#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afe s VAL 17 N 0.00 5.37 -0.98 1.39 1.01 -0.16 -4.11 120.40 122.92 1afe s VAL 17 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1afe s VAL 17 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1afe s VAL 17 CO 0.00 0.38 0.09 -0.62 0.00 0.00 0.00 175.10 174.95 1afe n GLU 18 N 4.00 -1.44 0.00 2.72 -0.58 -1.26 -2.02 120.64 122.06 1afe n GLU 18 Ca -0.15 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1afe n GLU 18 Cb 0.52 -4.69 0.00 0.00 -0.57 0.00 0.00 31.44 26.70 1afe n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1afe n GLY 19 N -1.06 2.25 3.42 0.62 0.00 -1.26 -4.69 105.19 104.48 1afe n GLY 19 Ca -0.12 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1afe n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1afe s SER 20 N -0.86 -0.10 0.30 1.61 1.04 -0.61 -4.89 113.70 110.19 1afe s SER 20 Ca 0.00 -0.67 -0.30 0.00 0.48 0.00 0.00 55.95 55.46 1afe s SER 20 Cb 0.00 0.50 -0.11 0.00 0.10 0.00 0.00 66.02 66.51 1afe s SER 20 CO 0.00 -0.96 1.58 -1.81 0.98 0.00 0.00 173.24 173.03 1afe s ASP 21 N -2.92 6.37 0.63 7.02 1.01 -1.26 -0.17 116.67 127.36 1afe s ASP 21 Ca 0.13 2.96 -0.14 0.00 0.71 0.00 0.00 52.55 56.21 1afe s ASP 21 Cb 0.01 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1afe s ASP 21 CO -0.02 -0.91 1.05 0.00 0.21 0.00 0.00 175.17 175.51 1afe s ALA 22 N -0.13 2.74 0.51 5.23 0.00 0.07 -4.77 121.76 125.41 1afe s ALA 22 Ca 0.62 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 1afe s ALA 22 Cb -0.48 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 1afe s ALA 22 CO 0.50 -0.94 0.91 -1.21 0.00 0.00 0.00 175.76 175.02 1afe s GLU 23 N -4.45 3.73 0.21 0.00 2.02 -1.26 -4.94 118.70 114.01 1afe s GLU 23 Ca 0.61 0.65 -0.31 0.00 0.02 0.00 0.00 54.97 55.93 1afe s GLU 23 Cb -0.15 -2.22 -0.11 0.00 0.10 0.00 0.00 34.13 31.75 1afe s GLU 23 CO 0.44 -0.29 1.64 0.42 0.02 0.00 0.00 175.26 177.49 1afe s ILE 24 N -2.75 2.25 -0.03 -1.63 -1.09 -1.26 -1.92 121.20 114.76 1afe s ILE 24 Ca 0.54 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 1afe s ILE 24 Cb -0.10 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 1afe s ILE 24 CO 0.40 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1afe n GLY 25 N 3.58 0.38 0.21 6.18 0.00 -1.26 -4.93 105.19 109.35 1afe n GLY 25 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1afe n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1afe h MET 26 N 0.67 0.32 -2.11 1.61 -1.53 -1.77 -3.35 114.93 108.77 1afe h MET 26 Ca -0.01 -0.13 -0.57 0.00 -3.44 0.00 0.00 59.70 55.55 1afe h MET 26 Cb 0.30 -0.01 -0.40 0.00 -0.55 0.00 0.00 31.60 30.94 1afe h MET 26 CO 0.01 0.62 -0.95 0.43 0.14 0.00 0.00 176.91 177.16 1afe n SER 27 N -4.08 1.12 0.00 1.39 7.64 -1.26 -4.96 113.62 113.46 1afe n SER 27 Ca -0.01 -2.87 0.07 0.00 1.01 0.00 0.00 58.87 57.07 1afe n SER 27 Cb 0.43 -0.64 0.37 0.00 -1.01 0.00 0.00 64.21 63.36 1afe n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1afe n PRO 28 N 1.40 0.23 0.00 1.43 -0.04 -1.26 -1.13 135.00 135.63 1afe n PRO 28 Ca 0.24 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1afe n PRO 28 Cb 0.49 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.67 1afe n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1afe n TRP 29 N -1.25 0.00 -2.03 0.54 2.14 -1.12 -2.27 117.44 113.45 1afe n TRP 29 Ca 0.07 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.22 1afe n TRP 29 Cb 0.11 -0.05 -0.03 0.00 -0.81 0.00 0.00 31.31 30.52 1afe n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1afe s GLN 30 N -2.41 4.26 0.02 -2.67 2.00 -0.28 -1.09 119.66 119.47 1afe s GLN 30 Ca 0.23 2.25 0.08 0.00 -2.00 0.00 0.00 55.36 55.93 1afe s GLN 30 Cb 0.19 -3.19 -0.02 0.00 0.80 0.00 0.00 33.01 30.79 1afe s GLN 30 CO 0.51 -0.54 -0.25 0.08 -0.50 0.00 0.00 175.29 174.59 1afe s VAL 31 N 1.11 2.00 -0.19 1.34 1.01 -0.90 -4.01 120.40 120.77 1afe s VAL 31 Ca 0.68 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1afe s VAL 31 Cb -0.41 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1afe s VAL 31 CO 0.31 0.42 -0.03 -0.32 0.00 0.00 0.00 175.10 175.48 1afe s MET 32 N -0.97 3.57 -0.32 2.72 1.75 0.15 -2.15 119.30 124.05 1afe s MET 32 Ca 0.10 -0.55 -0.21 0.00 -1.25 0.00 0.00 55.69 53.79 1afe s MET 32 Cb -0.10 -3.00 -0.01 0.00 2.84 0.00 0.00 34.83 34.57 1afe s MET 32 CO 0.01 0.04 0.65 -0.51 -0.65 0.00 0.00 175.02 174.56 1afe s LEU 33 N 0.89 4.16 -0.13 4.11 1.43 0.04 -0.30 118.68 128.87 1afe s LEU 33 Ca 0.00 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1afe s LEU 33 Cb -0.14 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.24 1afe s LEU 33 CO 0.02 -0.52 -0.17 0.12 0.23 0.00 0.00 176.35 176.02 1afe s PHE 34 N 2.68 2.28 0.01 0.29 5.36 0.63 0.12 117.98 129.36 1afe s PHE 34 Ca 0.26 -1.17 -0.30 0.00 -0.96 0.00 0.00 56.93 54.76 1afe s PHE 34 Cb -0.15 -1.61 -0.04 0.00 -0.34 0.00 0.00 43.02 40.88 1afe s PHE 34 CO 0.12 -0.58 1.09 0.50 -1.46 0.00 0.00 175.22 174.89 1afe s ARG 35 N 1.07 4.48 0.10 10.12 3.52 0.24 0.30 118.95 138.78 1afe s ARG 35 Ca -0.03 1.58 -0.20 0.00 -0.13 0.00 0.00 55.73 56.94 1afe s ARG 35 Cb -0.14 -3.43 -0.09 0.00 -1.56 0.00 0.00 34.95 29.73 1afe s ARG 35 CO -0.05 -0.18 1.67 0.87 -0.81 0.00 0.00 175.30 176.80 1afe h LYS 36 N 6.87 0.25 -1.64 5.12 1.57 -1.77 -2.73 116.57 124.25 1afe h LYS 36 Ca -0.40 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1afe h LYS 36 Cb 1.21 -0.05 -0.21 0.00 0.08 0.00 0.00 32.23 33.26 1afe h LYS 36 CO 0.79 0.28 -0.06 0.45 -0.57 0.00 0.00 179.45 180.35 1afe s SER 36 N -5.51 -1.02 0.82 0.86 0.15 -1.26 -3.61 113.70 104.13 1afe s SER 36 Ca -0.13 1.30 -0.12 0.00 0.70 0.00 0.00 55.95 57.70 1afe s SER 36 Cb 0.07 2.13 0.09 0.00 -1.71 0.00 0.00 66.02 66.60 1afe s SER 36 CO 0.70 -0.20 1.16 -2.16 1.20 0.00 0.00 173.24 173.94 1afe s PRO 37 N 2.79 1.61 -0.51 5.44 0.04 -1.26 -5.05 135.00 138.06 1afe s PRO 37 Ca -0.03 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 1afe s PRO 37 Cb -0.11 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1afe s PRO 37 CO -0.19 -2.19 1.28 -0.65 0.04 0.00 0.00 177.00 175.29 1afe s GLN 38 N -4.41 3.53 0.06 4.56 -0.21 -1.24 -4.61 119.66 117.35 1afe s GLN 38 Ca 0.69 0.53 -0.15 0.00 0.02 0.00 0.00 55.36 56.44 1afe s GLN 38 Cb -0.24 -4.01 0.03 0.00 1.00 0.00 0.00 33.01 29.78 1afe s GLN 38 CO 0.53 -1.64 0.34 -1.83 -2.12 0.00 0.00 175.29 170.57 1afe s GLU 39 N 4.95 0.90 -0.20 2.91 -1.05 -1.03 -4.95 118.70 120.23 1afe s GLU 39 Ca 0.50 -0.55 -0.29 0.00 -0.15 0.00 0.00 54.97 54.48 1afe s GLU 39 Cb -0.09 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 33.98 1afe s GLU 39 CO 0.29 -0.31 1.22 -1.17 0.95 0.00 0.00 175.26 176.23 1afe s LEU 40 N -2.28 4.11 -0.16 1.83 2.96 -1.26 0.79 118.68 124.66 1afe s LEU 40 Ca -0.02 1.54 -0.19 0.00 -0.22 0.00 0.00 54.13 55.23 1afe s LEU 40 Cb 0.00 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.99 1afe s LEU 40 CO -0.06 -0.79 0.30 -0.07 -1.32 0.00 0.00 176.35 174.41 1afe h LEU 41 N 9.85 0.00 -7.86 -0.68 4.07 -0.68 -3.47 115.31 116.54 1afe h LEU 41 Ca -0.25 -0.52 0.17 0.00 0.08 0.00 0.00 57.88 57.36 1afe h LEU 41 Cb 1.09 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.78 1afe h LEU 41 CO 0.98 1.11 0.57 0.00 -1.08 0.00 0.00 178.44 180.02 1afe s GLY 43 N -3.29 1.80 0.13 0.00 0.00 0.00 -0.78 107.32 105.18 1afe s GLY 43 Ca 0.19 -1.53 -0.24 0.00 0.00 0.00 0.00 44.72 43.14 1afe s GLY 43 CO 0.04 -1.15 1.09 0.00 0.00 0.00 0.00 173.10 173.09 1afe s ALA 44 N -2.86 -1.81 0.00 3.20 0.00 -0.92 -3.79 121.76 115.58 1afe s ALA 44 Ca 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 1afe s ALA 44 Cb -0.08 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1afe s ALA 44 CO 0.40 -1.07 0.02 -1.54 0.00 0.00 0.00 175.76 173.56 1afe s SER 45 N -3.35 0.09 -0.35 0.00 1.04 0.15 -2.12 113.70 109.17 1afe s SER 45 Ca 0.21 -0.21 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 1afe s SER 45 Cb -0.01 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1afe s SER 45 CO 0.03 -0.17 0.64 -0.22 0.98 0.00 0.00 173.24 174.49 1afe s LEU 46 N -0.75 4.24 -0.00 2.42 0.20 -0.25 0.56 118.68 125.10 1afe s LEU 46 Ca -0.08 0.17 0.14 0.00 0.69 0.00 0.00 54.13 55.06 1afe s LEU 46 Cb -0.05 -2.79 -0.16 0.00 -0.43 0.00 0.00 46.19 42.76 1afe s LEU 46 CO -0.00 -0.58 0.61 2.30 -0.29 0.00 0.00 176.35 178.38 1afe n ILE 47 N 5.57 0.00 -3.65 6.68 -5.35 -0.24 -1.47 119.36 120.89 1afe n ILE 47 Ca -0.01 -0.16 -0.01 0.00 -0.27 0.00 0.00 62.75 62.29 1afe n ILE 47 Cb 0.49 0.97 0.01 0.00 -1.74 0.00 0.00 39.64 39.36 1afe n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1afe n SER 48 N -1.37 -0.74 0.17 7.28 3.41 -1.20 -4.71 113.62 116.45 1afe n SER 48 Ca 0.03 -1.38 0.13 0.00 -0.26 0.00 0.00 58.87 57.39 1afe n SER 48 Cb 0.23 1.21 0.56 0.00 -0.26 0.00 0.00 64.21 65.95 1afe n SER 48 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1afe h ASP 49 N 0.86 0.00 0.00 4.04 2.03 -1.93 -3.27 116.42 118.16 1afe h ASP 49 Ca -0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1afe h ASP 49 Cb 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1afe h ASP 49 CO 0.16 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.91 1afe n ARG 50 N -2.45 -0.32 -4.51 4.15 5.12 -1.26 -0.95 116.66 116.45 1afe n ARG 50 Ca 0.01 -0.44 -0.24 0.00 -1.93 0.00 0.00 57.85 55.25 1afe n ARG 50 Cb 0.22 -0.83 -0.17 0.00 -1.16 0.00 0.00 32.46 30.53 1afe n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1afe s TRP 51 N -0.09 1.39 -0.03 -1.55 0.52 -1.23 0.20 118.94 118.15 1afe s TRP 51 Ca 0.00 -0.52 0.04 0.00 0.02 0.00 0.00 56.10 55.64 1afe s TRP 51 Cb 0.00 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.25 1afe s TRP 51 CO 0.00 -0.28 -0.14 0.08 0.02 0.00 0.00 176.95 176.63 1afe s VAL 52 N 0.75 3.10 -0.10 4.03 1.01 0.30 -1.08 120.40 128.40 1afe s VAL 52 Ca -0.13 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1afe s VAL 52 Cb -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1afe s VAL 52 CO 0.03 0.54 -0.09 -0.22 0.00 0.00 0.00 175.10 175.36 1afe s LEU 53 N -0.89 3.00 0.00 3.92 2.96 0.19 -1.26 118.68 126.60 1afe s LEU 53 Ca 0.12 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1afe s LEU 53 Cb -0.11 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1afe s LEU 53 CO 0.02 0.26 0.41 1.07 -1.32 0.00 0.00 176.35 176.79 1afe n THR 54 N 2.92 0.00 -3.17 3.68 5.66 0.09 -0.67 114.28 122.79 1afe n THR 54 Ca -0.18 -1.37 -0.39 0.00 -3.05 0.00 0.00 64.05 59.06 1afe n THR 54 Cb 0.53 0.87 -0.05 0.00 -1.55 0.00 0.00 70.33 70.12 1afe n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1afe s ALA 55 N -2.48 3.44 0.35 1.79 0.00 -1.26 -0.90 121.76 122.70 1afe s ALA 55 Ca 0.22 0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.32 1afe s ALA 55 Cb -0.01 -2.80 0.84 0.00 0.00 0.00 0.00 23.12 21.15 1afe s ALA 55 CO 0.16 0.07 1.85 0.00 0.00 0.00 0.00 175.76 177.84 1afe h ALA 56 N 6.06 1.86 0.00 0.00 0.00 -1.72 -1.65 119.26 123.81 1afe h ALA 56 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1afe h ALA 56 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1afe h ALA 56 CO 0.72 -0.13 0.00 1.12 0.00 0.00 0.00 179.25 180.95 1afe h HIS 57 N 0.67 0.00 -0.06 0.00 2.07 -1.90 -1.54 115.15 114.39 1afe h HIS 57 Ca 0.48 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.91 1afe h HIS 57 Cb 0.82 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.79 1afe h HIS 57 CO -0.00 0.00 -0.36 0.00 -3.07 0.00 0.00 177.93 174.50 1afe n LEU 59 N -4.09 2.69 -3.79 0.00 4.77 -0.67 -4.86 117.00 111.06 1afe n LEU 59 Ca -0.02 -0.12 -0.23 0.00 -0.03 0.00 0.00 56.01 55.61 1afe n LEU 59 Cb 0.42 -0.76 -0.17 0.00 -2.33 0.00 0.00 43.42 40.58 1afe n LEU 59 CO 0.40 0.89 -0.39 -0.22 -1.33 0.00 0.00 177.39 176.73 1afe s LEU 60 N -6.38 0.67 -0.01 2.23 2.96 -0.67 0.11 118.68 117.59 1afe s LEU 60 Ca -0.32 -0.11 -0.29 0.00 -0.22 0.00 0.00 54.13 53.19 1afe s LEU 60 Cb 0.08 -0.49 0.08 0.00 0.50 0.00 0.00 46.19 46.36 1afe s LEU 60 CO 0.61 -0.18 0.71 -0.47 -1.32 0.00 0.00 176.35 175.70 1afe s TYR 60 N 1.93 -0.57 0.00 5.38 5.04 0.36 -4.16 117.35 125.33 1afe s TYR 60 Ca 0.05 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.47 1afe s TYR 60 Cb -0.12 0.46 0.00 0.00 0.35 0.00 0.00 41.96 42.65 1afe s TYR 60 CO -0.06 -0.63 0.00 -2.30 -1.34 0.00 0.00 175.55 171.22 1afe n PRO 60 N 0.46 0.00 -0.11 4.97 -0.02 -1.26 -1.59 135.00 137.45 1afe n PRO 60 Ca -0.17 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.35 1afe n PRO 60 Cb 0.60 -0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.16 1afe n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1afe n TRP 60 N -0.00 0.28 -2.38 6.00 8.01 -1.26 -4.96 117.44 123.14 1afe n TRP 60 Ca 0.00 -0.50 -0.14 0.00 -1.31 0.00 0.00 57.50 55.56 1afe n TRP 60 Cb 0.00 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.26 1afe n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1afe n ASP 60 N 0.12 -4.32 -4.59 -0.99 8.00 -1.12 -4.98 116.55 108.66 1afe n ASP 60 Ca 0.07 -0.05 -0.38 0.00 0.71 0.00 0.00 54.79 55.13 1afe n ASP 60 Cb 0.36 -3.43 -0.10 0.00 -0.02 0.00 0.00 41.12 37.93 1afe n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1afe s LYS 60 N -4.83 3.97 -0.45 -1.24 2.20 -0.62 -4.98 119.74 113.79 1afe s LYS 60 Ca 0.05 -0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1afe s LYS 60 Cb -0.02 -3.66 0.22 0.00 -1.51 0.00 0.00 37.83 32.86 1afe s LYS 60 CO 0.06 -0.22 0.65 -1.71 -0.36 0.00 0.00 175.35 173.76 1afe n ASN 60 N 5.17 -1.67 -4.79 1.43 5.15 -1.18 0.14 115.26 119.50 1afe n ASN 60 Ca -0.12 -2.88 -0.35 0.00 -0.60 0.00 0.00 54.58 50.64 1afe n ASN 60 Cb 0.51 0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 40.39 1afe n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1afe s PHE 60 N 0.06 3.00 0.35 1.20 0.08 0.30 -4.98 117.98 118.00 1afe s PHE 60 Ca 0.33 1.58 0.09 0.00 0.12 0.00 0.00 56.93 59.05 1afe s PHE 60 Cb 0.13 -3.12 -0.06 0.00 -0.57 0.00 0.00 43.02 39.41 1afe s PHE 60 CO -0.16 -0.90 0.04 0.99 -0.10 0.00 0.00 175.22 175.09 1afe s THR 60 N -1.88 2.55 0.27 0.64 2.01 -1.26 -4.87 115.64 113.11 1afe s THR 60 Ca 0.66 -1.93 -0.00 0.00 0.31 0.00 0.00 61.69 60.73 1afe s THR 60 Cb -0.19 -2.85 0.27 0.00 0.01 0.00 0.00 72.50 69.75 1afe s THR 60 CO 0.23 -0.16 1.68 -0.33 -0.69 0.00 0.00 174.62 175.35 1afe h GLU 61 N 1.74 0.29 0.00 4.92 4.39 -1.95 -0.60 114.58 123.38 1afe h GLU 61 Ca -0.43 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1afe h GLU 61 Cb 1.25 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1afe h GLU 61 CO 0.68 0.19 0.00 0.09 -1.16 0.00 0.00 179.01 178.81 1afe n ASN 62 N -5.14 0.00 0.07 1.42 3.02 -1.26 -3.25 115.26 110.12 1afe n ASN 62 Ca 0.19 -0.69 0.11 0.00 -0.03 0.00 0.00 54.58 54.16 1afe n ASN 62 Cb 0.58 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.69 1afe n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1afe n ASP 63 N -1.06 0.65 -4.41 6.41 8.00 -0.23 -4.96 116.55 120.95 1afe n ASP 63 Ca 0.19 0.16 -0.21 0.00 0.71 0.00 0.00 54.79 55.63 1afe n ASP 63 Cb 0.12 0.74 -0.10 0.00 -0.02 0.00 0.00 41.12 41.86 1afe n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1afe s LEU 64 N -4.86 2.57 0.04 0.64 1.43 -1.20 -2.31 118.68 115.00 1afe s LEU 64 Ca -0.00 -1.05 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 1afe s LEU 64 Cb 0.11 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 1afe s LEU 64 CO 0.81 -0.11 -0.15 -0.76 0.23 0.00 0.00 176.35 176.37 1afe s LEU 65 N -3.41 2.18 -0.23 1.79 1.02 0.15 -4.59 118.68 115.59 1afe s LEU 65 Ca 0.26 -0.49 -0.07 0.00 0.02 0.00 0.00 54.13 53.86 1afe s LEU 65 Cb -0.02 -0.64 -0.03 0.00 0.02 0.00 0.00 46.19 45.52 1afe s LEU 65 CO 0.11 0.04 0.06 -0.69 0.02 0.00 0.00 176.35 175.88 1afe s VAL 66 N -0.90 4.33 -0.19 -1.59 1.01 -0.69 -0.26 120.40 122.11 1afe s VAL 66 Ca 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1afe s VAL 66 Cb -0.08 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1afe s VAL 66 CO 0.01 0.37 -0.05 -0.13 0.00 0.00 0.00 175.10 175.31 1afe s ARG 67 N 1.33 3.49 0.04 2.72 0.52 0.59 -0.59 118.95 127.06 1afe s ARG 67 Ca 0.05 -0.59 0.08 0.00 -0.52 0.00 0.00 55.73 54.75 1afe s ARG 67 Cb -0.15 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1afe s ARG 67 CO 0.03 0.00 -0.22 0.42 0.02 0.00 0.00 175.30 175.55 1afe s ILE 68 N 0.97 2.46 0.00 1.52 1.01 0.86 0.30 121.20 128.32 1afe s ILE 68 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1afe s ILE 68 Cb -0.15 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1afe s ILE 68 CO 0.01 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1afe n GLY 69 N 1.69 0.52 3.89 6.18 0.00 -1.26 -0.64 105.19 115.57 1afe n GLY 69 Ca -0.17 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1afe n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afe s LYS 70 N -1.56 3.52 0.19 1.61 1.02 -1.26 -4.31 119.74 118.95 1afe s LYS 70 Ca 0.00 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1afe s LYS 70 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1afe s LYS 70 CO 0.00 -0.44 0.00 1.58 -0.92 0.00 0.00 175.35 175.57 1afe n HIS 71 N -2.55 -1.48 -2.17 3.18 -0.00 -1.26 -4.94 115.22 106.01 1afe n HIS 71 Ca 0.04 0.26 -0.41 0.00 -0.00 0.00 0.00 57.72 57.60 1afe n HIS 71 Cb 0.55 0.40 -0.03 0.00 -0.00 0.00 0.00 29.99 30.91 1afe n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1afe s SER 72 N -5.25 6.83 0.01 0.26 0.15 -1.26 -0.72 113.70 113.72 1afe s SER 72 Ca 0.00 2.45 -0.25 0.00 0.70 0.00 0.00 55.95 58.85 1afe s SER 72 Cb 0.00 -2.61 -0.18 0.00 -1.71 0.00 0.00 66.02 61.52 1afe s SER 72 CO 0.00 -0.58 1.38 -0.09 1.20 0.00 0.00 173.24 175.15 1afe h ARG 73 N 5.53 0.03 0.00 5.44 2.43 -1.45 -3.39 114.38 122.97 1afe h ARG 73 Ca -0.45 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 1afe h ARG 73 Cb 1.21 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1afe h ARG 73 CO 0.79 0.40 -2.08 0.25 -1.51 0.00 0.00 179.97 177.81 1afe n THR 74 N -4.88 0.42 -2.57 0.20 -2.24 -1.26 -5.01 114.28 98.94 1afe n THR 74 Ca -0.08 -0.59 -0.34 0.00 -2.27 0.00 0.00 64.05 60.77 1afe n THR 74 Cb 0.21 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 1afe n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1afe s ARG 75 N -3.15 3.90 -0.53 -0.78 3.00 -1.26 -4.99 118.95 115.14 1afe s ARG 75 Ca -0.08 1.36 -0.24 0.00 0.00 0.00 0.00 55.73 56.77 1afe s ARG 75 Cb 0.11 -2.18 0.04 0.00 0.00 0.00 0.00 34.95 32.92 1afe s ARG 75 CO 0.85 -0.34 0.91 -0.47 0.00 0.00 0.00 175.30 176.25 1afe s TYR 76 N -1.94 2.83 -1.29 -0.53 5.04 -1.26 -4.91 117.35 115.29 1afe s TYR 76 Ca 0.65 0.01 -0.18 0.00 -2.44 0.00 0.00 57.07 55.11 1afe s TYR 76 Cb -0.17 -4.01 0.03 0.00 0.35 0.00 0.00 41.96 38.16 1afe s TYR 76 CO 0.20 -1.29 1.88 0.39 -1.34 0.00 0.00 175.55 175.39 1afe n GLU 77 N 7.32 2.84 -1.63 4.97 1.02 -1.26 -4.97 120.64 128.93 1afe n GLU 77 Ca 0.02 -2.96 -0.51 0.00 -0.02 0.00 0.00 57.16 53.69 1afe n GLU 77 Cb 0.47 -3.46 -0.06 0.00 -0.02 0.00 0.00 31.44 28.38 1afe n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1afe n ARG 77 N 7.82 1.42 -0.83 3.49 0.63 -1.26 -1.01 116.66 126.91 1afe n ARG 77 Ca 0.49 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.94 1afe n ARG 77 Cb 0.44 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1afe n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1afe n ASN 78 N 3.26 -1.41 0.02 6.15 5.03 -1.26 -4.79 115.26 122.26 1afe n ASN 78 Ca 0.19 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.63 1afe n ASN 78 Cb 0.21 -1.44 -0.01 0.00 -1.02 0.00 0.00 39.78 37.52 1afe n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1afe n ILE 79 N -2.16 1.09 -2.41 2.41 5.41 -0.18 -5.07 119.36 118.44 1afe n ILE 79 Ca 0.00 0.31 -0.33 0.00 1.00 0.00 0.00 62.75 63.73 1afe n ILE 79 Cb 0.08 -1.64 -0.03 0.00 -0.71 0.00 0.00 39.64 37.34 1afe n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1afe s GLU 80 N -2.00 3.79 -0.04 0.38 -1.05 -0.36 -4.82 118.70 114.60 1afe s GLU 80 Ca -0.05 1.15 0.06 0.00 -0.15 0.00 0.00 54.97 55.98 1afe s GLU 80 Cb 0.01 -2.10 -0.01 0.00 -0.44 0.00 0.00 34.13 31.58 1afe s GLU 80 CO 0.07 -0.42 -0.22 0.15 0.95 0.00 0.00 175.26 175.80 1afe s LYS 81 N -3.71 2.04 -0.12 -4.83 3.01 0.19 -4.90 119.74 111.41 1afe s LYS 81 Ca 0.63 -0.78 -0.00 0.00 -1.01 0.00 0.00 55.97 54.80 1afe s LYS 81 Cb -0.13 -1.83 -0.02 0.00 -1.01 0.00 0.00 37.83 34.84 1afe s LYS 81 CO 0.27 0.39 -0.12 0.42 0.51 0.00 0.00 175.35 176.82 1afe s ILE 82 N -0.26 3.20 0.16 2.17 1.01 -1.26 -0.10 121.20 126.13 1afe s ILE 82 Ca 0.01 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.09 1afe s ILE 82 Cb -0.11 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1afe s ILE 82 CO 0.01 0.53 -0.08 -0.44 0.00 0.00 0.00 174.94 174.96 1afe s SER 83 N 0.21 1.77 0.07 3.58 0.01 0.25 -4.99 113.70 114.59 1afe s SER 83 Ca -0.07 -1.05 0.04 0.00 1.31 0.00 0.00 55.95 56.17 1afe s SER 83 Cb -0.15 -0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 1afe s SER 83 CO 0.05 -0.37 0.04 -0.04 0.41 0.00 0.00 173.24 173.33 1afe s MET 84 N -3.77 2.74 -0.00 12.44 -1.94 -1.26 -1.70 119.30 125.81 1afe s MET 84 Ca 0.19 -0.74 -0.21 0.00 -1.71 0.00 0.00 55.69 53.22 1afe s MET 84 Cb 0.03 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 34.17 1afe s MET 84 CO 0.02 0.56 0.61 -0.51 -0.01 0.00 0.00 175.02 175.69 1afe s LEU 85 N -2.27 4.42 -0.20 -0.03 1.43 -1.26 0.87 118.68 121.64 1afe s LEU 85 Ca 0.27 1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 54.39 1afe s LEU 85 Cb -0.12 -2.95 -0.20 0.00 0.03 0.00 0.00 46.19 42.95 1afe s LEU 85 CO 0.19 0.09 0.14 1.21 0.23 0.00 0.00 176.35 178.22 1afe n GLU 86 N 2.75 0.62 -3.71 1.70 2.13 0.14 -4.64 120.64 119.63 1afe n GLU 86 Ca -0.06 0.44 -0.14 0.00 0.66 0.00 0.00 57.16 58.06 1afe n GLU 86 Cb 0.51 -1.69 -0.09 0.00 0.27 0.00 0.00 31.44 30.44 1afe n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1afe s LYS 87 N -2.44 0.63 -0.07 5.31 2.36 -1.15 -5.01 119.74 119.37 1afe s LYS 87 Ca -0.29 0.38 -0.02 0.00 -2.55 0.00 0.00 55.97 53.49 1afe s LYS 87 Cb 0.08 0.30 -0.03 0.00 -1.05 0.00 0.00 37.83 37.12 1afe s LYS 87 CO 0.62 -0.13 0.02 0.42 1.55 0.00 0.00 175.35 177.83 1afe s ILE 88 N -0.33 4.39 -0.08 5.43 1.01 -1.26 -1.22 121.20 129.15 1afe s ILE 88 Ca -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 1afe s ILE 88 Cb -0.03 -2.88 0.02 0.00 0.01 0.00 0.00 42.46 39.58 1afe s ILE 88 CO 0.03 0.56 -0.05 -0.31 0.00 0.00 0.00 174.94 175.17 1afe s TYR 89 N -0.94 1.01 -0.04 3.97 1.51 0.91 -5.01 117.35 118.76 1afe s TYR 89 Ca 0.15 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1afe s TYR 89 Cb -0.11 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1afe s TYR 89 CO 0.04 -0.34 0.07 0.42 -1.11 0.00 0.00 175.55 174.64 1afe s ILE 90 N 1.48 4.76 0.13 2.71 1.01 -1.26 -0.87 121.20 129.16 1afe s ILE 90 Ca -0.01 -0.28 -0.33 0.00 0.00 0.00 0.00 60.65 60.03 1afe s ILE 90 Cb -0.13 -3.12 -0.13 0.00 0.01 0.00 0.00 42.46 39.08 1afe s ILE 90 CO -0.04 0.45 1.66 1.57 0.00 0.00 0.00 174.94 178.58 1afe n HIS 91 N 1.52 2.38 -0.01 3.97 -0.00 -1.07 -4.84 115.22 117.17 1afe n HIS 91 Ca -0.15 0.16 0.15 0.00 -0.00 0.00 0.00 57.72 57.88 1afe n HIS 91 Cb 0.53 -2.59 0.60 0.00 -0.00 0.00 0.00 29.99 28.53 1afe n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1afe h PRO 92 N 6.71 0.18 -0.49 1.57 0.13 -1.95 -1.30 132.00 136.84 1afe h PRO 92 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1afe h PRO 92 Cb 1.25 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1afe h PRO 92 CO 0.91 0.12 0.00 0.54 -0.23 0.00 0.00 178.00 179.34 1afe n ARG 93 N -4.44 4.34 -1.67 0.86 1.74 -1.26 -4.99 116.66 111.25 1afe n ARG 93 Ca 0.08 -3.07 -0.48 0.00 -0.77 0.00 0.00 57.85 53.61 1afe n ARG 93 Cb 0.45 -2.14 -0.05 0.00 -1.02 0.00 0.00 32.46 29.70 1afe n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1afe n TYR 94 N 0.34 2.20 -3.43 -1.55 9.36 -0.49 -4.76 117.16 118.82 1afe n TYR 94 Ca 0.26 0.23 -0.42 0.00 3.32 0.00 0.00 57.90 61.29 1afe n TYR 94 Cb 1.11 -2.55 -0.02 0.00 -0.63 0.00 0.00 39.34 37.24 1afe n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1afe s ASN 95 N 2.05 6.88 0.43 2.98 3.84 0.15 -4.81 114.94 126.46 1afe s ASN 95 Ca 0.85 -3.56 0.26 0.00 0.21 0.00 0.00 52.86 50.62 1afe s ASN 95 Cb -0.74 -2.12 0.72 0.00 -0.55 0.00 0.00 41.25 38.57 1afe s ASN 95 CO 0.45 -0.28 1.74 4.11 -2.79 0.00 0.00 177.10 180.33 1afe h TRP 96 N 6.56 0.00 -0.14 0.43 5.08 -1.91 0.31 115.95 126.28 1afe h TRP 96 Ca 0.16 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.97 1afe h TRP 96 Cb 0.87 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.02 1afe h TRP 96 CO 0.76 0.00 -0.62 0.00 -1.28 0.00 0.00 178.44 177.30 1afe h ARG 97 N 0.00 0.48 0.00 0.12 3.08 -2.00 -3.44 114.38 112.63 1afe h ARG 97 Ca 0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1afe h ARG 97 Cb 0.79 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1afe h ARG 97 CO 0.00 0.95 -0.07 -1.91 -1.07 0.00 0.00 179.97 177.88 1afe n GLU 97 N -3.91 0.04 -0.20 0.04 2.13 -1.22 -4.98 120.64 112.53 1afe n GLU 97 Ca -0.04 0.01 0.02 0.00 0.66 0.00 0.00 57.16 57.81 1afe n GLU 97 Cb 0.64 -0.30 0.02 0.00 0.27 0.00 0.00 31.44 32.08 1afe n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1afe n ASN 98 N -2.76 0.69 -1.15 4.31 0.23 -1.16 -4.97 115.26 110.46 1afe n ASN 98 Ca -0.01 -1.87 -0.12 0.00 -0.53 0.00 0.00 54.58 52.05 1afe n ASN 98 Cb 0.03 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 37.55 1afe n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1afe n LEU 99 N -0.32 -1.18 -4.76 -4.53 4.77 0.11 -4.96 117.00 106.13 1afe n LEU 99 Ca 0.03 0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 1afe n LEU 99 Cb 0.56 -1.92 -0.02 0.00 -2.33 0.00 0.00 43.42 39.71 1afe n LEU 99 CO 0.00 -0.42 1.06 -0.62 -1.33 0.00 0.00 177.39 176.08 1afe s ASP 100 N -2.69 6.66 -1.06 -1.43 2.15 -1.23 -2.83 116.67 116.25 1afe s ASP 100 Ca 0.00 2.72 -0.01 0.00 0.43 0.00 0.00 52.55 55.70 1afe s ASP 100 Cb 0.00 -2.64 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1afe s ASP 100 CO 0.00 -0.66 0.88 0.54 -0.17 0.00 0.00 175.17 175.76 1afe n ARG 101 N 1.54 -5.53 -2.72 4.34 1.74 -1.26 0.30 116.66 115.07 1afe n ARG 101 Ca 0.04 0.76 -0.43 0.00 -0.77 0.00 0.00 57.85 57.44 1afe n ARG 101 Cb 0.41 -5.49 -0.01 0.00 -1.02 0.00 0.00 32.46 26.35 1afe n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1afe s ASP 102 N -4.13 6.83 -0.08 0.55 2.15 -1.13 -4.31 116.67 116.56 1afe s ASP 102 Ca 0.04 -2.41 -0.14 0.00 0.43 0.00 0.00 52.55 50.47 1afe s ASP 102 Cb -0.01 -2.51 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1afe s ASP 102 CO 0.65 -1.09 0.35 -0.51 -0.17 0.00 0.00 175.17 174.40 1afe s ILE 103 N 3.44 0.03 -0.12 4.11 2.07 -1.26 -3.83 121.20 125.64 1afe s ILE 103 Ca 0.47 -0.21 -0.21 0.00 -1.41 0.00 0.00 60.65 59.29 1afe s ILE 103 Cb 0.01 -0.57 0.05 0.00 0.13 0.00 0.00 42.46 42.07 1afe s ILE 103 CO 0.01 -0.12 0.52 0.00 -1.91 0.00 0.00 174.94 173.45 1afe s ALA 104 N -0.53 -1.32 -0.03 1.50 0.00 -0.08 -2.58 121.76 118.71 1afe s ALA 104 Ca -0.06 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1afe s ALA 104 Cb -0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1afe s ALA 104 CO 0.02 -0.29 -0.04 -0.51 0.00 0.00 0.00 175.76 174.95 1afe s LEU 105 N -0.51 3.33 -0.11 0.00 1.43 -0.05 -0.74 118.68 122.04 1afe s LEU 105 Ca -0.06 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1afe s LEU 105 Cb -0.03 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1afe s LEU 105 CO 0.04 0.31 -0.07 -0.04 0.23 0.00 0.00 176.35 176.83 1afe s MET 106 N -1.24 1.43 -0.18 1.70 -1.94 -0.39 -0.06 119.30 118.61 1afe s MET 106 Ca 0.16 -0.22 -0.19 0.00 -1.71 0.00 0.00 55.69 53.73 1afe s MET 106 Cb -0.11 -1.51 -0.03 0.00 2.01 0.00 0.00 34.83 35.18 1afe s MET 106 CO 0.06 -0.26 0.55 0.21 -0.01 0.00 0.00 175.02 175.56 1afe s LYS 107 N 1.71 4.22 0.49 2.03 2.20 -0.36 -0.53 119.74 129.51 1afe s LYS 107 Ca 0.05 0.49 -0.20 0.00 -0.36 0.00 0.00 55.97 55.94 1afe s LYS 107 Cb -0.13 -3.55 -0.08 0.00 -1.51 0.00 0.00 37.83 32.57 1afe s LYS 107 CO -0.08 -0.13 1.03 -0.51 -0.36 0.00 0.00 175.35 175.31 1afe s LEU 108 N 1.55 3.81 0.12 5.43 1.43 0.13 0.27 118.68 131.43 1afe s LEU 108 Ca 0.26 1.89 -0.20 0.00 -1.03 0.00 0.00 54.13 55.05 1afe s LEU 108 Cb -0.16 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 1afe s LEU 108 CO 0.10 -0.79 1.76 0.11 0.23 0.00 0.00 176.35 177.77 1afe h LYS 109 N 1.46 0.20 -5.10 1.70 1.57 0.22 -3.40 116.57 113.22 1afe h LYS 109 Ca -0.49 -0.01 -0.36 0.00 -1.87 0.00 0.00 60.65 57.92 1afe h LYS 109 Cb 1.22 -0.04 -0.20 0.00 0.08 0.00 0.00 32.23 33.29 1afe h LYS 109 CO 0.59 0.13 -0.75 0.15 -0.57 0.00 0.00 179.45 179.00 1afe s LYS 110 N -6.18 0.82 0.41 3.15 1.02 -1.26 -4.95 119.74 112.75 1afe s LYS 110 Ca -0.13 -1.05 -0.26 0.00 0.02 0.00 0.00 55.97 54.55 1afe s LYS 110 Cb 0.08 -0.65 -0.09 0.00 -0.52 0.00 0.00 37.83 36.66 1afe s LYS 110 CO 0.69 0.12 1.34 -2.14 -0.92 0.00 0.00 175.35 174.44 1afe s PRO 111 N -2.27 3.91 0.13 -1.68 0.02 -1.26 -4.87 135.00 128.99 1afe s PRO 111 Ca 0.01 2.23 -0.04 0.00 0.02 0.00 0.00 61.00 63.23 1afe s PRO 111 Cb -0.06 -2.75 -0.05 0.00 0.02 0.00 0.00 34.50 31.66 1afe s PRO 111 CO 0.01 -0.57 0.35 0.54 -0.33 0.00 0.00 177.00 177.01 1afe s VAL 112 N -1.24 5.20 -0.04 3.83 0.11 -0.12 -5.01 120.40 123.12 1afe s VAL 112 Ca 0.58 -0.06 -0.15 0.00 -2.93 0.00 0.00 61.98 59.42 1afe s VAL 112 Cb -0.40 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 30.77 1afe s VAL 112 CO 0.51 0.04 0.39 0.00 -3.33 0.00 0.00 175.10 172.71 1afe s ALA 113 N -1.65 3.66 0.62 1.54 0.00 -1.26 -4.79 121.76 119.88 1afe s ALA 113 Ca 0.40 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 1afe s ALA 113 Cb -0.12 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1afe s ALA 113 CO 0.25 0.38 1.07 -0.06 0.00 0.00 0.00 175.76 177.40 1afe s PHE 114 N -0.66 2.93 0.09 0.00 0.08 -1.26 -4.90 117.98 114.27 1afe s PHE 114 Ca 0.23 1.51 -0.03 0.00 0.12 0.00 0.00 56.93 58.76 1afe s PHE 114 Cb -0.16 -3.02 0.01 0.00 -0.57 0.00 0.00 43.02 39.29 1afe s PHE 114 CO 0.11 -1.24 0.17 -1.13 -0.10 0.00 0.00 175.22 173.03 1afe n SER 115 N -2.28 -0.48 0.24 1.36 3.41 -0.42 -4.96 113.62 110.48 1afe n SER 115 Ca 0.09 -1.39 0.10 0.00 -0.26 0.00 0.00 58.87 57.41 1afe n SER 115 Cb 0.53 0.82 0.66 0.00 -0.26 0.00 0.00 64.21 65.96 1afe n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1afe h ASP 116 N 0.46 0.00 -0.01 4.04 3.32 -1.99 -3.09 116.42 119.15 1afe h ASP 116 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1afe h ASP 116 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1afe h ASP 116 CO 0.10 0.00 -0.33 -1.22 -1.72 0.00 0.00 179.24 176.07 1afe n TYR 117 N -4.48 0.00 -3.73 4.55 4.01 -1.26 -4.81 117.16 111.44 1afe n TYR 117 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 1afe n TYR 117 Cb 0.14 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.00 1afe n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1afe s ILE 118 N -1.96 0.53 -0.27 -0.72 1.01 -1.17 -4.05 121.20 114.57 1afe s ILE 118 Ca 0.15 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 60.00 1afe s ILE 118 Cb 0.14 -1.05 0.08 0.00 0.01 0.00 0.00 42.46 41.64 1afe s ILE 118 CO 0.42 -0.22 0.73 -2.28 0.00 0.00 0.00 174.94 173.59 1afe s HIS 119 N 1.85 -0.84 0.56 3.97 2.46 -0.96 -1.30 115.29 121.03 1afe s HIS 119 Ca -0.01 1.93 -0.17 0.00 0.47 0.00 0.00 55.06 57.28 1afe s HIS 119 Cb -0.17 0.37 -0.05 0.00 -0.13 0.00 0.00 32.58 32.60 1afe s HIS 119 CO -0.08 -0.41 1.05 -1.25 -2.47 0.00 0.00 174.74 171.58 1afe s PRO 120 N 0.71 3.48 0.36 2.88 0.04 -1.26 -2.81 135.00 138.40 1afe s PRO 120 Ca -0.03 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.22 1afe s PRO 120 Cb -0.05 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1afe s PRO 120 CO -0.05 -0.68 0.61 0.54 0.04 0.00 0.00 177.00 177.46 1afe s VAL 121 N -2.33 5.03 0.39 -0.36 0.11 -0.54 -4.91 120.40 117.78 1afe s VAL 121 Ca 0.64 -0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.43 1afe s VAL 121 Cb -0.16 -3.81 -0.09 0.00 -1.53 0.00 0.00 36.38 30.79 1afe s VAL 121 CO 0.32 -0.54 0.82 0.00 -3.33 0.00 0.00 175.10 172.37 1afe s LEU 123 N -3.37 4.39 0.59 0.00 1.43 -1.26 -0.69 118.68 119.77 1afe s LEU 123 Ca 0.56 0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 54.12 1afe s LEU 123 Cb -0.10 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1afe s LEU 123 CO 0.22 0.31 1.15 -2.16 0.23 0.00 0.00 176.35 176.10 1afe s PRO 124 N -0.72 3.06 0.33 1.29 0.04 -1.26 -4.94 135.00 132.80 1afe s PRO 124 Ca 0.18 1.62 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1afe s PRO 124 Cb -0.14 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1afe s PRO 124 CO 0.07 -1.08 0.40 0.16 0.04 0.00 0.00 177.00 176.59 1afe s ASP 125 N -1.94 5.74 0.28 6.66 1.47 -1.26 -4.91 116.67 122.70 1afe s ASP 125 Ca 0.73 -0.29 0.01 0.00 1.18 0.00 0.00 52.55 54.18 1afe s ASP 125 Cb -0.25 -1.16 0.60 0.00 -0.34 0.00 0.00 42.92 41.78 1afe s ASP 125 CO 0.33 -0.39 1.77 -0.09 0.68 0.00 0.00 175.17 177.46 1afe h ARG 126 N 1.03 0.65 0.04 2.11 2.43 -1.98 -2.05 114.38 116.61 1afe h ARG 126 Ca -0.46 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.45 1afe h ARG 126 Cb 1.25 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1afe h ARG 126 CO 0.55 0.43 -1.04 1.05 -1.51 0.00 0.00 179.97 179.46 1afe h GLU 127 N 0.67 0.11 -0.41 0.20 9.09 -2.04 -0.35 114.58 121.86 1afe h GLU 127 Ca 0.50 -0.18 0.00 0.00 0.05 0.00 0.00 59.36 59.74 1afe h GLU 127 Cb 0.74 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1afe h GLU 127 CO -0.37 1.04 0.00 2.41 0.05 0.00 0.00 179.01 182.14 1afe n THR 128 N -3.48 0.03 0.00 -1.06 -1.04 -0.77 -1.02 114.28 106.94 1afe n THR 128 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1afe n THR 128 Cb 0.93 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 1afe n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1afe n ALA 129 N 0.42 0.00 0.10 2.41 0.00 -0.14 -1.06 120.51 122.23 1afe n ALA 129 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1afe n ALA 129 Cb 0.07 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.72 1afe n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1afe h SER 129 N 0.00 0.22 0.00 0.00 4.64 -1.34 -3.36 113.55 113.71 1afe h SER 129 Ca 0.00 -0.10 -0.23 0.00 -0.47 0.00 0.00 61.79 60.98 1afe h SER 129 Cb 0.00 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 1afe h SER 129 CO 0.00 0.67 -2.07 0.18 -0.87 0.00 0.00 176.83 174.74 1afe n LEU 129 N -3.97 0.00 -4.23 5.97 4.77 -0.23 -4.74 117.00 114.57 1afe n LEU 129 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 1afe n LEU 129 Cb 0.52 0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1afe n LEU 129 CO 0.42 0.31 2.26 0.18 -1.33 0.00 0.00 177.39 179.24 1afe n LEU 130 N -2.50 5.70 -4.10 2.23 4.77 -1.26 -4.82 117.00 117.02 1afe n LEU 130 Ca -0.22 -4.00 -0.20 0.00 -0.03 0.00 0.00 56.01 51.57 1afe n LEU 130 Cb 0.91 -1.71 -0.14 0.00 -2.33 0.00 0.00 43.42 40.15 1afe n LEU 130 CO 0.36 0.52 -0.45 -1.10 -1.33 0.00 0.00 177.39 175.39 1afe s GLN 131 N 3.83 0.89 0.23 3.23 -0.21 -1.26 -4.97 119.66 121.41 1afe s GLN 131 Ca 0.51 -0.59 -0.32 0.00 0.02 0.00 0.00 55.36 54.98 1afe s GLN 131 Cb 0.08 -0.87 -0.13 0.00 1.00 0.00 0.00 33.01 33.09 1afe s GLN 131 CO 0.01 0.22 1.56 0.00 -2.12 0.00 0.00 175.29 174.96 1afe n ALA 132 N 2.29 1.85 0.00 6.09 0.00 -1.26 -0.73 120.51 128.75 1afe n ALA 132 Ca -0.16 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1afe n ALA 132 Cb 0.55 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1afe n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1afe n GLY 133 N 2.79 3.01 3.77 0.00 0.00 0.19 -4.95 105.19 110.00 1afe n GLY 133 Ca 0.13 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1afe n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1afe s TYR 134 N -2.55 3.00 0.06 1.61 1.51 0.09 -4.59 117.35 116.48 1afe s TYR 134 Ca 0.00 1.49 -0.01 0.00 -1.01 0.00 0.00 57.07 57.53 1afe s TYR 134 Cb 0.00 -3.54 -0.04 0.00 -0.11 0.00 0.00 41.96 38.27 1afe s TYR 134 CO 0.00 -1.65 0.23 0.15 -1.11 0.00 0.00 175.55 173.16 1afe s LYS 135 N -2.14 3.47 0.40 -0.62 1.02 -1.26 -0.71 119.74 119.90 1afe s LYS 135 Ca 0.55 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.21 1afe s LYS 135 Cb -0.35 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1afe s LYS 135 CO 0.45 0.61 0.13 0.41 -0.92 0.00 0.00 175.35 176.02 1afe n GLY 136 N 0.40 3.30 3.01 -3.33 0.00 -0.18 -4.88 105.19 103.52 1afe n GLY 136 Ca -0.06 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.62 1afe n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1afe s ARG 137 N -3.53 0.98 0.00 1.61 3.52 -0.23 -0.11 118.95 121.19 1afe s ARG 137 Ca 0.18 -0.32 0.08 0.00 -0.13 0.00 0.00 55.73 55.54 1afe s ARG 137 Cb 0.01 -0.91 -0.02 0.00 -1.56 0.00 0.00 34.95 32.46 1afe s ARG 137 CO 0.13 0.13 -0.25 0.08 -0.81 0.00 0.00 175.30 174.58 1afe s VAL 138 N 0.14 2.19 0.10 7.11 1.01 0.26 -0.72 120.40 130.48 1afe s VAL 138 Ca -0.02 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1afe s VAL 138 Cb -0.08 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1afe s VAL 138 CO 0.00 0.49 -0.09 0.42 0.00 0.00 0.00 175.10 175.92 1afe s THR 139 N -0.70 0.90 0.00 3.92 -4.23 -1.25 -1.61 115.64 112.67 1afe s THR 139 Ca 0.11 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1afe s THR 139 Cb -0.10 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1afe s THR 139 CO 0.00 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1afe n GLY 140 N 0.49 0.44 1.10 3.99 0.00 -1.00 -4.62 105.19 105.58 1afe n GLY 140 Ca -0.16 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.81 1afe n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1afe n TRP 141 N -0.75 1.11 -1.03 1.61 8.01 -1.26 -1.91 117.44 123.21 1afe n TRP 141 Ca 0.00 -0.75 -0.30 0.00 -1.31 0.00 0.00 57.50 55.13 1afe n TRP 141 Cb 0.00 -0.29 0.25 0.00 -2.01 0.00 0.00 31.31 29.27 1afe n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1afe s GLY 142 N -1.46 1.58 0.70 6.99 0.00 -1.26 -4.69 107.32 109.18 1afe s GLY 142 Ca 0.42 -1.05 -0.16 0.00 0.00 0.00 0.00 44.72 43.92 1afe s GLY 142 CO 0.13 -0.11 1.03 0.70 0.00 0.00 0.00 173.10 174.85 1afe n ASN 143 N -4.92 0.80 0.07 1.64 3.02 0.14 -3.12 115.26 112.90 1afe n ASN 143 Ca 0.15 0.71 0.12 0.00 -0.03 0.00 0.00 54.58 55.52 1afe n ASN 143 Cb 0.60 -1.43 0.18 0.00 -0.61 0.00 0.00 39.78 38.51 1afe n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1afe h LEU 144 N -0.07 0.00 -7.57 3.41 3.38 -1.02 0.77 115.31 114.21 1afe h LEU 144 Ca -0.48 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.20 1afe h LEU 144 Cb 1.34 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.90 1afe h LEU 144 CO 0.48 0.09 -0.29 -0.54 0.09 0.00 0.00 178.44 178.27 1afe s LYS 145 N -3.18 0.72 0.25 1.13 1.02 -1.26 -4.30 119.74 114.12 1afe s LYS 145 Ca 0.06 -0.38 -0.04 0.00 0.02 0.00 0.00 55.97 55.63 1afe s LYS 145 Cb 0.13 0.31 0.34 0.00 -0.52 0.00 0.00 37.83 38.09 1afe s LYS 145 CO 0.71 -0.21 1.89 1.49 -0.92 0.00 0.00 175.35 178.31 1afe h GLU 146 N 3.59 1.14 -0.60 1.68 4.81 -1.92 -3.36 114.58 119.92 1afe h GLU 146 Ca -0.31 -0.07 -0.32 0.00 -0.13 0.00 0.00 59.36 58.53 1afe h GLU 146 Cb 1.19 -0.26 -0.22 0.00 0.63 0.00 0.00 28.75 30.09 1afe h GLU 146 CO 0.43 0.76 -0.67 2.41 -0.73 0.00 0.00 179.01 181.21 1afe n THR 147 N -4.50 -0.16 0.00 0.32 -1.04 -1.26 -5.00 114.28 102.65 1afe n THR 147 Ca 0.13 -2.31 0.00 0.00 -2.04 0.00 0.00 64.05 59.84 1afe n THR 147 Cb 0.13 0.62 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 1afe n THR 147 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 1afe n TRP 148 N 1.19 0.00 -2.10 -1.42 4.27 -1.26 -5.24 117.44 112.88 1afe n TRP 148 Ca 0.12 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.73 1afe n TRP 148 Cb 0.63 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.58 1afe n TRP 148 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1afe n GLY 150 N 0.00 5.30 3.24 -1.67 0.00 -1.26 -5.12 105.19 105.67 1afe n GLY 150 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1afe n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1afe s GLN 151 N 1.85 2.38 0.72 1.61 -0.21 -1.26 -0.62 119.66 124.12 1afe s GLN 151 Ca 0.00 -0.84 -0.11 0.00 0.02 0.00 0.00 55.36 54.44 1afe s GLN 151 Cb 0.00 -2.02 0.02 0.00 1.00 0.00 0.00 33.01 32.02 1afe s GLN 151 CO 0.00 0.35 1.07 -1.25 -2.12 0.00 0.00 175.29 173.34 1afe s PRO 152 N -0.11 2.70 -0.08 2.91 0.04 -1.26 -4.97 135.00 134.22 1afe s PRO 152 Ca -0.04 1.05 0.11 0.00 0.04 0.00 0.00 61.00 62.16 1afe s PRO 152 Cb -0.13 -1.96 -0.24 0.00 0.04 0.00 0.00 34.50 32.22 1afe s PRO 152 CO 0.03 -1.29 0.52 -1.13 0.04 0.00 0.00 177.00 175.17 1afe n SER 153 N -3.23 0.87 -4.33 6.66 3.41 -1.26 -4.76 113.62 110.98 1afe n SER 153 Ca 0.08 0.32 -0.18 0.00 -0.26 0.00 0.00 58.87 58.83 1afe n SER 153 Cb 0.53 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 1afe n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1afe s VAL 154 N -2.57 1.51 0.18 -3.33 0.11 -1.26 -1.20 120.40 113.83 1afe s VAL 154 Ca -0.08 -2.14 -0.33 0.00 -2.93 0.00 0.00 61.98 56.50 1afe s VAL 154 Cb 0.08 -2.07 -0.15 0.00 -1.53 0.00 0.00 36.38 32.70 1afe s VAL 154 CO 0.82 -0.57 1.33 -0.11 -3.33 0.00 0.00 175.10 173.24 1afe n LEU 155 N -0.36 2.30 -4.88 2.54 7.94 0.10 -4.83 117.00 119.81 1afe n LEU 155 Ca -0.08 1.13 -0.21 0.00 -1.11 0.00 0.00 56.01 55.74 1afe n LEU 155 Cb 0.61 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.21 1afe n LEU 155 CO 0.35 -0.84 -0.10 -1.10 -1.11 0.00 0.00 177.39 174.58 1afe s GLN 156 N -0.08 3.04 -0.02 1.96 -1.52 -0.80 -0.75 119.66 121.49 1afe s GLN 156 Ca 0.74 -1.01 -0.05 0.00 -1.95 0.00 0.00 55.36 53.09 1afe s GLN 156 Cb -0.77 -2.66 0.00 0.00 -0.22 0.00 0.00 33.01 29.36 1afe s GLN 156 CO 0.48 0.33 0.11 0.54 -0.25 0.00 0.00 175.29 176.51 1afe s VAL 157 N -2.12 0.05 -0.14 1.09 0.11 0.76 -2.38 120.40 117.76 1afe s VAL 157 Ca 0.35 -0.38 -0.15 0.00 -2.93 0.00 0.00 61.98 58.88 1afe s VAL 157 Cb -0.08 -0.29 0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1afe s VAL 157 CO 0.27 -0.21 0.42 0.54 -3.33 0.00 0.00 175.10 172.79 1afe s VAL 158 N -0.68 0.01 -0.19 2.04 0.11 -0.63 -1.57 120.40 119.48 1afe s VAL 158 Ca -0.08 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.85 1afe s VAL 158 Cb -0.05 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1afe s VAL 158 CO 0.01 -0.02 0.07 0.20 -3.33 0.00 0.00 175.10 172.02 1afe s ASN 159 N 0.04 5.65 0.05 3.54 0.01 -1.26 -0.57 114.94 122.39 1afe s ASN 159 Ca -0.02 0.07 0.03 0.00 -0.71 0.00 0.00 52.86 52.24 1afe s ASN 159 Cb -0.03 -1.98 -0.02 0.00 0.41 0.00 0.00 41.25 39.63 1afe s ASN 159 CO 0.01 0.15 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.90 1afe s LEU 160 N 0.49 2.23 0.24 0.60 1.43 0.84 -4.92 118.68 119.59 1afe s LEU 160 Ca 0.04 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 52.39 1afe s LEU 160 Cb -0.13 -0.32 -0.09 0.00 0.03 0.00 0.00 46.19 45.69 1afe s LEU 160 CO 0.01 -0.12 0.80 -2.16 0.23 0.00 0.00 176.35 175.10 1afe s PRO 161 N -1.45 4.40 0.28 1.29 0.04 -1.26 -1.01 135.00 137.29 1afe s PRO 161 Ca -0.06 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 1afe s PRO 161 Cb -0.09 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.42 1afe s PRO 161 CO 0.01 0.40 1.14 0.42 0.04 0.00 0.00 177.00 179.00 1afe s ILE 162 N -1.48 3.37 0.05 0.56 1.01 0.11 -1.44 121.20 123.38 1afe s ILE 162 Ca 0.44 1.37 0.02 0.00 0.00 0.00 0.00 60.65 62.48 1afe s ILE 162 Cb -0.18 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1afe s ILE 162 CO 0.23 0.32 0.04 -0.69 0.00 0.00 0.00 174.94 174.84 1afe s VAL 163 N -1.09 4.37 0.23 2.92 1.01 -0.74 -0.64 120.40 126.47 1afe s VAL 163 Ca 0.46 -0.71 -0.32 0.00 0.00 0.00 0.00 61.98 61.41 1afe s VAL 163 Cb -0.33 -3.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.88 1afe s VAL 163 CO 0.43 0.22 1.60 -0.62 0.00 0.00 0.00 175.10 176.73 1afe n GLU 164 N 0.83 2.51 -0.33 2.72 4.71 -1.26 -4.62 120.64 125.19 1afe n GLU 164 Ca -0.11 0.90 0.19 0.00 -0.01 0.00 0.00 57.16 58.12 1afe n GLU 164 Cb 0.52 -2.68 0.39 0.00 -1.01 0.00 0.00 31.44 28.67 1afe n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1afe h ARG 165 N 5.52 0.41 -0.65 3.49 3.08 -1.98 -1.80 114.38 122.45 1afe h ARG 165 Ca -0.45 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.52 1afe h ARG 165 Cb 1.23 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 1afe h ARG 165 CO 0.86 0.27 0.19 -1.35 -1.07 0.00 0.00 179.97 178.87 1afe h PRO 166 N 0.43 1.02 -0.62 0.04 0.11 -2.00 -1.64 132.00 129.35 1afe h PRO 166 Ca 0.65 -0.23 -0.06 0.00 0.11 0.00 0.00 66.00 66.47 1afe h PRO 166 Cb 1.34 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1afe h PRO 166 CO -0.55 0.90 0.14 0.28 -0.21 0.00 0.00 178.00 178.56 1afe h VAL 167 N 0.95 1.25 0.17 3.15 2.07 -1.73 -1.50 116.25 120.60 1afe h VAL 167 Ca 0.21 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1afe h VAL 167 Cb 0.32 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1afe h VAL 167 CO -0.00 0.35 -0.22 0.00 0.02 0.00 0.00 177.57 177.71 1afe h LYS 169 N -0.45 1.09 0.00 0.00 1.57 -1.21 -2.80 116.57 114.78 1afe h LYS 169 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1afe h LYS 169 Cb 0.44 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1afe h LYS 169 CO -0.09 0.72 0.00 -0.25 -0.57 0.00 0.00 179.45 179.26 1afe n ASP 170 N -4.52 0.00 -0.10 0.86 8.00 -0.57 -2.68 116.55 117.53 1afe n ASP 170 Ca 0.12 -0.11 0.11 0.00 0.71 0.00 0.00 54.79 55.62 1afe n ASP 170 Cb 0.10 -0.25 0.01 0.00 -0.02 0.00 0.00 41.12 40.96 1afe n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1afe n SER 171 N -1.25 1.08 -4.16 -2.24 3.41 -1.05 -4.96 113.62 104.44 1afe n SER 171 Ca 0.11 -0.93 -0.11 0.00 -0.26 0.00 0.00 58.87 57.68 1afe n SER 171 Cb 0.16 0.69 -0.09 0.00 -0.26 0.00 0.00 64.21 64.71 1afe n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1afe s THR 172 N -2.87 0.01 -1.27 6.66 -1.32 -1.09 -4.90 115.64 110.86 1afe s THR 172 Ca 0.12 -1.88 0.22 0.00 -1.21 0.00 0.00 61.69 58.93 1afe s THR 172 Cb 0.17 -2.41 -0.16 0.00 -1.51 0.00 0.00 72.50 68.59 1afe s THR 172 CO 0.76 -0.03 0.98 0.54 -2.21 0.00 0.00 174.62 174.65 1afe n ARG 173 N -0.28 0.31 -2.56 7.08 1.74 -1.26 -4.93 116.66 116.77 1afe n ARG 173 Ca 0.01 -0.25 -0.38 0.00 -0.77 0.00 0.00 57.85 56.45 1afe n ARG 173 Cb 0.65 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.55 1afe n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1afe s ILE 174 N -2.87 3.71 -0.36 0.55 1.09 -1.26 -5.00 121.20 117.06 1afe s ILE 174 Ca 0.11 1.52 -0.29 0.00 -1.10 0.00 0.00 60.65 60.89 1afe s ILE 174 Cb 0.17 -3.89 0.01 0.00 -1.06 0.00 0.00 42.46 37.69 1afe s ILE 174 CO 0.78 0.21 1.35 -0.60 -0.10 0.00 0.00 174.94 176.58 1afe s ARG 175 N -1.91 3.73 0.08 2.79 3.52 -1.26 -5.02 118.95 120.89 1afe s ARG 175 Ca 0.50 1.06 -0.28 0.00 -0.13 0.00 0.00 55.73 56.88 1afe s ARG 175 Cb -0.26 -3.95 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 1afe s ARG 175 CO 0.33 -1.36 0.90 0.42 -0.81 0.00 0.00 175.30 174.78 1afe s ILE 176 N 4.91 4.62 0.49 4.11 -1.09 -1.26 -4.87 121.20 128.11 1afe s ILE 176 Ca 0.58 1.92 0.07 0.00 -2.23 0.00 0.00 60.65 60.99 1afe s ILE 176 Cb -0.15 -4.25 0.01 0.00 -1.58 0.00 0.00 42.46 36.49 1afe s ILE 176 CO 0.28 0.32 0.39 0.42 -1.23 0.00 0.00 174.94 175.12 1afe s THR 177 N 0.09 2.05 -0.58 2.92 -4.23 -1.26 -4.99 115.64 109.64 1afe s THR 177 Ca 0.45 -1.44 0.22 0.00 -1.18 0.00 0.00 61.69 59.74 1afe s THR 177 Cb -0.22 -2.49 0.23 0.00 1.34 0.00 0.00 72.50 71.35 1afe s THR 177 CO 0.27 0.00 1.68 0.47 -0.54 0.00 0.00 174.62 176.50 1afe n ASP 178 N -1.67 0.56 -0.69 3.99 8.00 -1.26 -2.47 116.55 123.02 1afe n ASP 178 Ca 0.01 0.63 0.03 0.00 0.71 0.00 0.00 54.79 56.17 1afe n ASP 178 Cb 0.63 -0.75 0.12 0.00 -0.02 0.00 0.00 41.12 41.10 1afe n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1afe n ASN 179 N -2.11 1.90 -4.17 -2.24 3.02 -1.26 -4.86 115.26 105.53 1afe n ASN 179 Ca 0.03 -2.15 -0.10 0.00 -0.03 0.00 0.00 54.58 52.32 1afe n ASN 179 Cb 0.23 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 1afe n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1afe s MET 180 N -1.63 0.87 0.08 3.52 -1.94 -1.03 -1.62 119.30 117.55 1afe s MET 180 Ca 0.17 -1.38 -0.09 0.00 -1.71 0.00 0.00 55.69 52.68 1afe s MET 180 Cb 0.11 -0.06 -0.00 0.00 2.01 0.00 0.00 34.83 36.88 1afe s MET 180 CO 0.08 -0.10 0.19 -0.59 -0.01 0.00 0.00 175.02 174.58 1afe s PHE 181 N -3.76 0.13 0.19 -0.03 -0.12 -0.75 -4.84 117.98 108.80 1afe s PHE 181 Ca 0.16 -0.52 0.11 0.00 -0.05 0.00 0.00 56.93 56.63 1afe s PHE 181 Cb 0.06 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1afe s PHE 181 CO -0.03 -0.51 -0.24 0.00 -0.05 0.00 0.00 175.22 174.39 1afe s ALA 183 N -1.72 -0.40 0.00 0.00 0.00 0.15 -1.79 121.76 118.00 1afe s ALA 183 Ca 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1afe s ALA 183 Cb -0.08 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1afe s ALA 183 CO 0.10 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1afe n GLY 184 N 0.51 3.54 3.86 0.00 0.00 -0.52 -1.51 105.19 111.07 1afe n GLY 184 Ca -0.18 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1afe n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1afe s TYR 184 N -2.00 3.46 0.42 1.61 2.02 -1.26 -4.51 117.35 117.09 1afe s TYR 184 Ca 0.00 1.27 -0.15 0.00 -0.37 0.00 0.00 57.07 57.82 1afe s TYR 184 Cb 0.00 -2.63 -0.08 0.00 -0.40 0.00 0.00 41.96 38.84 1afe s TYR 184 CO 0.00 -0.26 0.86 0.15 -1.57 0.00 0.00 175.55 174.73 1afe s LYS 185 N -4.00 3.97 0.55 -0.62 1.02 -1.26 -4.84 119.74 114.56 1afe s LYS 185 Ca 0.55 0.78 0.25 0.00 0.02 0.00 0.00 55.97 57.57 1afe s LYS 185 Cb -0.10 -2.29 1.49 0.00 -0.52 0.00 0.00 37.83 36.42 1afe s LYS 185 CO 0.32 -0.06 2.09 -1.35 -0.92 0.00 0.00 175.35 175.43 1afe h PRO 186 N 1.51 0.00 0.29 -1.68 0.11 -1.96 -0.14 132.00 130.13 1afe h PRO 186 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1afe h PRO 186 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1afe h PRO 186 CO 0.63 0.00 -0.14 0.22 -0.21 0.00 0.00 178.00 178.50 1afe h ASP 186 N 0.00 -0.33 -0.23 -2.05 1.82 -1.96 -3.30 116.42 110.37 1afe h ASP 186 Ca 0.11 -0.09 0.07 0.00 -0.39 0.00 0.00 57.03 56.73 1afe h ASP 186 Cb 0.50 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1afe h ASP 186 CO -0.00 -0.11 0.54 -0.33 -1.61 0.00 0.00 179.24 177.73 1afe h GLU 186 N -0.53 0.00 -6.32 0.28 5.08 -1.39 -3.46 114.58 108.25 1afe h GLU 186 Ca -0.04 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.87 1afe h GLU 186 Cb 0.39 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.70 1afe h GLU 186 CO 0.06 0.00 -0.94 0.41 -1.00 0.00 0.00 179.01 177.55 1afe n GLY 186 N -1.39 -0.86 3.64 -3.84 0.00 -1.24 -4.97 105.19 96.53 1afe n GLY 186 Ca 0.04 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 1afe n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1afe s LYS 186 N -6.18 0.56 0.00 1.61 2.20 -1.26 -5.17 119.74 111.50 1afe s LYS 186 Ca 0.40 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1afe s LYS 186 Cb -0.15 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1afe s LYS 186 CO 0.87 -0.12 0.00 0.54 -0.36 0.00 0.00 175.35 176.28 1afe n ARG 187 N 4.06 1.88 0.00 4.03 1.74 -1.26 -4.60 116.66 122.51 1afe n ARG 187 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1afe n ARG 187 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 1afe n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1afe n GLY 188 N 3.80 3.91 3.62 -0.13 0.00 -1.25 -4.92 105.19 110.21 1afe n GLY 188 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 1afe n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1afe s ASP 189 N 0.00 -0.13 0.87 1.61 2.15 -0.86 -4.73 116.67 115.59 1afe s ASP 189 Ca 0.00 -0.13 -0.12 0.00 0.43 0.00 0.00 52.55 52.73 1afe s ASP 189 Cb 0.00 0.23 0.12 0.00 -0.30 0.00 0.00 42.92 42.97 1afe s ASP 189 CO 0.00 -0.41 1.14 0.00 -0.17 0.00 0.00 175.17 175.73 1afe s ALA 190 N -2.62 2.03 0.08 3.66 0.00 -1.26 -0.99 121.76 122.65 1afe s ALA 190 Ca 0.12 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 1afe s ALA 190 Cb 0.02 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1afe s ALA 190 CO -0.04 -2.08 0.14 0.00 0.00 0.00 0.00 175.76 173.79 1afe n GLU 192 N -0.11 1.68 0.00 0.00 -0.58 -1.26 -1.22 120.64 119.14 1afe n GLU 192 Ca -0.01 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1afe n GLU 192 Cb 0.12 -2.23 0.00 0.00 -0.57 0.00 0.00 31.44 28.76 1afe n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1afe n GLY 193 N 2.39 2.77 0.13 0.62 0.00 -1.26 0.24 105.19 110.08 1afe n GLY 193 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1afe n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1afe h ASP 194 N 0.00 0.00 -1.05 1.61 3.32 -1.50 -3.31 116.42 115.49 1afe h ASP 194 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1afe h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1afe h ASP 194 CO 0.00 0.41 -0.55 -1.20 -1.72 0.00 0.00 179.24 176.18 1afe n SER 195 N -3.04 -1.31 0.00 6.45 7.64 -1.26 -1.74 113.62 120.36 1afe n SER 195 Ca -0.02 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1afe n SER 195 Cb 0.72 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1afe n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1afe n GLY 196 N 2.01 2.30 3.79 0.23 0.00 -0.78 -0.82 105.19 111.92 1afe n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1afe n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1afe s GLY 197 N -1.97 1.63 0.18 -0.02 0.00 -0.71 -3.35 107.32 103.07 1afe s GLY 197 Ca 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 44.72 43.74 1afe s GLY 197 CO 0.00 -0.11 0.67 2.56 0.00 0.00 0.00 173.10 176.22 1afe s PRO 198 N -5.47 4.21 -0.27 2.90 0.04 -1.26 -0.48 135.00 134.66 1afe s PRO 198 Ca 0.68 0.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 1afe s PRO 198 Cb -0.11 -2.97 0.03 0.00 0.04 0.00 0.00 34.50 31.50 1afe s PRO 198 CO 0.54 0.46 -0.02 0.12 0.04 0.00 0.00 177.00 178.13 1afe s PHE 199 N -1.42 3.16 0.29 0.56 2.19 -0.12 -3.80 117.98 118.83 1afe s PHE 199 Ca 0.39 -1.64 0.11 0.00 0.33 0.00 0.00 56.93 56.12 1afe s PHE 199 Cb -0.17 -2.09 -0.05 0.00 -1.31 0.00 0.00 43.02 39.39 1afe s PHE 199 CO 0.21 -0.75 -0.16 0.14 1.83 0.00 0.00 175.22 176.49 1afe s VAL 200 N 1.31 2.29 0.05 3.12 -7.23 0.10 -1.12 120.40 118.92 1afe s VAL 200 Ca -0.02 -2.32 0.02 0.00 -1.81 0.00 0.00 61.98 57.85 1afe s VAL 200 Cb -0.18 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1afe s VAL 200 CO -0.02 -0.37 -0.08 -0.04 -0.31 0.00 0.00 175.10 174.28 1afe s MET 201 N -3.56 0.59 -0.24 4.82 -1.94 0.58 -1.07 119.30 118.47 1afe s MET 201 Ca 0.30 -0.85 -0.09 0.00 -1.71 0.00 0.00 55.69 53.33 1afe s MET 201 Cb -0.02 -0.30 -0.04 0.00 2.01 0.00 0.00 34.83 36.48 1afe s MET 201 CO 0.14 0.04 0.12 0.21 -0.01 0.00 0.00 175.02 175.52 1afe s LYS 202 N -1.93 3.86 0.10 2.03 2.20 -1.26 0.41 119.74 125.16 1afe s LYS 202 Ca -0.06 -0.37 -0.31 0.00 -0.36 0.00 0.00 55.97 54.86 1afe s LYS 202 Cb -0.08 -3.44 -0.08 0.00 -1.51 0.00 0.00 37.83 32.73 1afe s LYS 202 CO -0.00 -0.06 1.43 0.45 -0.36 0.00 0.00 175.35 176.80 1afe s SER 203 N 1.34 6.79 0.00 1.43 0.15 0.75 -4.89 113.70 119.27 1afe s SER 203 Ca 0.06 2.34 0.30 0.00 0.70 0.00 0.00 55.95 59.35 1afe s SER 203 Cb -0.15 -2.58 1.54 0.00 -1.71 0.00 0.00 66.02 63.12 1afe s SER 203 CO 0.05 -0.70 2.04 -0.81 1.20 0.00 0.00 173.24 175.03 1afe n PRO 204 N 4.25 0.76 -0.02 5.44 -0.04 -1.26 -0.88 135.00 143.24 1afe n PRO 204 Ca 0.12 -0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.25 1afe n PRO 204 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 1afe n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1afe n PHE 204 N -1.02 1.15 -0.22 0.54 3.72 -1.26 -4.62 117.46 115.75 1afe n PHE 204 Ca 0.18 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.86 1afe n PHE 204 Cb 0.21 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.61 1afe n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1afe n ASN 204 N -3.67 0.90 -0.07 4.37 2.04 -1.23 -5.01 115.26 112.58 1afe n ASN 204 Ca -0.33 -1.12 -0.01 0.00 -0.44 0.00 0.00 54.58 52.68 1afe n ASN 204 Cb 0.97 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 38.22 1afe n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1afe n ASN 205 N -0.06 -4.02 -4.92 0.53 4.13 -0.06 -5.01 115.26 105.84 1afe n ASN 205 Ca 0.00 0.02 -0.27 0.00 1.68 0.00 0.00 54.58 56.02 1afe n ASN 205 Cb 0.09 -1.60 -0.03 0.00 -1.54 0.00 0.00 39.78 36.70 1afe n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1afe s ARG 206 N -0.95 3.55 -0.10 3.52 0.52 -1.25 -4.79 118.95 119.45 1afe s ARG 206 Ca 0.00 -0.21 -0.19 0.00 -0.52 0.00 0.00 55.73 54.82 1afe s ARG 206 Cb 0.00 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 1afe s ARG 206 CO 0.00 0.26 0.50 -1.58 0.02 0.00 0.00 175.30 174.50 1afe s TRP 207 N -2.07 3.54 -0.04 -0.53 0.52 -1.26 -0.18 118.94 118.92 1afe s TRP 207 Ca 0.41 0.95 0.07 0.00 0.02 0.00 0.00 56.10 57.55 1afe s TRP 207 Cb -0.10 -2.57 -0.02 0.00 -1.15 0.00 0.00 33.47 29.63 1afe s TRP 207 CO 0.31 0.20 -0.25 0.71 0.02 0.00 0.00 176.95 177.94 1afe s TYR 208 N 0.50 2.35 -0.40 -1.98 2.02 0.17 -1.83 117.35 118.18 1afe s TYR 208 Ca 0.27 -0.57 -0.22 0.00 -0.37 0.00 0.00 57.07 56.18 1afe s TYR 208 Cb -0.16 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1afe s TYR 208 CO 0.12 -0.12 0.74 -1.14 -1.57 0.00 0.00 175.55 173.57 1afe s GLN 209 N -0.39 3.57 -0.03 -0.62 0.74 0.13 -0.30 119.66 122.75 1afe s GLN 209 Ca 0.03 0.04 0.15 0.00 0.05 0.00 0.00 55.36 55.64 1afe s GLN 209 Cb -0.12 -3.87 -0.21 0.00 1.10 0.00 0.00 33.01 29.92 1afe s GLN 209 CO 0.01 -0.93 0.61 -1.33 -0.55 0.00 0.00 175.29 173.10 1afe n MET 210 N 6.43 0.64 -4.20 1.67 2.81 -0.27 -4.38 117.12 119.81 1afe n MET 210 Ca 0.01 0.20 -0.12 0.00 -1.81 0.00 0.00 57.70 55.99 1afe n MET 210 Cb 0.48 -1.74 -0.10 0.00 -0.71 0.00 0.00 33.22 31.15 1afe n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1afe s GLY 211 N -5.05 1.23 -0.09 3.03 0.00 -0.96 -1.74 107.32 103.74 1afe s GLY 211 Ca -0.05 -1.60 0.03 0.00 0.00 0.00 0.00 44.72 43.11 1afe s GLY 211 CO 0.82 -1.43 -0.20 -0.42 0.00 0.00 0.00 173.10 171.87 1afe s ILE 212 N -3.97 1.78 -0.16 0.90 1.01 -1.05 -0.95 121.20 118.76 1afe s ILE 212 Ca 0.29 -0.85 -0.34 0.00 0.00 0.00 0.00 60.65 59.76 1afe s ILE 212 Cb 0.07 -1.56 -0.11 0.00 0.01 0.00 0.00 42.46 40.88 1afe s ILE 212 CO 0.06 0.50 1.99 0.52 0.00 0.00 0.00 174.94 178.01 1afe n VAL 213 N 3.65 0.47 0.00 2.92 0.31 0.36 -1.34 118.33 124.71 1afe n VAL 213 Ca -0.20 -0.19 -0.03 0.00 -0.01 0.00 0.00 64.34 63.91 1afe n VAL 213 Cb 0.53 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 1afe n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1afe n SER 214 N 8.03 1.26 -3.62 4.52 2.88 -0.60 -1.87 113.62 124.22 1afe n SER 214 Ca 0.27 0.18 -0.11 0.00 -1.33 0.00 0.00 58.87 57.89 1afe n SER 214 Cb 0.30 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 63.28 1afe n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1afe s TRP 215 N -2.18 -0.25 -0.12 0.66 1.48 -1.04 -4.94 118.94 112.56 1afe s TRP 215 Ca -0.09 -0.05 -0.30 0.00 -1.06 0.00 0.00 56.10 54.60 1afe s TRP 215 Cb 0.01 0.37 0.12 0.00 -1.16 0.00 0.00 33.47 32.81 1afe s TRP 215 CO 0.13 -0.80 1.00 0.20 -4.06 0.00 0.00 176.95 173.41 1afe s GLY 216 N -2.81 -0.32 -0.59 3.67 0.00 -1.26 -0.92 107.32 105.09 1afe s GLY 216 Ca 0.04 1.70 -0.19 0.00 0.00 0.00 0.00 44.72 46.28 1afe s GLY 216 CO -0.09 0.77 0.69 -0.54 0.00 0.00 0.00 173.10 173.93 1afe s GLU 217 N -1.84 3.05 1.67 2.90 2.02 -1.26 -4.91 118.70 120.32 1afe s GLU 217 Ca 0.02 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.63 1afe s GLU 217 Cb -0.01 -4.28 0.00 0.00 0.10 0.00 0.00 34.13 29.94 1afe s GLU 217 CO -0.02 -1.53 0.00 0.41 0.02 0.00 0.00 175.26 174.14 1afe n GLY 219 N 5.27 -1.41 2.89 -1.39 0.00 -1.26 -4.69 105.19 104.60 1afe n GLY 219 Ca -0.09 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 1afe n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1afe n ASP 221 N 4.60 -5.88 -4.77 0.00 2.03 -1.26 -4.61 116.55 106.66 1afe n ASP 221 Ca -0.16 -0.28 -0.39 0.00 0.52 0.00 0.00 54.79 54.48 1afe n ASP 221 Cb 0.50 -4.69 -0.06 0.00 -0.72 0.00 0.00 41.12 36.15 1afe n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1afe s ARG 221 N -5.66 4.68 0.26 -0.67 0.52 -1.26 -4.93 118.95 111.88 1afe s ARG 221 Ca 0.30 1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 56.53 1afe s ARG 221 Cb -0.13 -3.14 -0.10 0.00 0.52 0.00 0.00 34.95 32.10 1afe s ARG 221 CO 0.37 0.47 1.38 -0.51 0.02 0.00 0.00 175.30 177.03 1afe s ASP 222 N -1.30 6.74 0.00 0.23 1.11 -1.26 -2.20 116.67 119.99 1afe s ASP 222 Ca 0.42 2.61 0.00 0.00 0.18 0.00 0.00 52.55 55.76 1afe s ASP 222 Cb -0.23 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.13 1afe s ASP 222 CO 0.28 -0.62 0.00 0.61 1.18 0.00 0.00 175.17 176.62 1afe n GLY 223 N 1.89 1.49 3.68 0.21 0.00 -1.26 -5.01 105.19 106.18 1afe n GLY 223 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1afe n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afe s LYS 224 N -0.06 2.44 0.23 1.61 -0.14 -0.93 -4.80 119.74 118.08 1afe s LYS 224 Ca 0.00 -1.24 0.02 0.00 -1.36 0.00 0.00 55.97 53.38 1afe s LYS 224 Cb 0.00 -2.30 -0.05 0.00 -1.68 0.00 0.00 37.83 33.80 1afe s LYS 224 CO 0.00 0.40 0.05 0.71 -0.76 0.00 0.00 175.35 175.76 1afe s TYR 225 N -2.07 1.42 -0.04 3.18 2.02 -1.26 -4.76 117.35 115.85 1afe s TYR 225 Ca 0.30 -1.10 -0.09 0.00 -0.37 0.00 0.00 57.07 55.82 1afe s TYR 225 Cb -0.08 -0.83 -0.05 0.00 -0.40 0.00 0.00 41.96 40.61 1afe s TYR 225 CO 0.20 -0.26 0.26 0.20 -1.57 0.00 0.00 175.55 174.38 1afe s GLY 226 N -3.26 2.28 -0.12 0.71 0.00 -0.57 -4.48 107.32 101.88 1afe s GLY 226 Ca 0.32 -0.50 -0.04 0.00 0.00 0.00 0.00 44.72 44.50 1afe s GLY 226 CO 0.10 -0.25 0.03 -1.36 0.00 0.00 0.00 173.10 171.62 1afe s PHE 227 N -1.15 3.23 0.04 1.90 0.40 -0.09 0.30 117.98 122.61 1afe s PHE 227 Ca 0.22 0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.77 1afe s PHE 227 Cb -0.14 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1afe s PHE 227 CO 0.11 0.38 -0.16 0.71 0.70 0.00 0.00 175.22 176.97 1afe s TYR 228 N -0.49 1.37 0.19 0.36 1.51 0.17 -1.56 117.35 118.90 1afe s TYR 228 Ca 0.09 -0.36 -0.31 0.00 -1.01 0.00 0.00 57.07 55.48 1afe s TYR 228 Cb -0.12 -0.81 -0.09 0.00 -0.11 0.00 0.00 41.96 40.83 1afe s TYR 228 CO 0.02 0.05 1.44 0.99 -1.11 0.00 0.00 175.55 176.95 1afe s THR 229 N -0.87 2.88 -0.87 -0.71 2.01 -0.45 -1.81 115.64 115.82 1afe s THR 229 Ca 0.03 0.68 -0.23 0.00 0.31 0.00 0.00 61.69 62.47 1afe s THR 229 Cb -0.08 -3.43 0.06 0.00 0.01 0.00 0.00 72.50 69.05 1afe s THR 229 CO 0.01 0.08 1.28 -2.28 -0.69 0.00 0.00 174.62 173.02 1afe s HIS 230 N 0.58 2.58 0.18 4.92 2.46 -0.64 -2.51 115.29 122.86 1afe s HIS 230 Ca 0.63 -0.67 -0.13 0.00 0.47 0.00 0.00 55.06 55.36 1afe s HIS 230 Cb -0.40 -4.55 0.12 0.00 -0.13 0.00 0.00 32.58 27.62 1afe s HIS 230 CO 0.36 -1.86 1.80 0.28 -2.47 0.00 0.00 174.74 172.85 1afe h VAL 231 N 6.30 1.01 -0.65 0.89 2.07 -1.66 -2.37 116.25 121.84 1afe h VAL 231 Ca -0.01 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1afe h VAL 231 Cb 1.03 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1afe h VAL 231 CO 1.30 0.10 0.37 0.15 0.02 0.00 0.00 177.57 179.52 1afe h PHE 232 N 0.57 0.69 0.00 1.57 3.57 -1.88 -0.82 116.94 120.65 1afe h PHE 232 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1afe h PHE 232 Cb 0.07 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1afe h PHE 232 CO -0.08 0.35 0.05 0.00 -2.23 0.00 0.00 178.31 176.40 1afe h ARG 233 N 0.70 0.00 -0.17 1.11 2.47 -1.81 0.15 114.38 116.84 1afe h ARG 233 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1afe h ARG 233 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1afe h ARG 233 CO -0.16 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.65 1afe n LEU 234 N -2.75 2.34 -0.34 3.04 4.77 -0.42 -4.70 117.00 118.94 1afe n LEU 234 Ca -0.02 -1.52 0.12 0.00 -0.03 0.00 0.00 56.01 54.56 1afe n LEU 234 Cb 0.10 -0.11 0.31 0.00 -2.33 0.00 0.00 43.42 41.39 1afe n LEU 234 CO 0.15 0.54 1.16 0.50 -1.33 0.00 0.00 177.39 178.41 1afe h LYS 235 N 1.84 0.68 -0.42 3.23 3.64 0.39 -1.90 116.57 124.03 1afe h LYS 235 Ca 0.00 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1afe h LYS 235 Cb 0.56 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1afe h LYS 235 CO 0.00 0.45 0.24 0.87 -2.27 0.00 0.00 179.45 178.74 1afe h LYS 236 N 0.70 0.48 -0.65 1.90 1.79 -1.84 0.14 116.57 119.09 1afe h LYS 236 Ca 0.56 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.99 1afe h LYS 236 Cb 0.90 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.41 1afe h LYS 236 CO -0.40 0.32 0.36 2.35 -1.08 0.00 0.00 179.45 181.00 1afe h TRP 237 N 0.49 0.86 0.07 -1.35 7.01 -1.71 -2.15 115.95 119.18 1afe h TRP 237 Ca 0.17 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 1afe h TRP 237 Cb 0.01 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1afe h TRP 237 CO -0.07 0.60 -0.03 0.82 -2.79 0.00 0.00 178.44 176.96 1afe h ILE 238 N 0.90 0.96 -0.21 2.65 2.04 -0.49 -1.67 117.51 121.69 1afe h ILE 238 Ca 0.23 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 66.05 1afe h ILE 238 Cb 0.01 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1afe h ILE 238 CO -0.04 0.02 -0.07 1.56 0.00 0.00 0.00 178.15 179.63 1afe h GLN 239 N -0.13 -0.02 -0.02 2.37 4.20 -0.78 -0.05 115.11 120.68 1afe h GLN 239 Ca -0.01 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1afe h GLN 239 Cb 0.10 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.83 1afe h GLN 239 CO 0.01 -0.01 -0.51 -0.22 -0.67 0.00 0.00 178.83 177.43 1afe h LYS 240 N -0.02 -0.61 -0.65 1.46 3.64 -1.32 0.33 116.57 119.39 1afe h LYS 240 Ca 0.10 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1afe h LYS 240 Cb 0.18 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1afe h LYS 240 CO -0.23 -0.41 0.40 -0.24 -2.27 0.00 0.00 179.45 176.70 1afe h VAL 241 N -0.64 1.07 -0.61 2.00 3.04 -0.68 0.15 116.25 120.58 1afe h VAL 241 Ca 0.03 -0.27 -0.08 0.00 -1.01 0.00 0.00 66.70 65.37 1afe h VAL 241 Cb 0.70 0.22 -0.02 0.00 -2.01 0.00 0.00 31.29 30.18 1afe h VAL 241 CO -0.36 0.14 0.08 0.40 -1.01 0.00 0.00 177.57 176.82 1afe h ILE 242 N 0.78 1.26 -0.13 3.17 2.04 -0.44 -2.43 117.51 121.75 1afe h ILE 242 Ca 0.27 -1.02 -0.20 0.00 1.00 0.00 0.00 64.86 64.91 1afe h ILE 242 Cb 0.04 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1afe h ILE 242 CO -0.12 0.38 -0.72 -2.24 0.00 0.00 0.00 178.15 175.45 1afe h ASP 243 N 0.94 0.71 1.00 1.72 3.04 0.27 -0.79 116.42 123.30 1afe h ASP 243 Ca 0.19 -0.45 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 1afe h ASP 243 Cb 0.43 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 1afe h ASP 243 CO 0.01 1.21 0.00 1.67 -2.04 0.00 0.00 179.24 180.10 1afe n GLN 244 N -3.90 0.14 0.00 4.15 7.27 -0.02 -3.98 117.38 121.05 1afe n GLN 244 Ca -0.05 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.25 1afe n GLN 244 Cb 0.71 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.65 1afe n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1afe n PHE 245 N -1.96 0.00 0.00 3.69 3.72 -0.92 -5.08 117.46 116.91 1afe n PHE 245 Ca 0.05 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1afe n PHE 245 Cb 0.31 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1afe n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1afe n GLY 246 N -0.07 0.54 0.00 1.37 0.00 -0.31 -5.01 105.19 101.70 1afe n GLY 246 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1afe n GLY 246 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11