#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhr s VAL 17 N 0.00 5.37 -1.54 1.39 1.01 0.72 -4.12 120.40 123.24 1qhr s VAL 17 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1qhr s VAL 17 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1qhr s VAL 17 CO 0.00 0.38 0.00 -0.62 0.00 0.00 0.00 175.10 174.86 1qhr n GLU 18 N 3.97 -1.37 -0.47 2.72 -0.58 -1.26 -1.57 120.64 122.08 1qhr n GLU 18 Ca -0.15 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1qhr n GLU 18 Cb 0.52 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 26.07 1qhr n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qhr n GLY 19 N -0.99 1.68 3.36 0.62 0.00 -1.26 -4.78 105.19 103.82 1qhr n GLY 19 Ca -0.20 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.59 1qhr n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qhr s SER 20 N -1.00 1.63 0.21 1.61 1.04 -0.42 -4.89 113.70 111.88 1qhr s SER 20 Ca 0.00 -1.36 -0.31 0.00 0.48 0.00 0.00 55.95 54.77 1qhr s SER 20 Cb 0.00 0.07 -0.10 0.00 0.10 0.00 0.00 66.02 66.09 1qhr s SER 20 CO 0.00 -0.66 1.48 -1.81 0.98 0.00 0.00 173.24 173.23 1qhr s ASP 21 N -3.36 6.64 0.58 7.02 1.11 -1.26 0.27 116.67 127.67 1qhr s ASP 21 Ca 0.36 2.62 -0.19 0.00 0.18 0.00 0.00 52.55 55.53 1qhr s ASP 21 Cb 0.08 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 1qhr s ASP 21 CO 0.13 -0.74 1.15 0.00 1.18 0.00 0.00 175.17 176.89 1qhr s ALA 22 N 0.47 2.61 0.73 5.23 0.00 0.16 -4.77 121.76 126.19 1qhr s ALA 22 Ca 0.63 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 1qhr s ALA 22 Cb -0.42 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.35 1qhr s ALA 22 CO 0.38 -0.97 1.07 -1.21 0.00 0.00 0.00 175.76 175.04 1qhr s GLU 23 N -3.41 2.64 0.24 0.00 2.02 -1.26 -4.94 118.70 113.99 1qhr s GLU 23 Ca 0.73 0.93 -0.30 0.00 0.02 0.00 0.00 54.97 56.36 1qhr s GLU 23 Cb -0.25 -1.96 -0.09 0.00 0.10 0.00 0.00 34.13 31.93 1qhr s GLU 23 CO 0.31 -1.30 1.28 0.42 0.02 0.00 0.00 175.26 175.98 1qhr s ILE 24 N -3.04 3.13 0.00 -1.63 1.01 -1.26 -2.34 121.20 117.07 1qhr s ILE 24 Ca 0.59 1.00 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1qhr s ILE 24 Cb -0.15 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1qhr s ILE 24 CO 0.55 0.19 0.00 0.61 0.00 0.00 0.00 174.94 176.29 1qhr n GLY 25 N 1.79 0.36 0.24 6.18 0.00 -1.26 -4.88 105.19 107.62 1qhr n GLY 25 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1qhr n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qhr h MET 26 N 1.04 0.00 -1.97 1.61 -1.53 -1.84 -3.35 114.93 108.89 1qhr h MET 26 Ca 0.00 0.00 -0.53 0.00 -3.44 0.00 0.00 59.70 55.73 1qhr h MET 26 Cb 0.13 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 30.79 1qhr h MET 26 CO 0.00 0.14 -1.12 0.45 0.14 0.00 0.00 176.91 176.51 1qhr n SER 27 N -4.28 0.30 0.00 1.39 2.88 -1.26 -4.97 113.62 107.67 1qhr n SER 27 Ca -0.03 -2.79 0.10 0.00 -1.33 0.00 0.00 58.87 54.82 1qhr n SER 27 Cb 0.21 -0.59 0.57 0.00 -0.75 0.00 0.00 64.21 63.64 1qhr n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1qhr n PRO 28 N 1.09 0.57 0.00 -1.46 -0.04 -1.26 -0.89 135.00 133.02 1qhr n PRO 28 Ca 0.22 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1qhr n PRO 28 Cb 0.57 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.67 1qhr n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qhr n TRP 29 N -1.04 0.00 -2.10 0.54 2.14 -1.11 -1.53 117.44 114.34 1qhr n TRP 29 Ca 0.14 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.29 1qhr n TRP 29 Cb 0.08 -0.06 -0.03 0.00 -0.81 0.00 0.00 31.31 30.49 1qhr n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1qhr s GLN 30 N -2.57 4.30 0.08 -2.67 2.00 -0.06 -0.70 119.66 120.03 1qhr s GLN 30 Ca 0.19 2.17 0.10 0.00 -2.00 0.00 0.00 55.36 55.81 1qhr s GLN 30 Cb 0.18 -3.20 -0.03 0.00 0.80 0.00 0.00 33.01 30.75 1qhr s GLN 30 CO 0.59 -0.45 -0.26 0.08 -0.50 0.00 0.00 175.29 174.75 1qhr s VAL 31 N 0.88 2.27 -0.19 1.34 1.01 -0.38 -4.19 120.40 121.13 1qhr s VAL 31 Ca 0.64 -1.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1qhr s VAL 31 Cb -0.39 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1qhr s VAL 31 CO 0.33 0.25 0.07 -0.32 0.00 0.00 0.00 175.10 175.42 1qhr s MET 32 N -1.61 3.96 -0.28 2.72 1.75 0.23 -1.83 119.30 124.24 1qhr s MET 32 Ca 0.13 -0.35 -0.20 0.00 -1.25 0.00 0.00 55.69 54.03 1qhr s MET 32 Cb -0.10 -3.24 -0.02 0.00 2.84 0.00 0.00 34.83 34.31 1qhr s MET 32 CO 0.04 0.23 0.61 -0.51 -0.65 0.00 0.00 175.02 174.74 1qhr s LEU 33 N 0.50 4.10 -0.12 4.11 1.02 -0.09 -0.19 118.68 128.00 1qhr s LEU 33 Ca 0.03 0.55 0.01 0.00 0.02 0.00 0.00 54.13 54.74 1qhr s LEU 33 Cb -0.13 -2.80 0.02 0.00 0.02 0.00 0.00 46.19 43.30 1qhr s LEU 33 CO 0.01 -0.40 -0.12 0.12 0.02 0.00 0.00 176.35 175.98 1qhr s PHE 34 N 2.51 1.83 0.09 0.29 5.36 0.20 -0.51 117.98 127.75 1qhr s PHE 34 Ca 0.25 -0.93 -0.13 0.00 -0.96 0.00 0.00 56.93 55.16 1qhr s PHE 34 Cb -0.15 -1.39 -0.06 0.00 -0.34 0.00 0.00 43.02 41.08 1qhr s PHE 34 CO 0.10 -0.54 0.46 -0.98 -1.46 0.00 0.00 175.22 172.80 1qhr s ARG 35 N 1.38 3.89 -1.05 10.12 1.70 0.11 -0.54 118.95 134.56 1qhr s ARG 35 Ca 0.01 0.36 -0.04 0.00 -0.47 0.00 0.00 55.73 55.59 1qhr s ARG 35 Cb -0.13 -3.02 0.30 0.00 -0.57 0.00 0.00 34.95 31.52 1qhr s ARG 35 CO -0.07 0.56 1.37 0.36 -1.08 0.00 0.00 175.30 176.44 1qhr n LYS 36 N 1.07 4.19 0.00 3.89 2.85 -1.21 -1.81 118.16 127.15 1qhr n LYS 36 Ca -0.08 -4.55 0.00 0.00 -1.05 0.00 0.00 58.31 52.63 1qhr n LYS 36 Cb 0.52 -2.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 1qhr n LYS 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1qhr n SER 37 N 1.49 0.00 -4.76 -5.58 7.64 -1.26 -4.83 113.62 106.32 1qhr n SER 37 Ca 0.26 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.77 1qhr n SER 37 Cb 0.34 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.56 1qhr n SER 37 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1qhr s PRO 37 N -0.37 3.39 -0.30 1.43 0.04 -1.26 -5.05 135.00 132.88 1qhr s PRO 37 Ca 0.00 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 62.64 1qhr s PRO 37 Cb 0.00 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1qhr s PRO 37 CO 0.00 -0.89 2.17 -0.65 0.04 0.00 0.00 177.00 177.67 1qhr s GLN 38 N -2.96 2.97 0.02 4.56 1.11 -1.22 -4.63 119.66 119.51 1qhr s GLN 38 Ca 0.70 1.77 -0.13 0.00 0.01 0.00 0.00 55.36 57.71 1qhr s GLN 38 Cb -0.31 -4.38 0.02 0.00 -1.01 0.00 0.00 33.01 27.33 1qhr s GLN 38 CO 0.36 -2.28 0.27 -1.83 0.01 0.00 0.00 175.29 171.82 1qhr s GLU 39 N 6.58 0.71 0.05 2.91 -1.05 -0.75 -4.98 118.70 122.17 1qhr s GLU 39 Ca 0.95 -0.39 -0.30 0.00 -0.15 0.00 0.00 54.97 55.08 1qhr s GLU 39 Cb -0.28 0.31 -0.08 0.00 -0.44 0.00 0.00 34.13 33.64 1qhr s GLU 39 CO 0.33 -0.21 1.66 -1.17 0.95 0.00 0.00 175.26 176.82 1qhr s LEU 40 N -1.72 4.36 -0.17 1.83 2.96 -1.26 0.09 118.68 124.77 1qhr s LEU 40 Ca -0.09 2.44 -0.18 0.00 -0.22 0.00 0.00 54.13 56.08 1qhr s LEU 40 Cb -0.03 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.95 1qhr s LEU 40 CO 0.00 -0.89 0.18 -0.07 -1.32 0.00 0.00 176.35 174.25 1qhr h LEU 41 N 8.88 0.00 -7.71 -0.68 3.38 -1.16 -3.47 115.31 114.55 1qhr h LEU 41 Ca -0.42 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.22 1qhr h LEU 41 Cb 1.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 1qhr h LEU 41 CO 0.93 1.17 0.30 0.00 0.09 0.00 0.00 178.44 180.93 1qhr s GLY 43 N -2.87 1.78 0.13 0.00 0.00 0.39 -0.91 107.32 105.83 1qhr s GLY 43 Ca 0.09 -1.35 -0.24 0.00 0.00 0.00 0.00 44.72 43.22 1qhr s GLY 43 CO 0.02 -0.62 1.10 0.00 0.00 0.00 0.00 173.10 173.59 1qhr s ALA 44 N -3.71 -1.81 -0.00 3.20 0.00 -0.76 -3.63 121.76 115.05 1qhr s ALA 44 Ca 0.72 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 1qhr s ALA 44 Cb -0.04 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.82 1qhr s ALA 44 CO 0.51 -1.08 0.07 -1.54 0.00 0.00 0.00 175.76 173.72 1qhr s SER 45 N -3.39 0.07 -0.27 0.00 1.04 -0.05 -1.25 113.70 109.84 1qhr s SER 45 Ca 0.22 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.25 1qhr s SER 45 Cb -0.01 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1qhr s SER 45 CO 0.03 -0.26 0.58 -0.22 0.98 0.00 0.00 173.24 174.35 1qhr s LEU 46 N -1.04 4.08 -0.00 2.42 0.20 0.12 -1.13 118.68 123.34 1qhr s LEU 46 Ca -0.11 0.55 0.09 0.00 0.69 0.00 0.00 54.13 55.34 1qhr s LEU 46 Cb -0.07 -2.76 -0.11 0.00 -0.43 0.00 0.00 46.19 42.83 1qhr s LEU 46 CO 0.00 -0.36 0.32 2.30 -0.29 0.00 0.00 176.35 178.32 1qhr n ILE 47 N 5.23 0.00 -3.36 6.68 -5.35 -0.84 -1.35 119.36 120.36 1qhr n ILE 47 Ca -0.02 -0.27 -0.02 0.00 -0.27 0.00 0.00 62.75 62.17 1qhr n ILE 47 Cb 0.49 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 1qhr n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1qhr n SER 48 N -1.37 -0.36 0.14 7.28 3.41 -1.21 -4.71 113.62 116.80 1qhr n SER 48 Ca 0.01 -1.33 0.12 0.00 -0.26 0.00 0.00 58.87 57.41 1qhr n SER 48 Cb 0.16 0.62 0.53 0.00 -0.26 0.00 0.00 64.21 65.26 1qhr n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1qhr n ASP 49 N -1.49 0.64 0.00 4.04 5.75 -1.26 -3.70 116.55 120.53 1qhr n ASP 49 Ca -0.01 0.70 0.00 0.00 -0.01 0.00 0.00 54.79 55.47 1qhr n ASP 49 Cb 0.11 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 1qhr n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1qhr n ARG 50 N -2.26 -0.71 -4.53 0.11 0.63 -1.26 -0.76 116.66 107.89 1qhr n ARG 50 Ca 0.01 -0.39 -0.25 0.00 -0.92 0.00 0.00 57.85 56.30 1qhr n ARG 50 Cb 0.16 -0.87 -0.17 0.00 0.45 0.00 0.00 32.46 32.03 1qhr n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1qhr s TRP 51 N -0.01 1.50 -0.05 -0.14 0.52 -1.24 -0.70 118.94 118.81 1qhr s TRP 51 Ca 0.00 -0.58 0.04 0.00 0.02 0.00 0.00 56.10 55.58 1qhr s TRP 51 Cb 0.00 -1.11 -0.02 0.00 -1.15 0.00 0.00 33.47 31.19 1qhr s TRP 51 CO 0.00 -0.31 -0.17 0.08 0.02 0.00 0.00 176.95 176.57 1qhr s VAL 52 N 0.76 2.81 -0.14 4.03 1.01 0.26 -1.99 120.40 127.15 1qhr s VAL 52 Ca -0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1qhr s VAL 52 Cb -0.16 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1qhr s VAL 52 CO 0.03 0.58 0.01 -0.22 0.00 0.00 0.00 175.10 175.50 1qhr s LEU 53 N -0.54 3.57 0.00 3.92 2.96 -0.28 0.16 118.68 128.47 1qhr s LEU 53 Ca 0.07 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1qhr s LEU 53 Cb -0.11 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.73 1qhr s LEU 53 CO 0.01 0.25 0.52 1.07 -1.32 0.00 0.00 176.35 176.88 1qhr n THR 54 N 2.99 0.00 -2.94 3.68 5.66 -0.52 -0.87 114.28 122.28 1qhr n THR 54 Ca -0.18 -1.72 -0.40 0.00 -3.05 0.00 0.00 64.05 58.70 1qhr n THR 54 Cb 0.53 1.10 -0.05 0.00 -1.55 0.00 0.00 70.33 70.36 1qhr n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qhr s ALA 55 N -2.72 3.35 0.32 1.79 0.00 -1.26 -1.58 121.76 121.67 1qhr s ALA 55 Ca 0.28 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1qhr s ALA 55 Cb -0.01 -3.04 0.76 0.00 0.00 0.00 0.00 23.12 20.82 1qhr s ALA 55 CO 0.20 0.06 1.81 0.00 0.00 0.00 0.00 175.76 177.84 1qhr h ALA 56 N 5.59 1.74 0.00 0.00 0.00 -1.68 -2.51 119.26 122.39 1qhr h ALA 56 Ca -0.44 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1qhr h ALA 56 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1qhr h ALA 56 CO 0.71 -0.05 0.00 1.12 0.00 0.00 0.00 179.25 181.02 1qhr h HIS 57 N 0.76 0.00 0.00 0.00 2.07 -1.90 -0.32 115.15 115.76 1qhr h HIS 57 Ca 0.53 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 58.02 1qhr h HIS 57 Cb 0.82 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.80 1qhr h HIS 57 CO -0.00 0.00 -0.12 0.00 -3.07 0.00 0.00 177.93 174.74 1qhr n LEU 59 N -4.23 1.56 -3.73 0.00 4.77 -0.44 -4.84 117.00 110.10 1qhr n LEU 59 Ca -0.03 -0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 1qhr n LEU 59 Cb 0.20 -0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 40.94 1qhr n LEU 59 CO 0.34 0.64 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.47 1qhr s LEU 60 N -5.74 1.47 0.12 2.23 0.20 -0.26 0.28 118.68 116.99 1qhr s LEU 60 Ca -0.19 -1.11 -0.11 0.00 0.69 0.00 0.00 54.13 53.42 1qhr s LEU 60 Cb 0.06 -0.67 0.01 0.00 -0.43 0.00 0.00 46.19 45.15 1qhr s LEU 60 CO 0.58 -0.35 0.27 -0.47 -0.29 0.00 0.00 176.35 176.09 1qhr s TYR 60 N 1.79 0.13 0.00 5.38 5.04 0.15 -4.17 117.35 125.68 1qhr s TYR 60 Ca 0.03 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1qhr s TYR 60 Cb -0.17 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.17 1qhr s TYR 60 CO -0.15 -0.64 0.00 -2.30 -1.34 0.00 0.00 175.55 171.12 1qhr n PRO 60 N -0.15 0.00 -0.44 4.97 -0.02 -1.26 -2.11 135.00 136.00 1qhr n PRO 60 Ca -0.13 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.43 1qhr n PRO 60 Cb 0.63 0.00 0.26 0.00 -0.02 0.00 0.00 33.50 34.36 1qhr n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1qhr n TRP 60 N 0.00 0.94 -4.20 6.00 8.01 -1.26 -4.95 117.44 121.98 1qhr n TRP 60 Ca 0.00 -0.83 -0.36 0.00 -1.31 0.00 0.00 57.50 55.00 1qhr n TRP 60 Cb 0.00 -0.29 -0.05 0.00 -2.01 0.00 0.00 31.31 28.96 1qhr n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1qhr n ASP 60 N -0.34 -2.65 -4.62 -0.99 9.92 -1.19 -4.95 116.55 111.74 1qhr n ASP 60 Ca 0.21 -0.98 -0.38 0.00 -0.53 0.00 0.00 54.79 53.10 1qhr n ASP 60 Cb 0.86 -2.22 -0.09 0.00 -0.64 0.00 0.00 41.12 39.02 1qhr n ASP 60 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1qhr s LYS 60 N -6.89 4.04 -0.48 -1.24 2.20 -0.90 -4.99 119.74 111.48 1qhr s LYS 60 Ca 0.72 -0.04 0.06 0.00 -0.36 0.00 0.00 55.97 56.36 1qhr s LYS 60 Cb -0.41 -3.62 0.21 0.00 -1.51 0.00 0.00 37.83 32.50 1qhr s LYS 60 CO 0.89 -0.18 0.70 -1.71 -0.36 0.00 0.00 175.35 174.69 1qhr n ASN 60 N 5.00 -2.45 -4.74 1.43 5.15 -1.19 0.35 115.26 118.81 1qhr n ASN 60 Ca -0.10 -2.93 -0.41 0.00 -0.60 0.00 0.00 54.58 50.54 1qhr n ASN 60 Cb 0.51 1.17 -0.05 0.00 -0.53 0.00 0.00 39.78 40.88 1qhr n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1qhr s PHE 60 N 0.47 3.83 0.51 1.20 0.08 0.14 -5.00 117.98 119.23 1qhr s PHE 60 Ca 0.32 1.81 0.06 0.00 0.12 0.00 0.00 56.93 59.24 1qhr s PHE 60 Cb 0.09 -3.07 0.02 0.00 -0.57 0.00 0.00 43.02 39.49 1qhr s PHE 60 CO -0.14 0.13 0.39 0.95 -0.10 0.00 0.00 175.22 176.45 1qhr s THR 60 N -0.60 1.88 0.18 0.64 -4.23 -1.26 -4.87 115.64 107.38 1qhr s THR 60 Ca 0.45 -1.47 -0.14 0.00 -1.18 0.00 0.00 61.69 59.35 1qhr s THR 60 Cb -0.26 -2.35 0.10 0.00 1.34 0.00 0.00 72.50 71.33 1qhr s THR 60 CO 0.32 0.00 1.71 -0.33 -0.54 0.00 0.00 174.62 175.78 1qhr h GLU 61 N 0.83 0.20 0.00 3.99 3.07 -1.92 -0.11 114.58 120.63 1qhr h GLU 61 Ca -0.38 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1qhr h GLU 61 Cb 1.29 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1qhr h GLU 61 CO 0.58 0.13 0.00 0.09 -1.40 0.00 0.00 179.01 178.41 1qhr n ASN 62 N -5.13 0.36 0.07 1.42 4.13 -1.26 -1.86 115.26 112.99 1qhr n ASN 62 Ca 0.05 0.61 0.12 0.00 1.68 0.00 0.00 54.58 57.04 1qhr n ASN 62 Cb 0.23 -0.68 0.46 0.00 -1.54 0.00 0.00 39.78 38.26 1qhr n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qhr n ASP 63 N -1.93 0.49 -4.22 6.41 9.92 -0.06 -4.91 116.55 122.26 1qhr n ASP 63 Ca 0.02 0.57 -0.23 0.00 -0.53 0.00 0.00 54.79 54.62 1qhr n ASP 63 Cb 0.15 -0.69 -0.13 0.00 -0.64 0.00 0.00 41.12 39.80 1qhr n ASP 63 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1qhr s LEU 64 N -3.97 2.23 0.00 0.64 1.43 -0.78 -3.29 118.68 114.94 1qhr s LEU 64 Ca 0.10 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1qhr s LEU 64 Cb 0.13 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 1qhr s LEU 64 CO 0.49 0.06 -0.24 -0.76 0.23 0.00 0.00 176.35 176.13 1qhr s LEU 65 N -1.51 2.23 -0.18 1.79 1.43 0.30 -4.45 118.68 118.30 1qhr s LEU 65 Ca 0.04 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1qhr s LEU 65 Cb -0.09 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1qhr s LEU 65 CO 0.03 0.30 0.42 -0.69 0.23 0.00 0.00 176.35 176.63 1qhr s VAL 66 N -0.72 5.20 -0.18 -1.59 1.01 -0.57 -0.62 120.40 122.93 1qhr s VAL 66 Ca 0.11 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.84 1qhr s VAL 66 Cb -0.10 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1qhr s VAL 66 CO 0.01 0.28 -0.10 -0.13 0.00 0.00 0.00 175.10 175.16 1qhr s ARG 67 N 1.09 3.32 -0.04 2.72 0.52 0.73 -0.72 118.95 126.58 1qhr s ARG 67 Ca 0.21 -0.68 0.06 0.00 -0.52 0.00 0.00 55.73 54.80 1qhr s ARG 67 Cb -0.15 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1qhr s ARG 67 CO 0.08 -0.05 -0.22 0.42 0.02 0.00 0.00 175.30 175.55 1qhr s ILE 68 N 1.04 2.36 0.00 1.52 1.01 0.48 -0.60 121.20 127.02 1qhr s ILE 68 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1qhr s ILE 68 Cb -0.15 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1qhr s ILE 68 CO -0.02 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1qhr n GLY 69 N 2.54 0.83 3.88 6.18 0.00 -1.26 0.16 105.19 117.52 1qhr n GLY 69 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1qhr n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhr s LYS 70 N -0.93 3.71 0.08 1.61 1.02 -1.26 -4.37 119.74 119.60 1qhr s LYS 70 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.48 1qhr s LYS 70 Cb 0.00 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1qhr s LYS 70 CO 0.00 -0.19 0.00 1.58 -0.92 0.00 0.00 175.35 175.82 1qhr n HIS 71 N -1.81 -0.56 -1.87 3.18 -0.00 -1.26 -4.91 115.22 107.99 1qhr n HIS 71 Ca 0.03 0.10 -0.42 0.00 -0.00 0.00 0.00 57.72 57.43 1qhr n HIS 71 Cb 0.54 0.28 -0.03 0.00 -0.00 0.00 0.00 29.99 30.78 1qhr n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1qhr s SER 72 N -5.20 6.52 0.07 0.26 0.15 -1.26 -0.08 113.70 114.15 1qhr s SER 72 Ca 0.00 2.73 -0.22 0.00 0.70 0.00 0.00 55.95 59.16 1qhr s SER 72 Cb 0.00 -2.60 -0.12 0.00 -1.71 0.00 0.00 66.02 61.58 1qhr s SER 72 CO 0.00 -0.86 1.59 -0.09 1.20 0.00 0.00 173.24 175.08 1qhr h ARG 73 N 6.29 0.19 0.00 5.44 2.43 -1.00 -3.39 114.38 124.34 1qhr h ARG 73 Ca -0.44 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.52 1qhr h ARG 73 Cb 1.21 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 1qhr h ARG 73 CO 0.89 0.32 -2.00 0.25 -1.51 0.00 0.00 179.97 177.92 1qhr n THR 74 N -4.88 0.76 -1.97 0.20 -2.24 -1.26 -4.97 114.28 99.91 1qhr n THR 74 Ca -0.05 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 1qhr n THR 74 Cb 0.13 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1qhr n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1qhr s ARG 75 N -3.02 4.24 -0.44 -0.78 3.52 -1.26 -4.98 118.95 116.24 1qhr s ARG 75 Ca -0.08 2.36 -0.29 0.00 -0.13 0.00 0.00 55.73 57.60 1qhr s ARG 75 Cb 0.10 -3.06 0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1qhr s ARG 75 CO 0.86 -0.41 1.44 -0.47 -0.81 0.00 0.00 175.30 175.91 1qhr s TYR 76 N -0.49 2.33 -1.19 5.12 5.04 -1.26 -4.93 117.35 121.97 1qhr s TYR 76 Ca 0.56 0.64 -0.18 0.00 -2.44 0.00 0.00 57.07 55.65 1qhr s TYR 76 Cb -0.43 -4.31 0.10 0.00 0.35 0.00 0.00 41.96 37.67 1qhr s TYR 76 CO 0.50 -2.04 1.54 -1.21 -1.34 0.00 0.00 175.55 173.00 1qhr s GLU 77 N 5.12 3.92 0.24 4.97 2.02 -1.26 -4.89 118.70 128.81 1qhr s GLU 77 Ca 0.61 -2.01 -0.07 0.00 0.02 0.00 0.00 54.97 53.52 1qhr s GLU 77 Cb -0.14 -5.30 0.41 0.00 0.10 0.00 0.00 34.13 29.21 1qhr s GLU 77 CO 0.31 -2.05 1.68 -0.09 0.02 0.00 0.00 175.26 175.14 1qhr h ARG 77 N 7.93 0.24 -0.42 1.61 2.43 -1.92 0.11 114.38 124.36 1qhr h ARG 77 Ca 0.34 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1qhr h ARG 77 Cb 0.91 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 1qhr h ARG 77 CO 1.35 0.16 0.06 0.09 -1.51 0.00 0.00 179.97 180.12 1qhr n ASN 78 N -5.17 3.96 0.00 -3.80 5.03 -1.26 -4.70 115.26 109.32 1qhr n ASN 78 Ca 0.13 -3.22 -0.03 0.00 0.87 0.00 0.00 54.58 52.33 1qhr n ASN 78 Cb 0.42 -0.62 -0.01 0.00 -1.02 0.00 0.00 39.78 38.55 1qhr n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1qhr n ILE 79 N -0.48 0.70 -2.67 2.41 5.41 0.16 -5.04 119.36 119.84 1qhr n ILE 79 Ca 0.29 0.13 -0.33 0.00 1.00 0.00 0.00 62.75 63.84 1qhr n ILE 79 Cb 1.07 -1.62 -0.05 0.00 -0.71 0.00 0.00 39.64 38.32 1qhr n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1qhr s GLU 80 N -2.10 4.05 -0.05 0.38 -1.05 -0.02 -4.78 118.70 115.13 1qhr s GLU 80 Ca -0.05 1.17 0.04 0.00 -0.15 0.00 0.00 54.97 55.98 1qhr s GLU 80 Cb 0.01 -2.15 -0.02 0.00 -0.44 0.00 0.00 34.13 31.53 1qhr s GLU 80 CO 0.07 -0.19 -0.16 0.15 0.95 0.00 0.00 175.26 176.08 1qhr s LYS 81 N -3.32 2.52 -0.12 -4.83 -0.14 0.12 -4.94 119.74 109.04 1qhr s LYS 81 Ca 0.63 -0.73 -0.01 0.00 -1.36 0.00 0.00 55.97 54.50 1qhr s LYS 81 Cb -0.11 -2.35 -0.02 0.00 -1.68 0.00 0.00 37.83 33.67 1qhr s LYS 81 CO 0.18 0.58 -0.09 0.42 -0.76 0.00 0.00 175.35 175.67 1qhr s ILE 82 N -0.61 3.44 0.11 2.17 1.01 -1.26 -0.39 121.20 125.68 1qhr s ILE 82 Ca 0.09 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1qhr s ILE 82 Cb -0.11 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1qhr s ILE 82 CO 0.01 0.53 -0.10 -0.44 0.00 0.00 0.00 174.94 174.94 1qhr s SER 83 N 0.08 1.55 0.12 3.58 0.01 0.10 -5.00 113.70 114.15 1qhr s SER 83 Ca -0.03 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.38 1qhr s SER 83 Cb -0.14 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 1qhr s SER 83 CO 0.04 -0.29 0.15 -0.04 0.41 0.00 0.00 173.24 173.50 1qhr s MET 84 N -3.15 3.03 -0.08 12.44 -1.94 -1.26 -1.51 119.30 126.84 1qhr s MET 84 Ca 0.09 -0.72 -0.14 0.00 -1.71 0.00 0.00 55.69 53.21 1qhr s MET 84 Cb -0.01 -2.76 -0.05 0.00 2.01 0.00 0.00 34.83 34.02 1qhr s MET 84 CO -0.00 0.53 0.34 -0.51 -0.01 0.00 0.00 175.02 175.37 1qhr s LEU 85 N -2.82 4.37 -0.20 -0.03 1.43 -1.26 0.19 118.68 120.35 1qhr s LEU 85 Ca 0.31 0.74 0.09 0.00 -1.03 0.00 0.00 54.13 54.24 1qhr s LEU 85 Cb -0.11 -2.46 -0.22 0.00 0.03 0.00 0.00 46.19 43.43 1qhr s LEU 85 CO 0.24 0.23 0.03 -1.84 0.23 0.00 0.00 176.35 175.24 1qhr n GLU 86 N 2.61 0.67 -3.77 1.70 0.28 0.18 -4.67 120.64 117.65 1qhr n GLU 86 Ca -0.13 0.10 -0.13 0.00 -0.16 0.00 0.00 57.16 56.84 1qhr n GLU 86 Cb 0.52 -1.56 -0.13 0.00 1.43 0.00 0.00 31.44 31.70 1qhr n GLU 86 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1qhr s LYS 87 N -2.52 0.15 -0.16 3.44 2.36 -1.12 -4.96 119.74 116.94 1qhr s LYS 87 Ca -0.20 0.36 -0.08 0.00 -2.55 0.00 0.00 55.97 53.50 1qhr s LYS 87 Cb 0.07 -0.08 -0.04 0.00 -1.05 0.00 0.00 37.83 36.73 1qhr s LYS 87 CO 0.73 -0.12 0.12 0.42 1.55 0.00 0.00 175.35 178.06 1qhr s ILE 88 N 0.83 5.31 -0.22 5.43 1.01 -1.26 -0.36 121.20 131.94 1qhr s ILE 88 Ca -0.06 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1qhr s ILE 88 Cb -0.08 -3.36 0.05 0.00 0.01 0.00 0.00 42.46 39.08 1qhr s ILE 88 CO -0.04 0.53 -0.11 -0.31 0.00 0.00 0.00 174.94 175.01 1qhr s TYR 89 N -0.33 2.74 -0.00 3.97 2.02 0.10 -5.01 117.35 120.83 1qhr s TYR 89 Ca 0.11 -1.86 -0.09 0.00 -0.37 0.00 0.00 57.07 54.86 1qhr s TYR 89 Cb -0.12 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.63 1qhr s TYR 89 CO 0.01 -0.80 0.30 0.42 -1.57 0.00 0.00 175.55 173.91 1qhr s ILE 90 N 1.29 5.24 -0.11 2.71 1.01 -1.26 -1.05 121.20 129.02 1qhr s ILE 90 Ca -0.03 0.39 -0.38 0.00 0.00 0.00 0.00 60.65 60.62 1qhr s ILE 90 Cb -0.17 -3.59 -0.15 0.00 0.01 0.00 0.00 42.46 38.56 1qhr s ILE 90 CO -0.08 0.45 1.65 1.57 0.00 0.00 0.00 174.94 178.53 1qhr n HIS 91 N 1.39 1.98 0.30 3.97 -0.00 -0.86 -4.82 115.22 117.18 1qhr n HIS 91 Ca -0.13 0.45 0.19 0.00 -0.00 0.00 0.00 57.72 58.23 1qhr n HIS 91 Cb 0.53 -2.47 0.97 0.00 -0.00 0.00 0.00 29.99 29.02 1qhr n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1qhr h PRO 92 N 6.74 0.00 -0.30 1.57 0.13 -1.95 0.21 132.00 138.41 1qhr h PRO 92 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1qhr h PRO 92 Cb 1.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 1qhr h PRO 92 CO 0.90 0.00 -0.01 0.54 -0.23 0.00 0.00 178.00 179.20 1qhr n ARG 93 N -3.25 2.41 -1.65 0.86 1.74 -1.26 -5.00 116.66 110.51 1qhr n ARG 93 Ca -0.01 -2.96 -0.49 0.00 -0.77 0.00 0.00 57.85 53.61 1qhr n ARG 93 Cb 0.25 -1.82 -0.05 0.00 -1.02 0.00 0.00 32.46 29.82 1qhr n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1qhr n TYR 94 N -0.81 2.04 -3.39 -1.55 9.36 0.06 -4.70 117.16 118.17 1qhr n TYR 94 Ca 0.26 0.35 -0.44 0.00 3.32 0.00 0.00 57.90 61.40 1qhr n TYR 94 Cb 0.95 -2.50 -0.01 0.00 -0.63 0.00 0.00 39.34 37.15 1qhr n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1qhr s ASN 95 N 1.67 7.07 0.17 2.98 3.84 0.10 -4.82 114.94 125.96 1qhr s ASN 95 Ca 0.85 -3.57 0.26 0.00 0.21 0.00 0.00 52.86 50.62 1qhr s ASN 95 Cb -0.81 -2.16 0.90 0.00 -0.55 0.00 0.00 41.25 38.64 1qhr s ASN 95 CO 0.46 -0.29 1.79 -2.67 -2.79 0.00 0.00 177.10 173.61 1qhr n TRP 96 N 2.71 0.72 -0.04 0.43 4.27 -1.26 -0.42 117.44 123.86 1qhr n TRP 96 Ca 0.23 0.22 -0.13 0.00 -3.89 0.00 0.00 57.50 53.93 1qhr n TRP 96 Cb 0.39 -0.86 -0.01 0.00 -1.36 0.00 0.00 31.31 29.48 1qhr n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1qhr h ARG 97 N 0.00 0.73 0.00 -2.67 3.08 -2.00 -3.44 114.38 110.08 1qhr h ARG 97 Ca 0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1qhr h ARG 97 Cb 0.64 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1qhr h ARG 97 CO 0.00 1.10 0.00 -1.91 -1.07 0.00 0.00 179.97 178.09 1qhr n GLU 97 N -3.97 0.00 -0.08 0.04 2.13 -1.23 -4.99 120.64 112.53 1qhr n GLU 97 Ca -0.04 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.80 1qhr n GLU 97 Cb 0.64 -0.22 0.02 0.00 0.27 0.00 0.00 31.44 32.16 1qhr n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1qhr n ASN 98 N -2.27 1.17 -2.62 4.31 6.94 -1.19 -4.98 115.26 116.62 1qhr n ASN 98 Ca 0.00 -1.89 -0.21 0.00 -0.02 0.00 0.00 54.58 52.47 1qhr n ASN 98 Cb 0.00 -0.10 0.02 0.00 -2.36 0.00 0.00 39.78 37.33 1qhr n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1qhr n LEU 99 N -0.44 -2.37 -4.76 -4.53 4.77 0.44 -4.98 117.00 105.13 1qhr n LEU 99 Ca 0.03 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 1qhr n LEU 99 Cb 0.46 -2.82 -0.03 0.00 -2.33 0.00 0.00 43.42 38.70 1qhr n LEU 99 CO 0.00 0.07 0.96 -0.62 -1.33 0.00 0.00 177.39 176.47 1qhr s ASP 100 N -2.51 6.86 -1.21 -1.43 2.15 -1.24 -2.89 116.67 116.40 1qhr s ASP 100 Ca 0.18 2.58 -0.06 0.00 0.43 0.00 0.00 52.55 55.68 1qhr s ASP 100 Cb -0.08 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.91 1qhr s ASP 100 CO 0.23 -0.49 1.04 0.54 -0.17 0.00 0.00 175.17 176.32 1qhr n ARG 101 N 1.28 -6.99 -2.18 4.34 1.74 -1.26 0.02 116.66 113.61 1qhr n ARG 101 Ca 0.01 0.77 -0.38 0.00 -0.77 0.00 0.00 57.85 57.48 1qhr n ARG 101 Cb 0.42 -5.63 -0.02 0.00 -1.02 0.00 0.00 32.46 26.21 1qhr n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1qhr n ASP 102 N -2.77 4.00 -3.74 0.55 2.03 -1.14 -4.22 116.55 111.26 1qhr n ASP 102 Ca -0.08 -2.82 -0.13 0.00 0.52 0.00 0.00 54.79 52.28 1qhr n ASP 102 Cb 0.59 -1.68 -0.10 0.00 -0.72 0.00 0.00 41.12 39.21 1qhr n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1qhr s ILE 103 N 6.33 0.02 -0.09 5.18 2.07 -1.26 -3.89 121.20 129.56 1qhr s ILE 103 Ca 0.58 -0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 59.47 1qhr s ILE 103 Cb 0.05 -0.57 0.04 0.00 0.13 0.00 0.00 42.46 42.10 1qhr s ILE 103 CO 0.08 -0.10 0.44 0.00 -1.91 0.00 0.00 174.94 173.46 1qhr s ALA 104 N -0.41 -1.11 -0.11 1.50 0.00 -0.61 -2.02 121.76 119.00 1qhr s ALA 104 Ca -0.05 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1qhr s ALA 104 Cb -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1qhr s ALA 104 CO 0.02 -0.26 -0.03 -0.51 0.00 0.00 0.00 175.76 174.98 1qhr s LEU 105 N -0.56 3.35 -0.14 0.00 1.43 -0.21 -1.44 118.68 121.12 1qhr s LEU 105 Ca -0.07 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1qhr s LEU 105 Cb -0.03 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1qhr s LEU 105 CO 0.03 0.29 -0.19 -0.04 0.23 0.00 0.00 176.35 176.67 1qhr s MET 106 N -0.35 3.13 -0.14 1.70 -1.94 0.12 0.00 119.30 121.83 1qhr s MET 106 Ca 0.06 -0.80 -0.24 0.00 -1.71 0.00 0.00 55.69 53.00 1qhr s MET 106 Cb -0.12 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 1qhr s MET 106 CO 0.02 0.05 0.73 0.21 -0.01 0.00 0.00 175.02 176.03 1qhr s LYS 107 N 0.69 4.33 0.24 2.03 2.20 0.51 -0.57 119.74 129.17 1qhr s LYS 107 Ca -0.09 0.87 -0.22 0.00 -0.36 0.00 0.00 55.97 56.17 1qhr s LYS 107 Cb -0.16 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 1qhr s LYS 107 CO 0.01 -0.15 0.78 -0.51 -0.36 0.00 0.00 175.35 175.12 1qhr s LEU 108 N 1.57 4.38 0.31 5.43 1.43 0.13 0.51 118.68 132.42 1qhr s LEU 108 Ca 0.36 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1qhr s LEU 108 Cb -0.17 -3.65 0.58 0.00 0.03 0.00 0.00 46.19 42.98 1qhr s LEU 108 CO 0.14 0.03 1.89 0.50 0.23 0.00 0.00 176.35 179.15 1qhr h LYS 109 N 3.49 0.94 -3.33 1.70 3.64 -0.53 -3.42 116.57 119.07 1qhr h LYS 109 Ca -0.47 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 58.75 1qhr h LYS 109 Cb 1.19 -0.21 -0.17 0.00 -0.41 0.00 0.00 32.23 32.63 1qhr h LYS 109 CO 0.65 0.63 -0.28 -1.59 -2.27 0.00 0.00 179.45 176.59 1qhr s LYS 110 N -5.88 0.78 0.50 1.90 -2.85 -1.26 -4.95 119.74 107.98 1qhr s LYS 110 Ca -0.11 -0.51 -0.22 0.00 -1.00 0.00 0.00 55.97 54.13 1qhr s LYS 110 Cb 0.21 0.34 -0.06 0.00 -2.06 0.00 0.00 37.83 36.25 1qhr s LYS 110 CO 0.80 -0.24 1.29 -2.14 0.10 0.00 0.00 175.35 175.16 1qhr s PRO 111 N -2.47 3.42 0.35 1.78 0.02 -1.26 -4.92 135.00 131.92 1qhr s PRO 111 Ca -0.06 2.08 -0.16 0.00 0.02 0.00 0.00 61.00 62.88 1qhr s PRO 111 Cb -0.01 -2.35 -0.09 0.00 0.02 0.00 0.00 34.50 32.06 1qhr s PRO 111 CO -0.03 -0.92 0.78 0.14 -0.33 0.00 0.00 177.00 176.65 1qhr s VAL 112 N -1.38 4.61 0.08 3.83 -7.23 0.06 -5.01 120.40 115.36 1qhr s VAL 112 Ca 0.68 1.07 -0.20 0.00 -1.81 0.00 0.00 61.98 61.72 1qhr s VAL 112 Cb -0.36 -3.61 -0.07 0.00 0.56 0.00 0.00 36.38 32.90 1qhr s VAL 112 CO 0.44 -0.21 0.58 0.00 -0.31 0.00 0.00 175.10 175.59 1qhr s ALA 113 N -2.03 3.58 0.70 1.32 0.00 -1.26 -4.81 121.76 119.27 1qhr s ALA 113 Ca 0.56 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 1qhr s ALA 113 Cb -0.10 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1qhr s ALA 113 CO 0.16 0.39 1.06 -0.06 0.00 0.00 0.00 175.76 177.32 1qhr s PHE 114 N -1.12 3.15 0.10 0.00 0.08 -1.26 -4.91 117.98 114.02 1qhr s PHE 114 Ca 0.29 1.36 -0.03 0.00 0.12 0.00 0.00 56.93 58.67 1qhr s PHE 114 Cb -0.20 -2.90 0.01 0.00 -0.57 0.00 0.00 43.02 39.37 1qhr s PHE 114 CO 0.19 -1.23 0.19 -1.13 -0.10 0.00 0.00 175.22 173.14 1qhr n SER 115 N -3.12 -0.54 0.34 1.36 3.41 -0.69 -4.96 113.62 109.42 1qhr n SER 115 Ca 0.07 -1.41 0.22 0.00 -0.26 0.00 0.00 58.87 57.49 1qhr n SER 115 Cb 0.54 0.91 1.15 0.00 -0.26 0.00 0.00 64.21 66.56 1qhr n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qhr h ASP 116 N 0.50 0.00 -0.00 4.04 3.32 -2.00 -3.14 116.42 119.13 1qhr h ASP 116 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1qhr h ASP 116 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1qhr h ASP 116 CO 0.10 0.00 -0.43 -1.22 -1.72 0.00 0.00 179.24 175.97 1qhr n TYR 117 N -3.04 0.00 -3.75 4.55 4.01 -1.26 -4.74 117.16 112.94 1qhr n TYR 117 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 1qhr n TYR 117 Cb 0.12 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.99 1qhr n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1qhr s ILE 118 N -1.86 0.70 -0.21 -0.72 1.01 -1.19 -4.14 121.20 114.79 1qhr s ILE 118 Ca 0.04 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 1qhr s ILE 118 Cb 0.07 -1.29 0.06 0.00 0.01 0.00 0.00 42.46 41.32 1qhr s ILE 118 CO 0.38 -0.35 0.54 -2.28 0.00 0.00 0.00 174.94 173.23 1qhr s HIS 119 N 1.75 -0.71 0.52 3.97 2.46 -0.58 -1.70 115.29 121.00 1qhr s HIS 119 Ca 0.02 1.57 -0.18 0.00 0.47 0.00 0.00 55.06 56.94 1qhr s HIS 119 Cb -0.17 0.33 -0.07 0.00 -0.13 0.00 0.00 32.58 32.53 1qhr s HIS 119 CO -0.14 -0.36 1.02 -1.25 -2.47 0.00 0.00 174.74 171.54 1qhr s PRO 120 N 0.94 3.76 0.38 2.88 0.04 -1.26 -2.77 135.00 138.97 1qhr s PRO 120 Ca -0.05 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 62.06 1qhr s PRO 120 Cb -0.05 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 1qhr s PRO 120 CO -0.08 -0.44 0.73 0.54 0.04 0.00 0.00 177.00 177.78 1qhr s VAL 121 N -2.33 4.82 0.40 -0.36 0.11 -0.46 -4.92 120.40 117.67 1qhr s VAL 121 Ca 0.63 0.55 -0.15 0.00 -2.93 0.00 0.00 61.98 60.08 1qhr s VAL 121 Cb -0.13 -3.72 -0.08 0.00 -1.53 0.00 0.00 36.38 30.91 1qhr s VAL 121 CO 0.27 -0.45 0.83 0.00 -3.33 0.00 0.00 175.10 172.41 1qhr s LEU 123 N -3.51 4.42 0.48 0.00 1.43 -1.26 -0.55 118.68 119.68 1qhr s LEU 123 Ca 0.55 0.92 -0.20 0.00 -1.03 0.00 0.00 54.13 54.36 1qhr s LEU 123 Cb -0.10 -2.80 -0.09 0.00 0.03 0.00 0.00 46.19 43.23 1qhr s LEU 123 CO 0.24 0.25 1.03 -2.16 0.23 0.00 0.00 176.35 175.93 1qhr s PRO 124 N -1.48 3.86 0.51 1.29 0.04 -1.26 -4.93 135.00 133.04 1qhr s PRO 124 Ca 0.29 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.70 1qhr s PRO 124 Cb -0.15 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.31 1qhr s PRO 124 CO 0.16 -0.37 0.71 0.16 0.04 0.00 0.00 177.00 177.69 1qhr s ASP 125 N -2.01 5.34 0.20 6.66 1.47 -1.26 -4.86 116.67 122.22 1qhr s ASP 125 Ca 0.67 -0.29 -0.22 0.00 1.18 0.00 0.00 52.55 53.89 1qhr s ASP 125 Cb -0.15 -0.60 0.13 0.00 -0.34 0.00 0.00 42.92 41.95 1qhr s ASP 125 CO 0.19 -1.06 1.56 -0.09 0.68 0.00 0.00 175.17 176.45 1qhr h ARG 126 N 0.27 -0.10 0.00 2.11 9.65 -1.97 -2.42 114.38 121.91 1qhr h ARG 126 Ca -0.40 0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.37 1qhr h ARG 126 Cb 1.29 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.87 1qhr h ARG 126 CO 0.47 -0.07 -0.57 0.93 2.80 0.00 0.00 179.97 183.54 1qhr h GLU 127 N -0.10 0.00 -0.90 0.20 4.39 -2.04 0.15 114.58 116.27 1qhr h GLU 127 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1qhr h GLU 127 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1qhr h GLU 127 CO -0.82 0.57 0.00 2.41 -1.16 0.00 0.00 179.01 180.00 1qhr n THR 128 N -3.73 0.11 0.00 1.13 -1.04 -0.91 -1.66 114.28 108.17 1qhr n THR 128 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1qhr n THR 128 Cb 0.60 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1qhr n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qhr n ALA 129 N 0.60 0.00 -0.11 2.41 0.00 0.51 -1.65 120.51 122.27 1qhr n ALA 129 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1qhr n ALA 129 Cb 0.09 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.84 1qhr n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1qhr h SER 129 N 0.00 0.68 0.00 0.00 0.02 -1.56 -3.36 113.55 109.33 1qhr h SER 129 Ca 0.00 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.73 1qhr h SER 129 Cb 0.00 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1qhr h SER 129 CO 0.00 0.54 -1.95 0.18 -1.14 0.00 0.00 176.83 174.46 1qhr n LEU 129 N -4.41 0.00 -4.29 5.07 4.32 -0.66 -4.68 117.00 112.36 1qhr n LEU 129 Ca 0.05 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.61 1qhr n LEU 129 Cb 0.08 0.24 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1qhr n LEU 129 CO 0.37 0.24 2.03 0.18 -1.22 0.00 0.00 177.39 178.99 1qhr n LEU 130 N -2.39 5.62 -4.03 2.23 4.77 -1.26 -4.83 117.00 117.11 1qhr n LEU 130 Ca -0.17 -4.15 -0.19 0.00 -0.03 0.00 0.00 56.01 51.46 1qhr n LEU 130 Cb 0.80 -1.68 -0.15 0.00 -2.33 0.00 0.00 43.42 40.07 1qhr n LEU 130 CO 0.33 0.61 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.47 1qhr s GLN 131 N 3.06 0.81 0.42 3.23 -0.21 -1.26 -4.96 119.66 120.76 1qhr s GLN 131 Ca 0.49 -0.34 -0.26 0.00 0.02 0.00 0.00 55.36 55.27 1qhr s GLN 131 Cb 0.06 -0.78 -0.09 0.00 1.00 0.00 0.00 33.01 33.19 1qhr s GLN 131 CO 0.02 0.19 1.39 0.00 -2.12 0.00 0.00 175.29 174.77 1qhr n ALA 132 N 2.92 1.84 0.00 6.09 0.00 -1.26 -1.38 120.51 128.72 1qhr n ALA 132 Ca -0.14 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1qhr n ALA 132 Cb 0.56 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1qhr n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qhr n GLY 133 N 0.64 2.86 3.75 0.00 0.00 0.12 -4.94 105.19 107.62 1qhr n GLY 133 Ca 0.05 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1qhr n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qhr s TYR 134 N -2.09 3.47 0.02 1.61 1.51 -0.48 -4.64 117.35 116.75 1qhr s TYR 134 Ca 0.00 1.55 -0.17 0.00 -1.01 0.00 0.00 57.07 57.44 1qhr s TYR 134 Cb 0.00 -3.38 -0.06 0.00 -0.11 0.00 0.00 41.96 38.41 1qhr s TYR 134 CO 0.00 -0.94 0.48 0.15 -1.11 0.00 0.00 175.55 174.13 1qhr s LYS 135 N -0.91 4.07 0.46 -0.62 1.02 -1.26 -0.55 119.74 121.95 1qhr s LYS 135 Ca 0.49 0.55 0.00 0.00 0.02 0.00 0.00 55.97 57.03 1qhr s LYS 135 Cb -0.33 -3.25 -0.00 0.00 -0.52 0.00 0.00 37.83 33.74 1qhr s LYS 135 CO 0.40 0.63 0.00 0.41 -0.92 0.00 0.00 175.35 175.87 1qhr n GLY 136 N 1.89 3.62 3.06 -3.33 0.00 0.15 -4.82 105.19 105.76 1qhr n GLY 136 Ca -0.12 -2.35 -0.25 0.00 0.00 0.00 0.00 46.02 43.31 1qhr n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qhr s ARG 137 N -3.65 1.64 -0.04 1.61 3.52 -0.14 0.05 118.95 121.94 1qhr s ARG 137 Ca 0.01 -0.47 0.07 0.00 -0.13 0.00 0.00 55.73 55.20 1qhr s ARG 137 Cb 0.00 -1.39 -0.02 0.00 -1.56 0.00 0.00 34.95 31.98 1qhr s ARG 137 CO 0.00 0.12 -0.26 0.08 -0.81 0.00 0.00 175.30 174.44 1qhr s VAL 138 N 0.36 2.05 0.07 7.11 1.01 0.01 -0.81 120.40 130.21 1qhr s VAL 138 Ca -0.09 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 60.85 1qhr s VAL 138 Cb -0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1qhr s VAL 138 CO 0.03 0.58 -0.14 0.42 0.00 0.00 0.00 175.10 175.99 1qhr s THR 139 N -0.41 1.10 0.00 3.92 -4.23 -1.24 -1.29 115.64 113.49 1qhr s THR 139 Ca 0.04 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1qhr s THR 139 Cb -0.12 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1qhr s THR 139 CO 0.01 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1qhr n GLY 140 N 1.21 -0.28 1.05 3.99 0.00 -1.03 -4.56 105.19 105.56 1qhr n GLY 140 Ca -0.21 -1.06 0.08 0.00 0.00 0.00 0.00 46.02 44.84 1qhr n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qhr n TRP 141 N -0.38 1.02 -1.43 1.61 8.01 -1.26 -2.37 117.44 122.63 1qhr n TRP 141 Ca 0.00 -0.70 -0.20 0.00 -1.31 0.00 0.00 57.50 55.29 1qhr n TRP 141 Cb 0.00 -0.23 0.15 0.00 -2.01 0.00 0.00 31.31 29.22 1qhr n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qhr n GLY 142 N 0.23 -1.73 3.72 6.99 0.00 -1.26 -4.54 105.19 108.60 1qhr n GLY 142 Ca 0.20 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 1qhr n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qhr n ASN 143 N -3.78 2.27 -0.01 1.61 5.03 0.04 -2.78 115.26 117.64 1qhr n ASN 143 Ca 0.11 0.92 0.13 0.00 0.87 0.00 0.00 54.58 56.61 1qhr n ASN 143 Cb 0.40 -1.55 0.45 0.00 -1.02 0.00 0.00 39.78 38.07 1qhr n ASN 143 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1qhr n LEU 144 N -1.20 0.28 -3.57 3.41 4.77 -0.00 -0.93 117.00 119.75 1qhr n LEU 144 Ca 0.12 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1qhr n LEU 144 Cb 0.46 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1qhr n LEU 144 CO 0.51 0.07 0.29 -0.54 -1.33 0.00 0.00 177.39 176.39 1qhr s LYS 145 N -2.94 1.03 -0.17 3.23 1.02 -1.26 -4.42 119.74 116.23 1qhr s LYS 145 Ca 0.14 -0.20 -0.36 0.00 0.02 0.00 0.00 55.97 55.57 1qhr s LYS 145 Cb 0.18 0.47 -0.13 0.00 -0.52 0.00 0.00 37.83 37.84 1qhr s LYS 145 CO 0.60 -0.37 1.86 -1.91 -0.92 0.00 0.00 175.35 174.61 1qhr n GLU 146 N 0.45 1.77 -0.00 1.68 2.13 -1.26 -4.51 120.64 120.89 1qhr n GLU 146 Ca -0.18 0.64 0.03 0.00 0.66 0.00 0.00 57.16 58.31 1qhr n GLU 146 Cb 0.60 -2.46 -0.04 0.00 0.27 0.00 0.00 31.44 29.81 1qhr n GLU 146 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1qhr n THR 147 N 5.11 0.00 -1.60 6.31 -2.24 -1.26 -2.57 114.28 118.03 1qhr n THR 147 Ca 0.25 -0.33 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 1qhr n THR 147 Cb 0.23 0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 1qhr n THR 147 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1qhr n TRP 148 N -1.18 2.64 0.00 4.78 8.01 -1.26 -2.10 117.44 128.33 1qhr n TRP 148 Ca 0.01 -3.00 0.00 0.00 -1.31 0.00 0.00 57.50 53.21 1qhr n TRP 148 Cb 0.12 -2.31 0.00 0.00 -2.01 0.00 0.00 31.31 27.11 1qhr n TRP 148 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1qhr n THR 149 N 3.31 0.00 -1.69 -0.99 -2.24 -1.26 -4.96 114.28 106.45 1qhr n THR 149 Ca 0.69 0.00 -0.64 0.00 -2.27 0.00 0.00 64.05 61.83 1qhr n THR 149 Cb 0.26 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 1qhr n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qhr n ALA 149 N 0.00 -1.64 -2.63 6.98 0.00 -0.89 -4.82 120.51 117.51 1qhr n ALA 149 Ca 0.00 0.50 -0.25 0.00 0.00 0.00 0.00 53.44 53.70 1qhr n ALA 149 Cb 0.00 -1.94 -0.08 0.00 0.00 0.00 0.00 19.45 17.44 1qhr n ALA 149 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qhr s ASN 149 N 2.38 4.55 0.00 0.00 0.01 -1.06 -4.94 114.94 115.87 1qhr s ASN 149 Ca 1.00 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 1qhr s ASN 149 Cb -1.37 -0.87 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1qhr s ASN 149 CO 0.73 0.05 0.00 1.33 -1.51 0.00 0.00 177.10 177.70 1qhr n VAL 149 N -0.46 0.00 0.00 1.60 0.24 -1.26 -4.28 118.33 114.17 1qhr n VAL 149 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1qhr n VAL 149 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1qhr n VAL 149 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qhr n GLY 149 N 5.00 1.11 0.00 7.63 0.00 -1.26 -3.51 105.19 114.16 1qhr n GLY 149 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qhr n GLY 149 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qhr n LYS 149 N -1.60 0.00 0.00 1.61 4.81 -1.26 -5.11 118.16 116.61 1qhr n LYS 149 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1qhr n LYS 149 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1qhr n LYS 149 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qhr n GLY 150 N 0.00 1.76 3.19 3.14 0.00 -1.23 -4.92 105.19 107.14 1qhr n GLY 150 Ca 0.00 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 1qhr n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qhr s GLN 151 N 0.00 1.26 0.60 1.61 -0.21 -1.26 -0.82 119.66 120.84 1qhr s GLN 151 Ca 0.00 -0.79 -0.08 0.00 0.02 0.00 0.00 55.36 54.51 1qhr s GLN 151 Cb 0.00 -1.30 -0.00 0.00 1.00 0.00 0.00 33.01 32.71 1qhr s GLN 151 CO 0.00 0.34 0.94 -1.25 -2.12 0.00 0.00 175.29 173.20 1qhr s PRO 152 N -0.93 3.11 0.01 2.91 0.04 -1.26 -4.94 135.00 133.95 1qhr s PRO 152 Ca 0.06 0.24 0.17 0.00 0.04 0.00 0.00 61.00 61.51 1qhr s PRO 152 Cb -0.08 -2.21 -0.17 0.00 0.04 0.00 0.00 34.50 32.08 1qhr s PRO 152 CO 0.01 -0.67 0.69 -1.13 0.04 0.00 0.00 177.00 175.94 1qhr n SER 153 N -2.64 0.68 -4.34 6.66 3.41 -1.26 -4.72 113.62 111.41 1qhr n SER 153 Ca 0.05 0.30 -0.23 0.00 -0.26 0.00 0.00 58.87 58.73 1qhr n SER 153 Cb 0.57 0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 64.81 1qhr n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qhr s VAL 154 N -2.90 1.88 -0.09 -3.33 1.01 -1.26 -0.39 120.40 115.32 1qhr s VAL 154 Ca -0.04 -1.87 -0.41 0.00 0.00 0.00 0.00 61.98 59.67 1qhr s VAL 154 Cb 0.09 -1.83 -0.19 0.00 0.00 0.00 0.00 36.38 34.44 1qhr s VAL 154 CO 0.82 -0.24 1.27 -0.11 0.00 0.00 0.00 175.10 176.84 1qhr n LEU 155 N 0.44 0.71 -4.82 3.92 7.94 0.88 -4.82 117.00 121.25 1qhr n LEU 155 Ca -0.14 1.15 -0.23 0.00 -1.11 0.00 0.00 56.01 55.68 1qhr n LEU 155 Cb 0.56 -0.98 -0.05 0.00 0.53 0.00 0.00 43.42 43.48 1qhr n LEU 155 CO 0.28 -1.44 -0.18 -1.10 -1.11 0.00 0.00 177.39 173.83 1qhr s GLN 156 N 0.88 2.92 0.00 1.96 -1.52 -1.00 0.36 119.66 123.25 1qhr s GLN 156 Ca 0.93 -1.01 0.02 0.00 -1.95 0.00 0.00 55.36 53.35 1qhr s GLN 156 Cb -1.23 -2.58 -0.01 0.00 -0.22 0.00 0.00 33.01 28.97 1qhr s GLN 156 CO 0.60 0.42 -0.08 0.54 -0.25 0.00 0.00 175.29 176.52 1qhr s VAL 157 N -2.04 0.59 0.01 1.09 0.11 0.14 -2.48 120.40 117.82 1qhr s VAL 157 Ca 0.32 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1qhr s VAL 157 Cb -0.08 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1qhr s VAL 157 CO 0.25 0.09 -0.02 0.54 -3.33 0.00 0.00 175.10 172.63 1qhr s VAL 158 N -0.34 0.06 -0.19 2.04 0.11 -0.41 -1.30 120.40 120.37 1qhr s VAL 158 Ca 0.01 -0.42 -0.07 0.00 -2.93 0.00 0.00 61.98 58.57 1qhr s VAL 158 Cb -0.04 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1qhr s VAL 158 CO -0.00 -0.23 0.06 0.20 -3.33 0.00 0.00 175.10 171.80 1qhr s ASN 159 N -0.68 5.48 0.01 3.54 0.01 -1.26 -0.81 114.94 121.23 1qhr s ASN 159 Ca -0.07 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 1qhr s ASN 159 Cb -0.05 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.65 1qhr s ASN 159 CO -0.00 0.14 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.81 1qhr s LEU 160 N 0.59 2.08 0.30 0.60 1.43 0.11 -4.92 118.68 118.86 1qhr s LEU 160 Ca 0.03 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 1qhr s LEU 160 Cb -0.13 -0.73 -0.09 0.00 0.03 0.00 0.00 46.19 45.27 1qhr s LEU 160 CO 0.01 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.66 1qhr s PRO 161 N -0.63 4.57 0.30 1.29 0.04 -1.26 -0.67 135.00 138.63 1qhr s PRO 161 Ca 0.05 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1qhr s PRO 161 Cb -0.06 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 1qhr s PRO 161 CO 0.00 0.16 1.32 0.42 0.04 0.00 0.00 177.00 178.94 1qhr s ILE 162 N -1.23 2.82 0.03 0.56 1.01 0.28 -0.88 121.20 123.79 1qhr s ILE 162 Ca 0.46 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.91 1qhr s ILE 162 Cb -0.31 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1qhr s ILE 162 CO 0.39 0.17 0.03 -0.69 0.00 0.00 0.00 174.94 174.83 1qhr s VAL 163 N -0.77 4.29 0.11 2.92 1.01 -0.80 0.16 120.40 127.33 1qhr s VAL 163 Ca 0.52 -0.68 -0.35 0.00 0.00 0.00 0.00 61.98 61.46 1qhr s VAL 163 Cb -0.39 -2.97 -0.17 0.00 0.00 0.00 0.00 36.38 32.85 1qhr s VAL 163 CO 0.49 0.28 1.25 -0.62 0.00 0.00 0.00 175.10 176.49 1qhr n GLU 164 N 1.03 1.06 -0.33 2.72 4.71 -1.26 -4.63 120.64 123.94 1qhr n GLU 164 Ca -0.12 0.38 0.12 0.00 -0.01 0.00 0.00 57.16 57.52 1qhr n GLU 164 Cb 0.52 -1.95 0.30 0.00 -1.01 0.00 0.00 31.44 29.30 1qhr n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1qhr h ARG 165 N 3.99 0.66 -0.71 3.49 3.08 -1.97 -1.32 114.38 121.58 1qhr h ARG 165 Ca -0.46 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 59.63 1qhr h ARG 165 Cb 1.35 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 31.18 1qhr h ARG 165 CO 0.74 0.44 0.39 -1.35 -1.07 0.00 0.00 179.97 179.11 1qhr h PRO 166 N 0.68 0.66 -0.05 0.04 0.11 -1.99 -0.23 132.00 131.22 1qhr h PRO 166 Ca 0.55 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.50 1qhr h PRO 166 Cb 0.87 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1qhr h PRO 166 CO -0.40 0.44 -0.52 -0.24 -0.21 0.00 0.00 178.00 177.07 1qhr h VAL 167 N 0.68 1.37 0.39 3.15 3.04 -1.64 -0.40 116.25 122.84 1qhr h VAL 167 Ca 0.34 -1.80 -0.01 0.00 -1.01 0.00 0.00 66.70 64.22 1qhr h VAL 167 Cb 0.28 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 1qhr h VAL 167 CO -0.22 0.52 -0.30 0.00 -1.01 0.00 0.00 177.57 176.56 1qhr h LYS 169 N -0.69 0.75 0.00 0.00 -0.00 -0.93 -2.42 116.57 113.28 1qhr h LYS 169 Ca -0.03 -0.17 0.00 0.00 -0.00 0.00 0.00 60.65 60.44 1qhr h LYS 169 Cb 0.60 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.73 1qhr h LYS 169 CO -0.01 0.73 0.00 -0.25 -0.00 0.00 0.00 179.45 179.92 1qhr n ASP 170 N -4.25 0.00 -0.22 7.07 8.00 -0.17 -2.91 116.55 124.06 1qhr n ASP 170 Ca 0.03 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.65 1qhr n ASP 170 Cb 0.26 -0.23 0.20 0.00 -0.02 0.00 0.00 41.12 41.34 1qhr n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qhr n SER 171 N -1.23 1.14 -3.89 -2.24 3.41 -0.91 -4.98 113.62 104.93 1qhr n SER 171 Ca 0.07 -0.91 -0.09 0.00 -0.26 0.00 0.00 58.87 57.67 1qhr n SER 171 Cb 0.09 0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 1qhr n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1qhr s THR 172 N -2.66 0.13 -1.23 6.66 -1.32 -1.15 -4.87 115.64 111.21 1qhr s THR 172 Ca 0.18 -1.11 0.26 0.00 -1.21 0.00 0.00 61.69 59.82 1qhr s THR 172 Cb 0.18 -1.11 0.15 0.00 -1.51 0.00 0.00 72.50 70.21 1qhr s THR 172 CO 0.61 -0.61 1.58 0.54 -2.21 0.00 0.00 174.62 174.53 1qhr n ARG 173 N 0.39 0.25 -2.36 7.08 1.74 -1.26 -4.93 116.66 117.57 1qhr n ARG 173 Ca -0.17 -0.12 -0.41 0.00 -0.77 0.00 0.00 57.85 56.38 1qhr n ARG 173 Cb 0.60 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 1qhr n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1qhr s ILE 174 N -2.84 3.40 -0.27 0.55 -1.09 -1.26 -4.97 121.20 114.72 1qhr s ILE 174 Ca 0.16 1.26 -0.29 0.00 -2.23 0.00 0.00 60.65 59.56 1qhr s ILE 174 Cb 0.18 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 1qhr s ILE 174 CO 0.61 0.24 1.70 -0.60 -1.23 0.00 0.00 174.94 175.66 1qhr s ARG 175 N -0.78 3.60 0.13 2.79 3.52 -1.26 -4.98 118.95 121.96 1qhr s ARG 175 Ca 0.50 1.56 -0.30 0.00 -0.13 0.00 0.00 55.73 57.36 1qhr s ARG 175 Cb -0.34 -4.11 -0.06 0.00 -1.56 0.00 0.00 34.95 28.88 1qhr s ARG 175 CO 0.40 -1.54 0.99 0.42 -0.81 0.00 0.00 175.30 174.76 1qhr s ILE 176 N 5.92 4.36 0.50 4.11 -1.09 -1.26 -4.88 121.20 128.85 1qhr s ILE 176 Ca 0.75 1.98 0.06 0.00 -2.23 0.00 0.00 60.65 61.22 1qhr s ILE 176 Cb -0.24 -4.26 0.02 0.00 -1.58 0.00 0.00 42.46 36.39 1qhr s ILE 176 CO 0.32 0.31 0.39 0.42 -1.23 0.00 0.00 174.94 175.15 1qhr s THR 177 N -0.06 2.00 0.07 2.92 -4.23 -1.26 -4.99 115.64 110.09 1qhr s THR 177 Ca 0.47 -1.45 0.33 0.00 -1.18 0.00 0.00 61.69 59.86 1qhr s THR 177 Cb -0.25 -2.45 0.35 0.00 1.34 0.00 0.00 72.50 71.50 1qhr s THR 177 CO 0.31 0.00 1.98 0.44 -0.54 0.00 0.00 174.62 176.81 1qhr h ASP 178 N 0.87 0.00 -0.08 3.99 3.32 -2.03 -2.60 116.42 119.88 1qhr h ASP 178 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1qhr h ASP 178 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1qhr h ASP 178 CO 0.58 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.69 1qhr n ASN 179 N -2.79 0.84 -4.23 6.45 3.02 -1.26 -4.83 115.26 112.46 1qhr n ASN 179 Ca -0.00 -2.04 -0.17 0.00 -0.03 0.00 0.00 54.58 52.34 1qhr n ASN 179 Cb 0.20 -0.22 -0.11 0.00 -0.61 0.00 0.00 39.78 39.04 1qhr n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1qhr s MET 180 N -1.65 1.00 0.16 3.52 -1.94 -0.98 -0.52 119.30 118.89 1qhr s MET 180 Ca 0.06 -1.23 0.01 0.00 -1.71 0.00 0.00 55.69 52.82 1qhr s MET 180 Cb 0.04 -0.85 -0.04 0.00 2.01 0.00 0.00 34.83 35.98 1qhr s MET 180 CO 0.03 0.16 0.02 -0.59 -0.01 0.00 0.00 175.02 174.63 1qhr s PHE 181 N -2.19 1.09 0.28 -0.03 -0.71 -0.74 -4.80 117.98 110.87 1qhr s PHE 181 Ca 0.08 -1.10 0.12 0.00 -1.04 0.00 0.00 56.93 55.00 1qhr s PHE 181 Cb -0.05 -0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 41.09 1qhr s PHE 181 CO 0.03 -0.32 -0.18 0.00 -1.34 0.00 0.00 175.22 173.41 1qhr s ALA 183 N -2.50 -0.79 0.00 0.00 0.00 0.80 -1.90 121.76 117.38 1qhr s ALA 183 Ca 0.30 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1qhr s ALA 183 Cb -0.05 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1qhr s ALA 183 CO 0.16 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1qhr n GLY 184 N 0.81 3.67 3.82 0.00 0.00 -0.06 -1.82 105.19 111.61 1qhr n GLY 184 Ca -0.20 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1qhr n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qhr s TYR 184 N -2.00 3.37 0.57 1.61 2.02 -1.26 -4.52 117.35 117.13 1qhr s TYR 184 Ca 0.00 1.57 -0.15 0.00 -0.37 0.00 0.00 57.07 58.12 1qhr s TYR 184 Cb 0.00 -2.81 -0.05 0.00 -0.40 0.00 0.00 41.96 38.70 1qhr s TYR 184 CO 0.00 -0.04 1.02 0.15 -1.57 0.00 0.00 175.55 175.11 1qhr s LYS 185 N -3.01 3.65 0.41 -0.62 1.02 -1.26 -4.79 119.74 115.14 1qhr s LYS 185 Ca 0.59 0.98 0.17 0.00 0.02 0.00 0.00 55.97 57.73 1qhr s LYS 185 Cb -0.10 -2.09 1.05 0.00 -0.52 0.00 0.00 37.83 36.17 1qhr s LYS 185 CO 0.15 -0.52 1.84 -1.35 -0.92 0.00 0.00 175.35 174.55 1qhr h PRO 186 N 0.45 0.43 0.00 -1.68 0.11 -1.95 -0.72 132.00 128.64 1qhr h PRO 186 Ca -0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1qhr h PRO 186 Cb 1.20 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1qhr h PRO 186 CO 0.60 0.28 -0.28 0.38 -0.21 0.00 0.00 178.00 178.78 1qhr h ASP 186 N 0.44 0.00 0.00 -2.05 2.03 -1.97 -3.37 116.42 111.51 1qhr h ASP 186 Ca 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.79 1qhr h ASP 186 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1qhr h ASP 186 CO -0.21 0.28 0.00 -0.62 -1.03 0.00 0.00 179.24 177.67 1qhr n GLU 186 N -3.52 0.90 0.00 4.15 1.02 -0.28 -4.88 120.64 118.03 1qhr n GLU 186 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1qhr n GLU 186 Cb 0.44 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1qhr n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qhr n GLY 186 N 0.77 2.11 3.78 0.62 0.00 -1.26 -4.96 105.19 106.25 1qhr n GLY 186 Ca 0.20 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1qhr n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhr s LYS 186 N 0.00 3.90 0.52 1.61 1.02 -1.26 -5.08 119.74 120.46 1qhr s LYS 186 Ca 0.00 1.65 0.01 0.00 0.02 0.00 0.00 55.97 57.65 1qhr s LYS 186 Cb 0.00 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1qhr s LYS 186 CO 0.00 -0.40 0.06 1.03 -0.92 0.00 0.00 175.35 175.12 1qhr s ARG 187 N -2.67 2.22 0.00 1.68 0.52 -1.26 -4.71 118.95 114.72 1qhr s ARG 187 Ca 0.62 -2.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.45 1qhr s ARG 187 Cb -0.25 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1qhr s ARG 187 CO 0.31 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1qhr n GLY 188 N -1.36 4.69 3.56 -3.53 0.00 -1.26 -4.92 105.19 102.37 1qhr n GLY 188 Ca -0.18 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 1qhr n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qhr s ASP 189 N 0.00 -0.34 0.99 1.61 2.15 -0.61 -4.66 116.67 115.81 1qhr s ASP 189 Ca 0.00 -0.10 -0.14 0.00 0.43 0.00 0.00 52.55 52.74 1qhr s ASP 189 Cb 0.00 0.43 0.18 0.00 -0.30 0.00 0.00 42.92 43.24 1qhr s ASP 189 CO 0.00 -0.73 1.15 0.00 -0.17 0.00 0.00 175.17 175.42 1qhr s ALA 190 N -3.23 1.48 0.30 3.66 0.00 -1.26 -0.20 121.76 122.51 1qhr s ALA 190 Ca 0.06 -0.69 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 1qhr s ALA 190 Cb -0.01 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 20.18 1qhr s ALA 190 CO -0.07 -2.66 0.69 0.00 0.00 0.00 0.00 175.76 173.73 1qhr n GLU 192 N -0.47 2.46 0.00 0.00 2.13 -1.26 -1.68 120.64 121.83 1qhr n GLU 192 Ca -0.07 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1qhr n GLU 192 Cb 0.49 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1qhr n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qhr n GLY 193 N 0.70 3.06 0.13 8.31 0.00 -1.26 -0.78 105.19 115.35 1qhr n GLY 193 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1qhr n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qhr h ASP 194 N 0.00 0.00 -3.15 1.61 3.32 -1.65 -3.26 116.42 113.29 1qhr h ASP 194 Ca 0.00 -0.05 -0.58 0.00 0.02 0.00 0.00 57.03 56.43 1qhr h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1qhr h ASP 194 CO 0.00 0.02 0.18 -1.20 -1.72 0.00 0.00 179.24 176.52 1qhr n SER 195 N -2.56 1.29 0.00 6.45 7.64 -1.26 -2.30 113.62 122.87 1qhr n SER 195 Ca 0.04 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1qhr n SER 195 Cb 0.48 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1qhr n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qhr n GLY 196 N 1.17 3.06 3.83 0.23 0.00 -0.08 -0.46 105.19 112.94 1qhr n GLY 196 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1qhr n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qhr s GLY 197 N -1.82 1.61 0.12 -0.02 0.00 -0.97 -3.52 107.32 102.71 1qhr s GLY 197 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 44.72 43.73 1qhr s GLY 197 CO 0.00 -0.11 0.97 2.56 0.00 0.00 0.00 173.10 176.52 1qhr s PRO 198 N -5.48 4.70 -0.28 2.90 0.04 -1.26 -0.56 135.00 135.06 1qhr s PRO 198 Ca 0.65 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 63.06 1qhr s PRO 198 Cb -0.12 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1qhr s PRO 198 CO 0.52 0.21 0.16 0.12 0.04 0.00 0.00 177.00 178.05 1qhr s PHE 199 N -0.05 3.18 0.16 0.56 2.19 -0.14 -3.67 117.98 120.21 1qhr s PHE 199 Ca 0.47 -0.07 0.09 0.00 0.33 0.00 0.00 56.93 57.74 1qhr s PHE 199 Cb -0.24 -2.35 -0.04 0.00 -1.31 0.00 0.00 43.02 39.09 1qhr s PHE 199 CO 0.30 -0.24 -0.19 0.14 1.83 0.00 0.00 175.22 177.07 1qhr s VAL 200 N 1.71 1.83 0.08 3.12 -7.23 0.01 -0.86 120.40 119.06 1qhr s VAL 200 Ca 0.07 -1.88 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1qhr s VAL 200 Cb -0.16 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1qhr s VAL 200 CO 0.09 -0.28 -0.09 -0.04 -0.31 0.00 0.00 175.10 174.47 1qhr s MET 201 N -2.69 0.73 -0.22 4.82 -1.94 0.24 -0.96 119.30 119.27 1qhr s MET 201 Ca 0.15 -1.04 -0.09 0.00 -1.71 0.00 0.00 55.69 53.00 1qhr s MET 201 Cb -0.06 -0.40 -0.04 0.00 2.01 0.00 0.00 34.83 36.33 1qhr s MET 201 CO 0.06 0.06 0.11 0.21 -0.01 0.00 0.00 175.02 175.45 1qhr s LYS 202 N -2.51 3.97 0.10 2.03 2.20 -1.26 -0.67 119.74 123.60 1qhr s LYS 202 Ca 0.01 -0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 54.98 1qhr s LYS 202 Cb -0.04 -3.39 -0.07 0.00 -1.51 0.00 0.00 37.83 32.82 1qhr s LYS 202 CO -0.01 0.09 1.27 0.45 -0.36 0.00 0.00 175.35 176.79 1qhr s SER 203 N 0.91 6.99 0.05 1.43 0.15 0.10 -4.89 113.70 118.45 1qhr s SER 203 Ca 0.06 2.16 0.21 0.00 0.70 0.00 0.00 55.95 59.08 1qhr s SER 203 Cb -0.13 -2.59 0.88 0.00 -1.71 0.00 0.00 66.02 62.47 1qhr s SER 203 CO 0.03 -0.52 1.67 -0.81 1.20 0.00 0.00 173.24 174.81 1qhr n PRO 204 N 3.68 0.05 -0.05 5.44 -0.04 -1.26 -0.72 135.00 142.10 1qhr n PRO 204 Ca 0.09 0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.52 1qhr n PRO 204 Cb 0.45 -1.58 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 1qhr n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qhr n PHE 204 N -1.67 0.94 -0.02 0.54 3.72 -1.26 -4.53 117.46 115.18 1qhr n PHE 204 Ca 0.05 0.25 0.02 0.00 -0.05 0.00 0.00 57.45 57.72 1qhr n PHE 204 Cb 0.26 -1.11 0.05 0.00 -0.94 0.00 0.00 39.48 37.73 1qhr n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1qhr n ASN 204 N -3.74 2.17 -0.80 4.37 2.04 -1.25 -5.01 115.26 113.05 1qhr n ASN 204 Ca -0.36 -1.84 -0.10 0.00 -0.44 0.00 0.00 54.58 51.84 1qhr n ASN 204 Cb 0.94 -0.07 -0.04 0.00 -2.53 0.00 0.00 39.78 38.07 1qhr n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1qhr n ASN 205 N -0.03 -5.69 -4.90 0.53 3.02 0.10 -5.00 115.26 103.28 1qhr n ASN 205 Ca 0.04 0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 54.56 1qhr n ASN 205 Cb 0.28 -4.10 -0.04 0.00 -0.61 0.00 0.00 39.78 35.31 1qhr n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qhr s ARG 206 N -2.85 3.62 -0.09 3.52 0.52 -1.25 -4.76 118.95 117.65 1qhr s ARG 206 Ca 0.00 -0.06 -0.21 0.00 -0.52 0.00 0.00 55.73 54.94 1qhr s ARG 206 Cb 0.00 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 1qhr s ARG 206 CO 0.00 0.32 0.58 -1.58 0.02 0.00 0.00 175.30 174.65 1qhr s TRP 207 N -1.91 3.54 -0.05 -0.53 0.52 -1.26 0.03 118.94 119.29 1qhr s TRP 207 Ca 0.42 1.06 0.06 0.00 0.02 0.00 0.00 56.10 57.66 1qhr s TRP 207 Cb -0.11 -2.67 -0.02 0.00 -1.15 0.00 0.00 33.47 29.52 1qhr s TRP 207 CO 0.27 0.13 -0.22 0.71 0.02 0.00 0.00 176.95 177.86 1qhr s TYR 208 N 0.70 2.48 -0.49 -1.98 2.02 0.15 -2.29 117.35 117.95 1qhr s TYR 208 Ca 0.31 -0.49 -0.25 0.00 -0.37 0.00 0.00 57.07 56.27 1qhr s TYR 208 Cb -0.16 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1qhr s TYR 208 CO 0.14 -0.07 0.93 -1.14 -1.57 0.00 0.00 175.55 173.84 1qhr s GLN 209 N -0.42 3.47 -0.03 -0.62 0.74 0.29 -0.59 119.66 122.50 1qhr s GLN 209 Ca 0.04 0.04 0.16 0.00 0.05 0.00 0.00 55.36 55.65 1qhr s GLN 209 Cb -0.12 -3.96 -0.20 0.00 1.10 0.00 0.00 33.01 29.83 1qhr s GLN 209 CO 0.01 -1.29 0.60 -1.33 -0.55 0.00 0.00 175.29 172.73 1qhr n MET 210 N 7.25 0.64 -4.25 1.67 2.81 -0.04 -4.34 117.12 120.85 1qhr n MET 210 Ca 0.05 0.18 -0.14 0.00 -1.81 0.00 0.00 57.70 55.98 1qhr n MET 210 Cb 0.48 -1.73 -0.10 0.00 -0.71 0.00 0.00 33.22 31.16 1qhr n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qhr s GLY 211 N -5.02 1.31 -0.10 3.03 0.00 -0.91 -1.66 107.32 103.98 1qhr s GLY 211 Ca -0.05 -1.64 0.02 0.00 0.00 0.00 0.00 44.72 43.05 1qhr s GLY 211 CO 0.83 -1.53 -0.17 -0.42 0.00 0.00 0.00 173.10 171.81 1qhr s ILE 212 N -3.71 2.76 -0.13 0.90 1.01 -1.02 -0.96 121.20 120.04 1qhr s ILE 212 Ca 0.27 -0.79 -0.33 0.00 0.00 0.00 0.00 60.65 59.80 1qhr s ILE 212 Cb 0.06 -2.11 -0.10 0.00 0.01 0.00 0.00 42.46 40.33 1qhr s ILE 212 CO 0.06 0.55 1.99 0.52 0.00 0.00 0.00 174.94 178.06 1qhr n VAL 213 N 3.16 0.52 0.02 2.92 0.31 0.27 -1.03 118.33 124.50 1qhr n VAL 213 Ca -0.18 -0.19 -0.02 0.00 -0.01 0.00 0.00 64.34 63.94 1qhr n VAL 213 Cb 0.52 -2.02 -0.01 0.00 -0.91 0.00 0.00 33.84 31.43 1qhr n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1qhr n SER 214 N 8.03 1.03 -3.81 4.52 2.88 -0.49 -0.90 113.62 124.87 1qhr n SER 214 Ca 0.26 0.14 -0.07 0.00 -1.33 0.00 0.00 58.87 57.87 1qhr n SER 214 Cb 0.33 -0.34 -0.02 0.00 -0.75 0.00 0.00 64.21 63.43 1qhr n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1qhr s TRP 215 N -2.13 -0.17 -0.06 0.66 1.48 -0.62 -4.91 118.94 113.19 1qhr s TRP 215 Ca -0.05 -0.30 -0.31 0.00 -1.06 0.00 0.00 56.10 54.38 1qhr s TRP 215 Cb 0.01 0.72 0.12 0.00 -1.16 0.00 0.00 33.47 33.16 1qhr s TRP 215 CO 0.07 -1.25 1.37 0.20 -4.06 0.00 0.00 176.95 173.28 1qhr s GLY 216 N -2.93 -0.37 -0.32 3.67 0.00 -1.26 -0.19 107.32 105.92 1qhr s GLY 216 Ca 0.11 0.60 -0.05 0.00 0.00 0.00 0.00 44.72 45.39 1qhr s GLY 216 CO 0.07 2.31 0.06 -0.54 0.00 0.00 0.00 173.10 175.00 1qhr s GLU 217 N -2.11 2.55 2.52 2.90 2.02 -1.26 -4.95 118.70 120.37 1qhr s GLU 217 Ca 0.20 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.99 1qhr s GLU 217 Cb 0.04 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1qhr s GLU 217 CO -0.04 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.00 1qhr n GLY 219 N 4.74 -0.12 2.76 -1.39 0.00 -1.26 -4.55 105.19 105.36 1qhr n GLY 219 Ca -0.13 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 1qhr n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhr n ASP 221 N 5.07 -5.28 -4.75 0.00 2.03 -1.26 -4.68 116.55 107.68 1qhr n ASP 221 Ca -0.08 0.03 -0.40 0.00 0.52 0.00 0.00 54.79 54.85 1qhr n ASP 221 Cb 0.50 -4.35 -0.05 0.00 -0.72 0.00 0.00 41.12 36.50 1qhr n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1qhr s ARG 221 N -4.78 4.68 0.29 -0.67 0.52 -1.26 -4.93 118.95 112.80 1qhr s ARG 221 Ca 0.00 1.34 -0.30 0.00 -0.52 0.00 0.00 55.73 56.25 1qhr s ARG 221 Cb 0.00 -3.33 -0.12 0.00 0.52 0.00 0.00 34.95 32.02 1qhr s ARG 221 CO 0.00 0.37 1.48 -0.25 0.02 0.00 0.00 175.30 176.92 1qhr n ASP 222 N 2.24 3.31 0.00 0.23 8.00 -1.26 -1.62 116.55 127.46 1qhr n ASP 222 Ca -0.01 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1qhr n ASP 222 Cb 0.49 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 1qhr n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qhr n GLY 223 N 1.83 0.62 3.70 0.44 0.00 -1.26 -5.01 105.19 105.51 1qhr n GLY 223 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1qhr n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhr s LYS 224 N -0.36 2.49 0.09 1.61 -0.14 -0.64 -4.79 119.74 118.00 1qhr s LYS 224 Ca 0.00 -1.27 0.03 0.00 -1.36 0.00 0.00 55.97 53.37 1qhr s LYS 224 Cb 0.00 -2.31 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 1qhr s LYS 224 CO 0.00 0.39 -0.09 0.71 -0.76 0.00 0.00 175.35 175.60 1qhr s TYR 225 N -2.18 0.95 0.26 3.18 2.02 -1.26 -4.75 117.35 115.57 1qhr s TYR 225 Ca 0.31 -0.71 -0.23 0.00 -0.37 0.00 0.00 57.07 56.07 1qhr s TYR 225 Cb -0.07 -0.53 -0.09 0.00 -0.40 0.00 0.00 41.96 40.87 1qhr s TYR 225 CO 0.21 -0.06 0.83 0.20 -1.57 0.00 0.00 175.55 175.16 1qhr s GLY 226 N -2.51 2.74 -0.07 0.71 0.00 -0.76 -4.36 107.32 103.08 1qhr s GLY 226 Ca 0.05 0.35 -0.00 0.00 0.00 0.00 0.00 44.72 45.12 1qhr s GLY 226 CO -0.01 0.77 -0.03 -1.36 0.00 0.00 0.00 173.10 172.47 1qhr s PHE 227 N -1.51 3.06 -0.02 1.90 0.40 0.74 -0.14 117.98 122.41 1qhr s PHE 227 Ca 0.45 0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.94 1qhr s PHE 227 Cb -0.18 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 1qhr s PHE 227 CO 0.23 0.42 -0.15 0.71 0.70 0.00 0.00 175.22 177.13 1qhr s TYR 228 N -0.89 1.36 0.20 0.36 1.51 -0.31 -1.40 117.35 118.19 1qhr s TYR 228 Ca 0.14 -0.28 -0.31 0.00 -1.01 0.00 0.00 57.07 55.61 1qhr s TYR 228 Cb -0.11 -0.89 -0.11 0.00 -0.11 0.00 0.00 41.96 40.74 1qhr s TYR 228 CO 0.03 -0.05 1.59 0.99 -1.11 0.00 0.00 175.55 177.00 1qhr s THR 229 N -0.26 2.42 -0.65 -0.71 2.01 -0.20 -1.80 115.64 116.45 1qhr s THR 229 Ca 0.04 0.32 -0.28 0.00 0.31 0.00 0.00 61.69 62.08 1qhr s THR 229 Cb -0.07 -3.20 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1qhr s THR 229 CO -0.00 0.03 1.28 -2.28 -0.69 0.00 0.00 174.62 172.96 1qhr s HIS 230 N 0.82 2.39 0.10 4.92 2.46 0.32 -2.44 115.29 123.85 1qhr s HIS 230 Ca 0.68 0.24 -0.17 0.00 0.47 0.00 0.00 55.06 56.28 1qhr s HIS 230 Cb -0.45 -4.54 -0.07 0.00 -0.13 0.00 0.00 32.58 27.40 1qhr s HIS 230 CO 0.35 -1.87 1.50 0.28 -2.47 0.00 0.00 174.74 172.53 1qhr h VAL 231 N 6.16 1.28 -0.94 0.89 2.07 -1.62 -2.97 116.25 121.11 1qhr h VAL 231 Ca -0.27 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.25 1qhr h VAL 231 Cb 1.06 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 1qhr h VAL 231 CO 1.23 0.35 0.59 0.15 0.02 0.00 0.00 177.57 179.90 1qhr h PHE 232 N 0.34 1.09 0.00 1.57 3.57 -1.86 -1.32 116.94 120.33 1qhr h PHE 232 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1qhr h PHE 232 Cb 0.54 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1qhr h PHE 232 CO 0.05 0.53 0.00 0.00 -2.23 0.00 0.00 178.31 176.66 1qhr h ARG 233 N 1.04 0.00 -0.29 1.11 3.08 -1.90 -2.04 114.38 115.38 1qhr h ARG 233 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1qhr h ARG 233 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1qhr h ARG 233 CO -0.20 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.98 1qhr n LEU 234 N -2.79 3.28 0.12 3.04 4.77 -0.54 -4.68 117.00 120.20 1qhr n LEU 234 Ca -0.01 -2.46 0.04 0.00 -0.03 0.00 0.00 56.01 53.55 1qhr n LEU 234 Cb 0.13 -0.36 0.44 0.00 -2.33 0.00 0.00 43.42 41.31 1qhr n LEU 234 CO 0.19 0.70 0.98 0.50 -1.33 0.00 0.00 177.39 178.43 1qhr h LYS 235 N 1.79 0.26 -0.69 3.23 3.64 -0.89 -2.53 116.57 121.37 1qhr h LYS 235 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1qhr h LYS 235 Cb 1.03 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1qhr h LYS 235 CO 0.09 0.30 0.31 -0.22 -2.27 0.00 0.00 179.45 177.67 1qhr h LYS 236 N 0.25 0.99 -0.34 1.90 3.11 -1.83 0.11 116.57 120.75 1qhr h LYS 236 Ca 0.06 -0.14 -0.05 0.00 -2.81 0.00 0.00 60.65 57.70 1qhr h LYS 236 Cb 0.21 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 1qhr h LYS 236 CO 0.01 0.78 0.00 2.35 -2.81 0.00 0.00 179.45 179.78 1qhr h TRP 237 N 0.98 0.65 -0.24 1.91 7.01 -1.82 0.26 115.95 124.71 1qhr h TRP 237 Ca 0.24 -0.11 0.06 0.00 2.11 0.00 0.00 58.89 61.18 1qhr h TRP 237 Cb 0.13 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 26.96 1qhr h TRP 237 CO 0.01 0.71 -0.16 0.82 -2.79 0.00 0.00 178.44 177.03 1qhr h ILE 238 N 0.41 0.54 0.13 2.65 2.04 -1.13 0.25 117.51 122.41 1qhr h ILE 238 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 1qhr h ILE 238 Cb 0.45 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1qhr h ILE 238 CO 0.02 0.00 -0.15 1.56 0.00 0.00 0.00 178.15 179.58 1qhr h GLN 239 N -0.15 -0.30 -0.67 2.37 4.20 -0.91 0.47 115.11 120.13 1qhr h GLN 239 Ca 0.14 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.94 1qhr h GLN 239 Cb 0.35 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.10 1qhr h GLN 239 CO -0.33 -0.20 -0.56 -0.22 -0.67 0.00 0.00 178.83 176.85 1qhr h LYS 240 N -0.31 -0.21 -0.21 1.46 3.64 -0.24 0.29 116.57 120.99 1qhr h LYS 240 Ca 0.01 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1qhr h LYS 240 Cb 0.30 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1qhr h LYS 240 CO -0.05 -0.14 -0.23 -0.39 -2.27 0.00 0.00 179.45 176.38 1qhr h VAL 241 N -0.22 1.25 0.00 2.00 -1.51 -0.28 0.81 116.25 118.29 1qhr h VAL 241 Ca 0.12 -1.15 -0.00 0.00 -1.23 0.00 0.00 66.70 64.45 1qhr h VAL 241 Cb 0.52 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 31.02 1qhr h VAL 241 CO -0.75 0.36 -0.00 0.16 -1.23 0.00 0.00 177.57 176.11 1qhr h ILE 242 N 0.34 0.00 -0.19 7.19 3.07 -0.55 -3.15 117.51 124.21 1qhr h ILE 242 Ca 0.05 -0.96 -0.15 0.00 1.55 0.00 0.00 64.86 65.35 1qhr h ILE 242 Cb 0.59 1.96 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 1qhr h ILE 242 CO 0.04 0.00 -0.48 0.44 -1.05 0.00 0.00 178.15 177.10 1qhr h ASP 243 N 0.00 0.76 -0.22 2.16 3.32 -0.21 -3.05 116.42 119.17 1qhr h ASP 243 Ca -0.00 -0.57 -0.02 0.00 0.02 0.00 0.00 57.03 56.46 1qhr h ASP 243 Cb 0.96 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1qhr h ASP 243 CO 0.00 1.19 0.08 1.56 -1.72 0.00 0.00 179.24 180.35 1qhr h GLN 244 N 0.36 0.41 -1.51 3.56 1.08 -0.85 -3.39 115.11 114.78 1qhr h GLN 244 Ca -0.00 -0.05 -0.21 0.00 -1.45 0.00 0.00 58.65 56.93 1qhr h GLN 244 Cb 1.09 -0.08 -0.26 0.00 -0.05 0.00 0.00 27.48 28.19 1qhr h GLN 244 CO 0.10 0.37 -0.56 0.12 -0.95 0.00 0.00 178.83 177.92 1qhr s PHE 245 N -5.14 -1.02 0.00 2.96 5.36 -1.19 -4.90 117.98 114.05 1qhr s PHE 245 Ca -0.07 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 1qhr s PHE 245 Cb 0.16 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 1qhr s PHE 245 CO 0.73 -1.06 0.00 0.41 -1.46 0.00 0.00 175.22 173.84 1qhr n GLY 246 N 4.50 0.88 0.00 13.12 0.00 -1.15 -4.96 105.19 117.58 1qhr n GLY 246 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1qhr n GLY 246 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48