#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pks s VAL 38 N 0.00 5.32 -0.78 1.39 1.01 -1.26 -4.02 120.40 122.07 2pks s VAL 38 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2pks s VAL 38 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2pks s VAL 38 CO 0.00 0.36 0.66 -0.62 0.00 0.00 0.00 175.10 175.50 2pks n GLU 39 N 4.17 -4.41 -1.47 2.72 -0.58 -1.26 -5.06 120.64 114.76 2pks n GLU 39 Ca -0.15 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 2pks n GLU 39 Cb 0.52 -4.57 0.00 0.00 -0.57 0.00 0.00 31.44 26.82 2pks n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pks n GLY 40 N -1.22 5.09 3.68 0.62 0.00 -1.26 -5.17 105.19 106.92 2pks n GLY 40 Ca -0.10 -2.16 -0.27 0.00 0.00 0.00 0.00 46.02 43.49 2pks n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pks s SER 41 N -0.49 4.15 0.19 1.61 0.01 -1.26 -5.09 113.70 112.81 2pks s SER 41 Ca 0.00 -1.25 -0.30 0.00 1.31 0.00 0.00 55.95 55.71 2pks s SER 41 Cb 0.00 -0.39 -0.09 0.00 0.21 0.00 0.00 66.02 65.76 2pks s SER 41 CO 0.00 -0.52 1.29 -1.81 0.41 0.00 0.00 173.24 172.62 2pks s ASP 42 N -3.81 6.92 0.76 2.44 1.11 -1.26 -5.01 116.67 117.82 2pks s ASP 42 Ca 0.37 2.37 -0.13 0.00 0.18 0.00 0.00 52.55 55.33 2pks s ASP 42 Cb 0.07 -2.61 0.05 0.00 1.07 0.00 0.00 42.92 41.50 2pks s ASP 42 CO 0.20 -0.51 1.16 0.00 1.18 0.00 0.00 175.17 177.20 2pks s ALA 43 N 0.13 2.08 0.56 5.23 0.00 -1.26 -5.04 121.76 123.47 2pks s ALA 43 Ca 0.56 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 2pks s ALA 43 Cb -0.36 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 2pks s ALA 43 CO 0.38 -1.91 0.89 -1.21 0.00 0.00 0.00 175.76 173.91 2pks s GLU 44 N -4.21 3.25 0.32 0.00 2.02 -1.26 -5.02 118.70 113.80 2pks s GLU 44 Ca 0.70 0.22 -0.29 0.00 0.02 0.00 0.00 54.97 55.62 2pks s GLU 44 Cb -0.25 -2.26 -0.10 0.00 0.10 0.00 0.00 34.13 31.62 2pks s GLU 44 CO 0.48 -0.52 1.41 0.42 0.02 0.00 0.00 175.26 177.07 2pks s ILE 45 N -2.95 2.48 0.00 -1.63 -1.09 -1.26 -2.16 121.20 114.58 2pks s ILE 45 Ca 0.52 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 2pks s ILE 45 Cb -0.11 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 2pks s ILE 45 CO 0.47 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 2pks n GLY 46 N 1.15 0.65 0.23 6.18 0.00 -1.26 -4.87 105.19 107.27 2pks n GLY 46 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2pks n GLY 46 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2pks h MET 47 N 1.90 0.00 -1.16 1.61 -1.53 -1.81 -3.34 114.93 110.60 2pks h MET 47 Ca 0.00 0.00 -0.38 0.00 -3.44 0.00 0.00 59.70 55.88 2pks h MET 47 Cb 0.05 0.00 -0.32 0.00 -0.55 0.00 0.00 31.60 30.78 2pks h MET 47 CO 0.00 0.21 -0.95 0.45 0.14 0.00 0.00 176.91 176.76 2pks n SER 48 N -3.46 0.01 0.00 1.39 2.88 -1.26 -5.00 113.62 108.17 2pks n SER 48 Ca -0.00 -3.04 0.04 0.00 -1.33 0.00 0.00 58.87 54.54 2pks n SER 48 Cb 0.39 0.11 0.25 0.00 -0.75 0.00 0.00 64.21 64.21 2pks n SER 48 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2pks n PRO 49 N 0.14 0.25 0.00 -1.46 -0.04 -1.26 -0.43 135.00 132.20 2pks n PRO 49 Ca 0.15 0.03 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2pks n PRO 49 Cb 0.72 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 2pks n PRO 49 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2pks n TRP 50 N -1.04 0.00 -1.97 0.54 2.14 -1.15 -0.90 117.44 115.06 2pks n TRP 50 Ca 0.06 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.21 2pks n TRP 50 Cb 0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.51 2pks n TRP 50 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2pks s GLN 51 N -2.27 4.23 0.11 -2.67 2.00 0.42 -0.24 119.66 121.24 2pks s GLN 51 Ca 0.09 2.31 0.09 0.00 -2.00 0.00 0.00 55.36 55.86 2pks s GLN 51 Cb 0.12 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.72 2pks s GLN 51 CO 0.56 -0.58 -0.24 0.08 -0.50 0.00 0.00 175.29 174.61 2pks s VAL 52 N 1.16 1.95 -0.18 1.34 1.01 -0.60 -4.02 120.40 121.06 2pks s VAL 52 Ca 0.69 -1.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 2pks s VAL 52 Cb -0.43 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 2pks s VAL 52 CO 0.31 0.04 -0.05 -0.32 0.00 0.00 0.00 175.10 175.09 2pks s MET 53 N -1.88 3.53 -0.21 2.72 1.75 -0.02 -2.09 119.30 123.10 2pks s MET 53 Ca 0.10 -0.58 -0.27 0.00 -1.25 0.00 0.00 55.69 53.69 2pks s MET 53 Cb -0.10 -2.92 -0.00 0.00 2.84 0.00 0.00 34.83 34.65 2pks s MET 53 CO 0.05 0.07 0.92 -0.51 -0.65 0.00 0.00 175.02 174.90 2pks s LEU 54 N 0.79 4.12 -0.09 4.11 1.43 -0.13 0.28 118.68 129.19 2pks s LEU 54 Ca -0.02 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 2pks s LEU 54 Cb -0.15 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.73 2pks s LEU 54 CO 0.02 -0.54 -0.16 0.12 0.23 0.00 0.00 176.35 176.02 2pks s PHE 55 N 2.75 1.89 0.03 0.29 5.36 0.21 0.23 117.98 128.74 2pks s PHE 55 Ca 0.40 -0.81 -0.30 0.00 -0.96 0.00 0.00 56.93 55.25 2pks s PHE 55 Cb -0.16 -1.35 -0.06 0.00 -0.34 0.00 0.00 43.02 41.12 2pks s PHE 55 CO 0.09 -0.40 1.31 0.50 -1.46 0.00 0.00 175.22 175.26 2pks s ARG 56 N 0.77 4.34 -0.01 10.12 3.52 0.80 -0.35 118.95 138.14 2pks s ARG 56 Ca -0.11 1.89 -0.23 0.00 -0.13 0.00 0.00 55.73 57.14 2pks s ARG 56 Cb -0.16 -3.45 -0.13 0.00 -1.56 0.00 0.00 34.95 29.65 2pks s ARG 56 CO 0.02 -0.44 0.98 0.87 -0.81 0.00 0.00 175.30 175.92 2pks h LYS 57 N 7.29 -0.62 0.00 5.12 1.57 -1.45 -3.05 116.57 125.44 2pks h LYS 57 Ca -0.39 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2pks h LYS 57 Cb 1.19 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2pks h LYS 57 CO 0.87 -0.34 0.00 -1.13 -0.57 0.00 0.00 179.45 178.28 2pks n SER 58 N -5.22 0.00 -4.47 0.86 3.41 -1.26 -1.56 113.62 105.37 2pks n SER 58 Ca -0.10 0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.10 2pks n SER 58 Cb 0.29 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 2pks n SER 58 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2pks s PRO 59 N -0.02 3.29 -0.21 4.33 0.04 -1.26 -5.02 135.00 136.16 2pks s PRO 59 Ca 0.00 -1.03 -0.17 0.00 0.04 0.00 0.00 61.00 59.84 2pks s PRO 59 Cb 0.00 -4.52 -0.07 0.00 0.04 0.00 0.00 34.50 29.95 2pks s PRO 59 CO 0.00 -1.88 0.85 1.04 0.04 0.00 0.00 177.00 177.04 2pks n GLN 60 N 7.72 0.00 -3.64 4.56 6.02 -0.60 -4.79 117.38 126.65 2pks n GLN 60 Ca 0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 2pks n GLN 60 Cb 0.47 -0.58 -0.02 0.00 1.02 0.00 0.00 30.24 31.13 2pks n GLN 60 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2pks s GLU 61 N 2.41 0.04 0.12 -1.09 -1.05 -1.15 -4.97 118.70 113.01 2pks s GLU 61 Ca 0.47 -0.02 -0.31 0.00 -0.15 0.00 0.00 54.97 54.97 2pks s GLU 61 Cb -0.58 0.02 -0.10 0.00 -0.44 0.00 0.00 34.13 33.03 2pks s GLU 61 CO 0.25 -0.02 1.73 -1.17 0.95 0.00 0.00 175.26 177.01 2pks s LEU 62 N -2.05 4.38 -0.22 1.83 2.96 -1.26 -0.14 118.68 124.18 2pks s LEU 62 Ca 0.12 2.67 -0.15 0.00 -0.22 0.00 0.00 54.13 56.54 2pks s LEU 62 Cb -0.01 -3.57 -0.18 0.00 0.50 0.00 0.00 46.19 42.93 2pks s LEU 62 CO -0.02 -0.94 0.04 -0.11 -1.32 0.00 0.00 176.35 173.99 2pks n LEU 63 N 5.31 2.09 -3.66 -0.68 0.00 0.13 -4.86 117.00 115.33 2pks n LEU 63 Ca 0.17 0.32 0.00 0.00 0.00 0.00 0.00 56.01 56.50 2pks n LEU 63 Cb 0.39 -0.94 -0.01 0.00 0.00 0.00 0.00 43.42 42.86 2pks n LEU 63 CO 0.64 0.50 0.97 0.00 0.00 0.00 0.00 177.39 179.50 2pks s GLY 65 N -2.98 1.79 0.08 0.00 0.00 -1.26 -0.96 107.32 103.99 2pks s GLY 65 Ca 0.14 -1.58 -0.26 0.00 0.00 0.00 0.00 44.72 43.02 2pks s GLY 65 CO -0.02 -1.15 1.16 0.00 0.00 0.00 0.00 173.10 173.09 2pks s ALA 66 N -2.94 -2.01 -0.07 3.20 0.00 -0.89 -4.60 121.76 114.47 2pks s ALA 66 Ca 0.62 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 2pks s ALA 66 Cb -0.08 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2pks s ALA 66 CO 0.41 -1.09 0.21 -1.54 0.00 0.00 0.00 175.76 173.75 2pks s SER 67 N -3.48 -0.19 -0.16 0.00 1.04 -0.10 -1.56 113.70 109.25 2pks s SER 67 Ca 0.23 0.33 -0.20 0.00 0.48 0.00 0.00 55.95 56.79 2pks s SER 67 Cb -0.01 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 2pks s SER 67 CO 0.02 -0.14 0.58 -0.22 0.98 0.00 0.00 173.24 174.46 2pks s LEU 68 N -0.17 4.21 0.00 2.42 2.96 0.67 0.17 118.68 128.94 2pks s LEU 68 Ca -0.03 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 2pks s LEU 68 Cb -0.03 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.82 2pks s LEU 68 CO 0.01 -0.16 0.00 2.30 -1.32 0.00 0.00 176.35 177.18 2pks n ILE 69 N 4.26 0.00 -3.41 6.68 -5.35 -0.36 -1.72 119.36 119.45 2pks n ILE 69 Ca -0.03 -0.36 -0.04 0.00 -0.27 0.00 0.00 62.75 62.05 2pks n ILE 69 Cb 0.51 0.88 0.01 0.00 -1.74 0.00 0.00 39.64 39.30 2pks n ILE 69 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2pks n SER 70 N -1.02 -1.11 0.20 7.28 3.41 -1.18 -4.76 113.62 116.44 2pks n SER 70 Ca 0.00 -1.76 0.14 0.00 -0.26 0.00 0.00 58.87 56.99 2pks n SER 70 Cb 0.00 1.85 0.56 0.00 -0.26 0.00 0.00 64.21 66.36 2pks n SER 70 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2pks h ASP 71 N 0.97 0.00 0.00 4.04 -0.00 -1.97 -3.26 116.42 116.20 2pks h ASP 71 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.87 2pks h ASP 71 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.94 2pks h ASP 71 CO 0.21 0.00 0.00 0.54 -0.00 0.00 0.00 179.24 179.99 2pks n ARG 72 N -2.65 1.73 -4.53 4.15 1.74 -1.26 -1.48 116.66 114.36 2pks n ARG 72 Ca 0.02 -0.24 -0.33 0.00 -0.77 0.00 0.00 57.85 56.53 2pks n ARG 72 Cb 0.29 -0.70 -0.15 0.00 -1.02 0.00 0.00 32.46 30.88 2pks n ARG 72 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2pks s TRP 73 N -0.32 2.77 -0.05 -1.55 0.52 -1.23 -0.20 118.94 118.88 2pks s TRP 73 Ca 0.00 -1.09 0.06 0.00 0.02 0.00 0.00 56.10 55.09 2pks s TRP 73 Cb 0.00 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 2pks s TRP 73 CO 0.00 -0.50 -0.25 0.08 0.02 0.00 0.00 176.95 176.30 2pks s VAL 74 N 0.83 2.03 -0.03 4.03 1.01 0.00 -1.23 120.40 127.04 2pks s VAL 74 Ca -0.05 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.89 2pks s VAL 74 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2pks s VAL 74 CO -0.01 0.57 -0.08 -0.22 0.00 0.00 0.00 175.10 175.36 2pks s LEU 75 N -0.24 3.09 0.33 3.92 2.96 0.13 -0.25 118.68 128.61 2pks s LEU 75 Ca -0.01 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 2pks s LEU 75 Cb -0.13 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.86 2pks s LEU 75 CO 0.03 0.33 0.55 0.28 -1.32 0.00 0.00 176.35 176.21 2pks s THR 76 N -0.88 0.00 0.09 3.68 -1.32 -0.15 -0.93 115.64 116.14 2pks s THR 76 Ca 0.14 -1.41 -0.29 0.00 -1.21 0.00 0.00 61.69 58.92 2pks s THR 76 Cb -0.11 -2.59 -0.06 0.00 -1.51 0.00 0.00 72.50 68.24 2pks s THR 76 CO 0.04 0.00 0.91 0.00 -2.21 0.00 0.00 174.62 173.36 2pks s ALA 77 N -3.11 3.27 0.28 11.08 0.00 -1.26 -0.93 121.76 131.09 2pks s ALA 77 Ca 0.25 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.73 2pks s ALA 77 Cb -0.02 -3.21 0.59 0.00 0.00 0.00 0.00 23.12 20.49 2pks s ALA 77 CO 0.16 -0.01 1.81 0.00 0.00 0.00 0.00 175.76 177.71 2pks h ALA 78 N 5.61 1.50 0.00 0.00 0.00 -1.68 -2.02 119.26 122.68 2pks h ALA 78 Ca -0.43 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2pks h ALA 78 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2pks h ALA 78 CO 0.72 0.09 0.00 -2.39 0.00 0.00 0.00 179.25 177.67 2pks n HIS 79 N -4.71 0.20 0.15 0.00 1.44 -1.26 -0.73 115.22 110.31 2pks n HIS 79 Ca 0.20 0.10 0.03 0.00 -2.01 0.00 0.00 57.72 56.04 2pks n HIS 79 Cb 0.43 -0.66 0.14 0.00 0.12 0.00 0.00 29.99 30.01 2pks n HIS 79 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2pks n LEU 81 N -3.36 1.35 -4.16 0.00 4.77 0.09 -4.74 117.00 110.95 2pks n LEU 81 Ca 0.01 0.49 -0.35 0.00 -0.03 0.00 0.00 56.01 56.13 2pks n LEU 81 Cb 0.67 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 2pks n LEU 81 CO 0.40 -0.46 -0.30 -0.22 -1.33 0.00 0.00 177.39 175.48 2pks s LEU 82 N -7.23 4.35 -0.35 2.23 2.96 -0.73 -0.46 118.68 119.44 2pks s LEU 82 Ca -0.12 -1.52 0.01 0.00 -0.22 0.00 0.00 54.13 52.27 2pks s LEU 82 Cb 0.02 -1.75 0.14 0.00 0.50 0.00 0.00 46.19 45.10 2pks s LEU 82 CO 0.18 -0.35 0.27 -0.47 -1.32 0.00 0.00 176.35 174.66 2pks s TYR 83 N 1.21 0.27 0.20 5.38 5.04 0.33 -4.18 117.35 125.60 2pks s TYR 83 Ca -0.00 -1.22 -0.13 0.00 -2.44 0.00 0.00 57.07 53.28 2pks s TYR 83 Cb -0.21 -0.71 0.23 0.00 0.35 0.00 0.00 41.96 41.63 2pks s TYR 83 CO -0.02 -0.88 1.67 -1.35 -1.34 0.00 0.00 175.55 173.63 2pks h PRO 84 N 7.18 0.10 0.00 4.97 0.11 -1.93 0.21 132.00 142.65 2pks h PRO 84 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2pks h PRO 84 Cb 1.01 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2pks h PRO 84 CO 0.25 0.07 0.32 -2.30 -0.21 0.00 0.00 178.00 176.13 2pks n PRO 85 N -5.26 0.06 -0.01 1.05 -0.02 -1.26 -0.78 135.00 128.78 2pks n PRO 85 Ca 0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2pks n PRO 85 Cb 0.30 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2pks n PRO 85 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2pks n TRP 86 N -1.81 0.00 -0.67 6.00 8.01 0.03 -4.98 117.44 124.03 2pks n TRP 86 Ca -0.01 -0.31 0.00 0.00 -1.31 0.00 0.00 57.50 55.87 2pks n TRP 86 Cb 0.33 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.60 2pks n TRP 86 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2pks n ASP 87 N -0.32 -0.57 -4.62 -0.99 9.92 0.04 -4.90 116.55 115.10 2pks n ASP 87 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.84 2pks n ASP 87 Cb 0.36 -1.96 -0.03 0.00 -0.64 0.00 0.00 41.12 38.86 2pks n ASP 87 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2pks s LYS 88 N -0.83 3.59 -0.52 -1.24 2.20 -1.10 -4.88 119.74 116.97 2pks s LYS 88 Ca 0.00 1.87 0.07 0.00 -0.36 0.00 0.00 55.97 57.55 2pks s LYS 88 Cb 0.00 -4.17 0.19 0.00 -1.51 0.00 0.00 37.83 32.34 2pks s LYS 88 CO 0.00 -1.55 0.73 -1.71 -0.36 0.00 0.00 175.35 172.45 2pks n ASN 89 N 9.48 -3.36 -4.70 1.43 2.85 -0.89 0.12 115.26 120.20 2pks n ASN 89 Ca 0.23 -2.92 -0.35 0.00 -0.11 0.00 0.00 54.58 51.43 2pks n ASN 89 Cb 0.45 1.69 -0.09 0.00 1.24 0.00 0.00 39.78 43.07 2pks n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2pks s PHE 90 N 0.84 3.19 0.42 1.20 0.08 0.39 -4.99 117.98 119.11 2pks s PHE 90 Ca 0.30 0.21 0.08 0.00 0.12 0.00 0.00 56.93 57.64 2pks s PHE 90 Cb 0.01 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2pks s PHE 90 CO -0.06 0.49 0.36 0.95 -0.10 0.00 0.00 175.22 176.85 2pks s THR 91 N -0.92 2.56 0.09 0.64 -4.23 -1.26 -4.81 115.64 107.70 2pks s THR 91 Ca 0.14 -1.39 -0.17 0.00 -1.18 0.00 0.00 61.69 59.09 2pks s THR 91 Cb -0.11 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 2pks s THR 91 CO 0.03 0.00 1.00 -0.62 -0.54 0.00 0.00 174.62 174.49 2pks n GLU 92 N -1.52 -0.24 0.00 3.99 4.71 -1.26 -1.26 120.64 125.05 2pks n GLU 92 Ca 0.03 0.98 0.05 0.00 -0.01 0.00 0.00 57.16 58.21 2pks n GLU 92 Cb 0.62 -1.44 0.30 0.00 -1.01 0.00 0.00 31.44 29.91 2pks n GLU 92 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2pks n ASN 93 N -4.41 0.00 0.02 1.62 3.02 -1.26 -0.98 115.26 113.26 2pks n ASN 93 Ca 0.01 -0.25 0.11 0.00 -0.03 0.00 0.00 54.58 54.42 2pks n ASN 93 Cb 0.14 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 2pks n ASN 93 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2pks n ASP 94 N -1.05 0.62 -4.19 6.41 8.00 -0.39 -4.90 116.55 121.06 2pks n ASP 94 Ca 0.07 -0.32 -0.28 0.00 0.71 0.00 0.00 54.79 54.98 2pks n ASP 94 Cb 0.04 0.91 -0.16 0.00 -0.02 0.00 0.00 41.12 41.89 2pks n ASP 94 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pks s LEU 95 N -3.78 1.98 -0.05 0.64 1.43 -0.15 -1.12 118.68 117.63 2pks s LEU 95 Ca 0.04 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2pks s LEU 95 Cb 0.15 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 2pks s LEU 95 CO 0.82 0.20 -0.06 -0.76 0.23 0.00 0.00 176.35 176.77 2pks s LEU 96 N -0.15 3.20 -0.15 1.79 1.43 0.52 -4.32 118.68 121.00 2pks s LEU 96 Ca -0.01 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 2pks s LEU 96 Cb -0.11 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2pks s LEU 96 CO 0.02 0.34 0.30 0.68 0.23 0.00 0.00 176.35 177.92 2pks s VAL 97 N -0.86 5.30 -0.31 -1.59 -7.23 -1.10 0.65 120.40 115.25 2pks s VAL 97 Ca 0.14 0.56 -0.03 0.00 -1.81 0.00 0.00 61.98 60.83 2pks s VAL 97 Cb -0.11 -3.63 0.05 0.00 0.56 0.00 0.00 36.38 33.25 2pks s VAL 97 CO 0.03 0.41 0.03 -0.13 -0.31 0.00 0.00 175.10 175.12 2pks s ARG 98 N 0.34 2.50 -0.18 4.82 0.52 0.14 -1.51 118.95 125.57 2pks s ARG 98 Ca 0.17 -1.23 -0.05 0.00 -0.52 0.00 0.00 55.73 54.10 2pks s ARG 98 Cb -0.13 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 2pks s ARG 98 CO 0.04 -0.63 -0.01 0.42 0.02 0.00 0.00 175.30 175.14 2pks s ILE 99 N 1.30 3.96 0.00 1.52 1.01 -0.60 -0.84 121.20 127.55 2pks s ILE 99 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2pks s ILE 99 Cb -0.20 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2pks s ILE 99 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2pks n GLY 100 N 3.93 1.52 3.86 6.18 0.00 -1.26 -1.12 105.19 118.30 2pks n GLY 100 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2pks n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pks s LYS 101 N -0.15 3.94 0.03 1.61 1.02 -1.26 -4.50 119.74 120.43 2pks s LYS 101 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.52 2pks s LYS 101 Cb 0.00 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 2pks s LYS 101 CO 0.00 0.25 0.00 1.58 -0.92 0.00 0.00 175.35 176.26 2pks n HIS 102 N -0.15 -0.00 -2.55 3.18 -0.00 -1.26 -5.01 115.22 109.43 2pks n HIS 102 Ca 0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.33 2pks n HIS 102 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.47 2pks n HIS 102 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2pks s SER 103 N -5.26 7.34 0.01 0.26 0.15 -1.26 -4.97 113.70 109.98 2pks s SER 103 Ca 0.00 2.12 -0.25 0.00 0.70 0.00 0.00 55.95 58.52 2pks s SER 103 Cb 0.00 -2.61 -0.17 0.00 -1.71 0.00 0.00 66.02 61.53 2pks s SER 103 CO 0.00 -0.13 1.32 -0.09 1.20 0.00 0.00 173.24 175.55 2pks h ARG 104 N 4.51 -0.27 0.13 5.44 2.43 -1.97 -3.40 114.38 121.25 2pks h ARG 104 Ca -0.45 0.02 -0.36 0.00 -0.81 0.00 0.00 59.98 58.37 2pks h ARG 104 Cb 1.21 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2pks h ARG 104 CO 0.70 0.04 -1.96 1.79 -1.51 0.00 0.00 179.97 179.03 2pks h THR 105 N -0.60 0.67 -4.18 0.20 1.35 -2.00 -3.49 112.91 104.86 2pks h THR 105 Ca -0.03 -2.37 -0.49 0.00 -0.55 0.00 0.00 66.41 62.97 2pks h THR 105 Cb 0.44 2.55 0.07 0.00 -1.73 0.00 0.00 68.15 69.47 2pks h THR 105 CO 0.05 0.90 0.38 -0.60 -0.25 0.00 0.00 175.52 175.99 2pks s ARG 106 N -2.56 3.30 -0.84 4.72 6.06 -1.26 -5.00 118.95 123.36 2pks s ARG 106 Ca -0.21 1.25 -0.22 0.00 -2.50 0.00 0.00 55.73 54.05 2pks s ARG 106 Cb 0.06 -2.03 0.08 0.00 0.06 0.00 0.00 34.95 33.13 2pks s ARG 106 CO 0.78 -0.83 1.18 -0.47 -2.50 0.00 0.00 175.30 173.46 2pks s TYR 107 N -2.38 2.72 -1.05 5.12 5.04 -1.26 -4.89 117.35 120.65 2pks s TYR 107 Ca 0.65 -0.81 -0.23 0.00 -2.44 0.00 0.00 57.07 54.23 2pks s TYR 107 Cb -0.17 -4.44 -0.06 0.00 0.35 0.00 0.00 41.96 37.65 2pks s TYR 107 CO 0.36 -1.73 1.92 -1.21 -1.34 0.00 0.00 175.55 173.55 2pks s GLU 108 N 4.09 2.59 0.45 4.97 2.02 -1.26 -4.91 118.70 126.65 2pks s GLU 108 Ca 0.33 -0.77 -0.24 0.00 0.02 0.00 0.00 54.97 54.32 2pks s GLU 108 Cb -0.08 -5.17 -0.08 0.00 0.10 0.00 0.00 34.13 28.91 2pks s GLU 108 CO -0.00 -3.61 1.18 0.50 0.02 0.00 0.00 175.26 173.35 2pks s ARG 109 N 6.63 3.81 0.00 1.61 3.52 -1.26 -0.36 118.95 132.89 2pks s ARG 109 Ca 0.68 1.83 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 2pks s ARG 109 Cb -0.03 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 2pks s ARG 109 CO 0.06 -0.53 0.00 0.09 -0.81 0.00 0.00 175.30 174.11 2pks n ASN 110 N -0.35 0.00 -0.08 -2.12 4.13 -1.26 -4.68 115.26 110.90 2pks n ASN 110 Ca 0.07 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.15 2pks n ASN 110 Cb 0.47 -0.36 -0.06 0.00 -1.54 0.00 0.00 39.78 38.30 2pks n ASN 110 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2pks n ILE 111 N -1.74 0.98 -2.70 2.41 5.41 -0.71 -5.04 119.36 117.97 2pks n ILE 111 Ca 0.00 -0.19 -0.31 0.00 1.00 0.00 0.00 62.75 63.25 2pks n ILE 111 Cb 0.00 -1.76 -0.03 0.00 -0.71 0.00 0.00 39.64 37.14 2pks n ILE 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2pks s GLU 112 N -2.33 3.80 -0.04 0.38 -1.05 0.51 -4.76 118.70 115.20 2pks s GLU 112 Ca -0.23 0.57 0.07 0.00 -0.15 0.00 0.00 54.97 55.23 2pks s GLU 112 Cb 0.09 -2.32 -0.01 0.00 -0.44 0.00 0.00 34.13 31.44 2pks s GLU 112 CO 0.30 -0.12 -0.24 0.15 0.95 0.00 0.00 175.26 176.30 2pks s LYS 113 N -4.00 2.22 -0.21 -4.83 -0.14 -0.28 -4.91 119.74 107.60 2pks s LYS 113 Ca 0.53 -0.87 -0.04 0.00 -1.36 0.00 0.00 55.97 54.22 2pks s LYS 113 Cb -0.10 -2.00 -0.02 0.00 -1.68 0.00 0.00 37.83 34.03 2pks s LYS 113 CO 0.33 0.45 -0.02 0.42 -0.76 0.00 0.00 175.35 175.77 2pks s ILE 114 N -0.36 3.73 0.48 2.17 1.01 -1.26 -1.56 121.20 125.41 2pks s ILE 114 Ca 0.03 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.35 2pks s ILE 114 Cb -0.11 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 2pks s ILE 114 CO 0.01 0.43 0.23 -0.44 0.00 0.00 0.00 174.94 175.16 2pks s SER 115 N 1.17 4.45 0.11 3.58 0.01 -0.57 -5.00 113.70 117.45 2pks s SER 115 Ca 0.03 -1.25 0.08 0.00 1.31 0.00 0.00 55.95 56.12 2pks s SER 115 Cb -0.14 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 2pks s SER 115 CO 0.00 -0.80 -0.19 -0.04 0.41 0.00 0.00 173.24 172.62 2pks s MET 116 N -4.03 1.10 -0.15 12.44 -1.94 -1.26 -2.71 119.30 122.74 2pks s MET 116 Ca 0.32 -1.18 -0.15 0.00 -1.71 0.00 0.00 55.69 52.96 2pks s MET 116 Cb 0.01 -1.26 -0.05 0.00 2.01 0.00 0.00 34.83 35.54 2pks s MET 116 CO 0.18 0.28 0.35 -0.51 -0.01 0.00 0.00 175.02 175.31 2pks s LEU 117 N -2.06 4.26 -0.19 -0.03 1.43 -1.26 -0.30 118.68 120.52 2pks s LEU 117 Ca 0.07 0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 53.55 2pks s LEU 117 Cb -0.09 -2.47 -0.20 0.00 0.03 0.00 0.00 46.19 43.46 2pks s LEU 117 CO 0.04 0.07 0.30 -0.08 0.23 0.00 0.00 176.35 176.91 2pks h GLU 118 N 6.66 0.02 -3.18 1.70 4.81 -0.53 -3.44 114.58 120.62 2pks h GLU 118 Ca -0.41 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.51 2pks h GLU 118 Cb 1.17 0.01 -0.34 0.00 0.63 0.00 0.00 28.75 30.22 2pks h GLU 118 CO 0.75 1.01 -0.63 0.21 -0.73 0.00 0.00 179.01 179.63 2pks s LYS 119 N -2.36 0.04 -0.12 1.92 2.47 -1.15 -5.00 119.74 115.55 2pks s LYS 119 Ca -0.27 0.47 -0.05 0.00 -1.56 0.00 0.00 55.97 54.55 2pks s LYS 119 Cb 0.05 -0.25 -0.04 0.00 -1.46 0.00 0.00 37.83 36.13 2pks s LYS 119 CO 0.62 -0.25 0.09 0.42 0.16 0.00 0.00 175.35 176.38 2pks s ILE 120 N 1.83 5.05 -0.03 5.43 1.01 -1.26 -0.88 121.20 132.36 2pks s ILE 120 Ca -0.02 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2pks s ILE 120 Cb -0.12 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2pks s ILE 120 CO -0.06 0.60 -0.10 -0.31 0.00 0.00 0.00 174.94 175.07 2pks s TYR 121 N -0.84 1.06 -0.03 3.97 1.51 -0.36 -5.03 117.35 117.63 2pks s TYR 121 Ca 0.13 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 2pks s TYR 121 Cb -0.12 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 2pks s TYR 121 CO 0.03 -0.10 -0.17 0.42 -1.11 0.00 0.00 175.55 174.62 2pks s ILE 122 N 0.13 1.39 0.14 2.71 1.01 -1.26 -1.52 121.20 123.80 2pks s ILE 122 Ca -0.03 -0.71 -0.35 0.00 0.00 0.00 0.00 60.65 59.57 2pks s ILE 122 Cb -0.09 -1.19 -0.16 0.00 0.01 0.00 0.00 42.46 41.04 2pks s ILE 122 CO 0.01 0.40 1.27 1.57 0.00 0.00 0.00 174.94 178.19 2pks n HIS 123 N 3.02 1.47 -0.30 3.97 -0.00 -1.12 -4.88 115.22 117.38 2pks n HIS 123 Ca -0.17 0.63 -0.05 0.00 -0.00 0.00 0.00 57.72 58.13 2pks n HIS 123 Cb 0.53 -2.32 0.07 0.00 -0.00 0.00 0.00 29.99 28.27 2pks n HIS 123 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2pks h PRO 124 N 4.04 1.14 -1.13 1.57 0.11 -1.95 -2.74 132.00 133.04 2pks h PRO 124 Ca -0.45 -0.15 -0.27 0.00 0.11 0.00 0.00 66.00 65.23 2pks h PRO 124 Cb 1.33 -0.21 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 2pks h PRO 124 CO 0.74 0.86 0.35 0.54 -0.21 0.00 0.00 178.00 180.29 2pks n ARG 125 N -4.38 1.66 -2.14 1.05 5.12 -1.26 -4.93 116.66 111.78 2pks n ARG 125 Ca 0.08 -1.50 -0.43 0.00 -1.93 0.00 0.00 57.85 54.07 2pks n ARG 125 Cb 0.12 -1.59 -0.02 0.00 -1.16 0.00 0.00 32.46 29.80 2pks n ARG 125 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2pks s TYR 126 N -1.67 2.10 -1.25 -1.55 5.04 -1.04 -4.69 117.35 114.29 2pks s TYR 126 Ca 0.29 0.61 -0.15 0.00 -2.44 0.00 0.00 57.07 55.38 2pks s TYR 126 Cb 0.24 -4.09 0.14 0.00 0.35 0.00 0.00 41.96 38.59 2pks s TYR 126 CO 0.04 -2.69 1.57 -1.71 -1.34 0.00 0.00 175.55 171.42 2pks n ASN 127 N 9.07 5.11 0.25 4.32 2.85 0.07 -4.75 115.26 132.18 2pks n ASN 127 Ca 0.19 -2.96 0.16 0.00 -0.11 0.00 0.00 54.58 51.86 2pks n ASN 127 Cb 0.46 -1.62 0.56 0.00 1.24 0.00 0.00 39.78 40.42 2pks n ASN 127 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 2pks h TRP 128 N 7.17 0.00 0.00 1.20 5.08 -1.92 0.16 115.95 127.64 2pks h TRP 128 Ca 0.37 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.24 2pks h TRP 128 Cb 0.85 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.00 2pks h TRP 128 CO 1.21 0.00 -0.48 0.00 -1.28 0.00 0.00 178.44 177.89 2pks h ARG 129 N 0.00 0.00 0.00 0.12 3.08 -1.99 -3.43 114.38 112.15 2pks h ARG 129 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pks h ARG 129 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2pks h ARG 129 CO 0.00 0.48 0.00 -1.91 -1.07 0.00 0.00 179.97 177.47 2pks n GLU 130 N -3.40 0.00 -0.10 0.04 2.13 -1.23 -5.00 120.64 113.08 2pks n GLU 130 Ca 0.01 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.84 2pks n GLU 130 Cb 0.64 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.36 2pks n GLU 130 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2pks n ASN 131 N -2.13 0.75 -3.88 4.31 6.94 -1.22 -5.02 115.26 115.01 2pks n ASN 131 Ca 0.00 -1.66 -0.29 0.00 -0.02 0.00 0.00 54.58 52.62 2pks n ASN 131 Cb 0.00 -0.08 0.03 0.00 -2.36 0.00 0.00 39.78 37.36 2pks n ASN 131 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2pks n LEU 132 N -0.28 -2.64 -4.76 -4.53 4.77 0.57 -4.96 117.00 105.17 2pks n LEU 132 Ca 0.02 -0.79 -0.40 0.00 -0.03 0.00 0.00 56.01 54.81 2pks n LEU 132 Cb 0.49 -2.57 -0.05 0.00 -2.33 0.00 0.00 43.42 38.96 2pks n LEU 132 CO 0.00 0.46 0.75 -0.62 -1.33 0.00 0.00 177.39 176.65 2pks s ASP 133 N -3.50 7.26 -1.10 -1.43 3.68 -1.22 -3.04 116.67 117.32 2pks s ASP 133 Ca 0.54 2.16 -0.00 0.00 2.13 0.00 0.00 52.55 57.38 2pks s ASP 133 Cb -0.27 -2.62 -0.00 0.00 -1.45 0.00 0.00 42.92 38.58 2pks s ASP 133 CO 0.83 -0.14 0.92 0.54 0.13 0.00 0.00 175.17 177.45 2pks n ARG 134 N 1.03 -5.96 -2.68 4.34 1.74 -1.26 -0.75 116.66 113.12 2pks n ARG 134 Ca -0.00 0.78 -0.43 0.00 -0.77 0.00 0.00 57.85 57.43 2pks n ARG 134 Cb 0.46 -5.60 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 2pks n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pks n ASP 135 N -2.97 5.02 -3.76 0.55 2.03 -1.17 -4.46 116.55 111.80 2pks n ASP 135 Ca -0.26 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 51.98 2pks n ASP 135 Cb 0.65 -1.69 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 2pks n ASP 135 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2pks s ILE 136 N 3.38 0.02 -0.11 5.18 2.07 -1.26 -3.63 121.20 126.85 2pks s ILE 136 Ca 0.50 -0.20 -0.16 0.00 -1.41 0.00 0.00 60.65 59.38 2pks s ILE 136 Cb 0.02 -0.53 0.04 0.00 0.13 0.00 0.00 42.46 42.11 2pks s ILE 136 CO 0.05 -0.11 0.41 0.00 -1.91 0.00 0.00 174.94 173.39 2pks s ALA 137 N -0.46 -1.03 -0.11 1.50 0.00 -0.10 -2.79 121.76 118.77 2pks s ALA 137 Ca -0.06 0.97 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 2pks s ALA 137 Cb -0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2pks s ALA 137 CO 0.02 -0.23 0.02 -0.51 0.00 0.00 0.00 175.76 175.06 2pks s LEU 138 N -0.30 3.66 -0.12 0.00 1.43 -0.58 -0.98 118.68 121.80 2pks s LEU 138 Ca -0.04 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2pks s LEU 138 Cb -0.03 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.34 2pks s LEU 138 CO 0.02 0.33 -0.17 -0.04 0.23 0.00 0.00 176.35 176.73 2pks s MET 139 N -0.59 2.40 -0.22 1.70 -1.94 0.65 -1.23 119.30 120.07 2pks s MET 139 Ca 0.10 -0.62 -0.11 0.00 -1.71 0.00 0.00 55.69 53.35 2pks s MET 139 Cb -0.12 -2.03 -0.05 0.00 2.01 0.00 0.00 34.83 34.64 2pks s MET 139 CO 0.02 -0.07 0.18 0.21 -0.01 0.00 0.00 175.02 175.35 2pks s LYS 140 N 1.01 4.14 0.28 2.03 2.20 -0.05 -0.82 119.74 128.53 2pks s LYS 140 Ca -0.05 -0.18 -0.13 0.00 -0.36 0.00 0.00 55.97 55.24 2pks s LYS 140 Cb -0.15 -3.49 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 2pks s LYS 140 CO -0.03 0.15 0.67 -0.51 -0.36 0.00 0.00 175.35 175.27 2pks s LEU 141 N 0.79 4.12 0.03 5.43 1.43 0.72 0.16 118.68 131.35 2pks s LEU 141 Ca 0.09 1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 2pks s LEU 141 Cb -0.13 -3.90 -0.05 0.00 0.03 0.00 0.00 46.19 42.14 2pks s LEU 141 CO 0.02 -0.14 1.17 0.11 0.23 0.00 0.00 176.35 177.74 2pks h LYS 142 N 2.44 -0.28 -6.26 1.70 1.57 -0.95 -3.42 116.57 111.38 2pks h LYS 142 Ca -0.48 0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 57.65 2pks h LYS 142 Cb 1.17 0.06 -0.18 0.00 0.08 0.00 0.00 32.23 33.37 2pks h LYS 142 CO 0.67 -0.19 -0.70 0.15 -0.57 0.00 0.00 179.45 178.80 2pks s LYS 143 N -3.85 2.59 0.47 3.15 1.02 -1.26 -4.98 119.74 116.88 2pks s LYS 143 Ca -0.05 -0.68 -0.22 0.00 0.02 0.00 0.00 55.97 55.03 2pks s LYS 143 Cb 0.01 -2.51 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 2pks s LYS 143 CO 0.18 0.62 0.91 -2.30 -0.92 0.00 0.00 175.35 173.84 2pks n PRO 144 N 1.73 1.11 -3.54 -1.68 -0.02 -1.26 -4.94 135.00 126.40 2pks n PRO 144 Ca -0.16 0.41 -0.37 0.00 -2.02 0.00 0.00 63.50 61.35 2pks n PRO 144 Cb 0.53 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 2pks n PRO 144 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pks s VAL 145 N -1.38 5.07 -0.13 -1.45 0.11 -0.55 -5.04 120.40 117.03 2pks s VAL 145 Ca 0.66 0.71 -0.16 0.00 -2.93 0.00 0.00 61.98 60.26 2pks s VAL 145 Cb -0.52 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 30.61 2pks s VAL 145 CO 0.55 0.51 0.38 0.00 -3.33 0.00 0.00 175.10 173.20 2pks s ALA 146 N -1.16 3.55 0.85 1.54 0.00 -1.26 -4.83 121.76 120.45 2pks s ALA 146 Ca 0.26 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 2pks s ALA 146 Cb -0.16 -2.50 0.10 0.00 0.00 0.00 0.00 23.12 20.57 2pks s ALA 146 CO 0.14 0.08 1.10 -0.06 0.00 0.00 0.00 175.76 177.01 2pks s PHE 147 N 0.45 2.60 0.08 0.00 0.08 -1.26 -4.90 117.98 115.03 2pks s PHE 147 Ca 0.21 1.16 -0.12 0.00 0.12 0.00 0.00 56.93 58.29 2pks s PHE 147 Cb -0.14 -3.16 0.04 0.00 -0.57 0.00 0.00 43.02 39.19 2pks s PHE 147 CO 0.07 -2.07 0.59 -1.13 -0.10 0.00 0.00 175.22 172.58 2pks n SER 148 N -3.64 -0.90 0.27 1.36 3.41 -0.74 -4.95 113.62 108.43 2pks n SER 148 Ca 0.07 -1.44 0.14 0.00 -0.26 0.00 0.00 58.87 57.38 2pks n SER 148 Cb 0.56 1.46 0.79 0.00 -0.26 0.00 0.00 64.21 66.76 2pks n SER 148 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2pks h ASP 149 N 1.08 0.00 -0.01 4.04 3.45 -1.99 -3.18 116.42 119.81 2pks h ASP 149 Ca -0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.32 2pks h ASP 149 Cb 0.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 2pks h ASP 149 CO 0.20 0.08 -0.20 -1.22 -1.57 0.00 0.00 179.24 176.53 2pks n TYR 150 N -3.63 0.00 -3.70 4.55 4.02 -1.26 -4.75 117.16 112.39 2pks n TYR 150 Ca -0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.63 2pks n TYR 150 Cb 0.20 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.35 2pks n TYR 150 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2pks s ILE 151 N -1.35 0.20 -0.28 -0.72 1.01 -1.20 -4.23 121.20 114.62 2pks s ILE 151 Ca 0.09 -0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.46 2pks s ILE 151 Cb 0.08 -0.60 0.11 0.00 0.01 0.00 0.00 42.46 42.06 2pks s ILE 151 CO 0.25 -0.03 0.91 -2.28 0.00 0.00 0.00 174.94 173.79 2pks s HIS 152 N 2.03 -0.66 0.39 3.97 2.46 -0.08 -1.80 115.29 121.60 2pks s HIS 152 Ca 0.03 1.45 -0.24 0.00 0.47 0.00 0.00 55.06 56.76 2pks s HIS 152 Cb -0.14 0.39 -0.09 0.00 -0.13 0.00 0.00 32.58 32.61 2pks s HIS 152 CO -0.07 -0.32 1.04 -1.25 -2.47 0.00 0.00 174.74 171.67 2pks s PRO 153 N 0.84 4.21 0.56 2.88 0.04 -1.26 -2.94 135.00 139.33 2pks s PRO 153 Ca -0.03 1.49 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 2pks s PRO 153 Cb -0.05 -2.56 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 2pks s PRO 153 CO -0.10 -0.10 1.02 0.54 0.04 0.00 0.00 177.00 178.40 2pks s VAL 154 N -1.66 4.27 0.39 -0.36 0.11 -0.70 -4.96 120.40 117.48 2pks s VAL 154 Ca 0.57 1.04 -0.10 0.00 -2.93 0.00 0.00 61.98 60.56 2pks s VAL 154 Cb -0.21 -3.60 -0.06 0.00 -1.53 0.00 0.00 36.38 30.98 2pks s VAL 154 CO 0.27 -0.66 0.75 0.00 -3.33 0.00 0.00 175.10 172.13 2pks s LEU 156 N -3.80 4.38 0.37 0.00 1.43 -1.26 -5.08 118.68 114.72 2pks s LEU 156 Ca 0.51 0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 53.79 2pks s LEU 156 Cb -0.10 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 2pks s LEU 156 CO 0.31 0.41 1.41 -2.16 0.23 0.00 0.00 176.35 176.55 2pks s PRO 157 N -1.04 4.13 0.53 1.29 0.04 -1.26 -5.06 135.00 133.64 2pks s PRO 157 Ca 0.15 2.42 -0.01 0.00 0.04 0.00 0.00 61.00 63.60 2pks s PRO 157 Cb -0.12 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.49 2pks s PRO 157 CO 0.04 -0.46 0.78 0.16 0.04 0.00 0.00 177.00 177.56 2pks s ASP 158 N -0.33 5.52 0.50 6.66 -4.77 -1.26 -4.91 116.67 118.08 2pks s ASP 158 Ca 0.53 0.29 0.28 0.00 -3.30 0.00 0.00 52.55 50.34 2pks s ASP 158 Cb -0.44 -1.32 1.38 0.00 -1.09 0.00 0.00 42.92 41.46 2pks s ASP 158 CO 0.58 -0.99 1.88 -0.09 0.70 0.00 0.00 175.17 177.25 2pks h ARG 159 N 0.09 0.10 0.22 2.11 2.43 -1.99 -1.48 114.38 115.87 2pks h ARG 159 Ca -0.45 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.39 2pks h ARG 159 Cb 1.27 -0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.83 2pks h ARG 159 CO 0.57 0.07 -1.52 0.93 -1.51 0.00 0.00 179.97 178.51 2pks h GLU 160 N 0.11 0.46 -0.31 0.20 3.07 -1.97 0.25 114.58 116.39 2pks h GLU 160 Ca 0.44 -0.79 -0.07 0.00 -0.50 0.00 0.00 59.36 58.44 2pks h GLU 160 Cb 1.58 0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 29.77 2pks h GLU 160 CO -0.06 1.38 -0.08 1.15 -1.40 0.00 0.00 179.01 180.00 2pks h THR 161 N 0.07 1.28 -0.35 1.13 2.02 -1.80 -2.00 112.91 113.26 2pks h THR 161 Ca -0.28 -1.13 0.07 0.00 0.77 0.00 0.00 66.41 65.84 2pks h THR 161 Cb 2.08 1.38 -0.07 0.00 -1.74 0.00 0.00 68.15 69.80 2pks h THR 161 CO 0.22 0.36 -0.13 0.00 0.37 0.00 0.00 175.52 176.35 2pks h ALA 162 N 0.79 0.17 -0.97 6.16 0.00 -1.36 -1.12 119.26 122.92 2pks h ALA 162 Ca 0.08 0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.32 2pks h ALA 162 Cb 0.57 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 2pks h ALA 162 CO 0.03 -0.50 0.62 0.00 0.00 0.00 0.00 179.25 179.40 2pks h ALA 163 N 1.25 1.97 0.00 0.00 0.00 -0.71 -0.94 119.26 120.82 2pks h ALA 163 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2pks h ALA 163 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2pks h ALA 163 CO -0.39 -0.31 -1.40 -1.13 0.00 0.00 0.00 179.25 176.02 2pks n SER 164 N -4.64 1.00 -0.08 0.00 3.41 -0.77 -4.62 113.62 107.92 2pks n SER 164 Ca 0.22 -0.33 -0.08 0.00 -0.26 0.00 0.00 58.87 58.42 2pks n SER 164 Cb 0.66 1.48 -0.12 0.00 -0.26 0.00 0.00 64.21 65.98 2pks n SER 164 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pks n LEU 165 N -1.83 0.08 -3.70 1.04 4.77 -0.45 -4.71 117.00 112.21 2pks n LEU 165 Ca -0.01 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 2pks n LEU 165 Cb 0.37 0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 2pks n LEU 165 CO 0.35 0.39 2.67 0.18 -1.33 0.00 0.00 177.39 179.64 2pks n LEU 166 N -2.57 6.69 -4.11 2.23 4.77 -0.37 -4.82 117.00 118.81 2pks n LEU 166 Ca -0.25 -4.03 -0.15 0.00 -0.03 0.00 0.00 56.01 51.55 2pks n LEU 166 Cb 0.99 -1.60 -0.12 0.00 -2.33 0.00 0.00 43.42 40.36 2pks n LEU 166 CO 0.32 1.02 -0.43 -1.10 -1.33 0.00 0.00 177.39 175.87 2pks s GLN 167 N 3.32 0.65 0.24 3.23 -0.21 -1.26 -4.94 119.66 120.70 2pks s GLN 167 Ca 0.49 -0.84 -0.31 0.00 0.02 0.00 0.00 55.36 54.72 2pks s GLN 167 Cb 0.14 -0.52 -0.14 0.00 1.00 0.00 0.00 33.01 33.49 2pks s GLN 167 CO -0.07 0.11 1.34 0.00 -2.12 0.00 0.00 175.29 174.55 2pks n ALA 168 N 1.38 0.80 0.00 6.09 0.00 -1.26 -1.81 120.51 125.72 2pks n ALA 168 Ca -0.22 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2pks n ALA 168 Cb 0.54 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2pks n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pks n GLY 169 N 1.93 3.00 3.73 0.00 0.00 -1.26 -5.01 105.19 107.59 2pks n GLY 169 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2pks n GLY 169 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pks s TYR 170 N -1.74 3.17 0.31 1.61 1.51 -0.75 -5.02 117.35 116.44 2pks s TYR 170 Ca 0.00 1.04 -0.10 0.00 -1.01 0.00 0.00 57.07 57.00 2pks s TYR 170 Cb 0.00 -3.72 -0.07 0.00 -0.11 0.00 0.00 41.96 38.06 2pks s TYR 170 CO 0.00 -2.37 0.66 0.15 -1.11 0.00 0.00 175.55 172.87 2pks s LYS 171 N 0.21 3.82 0.27 -0.62 1.02 -1.26 -4.87 119.74 118.30 2pks s LYS 171 Ca 0.61 0.38 0.02 0.00 0.02 0.00 0.00 55.97 57.00 2pks s LYS 171 Cb -0.39 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 2pks s LYS 171 CO 0.37 0.16 0.16 0.20 -0.92 0.00 0.00 175.35 175.33 2pks s GLY 172 N -2.69 1.85 -0.06 -3.33 0.00 -1.26 -5.14 107.32 96.68 2pks s GLY 172 Ca 0.50 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 43.44 2pks s GLY 172 CO 0.24 -1.50 -0.15 -1.60 0.00 0.00 0.00 173.10 170.10 2pks s ARG 173 N -3.90 1.81 0.05 2.90 3.52 -1.26 -5.12 118.95 116.94 2pks s ARG 173 Ca 0.38 -0.52 0.07 0.00 -0.13 0.00 0.00 55.73 55.54 2pks s ARG 173 Cb 0.06 -1.51 -0.03 0.00 -1.56 0.00 0.00 34.95 31.91 2pks s ARG 173 CO 0.17 0.12 -0.19 0.08 -0.81 0.00 0.00 175.30 174.67 2pks s VAL 174 N 0.39 2.71 -0.03 7.11 1.01 -1.26 -5.14 120.40 125.18 2pks s VAL 174 Ca -0.11 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.60 2pks s VAL 174 Cb -0.14 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.11 2pks s VAL 174 CO 0.04 0.33 0.13 0.42 0.00 0.00 0.00 175.10 176.01 2pks s THR 175 N -0.92 0.02 -0.07 3.92 -4.23 -1.26 -5.09 115.64 108.01 2pks s THR 175 Ca 0.14 -0.20 -0.31 0.00 -1.18 0.00 0.00 61.69 60.14 2pks s THR 175 Cb -0.10 -0.25 0.12 0.00 1.34 0.00 0.00 72.50 73.61 2pks s THR 175 CO 0.05 -0.11 1.38 -0.83 -0.54 0.00 0.00 174.62 174.57 2pks s GLY 176 N -0.33 -0.37 -0.15 3.99 0.00 -1.26 -5.01 107.32 104.20 2pks s GLY 176 Ca -0.04 0.59 0.17 0.00 0.00 0.00 0.00 44.72 45.44 2pks s GLY 176 CO 0.00 2.68 1.18 0.79 0.00 0.00 0.00 173.10 177.75 2pks n TRP 177 N -0.68 0.04 -1.98 1.90 8.01 -1.26 -4.63 117.44 118.84 2pks n TRP 177 Ca -0.04 -1.11 -0.29 0.00 -1.31 0.00 0.00 57.50 54.75 2pks n TRP 177 Cb 0.62 -0.18 0.13 0.00 -2.01 0.00 0.00 31.31 29.87 2pks n TRP 177 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2pks s GLY 178 N -2.93 1.70 0.22 6.99 0.00 -1.26 -4.94 107.32 107.11 2pks s GLY 178 Ca 0.34 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 2pks s GLY 178 CO 0.01 -0.38 0.73 0.70 0.00 0.00 0.00 173.10 174.16 2pks n ASN 179 N -3.46 -0.23 0.21 1.64 3.02 -1.26 -3.08 115.26 112.10 2pks n ASN 179 Ca 0.12 1.15 0.10 0.00 -0.03 0.00 0.00 54.58 55.91 2pks n ASN 179 Cb 0.60 -1.08 0.25 0.00 -0.61 0.00 0.00 39.78 38.94 2pks n ASN 179 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2pks h LEU 180 N 1.50 0.00 -8.81 3.41 3.38 -1.94 -2.24 115.31 110.61 2pks h LEU 180 Ca -0.33 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.27 2pks h LEU 180 Cb 1.40 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.01 2pks h LEU 180 CO 0.59 0.17 -0.68 -0.54 0.09 0.00 0.00 178.44 178.07 2pks s LYS 181 N -3.28 1.25 0.02 1.13 1.02 -1.26 -4.19 119.74 114.43 2pks s LYS 181 Ca 0.04 -1.60 -0.16 0.00 0.02 0.00 0.00 55.97 54.28 2pks s LYS 181 Cb 0.07 -0.63 -0.09 0.00 -0.52 0.00 0.00 37.83 36.66 2pks s LYS 181 CO 0.67 -0.03 1.19 1.49 -0.92 0.00 0.00 175.35 177.75 2pks h GLU 182 N 2.58 -0.54 0.00 1.68 4.81 -2.00 -3.50 114.58 117.61 2pks h GLU 182 Ca -0.38 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2pks h GLU 182 Cb 1.21 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2pks h GLU 182 CO 0.64 -0.36 0.00 0.25 -0.73 0.00 0.00 179.01 178.81