#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ook s VAL 17 N 0.00 5.13 -1.48 1.39 1.01 0.06 -4.27 120.40 122.25 1ook s VAL 17 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1ook s VAL 17 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1ook s VAL 17 CO 0.00 0.50 0.33 -0.62 0.00 0.00 0.00 175.10 175.31 1ook n GLU 18 N 3.07 -3.26 0.00 2.72 -0.58 -1.26 -2.45 120.64 118.87 1ook n GLU 18 Ca -0.17 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1ook n GLU 18 Cb 0.53 -5.47 0.00 0.00 -0.57 0.00 0.00 31.44 25.93 1ook n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ook n GLY 19 N -1.28 3.83 3.20 0.62 0.00 -1.26 -4.60 105.19 105.69 1ook n GLY 19 Ca -0.15 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 1ook n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ook s SER 20 N -0.33 0.21 0.30 1.61 1.04 -0.07 -4.91 113.70 111.55 1ook s SER 20 Ca 0.00 -1.23 -0.29 0.00 0.48 0.00 0.00 55.95 54.91 1ook s SER 20 Cb 0.00 0.35 -0.11 0.00 0.10 0.00 0.00 66.02 66.36 1ook s SER 20 CO 0.00 -0.80 1.49 -1.81 0.98 0.00 0.00 173.24 173.10 1ook s ASP 21 N -3.08 6.51 0.50 7.02 1.01 -1.26 -0.69 116.67 126.68 1ook s ASP 21 Ca 0.28 2.84 -0.19 0.00 0.71 0.00 0.00 52.55 56.20 1ook s ASP 21 Cb 0.07 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 1ook s ASP 21 CO 0.05 -0.79 1.00 0.00 0.21 0.00 0.00 175.17 175.64 1ook s ALA 22 N -0.33 2.95 0.57 5.23 0.00 -0.34 -4.80 121.76 125.06 1ook s ALA 22 Ca 0.58 0.39 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 1ook s ALA 22 Cb -0.45 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 1ook s ALA 22 CO 0.50 -0.24 1.01 -1.21 0.00 0.00 0.00 175.76 175.81 1ook s GLU 23 N -3.60 3.75 0.18 0.00 2.02 -1.26 -4.93 118.70 114.87 1ook s GLU 23 Ca 0.63 0.84 -0.32 0.00 0.02 0.00 0.00 54.97 56.14 1ook s GLU 23 Cb -0.12 -2.10 -0.11 0.00 0.10 0.00 0.00 34.13 31.89 1ook s GLU 23 CO 0.24 -0.44 1.68 0.42 0.02 0.00 0.00 175.26 177.18 1ook s ILE 24 N -2.94 2.29 -0.41 -1.63 -1.09 -1.26 -1.81 121.20 114.36 1ook s ILE 24 Ca 0.57 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 1ook s ILE 24 Cb -0.11 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1ook s ILE 24 CO 0.44 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1ook n GLY 25 N 3.94 0.58 0.21 6.18 0.00 -1.26 -4.88 105.19 109.96 1ook n GLY 25 Ca 0.15 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1ook n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ook h MET 26 N 0.31 0.00 -1.90 1.61 -1.53 -1.72 -3.32 114.93 108.38 1ook h MET 26 Ca -0.08 0.00 -0.48 0.00 -3.44 0.00 0.00 59.70 55.70 1ook h MET 26 Cb 0.59 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.26 1ook h MET 26 CO 0.11 0.31 -1.15 0.45 0.14 0.00 0.00 176.91 176.77 1ook n SER 27 N -3.56 0.58 0.15 1.39 2.88 -1.26 -4.98 113.62 108.81 1ook n SER 27 Ca -0.01 -3.00 0.06 0.00 -1.33 0.00 0.00 58.87 54.59 1ook n SER 27 Cb 0.45 -0.49 0.32 0.00 -0.75 0.00 0.00 64.21 63.74 1ook n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ook n PRO 28 N 0.44 0.08 0.00 -1.46 -0.04 -1.25 -0.27 135.00 132.50 1ook n PRO 28 Ca 0.24 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.36 1ook n PRO 28 Cb 0.64 -2.06 0.22 0.00 -0.04 0.00 0.00 33.50 32.27 1ook n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ook n TRP 29 N -1.98 0.00 -1.72 0.54 2.14 -0.92 -1.87 117.44 113.64 1ook n TRP 29 Ca -0.01 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1ook n TRP 29 Cb 0.31 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.70 1ook n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1ook n GLN 30 N -0.51 2.63 -4.72 -2.67 -0.06 0.63 -1.46 117.38 111.22 1ook n GLN 30 Ca 0.11 0.94 -0.24 0.00 -2.00 0.00 0.00 57.00 55.81 1ook n GLN 30 Cb 0.39 -2.75 -0.15 0.00 -4.06 0.00 0.00 30.24 23.67 1ook n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1ook s VAL 31 N 0.75 1.43 -0.21 1.69 1.01 0.16 -4.01 120.40 121.22 1ook s VAL 31 Ca 0.72 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1ook s VAL 31 Cb -0.54 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1ook s VAL 31 CO 0.38 0.28 0.00 -0.32 0.00 0.00 0.00 175.10 175.45 1ook s MET 32 N -0.74 3.57 -0.29 2.72 1.75 0.23 -1.01 119.30 125.53 1ook s MET 32 Ca 0.06 -0.54 -0.20 0.00 -1.25 0.00 0.00 55.69 53.77 1ook s MET 32 Cb -0.08 -3.11 -0.01 0.00 2.84 0.00 0.00 34.83 34.47 1ook s MET 32 CO 0.00 -0.07 0.62 -0.51 -0.65 0.00 0.00 175.02 174.41 1ook s LEU 33 N 1.22 4.11 -0.09 4.11 1.43 -0.22 -0.67 118.68 128.57 1ook s LEU 33 Ca 0.03 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 1ook s LEU 33 Cb -0.15 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1ook s LEU 33 CO 0.01 -0.43 -0.13 0.12 0.23 0.00 0.00 176.35 176.15 1ook s PHE 34 N 2.55 2.78 -0.04 0.29 5.36 -0.20 -1.57 117.98 127.15 1ook s PHE 34 Ca 0.25 -0.37 -0.19 0.00 -0.96 0.00 0.00 56.93 55.65 1ook s PHE 34 Cb -0.15 -1.75 -0.05 0.00 -0.34 0.00 0.00 43.02 40.73 1ook s PHE 34 CO 0.11 0.00 0.55 0.50 -1.46 0.00 0.00 175.22 174.92 1ook s ARG 35 N -0.19 4.29 -0.00 10.12 3.52 0.57 -0.97 118.95 136.30 1ook s ARG 35 Ca 0.00 0.63 -0.25 0.00 -0.13 0.00 0.00 55.73 55.98 1ook s ARG 35 Cb -0.13 -3.37 -0.19 0.00 -1.56 0.00 0.00 34.95 29.70 1ook s ARG 35 CO 0.03 0.32 1.35 0.87 -0.81 0.00 0.00 175.30 177.05 1ook h LYS 36 N 5.95 -0.01 -2.76 5.12 1.57 -1.61 -2.87 116.57 121.96 1ook h LYS 36 Ca -0.44 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.04 1ook h LYS 36 Cb 1.20 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.15 1ook h LYS 36 CO 0.71 0.40 -0.62 0.45 -0.57 0.00 0.00 179.45 179.82 1ook s SER 36 N -5.60 1.08 0.84 0.86 0.15 -1.26 -3.22 113.70 106.56 1ook s SER 36 Ca -0.15 0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 1ook s SER 36 Cb 0.02 0.38 0.10 0.00 -1.71 0.00 0.00 66.02 64.81 1ook s SER 36 CO 0.67 -0.29 1.11 -2.16 1.20 0.00 0.00 173.24 173.77 1ook s PRO 37 N 2.32 1.72 -0.23 5.44 0.04 -1.26 -5.06 135.00 137.97 1ook s PRO 37 Ca 0.05 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.34 1ook s PRO 37 Cb -0.14 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1ook s PRO 37 CO -0.10 -1.85 1.27 -0.65 0.04 0.00 0.00 177.00 175.71 1ook s GLN 38 N -5.17 4.10 -0.12 4.56 -0.21 -1.20 -4.61 119.66 117.01 1ook s GLN 38 Ca 0.62 1.47 -0.30 0.00 0.02 0.00 0.00 55.36 57.16 1ook s GLN 38 Cb -0.15 -3.81 0.10 0.00 1.00 0.00 0.00 33.01 30.15 1ook s GLN 38 CO 0.54 -0.88 0.84 -1.83 -2.12 0.00 0.00 175.29 171.84 1ook s GLU 39 N 3.77 0.82 -0.02 2.91 -1.05 -1.08 -4.97 118.70 119.08 1ook s GLU 39 Ca 0.55 0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 55.31 1ook s GLU 39 Cb -0.19 0.39 -0.03 0.00 -0.44 0.00 0.00 34.13 33.85 1ook s GLU 39 CO 0.18 -0.25 1.09 -1.17 0.95 0.00 0.00 175.26 176.06 1ook s LEU 40 N -1.05 4.33 -0.00 1.83 0.20 -1.26 -0.31 118.68 122.40 1ook s LEU 40 Ca -0.06 1.76 0.05 0.00 0.69 0.00 0.00 54.13 56.57 1ook s LEU 40 Cb -0.01 -3.57 -0.07 0.00 -0.43 0.00 0.00 46.19 42.12 1ook s LEU 40 CO 0.05 -0.42 0.13 0.00 -0.29 0.00 0.00 176.35 175.83 1ook n LEU 41 N 4.39 0.06 -3.63 -0.68 -0.00 -0.61 -4.92 117.00 111.61 1ook n LEU 41 Ca 0.08 -0.14 0.02 0.00 -0.00 0.00 0.00 56.01 55.97 1ook n LEU 41 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1ook n LEU 41 CO 0.54 0.02 1.06 0.00 -0.00 0.00 0.00 177.39 179.00 1ook s GLY 43 N -3.01 1.75 0.03 0.00 0.00 0.17 -1.05 107.32 105.21 1ook s GLY 43 Ca 0.15 -2.06 -0.28 0.00 0.00 0.00 0.00 44.72 42.53 1ook s GLY 43 CO -0.04 -1.61 1.22 0.00 0.00 0.00 0.00 173.10 172.67 1ook s ALA 44 N -2.70 -2.17 0.03 3.20 0.00 -0.18 -3.77 121.76 116.16 1ook s ALA 44 Ca 0.62 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1ook s ALA 44 Cb -0.06 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1ook s ALA 44 CO 0.39 -1.09 -0.04 -1.54 0.00 0.00 0.00 175.76 173.48 1ook s SER 45 N -3.38 0.39 -0.22 0.00 1.04 0.04 -0.66 113.70 110.90 1ook s SER 45 Ca 0.21 -0.57 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 1ook s SER 45 Cb 0.01 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1ook s SER 45 CO -0.01 -0.32 0.31 -0.22 0.98 0.00 0.00 173.24 173.99 1ook s LEU 46 N -1.67 4.12 0.00 2.42 2.96 -0.54 -0.19 118.68 125.79 1ook s LEU 46 Ca -0.12 0.34 0.10 0.00 -0.22 0.00 0.00 54.13 54.23 1ook s LEU 46 Cb -0.08 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.27 1ook s LEU 46 CO -0.02 -0.05 0.66 2.30 -1.32 0.00 0.00 176.35 177.93 1ook n ILE 47 N 4.44 0.00 -3.86 6.68 -5.35 -0.45 -1.65 119.36 119.17 1ook n ILE 47 Ca -0.11 -0.42 -0.02 0.00 -0.27 0.00 0.00 62.75 61.93 1ook n ILE 47 Cb 0.51 1.13 0.02 0.00 -1.74 0.00 0.00 39.64 39.57 1ook n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ook n SER 48 N -0.08 -1.52 0.00 7.28 3.41 -1.21 -4.72 113.62 116.78 1ook n SER 48 Ca 0.04 -1.77 0.09 0.00 -0.26 0.00 0.00 58.87 56.98 1ook n SER 48 Cb 0.21 2.46 0.51 0.00 -0.26 0.00 0.00 64.21 67.13 1ook n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ook n ASP 49 N -1.20 0.00 0.00 4.04 5.75 -1.26 -3.60 116.55 120.27 1ook n ASP 49 Ca -0.02 -0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1ook n ASP 49 Cb 0.52 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1ook n ASP 49 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1ook n ARG 50 N -1.20 0.00 -5.23 0.11 1.85 -1.26 -0.62 116.66 110.30 1ook n ARG 50 Ca 0.11 -0.06 -0.31 0.00 -1.00 0.00 0.00 57.85 56.58 1ook n ARG 50 Cb 0.13 -0.42 -0.17 0.00 -1.05 0.00 0.00 32.46 30.95 1ook n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1ook s TRP 51 N 0.00 2.44 -0.04 2.89 0.52 -1.24 -0.42 118.94 123.10 1ook s TRP 51 Ca 0.00 -0.82 0.06 0.00 0.02 0.00 0.00 56.10 55.36 1ook s TRP 51 Cb 0.00 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.69 1ook s TRP 51 CO 0.00 -0.28 -0.23 0.08 0.02 0.00 0.00 176.95 176.54 1ook s VAL 52 N 0.01 1.83 -0.10 4.03 1.01 0.65 -1.34 120.40 126.49 1ook s VAL 52 Ca -0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1ook s VAL 52 Cb -0.15 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1ook s VAL 52 CO 0.05 0.52 -0.04 -0.22 0.00 0.00 0.00 175.10 175.41 1ook s LEU 53 N -0.29 3.29 0.00 3.92 2.96 0.74 0.14 118.68 129.44 1ook s LEU 53 Ca 0.02 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1ook s LEU 53 Cb -0.11 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1ook s LEU 53 CO 0.01 0.31 0.26 1.07 -1.32 0.00 0.00 176.35 176.68 1ook n THR 54 N 2.61 0.00 -3.25 3.68 5.66 -0.67 -0.78 114.28 121.52 1ook n THR 54 Ca -0.18 -0.80 -0.39 0.00 -3.05 0.00 0.00 64.05 59.64 1ook n THR 54 Cb 0.53 0.52 -0.06 0.00 -1.55 0.00 0.00 70.33 69.77 1ook n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ook s ALA 55 N -2.05 3.51 0.23 1.79 0.00 -1.26 -1.50 121.76 122.47 1ook s ALA 55 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1ook s ALA 55 Cb -0.01 -2.69 0.32 0.00 0.00 0.00 0.00 23.12 20.75 1ook s ALA 55 CO 0.09 0.17 1.81 0.00 0.00 0.00 0.00 175.76 177.83 1ook h ALA 56 N 5.74 1.04 0.00 0.00 0.00 -1.69 -1.99 119.26 122.35 1ook h ALA 56 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ook h ALA 56 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ook h ALA 56 CO 0.70 0.07 0.00 -2.39 0.00 0.00 0.00 179.25 177.63 1ook n HIS 57 N -4.77 0.00 0.24 0.00 1.44 -1.25 -0.85 115.22 110.03 1ook n HIS 57 Ca 0.11 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.96 1ook n HIS 57 Cb 0.23 -0.38 0.37 0.00 0.12 0.00 0.00 29.99 30.33 1ook n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ook n LEU 59 N -3.10 2.74 -3.83 0.00 4.77 -0.03 -4.88 117.00 112.67 1ook n LEU 59 Ca 0.03 -0.03 -0.26 0.00 -0.03 0.00 0.00 56.01 55.71 1ook n LEU 59 Cb 0.44 -0.36 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 1ook n LEU 59 CO 0.31 0.63 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.38 1ook s LEU 60 N -5.73 1.09 0.16 2.23 2.96 -0.03 -0.11 118.68 119.24 1ook s LEU 60 Ca -0.14 -0.39 -0.15 0.00 -0.22 0.00 0.00 54.13 53.23 1ook s LEU 60 Cb 0.04 -0.69 0.02 0.00 0.50 0.00 0.00 46.19 46.06 1ook s LEU 60 CO 0.24 -0.19 0.42 -0.47 -1.32 0.00 0.00 176.35 175.03 1ook s TYR 60 N 1.80 -0.04 0.00 5.38 5.04 0.08 -3.94 117.35 125.67 1ook s TYR 60 Ca 0.03 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 1ook s TYR 60 Cb -0.14 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.41 1ook s TYR 60 CO -0.07 -0.78 0.00 -2.30 -1.34 0.00 0.00 175.55 171.06 1ook n PRO 60 N -0.26 0.00 -0.10 4.97 -0.02 -1.26 -2.31 135.00 136.02 1ook n PRO 60 Ca -0.12 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.43 1ook n PRO 60 Cb 0.63 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.22 1ook n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ook n TRP 60 N 0.00 0.13 -2.18 6.00 8.01 -1.26 -4.96 117.44 123.18 1ook n TRP 60 Ca 0.00 -0.80 -0.21 0.00 -1.31 0.00 0.00 57.50 55.18 1ook n TRP 60 Cb 0.00 -0.13 -0.03 0.00 -2.01 0.00 0.00 31.31 29.14 1ook n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ook n ASP 60 N -0.93 -5.82 -4.69 -0.99 8.00 -1.15 -4.96 116.55 106.01 1ook n ASP 60 Ca 0.11 0.13 -0.38 0.00 0.71 0.00 0.00 54.79 55.36 1ook n ASP 60 Cb 0.54 -4.92 -0.07 0.00 -0.02 0.00 0.00 41.12 36.65 1ook n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ook s LYS 60 N -4.70 4.25 -0.42 -1.24 2.20 -0.98 -5.00 119.74 113.85 1ook s LYS 60 Ca 0.00 0.37 0.07 0.00 -0.36 0.00 0.00 55.97 56.05 1ook s LYS 60 Cb 0.00 -3.50 0.18 0.00 -1.51 0.00 0.00 37.83 33.00 1ook s LYS 60 CO 0.00 0.01 0.61 1.21 -0.36 0.00 0.00 175.35 176.82 1ook s ASN 60 N 0.89 -1.11 -0.07 1.43 2.47 -1.22 -0.74 114.94 116.59 1ook s ASN 60 Ca 0.23 -1.08 -0.18 0.00 0.42 0.00 0.00 52.86 52.25 1ook s ASN 60 Cb -0.15 1.73 -0.05 0.00 -1.45 0.00 0.00 41.25 41.33 1ook s ASN 60 CO 0.09 -0.16 0.48 -0.36 -3.72 0.00 0.00 177.10 173.43 1ook s PHE 60 N 1.60 3.60 0.40 0.43 0.08 0.84 -5.01 117.98 119.92 1ook s PHE 60 Ca 0.19 0.98 0.08 0.00 0.12 0.00 0.00 56.93 58.29 1ook s PHE 60 Cb -0.05 -2.50 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1ook s PHE 60 CO -0.06 0.31 0.51 0.99 -0.10 0.00 0.00 175.22 176.87 1ook s THR 60 N 0.07 3.13 0.24 0.64 2.01 -1.26 -4.85 115.64 115.62 1ook s THR 60 Ca 0.26 -1.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 1ook s THR 60 Cb -0.16 -3.07 0.22 0.00 0.01 0.00 0.00 72.50 69.49 1ook s THR 60 CO 0.12 -0.03 1.71 -0.33 -0.69 0.00 0.00 174.62 175.40 1ook h GLU 61 N 0.77 0.34 0.00 4.92 3.07 -1.94 -1.09 114.58 120.65 1ook h GLU 61 Ca -0.41 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1ook h GLU 61 Cb 1.27 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1ook h GLU 61 CO 0.49 0.22 0.00 -1.71 -1.40 0.00 0.00 179.01 176.61 1ook n ASN 62 N -5.08 0.56 0.02 1.42 4.05 -1.26 -2.93 115.26 112.04 1ook n ASN 62 Ca 0.14 0.64 0.12 0.00 0.45 0.00 0.00 54.58 55.93 1ook n ASN 62 Cb 0.42 -0.76 0.32 0.00 1.23 0.00 0.00 39.78 40.99 1ook n ASN 62 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1ook n ASP 63 N -2.12 0.47 -4.37 1.20 8.00 -0.41 -4.93 116.55 114.39 1ook n ASP 63 Ca 0.02 0.06 -0.19 0.00 0.71 0.00 0.00 54.79 55.39 1ook n ASP 63 Cb 0.22 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.22 1ook n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ook s LEU 64 N -3.42 2.48 0.14 0.64 1.43 -1.15 -1.59 118.68 117.21 1ook s LEU 64 Ca 0.10 -1.11 0.04 0.00 -1.03 0.00 0.00 54.13 52.14 1ook s LEU 64 Cb 0.16 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.76 1ook s LEU 64 CO 0.66 -0.29 -0.09 -0.76 0.23 0.00 0.00 176.35 176.10 1ook s LEU 65 N -3.35 2.51 -0.09 1.79 1.43 -0.14 -4.46 118.68 116.37 1ook s LEU 65 Ca 0.25 -1.02 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1ook s LEU 65 Cb 0.02 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.95 1ook s LEU 65 CO 0.08 -0.36 -0.17 -0.69 0.23 0.00 0.00 176.35 175.44 1ook s VAL 66 N -3.38 1.55 -0.21 -1.59 1.01 -0.40 -1.03 120.40 116.35 1ook s VAL 66 Ca 0.16 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1ook s VAL 66 Cb 0.03 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1ook s VAL 66 CO 0.00 0.45 -0.02 -0.13 0.00 0.00 0.00 175.10 175.40 1ook s ARG 67 N 0.62 3.49 0.06 2.72 0.52 0.15 -0.94 118.95 125.56 1ook s ARG 67 Ca -0.14 -0.58 0.09 0.00 -0.52 0.00 0.00 55.73 54.58 1ook s ARG 67 Cb -0.16 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 1ook s ARG 67 CO 0.04 -0.10 -0.25 0.42 0.02 0.00 0.00 175.30 175.43 1ook s ILE 68 N 1.27 2.30 0.00 1.52 1.01 -0.02 -0.60 121.20 126.67 1ook s ILE 68 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1ook s ILE 68 Cb -0.14 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1ook s ILE 68 CO -0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1ook n GLY 69 N 1.61 0.54 3.88 6.18 0.00 -1.26 -0.30 105.19 115.84 1ook n GLY 69 Ca -0.17 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1ook n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ook s LYS 70 N -0.60 3.45 0.11 1.61 1.02 -1.26 -4.28 119.74 119.79 1ook s LYS 70 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1ook s LYS 70 Cb 0.00 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1ook s LYS 70 CO 0.00 -0.57 0.00 1.58 -0.92 0.00 0.00 175.35 175.44 1ook n HIS 71 N -2.69 -0.73 -2.33 3.18 -0.00 -1.26 -4.96 115.22 106.44 1ook n HIS 71 Ca 0.05 0.13 -0.38 0.00 -0.00 0.00 0.00 57.72 57.52 1ook n HIS 71 Cb 0.55 0.29 -0.02 0.00 -0.00 0.00 0.00 29.99 30.80 1ook n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ook s SER 72 N -5.25 6.50 0.20 0.26 0.15 -1.26 -0.52 113.70 113.78 1ook s SER 72 Ca 0.00 2.29 0.01 0.00 0.70 0.00 0.00 55.95 58.95 1ook s SER 72 Cb 0.00 -2.61 0.14 0.00 -1.71 0.00 0.00 66.02 61.84 1ook s SER 72 CO 0.00 -0.69 1.49 -0.09 1.20 0.00 0.00 173.24 175.15 1ook h ARG 73 N 2.52 0.34 0.00 5.44 2.43 -1.24 -3.40 114.38 120.47 1ook h ARG 73 Ca -0.49 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.42 1ook h ARG 73 Cb 1.23 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1ook h ARG 73 CO 0.62 0.89 -0.74 0.25 -1.51 0.00 0.00 179.97 179.47 1ook n THR 74 N -3.86 0.00 -2.19 0.20 -2.24 -1.26 -5.04 114.28 99.89 1ook n THR 74 Ca -0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1ook n THR 74 Cb 0.66 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1ook n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1ook s ARG 75 N -1.60 4.35 0.13 -0.78 3.52 -1.26 -4.97 118.95 118.35 1ook s ARG 75 Ca 0.00 2.07 -0.31 0.00 -0.13 0.00 0.00 55.73 57.36 1ook s ARG 75 Cb 0.00 -3.22 -0.08 0.00 -1.56 0.00 0.00 34.95 30.09 1ook s ARG 75 CO 0.00 -0.35 1.29 -0.47 -0.81 0.00 0.00 175.30 174.96 1ook s TYR 76 N 0.60 3.33 -0.74 5.12 5.04 -1.26 -4.79 117.35 124.65 1ook s TYR 76 Ca 0.61 1.19 -0.07 0.00 -2.44 0.00 0.00 57.07 56.36 1ook s TYR 76 Cb -0.37 -3.55 0.19 0.00 0.35 0.00 0.00 41.96 38.58 1ook s TYR 76 CO 0.34 -1.78 0.62 -1.21 -1.34 0.00 0.00 175.55 172.18 1ook s GLU 77 N 0.55 3.07 0.00 4.97 2.02 -1.26 -5.04 118.70 123.01 1ook s GLU 77 Ca 0.59 -2.62 0.00 0.00 0.02 0.00 0.00 54.97 52.96 1ook s GLU 77 Cb -0.34 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 29.86 1ook s GLU 77 CO 0.33 -1.23 0.00 -2.13 0.02 0.00 0.00 175.26 172.25 1ook n ARG 77 N 3.48 0.00 -1.66 1.61 3.00 -1.26 -1.30 116.66 120.54 1ook n ARG 77 Ca 0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.60 1ook n ARG 77 Cb 0.41 0.00 0.06 0.00 0.00 0.00 0.00 32.46 32.93 1ook n ARG 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ook n ASN 78 N 0.00 7.56 0.03 6.15 3.02 -1.26 -4.29 115.26 126.47 1ook n ASN 78 Ca 0.00 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.74 1ook n ASN 78 Cb 0.00 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 1ook n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1ook n ILE 79 N -0.71 0.58 -2.73 2.41 5.41 -0.46 -5.07 119.36 118.78 1ook n ILE 79 Ca 0.58 0.19 -0.29 0.00 1.00 0.00 0.00 62.75 64.23 1ook n ILE 79 Cb 0.44 -1.47 -0.01 0.00 -0.71 0.00 0.00 39.64 37.88 1ook n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ook s GLU 80 N -2.00 3.63 -0.04 0.38 -1.05 -0.42 -4.71 118.70 114.50 1ook s GLU 80 Ca 0.00 0.30 0.04 0.00 -0.15 0.00 0.00 54.97 55.16 1ook s GLU 80 Cb 0.00 -2.39 -0.00 0.00 -0.44 0.00 0.00 34.13 31.30 1ook s GLU 80 CO 0.00 -0.13 -0.14 0.21 0.95 0.00 0.00 175.26 176.15 1ook s LYS 81 N -4.37 1.48 -0.23 -4.83 2.36 0.59 -4.92 119.74 109.82 1ook s LYS 81 Ca 0.49 -0.50 -0.05 0.00 -2.55 0.00 0.00 55.97 53.35 1ook s LYS 81 Cb -0.10 -1.32 -0.02 0.00 -1.05 0.00 0.00 37.83 35.34 1ook s LYS 81 CO 0.39 0.20 0.00 0.42 1.55 0.00 0.00 175.35 177.92 1ook s ILE 82 N 0.07 3.74 0.21 5.43 1.01 -1.26 -0.85 121.20 129.55 1ook s ILE 82 Ca -0.03 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.36 1ook s ILE 82 Cb -0.10 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1ook s ILE 82 CO 0.01 0.39 -0.16 -0.44 0.00 0.00 0.00 174.94 174.75 1ook s SER 83 N 1.52 3.87 0.31 3.58 0.01 -0.12 -4.97 113.70 117.91 1ook s SER 83 Ca 0.06 -0.76 0.06 0.00 1.31 0.00 0.00 55.95 56.63 1ook s SER 83 Cb -0.15 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.58 1ook s SER 83 CO -0.01 0.09 0.41 -0.04 0.41 0.00 0.00 173.24 174.10 1ook s MET 84 N -2.93 3.12 -0.18 12.44 -1.94 -1.26 -1.27 119.30 127.27 1ook s MET 84 Ca 0.24 -1.00 -0.10 0.00 -1.71 0.00 0.00 55.69 53.12 1ook s MET 84 Cb -0.08 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 1ook s MET 84 CO 0.13 0.16 0.14 -0.51 -0.01 0.00 0.00 175.02 174.94 1ook s LEU 85 N -4.09 4.24 -0.14 -0.03 1.43 -1.26 -1.21 118.68 117.61 1ook s LEU 85 Ca 0.41 0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 1ook s LEU 85 Cb -0.09 -2.11 -0.24 0.00 0.03 0.00 0.00 46.19 43.78 1ook s LEU 85 CO 0.30 0.21 0.39 -0.08 0.23 0.00 0.00 176.35 177.39 1ook h GLU 86 N 6.41 0.16 -2.46 1.70 4.81 -0.67 -3.43 114.58 121.10 1ook h GLU 86 Ca -0.43 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 58.43 1ook h GLU 86 Cb 1.16 0.10 -0.21 0.00 0.63 0.00 0.00 28.75 30.44 1ook h GLU 86 CO 0.73 1.13 -0.04 0.21 -0.73 0.00 0.00 179.01 180.31 1ook s LYS 87 N -2.46 0.79 -0.12 1.92 2.47 -1.15 -5.00 119.74 116.18 1ook s LYS 87 Ca -0.24 0.32 -0.01 0.00 -1.56 0.00 0.00 55.97 54.48 1ook s LYS 87 Cb 0.05 0.37 -0.02 0.00 -1.46 0.00 0.00 37.83 36.77 1ook s LYS 87 CO 0.71 -0.19 -0.09 0.42 0.16 0.00 0.00 175.35 176.35 1ook s ILE 88 N -0.67 3.45 -0.23 5.43 1.01 -1.26 -1.24 121.20 127.69 1ook s ILE 88 Ca -0.08 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1ook s ILE 88 Cb -0.03 -2.46 0.06 0.00 0.01 0.00 0.00 42.46 40.04 1ook s ILE 88 CO 0.05 0.53 -0.06 -0.31 0.00 0.00 0.00 174.94 175.15 1ook s TYR 89 N 0.07 2.39 -0.12 3.97 2.02 0.44 -4.99 117.35 121.14 1ook s TYR 89 Ca -0.03 -1.71 -0.06 0.00 -0.37 0.00 0.00 57.07 54.90 1ook s TYR 89 Cb -0.14 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1ook s TYR 89 CO 0.04 -0.76 0.10 0.42 -1.57 0.00 0.00 175.55 173.77 1ook s ILE 90 N 1.40 5.17 0.05 2.71 1.01 -1.26 0.20 121.20 130.47 1ook s ILE 90 Ca -0.05 0.08 -0.35 0.00 0.00 0.00 0.00 60.65 60.34 1ook s ILE 90 Cb -0.18 -3.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.91 1ook s ILE 90 CO -0.07 0.60 1.67 1.57 0.00 0.00 0.00 174.94 178.71 1ook n HIS 91 N 2.19 2.21 0.20 3.97 -0.00 -1.02 -4.81 115.22 117.97 1ook n HIS 91 Ca -0.19 0.22 0.18 0.00 -0.00 0.00 0.00 57.72 57.93 1ook n HIS 91 Cb 0.54 -2.56 0.83 0.00 -0.00 0.00 0.00 29.99 28.80 1ook n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ook h PRO 92 N 7.01 0.00 -0.37 1.57 0.13 -1.95 -1.20 132.00 137.18 1ook h PRO 92 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 1ook h PRO 92 Cb 1.27 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.29 1ook h PRO 92 CO 0.90 0.00 -0.04 0.54 -0.23 0.00 0.00 178.00 179.17 1ook n ARG 93 N -3.59 1.96 -1.95 0.86 5.12 -1.26 -5.00 116.66 112.79 1ook n ARG 93 Ca 0.02 -3.14 -0.42 0.00 -1.93 0.00 0.00 57.85 52.38 1ook n ARG 93 Cb 0.39 -1.84 -0.03 0.00 -1.16 0.00 0.00 32.46 29.83 1ook n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1ook s TYR 94 N -3.21 2.55 -0.87 -1.55 5.04 -0.46 -4.75 117.35 114.10 1ook s TYR 94 Ca 0.45 0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 55.34 1ook s TYR 94 Cb 0.40 -3.94 0.22 0.00 0.35 0.00 0.00 41.96 39.00 1ook s TYR 94 CO 0.01 -3.70 0.83 1.21 -1.34 0.00 0.00 175.55 172.56 1ook s ASN 95 N 2.18 6.82 0.36 4.32 3.84 -0.01 -4.85 114.94 127.61 1ook s ASN 95 Ca 0.73 -2.76 0.21 0.00 0.21 0.00 0.00 52.86 51.25 1ook s ASN 95 Cb -0.40 -2.22 0.22 0.00 -0.55 0.00 0.00 41.25 38.30 1ook s ASN 95 CO 0.32 -0.57 1.47 4.11 -2.79 0.00 0.00 177.10 179.64 1ook h TRP 96 N 7.71 0.00 -0.07 0.43 5.08 -1.92 0.20 115.95 127.38 1ook h TRP 96 Ca 0.12 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.05 1ook h TRP 96 Cb 1.02 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.17 1ook h TRP 96 CO 1.02 0.14 -0.13 0.00 -1.28 0.00 0.00 178.44 178.19 1ook h ARG 97 N 0.00 0.11 0.00 0.12 3.08 -2.00 -3.42 114.38 112.26 1ook h ARG 97 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ook h ARG 97 Cb 1.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1ook h ARG 97 CO 0.02 0.24 -0.48 -1.91 -1.07 0.00 0.00 179.97 176.77 1ook n GLU 97 N -4.33 0.00 -0.11 0.04 2.13 -1.26 -5.01 120.64 112.11 1ook n GLU 97 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1ook n GLU 97 Cb 0.23 -0.41 0.00 0.00 0.27 0.00 0.00 31.44 31.53 1ook n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ook n ASN 98 N -2.48 0.00 -3.49 4.31 0.23 -1.25 -4.88 115.26 107.71 1ook n ASN 98 Ca 0.00 -1.18 -0.23 0.00 -0.53 0.00 0.00 54.58 52.64 1ook n ASN 98 Cb 0.24 -0.04 0.08 0.00 -2.08 0.00 0.00 39.78 37.98 1ook n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ook n LEU 99 N 0.00 -3.39 -4.75 -4.53 4.77 0.68 -4.93 117.00 104.86 1ook n LEU 99 Ca 0.00 -0.52 -0.41 0.00 -0.03 0.00 0.00 56.01 55.04 1ook n LEU 99 Cb 0.54 -2.96 -0.03 0.00 -2.33 0.00 0.00 43.42 38.65 1ook n LEU 99 CO 0.00 0.63 1.03 -0.62 -1.33 0.00 0.00 177.39 177.10 1ook s ASP 100 N -3.35 6.78 -1.02 -1.43 2.15 -1.16 -2.84 116.67 115.80 1ook s ASP 100 Ca 0.55 2.56 -0.02 0.00 0.43 0.00 0.00 52.55 56.07 1ook s ASP 100 Cb -0.24 -2.62 -0.02 0.00 -0.30 0.00 0.00 42.92 39.74 1ook s ASP 100 CO 0.70 -0.60 0.86 0.54 -0.17 0.00 0.00 175.17 176.51 1ook n ARG 101 N 2.16 -4.60 -2.70 4.34 1.74 -1.26 -0.83 116.66 115.51 1ook n ARG 101 Ca 0.05 0.76 -0.43 0.00 -0.77 0.00 0.00 57.85 57.46 1ook n ARG 101 Cb 0.42 -5.45 -0.01 0.00 -1.02 0.00 0.00 32.46 26.40 1ook n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ook s ASP 102 N -3.92 6.77 -0.06 0.55 2.15 -1.13 -4.43 116.67 116.59 1ook s ASP 102 Ca 0.14 -2.25 -0.22 0.00 0.43 0.00 0.00 52.55 50.65 1ook s ASP 102 Cb -0.02 -2.52 0.05 0.00 -0.30 0.00 0.00 42.92 40.13 1ook s ASP 102 CO 0.65 -1.16 0.50 -0.51 -0.17 0.00 0.00 175.17 174.48 1ook s ILE 103 N 3.66 0.02 -0.09 4.11 2.07 -1.26 -3.88 121.20 125.82 1ook s ILE 103 Ca 0.47 -0.20 -0.19 0.00 -1.41 0.00 0.00 60.65 59.32 1ook s ILE 103 Cb 0.00 -0.79 0.04 0.00 0.13 0.00 0.00 42.46 41.85 1ook s ILE 103 CO -0.01 -0.11 0.46 0.00 -1.91 0.00 0.00 174.94 173.38 1ook s ALA 104 N -0.96 -1.17 0.05 1.50 0.00 -0.57 -2.44 121.76 118.17 1ook s ALA 104 Ca -0.10 0.98 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1ook s ALA 104 Cb -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1ook s ALA 104 CO 0.06 -0.27 -0.06 -0.51 0.00 0.00 0.00 175.76 174.98 1ook s LEU 105 N -0.61 3.20 -0.07 0.00 1.43 0.13 -1.67 118.68 121.09 1ook s LEU 105 Ca -0.07 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1ook s LEU 105 Cb -0.03 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1ook s LEU 105 CO 0.04 0.23 -0.12 -0.04 0.23 0.00 0.00 176.35 176.69 1ook s MET 106 N -1.83 1.69 -0.27 1.70 -1.94 0.12 -0.42 119.30 118.35 1ook s MET 106 Ca 0.20 -0.39 -0.13 0.00 -1.71 0.00 0.00 55.69 53.66 1ook s MET 106 Cb -0.11 -1.45 -0.04 0.00 2.01 0.00 0.00 34.83 35.24 1ook s MET 106 CO 0.12 -0.02 0.27 0.21 -0.01 0.00 0.00 175.02 175.58 1ook s LYS 107 N 0.83 3.99 0.45 2.03 2.47 -0.38 -0.25 119.74 128.88 1ook s LYS 107 Ca -0.11 -0.15 -0.23 0.00 -1.56 0.00 0.00 55.97 53.92 1ook s LYS 107 Cb -0.15 -3.65 -0.08 0.00 -1.46 0.00 0.00 37.83 32.49 1ook s LYS 107 CO 0.02 -0.20 1.11 -0.51 0.16 0.00 0.00 175.35 175.93 1ook s LEU 108 N 1.82 4.01 0.29 5.43 1.43 0.44 -0.02 118.68 132.08 1ook s LEU 108 Ca 0.11 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1ook s LEU 108 Cb -0.16 -4.29 0.43 0.00 0.03 0.00 0.00 46.19 42.21 1ook s LEU 108 CO 0.10 -0.80 1.86 0.50 0.23 0.00 0.00 176.35 178.24 1ook h LYS 109 N 2.07 0.85 -4.77 1.70 3.64 -1.44 -3.41 116.57 115.21 1ook h LYS 109 Ca -0.49 -0.15 -0.32 0.00 -1.27 0.00 0.00 60.65 58.42 1ook h LYS 109 Cb 1.24 -0.14 -0.22 0.00 -0.41 0.00 0.00 32.23 32.69 1ook h LYS 109 CO 0.60 0.72 -0.75 0.15 -2.27 0.00 0.00 179.45 177.90 1ook s LYS 110 N -5.33 0.61 0.55 1.90 1.02 -1.26 -4.95 119.74 112.28 1ook s LYS 110 Ca -0.10 -0.75 -0.20 0.00 0.02 0.00 0.00 55.97 54.94 1ook s LYS 110 Cb 0.16 -0.47 -0.05 0.00 -0.52 0.00 0.00 37.83 36.95 1ook s LYS 110 CO 0.80 0.10 1.20 -2.14 -0.92 0.00 0.00 175.35 174.38 1ook s PRO 111 N -1.44 3.23 0.01 -1.68 0.02 -1.26 -4.87 135.00 129.01 1ook s PRO 111 Ca -0.06 1.80 0.02 0.00 0.02 0.00 0.00 61.00 62.78 1ook s PRO 111 Cb -0.09 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 1ook s PRO 111 CO 0.01 -0.99 -0.01 0.08 -0.33 0.00 0.00 177.00 175.76 1ook s VAL 112 N -1.60 4.07 0.17 3.83 1.01 0.21 -5.02 120.40 123.07 1ook s VAL 112 Ca 0.73 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 1ook s VAL 112 Cb -0.29 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.19 1ook s VAL 112 CO 0.33 0.36 0.73 0.00 0.00 0.00 0.00 175.10 176.53 1ook s ALA 113 N -1.09 3.46 0.69 5.51 0.00 -1.26 -4.76 121.76 124.31 1ook s ALA 113 Ca 0.20 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1ook s ALA 113 Cb -0.11 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1ook s ALA 113 CO 0.10 0.32 1.09 -0.06 0.00 0.00 0.00 175.76 177.21 1ook s PHE 114 N -1.24 3.37 0.00 0.00 0.08 -1.26 -4.90 117.98 114.02 1ook s PHE 114 Ca 0.37 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.49 1ook s PHE 114 Cb -0.21 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 1ook s PHE 114 CO 0.24 -1.11 0.00 -1.13 -0.10 0.00 0.00 175.22 173.12 1ook n SER 115 N -2.97 0.00 0.20 1.36 3.41 -0.23 -4.92 113.62 110.47 1ook n SER 115 Ca 0.07 -0.45 0.07 0.00 -0.26 0.00 0.00 58.87 58.30 1ook n SER 115 Cb 0.57 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.92 1ook n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ook h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.97 -3.17 116.42 118.63 1ook h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ook h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ook h ASP 116 CO 0.00 0.32 -1.31 -1.22 -1.72 0.00 0.00 179.24 175.32 1ook n TYR 117 N -3.57 0.00 -3.93 4.55 4.01 -1.26 -4.73 117.16 112.23 1ook n TYR 117 Ca -0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1ook n TYR 117 Cb 0.46 -0.16 -0.16 0.00 -0.31 0.00 0.00 39.34 39.17 1ook n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ook s ILE 118 N -3.13 1.41 -0.20 -0.72 1.01 -1.20 -4.11 121.20 114.26 1ook s ILE 118 Ca 0.03 -1.03 -0.20 0.00 0.00 0.00 0.00 60.65 59.45 1ook s ILE 118 Cb 0.15 -1.64 0.05 0.00 0.01 0.00 0.00 42.46 41.03 1ook s ILE 118 CO 0.87 -0.02 0.56 -2.28 0.00 0.00 0.00 174.94 174.07 1ook s HIS 119 N 1.47 -0.61 0.49 3.97 2.46 -0.78 -1.07 115.29 121.22 1ook s HIS 119 Ca -0.03 1.47 -0.20 0.00 0.47 0.00 0.00 55.06 56.77 1ook s HIS 119 Cb -0.18 0.21 -0.09 0.00 -0.13 0.00 0.00 32.58 32.40 1ook s HIS 119 CO -0.07 -0.31 1.01 -1.25 -2.47 0.00 0.00 174.74 171.66 1ook s PRO 120 N 0.22 3.87 0.31 2.88 0.04 -1.26 -2.16 135.00 138.90 1ook s PRO 120 Ca -0.01 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.29 1ook s PRO 120 Cb -0.04 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1ook s PRO 120 CO 0.01 -0.35 0.49 0.54 0.04 0.00 0.00 177.00 177.73 1ook s VAL 121 N -2.14 5.15 0.25 -0.36 0.11 -0.66 -4.92 120.40 117.83 1ook s VAL 121 Ca 0.65 -0.55 -0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1ook s VAL 121 Cb -0.14 -3.85 -0.06 0.00 -1.53 0.00 0.00 36.38 30.80 1ook s VAL 121 CO 0.21 -0.47 0.54 0.00 -3.33 0.00 0.00 175.10 172.05 1ook s LEU 123 N -3.14 4.24 0.51 0.00 1.43 -1.26 -0.09 118.68 120.37 1ook s LEU 123 Ca 0.45 0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 53.59 1ook s LEU 123 Cb -0.11 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 1ook s LEU 123 CO 0.25 0.22 1.39 -2.16 0.23 0.00 0.00 176.35 176.28 1ook s PRO 124 N 0.14 3.33 0.43 1.29 0.04 -1.26 -4.94 135.00 134.03 1ook s PRO 124 Ca 0.09 2.33 0.08 0.00 0.04 0.00 0.00 61.00 63.54 1ook s PRO 124 Cb -0.11 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1ook s PRO 124 CO -0.01 -1.07 0.45 0.16 0.04 0.00 0.00 177.00 176.58 1ook s ASP 125 N -0.76 5.23 0.14 6.66 -4.77 -1.26 -4.91 116.67 117.00 1ook s ASP 125 Ca 0.68 -0.66 -0.31 0.00 -3.30 0.00 0.00 52.55 48.95 1ook s ASP 125 Cb -0.42 -0.54 -0.09 0.00 -1.09 0.00 0.00 42.92 40.78 1ook s ASP 125 CO 0.52 -0.72 1.52 -0.09 0.70 0.00 0.00 175.17 177.10 1ook h ARG 126 N 0.87 -0.18 -0.65 2.11 2.43 -1.99 -1.83 114.38 115.14 1ook h ARG 126 Ca -0.40 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1ook h ARG 126 Cb 1.27 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1ook h ARG 126 CO 0.53 -0.12 0.41 0.93 -1.51 0.00 0.00 179.97 180.21 1ook h GLU 127 N -0.18 0.87 -0.13 0.20 3.07 -2.04 -1.56 114.58 114.81 1ook h GLU 127 Ca 0.11 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1ook h GLU 127 Cb 0.48 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1ook h GLU 127 CO -0.75 0.60 0.00 2.41 -1.40 0.00 0.00 179.01 179.87 1ook n THR 128 N -4.60 0.00 0.00 1.13 -1.04 -0.69 -0.77 114.28 108.31 1ook n THR 128 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1ook n THR 128 Cb 0.04 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1ook n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ook n ALA 129 N 0.45 0.00 0.04 2.41 0.00 -0.59 -0.83 120.51 122.00 1ook n ALA 129 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1ook n ALA 129 Cb 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 1ook n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ook h SER 129 N 0.00 0.45 0.79 0.00 0.87 -1.19 -3.39 113.55 111.07 1ook h SER 129 Ca 0.00 -0.94 -0.24 0.00 -1.23 0.00 0.00 61.79 59.38 1ook h SER 129 Cb 0.00 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 1ook h SER 129 CO 0.00 1.42 -1.30 -0.07 -0.53 0.00 0.00 176.83 176.35 1ook h LEU 129 N -0.37 0.00 -7.67 2.23 4.07 -1.22 -3.42 115.31 108.93 1ook h LEU 129 Ca -0.16 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.17 1ook h LEU 129 Cb 1.65 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.33 1ook h LEU 129 CO 0.14 0.97 2.12 0.18 -1.08 0.00 0.00 178.44 180.77 1ook n LEU 130 N -3.20 4.81 -4.01 1.67 4.77 -1.26 -4.86 117.00 114.91 1ook n LEU 130 Ca -0.07 -3.80 -0.18 0.00 -0.03 0.00 0.00 56.01 51.93 1ook n LEU 130 Cb 0.98 -1.73 -0.14 0.00 -2.33 0.00 0.00 43.42 40.20 1ook n LEU 130 CO 0.46 -0.09 -0.42 -1.10 -1.33 0.00 0.00 177.39 174.91 1ook s GLN 131 N 4.51 0.65 0.47 3.23 -1.52 -1.26 -4.95 119.66 120.79 1ook s GLN 131 Ca 0.56 -0.31 -0.23 0.00 -1.95 0.00 0.00 55.36 53.43 1ook s GLN 131 Cb 0.04 -0.62 -0.08 0.00 -0.22 0.00 0.00 33.01 32.13 1ook s GLN 131 CO 0.07 0.17 1.10 0.00 -0.25 0.00 0.00 175.29 176.39 1ook n ALA 132 N 2.81 0.63 0.00 6.09 0.00 -1.26 -1.64 120.51 127.14 1ook n ALA 132 Ca -0.14 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ook n ALA 132 Cb 0.57 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1ook n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ook n GLY 133 N 1.06 2.44 3.75 0.00 0.00 -0.38 -4.91 105.19 107.14 1ook n GLY 133 Ca 0.10 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1ook n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ook s TYR 134 N -0.75 3.03 -0.03 1.61 1.51 -0.65 -4.57 117.35 117.51 1ook s TYR 134 Ca 0.00 1.06 -0.14 0.00 -1.01 0.00 0.00 57.07 56.98 1ook s TYR 134 Cb 0.00 -3.80 -0.05 0.00 -0.11 0.00 0.00 41.96 37.99 1ook s TYR 134 CO 0.00 -2.59 0.37 0.15 -1.11 0.00 0.00 175.55 172.37 1ook s LYS 135 N -0.44 3.90 0.33 -0.62 1.02 -1.26 -0.75 119.74 121.91 1ook s LYS 135 Ca 0.59 0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.92 1ook s LYS 135 Cb -0.41 -3.24 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 1ook s LYS 135 CO 0.44 0.66 0.09 0.41 -0.92 0.00 0.00 175.35 176.02 1ook n GLY 136 N 1.98 3.48 2.99 -3.33 0.00 0.46 -4.84 105.19 105.93 1ook n GLY 136 Ca -0.14 -2.29 -0.20 0.00 0.00 0.00 0.00 46.02 43.39 1ook n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ook s ARG 137 N -3.25 0.91 -0.02 1.61 3.52 0.16 -1.21 118.95 120.67 1ook s ARG 137 Ca 0.07 -0.28 0.07 0.00 -0.13 0.00 0.00 55.73 55.45 1ook s ARG 137 Cb -0.01 -0.86 -0.02 0.00 -1.56 0.00 0.00 34.95 32.51 1ook s ARG 137 CO 0.04 0.10 -0.22 0.08 -0.81 0.00 0.00 175.30 174.49 1ook s VAL 138 N 0.21 1.75 0.10 7.11 1.01 -0.35 0.16 120.40 130.39 1ook s VAL 138 Ca -0.03 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1ook s VAL 138 Cb -0.08 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1ook s VAL 138 CO 0.00 0.50 -0.12 0.42 0.00 0.00 0.00 175.10 175.90 1ook s THR 139 N -0.46 1.08 0.00 3.92 -4.23 -1.23 -1.72 115.64 112.99 1ook s THR 139 Ca 0.07 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1ook s THR 139 Cb -0.09 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1ook s THR 139 CO -0.00 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1ook n GLY 140 N 0.78 1.25 1.27 3.99 0.00 -0.58 -4.46 105.19 107.43 1ook n GLY 140 Ca -0.17 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.08 1ook n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ook n TRP 141 N -0.37 1.38 -1.31 1.61 8.01 -1.26 -1.60 117.44 123.90 1ook n TRP 141 Ca 0.00 -0.87 -0.19 0.00 -1.31 0.00 0.00 57.50 55.13 1ook n TRP 141 Cb 0.00 -0.40 0.14 0.00 -2.01 0.00 0.00 31.31 29.04 1ook n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ook n GLY 142 N -0.16 -1.86 3.66 6.99 0.00 -1.25 -4.65 105.19 107.92 1ook n GLY 142 Ca 0.25 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1ook n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ook n ASN 143 N -3.80 1.91 -0.39 1.61 3.02 0.24 -2.98 115.26 114.86 1ook n ASN 143 Ca 0.10 1.03 0.13 0.00 -0.03 0.00 0.00 54.58 55.81 1ook n ASN 143 Cb 0.37 -1.45 0.36 0.00 -0.61 0.00 0.00 39.78 38.46 1ook n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ook n LEU 144 N 0.04 1.40 -3.85 3.41 4.77 0.23 -1.53 117.00 121.46 1ook n LEU 144 Ca 0.09 -0.43 -0.05 0.00 -0.03 0.00 0.00 56.01 55.59 1ook n LEU 144 Cb 0.41 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1ook n LEU 144 CO 0.56 0.25 0.72 -1.59 -1.33 0.00 0.00 177.39 176.01 1ook s LYS 145 N -2.32 1.56 -0.22 3.23 -2.85 -1.26 -4.57 119.74 113.30 1ook s LYS 145 Ca 0.28 -0.99 -0.29 0.00 -1.00 0.00 0.00 55.97 53.97 1ook s LYS 145 Cb 0.20 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.41 1ook s LYS 145 CO 0.46 -0.73 1.15 -1.21 0.10 0.00 0.00 175.35 175.12 1ook s GLU 146 N -2.35 4.20 0.00 1.78 2.02 -1.26 -4.88 118.70 118.21 1ook s GLU 146 Ca 0.19 1.44 0.23 0.00 0.02 0.00 0.00 54.97 56.85 1ook s GLU 146 Cb -0.03 -3.72 0.12 0.00 0.10 0.00 0.00 34.13 30.60 1ook s GLU 146 CO 0.07 -0.73 1.16 0.25 0.02 0.00 0.00 175.26 176.03 1ook n THR 147 N 5.47 0.00 1.91 3.63 -2.24 -1.26 -4.18 114.28 117.61 1ook n THR 147 Ca 0.13 -0.16 0.16 0.00 -2.27 0.00 0.00 64.05 61.91 1ook n THR 147 Cb 0.46 0.97 0.91 0.00 -2.10 0.00 0.00 70.33 70.57 1ook n THR 147 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1ook n TRP 148 N -0.56 0.00 -3.79 4.78 4.27 -1.26 -4.76 117.44 116.12 1ook n TRP 148 Ca 0.08 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.57 1ook n TRP 148 Cb 0.41 -0.03 -0.10 0.00 -1.36 0.00 0.00 31.31 30.22 1ook n TRP 148 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1ook s THR 149 N -2.06 0.03 0.05 -1.67 -1.32 -1.26 -5.12 115.64 104.28 1ook s THR 149 Ca 0.45 -0.21 -0.38 0.00 -1.21 0.00 0.00 61.69 60.35 1ook s THR 149 Cb 0.22 -0.45 -0.18 0.00 -1.51 0.00 0.00 72.50 70.58 1ook s THR 149 CO 0.38 -0.11 1.26 0.00 -2.21 0.00 0.00 174.62 173.94 1ook n ALA 149 N 2.33 -1.80 -3.52 11.08 0.00 -1.26 -4.89 120.51 122.44 1ook n ALA 149 Ca -0.16 0.54 -0.18 0.00 0.00 0.00 0.00 53.44 53.64 1ook n ALA 149 Cb 0.57 -1.98 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 1ook n ALA 149 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ook s ASN 149 N 0.40 -0.66 0.48 0.00 0.01 -1.26 -5.10 114.94 108.80 1ook s ASN 149 Ca 0.87 0.77 -0.20 0.00 -0.71 0.00 0.00 52.86 53.59 1ook s ASN 149 Cb -1.06 0.61 -0.09 0.00 0.41 0.00 0.00 41.25 41.12 1ook s ASN 149 CO 0.50 -0.58 1.02 0.68 -1.51 0.00 0.00 177.10 177.21 1ook s VAL 149 N -1.07 3.96 0.00 1.60 -7.23 -1.26 -4.94 120.40 111.47 1ook s VAL 149 Ca -0.10 1.20 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 1ook s VAL 149 Cb -0.00 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1ook s VAL 149 CO 0.09 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1ook n GLY 149 N -0.43 1.93 3.78 2.32 0.00 -1.26 -5.02 105.19 106.51 1ook n GLY 149 Ca 0.09 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1ook n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ook s LYS 149 N -2.57 3.32 -0.08 1.61 -0.14 -1.26 -4.99 119.74 115.62 1ook s LYS 149 Ca 0.00 1.50 -0.25 0.00 -1.36 0.00 0.00 55.97 55.86 1ook s LYS 149 Cb 0.00 -2.01 -0.29 0.00 -1.68 0.00 0.00 37.83 33.85 1ook s LYS 149 CO 0.00 -0.86 0.85 0.78 -0.76 0.00 0.00 175.35 175.36 1ook h GLY 150 N 0.98 0.21 -3.44 -3.33 0.00 -1.96 -3.41 103.07 92.12 1ook h GLY 150 Ca -0.49 -0.55 -0.41 0.00 0.00 0.00 0.00 47.33 45.88 1ook h GLY 150 CO 0.57 0.48 -0.75 -0.86 0.00 0.00 0.00 176.54 175.97 1ook s GLN 151 N -2.35 1.06 0.68 4.80 0.00 -1.26 0.75 119.66 123.33 1ook s GLN 151 Ca -0.16 -1.29 -0.11 0.00 -0.00 0.00 0.00 55.36 53.80 1ook s GLN 151 Cb -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 33.01 32.10 1ook s GLN 151 CO 0.78 0.17 1.06 -1.25 0.00 0.00 0.00 175.29 176.04 1ook s PRO 152 N -2.86 3.00 0.03 9.60 0.04 -1.26 -4.94 135.00 138.61 1ook s PRO 152 Ca 0.11 0.45 0.23 0.00 0.04 0.00 0.00 61.00 61.83 1ook s PRO 152 Cb -0.04 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1ook s PRO 152 CO 0.03 -0.91 0.95 -1.13 0.04 0.00 0.00 177.00 175.99 1ook n SER 153 N -2.91 0.60 -4.09 6.66 3.41 -1.26 -4.68 113.62 111.35 1ook n SER 153 Ca 0.06 -0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.24 1ook n SER 153 Cb 0.57 0.94 -0.11 0.00 -0.26 0.00 0.00 64.21 65.35 1ook n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ook s VAL 154 N -3.20 0.64 0.24 -3.33 1.01 -1.26 -0.80 120.40 113.70 1ook s VAL 154 Ca 0.03 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 1ook s VAL 154 Cb 0.15 -0.85 -0.14 0.00 0.00 0.00 0.00 36.38 35.53 1ook s VAL 154 CO 0.82 -0.45 1.14 -0.11 0.00 0.00 0.00 175.10 176.51 1ook n LEU 155 N 1.18 2.00 -4.73 3.92 7.94 0.32 -4.85 117.00 122.79 1ook n LEU 155 Ca -0.21 1.16 -0.27 0.00 -1.11 0.00 0.00 56.01 55.58 1ook n LEU 155 Cb 0.56 -1.30 -0.07 0.00 0.53 0.00 0.00 43.42 43.14 1ook n LEU 155 CO 0.22 -1.17 -0.28 -1.10 -1.11 0.00 0.00 177.39 173.95 1ook s GLN 156 N -0.95 2.65 0.01 1.96 -1.52 -0.63 -1.19 119.66 119.99 1ook s GLN 156 Ca 0.65 -0.95 0.00 0.00 -1.95 0.00 0.00 55.36 53.12 1ook s GLN 156 Cb -0.74 -2.52 -0.01 0.00 -0.22 0.00 0.00 33.01 29.52 1ook s GLN 156 CO 0.56 0.49 -0.02 0.08 -0.25 0.00 0.00 175.29 176.14 1ook s VAL 157 N -1.65 0.12 -0.18 1.09 1.01 0.14 -1.53 120.40 119.40 1ook s VAL 157 Ca 0.29 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1ook s VAL 157 Cb -0.10 -0.19 0.05 0.00 0.00 0.00 0.00 36.38 36.13 1ook s VAL 157 CO 0.21 -0.24 0.47 0.54 0.00 0.00 0.00 175.10 176.07 1ook s VAL 158 N -0.76 -0.00 -0.20 2.92 0.11 -0.70 -0.89 120.40 120.87 1ook s VAL 158 Ca -0.08 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.89 1ook s VAL 158 Cb -0.05 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1ook s VAL 158 CO -0.00 0.00 0.08 0.20 -3.33 0.00 0.00 175.10 172.05 1ook s ASN 159 N 0.29 5.71 0.03 3.54 0.01 -1.26 -1.21 114.94 122.05 1ook s ASN 159 Ca -0.00 0.07 0.04 0.00 -0.71 0.00 0.00 52.86 52.25 1ook s ASN 159 Cb -0.03 -1.99 -0.02 0.00 0.41 0.00 0.00 41.25 39.61 1ook s ASN 159 CO 0.00 0.14 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.86 1ook s LEU 160 N 0.61 2.16 0.29 0.60 1.43 -0.35 -4.93 118.68 118.49 1ook s LEU 160 Ca 0.04 -0.40 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 1ook s LEU 160 Cb -0.13 -0.43 -0.09 0.00 0.03 0.00 0.00 46.19 45.57 1ook s LEU 160 CO 0.01 -0.02 0.96 -2.84 0.23 0.00 0.00 176.35 174.70 1ook s PRO 161 N -1.03 4.69 0.38 1.29 0.02 -1.26 -0.40 135.00 138.68 1ook s PRO 161 Ca -0.01 1.46 -0.26 0.00 0.02 0.00 0.00 61.00 62.21 1ook s PRO 161 Cb -0.07 -3.04 -0.09 0.00 0.02 0.00 0.00 34.50 31.32 1ook s PRO 161 CO 0.01 0.36 1.12 0.42 -0.33 0.00 0.00 177.00 178.58 1ook s ILE 162 N -1.38 3.37 -0.03 2.83 1.01 0.07 -1.08 121.20 125.99 1ook s ILE 162 Ca 0.46 1.16 0.02 0.00 0.00 0.00 0.00 60.65 62.29 1ook s ILE 162 Cb -0.23 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1ook s ILE 162 CO 0.29 0.11 -0.08 -0.69 0.00 0.00 0.00 174.94 174.57 1ook s VAL 163 N -1.44 3.57 0.32 2.92 1.01 -0.06 -1.25 120.40 125.46 1ook s VAL 163 Ca 0.55 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1ook s VAL 163 Cb -0.28 -2.49 -0.10 0.00 0.00 0.00 0.00 36.38 33.50 1ook s VAL 163 CO 0.36 0.50 1.40 -1.83 0.00 0.00 0.00 175.10 175.53 1ook s GLU 164 N -1.08 4.26 0.24 2.72 1.03 -1.26 -4.56 118.70 120.04 1ook s GLU 164 Ca 0.14 2.35 -0.12 0.00 0.03 0.00 0.00 54.97 57.37 1ook s GLU 164 Cb -0.11 -3.05 0.32 0.00 -0.80 0.00 0.00 34.13 30.48 1ook s GLU 164 CO 0.04 -0.36 1.60 0.00 -1.33 0.00 0.00 175.26 175.21 1ook h ARG 165 N 3.83 -0.01 -0.71 -4.83 3.08 -1.98 -1.43 114.38 112.32 1ook h ARG 165 Ca -0.48 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.67 1ook h ARG 165 Cb 1.23 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.20 1ook h ARG 165 CO 0.69 -0.00 0.32 -1.35 -1.07 0.00 0.00 179.97 178.56 1ook h PRO 166 N -0.01 0.51 -0.60 0.04 0.11 -1.99 0.25 132.00 130.31 1ook h PRO 166 Ca 0.37 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.35 1ook h PRO 166 Cb 0.57 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1ook h PRO 166 CO -0.80 0.34 -0.00 0.28 -0.21 0.00 0.00 178.00 177.60 1ook h VAL 167 N 0.52 1.27 -0.17 3.15 2.07 -1.66 -2.03 116.25 119.39 1ook h VAL 167 Ca 0.37 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1ook h VAL 167 Cb 0.46 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1ook h VAL 167 CO -0.32 0.42 0.08 0.00 0.02 0.00 0.00 177.57 177.77 1ook h LYS 169 N 0.15 0.63 -0.18 0.00 3.64 -0.37 -2.70 116.57 117.75 1ook h LYS 169 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ook h LYS 169 Cb 0.13 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1ook h LYS 169 CO -0.01 0.42 0.00 -0.25 -2.27 0.00 0.00 179.45 177.34 1ook n ASP 170 N -4.79 0.88 -0.27 4.20 8.00 -0.78 -3.29 116.55 120.50 1ook n ASP 170 Ca 0.06 -2.00 0.09 0.00 0.71 0.00 0.00 54.79 53.64 1ook n ASP 170 Cb 0.11 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 1ook n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ook n SER 171 N -0.03 1.49 -3.89 -2.24 3.41 -1.02 -4.98 113.62 106.36 1ook n SER 171 Ca 0.05 -1.24 -0.10 0.00 -0.26 0.00 0.00 58.87 57.32 1ook n SER 171 Cb 0.14 0.67 -0.09 0.00 -0.26 0.00 0.00 64.21 64.68 1ook n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ook s THR 172 N -2.43 0.12 -0.99 6.66 -1.32 -1.21 -4.83 115.64 111.64 1ook s THR 172 Ca 0.13 -0.97 0.25 0.00 -1.21 0.00 0.00 61.69 59.88 1ook s THR 172 Cb 0.15 -0.84 -0.01 0.00 -1.51 0.00 0.00 72.50 70.30 1ook s THR 172 CO 0.60 -0.54 1.38 0.54 -2.21 0.00 0.00 174.62 174.40 1ook n ARG 173 N 0.83 0.01 -2.61 7.08 3.00 -1.26 -4.87 116.66 118.83 1ook n ARG 173 Ca -0.19 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.24 1ook n ARG 173 Cb 0.58 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.49 1ook n ARG 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1ook s ILE 174 N -3.00 3.88 -0.16 0.55 1.01 -1.26 -4.98 121.20 117.23 1ook s ILE 174 Ca 0.11 1.80 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 1ook s ILE 174 Cb 0.17 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1ook s ILE 174 CO 0.71 0.39 1.36 -0.60 0.00 0.00 0.00 174.94 176.80 1ook s ARG 175 N -0.99 4.16 0.37 2.79 3.52 -1.26 -5.03 118.95 122.52 1ook s ARG 175 Ca 0.44 1.72 -0.06 0.00 -0.13 0.00 0.00 55.73 57.70 1ook s ARG 175 Cb -0.28 -3.83 -0.05 0.00 -1.56 0.00 0.00 34.95 29.22 1ook s ARG 175 CO 0.35 -0.81 0.68 0.42 -0.81 0.00 0.00 175.30 175.13 1ook s ILE 176 N 3.79 4.92 0.38 4.11 -1.09 -1.26 -4.82 121.20 127.24 1ook s ILE 176 Ca 0.59 0.24 0.03 0.00 -2.23 0.00 0.00 60.65 59.28 1ook s ILE 176 Cb -0.24 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1ook s ILE 176 CO 0.19 -0.52 0.09 0.42 -1.23 0.00 0.00 174.94 173.89 1ook s THR 177 N -2.34 0.86 -0.57 2.92 -4.23 -1.26 -5.01 115.64 106.01 1ook s THR 177 Ca 0.47 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.22 1ook s THR 177 Cb -0.10 -2.51 0.25 0.00 1.34 0.00 0.00 72.50 71.47 1ook s THR 177 CO 0.34 0.00 1.72 0.47 -0.54 0.00 0.00 174.62 176.61 1ook n ASP 178 N -1.05 0.66 -0.60 3.99 8.00 -1.26 -2.93 116.55 123.37 1ook n ASP 178 Ca -0.05 0.64 0.02 0.00 0.71 0.00 0.00 54.79 56.10 1ook n ASP 178 Cb 0.66 -0.79 0.07 0.00 -0.02 0.00 0.00 41.12 41.04 1ook n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ook n ASN 179 N -2.20 1.51 -3.83 -2.24 3.02 -1.26 -4.84 115.26 105.42 1ook n ASN 179 Ca 0.03 -2.12 -0.09 0.00 -0.03 0.00 0.00 54.58 52.37 1ook n ASN 179 Cb 0.28 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 39.00 1ook n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ook s MET 180 N -1.48 1.31 0.19 3.52 0.23 -1.15 -1.30 119.30 120.62 1ook s MET 180 Ca 0.10 -0.99 -0.11 0.00 -1.03 0.00 0.00 55.69 53.66 1ook s MET 180 Cb 0.07 0.47 -0.00 0.00 -1.53 0.00 0.00 34.83 33.83 1ook s MET 180 CO 0.04 -0.53 0.37 -0.59 -2.03 0.00 0.00 175.02 172.28 1ook s PHE 181 N -3.91 0.31 0.16 3.16 -0.12 -0.54 -4.79 117.98 112.24 1ook s PHE 181 Ca 0.12 -0.66 0.06 0.00 -0.05 0.00 0.00 56.93 56.40 1ook s PHE 181 Cb 0.00 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 1ook s PHE 181 CO -0.01 -0.81 -0.14 0.00 -0.05 0.00 0.00 175.22 174.21 1ook s ALA 183 N -2.70 -0.30 0.00 0.00 0.00 -0.66 -0.88 121.76 117.22 1ook s ALA 183 Ca 0.16 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1ook s ALA 183 Cb -0.02 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.72 1ook s ALA 183 CO 0.04 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1ook n GLY 184 N -0.13 4.18 3.74 0.00 0.00 -0.24 -2.40 105.19 110.34 1ook n GLY 184 Ca -0.13 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1ook n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ook s TYR 184 N -2.00 3.87 0.73 1.61 2.02 -1.26 -4.53 117.35 117.79 1ook s TYR 184 Ca 0.00 1.83 -0.11 0.00 -0.37 0.00 0.00 57.07 58.42 1ook s TYR 184 Cb 0.00 -3.02 0.03 0.00 -0.40 0.00 0.00 41.96 38.57 1ook s TYR 184 CO 0.00 0.29 1.09 0.15 -1.57 0.00 0.00 175.55 175.51 1ook s LYS 185 N -0.39 2.53 0.56 -0.62 1.02 -1.26 -4.82 119.74 116.75 1ook s LYS 185 Ca 0.45 1.15 0.31 0.00 0.02 0.00 0.00 55.97 57.90 1ook s LYS 185 Cb -0.24 -1.93 1.47 0.00 -0.52 0.00 0.00 37.83 36.60 1ook s LYS 185 CO 0.30 -1.43 1.86 -1.35 -0.92 0.00 0.00 175.35 173.81 1ook h PRO 186 N -0.81 0.00 -0.66 -1.68 0.11 -1.96 -1.33 132.00 125.66 1ook h PRO 186 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ook h PRO 186 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ook h PRO 186 CO 0.53 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 1ook n ASP 186 N -4.04 4.76 -0.01 -2.05 5.75 -1.26 -4.37 116.55 115.32 1ook n ASP 186 Ca 0.16 -2.44 0.09 0.00 -0.01 0.00 0.00 54.79 52.58 1ook n ASP 186 Cb 0.92 -0.58 -0.15 0.00 -1.03 0.00 0.00 41.12 40.27 1ook n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ook n GLU 186 N 1.14 0.61 0.00 0.11 1.02 -0.50 -5.03 120.64 117.98 1ook n GLU 186 Ca 0.26 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1ook n GLU 186 Cb 0.89 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 1ook n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ook n GLY 186 N 1.43 2.30 3.72 0.62 0.00 -1.26 -5.01 105.19 106.99 1ook n GLY 186 Ca -0.05 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1ook n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ook s LYS 186 N 0.00 1.86 0.22 1.61 1.02 -1.26 -5.05 119.74 118.13 1ook s LYS 186 Ca 0.00 1.51 0.01 0.00 0.02 0.00 0.00 55.97 57.51 1ook s LYS 186 Cb 0.00 -1.82 -0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1ook s LYS 186 CO 0.00 -2.00 0.03 0.54 -0.92 0.00 0.00 175.35 173.00 1ook n ARG 187 N -3.39 1.13 0.00 1.68 1.74 -1.26 -4.68 116.66 111.89 1ook n ARG 187 Ca 0.12 -1.67 0.00 0.00 -0.77 0.00 0.00 57.85 55.52 1ook n ARG 187 Cb 0.52 0.65 0.00 0.00 -1.02 0.00 0.00 32.46 32.60 1ook n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ook n GLY 188 N 1.59 4.55 3.62 -0.13 0.00 -1.26 -4.90 105.19 108.67 1ook n GLY 188 Ca -0.07 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 1ook n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ook s ASP 189 N 0.00 -0.18 0.91 1.61 2.15 -1.03 -4.63 116.67 115.50 1ook s ASP 189 Ca 0.00 -0.14 -0.10 0.00 0.43 0.00 0.00 52.55 52.74 1ook s ASP 189 Cb 0.00 0.29 0.19 0.00 -0.30 0.00 0.00 42.92 43.10 1ook s ASP 189 CO 0.00 -0.51 1.15 0.00 -0.17 0.00 0.00 175.17 175.64 1ook n ALA 190 N -0.33 -0.89 -3.52 3.66 0.00 -1.26 -0.76 120.51 117.41 1ook n ALA 190 Ca -0.06 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.68 1ook n ALA 190 Cb 0.61 0.05 0.02 0.00 0.00 0.00 0.00 19.45 20.13 1ook n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ook n GLU 192 N -0.36 1.38 0.00 0.00 -0.58 -1.26 -1.43 120.64 118.39 1ook n GLU 192 Ca -0.05 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1ook n GLU 192 Cb 0.38 -2.31 0.00 0.00 -0.57 0.00 0.00 31.44 28.94 1ook n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ook n GLY 193 N 1.03 2.52 0.09 0.62 0.00 -1.26 -0.60 105.19 107.59 1ook n GLY 193 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1ook n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ook n ASP 194 N 0.00 0.86 -4.67 1.61 8.00 -0.52 -3.91 116.55 117.93 1ook n ASP 194 Ca 0.00 -0.68 -0.39 0.00 0.71 0.00 0.00 54.79 54.43 1ook n ASP 194 Cb 0.00 0.45 0.03 0.00 -0.02 0.00 0.00 41.12 41.59 1ook n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ook n SER 195 N -1.22 1.75 0.00 -2.24 7.64 -1.26 -1.61 113.62 116.67 1ook n SER 195 Ca 0.07 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1ook n SER 195 Cb 0.35 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 1ook n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ook n GLY 196 N 1.03 2.90 3.65 0.23 0.00 -0.92 0.44 105.19 112.53 1ook n GLY 196 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1ook n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ook n GLY 197 N -0.30 -0.17 3.89 -0.02 0.00 -0.63 -3.09 105.19 104.87 1ook n GLY 197 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 1ook n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ook s PRO 198 N -3.58 3.62 -0.32 1.61 0.04 -1.26 -0.94 135.00 134.18 1ook s PRO 198 Ca 0.75 -0.08 -0.07 0.00 0.04 0.00 0.00 61.00 61.63 1ook s PRO 198 Cb -0.33 -2.88 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1ook s PRO 198 CO 0.49 0.49 0.11 0.12 0.04 0.00 0.00 177.00 178.25 1ook s PHE 199 N -1.61 3.20 0.21 0.56 2.19 -0.46 -3.53 117.98 118.54 1ook s PHE 199 Ca 0.39 -1.11 0.11 0.00 0.33 0.00 0.00 56.93 56.65 1ook s PHE 199 Cb -0.12 -2.29 -0.04 0.00 -1.31 0.00 0.00 43.02 39.25 1ook s PHE 199 CO 0.24 -0.64 -0.18 0.14 1.83 0.00 0.00 175.22 176.61 1ook s VAL 200 N 1.48 2.66 0.02 3.12 -7.23 0.12 -1.12 120.40 119.45 1ook s VAL 200 Ca 0.01 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1ook s VAL 200 Cb -0.18 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 1ook s VAL 200 CO 0.03 -0.17 -0.05 -0.04 -0.31 0.00 0.00 175.10 174.56 1ook s MET 201 N -2.89 0.41 -0.18 4.82 -1.94 -0.36 0.39 119.30 119.55 1ook s MET 201 Ca 0.24 -0.42 -0.15 0.00 -1.71 0.00 0.00 55.69 53.64 1ook s MET 201 Cb -0.08 -0.27 -0.04 0.00 2.01 0.00 0.00 34.83 36.45 1ook s MET 201 CO 0.13 0.06 0.37 0.21 -0.01 0.00 0.00 175.02 175.78 1ook s LYS 202 N -0.78 4.22 -0.27 2.03 2.20 -1.26 -0.94 119.74 124.94 1ook s LYS 202 Ca -0.04 0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 55.47 1ook s LYS 202 Cb -0.06 -3.49 -0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1ook s LYS 202 CO -0.00 0.08 1.28 0.45 -0.36 0.00 0.00 175.35 176.80 1ook s SER 203 N 0.81 6.74 0.30 1.43 0.15 0.01 -4.88 113.70 118.28 1ook s SER 203 Ca 0.19 1.31 0.23 0.00 0.70 0.00 0.00 55.95 58.38 1ook s SER 203 Cb -0.14 -2.54 1.12 0.00 -1.71 0.00 0.00 66.02 62.74 1ook s SER 203 CO 0.07 -1.00 1.69 -2.65 1.20 0.00 0.00 173.24 172.55 1ook n PRO 204 N 7.13 0.16 -0.01 5.44 -0.02 -1.26 -0.41 135.00 146.03 1ook n PRO 204 Ca 0.14 0.56 -0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1ook n PRO 204 Cb 0.46 -1.94 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1ook n PRO 204 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1ook h PHE 204 N 0.00 -0.01 -0.25 6.00 0.04 -1.96 -3.40 116.94 117.35 1ook h PHE 204 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ook h PHE 204 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1ook h PHE 204 CO 0.00 -0.00 0.00 0.27 -0.60 0.00 0.00 178.31 177.98 1ook n ASN 204 N -2.92 3.28 -0.60 2.17 0.23 -1.21 -4.97 115.26 111.23 1ook n ASN 204 Ca -0.00 -1.99 -0.08 0.00 -0.53 0.00 0.00 54.58 51.98 1ook n ASN 204 Cb 0.00 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 37.51 1ook n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1ook n ASN 205 N 1.43 -4.62 -4.93 0.53 4.05 0.45 -5.00 115.26 107.17 1ook n ASN 205 Ca 0.17 0.19 -0.27 0.00 0.45 0.00 0.00 54.58 55.13 1ook n ASN 205 Cb 0.60 -2.81 -0.03 0.00 1.23 0.00 0.00 39.78 38.77 1ook n ASN 205 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1ook s ARG 206 N -2.36 3.51 -0.15 1.20 0.52 -1.25 -4.81 118.95 115.61 1ook s ARG 206 Ca 0.00 -0.38 -0.14 0.00 -0.52 0.00 0.00 55.73 54.69 1ook s ARG 206 Cb 0.00 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 1ook s ARG 206 CO 0.00 0.39 0.30 -1.58 0.02 0.00 0.00 175.30 174.43 1ook s TRP 207 N -1.91 3.48 0.04 -0.53 0.52 -1.26 -0.81 118.94 118.48 1ook s TRP 207 Ca 0.38 0.63 0.09 0.00 0.02 0.00 0.00 56.10 57.22 1ook s TRP 207 Cb -0.11 -2.33 -0.03 0.00 -1.15 0.00 0.00 33.47 29.85 1ook s TRP 207 CO 0.30 0.28 -0.26 0.71 0.02 0.00 0.00 176.95 178.00 1ook s TYR 208 N 0.32 2.33 -0.45 -1.98 1.51 -0.12 -1.90 117.35 117.07 1ook s TYR 208 Ca 0.17 -0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.63 1ook s TYR 208 Cb -0.13 -1.40 0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1ook s TYR 208 CO 0.05 0.13 0.61 -1.14 -1.11 0.00 0.00 175.55 174.08 1ook s GLN 209 N -1.22 3.22 -0.04 -0.62 0.74 0.87 -1.22 119.66 121.39 1ook s GLN 209 Ca 0.12 -0.53 0.07 0.00 0.05 0.00 0.00 55.36 55.07 1ook s GLN 209 Cb -0.10 -3.98 -0.24 0.00 1.10 0.00 0.00 33.01 29.79 1ook s GLN 209 CO 0.02 -1.03 0.67 0.52 -0.55 0.00 0.00 175.29 174.92 1ook h MET 210 N 8.88 0.07 -4.76 1.67 2.86 -1.44 -3.39 114.93 118.83 1ook h MET 210 Ca -0.26 -0.13 -0.36 0.00 -2.06 0.00 0.00 59.70 56.89 1ook h MET 210 Cb 1.10 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 32.66 1ook h MET 210 CO 0.89 0.72 -0.55 0.20 1.06 0.00 0.00 176.91 179.24 1ook s GLY 211 N -5.15 1.92 -0.08 8.32 0.00 -0.70 -2.21 107.32 109.42 1ook s GLY 211 Ca -0.08 -1.90 0.01 0.00 0.00 0.00 0.00 44.72 42.75 1ook s GLY 211 CO 0.82 -1.44 -0.07 -0.42 0.00 0.00 0.00 173.10 171.98 1ook s ILE 212 N -3.78 0.87 -0.07 0.90 1.01 -1.06 -1.35 121.20 117.72 1ook s ILE 212 Ca 0.40 -0.25 -0.35 0.00 0.00 0.00 0.00 60.65 60.44 1ook s ILE 212 Cb 0.05 -0.87 -0.13 0.00 0.01 0.00 0.00 42.46 41.51 1ook s ILE 212 CO 0.20 0.32 1.79 0.52 0.00 0.00 0.00 174.94 177.78 1ook n VAL 213 N 4.45 0.43 0.02 2.92 0.31 -0.11 -0.90 118.33 125.46 1ook n VAL 213 Ca -0.17 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 1ook n VAL 213 Cb 0.51 -1.68 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1ook n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ook n SER 214 N 5.80 1.03 -3.18 4.52 2.88 -0.71 -2.16 113.62 121.80 1ook n SER 214 Ca 0.22 0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.82 1ook n SER 214 Cb 0.26 -0.33 0.01 0.00 -0.75 0.00 0.00 64.21 63.40 1ook n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ook s TRP 215 N -2.11 0.04 0.01 0.66 1.48 -0.90 -4.94 118.94 113.18 1ook s TRP 215 Ca -0.04 -0.65 -0.18 0.00 -1.06 0.00 0.00 56.10 54.17 1ook s TRP 215 Cb 0.01 0.80 0.06 0.00 -1.16 0.00 0.00 33.47 33.18 1ook s TRP 215 CO 0.06 -1.45 0.84 0.41 -4.06 0.00 0.00 176.95 172.74 1ook n GLY 216 N -0.52 0.43 2.76 3.67 0.00 -1.26 0.08 105.19 110.36 1ook n GLY 216 Ca -0.07 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1ook n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ook s GLU 217 N -2.01 0.81 0.98 1.61 2.02 -1.26 -5.04 118.70 115.81 1ook s GLU 217 Ca 0.20 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1ook s GLU 217 Cb -0.01 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1ook s GLU 217 CO 0.00 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.77 1ook n GLY 219 N 4.82 -2.07 2.82 -1.39 0.00 -1.26 -4.78 105.19 103.33 1ook n GLY 219 Ca -0.03 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.38 1ook n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ook n ASP 221 N 4.49 -5.89 -4.80 0.00 2.03 -1.26 -4.86 116.55 106.26 1ook n ASP 221 Ca -0.19 -0.02 -0.38 0.00 0.52 0.00 0.00 54.79 54.73 1ook n ASP 221 Cb 0.50 -4.90 -0.06 0.00 -0.72 0.00 0.00 41.12 35.94 1ook n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ook s ARG 221 N -5.06 4.40 0.30 -0.67 0.52 -1.26 -4.92 118.95 112.26 1ook s ARG 221 Ca 0.01 1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.94 1ook s ARG 221 Cb -0.00 -3.03 -0.12 0.00 0.52 0.00 0.00 34.95 32.32 1ook s ARG 221 CO 0.01 0.46 1.51 -0.25 0.02 0.00 0.00 175.30 177.05 1ook n ASP 222 N 1.08 3.52 0.00 0.23 8.00 -1.26 -1.70 116.55 126.41 1ook n ASP 222 Ca -0.04 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.63 1ook n ASP 222 Cb 0.50 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1ook n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ook n GLY 223 N 1.70 0.76 3.64 0.44 0.00 -1.26 -5.01 105.19 105.46 1ook n GLY 223 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1ook n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ook s LYS 224 N -0.17 2.30 0.04 1.61 3.01 -0.69 -4.78 119.74 121.06 1ook s LYS 224 Ca 0.00 -1.20 0.01 0.00 -1.01 0.00 0.00 55.97 53.77 1ook s LYS 224 Cb 0.00 -2.27 -0.02 0.00 -1.01 0.00 0.00 37.83 34.52 1ook s LYS 224 CO 0.00 0.43 -0.06 0.71 0.51 0.00 0.00 175.35 176.94 1ook s TYR 225 N -1.84 0.53 0.23 3.18 2.02 -1.26 -4.75 117.35 115.47 1ook s TYR 225 Ca 0.28 -0.52 -0.27 0.00 -0.37 0.00 0.00 57.07 56.18 1ook s TYR 225 Cb -0.09 -0.33 -0.09 0.00 -0.40 0.00 0.00 41.96 41.05 1ook s TYR 225 CO 0.18 -0.12 0.87 0.20 -1.57 0.00 0.00 175.55 175.11 1ook s GLY 226 N -1.58 2.96 -0.02 0.71 0.00 -1.01 -4.63 107.32 103.75 1ook s GLY 226 Ca -0.11 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.10 1ook s GLY 226 CO -0.00 1.00 -0.00 -1.36 0.00 0.00 0.00 173.10 172.73 1ook s PHE 227 N -1.28 3.08 0.05 1.90 0.40 0.11 -1.65 117.98 120.59 1ook s PHE 227 Ca 0.41 0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 1ook s PHE 227 Cb -0.23 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1ook s PHE 227 CO 0.28 0.46 -0.15 0.71 0.70 0.00 0.00 175.22 177.21 1ook s TYR 228 N -1.04 1.32 0.11 0.36 1.51 0.98 -1.73 117.35 118.85 1ook s TYR 228 Ca 0.18 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.55 1ook s TYR 228 Cb -0.11 -0.77 -0.08 0.00 -0.11 0.00 0.00 41.96 40.88 1ook s TYR 228 CO 0.09 0.06 1.39 0.99 -1.11 0.00 0.00 175.55 176.96 1ook s THR 229 N -0.94 3.34 -0.76 -0.71 2.01 -0.08 -1.47 115.64 117.04 1ook s THR 229 Ca 0.02 0.95 -0.27 0.00 0.31 0.00 0.00 61.69 62.70 1ook s THR 229 Cb -0.08 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.85 1ook s THR 229 CO 0.02 0.07 1.30 -2.28 -0.69 0.00 0.00 174.62 173.04 1ook s HIS 230 N 1.20 2.29 0.10 4.92 2.46 -0.42 -2.56 115.29 123.28 1ook s HIS 230 Ca 0.64 -0.10 -0.22 0.00 0.47 0.00 0.00 55.06 55.86 1ook s HIS 230 Cb -0.36 -4.63 -0.11 0.00 -0.13 0.00 0.00 32.58 27.35 1ook s HIS 230 CO 0.30 -2.07 1.73 0.28 -2.47 0.00 0.00 174.74 172.50 1ook h VAL 231 N 6.10 0.92 -0.75 0.89 2.07 -1.77 -3.08 116.25 120.63 1ook h VAL 231 Ca -0.24 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.38 1ook h VAL 231 Cb 1.05 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 1ook h VAL 231 CO 1.29 0.00 0.37 0.15 0.02 0.00 0.00 177.57 179.40 1ook h PHE 232 N -0.02 0.66 0.00 1.57 3.57 -1.88 -0.66 116.94 120.18 1ook h PHE 232 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1ook h PHE 232 Cb 0.06 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1ook h PHE 232 CO -0.13 0.21 0.00 0.00 -2.23 0.00 0.00 178.31 176.16 1ook h ARG 233 N 0.60 0.00 -0.46 1.11 3.08 -1.92 -1.03 114.38 115.76 1ook h ARG 233 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1ook h ARG 233 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ook h ARG 233 CO -0.30 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.88 1ook n LEU 234 N -3.06 3.26 -0.30 3.04 4.77 -0.30 -4.63 117.00 119.77 1ook n LEU 234 Ca -0.02 -1.92 0.13 0.00 -0.03 0.00 0.00 56.01 54.16 1ook n LEU 234 Cb 0.12 -0.31 0.30 0.00 -2.33 0.00 0.00 43.42 41.20 1ook n LEU 234 CO 0.21 0.80 1.04 0.50 -1.33 0.00 0.00 177.39 178.61 1ook h LYS 235 N 2.93 0.38 -0.71 3.23 1.63 -0.64 -1.53 116.57 121.85 1ook h LYS 235 Ca 0.00 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 1ook h LYS 235 Cb 0.82 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 1ook h LYS 235 CO 0.00 0.25 0.27 0.87 -3.45 0.00 0.00 179.45 177.39 1ook h LYS 236 N 0.39 1.08 -0.33 1.90 1.57 -1.82 -0.93 116.57 118.43 1ook h LYS 236 Ca 0.55 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.98 1ook h LYS 236 Cb 1.03 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1ook h LYS 236 CO -0.53 0.90 -0.36 2.35 -0.57 0.00 0.00 179.45 181.24 1ook h TRP 237 N 1.03 0.92 0.08 -1.35 7.01 -1.68 -2.23 115.95 119.73 1ook h TRP 237 Ca 0.24 -0.26 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1ook h TRP 237 Cb 0.24 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1ook h TRP 237 CO 0.02 1.02 -0.04 0.82 -2.79 0.00 0.00 178.44 177.47 1ook h ILE 238 N 0.64 0.92 -0.80 2.65 2.04 -0.93 -2.67 117.51 119.37 1ook h ILE 238 Ca 0.06 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1ook h ILE 238 Cb 0.91 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 1ook h ILE 238 CO 0.08 0.00 0.52 1.56 0.00 0.00 0.00 178.15 180.32 1ook h GLN 239 N -0.12 1.05 -0.95 2.37 4.20 -1.15 -1.31 115.11 119.21 1ook h GLN 239 Ca -0.01 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.68 1ook h GLN 239 Cb 0.09 -0.24 -0.06 0.00 0.30 0.00 0.00 27.48 27.58 1ook h GLN 239 CO 0.02 0.70 0.61 -0.22 -0.67 0.00 0.00 178.83 179.27 1ook h LYS 240 N 1.08 1.11 0.17 1.46 1.63 -1.23 0.79 116.57 121.59 1ook h LYS 240 Ca 0.29 -0.07 -0.27 0.00 -0.85 0.00 0.00 60.65 59.76 1ook h LYS 240 Cb -0.12 -0.25 0.02 0.00 -0.60 0.00 0.00 32.23 31.28 1ook h LYS 240 CO -0.06 0.74 -1.25 -0.39 -3.45 0.00 0.00 179.45 175.03 1ook h VAL 241 N 1.15 1.26 -0.09 2.00 -1.51 -1.28 -2.59 116.25 115.19 1ook h VAL 241 Ca 0.39 -2.54 0.04 0.00 -1.23 0.00 0.00 66.70 63.36 1ook h VAL 241 Cb 0.08 2.99 -0.06 0.00 -2.13 0.00 0.00 31.29 32.17 1ook h VAL 241 CO -0.15 0.76 -0.29 0.40 -1.23 0.00 0.00 177.57 177.06 1ook h ILE 242 N -0.16 0.34 -0.20 7.19 1.08 -1.08 -2.10 117.51 122.58 1ook h ILE 242 Ca -0.24 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1ook h ILE 242 Cb 1.86 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 1ook h ILE 242 CO 0.16 0.00 0.00 0.47 -0.69 0.00 0.00 178.15 178.09 1ook n ASP 243 N -5.39 1.44 -0.12 1.72 8.00 0.26 -4.45 116.55 118.01 1ook n ASP 243 Ca -0.03 -1.80 -0.07 0.00 0.71 0.00 0.00 54.79 53.60 1ook n ASP 243 Cb 0.31 -0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.29 1ook n ASP 243 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1ook h GLN 244 N 1.76 0.39 -6.59 -1.24 5.75 -0.95 -3.44 115.11 110.80 1ook h GLN 244 Ca 0.00 -0.02 -0.68 0.00 -0.15 0.00 0.00 58.65 57.80 1ook h GLN 244 Cb 0.39 -0.09 -0.19 0.00 1.07 0.00 0.00 27.48 28.66 1ook h GLN 244 CO 0.00 0.26 -0.78 -0.06 -2.65 0.00 0.00 178.83 175.60 1ook s PHE 245 N -6.15 2.62 -0.32 3.99 0.08 -1.26 -5.06 117.98 111.87 1ook s PHE 245 Ca -0.13 -0.22 -0.39 0.00 0.12 0.00 0.00 56.93 56.31 1ook s PHE 245 Cb 0.12 -1.44 -0.14 0.00 -0.57 0.00 0.00 43.02 40.99 1ook s PHE 245 CO 0.72 0.34 1.94 0.41 -0.10 0.00 0.00 175.22 178.53 1ook n GLY 246 N 1.17 0.66 0.00 4.36 0.00 -1.26 -5.09 105.19 105.04 1ook n GLY 246 Ca -0.15 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1ook n GLY 246 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48