#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fed s ARG 3 N 0.00 2.15 -0.16 7.34 3.52 0.21 -5.00 118.95 127.01 2fed s ARG 3 Ca 0.00 -0.56 -0.04 0.00 -0.13 0.00 0.00 55.73 55.00 2fed s ARG 3 Cb 0.00 -1.72 -0.03 0.00 -1.56 0.00 0.00 34.95 31.64 2fed s ARG 3 CO 0.00 0.06 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.00 2fed s LEU 4 N 0.62 3.24 -0.26 -0.88 1.43 -1.26 -1.82 118.68 119.75 2fed s LEU 4 Ca -0.15 -0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2fed s LEU 4 Cb -0.16 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.37 2fed s LEU 4 CO 0.05 0.16 0.18 -0.22 0.23 0.00 0.00 176.35 176.74 2fed s LEU 5 N 0.44 0.22 -0.10 1.79 1.98 -1.05 -3.67 118.68 118.29 2fed s LEU 5 Ca -0.03 -0.90 -0.02 0.00 -2.89 0.00 0.00 54.13 50.29 2fed s LEU 5 Cb -0.14 -0.01 -0.03 0.00 0.66 0.00 0.00 46.19 46.66 2fed s LEU 5 CO 0.03 -0.40 -0.03 -1.83 -1.89 0.00 0.00 176.35 172.23 2fed s GLU 6 N 2.20 3.10 0.00 1.98 1.03 -1.26 -0.51 118.70 125.25 2fed s GLU 6 Ca 0.08 -0.48 0.00 0.00 0.03 0.00 0.00 54.97 54.60 2fed s GLU 6 Cb -0.15 -2.77 0.00 0.00 -0.80 0.00 0.00 34.13 30.40 2fed s GLU 6 CO -0.28 0.57 0.00 -1.13 -1.33 0.00 0.00 175.26 173.09 2fed n SER 7 N 2.54 1.71 0.00 0.83 3.41 0.26 -4.44 113.62 117.92 2fed n SER 7 Ca -0.18 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2fed n SER 7 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2fed n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fed n GLY 8 N 4.27 0.50 1.54 5.00 0.00 -1.26 -0.72 105.19 114.51 2fed n GLY 8 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2fed n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fed n GLY 9 N -2.00 -2.73 0.00 -0.02 0.00 -1.26 -4.43 105.19 94.75 2fed n GLY 9 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2fed n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fed n GLY 10 N -0.96 0.72 3.70 -0.02 0.00 0.53 -4.94 105.19 104.22 2fed n GLY 10 Ca 0.07 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 2fed n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fed s LEU 11 N 0.00 4.23 0.07 0.99 2.96 -1.26 0.90 118.68 126.57 2fed s LEU 11 Ca 0.00 0.86 0.05 0.00 -0.22 0.00 0.00 54.13 54.81 2fed s LEU 11 Cb 0.00 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 2fed s LEU 11 CO 0.00 -0.11 -0.14 0.68 -1.32 0.00 0.00 176.35 175.47 2fed s VAL 12 N 1.10 1.07 0.23 1.68 -7.23 0.14 -4.94 120.40 112.45 2fed s VAL 12 Ca 0.28 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 2fed s VAL 12 Cb -0.16 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.65 2fed s VAL 12 CO 0.12 -0.24 0.94 -1.10 -0.31 0.00 0.00 175.10 174.50 2fed s GLN 13 N -1.75 4.85 0.29 4.82 -0.21 -1.26 -1.97 119.66 124.43 2fed s GLN 13 Ca -0.02 1.48 -0.29 0.00 0.02 0.00 0.00 55.36 56.55 2fed s GLN 13 Cb -0.10 -3.28 -0.14 0.00 1.00 0.00 0.00 33.01 30.49 2fed s GLN 13 CO 0.02 0.51 1.12 -2.30 -2.12 0.00 0.00 175.29 172.52 2fed n PRO 14 N 1.54 1.58 -1.63 2.91 -0.02 -1.26 -0.81 135.00 137.31 2fed n PRO 14 Ca -0.02 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 61.90 2fed n PRO 14 Cb 0.47 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 2fed n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fed n GLY 15 N 1.23 0.84 0.00 -1.23 0.00 0.21 -4.90 105.19 101.33 2fed n GLY 15 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2fed n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fed n GLY 16 N -1.36 1.76 3.64 -0.02 0.00 0.01 -4.53 105.19 104.70 2fed n GLY 16 Ca -0.13 -1.74 -0.02 0.00 0.00 0.00 0.00 46.02 44.14 2fed n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fed s SER 17 N -1.00 -0.02 0.33 1.61 1.04 -1.26 -2.20 113.70 112.20 2fed s SER 17 Ca 0.00 0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 2fed s SER 17 Cb 0.00 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.15 2fed s SER 17 CO 0.00 -0.02 0.57 -1.48 0.98 0.00 0.00 173.24 173.29 2fed s LEU 18 N -1.66 0.50 -0.35 2.42 2.34 -1.02 -5.02 118.68 115.89 2fed s LEU 18 Ca 0.11 -1.21 -0.00 0.00 0.06 0.00 0.00 54.13 53.09 2fed s LEU 18 Cb -0.01 1.98 0.13 0.00 -0.56 0.00 0.00 46.19 47.74 2fed s LEU 18 CO -0.05 -1.37 0.20 -0.75 -1.06 0.00 0.00 176.35 173.33 2fed s LYS 19 N -3.14 0.55 0.55 1.48 2.20 -1.26 -2.37 119.74 117.74 2fed s LYS 19 Ca 0.23 -1.26 -0.19 0.00 -0.36 0.00 0.00 55.97 54.39 2fed s LYS 19 Cb -0.02 -1.36 -0.05 0.00 -1.51 0.00 0.00 37.83 34.89 2fed s LYS 19 CO 0.14 -1.18 1.14 -0.51 -0.36 0.00 0.00 175.35 174.59 2fed s LEU 20 N 1.17 3.73 -0.03 5.43 1.43 -0.66 -4.71 118.68 125.04 2fed s LEU 20 Ca 0.17 2.22 0.01 0.00 -1.03 0.00 0.00 54.13 55.49 2fed s LEU 20 Cb -0.22 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.44 2fed s LEU 20 CO -0.04 -1.29 -0.01 -0.44 0.23 0.00 0.00 176.35 174.80 2fed s SER 21 N -1.74 0.44 -0.33 2.29 0.01 0.10 -1.81 113.70 112.66 2fed s SER 21 Ca 0.74 -0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.95 2fed s SER 21 Cb -0.25 -0.22 0.07 0.00 0.21 0.00 0.00 66.02 65.83 2fed s SER 21 CO 0.28 -0.08 0.05 0.00 0.41 0.00 0.00 173.24 173.90 2fed s ALA 23 N 1.17 3.67 0.01 0.00 0.00 0.34 0.18 121.76 127.12 2fed s ALA 23 Ca -0.00 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2fed s ALA 23 Cb -0.20 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 2fed s ALA 23 CO -0.03 0.20 0.01 0.00 0.00 0.00 0.00 175.76 175.93 2fed s ALA 24 N 0.18 3.31 -0.15 0.00 0.00 0.07 -2.53 121.76 122.64 2fed s ALA 24 Ca 0.13 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 2fed s ALA 24 Cb -0.12 -1.34 0.05 0.00 0.00 0.00 0.00 23.12 21.71 2fed s ALA 24 CO 0.02 0.66 0.38 -1.54 0.00 0.00 0.00 175.76 175.28 2fed s SER 25 N -1.67 -0.44 0.00 0.00 1.04 -0.76 -4.88 113.70 106.99 2fed s SER 25 Ca 0.21 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.44 2fed s SER 25 Cb -0.12 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2fed s SER 25 CO 0.12 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2fed n GLY 26 N 3.84 1.26 3.53 7.32 0.00 -1.26 0.68 105.19 120.56 2fed n GLY 26 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 2fed n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fed s PHE 27 N -2.00 -0.38 -0.42 1.61 -0.71 -1.26 -4.39 117.98 110.43 2fed s PHE 27 Ca 0.00 0.17 -0.27 0.00 -1.04 0.00 0.00 56.93 55.79 2fed s PHE 27 Cb 0.00 0.57 -0.05 0.00 -1.21 0.00 0.00 43.02 42.33 2fed s PHE 27 CO 0.00 -0.74 2.17 0.34 -1.34 0.00 0.00 175.22 175.65 2fed s ASP 28 N -2.67 5.05 0.47 1.98 3.68 -1.26 -4.83 116.67 119.10 2fed s ASP 28 Ca 0.05 1.18 0.13 0.00 2.13 0.00 0.00 52.55 56.04 2fed s ASP 28 Cb -0.01 -2.51 1.09 0.00 -1.45 0.00 0.00 42.92 40.03 2fed s ASP 28 CO -0.08 -2.39 2.07 0.22 0.13 0.00 0.00 175.17 175.12 2fed h TYR 29 N 16.64 0.11 -1.46 -5.34 3.20 -1.96 -3.41 116.97 124.76 2fed h TYR 29 Ca -0.30 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.57 2fed h TYR 29 Cb 1.23 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2fed h TYR 29 CO 0.97 0.14 0.00 0.43 -1.64 0.00 0.00 178.16 178.06 2fed n SER 30 N -4.45 -0.95 0.00 -2.11 7.64 -1.26 -3.91 113.62 108.58 2fed n SER 30 Ca -0.02 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.38 2fed n SER 30 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2fed n SER 30 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2fed n ARG 31 N -1.43 0.00 -3.93 1.43 5.12 -1.26 -4.90 116.66 111.69 2fed n ARG 31 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 2fed n ARG 31 Cb 0.00 -1.51 -0.06 0.00 -1.16 0.00 0.00 32.46 29.74 2fed n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2fed s TYR 32 N -0.04 3.52 0.12 -1.55 1.51 -1.25 -4.90 117.35 114.76 2fed s TYR 32 Ca 0.00 0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 56.21 2fed s TYR 32 Cb 0.00 -1.85 -0.07 0.00 -0.11 0.00 0.00 41.96 39.93 2fed s TYR 32 CO 0.00 0.66 0.75 -1.58 -1.11 0.00 0.00 175.55 174.27 2fed s TRP 33 N -1.20 3.85 0.13 2.71 0.52 -1.26 -3.95 118.94 119.74 2fed s TRP 33 Ca 0.22 1.55 0.09 0.00 0.02 0.00 0.00 56.10 57.98 2fed s TRP 33 Cb -0.12 -2.75 -0.04 0.00 -1.15 0.00 0.00 33.47 29.41 2fed s TRP 33 CO 0.13 0.46 -0.15 -1.64 0.02 0.00 0.00 176.95 175.77 2fed s MET 34 N -0.87 1.88 -0.00 4.98 -1.94 -0.97 -0.54 119.30 121.84 2fed s MET 34 Ca 0.36 -1.18 -0.13 0.00 -1.71 0.00 0.00 55.69 53.03 2fed s MET 34 Cb -0.22 -2.14 0.02 0.00 2.01 0.00 0.00 34.83 34.49 2fed s MET 34 CO 0.24 0.47 0.26 0.45 -0.01 0.00 0.00 175.02 176.44 2fed s SER 35 N -2.29 -0.12 -0.14 3.03 0.15 0.10 -1.75 113.70 112.68 2fed s SER 35 Ca 0.20 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.78 2fed s SER 35 Cb -0.10 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.47 2fed s SER 35 CO 0.12 -0.45 -0.05 0.26 1.20 0.00 0.00 173.24 174.31 2fed s TRP 36 N -1.54 3.00 -0.08 3.44 0.52 -1.03 0.63 118.94 123.88 2fed s TRP 36 Ca -0.13 -0.28 0.00 0.00 0.02 0.00 0.00 56.10 55.72 2fed s TRP 36 Cb -0.05 -1.91 0.02 0.00 -1.15 0.00 0.00 33.47 30.38 2fed s TRP 36 CO 0.02 0.01 -0.06 0.08 0.02 0.00 0.00 176.95 177.02 2fed s VAL 37 N 0.18 0.77 0.06 4.03 1.01 0.49 -1.24 120.40 125.71 2fed s VAL 37 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2fed s VAL 37 Cb -0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2fed s VAL 37 CO 0.03 0.31 -0.02 0.00 0.00 0.00 0.00 175.10 175.42 2fed s ARG 38 N 1.41 2.55 -0.25 2.72 1.70 -0.46 -0.75 118.95 125.88 2fed s ARG 38 Ca -0.02 -0.79 0.01 0.00 -0.47 0.00 0.00 55.73 54.45 2fed s ARG 38 Cb -0.13 -2.54 0.07 0.00 -0.57 0.00 0.00 34.95 31.78 2fed s ARG 38 CO -0.04 0.56 -0.02 -1.14 -1.08 0.00 0.00 175.30 173.59 2fed s GLN 39 N -2.02 1.42 0.59 3.89 0.74 0.76 -1.22 119.66 123.82 2fed s GLN 39 Ca 0.23 -1.06 -0.20 0.00 0.05 0.00 0.00 55.36 54.38 2fed s GLN 39 Cb -0.11 -2.54 -0.04 0.00 1.10 0.00 0.00 33.01 31.41 2fed s GLN 39 CO 0.15 -0.69 1.22 0.00 -0.55 0.00 0.00 175.29 175.41 2fed n ALA 40 N 4.67 1.00 -1.78 1.58 0.00 -1.25 -1.36 120.51 123.37 2fed n ALA 40 Ca -0.09 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 2fed n ALA 40 Cb 0.44 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 2fed n ALA 40 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2fed s PRO 41 N -2.97 4.14 -1.42 0.00 0.02 -1.26 -1.63 135.00 131.89 2fed s PRO 41 Ca 0.76 2.54 -0.12 0.00 0.02 0.00 0.00 61.00 64.20 2fed s PRO 41 Cb -0.41 -3.06 0.10 0.00 0.02 0.00 0.00 34.50 31.15 2fed s PRO 41 CO 0.46 -0.65 0.62 0.41 -0.33 0.00 0.00 177.00 177.51 2fed n GLY 42 N 2.90 -0.48 3.12 0.52 0.00 -1.26 -4.94 105.19 105.06 2fed n GLY 42 Ca 0.11 0.11 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 2fed n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fed n LYS 43 N -4.00 0.41 -1.44 1.61 5.02 -0.65 -5.17 118.16 113.94 2fed n LYS 43 Ca 0.02 -3.24 -0.29 0.00 -2.02 0.00 0.00 58.31 52.77 2fed n LYS 43 Cb 0.52 2.60 0.14 0.00 -0.02 0.00 0.00 35.03 38.27 2fed n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2fed s GLY 44 N -3.27 1.58 -0.06 0.72 0.00 -1.26 -4.63 107.32 100.40 2fed s GLY 44 Ca 0.38 -0.40 -0.23 0.00 0.00 0.00 0.00 44.72 44.46 2fed s GLY 44 CO 0.27 0.14 0.70 1.08 0.00 0.00 0.00 173.10 175.29 2fed s LEU 45 N -6.09 4.32 -0.03 0.66 1.43 -1.26 -3.91 118.68 113.81 2fed s LEU 45 Ca 0.64 1.20 0.08 0.00 -1.03 0.00 0.00 54.13 55.01 2fed s LEU 45 Cb -0.16 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 2fed s LEU 45 CO 0.55 -0.11 -0.26 -0.54 0.23 0.00 0.00 176.35 176.22 2fed s LYS 46 N 0.76 2.21 -0.09 1.70 -0.14 -0.35 -5.00 119.74 118.82 2fed s LYS 46 Ca 0.38 -0.92 -0.27 0.00 -1.36 0.00 0.00 55.97 53.79 2fed s LYS 46 Cb -0.18 -2.07 -0.02 0.00 -1.68 0.00 0.00 37.83 33.88 2fed s LYS 46 CO 0.18 0.52 0.90 -0.46 -0.76 0.00 0.00 175.35 175.74 2fed s TRP 47 N -0.52 3.54 -0.13 3.18 -0.00 -1.26 -1.35 118.94 122.40 2fed s TRP 47 Ca 0.07 1.47 -0.07 0.00 -0.00 0.00 0.00 56.10 57.57 2fed s TRP 47 Cb -0.11 -3.06 -0.02 0.00 -0.00 0.00 0.00 33.47 30.28 2fed s TRP 47 CO -0.00 -0.12 -0.14 0.82 -0.00 0.00 0.00 176.95 177.51 2fed h ILE 48 N 4.99 0.00 -1.91 5.86 1.08 -1.55 -3.41 117.51 122.57 2fed h ILE 48 Ca -0.35 -0.96 0.22 0.00 -0.39 0.00 0.00 64.86 63.38 2fed h ILE 48 Cb 1.17 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 2fed h ILE 48 CO 0.81 0.00 0.59 0.61 -0.69 0.00 0.00 178.15 179.46 2fed n GLY 49 N 1.65 0.43 3.33 5.37 0.00 -1.22 -0.94 105.19 113.81 2fed n GLY 49 Ca -0.06 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 2fed n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2fed s GLU 50 N -2.01 1.11 -0.21 1.61 -1.05 0.86 -2.46 118.70 116.56 2fed s GLU 50 Ca 0.20 -1.08 -0.11 0.00 -0.15 0.00 0.00 54.97 53.83 2fed s GLU 50 Cb -0.01 0.39 0.07 0.00 -0.44 0.00 0.00 34.13 34.14 2fed s GLU 50 CO 0.00 -0.41 0.50 -1.50 0.95 0.00 0.00 175.26 174.80 2fed s ILE 51 N -3.93 -0.04 0.74 1.83 2.07 -0.72 -1.35 121.20 119.81 2fed s ILE 51 Ca 0.13 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.32 2fed s ILE 51 Cb 0.03 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.92 2fed s ILE 51 CO -0.03 0.03 1.10 0.54 -1.91 0.00 0.00 174.94 174.66 2fed s ASN 52 N 1.51 5.11 0.20 4.50 2.20 -0.89 -2.29 114.94 125.28 2fed s ASN 52 Ca -0.10 1.21 -0.10 0.00 -0.94 0.00 0.00 52.86 52.93 2fed s ASN 52 Cb -0.07 -1.99 0.27 0.00 -2.00 0.00 0.00 41.25 37.45 2fed s ASN 52 CO -0.15 -1.57 1.73 -0.65 -2.94 0.00 0.00 177.10 173.52 2fed h PRO 53 N -0.81 0.33 0.00 3.55 0.11 -1.91 0.45 132.00 133.71 2fed h PRO 53 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2fed h PRO 53 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2fed h PRO 53 CO 0.62 0.22 0.00 1.33 -0.21 0.00 0.00 178.00 179.96 2fed n VAL 54 N -5.05 0.00 -1.74 3.15 0.24 -1.26 -4.86 118.33 108.80 2fed n VAL 54 Ca 0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.25 2fed n VAL 54 Cb 0.28 -0.15 -0.04 0.00 -1.47 0.00 0.00 33.84 32.47 2fed n VAL 54 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2fed n SER 55 N -0.61 -3.59 -0.30 -1.34 7.64 0.15 -4.80 113.62 110.77 2fed n SER 55 Ca 0.05 0.27 0.13 0.00 1.01 0.00 0.00 58.87 60.33 2fed n SER 55 Cb 0.02 -3.25 0.29 0.00 -1.01 0.00 0.00 64.21 60.26 2fed n SER 55 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2fed n SER 56 N -0.93 1.25 -3.70 6.43 3.41 -1.26 -4.70 113.62 114.12 2fed n SER 56 Ca -0.14 -1.03 -0.17 0.00 -0.26 0.00 0.00 58.87 57.27 2fed n SER 56 Cb 0.49 0.22 -0.17 0.00 -0.26 0.00 0.00 64.21 64.49 2fed n SER 56 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2fed s THR 57 N -2.50 -0.13 -0.14 6.66 2.01 -1.26 -5.07 115.64 115.20 2fed s THR 57 Ca 0.23 0.34 -0.00 0.00 0.31 0.00 0.00 61.69 62.57 2fed s THR 57 Cb 0.19 -0.18 0.03 0.00 0.01 0.00 0.00 72.50 72.55 2fed s THR 57 CO 0.53 0.14 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.90 2fed s ILE 58 N 1.87 1.14 -0.05 1.82 1.01 -1.26 -2.10 121.20 123.63 2fed s ILE 58 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2fed s ILE 58 Cb -0.12 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 2fed s ILE 58 CO -0.04 0.26 -0.15 0.20 0.00 0.00 0.00 174.94 175.21 2fed s ASN 59 N 1.64 3.94 0.44 3.58 0.01 -0.45 -4.97 114.94 119.14 2fed s ASN 59 Ca 0.03 -0.23 0.06 0.00 -0.71 0.00 0.00 52.86 52.01 2fed s ASN 59 Cb -0.14 -0.85 -0.05 0.00 0.41 0.00 0.00 41.25 40.63 2fed s ASN 59 CO -0.08 0.33 0.09 -0.31 -1.51 0.00 0.00 177.10 175.62 2fed s TYR 60 N -0.66 2.32 0.54 2.20 1.51 -1.26 -0.10 117.35 121.89 2fed s TYR 60 Ca 0.10 -0.73 -0.12 0.00 -1.01 0.00 0.00 57.07 55.31 2fed s TYR 60 Cb -0.11 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 39.88 2fed s TYR 60 CO 0.01 0.25 0.95 -0.08 -1.11 0.00 0.00 175.55 175.57 2fed s THR 61 N -2.72 4.68 -0.94 -0.71 -1.32 -0.12 -4.91 115.64 109.60 2fed s THR 61 Ca 0.30 0.89 -0.16 0.00 -1.21 0.00 0.00 61.69 61.51 2fed s THR 61 Cb 0.05 -3.80 -0.27 0.00 -1.51 0.00 0.00 72.50 66.97 2fed s THR 61 CO 0.16 -0.86 2.30 -2.65 -2.21 0.00 0.00 174.62 171.36 2fed n PRO 62 N -2.06 0.15 -3.64 7.08 -0.02 -1.26 -4.78 135.00 130.46 2fed n PRO 62 Ca 0.05 -0.15 -0.06 0.00 -2.02 0.00 0.00 63.50 61.32 2fed n PRO 62 Cb 0.54 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 2fed n PRO 62 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2fed s SER 63 N 3.93 -0.92 0.20 2.55 0.15 -1.26 -5.15 113.70 113.21 2fed s SER 63 Ca 1.24 1.44 -0.32 0.00 0.70 0.00 0.00 55.95 59.01 2fed s SER 63 Cb -0.76 1.47 -0.14 0.00 -1.71 0.00 0.00 66.02 64.88 2fed s SER 63 CO 0.46 -0.22 1.30 0.18 1.20 0.00 0.00 173.24 176.16 2fed n LEU 64 N 4.38 2.36 0.00 3.45 4.77 -1.26 -4.85 117.00 125.85 2fed n LEU 64 Ca -0.19 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 2fed n LEU 64 Cb 0.58 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2fed n LEU 64 CO -0.02 -0.86 0.00 0.29 -1.33 0.00 0.00 177.39 175.48 2fed n LYS 65 N 1.98 0.00 0.00 3.23 5.02 -1.26 -2.52 118.16 124.61 2fed n LYS 65 Ca 0.13 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.47 2fed n LYS 65 Cb 0.28 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.55 2fed n LYS 65 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fed n ASP 66 N 0.18 0.00 -0.39 4.39 8.00 -1.26 -4.31 116.55 123.16 2fed n ASP 66 Ca 0.00 -0.01 -0.06 0.00 0.71 0.00 0.00 54.79 55.42 2fed n ASP 66 Cb 0.00 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 2fed n ASP 66 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2fed n LYS 67 N -1.19 -0.34 -4.57 -1.24 3.00 -1.05 -4.28 118.16 108.50 2fed n LYS 67 Ca 0.06 1.45 -0.34 0.00 -0.00 0.00 0.00 58.31 59.48 2fed n LYS 67 Cb 0.06 -2.14 -0.12 0.00 0.00 0.00 0.00 35.03 32.83 2fed n LYS 67 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2fed s PHE 68 N -5.66 2.95 -0.31 5.64 0.40 -1.26 -0.56 117.98 119.19 2fed s PHE 68 Ca -0.12 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2fed s PHE 68 Cb 0.14 -1.82 0.10 0.00 0.51 0.00 0.00 43.02 41.95 2fed s PHE 68 CO 0.63 0.13 0.06 0.42 0.70 0.00 0.00 175.22 177.16 2fed s ILE 69 N -0.24 1.48 -0.02 0.64 1.01 -0.07 -4.97 121.20 119.02 2fed s ILE 69 Ca 0.03 -1.73 -0.21 0.00 0.00 0.00 0.00 60.65 58.74 2fed s ILE 69 Cb -0.13 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 2fed s ILE 69 CO 0.03 -0.58 0.61 -0.63 0.00 0.00 0.00 174.94 174.37 2fed s ILE 70 N 1.32 4.95 0.14 2.92 1.01 -1.26 -2.11 121.20 128.16 2fed s ILE 70 Ca 0.08 1.28 -0.06 0.00 0.00 0.00 0.00 60.65 61.95 2fed s ILE 70 Cb -0.18 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 2fed s ILE 70 CO -0.16 0.38 0.19 -0.94 0.00 0.00 0.00 174.94 174.40 2fed s SER 71 N 0.07 0.15 0.02 3.58 1.04 -1.18 -5.03 113.70 112.36 2fed s SER 71 Ca 0.32 -0.95 -0.10 0.00 0.48 0.00 0.00 55.95 55.70 2fed s SER 71 Cb -0.18 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.32 2fed s SER 71 CO 0.17 -0.81 0.21 0.00 0.98 0.00 0.00 173.24 173.80 2fed s ARG 72 N -3.97 0.66 -0.43 4.02 1.70 -1.26 -0.77 118.95 118.89 2fed s ARG 72 Ca 0.17 -0.50 0.02 0.00 -0.47 0.00 0.00 55.73 54.95 2fed s ARG 72 Cb 0.05 0.28 0.13 0.00 -0.57 0.00 0.00 34.95 34.84 2fed s ARG 72 CO -0.02 -0.19 0.22 0.34 -1.08 0.00 0.00 175.30 174.58 2fed s ASP 73 N -1.83 3.78 0.48 -2.89 3.68 -0.31 -4.97 116.67 114.63 2fed s ASP 73 Ca -0.08 -2.57 0.22 0.00 2.13 0.00 0.00 52.55 52.25 2fed s ASP 73 Cb -0.03 -1.10 1.26 0.00 -1.45 0.00 0.00 42.92 41.60 2fed s ASP 73 CO -0.01 -0.28 1.95 0.78 0.13 0.00 0.00 175.17 177.73 2fed h ASN 74 N 6.85 0.17 -0.37 -0.34 2.35 -1.93 0.45 115.58 122.76 2fed h ASN 74 Ca -0.03 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2fed h ASN 74 Cb 0.93 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 2fed h ASN 74 CO 0.50 0.09 0.17 0.00 -1.65 0.00 0.00 177.43 176.54 2fed h ALA 75 N 1.67 1.51 -0.01 -0.83 0.00 -1.95 -2.69 119.26 116.97 2fed h ALA 75 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2fed h ALA 75 Cb 1.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2fed h ALA 75 CO -0.06 0.38 -0.66 1.63 0.00 0.00 0.00 179.25 180.54 2fed n LYS 76 N -4.38 0.98 -3.31 0.00 5.02 -0.44 -5.01 118.16 111.02 2fed n LYS 76 Ca 0.03 -0.52 -0.17 0.00 -2.02 0.00 0.00 58.31 55.63 2fed n LYS 76 Cb 0.14 -1.42 0.07 0.00 -0.02 0.00 0.00 35.03 33.80 2fed n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fed n ASP 77 N -0.69 -6.48 -3.76 4.39 9.92 0.02 -4.83 116.55 115.12 2fed n ASP 77 Ca 0.06 -0.75 -0.13 0.00 -0.53 0.00 0.00 54.79 53.44 2fed n ASP 77 Cb 0.38 -4.95 -0.09 0.00 -0.64 0.00 0.00 41.12 35.82 2fed n ASP 77 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2fed s THR 78 N -3.39 0.05 -0.04 -3.53 2.01 -1.06 -0.75 115.64 108.93 2fed s THR 78 Ca 0.46 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2fed s THR 78 Cb -0.08 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 2fed s THR 78 CO 0.76 -0.22 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.03 2fed s LEU 79 N -1.08 2.28 0.20 4.42 2.96 0.13 -1.16 118.68 126.43 2fed s LEU 79 Ca -0.11 -0.39 0.11 0.00 -0.22 0.00 0.00 54.13 53.52 2fed s LEU 79 Cb -0.05 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 2fed s LEU 79 CO 0.04 0.31 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.85 2fed s TYR 80 N -0.55 2.34 -0.11 5.38 1.51 0.06 0.66 117.35 126.63 2fed s TYR 80 Ca 0.08 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2fed s TYR 80 Cb -0.11 -1.15 0.06 0.00 -0.11 0.00 0.00 41.96 40.65 2fed s TYR 80 CO 0.00 0.52 0.21 -1.17 -1.11 0.00 0.00 175.55 174.00 2fed s LEU 81 N -2.75 -0.17 -0.24 -1.29 2.96 -0.75 -3.11 118.68 113.33 2fed s LEU 81 Ca 0.22 0.38 -0.14 0.00 -0.22 0.00 0.00 54.13 54.38 2fed s LEU 81 Cb -0.08 0.45 -0.04 0.00 0.50 0.00 0.00 46.19 47.02 2fed s LEU 81 CO 0.11 -0.25 0.30 -1.10 -1.32 0.00 0.00 176.35 174.09 2fed s GLN 82 N 2.35 4.08 -0.13 1.98 -0.21 -0.90 -1.66 119.66 125.17 2fed s GLN 82 Ca 0.03 -0.03 -0.05 0.00 0.02 0.00 0.00 55.36 55.33 2fed s GLN 82 Cb -0.12 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.27 2fed s GLN 82 CO -0.07 -0.09 0.07 0.42 -2.12 0.00 0.00 175.29 173.50 2fed s ILE 83 N 1.48 4.85 0.43 1.08 1.01 -1.00 -0.90 121.20 128.15 2fed s ILE 83 Ca 0.13 -0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.81 2fed s ILE 83 Cb -0.15 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 2fed s ILE 83 CO 0.08 0.56 0.06 -0.44 0.00 0.00 0.00 174.94 175.20 2fed s SER 84 N -0.50 4.06 0.00 3.58 0.01 0.27 -2.43 113.70 118.69 2fed s SER 84 Ca 0.10 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2fed s SER 84 Cb -0.12 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2fed s SER 84 CO 0.02 -0.56 0.00 0.29 0.41 0.00 0.00 173.24 173.40 2fed n LYS 85 N -1.10 0.00 -2.32 12.44 4.76 -0.93 -4.78 118.16 126.22 2fed n LYS 85 Ca -0.06 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.04 2fed n LYS 85 Cb 0.66 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.84 2fed n LYS 85 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2fed s VAL 86 N -0.69 3.83 0.03 -0.18 1.01 -1.08 -4.71 120.40 118.60 2fed s VAL 86 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2fed s VAL 86 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 2fed s VAL 86 CO 0.00 -0.38 0.01 -2.11 0.00 0.00 0.00 175.10 172.63 2fed n ARG 87 N -1.45 0.74 0.19 2.72 1.85 -1.26 0.65 116.66 120.09 2fed n ARG 87 Ca 0.09 -0.24 0.06 0.00 -1.00 0.00 0.00 57.85 56.76 2fed n ARG 87 Cb 0.53 0.14 0.36 0.00 -1.05 0.00 0.00 32.46 32.43 2fed n ARG 87 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2fed h SER 88 N 0.12 0.00 -0.08 2.89 4.64 -1.99 -3.09 113.55 116.04 2fed h SER 88 Ca -0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2fed h SER 88 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2fed h SER 88 CO 0.03 0.37 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.99 2fed h GLU 89 N 0.00 0.31 0.00 4.77 3.07 -1.96 -2.02 114.58 118.74 2fed h GLU 89 Ca -0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2fed h GLU 89 Cb 0.85 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 2fed h GLU 89 CO 0.05 0.37 0.00 -0.25 -1.40 0.00 0.00 179.01 177.78 2fed n ASP 90 N -4.33 0.03 -4.57 1.42 8.00 -1.17 -4.63 116.55 111.29 2fed n ASP 90 Ca -0.00 0.51 -0.40 0.00 0.71 0.00 0.00 54.79 55.61 2fed n ASP 90 Cb 0.22 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 2fed n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2fed s THR 91 N -3.01 3.18 0.20 -3.53 2.01 -0.76 -4.84 115.64 108.88 2fed s THR 91 Ca 0.08 0.15 -0.23 0.00 0.31 0.00 0.00 61.69 62.00 2fed s THR 91 Cb 0.11 -3.33 0.06 0.00 0.01 0.00 0.00 72.50 69.34 2fed s THR 91 CO 0.32 -0.27 0.91 0.00 -0.69 0.00 0.00 174.62 174.88 2fed s ALA 92 N 9.41 -1.51 -0.22 7.40 0.00 -0.83 -4.41 121.76 131.59 2fed s ALA 92 Ca 0.89 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.58 2fed s ALA 92 Cb -0.22 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 2fed s ALA 92 CO 0.29 -1.04 0.60 -1.17 0.00 0.00 0.00 175.76 174.43 2fed s LEU 93 N -2.99 4.11 -0.33 0.00 2.96 -0.47 -1.32 118.68 120.64 2fed s LEU 93 Ca 0.13 0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 2fed s LEU 93 Cb -0.03 -2.82 0.02 0.00 0.50 0.00 0.00 46.19 43.86 2fed s LEU 93 CO 0.04 -0.29 0.13 -0.31 -1.32 0.00 0.00 176.35 174.60 2fed s TYR 94 N 2.09 3.20 -0.08 5.38 2.02 0.12 -0.17 117.35 129.91 2fed s TYR 94 Ca 0.26 -1.01 -0.04 0.00 -0.37 0.00 0.00 57.07 55.91 2fed s TYR 94 Cb -0.16 -2.32 -0.04 0.00 -0.40 0.00 0.00 41.96 39.05 2fed s TYR 94 CO 0.09 -0.61 0.09 0.71 -1.57 0.00 0.00 175.55 174.27 2fed s TYR 95 N 1.51 3.40 0.25 2.71 2.02 0.07 -1.58 117.35 125.74 2fed s TYR 95 Ca 0.02 0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 57.06 2fed s TYR 95 Cb -0.18 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 2fed s TYR 95 CO 0.04 0.61 0.46 0.00 -1.57 0.00 0.00 175.55 175.09 2fed s ALA 97 N -2.00 -0.52 0.05 0.00 0.00 0.20 -2.30 121.76 117.20 2fed s ALA 97 Ca 0.40 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 2fed s ALA 97 Cb -0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 2fed s ALA 97 CO 0.30 -0.15 0.80 0.50 0.00 0.00 0.00 175.76 177.22 2fed s ARG 98 N -0.42 4.53 -0.14 0.00 3.52 -0.33 -0.72 118.95 125.38 2fed s ARG 98 Ca -0.05 1.13 -0.07 0.00 -0.13 0.00 0.00 55.73 56.60 2fed s ARG 98 Cb -0.03 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 2fed s ARG 98 CO 0.01 0.25 0.12 -0.51 -0.81 0.00 0.00 175.30 174.36 2fed s LEU 99 N 0.03 4.25 0.35 -0.88 1.43 0.30 0.14 118.68 124.30 2fed s LEU 99 Ca 0.40 0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.83 2fed s LEU 99 Cb -0.21 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 43.97 2fed s LEU 99 CO 0.24 0.34 0.51 -0.47 0.23 0.00 0.00 176.35 177.20 2fed s TYR 100 N -0.60 0.96 0.29 0.29 5.04 -0.91 -4.27 117.35 118.14 2fed s TYR 100 Ca 0.12 -1.24 0.03 0.00 -2.44 0.00 0.00 57.07 53.54 2fed s TYR 100 Cb -0.12 0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.17 2fed s TYR 100 CO 0.02 -1.18 0.15 1.52 -1.34 0.00 0.00 175.55 174.71 2fed s TYR 101 N -2.97 1.56 0.00 4.97 -0.85 -1.26 0.04 117.35 118.83 2fed s TYR 101 Ca 0.29 -1.34 0.00 0.00 -0.52 0.00 0.00 57.07 55.50 2fed s TYR 101 Cb -0.01 -0.84 0.00 0.00 0.38 0.00 0.00 41.96 41.49 2fed s TYR 101 CO 0.19 -0.50 0.00 0.41 -1.52 0.00 0.00 175.55 174.13 2fed n GLY 102 N -0.54 0.27 0.20 5.49 0.00 -1.26 -4.82 105.19 104.54 2fed n GLY 102 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2fed n GLY 102 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2fed h TYR 103 N 0.00 0.00 0.00 1.61 0.05 -2.04 -3.46 116.97 113.13 2fed h TYR 103 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2fed h TYR 103 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2fed h TYR 103 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 2fed n GLY 104 N 0.65 1.01 3.50 3.88 0.00 -1.26 -5.09 105.19 107.88 2fed n GLY 104 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2fed n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fed s TYR 105 N -1.76 3.15 0.31 1.61 1.51 -1.26 -5.01 117.35 115.89 2fed s TYR 105 Ca 0.00 -0.25 -0.28 0.00 -1.01 0.00 0.00 57.07 55.53 2fed s TYR 105 Cb 0.00 -2.98 -0.09 0.00 -0.11 0.00 0.00 41.96 38.77 2fed s TYR 105 CO 0.00 -0.71 1.01 -1.58 -1.11 0.00 0.00 175.55 173.16 2fed s TRP 106 N 2.30 3.64 0.24 2.71 0.52 -1.26 -4.15 118.94 122.93 2fed s TRP 106 Ca 0.15 1.76 0.06 0.00 0.02 0.00 0.00 56.10 58.09 2fed s TRP 106 Cb -0.16 -3.09 -0.05 0.00 -1.15 0.00 0.00 33.47 29.01 2fed s TRP 106 CO 0.15 -0.14 -0.07 1.52 0.02 0.00 0.00 176.95 178.43 2fed s TYR 107 N -1.38 1.76 -0.62 -1.98 -0.85 0.11 -4.99 117.35 109.39 2fed s TYR 107 Ca 0.48 -0.73 -0.20 0.00 -0.52 0.00 0.00 57.07 56.10 2fed s TYR 107 Cb -0.25 -0.96 0.09 0.00 0.38 0.00 0.00 41.96 41.22 2fed s TYR 107 CO 0.32 0.21 0.81 -0.06 -1.52 0.00 0.00 175.55 175.31 2fed s PHE 108 N -3.12 2.87 0.02 -3.49 0.40 -1.26 -2.15 117.98 111.24 2fed s PHE 108 Ca 0.27 -0.80 -0.14 0.00 -0.60 0.00 0.00 56.93 55.65 2fed s PHE 108 Cb 0.03 -4.13 -0.08 0.00 0.51 0.00 0.00 43.02 39.35 2fed s PHE 108 CO 0.09 -1.44 1.07 0.22 0.70 0.00 0.00 175.22 175.87 2fed h ASP 109 N 9.34 -0.44 -4.22 1.36 3.58 0.95 -3.46 116.42 123.53 2fed h ASP 109 Ca -0.29 0.02 -0.44 0.00 0.42 0.00 0.00 57.03 56.73 2fed h ASP 109 Cb 1.08 0.11 -0.27 0.00 1.72 0.00 0.00 39.33 41.97 2fed h ASP 109 CO 1.13 -0.28 -0.79 -0.69 -2.88 0.00 0.00 179.24 175.73 2fed s VAL 110 N -3.88 0.99 0.14 2.25 1.01 -1.21 -4.96 120.40 114.74 2fed s VAL 110 Ca -0.08 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.31 2fed s VAL 110 Cb 0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2fed s VAL 110 CO 0.23 0.16 -0.23 0.26 0.00 0.00 0.00 175.10 175.52 2fed s TRP 111 N -0.51 2.40 0.74 5.22 0.52 -1.26 -1.18 118.94 124.86 2fed s TRP 111 Ca 0.03 -0.33 -0.10 0.00 0.02 0.00 0.00 56.10 55.72 2fed s TRP 111 Cb -0.06 -1.27 0.05 0.00 -1.15 0.00 0.00 33.47 31.05 2fed s TRP 111 CO 0.00 0.39 1.09 0.20 0.02 0.00 0.00 176.95 178.65 2fed s GLY 112 N -2.21 1.62 0.22 0.98 0.00 -0.97 -4.57 107.32 102.39 2fed s GLY 112 Ca 0.17 -0.66 -0.09 0.00 0.00 0.00 0.00 44.72 44.14 2fed s GLY 112 CO 0.08 -0.24 1.87 0.00 0.00 0.00 0.00 173.10 174.82 2fed h ALA 113 N -0.77 1.01 0.00 3.20 0.00 -1.93 -3.44 119.26 117.33 2fed h ALA 113 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2fed h ALA 113 Cb 1.30 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2fed h ALA 113 CO 0.64 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.63 2fed n GLY 114 N -1.31 2.91 3.23 0.00 0.00 -1.26 -4.93 105.19 103.83 2fed n GLY 114 Ca 0.09 -1.89 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 2fed n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fed s THR 115 N -2.72 1.61 -0.29 2.61 -4.23 -0.61 -4.86 115.64 107.14 2fed s THR 115 Ca 0.00 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.32 2fed s THR 115 Cb 0.00 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.42 2fed s THR 115 CO 0.00 0.27 0.19 -0.89 -0.54 0.00 0.00 174.62 173.65 2fed s THR 116 N -0.69 5.16 -0.24 3.99 2.01 -1.26 0.16 115.64 124.76 2fed s THR 116 Ca 0.07 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.00 2fed s THR 116 Cb -0.08 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 2fed s THR 116 CO 0.01 0.20 0.15 -0.69 -0.69 0.00 0.00 174.62 173.60 2fed s VAL 117 N 1.73 5.21 -0.18 3.82 1.01 -0.44 -0.35 120.40 131.20 2fed s VAL 117 Ca 0.07 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 2fed s VAL 117 Cb -0.16 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2fed s VAL 117 CO 0.10 0.33 -0.04 -0.89 0.00 0.00 0.00 175.10 174.61 2fed s THR 118 N 1.20 3.70 -0.35 3.92 2.01 0.26 -1.97 115.64 124.41 2fed s THR 118 Ca 0.07 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2fed s THR 118 Cb -0.14 -2.65 0.09 0.00 0.01 0.00 0.00 72.50 69.81 2fed s THR 118 CO 0.05 0.46 0.08 -0.69 -0.69 0.00 0.00 174.62 173.83 2fed s VAL 119 N 0.84 2.72 -0.08 3.82 1.01 -1.26 0.25 120.40 127.71 2fed s VAL 119 Ca -0.01 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.66 2fed s VAL 119 Cb -0.15 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.46 2fed s VAL 119 CO 0.02 -0.49 0.67 -0.55 0.00 0.00 0.00 175.10 174.75 2fed s SER 120 N 1.29 -0.65 0.00 3.32 0.15 -0.83 -4.53 113.70 112.45 2fed s SER 120 Ca 0.05 0.79 0.27 0.00 0.70 0.00 0.00 55.95 57.76 2fed s SER 120 Cb -0.20 0.65 0.90 0.00 -1.71 0.00 0.00 66.02 65.65 2fed s SER 120 CO -0.05 -0.56 1.67 -1.54 1.20 0.00 0.00 173.24 173.96 2fed n SER 121 N 1.15 0.39 -4.58 5.45 3.41 -1.26 -4.37 113.62 113.80 2fed n SER 121 Ca -0.18 -0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 57.85 2fed n SER 121 Cb 0.57 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2fed n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fed n ALA 122 N -1.32 -0.16 -2.42 7.33 0.00 -1.26 -4.99 120.51 117.69 2fed n ALA 122 Ca 0.08 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 2fed n ALA 122 Cb 0.32 -2.02 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 2fed n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2fed s LYS 123 N -1.78 3.90 0.19 0.00 3.01 -1.26 -5.04 119.74 118.76 2fed s LYS 123 Ca 0.61 0.38 -0.33 0.00 -1.01 0.00 0.00 55.97 55.63 2fed s LYS 123 Cb -0.62 -2.92 -0.13 0.00 -1.01 0.00 0.00 37.83 33.16 2fed s LYS 123 CO 0.58 0.48 1.66 2.41 0.51 0.00 0.00 175.35 180.99 2fed n THR 124 N 0.72 0.04 -3.75 2.17 -1.04 -1.26 -4.72 114.28 106.45 2fed n THR 124 Ca -0.05 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.79 2fed n THR 124 Cb 0.52 -1.79 -0.16 0.00 -1.82 0.00 0.00 70.33 67.07 2fed n THR 124 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2fed s THR 125 N 1.01 -0.07 0.62 12.58 2.01 -0.37 -4.93 115.64 126.49 2fed s THR 125 Ca 0.76 0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.86 2fed s THR 125 Cb -0.58 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 2fed s THR 125 CO 0.35 0.11 1.09 -2.16 -0.69 0.00 0.00 174.62 173.32 2fed s PRO 126 N 1.32 3.09 0.47 4.92 0.04 -1.26 -1.27 135.00 142.30 2fed s PRO 126 Ca -0.06 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 2fed s PRO 126 Cb -0.13 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 2fed s PRO 126 CO -0.03 -1.01 0.92 -1.25 0.04 0.00 0.00 177.00 175.67 2fed s PRO 127 N -4.00 3.97 -0.22 0.56 0.04 -1.25 -4.40 135.00 129.70 2fed s PRO 127 Ca 0.66 0.88 -0.08 0.00 0.04 0.00 0.00 61.00 62.50 2fed s PRO 127 Cb -0.19 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2fed s PRO 127 CO 0.38 -0.16 0.08 -1.12 0.04 0.00 0.00 177.00 176.21 2fed s SER 128 N -2.89 5.42 -0.24 6.66 0.01 0.61 -4.96 113.70 118.31 2fed s SER 128 Ca 0.58 -0.06 -0.07 0.00 1.31 0.00 0.00 55.95 57.70 2fed s SER 128 Cb -0.10 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 2fed s SER 128 CO 0.27 0.06 0.07 -0.69 0.41 0.00 0.00 173.24 173.36 2fed s VAL 129 N 1.07 4.40 -0.14 3.43 1.01 -1.26 -1.25 120.40 127.66 2fed s VAL 129 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2fed s VAL 129 Cb -0.14 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2fed s VAL 129 CO 0.03 0.36 -0.15 -0.31 0.00 0.00 0.00 175.10 175.03 2fed s TYR 130 N 1.39 2.19 0.23 5.22 2.02 0.04 -4.94 117.35 123.50 2fed s TYR 130 Ca 0.05 -1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 55.25 2fed s TYR 130 Cb -0.15 -1.60 -0.09 0.00 -0.40 0.00 0.00 41.96 39.73 2fed s TYR 130 CO 0.04 -0.65 1.16 -1.25 -1.57 0.00 0.00 175.55 173.28 2fed s PRO 131 N 1.37 4.55 -0.72 -1.71 0.04 -1.26 -0.07 135.00 137.20 2fed s PRO 131 Ca 0.03 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 2fed s PRO 131 Cb -0.13 -3.22 0.18 0.00 0.04 0.00 0.00 34.50 31.38 2fed s PRO 131 CO -0.09 0.03 0.57 -0.51 0.04 0.00 0.00 177.00 177.04 2fed s LEU 132 N -0.78 5.45 0.06 -3.56 1.43 0.27 -4.91 118.68 116.65 2fed s LEU 132 Ca 0.49 -3.11 -0.17 0.00 -1.03 0.00 0.00 54.13 50.32 2fed s LEU 132 Cb -0.32 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 2fed s LEU 132 CO 0.39 -0.33 0.51 0.00 0.23 0.00 0.00 176.35 177.15 2fed s ALA 133 N -0.44 3.63 0.58 4.21 0.00 -1.26 -3.24 121.76 125.24 2fed s ALA 133 Ca 0.20 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.88 2fed s ALA 133 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2fed s ALA 133 CO -0.06 0.44 1.22 -2.14 0.00 0.00 0.00 175.76 175.22 2fed s PRO 134 N -1.28 3.03 1.09 0.00 0.02 -1.26 -4.87 135.00 131.73 2fed s PRO 134 Ca 0.29 1.87 -0.13 0.00 0.02 0.00 0.00 61.00 63.05 2fed s PRO 134 Cb -0.18 -1.99 0.24 0.00 0.02 0.00 0.00 34.50 32.59 2fed s PRO 134 CO 0.17 -1.17 1.07 0.20 -0.33 0.00 0.00 177.00 176.94 2fed s GLY 135 N -1.51 1.55 0.00 0.52 0.00 -1.26 -4.35 107.32 102.27 2fed s GLY 135 Ca 0.76 -0.38 0.19 0.00 0.00 0.00 0.00 44.72 45.29 2fed s GLY 135 CO 0.35 0.31 1.54 1.44 0.00 0.00 0.00 173.10 176.74 2fed n SER 136 N -4.53 0.00 -0.78 1.64 7.64 -1.26 -2.28 113.62 114.06 2fed n SER 136 Ca 0.05 -0.72 0.09 0.00 1.01 0.00 0.00 58.87 59.30 2fed n SER 136 Cb 0.57 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.87 2fed n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fed n ALA 137 N -0.95 2.45 -2.32 -0.43 0.00 -1.26 -4.99 120.51 113.01 2fed n ALA 137 Ca 0.14 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.43 2fed n ALA 137 Cb 0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 2fed n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fed s ALA 138 N -1.46 2.97 -0.46 0.00 0.00 -0.96 -4.98 121.76 116.86 2fed s ALA 138 Ca 0.24 -0.22 -0.27 0.00 0.00 0.00 0.00 51.96 51.71 2fed s ALA 138 Cb 0.16 -3.98 0.03 0.00 0.00 0.00 0.00 23.12 19.32 2fed s ALA 138 CO 0.23 -2.55 1.01 0.00 0.00 0.00 0.00 175.76 174.46 2fed s ALA 139 N 5.77 3.23 0.24 0.00 0.00 -1.26 -4.99 121.76 124.73 2fed s ALA 139 Ca 0.62 -0.63 -0.31 0.00 0.00 0.00 0.00 51.96 51.64 2fed s ALA 139 Cb -0.14 -3.73 -0.11 0.00 0.00 0.00 0.00 23.12 19.14 2fed s ALA 139 CO 0.31 -2.08 1.64 0.00 0.00 0.00 0.00 175.76 175.64 2fed s ALA 140 N 3.99 3.84 0.13 0.00 0.00 -1.26 -5.03 121.76 123.43 2fed s ALA 140 Ca 0.41 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2fed s ALA 140 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2fed s ALA 140 CO 0.27 -0.92 0.00 0.00 0.00 0.00 0.00 175.76 175.11 2fed n ALA 141 N 3.25 0.00 0.43 0.00 0.00 -1.26 -5.02 120.51 117.90 2fed n ALA 141 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.37 2fed n ALA 141 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 2fed n ALA 141 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2fed h SER 142 N 0.00 -1.00 -4.65 0.00 0.02 -2.00 -3.43 113.55 102.49 2fed h SER 142 Ca 0.00 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 2fed h SER 142 Cb 0.00 0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.82 2fed h SER 142 CO 0.00 -0.68 -0.01 0.23 -1.14 0.00 0.00 176.83 175.23 2fed n MET 143 N -5.57 0.80 -3.78 3.45 0.00 -1.26 -2.42 117.12 108.33 2fed n MET 143 Ca -0.15 -0.93 -0.13 0.00 0.00 0.00 0.00 57.70 56.49 2fed n MET 143 Cb 0.45 -0.10 -0.13 0.00 0.00 0.00 0.00 33.22 33.44 2fed n MET 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2fed s VAL 144 N -0.22 -0.02 -0.22 2.03 0.11 0.34 -4.26 120.40 118.16 2fed s VAL 144 Ca 0.19 0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.21 2fed s VAL 144 Cb -0.01 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 2fed s VAL 144 CO 0.12 0.03 0.19 -0.89 -3.33 0.00 0.00 175.10 171.22 2fed s THR 145 N 0.61 5.35 0.00 5.04 2.01 -1.26 -0.04 115.64 127.35 2fed s THR 145 Ca -0.04 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.22 2fed s THR 145 Cb -0.06 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.92 2fed s THR 145 CO -0.03 0.35 0.00 0.18 -0.69 0.00 0.00 174.62 174.43 2fed n LEU 146 N 4.14 0.00 0.00 4.42 4.77 -0.38 -4.68 117.00 125.27 2fed n LEU 146 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2fed n LEU 146 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2fed n LEU 146 CO 0.36 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2fed n GLY 147 N 5.00 2.79 2.98 -0.72 0.00 -1.20 -3.13 105.19 110.91 2fed n GLY 147 Ca 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 2fed n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fed s LEU 149 N -0.92 3.97 -0.84 0.00 2.96 0.90 -1.78 118.68 122.97 2fed s LEU 149 Ca -0.10 0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 2fed s LEU 149 Cb -0.06 -2.06 0.21 0.00 0.50 0.00 0.00 46.19 44.78 2fed s LEU 149 CO -0.00 0.06 0.74 -0.69 -1.32 0.00 0.00 176.35 175.13 2fed s VAL 150 N 1.10 4.77 0.00 1.68 1.01 0.13 -0.78 120.40 128.31 2fed s VAL 150 Ca 0.07 -3.19 -0.01 0.00 0.00 0.00 0.00 61.98 58.85 2fed s VAL 150 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2fed s VAL 150 CO 0.05 -1.03 0.11 -1.59 0.00 0.00 0.00 175.10 172.63 2fed s LYS 151 N -0.60 3.14 -0.25 2.72 -2.85 -0.38 -1.64 119.74 119.88 2fed s LYS 151 Ca 0.23 -0.46 -0.01 0.00 -1.00 0.00 0.00 55.97 54.72 2fed s LYS 151 Cb -0.12 -2.90 -0.01 0.00 -2.06 0.00 0.00 37.83 32.73 2fed s LYS 151 CO -0.08 0.65 0.23 0.41 0.10 0.00 0.00 175.35 176.65 2fed n GLY 152 N 1.07 -0.03 3.21 0.59 0.00 0.06 -0.29 105.19 109.80 2fed n GLY 152 Ca -0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2fed n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fed s TYR 153 N -3.06 1.10 -0.28 1.61 -0.85 -0.84 -3.81 117.35 111.22 2fed s TYR 153 Ca 0.07 -1.07 -0.22 0.00 -0.52 0.00 0.00 57.07 55.34 2fed s TYR 153 Cb -0.01 -0.63 0.08 0.00 0.38 0.00 0.00 41.96 41.79 2fed s TYR 153 CO 0.21 -0.29 0.77 0.12 -1.52 0.00 0.00 175.55 174.84 2fed s PHE 154 N -3.76 -0.82 0.00 -3.49 5.36 -0.40 0.81 117.98 115.69 2fed s PHE 154 Ca 0.23 1.84 0.00 0.00 -0.96 0.00 0.00 56.93 58.04 2fed s PHE 154 Cb 0.06 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 43.14 2fed s PHE 154 CO 0.03 -0.40 0.00 -0.35 -1.46 0.00 0.00 175.22 173.04 2fed n PRO 155 N 3.18 2.04 -1.70 10.12 -0.04 -1.26 -1.23 135.00 146.10 2fed n PRO 155 Ca -0.16 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.96 2fed n PRO 155 Cb 0.56 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.08 2fed n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2fed s GLU 156 N 0.96 2.63 0.41 0.54 0.41 -1.26 -4.73 118.70 117.65 2fed s GLU 156 Ca 0.00 1.56 0.08 0.00 -0.41 0.00 0.00 54.97 56.20 2fed s GLU 156 Cb 0.00 -1.91 -0.03 0.00 -1.78 0.00 0.00 34.13 30.40 2fed s GLU 156 CO 0.00 -1.42 0.29 -1.25 -0.49 0.00 0.00 175.26 172.40 2fed s PRO 157 N -3.91 2.43 0.30 0.39 0.04 -1.26 -5.01 135.00 127.98 2fed s PRO 157 Ca 0.71 -1.63 0.09 0.00 0.04 0.00 0.00 61.00 60.20 2fed s PRO 157 Cb -0.24 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2fed s PRO 157 CO 0.41 -0.14 0.05 0.14 0.04 0.00 0.00 177.00 177.50 2fed s VAL 158 N -2.51 3.16 -0.12 -0.36 -7.23 -1.26 -4.56 120.40 107.53 2fed s VAL 158 Ca 0.45 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2fed s VAL 158 Cb -0.01 -2.89 0.02 0.00 0.56 0.00 0.00 36.38 34.07 2fed s VAL 158 CO 0.26 -0.28 -0.11 0.42 -0.31 0.00 0.00 175.10 175.08 2fed s THR 159 N -2.39 1.24 -0.30 5.32 -4.23 -0.29 -4.98 115.64 109.99 2fed s THR 159 Ca 0.34 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 2fed s THR 159 Cb -0.04 -1.20 0.07 0.00 1.34 0.00 0.00 72.50 72.67 2fed s THR 159 CO 0.21 0.40 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.99 2fed s VAL 160 N 1.47 2.64 0.05 2.29 1.01 -1.26 -1.63 120.40 124.97 2fed s VAL 160 Ca 0.02 -1.69 0.09 0.00 0.00 0.00 0.00 61.98 60.40 2fed s VAL 160 Cb -0.13 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2fed s VAL 160 CO -0.07 -0.22 -0.25 0.42 0.00 0.00 0.00 175.10 174.97 2fed s THR 161 N 1.13 2.23 -0.20 3.92 -4.23 -0.74 -4.94 115.64 112.82 2fed s THR 161 Ca -0.02 -1.40 -0.10 0.00 -1.18 0.00 0.00 61.69 58.99 2fed s THR 161 Cb -0.20 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.70 2fed s THR 161 CO -0.04 0.34 0.12 0.26 -0.54 0.00 0.00 174.62 174.76 2fed s TRP 162 N -0.84 3.39 -0.90 3.99 0.52 -1.26 -0.64 118.94 123.21 2fed s TRP 162 Ca 0.12 0.30 -0.06 0.00 0.02 0.00 0.00 56.10 56.48 2fed s TRP 162 Cb -0.10 -2.14 0.01 0.00 -1.15 0.00 0.00 33.47 30.08 2fed s TRP 162 CO 0.03 0.28 0.63 0.09 0.02 0.00 0.00 176.95 178.00 2fed n ASN 163 N 3.48 -5.01 -3.69 2.95 3.02 -0.57 -1.55 115.26 113.89 2fed n ASN 163 Ca -0.16 -0.95 -0.26 0.00 -0.03 0.00 0.00 54.58 53.18 2fed n ASN 163 Cb 0.52 -2.05 -0.06 0.00 -0.61 0.00 0.00 39.78 37.58 2fed n ASN 163 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2fed n SER 164 N -2.48 -0.40 0.00 6.41 7.64 -1.26 0.11 113.62 123.63 2fed n SER 164 Ca -0.25 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.75 2fed n SER 164 Cb 0.65 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2fed n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fed n GLY 165 N -1.44 2.94 0.25 0.23 0.00 -0.60 -4.85 105.19 101.72 2fed n GLY 165 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2fed n GLY 165 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2fed h SER 166 N 0.00 0.00 -1.93 1.61 4.64 -0.31 -2.99 113.55 114.57 2fed h SER 166 Ca 0.00 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.54 2fed h SER 166 Cb 0.00 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.89 2fed h SER 166 CO 0.00 0.15 1.58 -0.11 -0.87 0.00 0.00 176.83 177.58 2fed n LEU 167 N -3.56 6.84 0.12 5.97 7.94 -0.95 -4.81 117.00 128.55 2fed n LEU 167 Ca -0.01 -4.93 -0.00 0.00 -1.11 0.00 0.00 56.01 49.95 2fed n LEU 167 Cb 0.29 -1.37 0.27 0.00 0.53 0.00 0.00 43.42 43.15 2fed n LEU 167 CO 0.31 1.64 0.68 0.00 -1.11 0.00 0.00 177.39 178.90 2fed h ALA 168 N 5.35 1.21 -2.38 1.96 0.00 -1.78 -3.42 119.26 120.19 2fed h ALA 168 Ca 0.38 -0.38 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2fed h ALA 168 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2fed h ALA 168 CO 1.48 0.55 -0.23 0.00 0.00 0.00 0.00 179.25 181.04 2fed s ALA 169 N -4.17 3.73 -0.66 0.00 0.00 -1.26 -4.43 121.76 114.97 2fed s ALA 169 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2fed s ALA 169 Cb 0.14 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2fed s ALA 169 CO 0.76 0.21 0.00 0.41 0.00 0.00 0.00 175.76 177.13 2fed n GLY 170 N -1.18 0.78 3.90 0.00 0.00 -1.26 -4.71 105.19 102.71 2fed n GLY 170 Ca -0.04 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2fed n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fed s VAL 171 N -2.25 5.21 -0.32 1.61 1.01 -1.26 -0.68 120.40 123.73 2fed s VAL 171 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2fed s VAL 171 Cb 0.00 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.89 2fed s VAL 171 CO 0.00 0.10 0.22 -1.00 0.00 0.00 0.00 175.10 174.43 2fed s HIS 172 N -1.58 0.16 -0.75 5.22 3.76 0.43 -4.97 115.29 117.56 2fed s HIS 172 Ca 0.38 -0.90 -0.19 0.00 -0.15 0.00 0.00 55.06 54.20 2fed s HIS 172 Cb -0.12 -0.73 0.12 0.00 1.11 0.00 0.00 32.58 32.95 2fed s HIS 172 CO 0.24 -0.87 0.92 0.99 -0.85 0.00 0.00 174.74 175.17 2fed s THR 173 N 1.80 4.74 0.50 1.30 2.01 -1.26 -1.38 115.64 123.35 2fed s THR 173 Ca 0.13 -1.18 -0.22 0.00 0.31 0.00 0.00 61.69 60.73 2fed s THR 173 Cb -0.17 -4.64 -0.06 0.00 0.01 0.00 0.00 72.50 67.64 2fed s THR 173 CO -0.22 -1.33 1.18 -0.36 -0.69 0.00 0.00 174.62 173.20 2fed s PHE 174 N 2.79 2.73 0.32 4.92 0.08 -0.98 -4.97 117.98 122.88 2fed s PHE 174 Ca 0.22 1.52 -0.25 0.00 0.12 0.00 0.00 56.93 58.54 2fed s PHE 174 Cb -0.14 -3.40 -0.14 0.00 -0.57 0.00 0.00 43.02 38.76 2fed s PHE 174 CO 0.00 -1.70 0.63 -2.30 -0.10 0.00 0.00 175.22 171.75 2fed n PRO 175 N -0.83 0.57 -2.84 0.24 -0.02 -1.26 -4.52 135.00 126.34 2fed n PRO 175 Ca 0.09 0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 2fed n PRO 175 Cb 0.49 -1.41 -0.07 0.00 -0.02 0.00 0.00 33.50 32.49 2fed n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fed s ALA 176 N -1.24 3.08 -0.01 3.55 0.00 -1.26 -4.76 121.76 121.12 2fed s ALA 176 Ca 0.62 0.39 0.07 0.00 0.00 0.00 0.00 51.96 53.03 2fed s ALA 176 Cb -0.73 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 2fed s ALA 176 CO 0.58 0.15 -0.22 0.14 0.00 0.00 0.00 175.76 176.42 2fed s VAL 177 N -2.09 2.42 0.01 0.00 -7.23 -0.28 -4.90 120.40 108.34 2fed s VAL 177 Ca 0.60 -1.05 -0.23 0.00 -1.81 0.00 0.00 61.98 59.49 2fed s VAL 177 Cb -0.10 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 2fed s VAL 177 CO 0.15 0.53 0.67 -0.22 -0.31 0.00 0.00 175.10 175.92 2fed s LEU 178 N -0.82 4.42 -0.07 1.32 2.96 -1.26 -0.76 118.68 124.47 2fed s LEU 178 Ca 0.11 1.28 -0.03 0.00 -0.22 0.00 0.00 54.13 55.27 2fed s LEU 178 Cb -0.10 -3.06 0.04 0.00 0.50 0.00 0.00 46.19 43.56 2fed s LEU 178 CO 0.01 0.05 0.16 -1.58 -1.32 0.00 0.00 176.35 173.66 2fed s GLN 179 N -0.05 0.11 -0.95 1.98 0.74 0.68 -4.95 119.66 117.21 2fed s GLN 179 Ca 0.35 0.38 -0.16 0.00 0.05 0.00 0.00 55.36 55.97 2fed s GLN 179 Cb -0.19 -0.16 0.02 0.00 1.10 0.00 0.00 33.01 33.78 2fed s GLN 179 CO 0.20 -0.16 0.60 0.00 -0.55 0.00 0.00 175.29 175.37 2fed n ALA 180 N 4.16 -2.61 -1.58 1.58 0.00 -1.26 -1.89 120.51 118.91 2fed n ALA 180 Ca -0.26 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.58 2fed n ALA 180 Cb 0.52 -1.49 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 2fed n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fed n ALA 181 N -3.64 -0.30 -2.73 0.00 0.00 -1.26 -4.97 120.51 107.60 2fed n ALA 181 Ca -0.21 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 2fed n ALA 181 Cb 0.59 -1.94 -0.11 0.00 0.00 0.00 0.00 19.45 17.99 2fed n ALA 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2fed s LEU 182 N -4.60 2.31 0.13 0.00 1.43 -0.79 -4.79 118.68 112.37 2fed s LEU 182 Ca 0.00 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 2fed s LEU 182 Cb 0.00 0.00 -0.04 0.00 0.03 0.00 0.00 46.19 46.19 2fed s LEU 182 CO 0.00 -0.33 0.21 -0.31 0.23 0.00 0.00 176.35 176.15 2fed s TYR 183 N -2.00 3.37 -0.08 0.29 1.51 0.24 -0.23 117.35 120.44 2fed s TYR 183 Ca -0.08 0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.04 2fed s TYR 183 Cb -0.06 -1.63 0.04 0.00 -0.11 0.00 0.00 41.96 40.20 2fed s TYR 183 CO -0.02 0.53 0.18 0.99 -1.11 0.00 0.00 175.55 176.11 2fed s THR 184 N -1.67 -0.11 0.05 -0.71 2.01 0.06 -0.76 115.64 114.51 2fed s THR 184 Ca 0.33 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.54 2fed s THR 184 Cb -0.11 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 2fed s THR 184 CO 0.26 0.09 -0.03 -1.48 -0.69 0.00 0.00 174.62 172.77 2fed s LEU 185 N 1.48 2.49 0.10 4.42 0.05 -0.65 -1.12 118.68 125.44 2fed s LEU 185 Ca -0.06 -0.99 0.06 0.00 0.05 0.00 0.00 54.13 53.18 2fed s LEU 185 Cb -0.11 0.18 -0.03 0.00 -2.05 0.00 0.00 46.19 44.17 2fed s LEU 185 CO -0.07 -0.59 -0.15 -0.94 -0.55 0.00 0.00 176.35 174.06 2fed s SER 186 N -2.91 1.90 -0.07 1.48 1.04 -1.26 0.21 113.70 114.08 2fed s SER 186 Ca 0.07 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.80 2fed s SER 186 Cb 0.08 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.15 2fed s SER 186 CO -0.09 -0.09 -0.07 -0.55 0.98 0.00 0.00 173.24 173.41 2fed s SER 187 N -2.06 1.56 -0.18 7.02 0.15 -0.73 -2.31 113.70 117.14 2fed s SER 187 Ca 0.04 -0.21 -0.04 0.00 0.70 0.00 0.00 55.95 56.43 2fed s SER 187 Cb -0.08 -0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 63.56 2fed s SER 187 CO 0.03 -0.06 -0.02 -0.94 1.20 0.00 0.00 173.24 173.44 2fed s SER 188 N 1.16 4.74 -0.24 5.45 1.04 -0.48 -1.58 113.70 123.80 2fed s SER 188 Ca -0.06 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 2fed s SER 188 Cb -0.14 -1.79 -0.01 0.00 0.10 0.00 0.00 66.02 64.17 2fed s SER 188 CO -0.01 0.10 0.00 0.54 0.98 0.00 0.00 173.24 174.85 2fed s VAL 189 N 0.77 3.69 -0.36 5.02 0.11 -1.18 -0.43 120.40 128.03 2fed s VAL 189 Ca -0.01 -0.43 -0.18 0.00 -2.93 0.00 0.00 61.98 58.43 2fed s VAL 189 Cb -0.14 -2.72 -0.00 0.00 -1.53 0.00 0.00 36.38 31.98 2fed s VAL 189 CO 0.02 0.36 0.49 -0.89 -3.33 0.00 0.00 175.10 171.74 2fed s THR 190 N 1.52 5.04 0.18 5.04 2.01 0.14 -1.24 115.64 128.32 2fed s THR 190 Ca 0.05 0.23 0.09 0.00 0.31 0.00 0.00 61.69 62.38 2fed s THR 190 Cb -0.15 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2fed s THR 190 CO -0.01 -0.22 -0.20 0.68 -0.69 0.00 0.00 174.62 174.18 2fed s VAL 191 N 2.32 1.97 0.72 3.82 -7.23 0.94 -4.65 120.40 118.29 2fed s VAL 191 Ca 0.17 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.21 2fed s VAL 191 Cb -0.16 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 34.88 2fed s VAL 191 CO 0.13 -0.28 1.22 -2.65 -0.31 0.00 0.00 175.10 173.21 2fed n PRO 192 N 0.23 0.66 -0.32 4.82 -0.02 -1.26 0.13 135.00 139.23 2fed n PRO 192 Ca -0.13 0.29 0.17 0.00 -2.02 0.00 0.00 63.50 61.82 2fed n PRO 192 Cb 0.57 -2.46 0.37 0.00 -0.02 0.00 0.00 33.50 31.96 2fed n PRO 192 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2fed h SER 193 N -0.15 0.44 0.71 2.55 0.87 -1.65 0.65 113.55 116.97 2fed h SER 193 Ca -0.49 0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.16 2fed h SER 193 Cb 1.32 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 2fed h SER 193 CO 0.49 -0.02 -0.37 0.77 -0.53 0.00 0.00 176.83 177.17 2fed h SER 194 N 0.41 0.00 0.11 6.23 4.64 -1.90 -3.33 113.55 119.70 2fed h SER 194 Ca 0.63 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.78 2fed h SER 194 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2fed h SER 194 CO -0.55 0.37 -0.63 -1.28 -0.87 0.00 0.00 176.83 173.87 2fed h SER 195 N 0.00 0.58 -4.34 4.97 0.87 -1.20 -3.43 113.55 111.01 2fed h SER 195 Ca -0.00 -0.34 -0.45 0.00 -1.23 0.00 0.00 61.79 59.77 2fed h SER 195 Cb 0.82 -0.17 -0.21 0.00 -0.44 0.00 0.00 62.40 62.41 2fed h SER 195 CO 0.05 1.06 -0.79 0.86 -0.53 0.00 0.00 176.83 177.48 2fed s TRP 196 N -3.84 1.39 -1.23 2.24 -0.00 -1.21 -1.75 118.94 114.53 2fed s TRP 196 Ca -0.07 -0.46 0.26 0.00 -0.00 0.00 0.00 56.10 55.83 2fed s TRP 196 Cb 0.11 -0.77 1.20 0.00 -0.00 0.00 0.00 33.47 34.02 2fed s TRP 196 CO 0.84 0.11 1.85 -0.35 -0.00 0.00 0.00 176.95 179.40 2fed n PRO 197 N 1.12 0.20 -0.17 5.86 -0.04 -1.26 -4.84 135.00 135.86 2fed n PRO 197 Ca -0.20 0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 2fed n PRO 197 Cb 0.54 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 2fed n PRO 197 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2fed h SER 198 N 0.00 -0.06 -3.07 3.54 4.64 -1.82 -3.39 113.55 113.39 2fed h SER 198 Ca 0.00 0.11 -0.56 0.00 -0.47 0.00 0.00 61.79 60.87 2fed h SER 198 Cb 0.33 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 2fed h SER 198 CO 0.00 -0.01 -0.29 -0.70 -0.87 0.00 0.00 176.83 174.96 2fed s GLU 199 N -6.14 3.59 -0.22 4.77 2.12 -0.72 -5.08 118.70 117.02 2fed s GLU 199 Ca -0.13 -0.16 -0.21 0.00 0.36 0.00 0.00 54.97 54.83 2fed s GLU 199 Cb 0.17 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.72 2fed s GLU 199 CO 0.73 0.41 0.66 0.99 -0.54 0.00 0.00 175.26 177.51 2fed s THR 200 N -1.79 4.98 -0.23 -1.70 2.01 -1.26 -4.51 115.64 113.14 2fed s THR 200 Ca 0.41 1.22 -0.06 0.00 0.31 0.00 0.00 61.69 63.58 2fed s THR 200 Cb -0.12 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2fed s THR 200 CO 0.27 0.05 0.01 -0.69 -0.69 0.00 0.00 174.62 173.58 2fed s VAL 201 N 2.27 3.91 0.03 3.82 1.01 -1.26 -4.99 120.40 125.19 2fed s VAL 201 Ca 0.29 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.03 2fed s VAL 201 Cb -0.16 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2fed s VAL 201 CO 0.09 0.39 -0.23 -0.89 0.00 0.00 0.00 175.10 174.47 2fed s THR 202 N 1.39 1.82 -0.13 3.92 2.01 -1.26 -1.15 115.64 122.23 2fed s THR 202 Ca 0.05 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 2fed s THR 202 Cb -0.15 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2fed s THR 202 CO 0.01 0.30 -0.05 0.00 -0.69 0.00 0.00 174.62 174.19 2fed s ASN 204 N 0.11 5.39 -0.21 0.00 -0.87 0.19 -0.46 114.94 119.09 2fed s ASN 204 Ca -0.02 -0.51 -0.02 0.00 -1.57 0.00 0.00 52.86 50.75 2fed s ASN 204 Cb -0.14 -1.96 0.01 0.00 -0.02 0.00 0.00 41.25 39.14 2fed s ASN 204 CO 0.03 -0.17 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.60 2fed s VAL 205 N 1.59 2.81 -0.19 1.60 1.01 0.42 -1.79 120.40 125.85 2fed s VAL 205 Ca 0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2fed s VAL 205 Cb -0.17 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2fed s VAL 205 CO 0.05 0.42 -0.07 0.00 0.00 0.00 0.00 175.10 175.50 2fed s ALA 206 N 1.38 2.78 -0.50 5.51 0.00 -0.65 -0.03 121.76 130.26 2fed s ALA 206 Ca 0.04 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2fed s ALA 206 Cb -0.14 -1.56 0.14 0.00 0.00 0.00 0.00 23.12 21.56 2fed s ALA 206 CO -0.07 -0.18 0.27 -1.58 0.00 0.00 0.00 175.76 174.20 2fed s HIS 207 N 1.06 2.68 -0.14 0.00 2.46 0.10 -1.14 115.29 120.31 2fed s HIS 207 Ca 0.00 -2.87 0.29 0.00 0.47 0.00 0.00 55.06 52.95 2fed s HIS 207 Cb -0.15 -2.40 0.90 0.00 -0.13 0.00 0.00 32.58 30.80 2fed s HIS 207 CO -0.01 -0.74 1.81 -1.00 -2.47 0.00 0.00 174.74 172.33 2fed h PRO 208 N 6.49 0.00 -0.39 2.88 0.13 -1.80 0.17 132.00 139.49 2fed h PRO 208 Ca -0.03 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.21 2fed h PRO 208 Cb 0.90 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 2fed h PRO 208 CO 0.60 0.00 0.40 0.00 -0.23 0.00 0.00 178.00 178.78 2fed h ALA 209 N 2.00 2.10 0.00 -0.56 0.00 -1.93 -1.63 119.26 119.24 2fed h ALA 209 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2fed h ALA 209 Cb 0.74 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2fed h ALA 209 CO 0.00 -0.60 -0.46 -1.13 0.00 0.00 0.00 179.25 177.06 2fed n SER 210 N -3.77 1.24 -3.81 0.00 3.41 -1.04 -4.97 113.62 104.68 2fed n SER 210 Ca 0.07 -2.70 -0.30 0.00 -0.26 0.00 0.00 58.87 55.68 2fed n SER 210 Cb 0.58 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.18 2fed n SER 210 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2fed n SER 211 N -0.55 -4.36 -4.55 4.04 7.64 -0.61 -4.88 113.62 110.34 2fed n SER 211 Ca 0.10 -0.71 -0.40 0.00 1.01 0.00 0.00 58.87 58.86 2fed n SER 211 Cb 0.77 -3.52 -0.10 0.00 -1.01 0.00 0.00 64.21 60.35 2fed n SER 211 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2fed s THR 212 N -3.20 5.25 -0.24 0.44 2.01 0.59 -4.97 115.64 115.51 2fed s THR 212 Ca 0.61 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.61 2fed s THR 212 Cb -0.31 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.53 2fed s THR 212 CO 0.75 0.02 -0.11 -0.54 -0.69 0.00 0.00 174.62 174.05 2fed s LYS 213 N 1.84 2.51 -0.06 4.92 1.02 -1.26 0.03 119.74 128.75 2fed s LYS 213 Ca 0.09 -1.17 0.02 0.00 0.02 0.00 0.00 55.97 54.93 2fed s LYS 213 Cb -0.17 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 2fed s LYS 213 CO 0.11 -0.47 -0.11 0.08 -0.92 0.00 0.00 175.35 174.03 2fed s VAL 214 N 1.19 1.06 -0.20 3.17 1.01 0.95 -5.00 120.40 122.59 2fed s VAL 214 Ca -0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2fed s VAL 214 Cb -0.18 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2fed s VAL 214 CO -0.06 0.33 0.01 -1.81 0.00 0.00 0.00 175.10 173.57 2fed s ASP 215 N 0.56 5.00 -0.16 3.32 1.01 -1.26 0.16 116.67 125.29 2fed s ASP 215 Ca -0.12 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.00 2fed s ASP 215 Cb -0.14 -1.85 0.03 0.00 1.01 0.00 0.00 42.92 41.96 2fed s ASP 215 CO 0.03 0.09 -0.12 -0.75 0.21 0.00 0.00 175.17 174.63 2fed s LYS 216 N 0.86 2.10 0.05 8.23 2.47 0.39 -4.97 119.74 128.87 2fed s LYS 216 Ca 0.01 -0.62 -0.27 0.00 -1.56 0.00 0.00 55.97 53.54 2fed s LYS 216 Cb -0.14 -2.16 -0.05 0.00 -1.46 0.00 0.00 37.83 34.02 2fed s LYS 216 CO 0.02 -0.31 0.83 0.21 0.16 0.00 0.00 175.35 176.26 2fed s LYS 217 N 1.49 4.55 -0.65 4.03 2.20 -1.26 -1.63 119.74 128.46 2fed s LYS 217 Ca 0.03 1.19 -0.20 0.00 -0.36 0.00 0.00 55.97 56.62 2fed s LYS 217 Cb -0.14 -3.38 0.10 0.00 -1.51 0.00 0.00 37.83 32.89 2fed s LYS 217 CO -0.10 0.21 0.85 0.42 -0.36 0.00 0.00 175.35 176.37 2fed s ILE 218 N 0.15 4.63 -0.10 5.43 -1.09 -0.30 -4.85 121.20 125.06 2fed s ILE 218 Ca 0.42 -0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 57.98 2fed s ILE 218 Cb -0.21 -4.59 -0.03 0.00 -1.58 0.00 0.00 42.46 36.04 2fed s ILE 218 CO 0.25 -1.29 0.02 0.68 -1.23 0.00 0.00 174.94 173.36 2fed s VAL 219 N 3.18 4.46 0.57 2.92 -7.23 -1.26 -4.58 120.40 118.46 2fed s VAL 219 Ca 0.18 -0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 59.97 2fed s VAL 219 Cb -0.19 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 2fed s VAL 219 CO 0.06 0.59 1.19 -2.16 -0.31 0.00 0.00 175.10 174.47 2fed s PRO 220 N -0.72 3.10 -0.56 4.82 0.04 -1.26 -4.76 135.00 135.66 2fed s PRO 220 Ca 0.12 1.77 -0.27 0.00 0.04 0.00 0.00 61.00 62.66 2fed s PRO 220 Cb -0.12 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2fed s PRO 220 CO 0.02 -1.09 1.90 1.03 0.04 0.00 0.00 177.00 178.91 2fed s ARG 221 N -3.29 2.68 0.00 4.56 0.52 -1.26 -5.12 118.95 117.03 2fed s ARG 221 Ca 0.76 0.80 0.17 0.00 -0.52 0.00 0.00 55.73 56.94 2fed s ARG 221 Cb -0.29 -4.38 1.02 0.00 0.52 0.00 0.00 34.95 31.82 2fed s ARG 221 CO 0.31 -2.66 1.42 0.00 0.02 0.00 0.00 175.30 174.40