#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fes s VAL 17 N 0.00 3.90 -1.37 1.39 1.01 0.22 -4.00 120.40 121.54 2fes s VAL 17 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 2fes s VAL 17 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2fes s VAL 17 CO 0.00 0.53 0.12 -0.62 0.00 0.00 0.00 175.10 175.13 2fes n GLU 18 N 3.10 -1.98 0.00 2.72 -0.58 -1.26 -2.59 120.64 120.05 2fes n GLU 18 Ca -0.18 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 2fes n GLU 18 Cb 0.53 -5.22 0.00 0.00 -0.57 0.00 0.00 31.44 26.18 2fes n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fes n GLY 19 N -1.11 2.59 3.45 0.62 0.00 -1.26 -4.77 105.19 104.71 2fes n GLY 19 Ca -0.17 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 2fes n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fes s SER 20 N -0.75 -0.09 0.13 1.61 1.04 -0.70 -4.94 113.70 110.00 2fes s SER 20 Ca 0.00 -0.76 -0.31 0.00 0.48 0.00 0.00 55.95 55.36 2fes s SER 20 Cb 0.00 0.52 -0.10 0.00 0.10 0.00 0.00 66.02 66.54 2fes s SER 20 CO 0.00 -1.00 1.63 -1.81 0.98 0.00 0.00 173.24 173.04 2fes s ASP 21 N -2.95 6.56 0.57 7.02 -0.00 -1.26 -1.15 116.67 125.46 2fes s ASP 21 Ca 0.16 2.61 -0.17 0.00 -0.00 0.00 0.00 52.55 55.14 2fes s ASP 21 Cb 0.01 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.30 2fes s ASP 21 CO 0.01 -0.87 1.08 0.00 -0.00 0.00 0.00 175.17 175.38 2fes s ALA 22 N 1.79 2.71 0.44 5.23 0.00 -0.42 -4.85 121.76 126.66 2fes s ALA 22 Ca 0.73 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 2fes s ALA 22 Cb -0.43 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2fes s ALA 22 CO 0.32 -0.78 0.71 -1.83 0.00 0.00 0.00 175.76 174.18 2fes s GLU 23 N -3.73 3.40 0.18 0.00 -1.05 -1.26 -4.90 118.70 111.33 2fes s GLU 23 Ca 0.67 -0.08 -0.33 0.00 -0.15 0.00 0.00 54.97 55.07 2fes s GLU 23 Cb -0.19 -2.48 -0.14 0.00 -0.44 0.00 0.00 34.13 30.88 2fes s GLU 23 CO 0.32 -0.15 1.49 -0.89 0.95 0.00 0.00 175.26 176.98 2fes n ILE 24 N -2.12 0.30 -1.14 1.83 2.08 -1.26 -2.01 119.36 117.04 2fes n ILE 24 Ca -0.01 -0.08 -0.05 0.00 0.56 0.00 0.00 62.75 63.18 2fes n ILE 24 Cb 0.56 -1.41 -0.02 0.00 -0.75 0.00 0.00 39.64 38.02 2fes n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2fes n GLY 25 N 2.90 0.69 0.15 7.39 0.00 -1.26 -4.90 105.19 110.16 2fes n GLY 25 Ca 0.15 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.94 2fes n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2fes h MET 26 N 0.26 0.00 -2.01 1.61 -1.53 -1.78 -3.36 114.93 108.12 2fes h MET 26 Ca -0.10 0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.61 2fes h MET 26 Cb 0.59 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.25 2fes h MET 26 CO 0.15 0.52 -1.10 0.43 0.14 0.00 0.00 176.91 177.05 2fes n SER 27 N -3.54 0.45 0.00 1.39 7.64 -1.26 -4.97 113.62 113.33 2fes n SER 27 Ca -0.00 -2.78 0.01 0.00 1.01 0.00 0.00 58.87 57.11 2fes n SER 27 Cb 0.62 -0.64 0.04 0.00 -1.01 0.00 0.00 64.21 63.22 2fes n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2fes n PRO 28 N 1.20 0.03 0.00 1.43 -0.04 -1.26 -1.10 135.00 135.25 2fes n PRO 28 Ca 0.22 0.22 0.09 0.00 -0.04 0.00 0.00 63.50 63.99 2fes n PRO 28 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 2fes n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2fes n TRP 29 N -1.24 0.00 -1.87 0.54 2.14 -1.10 -1.11 117.44 114.81 2fes n TRP 29 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 2fes n TRP 29 Cb 0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 2fes n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2fes s GLN 30 N -2.35 4.18 0.09 -2.67 2.00 -0.26 -1.06 119.66 119.59 2fes s GLN 30 Ca 0.11 2.41 0.10 0.00 -2.00 0.00 0.00 55.36 55.98 2fes s GLN 30 Cb 0.14 -3.54 -0.04 0.00 0.80 0.00 0.00 33.01 30.37 2fes s GLN 30 CO 0.58 -0.75 -0.26 0.08 -0.50 0.00 0.00 175.29 174.44 2fes s VAL 31 N 2.49 2.27 -0.16 1.34 1.01 -0.47 -3.96 120.40 122.92 2fes s VAL 31 Ca 0.75 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2fes s VAL 31 Cb -0.42 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 2fes s VAL 31 CO 0.33 0.21 -0.09 -0.32 0.00 0.00 0.00 175.10 175.23 2fes s MET 32 N -1.73 3.43 -0.46 2.72 1.75 -0.53 -1.35 119.30 123.14 2fes s MET 32 Ca 0.13 -0.64 -0.21 0.00 -1.25 0.00 0.00 55.69 53.72 2fes s MET 32 Cb -0.10 -2.80 0.03 0.00 2.84 0.00 0.00 34.83 34.80 2fes s MET 32 CO 0.05 0.09 0.71 -0.51 -0.65 0.00 0.00 175.02 174.70 2fes s LEU 33 N 0.71 4.47 -0.10 4.11 1.02 0.32 -0.78 118.68 128.43 2fes s LEU 33 Ca -0.04 -0.37 -0.03 0.00 0.02 0.00 0.00 54.13 53.71 2fes s LEU 33 Cb -0.15 -2.75 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 2fes s LEU 33 CO 0.02 -0.88 0.02 0.12 0.02 0.00 0.00 176.35 175.65 2fes s PHE 34 N 3.03 3.20 0.02 0.29 5.36 0.02 -0.38 117.98 129.51 2fes s PHE 34 Ca 0.24 0.19 -0.20 0.00 -0.96 0.00 0.00 56.93 56.20 2fes s PHE 34 Cb -0.14 -1.83 -0.06 0.00 -0.34 0.00 0.00 43.02 40.65 2fes s PHE 34 CO 0.19 0.45 0.58 0.50 -1.46 0.00 0.00 175.22 175.48 2fes s ARG 35 N -0.76 4.27 0.09 10.12 3.52 -0.54 -1.24 118.95 134.40 2fes s ARG 35 Ca 0.12 0.72 -0.18 0.00 -0.13 0.00 0.00 55.73 56.26 2fes s ARG 35 Cb -0.12 -3.30 -0.08 0.00 -1.56 0.00 0.00 34.95 29.90 2fes s ARG 35 CO 0.02 0.47 1.54 0.87 -0.81 0.00 0.00 175.30 177.40 2fes h LYS 36 N 5.22 0.44 -2.28 5.12 1.57 -1.80 -3.22 116.57 121.63 2fes h LYS 36 Ca -0.47 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.16 2fes h LYS 36 Cb 1.21 -0.05 -0.24 0.00 0.08 0.00 0.00 32.23 33.23 2fes h LYS 36 CO 0.67 0.59 -0.27 0.45 -0.57 0.00 0.00 179.45 180.32 2fes s SER 36 N -5.91 -0.62 0.27 0.86 0.15 -1.26 -3.33 113.70 103.86 2fes s SER 36 Ca -0.14 1.22 -0.29 0.00 0.70 0.00 0.00 55.95 57.44 2fes s SER 36 Cb 0.08 1.75 -0.09 0.00 -1.71 0.00 0.00 66.02 66.04 2fes s SER 36 CO 0.74 -0.23 1.06 -2.16 1.20 0.00 0.00 173.24 173.86 2fes s PRO 37 N 2.73 4.69 -0.24 5.44 0.04 -1.26 -5.06 135.00 141.33 2fes s PRO 37 Ca -0.03 1.73 -0.32 0.00 0.04 0.00 0.00 61.00 62.42 2fes s PRO 37 Cb -0.12 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 2fes s PRO 37 CO -0.15 0.28 2.16 1.04 0.04 0.00 0.00 177.00 180.36 2fes n GLN 38 N 1.24 1.68 -3.47 4.56 6.02 -1.21 -4.67 117.38 121.52 2fes n GLN 38 Ca -0.01 0.49 -0.13 0.00 -0.01 0.00 0.00 57.00 57.34 2fes n GLN 38 Cb 0.45 -2.85 -0.03 0.00 1.02 0.00 0.00 30.24 28.83 2fes n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2fes s GLU 39 N 5.94 1.08 0.22 -1.09 -1.05 -1.21 -4.97 118.70 117.61 2fes s GLU 39 Ca 1.03 -0.20 -0.31 0.00 -0.15 0.00 0.00 54.97 55.34 2fes s GLU 39 Cb -0.59 0.50 -0.10 0.00 -0.44 0.00 0.00 34.13 33.50 2fes s GLU 39 CO 0.43 -0.43 1.52 -1.17 0.95 0.00 0.00 175.26 176.56 2fes s LEU 40 N -2.16 4.37 -0.08 1.83 2.96 -1.26 -1.47 118.68 122.87 2fes s LEU 40 Ca -0.02 2.68 0.01 0.00 -0.22 0.00 0.00 54.13 56.58 2fes s LEU 40 Cb -0.01 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 2fes s LEU 40 CO -0.05 -0.78 -0.07 -0.11 -1.32 0.00 0.00 176.35 174.01 2fes n LEU 41 N 3.03 2.98 -3.82 -0.68 0.00 0.49 -4.89 117.00 114.12 2fes n LEU 41 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 56.01 56.06 2fes n LEU 41 Cb 0.39 -0.29 0.01 0.00 0.00 0.00 0.00 43.42 43.52 2fes n LEU 41 CO 0.61 0.64 0.91 0.00 0.00 0.00 0.00 177.39 179.55 2fes s GLY 43 N -3.29 1.88 0.06 0.00 0.00 0.19 -0.52 107.32 105.65 2fes s GLY 43 Ca 0.19 -1.90 -0.14 0.00 0.00 0.00 0.00 44.72 42.88 2fes s GLY 43 CO 0.01 -1.63 0.65 0.00 0.00 0.00 0.00 173.10 172.13 2fes n ALA 44 N -2.02 -1.75 -3.23 3.20 0.00 -0.46 -3.90 120.51 112.36 2fes n ALA 44 Ca 0.11 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 2fes n ALA 44 Cb 0.61 0.24 -0.09 0.00 0.00 0.00 0.00 19.45 20.21 2fes n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fes s SER 45 N -2.49 -0.20 -0.24 0.00 1.04 -0.38 -1.37 113.70 110.06 2fes s SER 45 Ca 0.15 0.16 -0.18 0.00 0.48 0.00 0.00 55.95 56.55 2fes s SER 45 Cb -0.01 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 2fes s SER 45 CO 0.02 -0.39 0.53 -0.22 0.98 0.00 0.00 173.24 174.16 2fes s LEU 46 N -1.10 4.09 0.00 2.42 2.96 -0.23 -0.56 118.68 126.26 2fes s LEU 46 Ca -0.12 0.61 0.10 0.00 -0.22 0.00 0.00 54.13 54.50 2fes s LEU 46 Cb -0.05 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 2fes s LEU 46 CO 0.04 -0.26 0.58 2.30 -1.32 0.00 0.00 176.35 177.68 2fes n ILE 47 N 4.93 0.00 -3.93 6.68 -5.35 -0.82 -1.61 119.36 119.25 2fes n ILE 47 Ca -0.04 -0.36 -0.01 0.00 -0.27 0.00 0.00 62.75 62.07 2fes n ILE 47 Cb 0.50 1.09 0.02 0.00 -1.74 0.00 0.00 39.64 39.50 2fes n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2fes s SER 48 N -1.50 0.01 0.10 7.28 1.04 -1.23 -4.74 113.70 114.65 2fes s SER 48 Ca 0.07 -0.52 0.20 0.00 0.48 0.00 0.00 55.95 56.18 2fes s SER 48 Cb 0.08 0.38 0.82 0.00 0.10 0.00 0.00 66.02 67.40 2fes s SER 48 CO 0.29 -0.76 1.62 -0.90 0.98 0.00 0.00 173.24 174.48 2fes n ASP 49 N -1.21 0.28 0.00 7.02 5.75 -1.26 -3.66 116.55 123.47 2fes n ASP 49 Ca -0.00 0.56 0.00 0.00 -0.01 0.00 0.00 54.79 55.34 2fes n ASP 49 Cb 0.59 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2fes n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2fes n ARG 50 N -1.80 4.03 -5.06 0.11 1.74 -1.26 -1.03 116.66 113.39 2fes n ARG 50 Ca 0.04 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 2fes n ARG 50 Cb 0.23 -0.64 -0.15 0.00 -1.02 0.00 0.00 32.46 30.88 2fes n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2fes s TRP 51 N -1.23 2.59 -0.03 -1.55 0.52 -1.24 -0.68 118.94 117.32 2fes s TRP 51 Ca 0.00 -0.54 0.07 0.00 0.02 0.00 0.00 56.10 55.65 2fes s TRP 51 Cb 0.00 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 30.64 2fes s TRP 51 CO 0.00 -0.10 -0.23 0.08 0.02 0.00 0.00 176.95 176.72 2fes s VAL 52 N -0.22 2.27 -0.06 4.03 1.01 -0.54 -1.95 120.40 124.93 2fes s VAL 52 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.96 2fes s VAL 52 Cb -0.13 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2fes s VAL 52 CO 0.03 0.58 -0.06 -0.22 0.00 0.00 0.00 175.10 175.43 2fes s LEU 53 N -0.53 3.19 0.00 3.92 2.96 0.28 -1.15 118.68 127.35 2fes s LEU 53 Ca 0.07 -0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.87 2fes s LEU 53 Cb -0.11 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.91 2fes s LEU 53 CO 0.00 0.36 0.60 1.07 -1.32 0.00 0.00 176.35 177.06 2fes n THR 54 N 2.16 0.00 -3.16 3.68 5.66 -0.63 -1.25 114.28 120.74 2fes n THR 54 Ca -0.18 -1.10 -0.39 0.00 -3.05 0.00 0.00 64.05 59.34 2fes n THR 54 Cb 0.53 0.89 -0.06 0.00 -1.55 0.00 0.00 70.33 70.14 2fes n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fes s ALA 55 N -2.17 3.54 0.27 1.79 0.00 -1.26 -1.07 121.76 122.86 2fes s ALA 55 Ca 0.18 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 2fes s ALA 55 Cb -0.03 -2.76 0.37 0.00 0.00 0.00 0.00 23.12 20.70 2fes s ALA 55 CO 0.13 0.36 1.85 0.00 0.00 0.00 0.00 175.76 178.10 2fes h ALA 56 N 4.46 1.23 0.00 0.00 0.00 -1.70 -2.16 119.26 121.08 2fes h ALA 56 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2fes h ALA 56 Cb 1.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2fes h ALA 56 CO 0.64 0.56 0.00 -2.39 0.00 0.00 0.00 179.25 178.07 2fes n HIS 57 N -4.30 0.42 0.20 0.00 1.44 -1.26 -0.78 115.22 110.94 2fes n HIS 57 Ca 0.06 0.21 0.07 0.00 -2.01 0.00 0.00 57.72 56.05 2fes n HIS 57 Cb 0.18 -0.83 0.36 0.00 0.12 0.00 0.00 29.99 29.81 2fes n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2fes n LEU 59 N -3.44 2.05 -3.82 0.00 4.77 0.04 -4.87 117.00 111.73 2fes n LEU 59 Ca 0.00 -0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.68 2fes n LEU 59 Cb 0.50 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 41.12 2fes n LEU 59 CO 0.36 0.63 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.43 2fes s LEU 60 N -5.64 0.80 0.13 2.23 2.96 -0.36 -0.50 118.68 118.31 2fes s LEU 60 Ca -0.17 -0.14 -0.25 0.00 -0.22 0.00 0.00 54.13 53.35 2fes s LEU 60 Cb 0.05 -0.54 0.07 0.00 0.50 0.00 0.00 46.19 46.27 2fes s LEU 60 CO 0.42 -0.16 0.76 -0.47 -1.32 0.00 0.00 176.35 175.58 2fes s TYR 60 N 1.81 -0.36 0.00 5.38 5.04 0.99 -4.09 117.35 126.11 2fes s TYR 60 Ca 0.04 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 2fes s TYR 60 Cb -0.12 0.59 0.00 0.00 0.35 0.00 0.00 41.96 42.78 2fes s TYR 60 CO -0.05 -0.83 0.00 -2.30 -1.34 0.00 0.00 175.55 171.03 2fes n PRO 60 N -0.37 0.00 -0.26 4.97 -0.02 -1.26 -2.05 135.00 136.01 2fes n PRO 60 Ca -0.11 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.46 2fes n PRO 60 Cb 0.62 -0.03 0.19 0.00 -0.02 0.00 0.00 33.50 34.26 2fes n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2fes n TRP 60 N -0.00 0.38 -3.11 6.00 8.01 -1.26 -4.96 117.44 122.49 2fes n TRP 60 Ca 0.00 -1.02 -0.22 0.00 -1.31 0.00 0.00 57.50 54.95 2fes n TRP 60 Cb 0.00 -0.23 0.02 0.00 -2.01 0.00 0.00 31.31 29.09 2fes n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2fes n ASP 60 N -1.09 -4.99 -4.62 -0.99 8.00 -1.17 -4.95 116.55 106.74 2fes n ASP 60 Ca 0.19 -0.29 -0.39 0.00 0.71 0.00 0.00 54.79 55.01 2fes n ASP 60 Cb 0.75 -4.07 -0.09 0.00 -0.02 0.00 0.00 41.12 37.69 2fes n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2fes s LYS 60 N -5.77 4.05 -0.50 -1.24 2.47 -0.87 -4.97 119.74 112.90 2fes s LYS 60 Ca 0.32 0.07 0.06 0.00 -1.56 0.00 0.00 55.97 54.85 2fes s LYS 60 Cb -0.15 -3.63 0.21 0.00 -1.46 0.00 0.00 37.83 32.79 2fes s LYS 60 CO 0.39 -0.23 0.80 -1.71 0.16 0.00 0.00 175.35 174.76 2fes n ASN 60 N 5.16 -3.20 -4.84 1.43 4.05 -1.19 -0.01 115.26 116.65 2fes n ASN 60 Ca -0.08 -2.95 -0.32 0.00 0.45 0.00 0.00 54.58 51.67 2fes n ASN 60 Cb 0.51 1.73 -0.04 0.00 1.23 0.00 0.00 39.78 43.21 2fes n ASN 60 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2fes s PHE 60 N 0.81 3.42 0.39 1.20 0.08 0.35 -5.01 117.98 119.23 2fes s PHE 60 Ca 0.30 1.41 0.08 0.00 0.12 0.00 0.00 56.93 58.85 2fes s PHE 60 Cb 0.08 -2.73 -0.07 0.00 -0.57 0.00 0.00 43.02 39.72 2fes s PHE 60 CO -0.11 -0.26 -0.01 0.95 -0.10 0.00 0.00 175.22 175.69 2fes s THR 60 N -2.47 2.12 0.37 0.64 -4.23 -1.26 -4.89 115.64 105.93 2fes s THR 60 Ca 0.58 -2.04 0.17 0.00 -1.18 0.00 0.00 61.69 59.22 2fes s THR 60 Cb -0.10 -2.89 0.37 0.00 1.34 0.00 0.00 72.50 71.23 2fes s THR 60 CO 0.27 -0.07 1.72 -0.33 -0.54 0.00 0.00 174.62 175.67 2fes h GLU 61 N 1.83 0.37 -0.00 3.99 3.07 -1.94 -0.45 114.58 121.45 2fes h GLU 61 Ca -0.43 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2fes h GLU 61 Cb 1.24 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2fes h GLU 61 CO 0.76 0.24 -0.13 0.09 -1.40 0.00 0.00 179.01 178.58 2fes n ASN 62 N -4.78 0.31 0.08 1.42 4.13 -1.26 -3.45 115.26 111.71 2fes n ASN 62 Ca 0.29 -0.22 0.12 0.00 1.68 0.00 0.00 54.58 56.45 2fes n ASN 62 Cb 0.95 -0.15 0.28 0.00 -1.54 0.00 0.00 39.78 39.32 2fes n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2fes n ASP 63 N -1.21 0.73 -4.53 6.41 8.00 -0.18 -4.90 116.55 120.88 2fes n ASP 63 Ca 0.11 0.31 -0.25 0.00 0.71 0.00 0.00 54.79 55.67 2fes n ASP 63 Cb 0.30 -0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 2fes n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2fes s LEU 64 N -4.29 2.66 -0.01 0.64 1.43 -1.22 -2.31 118.68 115.58 2fes s LEU 64 Ca 0.08 -1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 51.89 2fes s LEU 64 Cb 0.13 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.50 2fes s LEU 64 CO 0.66 -0.32 0.09 -0.76 0.23 0.00 0.00 176.35 176.26 2fes s LEU 65 N -3.58 1.70 -0.12 1.79 1.43 -0.37 -4.51 118.68 115.02 2fes s LEU 65 Ca 0.33 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2fes s LEU 65 Cb 0.05 0.44 -0.02 0.00 0.03 0.00 0.00 46.19 46.69 2fes s LEU 65 CO 0.16 -0.23 -0.08 0.68 0.23 0.00 0.00 176.35 177.11 2fes s VAL 66 N -0.84 3.51 -0.28 -1.59 -7.23 -0.55 -0.80 120.40 112.61 2fes s VAL 66 Ca -0.09 -0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.54 2fes s VAL 66 Cb -0.05 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.43 2fes s VAL 66 CO 0.00 0.53 -0.01 -0.13 -0.31 0.00 0.00 175.10 175.19 2fes s ARG 67 N 0.09 2.69 -0.08 4.82 0.52 0.04 -0.93 118.95 126.10 2fes s ARG 67 Ca -0.03 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.06 2fes s ARG 67 Cb -0.14 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 2fes s ARG 67 CO 0.04 -0.51 0.04 0.42 0.02 0.00 0.00 175.30 175.30 2fes s ILE 68 N 1.32 4.60 0.00 1.52 1.01 0.79 -1.45 121.20 129.00 2fes s ILE 68 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.44 2fes s ILE 68 Cb -0.18 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2fes s ILE 68 CO -0.02 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2fes n GLY 69 N 1.97 0.67 3.89 6.18 0.00 -1.25 -0.03 105.19 116.61 2fes n GLY 69 Ca -0.18 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2fes n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fes s LYS 70 N -0.80 3.05 0.18 1.61 1.02 -1.26 -4.30 119.74 119.23 2fes s LYS 70 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.39 2fes s LYS 70 Cb 0.00 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2fes s LYS 70 CO 0.00 -0.83 0.00 1.58 -0.92 0.00 0.00 175.35 175.18 2fes n HIS 71 N -2.83 -1.44 -2.40 3.18 -0.00 -1.26 -4.96 115.22 105.51 2fes n HIS 71 Ca 0.06 0.25 -0.39 0.00 -0.00 0.00 0.00 57.72 57.64 2fes n HIS 71 Cb 0.57 0.44 -0.03 0.00 -0.00 0.00 0.00 29.99 30.96 2fes n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2fes s SER 72 N -5.17 6.92 0.02 0.26 0.15 -1.26 -0.72 113.70 113.89 2fes s SER 72 Ca 0.00 2.30 -0.20 0.00 0.70 0.00 0.00 55.95 58.75 2fes s SER 72 Cb 0.00 -2.62 -0.20 0.00 -1.71 0.00 0.00 66.02 61.49 2fes s SER 72 CO 0.00 -0.39 1.17 -0.09 1.20 0.00 0.00 173.24 175.13 2fes h ARG 73 N 3.22 0.41 0.00 5.44 2.43 -1.04 -3.39 114.38 121.44 2fes h ARG 73 Ca -0.48 -0.35 -0.11 0.00 -0.81 0.00 0.00 59.98 58.23 2fes h ARG 73 Cb 1.22 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 2fes h ARG 73 CO 0.65 1.00 -2.06 0.25 -1.51 0.00 0.00 179.97 178.30 2fes n THR 74 N -4.32 0.41 -2.61 0.20 -2.24 -1.26 -5.00 114.28 99.46 2fes n THR 74 Ca -0.09 -0.58 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 2fes n THR 74 Cb 0.57 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 2fes n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2fes s ARG 75 N -3.13 4.03 -0.56 -0.78 1.81 -1.26 -4.99 118.95 114.07 2fes s ARG 75 Ca -0.08 1.12 -0.20 0.00 -1.72 0.00 0.00 55.73 54.85 2fes s ARG 75 Cb 0.11 -2.14 0.07 0.00 -0.45 0.00 0.00 34.95 32.53 2fes s ARG 75 CO 0.84 -0.21 0.73 -0.47 -0.68 0.00 0.00 175.30 175.51 2fes s TYR 76 N -2.28 2.95 -1.37 -0.53 5.04 -1.26 -4.87 117.35 115.04 2fes s TYR 76 Ca 0.62 -0.59 -0.16 0.00 -2.44 0.00 0.00 57.07 54.49 2fes s TYR 76 Cb -0.11 -3.84 0.05 0.00 0.35 0.00 0.00 41.96 38.41 2fes s TYR 76 CO 0.20 -1.23 1.97 0.39 -1.34 0.00 0.00 175.55 175.54 2fes n GLU 77 N 6.59 3.01 -1.50 4.97 1.02 -1.26 -4.96 120.64 128.51 2fes n GLU 77 Ca -0.06 -2.95 -0.50 0.00 -0.02 0.00 0.00 57.16 53.64 2fes n GLU 77 Cb 0.45 -3.40 -0.04 0.00 -0.02 0.00 0.00 31.44 28.43 2fes n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2fes n ARG 77 N 7.33 0.53 -0.38 3.49 0.63 -1.26 -1.23 116.66 125.77 2fes n ARG 77 Ca 0.50 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 2fes n ARG 77 Cb 0.43 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.87 2fes n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2fes n ASN 78 N 1.79 0.00 0.00 6.15 5.03 -1.26 -4.72 115.26 122.25 2fes n ASN 78 Ca 0.16 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.59 2fes n ASN 78 Cb 0.23 -0.91 -0.01 0.00 -1.02 0.00 0.00 39.78 38.08 2fes n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2fes n ILE 79 N -2.00 0.80 -1.46 2.41 5.41 -0.37 -5.06 119.36 119.09 2fes n ILE 79 Ca 0.00 0.26 -0.31 0.00 1.00 0.00 0.00 62.75 63.70 2fes n ILE 79 Cb 0.00 -1.57 0.07 0.00 -0.71 0.00 0.00 39.64 37.43 2fes n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2fes s GLU 80 N -1.78 2.62 -0.03 0.38 -1.05 -0.63 -4.84 118.70 113.36 2fes s GLU 80 Ca -0.06 1.00 0.01 0.00 -0.15 0.00 0.00 54.97 55.77 2fes s GLU 80 Cb 0.01 -1.95 0.01 0.00 -0.44 0.00 0.00 34.13 31.76 2fes s GLU 80 CO 0.08 -1.34 -0.05 0.21 0.95 0.00 0.00 175.26 175.11 2fes s LYS 81 N -5.01 0.77 -0.17 -4.83 2.20 0.96 -4.91 119.74 108.76 2fes s LYS 81 Ca 0.59 -0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.99 2fes s LYS 81 Cb -0.15 -0.76 -0.04 0.00 -1.51 0.00 0.00 37.83 35.37 2fes s LYS 81 CO 0.55 -0.01 0.03 0.42 -0.36 0.00 0.00 175.35 175.98 2fes s ILE 82 N 0.61 4.54 0.13 5.43 1.01 -1.26 -0.15 121.20 131.51 2fes s ILE 82 Ca -0.08 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.51 2fes s ILE 82 Cb -0.11 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2fes s ILE 82 CO 0.00 0.48 -0.15 -0.44 0.00 0.00 0.00 174.94 174.83 2fes s SER 83 N 0.24 2.18 0.22 3.58 0.01 -0.10 -4.98 113.70 114.84 2fes s SER 83 Ca 0.02 -0.81 0.04 0.00 1.31 0.00 0.00 55.95 56.52 2fes s SER 83 Cb -0.13 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2fes s SER 83 CO 0.01 -0.10 0.34 -0.04 0.41 0.00 0.00 173.24 173.86 2fes s MET 84 N -2.61 3.44 -0.08 12.44 -1.94 -1.26 -1.48 119.30 127.80 2fes s MET 84 Ca 0.10 -0.71 -0.15 0.00 -1.71 0.00 0.00 55.69 53.21 2fes s MET 84 Cb -0.06 -2.91 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 2fes s MET 84 CO 0.04 0.45 0.40 -0.51 -0.01 0.00 0.00 175.02 175.39 2fes s LEU 85 N -3.78 4.35 -0.20 -0.03 1.43 -1.26 -1.48 118.68 117.71 2fes s LEU 85 Ca 0.34 0.79 -0.19 0.00 -1.03 0.00 0.00 54.13 54.04 2fes s LEU 85 Cb -0.10 -2.56 -0.19 0.00 0.03 0.00 0.00 46.19 43.37 2fes s LEU 85 CO 0.29 0.16 0.19 1.21 0.23 0.00 0.00 176.35 178.43 2fes n GLU 86 N 2.88 0.59 -3.76 1.70 2.13 0.18 -4.75 120.64 119.61 2fes n GLU 86 Ca -0.11 0.52 -0.13 0.00 0.66 0.00 0.00 57.16 58.09 2fes n GLU 86 Cb 0.52 -1.73 -0.09 0.00 0.27 0.00 0.00 31.44 30.41 2fes n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2fes s LYS 87 N -2.40 0.63 -0.02 5.31 2.36 -1.18 -4.99 119.74 119.45 2fes s LYS 87 Ca -0.29 -0.06 0.07 0.00 -2.55 0.00 0.00 55.97 53.14 2fes s LYS 87 Cb 0.07 0.28 -0.02 0.00 -1.05 0.00 0.00 37.83 37.10 2fes s LYS 87 CO 0.60 -0.16 -0.22 0.42 1.55 0.00 0.00 175.35 177.55 2fes s ILE 88 N -1.04 2.42 -0.16 5.43 1.01 -1.26 -0.83 121.20 126.76 2fes s ILE 88 Ca -0.11 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 2fes s ILE 88 Cb -0.05 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.57 2fes s ILE 88 CO 0.04 0.55 -0.02 -0.31 0.00 0.00 0.00 174.94 175.20 2fes s TYR 89 N -0.69 1.38 0.09 3.97 1.51 0.03 -5.01 117.35 118.63 2fes s TYR 89 Ca 0.11 -0.91 -0.09 0.00 -1.01 0.00 0.00 57.07 55.18 2fes s TYR 89 Cb -0.10 -1.16 -0.06 0.00 -0.11 0.00 0.00 41.96 40.53 2fes s TYR 89 CO 0.00 -0.58 0.39 0.42 -1.11 0.00 0.00 175.55 174.68 2fes s ILE 90 N 1.74 5.12 0.17 2.71 -1.09 -1.26 -1.48 121.20 127.11 2fes s ILE 90 Ca 0.01 0.35 -0.32 0.00 -2.23 0.00 0.00 60.65 58.46 2fes s ILE 90 Cb -0.15 -3.63 -0.11 0.00 -1.58 0.00 0.00 42.46 36.98 2fes s ILE 90 CO -0.07 0.23 1.65 -2.28 -1.23 0.00 0.00 174.94 173.24 2fes s HIS 91 N -1.46 2.92 0.57 3.97 2.46 -1.13 -4.86 115.29 117.76 2fes s HIS 91 Ca 0.35 0.46 0.29 0.00 0.47 0.00 0.00 55.06 56.62 2fes s HIS 91 Cb -0.13 -4.03 1.48 0.00 -0.13 0.00 0.00 32.58 29.77 2fes s HIS 91 CO 0.19 -3.88 1.93 -1.00 -2.47 0.00 0.00 174.74 169.51 2fes h PRO 92 N 6.98 0.00 -0.40 2.88 0.13 -1.95 -1.61 132.00 138.04 2fes h PRO 92 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 2fes h PRO 92 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 2fes h PRO 92 CO 0.93 0.00 0.04 0.54 -0.23 0.00 0.00 178.00 179.29 2fes n ARG 93 N -3.93 2.59 -1.76 0.86 1.74 -1.26 -4.99 116.66 109.91 2fes n ARG 93 Ca 0.10 -3.01 -0.42 0.00 -0.77 0.00 0.00 57.85 53.74 2fes n ARG 93 Cb 0.67 -1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 2fes n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2fes s TYR 94 N -3.03 2.14 -0.80 -1.55 5.04 -0.61 -4.73 117.35 113.81 2fes s TYR 94 Ca 0.46 0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 55.02 2fes s TYR 94 Cb 0.39 -4.14 0.21 0.00 0.35 0.00 0.00 41.96 38.76 2fes s TYR 94 CO 0.06 -4.71 0.70 1.21 -1.34 0.00 0.00 175.55 171.48 2fes s ASN 95 N 2.77 6.22 0.24 4.32 3.84 -0.01 -4.86 114.94 127.47 2fes s ASN 95 Ca 0.80 -2.98 0.25 0.00 0.21 0.00 0.00 52.86 51.14 2fes s ASN 95 Cb -0.44 -2.05 0.67 0.00 -0.55 0.00 0.00 41.25 38.87 2fes s ASN 95 CO 0.36 -0.42 1.70 4.11 -2.79 0.00 0.00 177.10 180.05 2fes h TRP 96 N 7.18 0.00 -0.13 0.43 5.08 -1.92 0.19 115.95 126.77 2fes h TRP 96 Ca 0.08 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.99 2fes h TRP 96 Cb 0.96 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.12 2fes h TRP 96 CO 0.86 0.00 -0.16 0.00 -1.28 0.00 0.00 178.44 177.86 2fes h ARG 97 N 0.00 0.34 0.00 0.12 3.08 -1.99 -3.42 114.38 112.50 2fes h ARG 97 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2fes h ARG 97 Cb 0.79 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2fes h ARG 97 CO 0.00 0.76 -0.92 0.39 -1.07 0.00 0.00 179.97 179.13 2fes n GLU 97 N -4.55 0.49 -0.88 0.04 1.02 -1.26 -4.96 120.64 110.55 2fes n GLU 97 Ca -0.06 0.19 0.01 0.00 -0.02 0.00 0.00 57.16 57.28 2fes n GLU 97 Cb 0.38 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 2fes n GLU 97 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2fes n ASN 98 N -4.32 0.29 -3.15 1.62 0.23 -1.24 -4.87 115.26 103.81 2fes n ASN 98 Ca -0.13 -1.91 -0.23 0.00 -0.53 0.00 0.00 54.58 51.79 2fes n ASN 98 Cb 0.48 -0.19 0.02 0.00 -2.08 0.00 0.00 39.78 38.01 2fes n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2fes n LEU 99 N 0.17 -2.20 -4.76 -4.53 4.77 0.64 -4.91 117.00 106.18 2fes n LEU 99 Ca 0.00 -0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.25 2fes n LEU 99 Cb 0.84 -2.62 -0.02 0.00 -2.33 0.00 0.00 43.42 39.29 2fes n LEU 99 CO -0.02 0.20 1.05 -0.62 -1.33 0.00 0.00 177.39 176.66 2fes s ASP 100 N -2.70 6.71 -1.22 -1.43 3.68 -1.14 -2.89 116.67 117.68 2fes s ASP 100 Ca 0.34 2.67 -0.01 0.00 2.13 0.00 0.00 52.55 57.68 2fes s ASP 100 Cb -0.16 -2.63 0.00 0.00 -1.45 0.00 0.00 42.92 38.67 2fes s ASP 100 CO 0.42 -0.63 1.02 0.54 0.13 0.00 0.00 175.17 176.64 2fes n ARG 101 N 1.65 -6.75 -2.52 4.34 1.74 -1.26 -0.83 116.66 113.03 2fes n ARG 101 Ca 0.04 0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 57.54 2fes n ARG 101 Cb 0.41 -5.87 -0.00 0.00 -1.02 0.00 0.00 32.46 25.98 2fes n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2fes n ASP 102 N -3.12 4.77 -3.76 0.55 4.64 -1.14 -4.41 116.55 114.08 2fes n ASP 102 Ca -0.26 -2.90 -0.13 0.00 -1.38 0.00 0.00 54.79 50.12 2fes n ASP 102 Cb 0.66 -1.75 -0.09 0.00 -1.04 0.00 0.00 41.12 38.91 2fes n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 2fes s ILE 103 N 4.72 0.05 -0.10 5.18 2.07 -1.26 -3.81 121.20 128.05 2fes s ILE 103 Ca 0.55 -0.44 -0.21 0.00 -1.41 0.00 0.00 60.65 59.14 2fes s ILE 103 Cb 0.04 -0.60 0.05 0.00 0.13 0.00 0.00 42.46 42.08 2fes s ILE 103 CO 0.08 -0.24 0.52 0.00 -1.91 0.00 0.00 174.94 173.39 2fes s ALA 104 N -1.20 -1.31 -0.03 1.50 0.00 -0.23 -2.85 121.76 117.63 2fes s ALA 104 Ca -0.12 1.12 0.04 0.00 0.00 0.00 0.00 51.96 52.99 2fes s ALA 104 Cb -0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2fes s ALA 104 CO 0.04 -0.29 -0.13 -0.51 0.00 0.00 0.00 175.76 174.87 2fes s LEU 105 N -0.62 2.82 -0.09 0.00 1.43 -0.55 -1.61 118.68 120.06 2fes s LEU 105 Ca -0.07 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2fes s LEU 105 Cb -0.03 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.61 2fes s LEU 105 CO 0.05 0.33 -0.15 -0.04 0.23 0.00 0.00 176.35 176.77 2fes s MET 106 N -0.91 2.08 -0.23 1.70 -1.94 -0.30 -0.79 119.30 118.90 2fes s MET 106 Ca 0.13 -0.53 -0.14 0.00 -1.71 0.00 0.00 55.69 53.44 2fes s MET 106 Cb -0.11 -1.72 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 2fes s MET 106 CO 0.02 0.00 0.33 0.21 -0.01 0.00 0.00 175.02 175.57 2fes s LYS 107 N 0.78 4.09 0.36 2.03 2.20 -0.01 -1.47 119.74 127.71 2fes s LYS 107 Ca -0.11 0.02 -0.26 0.00 -0.36 0.00 0.00 55.97 55.25 2fes s LYS 107 Cb -0.16 -3.58 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 2fes s LYS 107 CO 0.02 -0.09 1.08 -0.51 -0.36 0.00 0.00 175.35 175.49 2fes s LEU 108 N 1.50 4.30 0.13 5.43 1.02 0.14 0.48 118.68 131.67 2fes s LEU 108 Ca 0.15 2.16 -0.19 0.00 0.02 0.00 0.00 54.13 56.26 2fes s LEU 108 Cb -0.15 -3.96 -0.04 0.00 0.02 0.00 0.00 46.19 42.06 2fes s LEU 108 CO 0.08 -0.39 1.74 0.11 0.02 0.00 0.00 176.35 177.92 2fes h LYS 109 N 3.00 0.15 -6.20 1.70 1.57 -1.55 -3.42 116.57 111.81 2fes h LYS 109 Ca -0.48 -0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 57.73 2fes h LYS 109 Cb 1.22 -0.03 -0.20 0.00 0.08 0.00 0.00 32.23 33.29 2fes h LYS 109 CO 0.64 0.10 -0.82 0.15 -0.57 0.00 0.00 179.45 178.95 2fes s LYS 110 N -6.18 1.22 0.61 3.15 1.02 -1.26 -4.99 119.74 113.31 2fes s LYS 110 Ca -0.13 -1.28 -0.19 0.00 0.02 0.00 0.00 55.97 54.39 2fes s LYS 110 Cb 0.09 -1.45 -0.03 0.00 -0.52 0.00 0.00 37.83 35.92 2fes s LYS 110 CO 0.69 0.32 1.25 -2.14 -0.92 0.00 0.00 175.35 174.55 2fes s PRO 111 N -2.25 2.83 -0.07 -1.68 0.02 -1.26 -4.87 135.00 127.71 2fes s PRO 111 Ca 0.11 1.93 -0.07 0.00 0.02 0.00 0.00 61.00 63.00 2fes s PRO 111 Cb -0.09 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 2fes s PRO 111 CO 0.06 -1.35 0.19 0.08 -0.33 0.00 0.00 177.00 175.65 2fes s VAL 112 N -1.50 5.43 -0.12 3.83 1.01 -0.20 -5.02 120.40 123.83 2fes s VAL 112 Ca 0.79 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.73 2fes s VAL 112 Cb -0.33 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2fes s VAL 112 CO 0.36 0.53 0.66 0.00 0.00 0.00 0.00 175.10 176.65 2fes s ALA 113 N -1.12 3.43 0.76 5.51 0.00 -1.26 -4.81 121.76 124.26 2fes s ALA 113 Ca 0.20 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 2fes s ALA 113 Cb -0.13 -2.95 0.05 0.00 0.00 0.00 0.00 23.12 20.10 2fes s ALA 113 CO 0.09 -0.26 1.09 -0.06 0.00 0.00 0.00 175.76 176.61 2fes s PHE 114 N 1.20 2.67 0.00 0.00 0.08 -1.26 -4.92 117.98 115.76 2fes s PHE 114 Ca 0.34 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.90 2fes s PHE 114 Cb -0.17 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 2fes s PHE 114 CO 0.14 -1.71 0.00 -1.13 -0.10 0.00 0.00 175.22 172.42 2fes n SER 115 N -3.46 0.00 0.22 1.36 3.41 -0.39 -4.95 113.62 109.81 2fes n SER 115 Ca 0.09 -0.62 0.08 0.00 -0.26 0.00 0.00 58.87 58.16 2fes n SER 115 Cb 0.53 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.98 2fes n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2fes h ASP 116 N 0.00 0.00 -0.02 4.04 3.45 -2.00 -3.10 116.42 118.79 2fes h ASP 116 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2fes h ASP 116 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2fes h ASP 116 CO 0.00 0.26 -0.00 -1.22 -1.57 0.00 0.00 179.24 176.71 2fes n TYR 117 N -3.68 0.00 -3.77 4.55 4.02 -1.26 -4.77 117.16 112.25 2fes n TYR 117 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 2fes n TYR 117 Cb 0.38 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.53 2fes n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2fes s ILE 118 N -1.25 0.58 -0.22 -0.72 1.01 -1.17 -4.16 121.20 115.26 2fes s ILE 118 Ca 0.17 -0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.21 2fes s ILE 118 Cb 0.12 -0.94 0.06 0.00 0.01 0.00 0.00 42.46 41.71 2fes s ILE 118 CO 0.19 -0.04 0.63 -2.28 0.00 0.00 0.00 174.94 173.44 2fes s HIS 119 N 1.85 -0.69 0.34 3.97 2.46 -0.27 -1.26 115.29 121.69 2fes s HIS 119 Ca 0.01 1.64 -0.27 0.00 0.47 0.00 0.00 55.06 56.92 2fes s HIS 119 Cb -0.16 0.25 -0.09 0.00 -0.13 0.00 0.00 32.58 32.45 2fes s HIS 119 CO -0.07 -0.35 1.04 -1.25 -2.47 0.00 0.00 174.74 171.63 2fes s PRO 120 N 0.22 4.44 0.50 2.88 0.04 -1.26 -2.70 135.00 139.11 2fes s PRO 120 Ca -0.01 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.55 2fes s PRO 120 Cb -0.04 -2.85 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 2fes s PRO 120 CO 0.01 0.10 0.80 0.54 0.04 0.00 0.00 177.00 178.49 2fes s VAL 121 N -1.46 4.72 0.37 -0.36 0.11 -0.63 -4.96 120.40 118.18 2fes s VAL 121 Ca 0.51 0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 59.61 2fes s VAL 121 Cb -0.25 -3.80 -0.07 0.00 -1.53 0.00 0.00 36.38 30.74 2fes s VAL 121 CO 0.31 -0.79 0.72 0.00 -3.33 0.00 0.00 175.10 172.02 2fes s LEU 123 N -3.65 4.18 0.67 0.00 2.96 -1.26 -1.58 118.68 119.99 2fes s LEU 123 Ca 0.50 0.25 -0.16 0.00 -0.22 0.00 0.00 54.13 54.51 2fes s LEU 123 Cb -0.10 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.53 2fes s LEU 123 CO 0.29 0.23 1.16 -2.16 -1.32 0.00 0.00 176.35 174.54 2fes s PRO 124 N 0.08 2.62 0.38 0.98 0.04 -1.26 -4.96 135.00 132.89 2fes s PRO 124 Ca 0.09 1.59 0.08 0.00 0.04 0.00 0.00 61.00 62.80 2fes s PRO 124 Cb -0.11 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2fes s PRO 124 CO -0.01 -1.43 0.11 0.16 0.04 0.00 0.00 177.00 175.87 2fes s ASP 125 N -2.20 4.31 0.24 6.66 3.84 -1.26 -4.91 116.67 123.35 2fes s ASP 125 Ca 0.71 -1.06 -0.08 0.00 -0.00 0.00 0.00 52.55 52.12 2fes s ASP 125 Cb -0.25 -0.51 0.39 0.00 -1.38 0.00 0.00 42.92 41.17 2fes s ASP 125 CO 0.41 -0.42 1.63 -0.09 -0.00 0.00 0.00 175.17 176.70 2fes h ARG 126 N 1.59 0.08 -0.61 2.11 9.65 -1.97 -2.24 114.38 122.99 2fes h ARG 126 Ca -0.43 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 2fes h ARG 126 Cb 1.25 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 2fes h ARG 126 CO 0.70 0.05 0.38 0.93 2.80 0.00 0.00 179.97 184.83 2fes h GLU 127 N 0.08 0.81 -1.16 0.20 3.07 -2.04 -1.48 114.58 114.06 2fes h GLU 127 Ca 0.39 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 2fes h GLU 127 Cb 0.66 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2fes h GLU 127 CO -0.67 0.57 0.00 2.41 -1.40 0.00 0.00 179.01 179.92 2fes n THR 128 N -4.63 0.29 0.00 1.13 -1.04 -0.84 -1.94 114.28 107.25 2fes n THR 128 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2fes n THR 128 Cb 0.04 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 2fes n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fes n ALA 129 N 0.60 0.00 0.09 2.41 0.00 -0.56 -1.08 120.51 121.97 2fes n ALA 129 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2fes n ALA 129 Cb 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.54 2fes n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2fes h SER 129 N 0.00 0.57 0.08 0.00 0.87 -1.64 -3.39 113.55 110.05 2fes h SER 129 Ca 0.00 -0.52 -0.23 0.00 -1.23 0.00 0.00 61.79 59.81 2fes h SER 129 Cb 0.00 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 2fes h SER 129 CO 0.00 1.35 -2.16 0.18 -0.53 0.00 0.00 176.83 175.67 2fes n LEU 129 N -3.69 0.10 -4.57 2.23 4.77 -0.24 -4.74 117.00 110.86 2fes n LEU 129 Ca -0.09 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.51 2fes n LEU 129 Cb 0.93 0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 42.31 2fes n LEU 129 CO 0.54 0.30 1.94 -0.76 -1.33 0.00 0.00 177.39 178.08 2fes s LEU 130 N -5.22 3.89 -0.00 2.23 1.43 -1.26 -4.84 118.68 114.90 2fes s LEU 130 Ca -0.09 -2.46 0.01 0.00 -1.03 0.00 0.00 54.13 50.56 2fes s LEU 130 Cb 0.09 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2fes s LEU 130 CO 0.85 -1.16 -0.01 -1.10 0.23 0.00 0.00 176.35 175.16 2fes s GLN 131 N 4.12 0.14 0.22 1.70 -0.21 -1.26 -4.92 119.66 119.44 2fes s GLN 131 Ca 0.53 -0.05 -0.32 0.00 0.02 0.00 0.00 55.36 55.55 2fes s GLN 131 Cb 0.04 -0.16 -0.14 0.00 1.00 0.00 0.00 33.01 33.75 2fes s GLN 131 CO 0.07 0.02 1.33 0.00 -2.12 0.00 0.00 175.29 174.60 2fes n ALA 132 N 3.14 0.55 0.00 6.09 0.00 -1.26 -1.33 120.51 127.69 2fes n ALA 132 Ca -0.14 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2fes n ALA 132 Cb 0.59 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2fes n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fes n GLY 133 N 2.10 2.98 3.72 0.00 0.00 -0.26 -4.94 105.19 108.79 2fes n GLY 133 Ca 0.13 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2fes n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fes s TYR 134 N -2.41 3.29 0.19 1.61 1.51 -0.44 -4.62 117.35 116.47 2fes s TYR 134 Ca 0.00 1.10 -0.12 0.00 -1.01 0.00 0.00 57.07 57.04 2fes s TYR 134 Cb 0.00 -3.60 -0.07 0.00 -0.11 0.00 0.00 41.96 38.18 2fes s TYR 134 CO 0.00 -2.01 0.54 0.15 -1.11 0.00 0.00 175.55 173.12 2fes s LYS 135 N 0.78 3.87 0.39 -0.62 1.02 -1.26 -1.30 119.74 122.62 2fes s LYS 135 Ca 0.61 0.36 0.04 0.00 0.02 0.00 0.00 55.97 57.00 2fes s LYS 135 Cb -0.35 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2fes s LYS 135 CO 0.32 0.39 0.07 0.20 -0.92 0.00 0.00 175.35 175.41 2fes s GLY 136 N -2.07 2.44 -0.08 -3.33 0.00 0.13 -4.86 107.32 99.56 2fes s GLY 136 Ca 0.43 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.63 2fes s GLY 136 CO 0.20 -1.91 -0.20 -1.60 0.00 0.00 0.00 173.10 169.59 2fes s ARG 137 N -3.81 2.45 0.03 2.90 3.52 0.14 -0.67 118.95 123.51 2fes s ARG 137 Ca 0.27 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 55.23 2fes s ARG 137 Cb 0.06 -1.94 -0.03 0.00 -1.56 0.00 0.00 34.95 31.48 2fes s ARG 137 CO 0.14 0.17 -0.19 0.08 -0.81 0.00 0.00 175.30 174.68 2fes s VAL 138 N 0.33 2.71 0.04 7.11 1.01 -0.51 -0.92 120.40 130.18 2fes s VAL 138 Ca -0.14 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.70 2fes s VAL 138 Cb -0.16 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2fes s VAL 138 CO 0.06 0.38 -0.06 0.42 0.00 0.00 0.00 175.10 175.89 2fes s THR 139 N -0.88 0.44 0.00 3.92 -4.23 -1.24 -1.79 115.64 111.86 2fes s THR 139 Ca 0.14 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2fes s THR 139 Cb -0.10 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.09 2fes s THR 139 CO 0.04 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 2fes n GLY 140 N 1.32 1.17 1.35 3.99 0.00 -0.70 -4.51 105.19 107.82 2fes n GLY 140 Ca -0.22 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 44.92 2fes n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2fes n TRP 141 N -0.39 1.53 -0.98 1.61 8.01 -1.26 -1.66 117.44 124.30 2fes n TRP 141 Ca 0.00 -1.20 -0.19 0.00 -1.31 0.00 0.00 57.50 54.80 2fes n TRP 141 Cb 0.00 -0.50 0.16 0.00 -2.01 0.00 0.00 31.31 28.96 2fes n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2fes n GLY 142 N -0.58 -2.45 3.73 6.99 0.00 -1.26 -4.61 105.19 107.02 2fes n GLY 142 Ca 0.32 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 2fes n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2fes s ASN 143 N -3.54 4.45 0.18 1.61 0.01 -0.43 -3.59 114.94 113.63 2fes s ASN 143 Ca 0.47 2.60 0.23 0.00 -0.71 0.00 0.00 52.86 55.44 2fes s ASN 143 Cb -0.04 -2.62 0.06 0.00 0.41 0.00 0.00 41.25 39.07 2fes s ASN 143 CO 0.35 -2.10 1.09 0.18 -1.51 0.00 0.00 177.10 175.11 2fes n LEU 144 N -2.09 0.81 -4.05 0.60 4.77 -0.62 -1.53 117.00 114.89 2fes n LEU 144 Ca 0.16 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 2fes n LEU 144 Cb 0.48 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2fes n LEU 144 CO 0.47 -0.15 0.07 -0.54 -1.33 0.00 0.00 177.39 175.91 2fes s LYS 145 N -3.32 1.47 0.17 3.23 1.02 -1.26 -4.31 119.74 116.73 2fes s LYS 145 Ca 0.01 -1.36 -0.30 0.00 0.02 0.00 0.00 55.97 54.34 2fes s LYS 145 Cb 0.11 0.42 -0.08 0.00 -0.52 0.00 0.00 37.83 37.75 2fes s LYS 145 CO 0.78 -0.58 1.27 -2.00 -0.92 0.00 0.00 175.35 173.89 2fes s GLU 146 N -4.04 4.42 0.51 1.68 2.12 -1.26 -4.95 118.70 117.18 2fes s GLU 146 Ca 0.27 1.97 0.06 0.00 0.36 0.00 0.00 54.97 57.62 2fes s GLU 146 Cb 0.01 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.19 2fes s GLU 146 CO 0.10 -0.21 0.34 0.99 -0.54 0.00 0.00 175.26 175.93 2fes s THR 147 N 0.24 1.83 0.00 -1.70 2.01 -1.26 -5.08 115.64 111.68 2fes s THR 147 Ca 0.56 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 61.02 2fes s THR 147 Cb -0.34 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 69.79 2fes s THR 147 CO 0.36 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2fes n GLY 150 N -1.62 1.11 3.72 4.40 0.00 -1.26 -5.18 105.19 106.37 2fes n GLY 150 Ca -0.02 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2fes n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fes s GLN 151 N 0.00 2.58 0.39 1.61 -0.21 -1.26 -1.58 119.66 121.19 2fes s GLN 151 Ca 0.00 -1.20 -0.05 0.00 0.02 0.00 0.00 55.36 54.13 2fes s GLN 151 Cb 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2fes s GLN 151 CO 0.00 0.40 0.67 -1.25 -2.12 0.00 0.00 175.29 172.99 2fes s PRO 152 N -3.59 3.60 -0.03 2.91 0.04 -1.26 -4.95 135.00 131.72 2fes s PRO 152 Ca 0.31 0.09 0.06 0.00 0.04 0.00 0.00 61.00 61.50 2fes s PRO 152 Cb -0.08 -2.51 -0.24 0.00 0.04 0.00 0.00 34.50 31.71 2fes s PRO 152 CO 0.22 0.01 0.73 0.66 0.04 0.00 0.00 177.00 178.66 2fes h SER 153 N 0.92 0.14 -2.84 6.66 4.64 -1.97 -3.43 113.55 117.68 2fes h SER 153 Ca -0.48 -0.26 -0.51 0.00 -0.47 0.00 0.00 61.79 60.08 2fes h SER 153 Cb 1.20 -0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 63.10 2fes h SER 153 CO 0.63 1.22 -0.72 0.68 -0.87 0.00 0.00 176.83 177.78 2fes s VAL 154 N -2.61 1.89 0.10 0.95 -7.23 -1.26 -0.45 120.40 111.79 2fes s VAL 154 Ca -0.08 -2.22 -0.36 0.00 -1.81 0.00 0.00 61.98 57.51 2fes s VAL 154 Cb 0.08 -2.26 -0.17 0.00 0.56 0.00 0.00 36.38 34.59 2fes s VAL 154 CO 0.82 -0.44 1.30 -0.11 -0.31 0.00 0.00 175.10 176.36 2fes n LEU 155 N -0.52 1.58 -4.83 1.32 7.94 0.10 -4.85 117.00 117.73 2fes n LEU 155 Ca -0.06 1.12 -0.33 0.00 -1.11 0.00 0.00 56.01 55.63 2fes n LEU 155 Cb 0.61 -1.19 -0.06 0.00 0.53 0.00 0.00 43.42 43.32 2fes n LEU 155 CO 0.37 -1.12 -0.21 -1.10 -1.11 0.00 0.00 177.39 174.23 2fes s GLN 156 N 0.32 3.21 0.04 1.96 -1.52 -0.66 -1.30 119.66 121.70 2fes s GLN 156 Ca 0.83 -0.44 0.04 0.00 -1.95 0.00 0.00 55.36 53.83 2fes s GLN 156 Cb -0.94 -2.95 -0.02 0.00 -0.22 0.00 0.00 33.01 28.88 2fes s GLN 156 CO 0.48 0.65 -0.11 0.54 -0.25 0.00 0.00 175.29 176.60 2fes s VAL 157 N -1.27 0.82 -0.13 1.09 0.11 -0.30 -1.71 120.40 119.00 2fes s VAL 157 Ca 0.25 -0.93 -0.15 0.00 -2.93 0.00 0.00 61.98 58.22 2fes s VAL 157 Cb -0.12 -0.78 0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2fes s VAL 157 CO 0.17 -0.12 0.40 0.54 -3.33 0.00 0.00 175.10 172.76 2fes s VAL 158 N -0.95 0.01 -0.22 2.04 0.11 -0.74 -1.72 120.40 118.93 2fes s VAL 158 Ca -0.02 -0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 58.88 2fes s VAL 158 Cb -0.08 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 2fes s VAL 158 CO 0.01 -0.03 0.09 0.20 -3.33 0.00 0.00 175.10 172.03 2fes s ASN 159 N -0.02 5.53 0.05 3.54 0.02 -1.26 -1.42 114.94 121.37 2fes s ASN 159 Ca -0.02 -0.04 0.05 0.00 -1.02 0.00 0.00 52.86 51.83 2fes s ASN 159 Cb -0.03 -1.98 -0.02 0.00 0.02 0.00 0.00 41.25 39.24 2fes s ASN 159 CO 0.01 0.06 -0.13 -0.76 0.02 0.00 0.00 177.10 176.30 2fes s LEU 160 N 1.06 2.20 0.23 0.60 1.43 0.16 -4.93 118.68 119.44 2fes s LEU 160 Ca 0.05 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 2fes s LEU 160 Cb -0.14 -0.54 -0.08 0.00 0.03 0.00 0.00 46.19 45.46 2fes s LEU 160 CO 0.03 -0.01 0.66 -2.16 0.23 0.00 0.00 176.35 175.10 2fes s PRO 161 N -1.32 4.05 0.37 1.29 0.04 -1.26 0.18 135.00 138.35 2fes s PRO 161 Ca -0.00 0.63 -0.25 0.00 0.04 0.00 0.00 61.00 61.42 2fes s PRO 161 Cb -0.08 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.64 2fes s PRO 161 CO 0.01 0.33 1.06 0.42 0.04 0.00 0.00 177.00 178.87 2fes s ILE 162 N -1.69 3.66 0.04 0.56 1.01 -0.42 -1.17 121.20 123.19 2fes s ILE 162 Ca 0.46 1.35 0.04 0.00 0.00 0.00 0.00 60.65 62.50 2fes s ILE 162 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2fes s ILE 162 CO 0.19 0.09 -0.07 -0.69 0.00 0.00 0.00 174.94 174.46 2fes s VAL 163 N -1.54 3.61 0.37 2.92 1.01 -0.53 -1.10 120.40 125.14 2fes s VAL 163 Ca 0.55 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 2fes s VAL 163 Cb -0.24 -2.62 -0.11 0.00 0.00 0.00 0.00 36.38 33.40 2fes s VAL 163 CO 0.31 0.29 1.17 -0.62 0.00 0.00 0.00 175.10 176.25 2fes n GLU 164 N 1.22 1.77 -0.14 2.72 4.71 -1.26 -4.62 120.64 125.04 2fes n GLU 164 Ca -0.14 0.63 -0.03 0.00 -0.01 0.00 0.00 57.16 57.60 2fes n GLU 164 Cb 0.52 -2.20 0.05 0.00 -1.01 0.00 0.00 31.44 28.80 2fes n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 2fes h ARG 165 N 2.09 0.13 -0.58 3.49 2.43 -1.98 -2.36 114.38 117.60 2fes h ARG 165 Ca -0.45 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 58.81 2fes h ARG 165 Cb 1.31 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 2fes h ARG 165 CO 0.60 0.09 0.17 -1.35 -1.51 0.00 0.00 179.97 177.97 2fes h PRO 166 N 0.14 0.32 -0.60 0.20 0.11 -1.99 -0.18 132.00 129.99 2fes h PRO 166 Ca 0.23 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 2fes h PRO 166 Cb 0.33 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 2fes h PRO 166 CO -0.36 0.21 0.25 0.28 -0.21 0.00 0.00 178.00 178.16 2fes h VAL 167 N 0.33 1.21 -0.39 3.15 2.07 -1.83 -1.51 116.25 119.27 2fes h VAL 167 Ca 0.29 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2fes h VAL 167 Cb 0.39 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2fes h VAL 167 CO -0.33 0.26 0.08 0.00 0.02 0.00 0.00 177.57 177.60 2fes h LYS 169 N 0.49 1.01 -0.04 0.00 3.64 -0.54 -2.86 116.57 118.27 2fes h LYS 169 Ca 0.12 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2fes h LYS 169 Cb 0.34 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2fes h LYS 169 CO 0.00 0.77 0.00 -0.25 -2.27 0.00 0.00 179.45 177.70 2fes n ASP 170 N -4.46 0.23 -0.54 4.20 8.00 -0.62 -3.47 116.55 119.89 2fes n ASP 170 Ca 0.06 -1.90 0.08 0.00 0.71 0.00 0.00 54.79 53.75 2fes n ASP 170 Cb 0.11 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.22 2fes n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2fes n SER 171 N -0.43 2.07 -3.91 -2.24 3.41 -1.08 -5.02 113.62 106.42 2fes n SER 171 Ca 0.04 -1.54 -0.09 0.00 -0.26 0.00 0.00 58.87 57.02 2fes n SER 171 Cb 0.05 0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 2fes n SER 171 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2fes s THR 172 N -1.66 0.04 -1.96 6.66 -4.23 -1.23 -4.88 115.64 108.39 2fes s THR 172 Ca 0.17 -1.23 0.23 0.00 -1.18 0.00 0.00 61.69 59.68 2fes s THR 172 Cb 0.14 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 72.11 2fes s THR 172 CO 0.30 -0.16 1.13 0.54 -0.54 0.00 0.00 174.62 175.90 2fes n ARG 173 N -0.30 1.11 -2.52 3.99 1.74 -1.26 -4.91 116.66 114.52 2fes n ARG 173 Ca -0.06 -0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 55.70 2fes n ARG 173 Cb 0.63 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 2fes n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2fes s ILE 174 N -2.51 4.16 -0.32 0.55 -1.09 -1.26 -4.97 121.20 115.77 2fes s ILE 174 Ca 0.19 1.65 -0.29 0.00 -2.23 0.00 0.00 60.65 59.97 2fes s ILE 174 Cb 0.18 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 2fes s ILE 174 CO 0.58 0.19 1.57 -0.60 -1.23 0.00 0.00 174.94 175.45 2fes s ARG 175 N 0.52 3.62 0.33 2.79 3.52 -1.26 -5.00 118.95 123.47 2fes s ARG 175 Ca 0.54 1.34 -0.09 0.00 -0.13 0.00 0.00 55.73 57.38 2fes s ARG 175 Cb -0.28 -4.06 -0.06 0.00 -1.56 0.00 0.00 34.95 28.99 2fes s ARG 175 CO 0.31 -1.51 0.66 0.96 -0.81 0.00 0.00 175.30 174.91 2fes s ILE 176 N 5.63 4.88 0.51 4.11 -4.36 -1.26 -4.79 121.20 125.92 2fes s ILE 176 Ca 0.69 0.44 0.01 0.00 -0.26 0.00 0.00 60.65 61.53 2fes s ILE 176 Cb -0.20 -3.70 -0.01 0.00 1.25 0.00 0.00 42.46 39.80 2fes s ILE 176 CO 0.31 -0.35 0.01 0.42 0.24 0.00 0.00 174.94 175.57 2fes s THR 177 N -2.15 1.10 -0.21 8.37 -4.23 -1.26 -5.03 115.64 112.24 2fes s THR 177 Ca 0.48 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.28 2fes s THR 177 Cb -0.11 -2.14 0.32 0.00 1.34 0.00 0.00 72.50 71.92 2fes s THR 177 CO 0.28 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.64 2fes h ASP 178 N 1.36 0.00 -0.19 3.99 3.45 -2.03 -3.07 116.42 119.93 2fes h ASP 178 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 2fes h ASP 178 Cb 1.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 2fes h ASP 178 CO 0.73 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.99 2fes n ASN 179 N -2.69 2.27 -3.79 6.45 5.03 -1.26 -4.86 115.26 116.41 2fes n ASN 179 Ca 0.02 -2.24 -0.09 0.00 0.87 0.00 0.00 54.58 53.13 2fes n ASN 179 Cb 0.29 -0.49 -0.06 0.00 -1.02 0.00 0.00 39.78 38.49 2fes n ASN 179 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2fes s MET 180 N -1.57 0.96 0.13 3.52 0.23 -1.16 -0.94 119.30 120.47 2fes s MET 180 Ca 0.17 -0.90 -0.11 0.00 -1.03 0.00 0.00 55.69 53.82 2fes s MET 180 Cb 0.12 0.39 0.00 0.00 -1.53 0.00 0.00 34.83 33.82 2fes s MET 180 CO 0.06 -0.34 0.29 -0.59 -2.03 0.00 0.00 175.02 172.41 2fes s PHE 181 N -3.85 0.17 0.22 3.16 -0.12 -0.62 -4.83 117.98 112.11 2fes s PHE 181 Ca 0.05 -0.55 0.11 0.00 -0.05 0.00 0.00 56.93 56.49 2fes s PHE 181 Cb 0.04 0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 2fes s PHE 181 CO -0.10 -0.67 -0.20 0.00 -0.05 0.00 0.00 175.22 174.20 2fes s ALA 183 N -2.23 -0.44 0.00 0.00 0.00 -0.34 -1.45 121.76 117.30 2fes s ALA 183 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2fes s ALA 183 Cb -0.05 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2fes s ALA 183 CO 0.11 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2fes n GLY 184 N 1.43 2.99 3.82 0.00 0.00 -0.32 -2.62 105.19 110.49 2fes n GLY 184 Ca -0.22 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 2fes n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fes s TYR 184 N -2.00 3.50 0.73 1.61 1.51 -1.26 -4.55 117.35 116.89 2fes s TYR 184 Ca 0.00 1.45 -0.11 0.00 -1.01 0.00 0.00 57.07 57.40 2fes s TYR 184 Cb 0.00 -2.69 0.03 0.00 -0.11 0.00 0.00 41.96 39.18 2fes s TYR 184 CO 0.00 0.15 1.10 0.15 -1.11 0.00 0.00 175.55 175.84 2fes s LYS 185 N -2.54 2.67 0.38 -0.62 1.02 -1.26 -4.85 119.74 114.54 2fes s LYS 185 Ca 0.51 0.46 0.14 0.00 0.02 0.00 0.00 55.97 57.11 2fes s LYS 185 Cb -0.13 -2.00 0.97 0.00 -0.52 0.00 0.00 37.83 36.15 2fes s LYS 185 CO 0.19 -1.17 1.81 -1.35 -0.92 0.00 0.00 175.35 173.91 2fes h PRO 186 N -0.75 0.51 -0.64 -1.68 0.11 -1.96 -2.42 132.00 125.17 2fes h PRO 186 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2fes h PRO 186 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2fes h PRO 186 CO 0.63 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 2fes n ASP 186 N -4.62 5.15 -0.53 -2.05 5.68 -1.26 -4.31 116.55 114.61 2fes n ASP 186 Ca 0.22 -2.60 0.14 0.00 -0.50 0.00 0.00 54.79 52.04 2fes n ASP 186 Cb 0.70 -0.62 0.46 0.00 -1.14 0.00 0.00 41.12 40.51 2fes n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2fes n GLU 186 N 1.01 1.70 0.00 0.11 1.02 -0.91 -4.97 120.64 118.60 2fes n GLU 186 Ca 0.27 -1.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 2fes n GLU 186 Cb 1.00 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 2fes n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fes n GLY 186 N 1.21 2.15 3.72 0.62 0.00 -1.26 -4.93 105.19 106.70 2fes n GLY 186 Ca 0.18 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2fes n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fes s LYS 186 N 0.00 1.90 0.22 1.61 1.02 -1.26 -5.05 119.74 118.17 2fes s LYS 186 Ca 0.00 1.63 0.05 0.00 0.02 0.00 0.00 55.97 57.67 2fes s LYS 186 Cb 0.00 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.47 2fes s LYS 186 CO 0.00 -1.99 0.19 2.89 -0.92 0.00 0.00 175.35 175.52 2fes n ARG 187 N -3.16 0.28 0.00 1.68 1.85 -1.26 -4.73 116.66 111.31 2fes n ARG 187 Ca 0.12 -2.14 0.00 0.00 -1.00 0.00 0.00 57.85 54.84 2fes n ARG 187 Cb 0.51 1.78 0.00 0.00 -1.05 0.00 0.00 32.46 33.70 2fes n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2fes n GLY 188 N -0.41 4.52 3.61 2.89 0.00 -1.26 -4.92 105.19 109.62 2fes n GLY 188 Ca 0.05 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 2fes n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2fes s ASP 189 N 0.00 -0.14 0.73 1.61 3.68 -1.07 -4.62 116.67 116.86 2fes s ASP 189 Ca 0.00 -0.10 -0.07 0.00 2.13 0.00 0.00 52.55 54.51 2fes s ASP 189 Cb 0.00 0.22 0.08 0.00 -1.45 0.00 0.00 42.92 41.77 2fes s ASP 189 CO 0.00 -0.39 1.04 0.00 0.13 0.00 0.00 175.17 175.95 2fes s ALA 190 N -2.62 3.11 0.28 3.66 0.00 -1.26 -0.61 121.76 124.32 2fes s ALA 190 Ca 0.11 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 2fes s ALA 190 Cb 0.01 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.59 2fes s ALA 190 CO -0.04 -1.42 0.46 0.00 0.00 0.00 0.00 175.76 174.76 2fes n GLU 192 N -0.42 1.35 0.00 0.00 2.13 -1.26 -1.14 120.64 121.30 2fes n GLU 192 Ca -0.03 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2fes n GLU 192 Cb 0.44 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2fes n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fes n GLY 193 N 2.08 3.36 0.03 8.31 0.00 -1.26 -1.32 105.19 116.39 2fes n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2fes n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fes n ASP 194 N 0.00 0.53 -4.46 1.61 10.43 -0.29 -4.13 116.55 120.24 2fes n ASP 194 Ca 0.00 0.06 -0.53 0.00 2.57 0.00 0.00 54.79 56.90 2fes n ASP 194 Cb 0.00 0.03 -0.05 0.00 1.84 0.00 0.00 41.12 42.94 2fes n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2fes n SER 195 N -1.80 -0.46 0.00 -2.24 7.64 -1.26 -0.76 113.62 114.74 2fes n SER 195 Ca 0.05 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2fes n SER 195 Cb 0.38 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2fes n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fes n GLY 196 N 1.78 2.43 3.72 0.23 0.00 -0.73 0.56 105.19 113.18 2fes n GLY 196 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2fes n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fes s GLY 197 N -1.90 2.14 0.14 -0.02 0.00 0.06 -3.03 107.32 104.71 2fes s GLY 197 Ca 0.00 0.73 -0.25 0.00 0.00 0.00 0.00 44.72 45.20 2fes s GLY 197 CO 0.00 1.13 0.77 2.56 0.00 0.00 0.00 173.10 177.56 2fes s PRO 198 N -4.16 4.54 -0.33 2.90 0.04 -1.26 -0.91 135.00 135.82 2fes s PRO 198 Ca 0.71 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 2fes s PRO 198 Cb -0.26 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.03 2fes s PRO 198 CO 0.48 0.51 0.11 0.12 0.04 0.00 0.00 177.00 178.27 2fes s PHE 199 N -0.92 3.23 0.31 0.56 5.36 -0.29 -3.73 117.98 122.49 2fes s PHE 199 Ca 0.36 -1.27 0.11 0.00 -0.96 0.00 0.00 56.93 55.17 2fes s PHE 199 Cb -0.22 -2.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.11 2fes s PHE 199 CO 0.25 -0.69 -0.12 0.14 -1.46 0.00 0.00 175.22 173.35 2fes s VAL 200 N 1.44 2.54 0.02 3.12 -7.23 -0.10 -1.17 120.40 119.02 2fes s VAL 200 Ca -0.00 -2.23 0.01 0.00 -1.81 0.00 0.00 61.98 57.94 2fes s VAL 200 Cb -0.19 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2fes s VAL 200 CO 0.03 -0.31 -0.04 -0.04 -0.31 0.00 0.00 175.10 174.43 2fes s MET 201 N -3.59 0.33 -0.28 4.82 -1.94 -0.10 -0.69 119.30 117.87 2fes s MET 201 Ca 0.32 -0.42 -0.12 0.00 -1.71 0.00 0.00 55.69 53.75 2fes s MET 201 Cb -0.02 -0.15 -0.05 0.00 2.01 0.00 0.00 34.83 36.62 2fes s MET 201 CO 0.17 0.03 0.26 0.21 -0.01 0.00 0.00 175.02 175.67 2fes s LYS 202 N -0.86 3.98 0.10 2.03 2.20 -1.26 -0.40 119.74 125.52 2fes s LYS 202 Ca -0.07 -0.18 -0.31 0.00 -0.36 0.00 0.00 55.97 55.05 2fes s LYS 202 Cb -0.06 -3.66 -0.08 0.00 -1.51 0.00 0.00 37.83 32.53 2fes s LYS 202 CO -0.00 -0.21 1.40 0.45 -0.36 0.00 0.00 175.35 176.62 2fes s SER 203 N 1.71 6.82 0.08 1.43 0.15 0.08 -4.89 113.70 119.08 2fes s SER 203 Ca 0.10 2.30 0.26 0.00 0.70 0.00 0.00 55.95 59.31 2fes s SER 203 Cb -0.16 -2.58 1.02 0.00 -1.71 0.00 0.00 66.02 62.59 2fes s SER 203 CO 0.11 -0.67 1.81 -0.81 1.20 0.00 0.00 173.24 174.88 2fes n PRO 204 N 4.18 0.09 -0.07 5.44 -0.04 -1.26 -1.53 135.00 141.80 2fes n PRO 204 Ca 0.12 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 2fes n PRO 204 Cb 0.42 -1.61 -0.12 0.00 -0.04 0.00 0.00 33.50 32.15 2fes n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2fes h PHE 204 N 0.00 0.00 -0.03 0.54 0.04 -1.96 -3.40 116.94 112.13 2fes h PHE 204 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2fes h PHE 204 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 2fes h PHE 204 CO 0.00 0.98 0.00 0.27 -0.60 0.00 0.00 178.31 178.96 2fes n ASN 204 N -4.60 1.68 0.00 2.17 0.23 -1.25 -5.01 115.26 108.49 2fes n ASN 204 Ca -0.12 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.33 2fes n ASN 204 Cb 0.47 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2fes n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2fes n ASN 205 N -0.18 -3.15 -4.88 0.53 3.02 -0.58 -5.01 115.26 105.00 2fes n ASN 205 Ca 0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.26 2fes n ASN 205 Cb 0.17 -1.70 -0.04 0.00 -0.61 0.00 0.00 39.78 37.59 2fes n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2fes s ARG 206 N -0.81 3.74 -0.09 3.52 0.52 -1.25 -4.75 118.95 119.83 2fes s ARG 206 Ca 0.00 0.21 -0.19 0.00 -0.52 0.00 0.00 55.73 55.23 2fes s ARG 206 Cb 0.00 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 2fes s ARG 206 CO 0.00 0.23 0.52 -1.58 0.02 0.00 0.00 175.30 174.50 2fes s TRP 207 N -1.98 3.56 0.02 -0.53 0.52 -1.26 -0.74 118.94 118.53 2fes s TRP 207 Ca 0.47 0.99 0.08 0.00 0.02 0.00 0.00 56.10 57.66 2fes s TRP 207 Cb -0.11 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.60 2fes s TRP 207 CO 0.25 0.21 -0.22 0.71 0.02 0.00 0.00 176.95 177.92 2fes s TYR 208 N 0.45 2.44 -0.43 -1.98 2.02 0.46 -1.54 117.35 118.76 2fes s TYR 208 Ca 0.28 -0.34 -0.18 0.00 -0.37 0.00 0.00 57.07 56.46 2fes s TYR 208 Cb -0.16 -1.46 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 2fes s TYR 208 CO 0.13 0.14 0.51 -1.14 -1.57 0.00 0.00 175.55 173.62 2fes s GLN 209 N -1.14 3.15 -0.06 -0.62 0.74 -0.62 -0.92 119.66 120.19 2fes s GLN 209 Ca 0.12 -0.65 0.13 0.00 0.05 0.00 0.00 55.36 55.01 2fes s GLN 209 Cb -0.10 -3.97 -0.23 0.00 1.10 0.00 0.00 33.01 29.80 2fes s GLN 209 CO 0.02 -0.93 0.58 -1.33 -0.55 0.00 0.00 175.29 173.09 2fes n MET 210 N 5.84 0.64 -4.15 1.67 2.81 -0.32 -4.39 117.12 119.23 2fes n MET 210 Ca -0.05 0.26 -0.14 0.00 -1.81 0.00 0.00 57.70 55.95 2fes n MET 210 Cb 0.47 -1.76 -0.07 0.00 -0.71 0.00 0.00 33.22 31.16 2fes n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2fes s GLY 211 N -5.17 1.53 -0.03 3.03 0.00 -0.91 -1.85 107.32 103.92 2fes s GLY 211 Ca -0.06 -1.60 0.03 0.00 0.00 0.00 0.00 44.72 43.10 2fes s GLY 211 CO 0.82 -1.15 -0.12 -0.42 0.00 0.00 0.00 173.10 172.23 2fes s ILE 212 N -3.57 0.98 -0.15 0.90 1.01 -1.05 -1.13 121.20 118.19 2fes s ILE 212 Ca 0.34 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 2fes s ILE 212 Cb 0.02 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.58 2fes s ILE 212 CO 0.18 0.29 2.15 -0.69 0.00 0.00 0.00 174.94 176.87 2fes s VAL 213 N 0.07 3.01 -0.00 2.92 1.01 -0.09 -1.08 120.40 126.24 2fes s VAL 213 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 2fes s VAL 213 Cb -0.09 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 2fes s VAL 213 CO 0.01 -0.01 -0.01 -0.24 0.00 0.00 0.00 175.10 174.86 2fes n SER 214 N 10.52 0.04 -3.84 3.32 2.88 -0.52 -1.77 113.62 124.25 2fes n SER 214 Ca 0.27 0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.72 2fes n SER 214 Cb 0.44 -0.34 -0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2fes n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2fes s TRP 215 N -1.04 0.46 0.14 0.66 1.48 -0.99 -4.93 118.94 114.72 2fes s TRP 215 Ca -0.01 -0.82 -0.24 0.00 -1.06 0.00 0.00 56.10 53.97 2fes s TRP 215 Cb 0.00 0.17 0.08 0.00 -1.16 0.00 0.00 33.47 32.57 2fes s TRP 215 CO 0.01 -1.04 1.08 0.20 -4.06 0.00 0.00 176.95 173.14 2fes s GLY 216 N -3.05 -0.03 -0.40 3.67 0.00 -1.26 -0.13 107.32 106.11 2fes s GLY 216 Ca 0.23 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.88 2fes s GLY 216 CO 0.11 2.13 0.14 -0.54 0.00 0.00 0.00 173.10 174.94 2fes s GLU 217 N -2.38 1.49 1.36 2.90 2.02 -1.26 -5.02 118.70 117.81 2fes s GLU 217 Ca 0.20 -2.00 0.00 0.00 0.02 0.00 0.00 54.97 53.19 2fes s GLU 217 Cb -0.01 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.26 2fes s GLU 217 CO 0.03 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.70 2fes n GLY 219 N 3.91 -1.55 3.01 -1.39 0.00 -1.26 -4.79 105.19 103.12 2fes n GLY 219 Ca 0.04 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 2fes n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fes n ASP 221 N 5.01 -6.14 -4.79 0.00 2.03 -1.26 -4.61 116.55 106.79 2fes n ASP 221 Ca -0.12 -0.36 -0.39 0.00 0.52 0.00 0.00 54.79 54.45 2fes n ASP 221 Cb 0.51 -4.93 -0.06 0.00 -0.72 0.00 0.00 41.12 35.92 2fes n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2fes s ARG 221 N -5.87 4.36 0.37 -0.67 0.52 -1.26 -4.95 118.95 111.45 2fes s ARG 221 Ca 0.38 0.91 -0.28 0.00 -0.52 0.00 0.00 55.73 56.22 2fes s ARG 221 Cb -0.17 -3.26 -0.10 0.00 0.52 0.00 0.00 34.95 31.94 2fes s ARG 221 CO 0.47 0.58 1.40 -0.51 0.02 0.00 0.00 175.30 177.26 2fes s ASP 222 N -1.00 6.44 0.00 0.23 1.11 -1.26 -1.94 116.67 120.24 2fes s ASP 222 Ca 0.32 2.87 0.00 0.00 0.18 0.00 0.00 52.55 55.92 2fes s ASP 222 Cb -0.21 -2.66 0.00 0.00 1.07 0.00 0.00 42.92 41.12 2fes s ASP 222 CO 0.22 -0.79 0.00 0.61 1.18 0.00 0.00 175.17 176.39 2fes n GLY 223 N 0.61 1.38 3.56 0.21 0.00 -1.26 -5.01 105.19 104.67 2fes n GLY 223 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2fes n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fes s LYS 224 N -0.02 2.05 0.04 1.61 -0.14 -0.82 -4.81 119.74 117.66 2fes s LYS 224 Ca 0.00 -1.20 0.02 0.00 -1.36 0.00 0.00 55.97 53.43 2fes s LYS 224 Cb 0.00 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 2fes s LYS 224 CO 0.00 0.46 -0.08 0.71 -0.76 0.00 0.00 175.35 175.67 2fes s TYR 225 N -1.53 0.72 0.27 3.18 1.51 -1.26 -4.73 117.35 115.51 2fes s TYR 225 Ca 0.23 -0.50 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 2fes s TYR 225 Cb -0.09 -0.43 -0.09 0.00 -0.11 0.00 0.00 41.96 41.24 2fes s TYR 225 CO 0.14 -0.07 0.95 0.20 -1.11 0.00 0.00 175.55 175.66 2fes s GLY 226 N -1.59 3.01 -0.01 0.71 0.00 -1.08 -4.65 107.32 103.71 2fes s GLY 226 Ca -0.09 0.60 0.02 0.00 0.00 0.00 0.00 44.72 45.25 2fes s GLY 226 CO 0.01 1.13 -0.03 -1.36 0.00 0.00 0.00 173.10 172.85 2fes s PHE 227 N -1.33 3.01 0.07 1.90 0.40 0.82 -1.20 117.98 121.65 2fes s PHE 227 Ca 0.44 0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.87 2fes s PHE 227 Cb -0.24 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 2fes s PHE 227 CO 0.30 0.42 -0.15 0.71 0.70 0.00 0.00 175.22 177.20 2fes s TYR 228 N -1.03 1.31 0.10 0.36 1.51 0.97 -1.43 117.35 119.14 2fes s TYR 228 Ca 0.18 -0.45 -0.31 0.00 -1.01 0.00 0.00 57.07 55.49 2fes s TYR 228 Cb -0.11 -0.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.93 2fes s TYR 228 CO 0.08 0.08 1.23 0.99 -1.11 0.00 0.00 175.55 176.83 2fes s THR 229 N -1.23 3.79 -0.89 -0.71 2.01 -0.24 -1.59 115.64 116.78 2fes s THR 229 Ca -0.00 1.33 -0.25 0.00 0.31 0.00 0.00 61.69 63.08 2fes s THR 229 Cb -0.10 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.59 2fes s THR 229 CO 0.03 0.13 1.47 -2.28 -0.69 0.00 0.00 174.62 173.28 2fes s HIS 230 N 0.81 2.32 0.19 4.92 2.46 -0.12 -2.53 115.29 123.35 2fes s HIS 230 Ca 0.58 -0.34 -0.14 0.00 0.47 0.00 0.00 55.06 55.64 2fes s HIS 230 Cb -0.32 -4.57 0.20 0.00 -0.13 0.00 0.00 32.58 27.76 2fes s HIS 230 CO 0.31 -1.99 1.68 0.28 -2.47 0.00 0.00 174.74 172.55 2fes h VAL 231 N 6.61 0.59 -0.90 0.89 2.07 -1.69 -2.66 116.25 121.16 2fes h VAL 231 Ca 0.01 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2fes h VAL 231 Cb 1.03 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2fes h VAL 231 CO 1.35 0.02 0.51 0.15 0.02 0.00 0.00 177.57 179.61 2fes h PHE 232 N 0.11 1.23 -0.17 1.57 3.57 -1.88 -1.77 116.94 119.60 2fes h PHE 232 Ca 0.26 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.78 2fes h PHE 232 Cb 0.39 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2fes h PHE 232 CO -0.32 0.84 0.21 0.00 -2.23 0.00 0.00 178.31 176.80 2fes h ARG 233 N 1.26 0.00 -0.29 1.11 2.47 -1.86 -0.25 114.38 116.82 2fes h ARG 233 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2fes h ARG 233 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2fes h ARG 233 CO -0.05 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.76 2fes n LEU 234 N -3.68 3.26 -0.37 3.04 4.77 -0.72 -4.67 117.00 118.63 2fes n LEU 234 Ca 0.01 -2.42 -0.01 0.00 -0.03 0.00 0.00 56.01 53.56 2fes n LEU 234 Cb 0.32 -0.35 0.13 0.00 -2.33 0.00 0.00 43.42 41.19 2fes n LEU 234 CO 0.26 0.70 1.29 0.50 -1.33 0.00 0.00 177.39 178.80 2fes h LYS 235 N 1.83 1.26 -0.56 3.23 1.63 -0.43 -2.09 116.57 121.44 2fes h LYS 235 Ca 0.00 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 2fes h LYS 235 Cb 1.01 -0.28 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 2fes h LYS 235 CO 0.09 0.84 0.18 0.87 -3.45 0.00 0.00 179.45 177.97 2fes h LYS 236 N 1.30 0.84 -0.22 1.90 1.57 -1.83 0.13 116.57 120.26 2fes h LYS 236 Ca 0.38 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 2fes h LYS 236 Cb -0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2fes h LYS 236 CO -0.11 0.72 -0.50 2.35 -0.57 0.00 0.00 179.45 181.35 2fes h TRP 237 N 0.82 0.72 -0.44 -1.35 7.01 -1.82 -1.62 115.95 119.27 2fes h TRP 237 Ca 0.19 -0.24 -0.03 0.00 2.11 0.00 0.00 58.89 60.92 2fes h TRP 237 Cb 0.23 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 2fes h TRP 237 CO 0.01 0.96 0.15 0.82 -2.79 0.00 0.00 178.44 177.60 2fes h ILE 238 N 0.46 1.22 -0.30 2.65 2.04 -0.66 -1.97 117.51 120.95 2fes h ILE 238 Ca 0.02 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 2fes h ILE 238 Cb 1.03 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2fes h ILE 238 CO 0.10 0.25 0.00 -0.61 0.00 0.00 0.00 178.15 177.89 2fes h GLN 239 N 0.58 0.53 -0.07 2.37 5.75 -0.71 -2.47 115.11 121.08 2fes h GLN 239 Ca 0.14 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2fes h GLN 239 Cb 0.24 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 2fes h GLN 239 CO -0.01 0.67 -0.21 -0.22 -2.65 0.00 0.00 178.83 176.41 2fes h LYS 240 N 0.33 -0.29 -1.01 1.69 3.64 -1.18 0.62 116.57 120.37 2fes h LYS 240 Ca 0.09 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2fes h LYS 240 Cb 0.43 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 2fes h LYS 240 CO 0.02 -0.19 0.66 0.28 -2.27 0.00 0.00 179.45 177.94 2fes h VAL 241 N -0.30 1.13 -0.06 2.00 2.07 -1.32 -1.92 116.25 117.85 2fes h VAL 241 Ca 0.08 -0.42 -0.19 0.00 0.82 0.00 0.00 66.70 66.99 2fes h VAL 241 Cb 0.42 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2fes h VAL 241 CO -0.25 0.22 -0.78 0.40 0.02 0.00 0.00 177.57 177.19 2fes h ILE 242 N 1.23 1.39 0.00 4.57 2.04 -0.93 -2.36 117.51 123.45 2fes h ILE 242 Ca 0.42 -2.23 -0.10 0.00 1.00 0.00 0.00 64.86 63.95 2fes h ILE 242 Cb 0.08 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2fes h ILE 242 CO -0.15 0.67 -0.47 0.44 0.00 0.00 0.00 178.15 178.64 2fes h ASP 243 N 0.26 0.00 0.00 1.72 3.32 -0.59 -3.31 116.42 117.81 2fes h ASP 243 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2fes h ASP 243 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2fes h ASP 243 CO 0.13 0.47 -1.02 0.00 -1.72 0.00 0.00 179.24 177.10 2fes n GLN 244 N -3.27 0.88 0.00 3.56 10.64 -0.75 -5.10 117.38 123.35 2fes n GLN 244 Ca 0.02 -0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2fes n GLN 244 Cb 0.69 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.69 2fes n GLN 244 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42