA 169 Cb -0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 2p75 s ALA 169 CO 0.02 -0.02 -0.22 -0.51 0.00 0.00 0.00 175.76 175.04 2p75 s LEU 170 N 0.38 2.51 0.00 0.00 1.43 -1.26 -5.09 118.68 116.65 2p75 s LEU 170 Ca -0.03 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 2p75 s LEU 170 Cb -0.06 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2p75 s LEU 170 CO -0.01 0.08 0.44 0.47 0.23 0.00 0.00 176.35 177.55