#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tmt s VAL 17 N 0.00 5.32 -1.42 1.39 1.01 0.08 -4.23 120.40 122.56 1tmt s VAL 17 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 1tmt s VAL 17 Cb 0.00 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1tmt s VAL 17 CO 0.00 0.47 1.11 -0.62 0.00 0.00 0.00 175.10 176.07 1tmt n GLU 18 N 2.97 -7.12 0.00 2.72 -0.58 -1.26 -2.25 120.64 115.12 1tmt n GLU 18 Ca -0.14 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1tmt n GLU 18 Cb 0.53 -5.75 0.00 0.00 -0.57 0.00 0.00 31.44 25.64 1tmt n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tmt n GLY 19 N -1.90 3.27 3.39 0.62 0.00 -1.26 -4.59 105.19 104.72 1tmt n GLY 19 Ca 0.02 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 1tmt n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tmt s SER 20 N -0.47 -0.08 0.31 1.61 1.04 -0.22 -4.93 113.70 110.97 1tmt s SER 20 Ca 0.00 -0.67 -0.29 0.00 0.48 0.00 0.00 55.95 55.47 1tmt s SER 20 Cb 0.00 0.48 -0.10 0.00 0.10 0.00 0.00 66.02 66.50 1tmt s SER 20 CO 0.00 -0.93 1.42 -1.81 0.98 0.00 0.00 173.24 172.90 1tmt s ASP 21 N -2.91 6.59 0.82 7.02 1.01 -1.26 -1.58 116.67 126.36 1tmt s ASP 21 Ca 0.12 2.79 -0.11 0.00 0.71 0.00 0.00 52.55 56.06 1tmt s ASP 21 Cb 0.02 -2.64 0.08 0.00 1.01 0.00 0.00 42.92 41.39 1tmt s ASP 21 CO -0.03 -0.71 1.09 0.00 0.21 0.00 0.00 175.17 175.74 1tmt s ALA 22 N -0.67 2.01 0.26 5.23 0.00 0.20 -4.82 121.76 123.98 1tmt s ALA 22 Ca 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 1tmt s ALA 22 Cb -0.43 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1tmt s ALA 22 CO 0.52 -1.94 0.48 -2.00 0.00 0.00 0.00 175.76 172.82 1tmt s GLU 23 N -4.99 3.55 0.39 0.00 2.12 -1.26 -4.94 118.70 113.57 1tmt s GLU 23 Ca 0.62 -0.23 -0.27 0.00 0.36 0.00 0.00 54.97 55.45 1tmt s GLU 23 Cb -0.16 -2.73 -0.10 0.00 0.26 0.00 0.00 34.13 31.39 1tmt s GLU 23 CO 0.56 0.28 1.41 0.42 -0.54 0.00 0.00 175.26 177.39 1tmt s ILE 24 N -2.04 2.27 0.00 -3.70 1.01 -1.26 -2.39 121.20 115.08 1tmt s ILE 24 Ca 0.41 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1tmt s ILE 24 Cb -0.11 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1tmt s ILE 24 CO 0.31 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1tmt n GLY 25 N 0.58 0.31 0.25 6.18 0.00 -1.26 -4.87 105.19 106.39 1tmt n GLY 25 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1tmt n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1tmt h MET 26 N 0.88 0.08 -1.81 1.61 4.05 -1.84 -3.33 114.93 114.57 1tmt h MET 26 Ca 0.00 -0.01 -0.48 0.00 -0.28 0.00 0.00 59.70 58.93 1tmt h MET 26 Cb 0.17 -0.02 -0.37 0.00 -0.80 0.00 0.00 31.60 30.58 1tmt h MET 26 CO 0.00 0.12 -1.11 0.43 0.23 0.00 0.00 176.91 176.58 1tmt n SER 27 N -4.45 0.36 0.00 1.39 7.64 -1.26 -4.97 113.62 112.33 1tmt n SER 27 Ca -0.02 -2.99 0.01 0.00 1.01 0.00 0.00 58.87 56.88 1tmt n SER 27 Cb 0.14 -0.39 0.04 0.00 -1.01 0.00 0.00 64.21 63.00 1tmt n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1tmt n PRO 28 N 0.59 0.05 0.00 1.43 -0.04 -1.25 -0.97 135.00 134.81 1tmt n PRO 28 Ca 0.22 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 1tmt n PRO 28 Cb 0.63 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.64 1tmt n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1tmt n TRP 29 N -0.94 0.00 -2.14 0.54 2.14 -1.20 -1.53 117.44 114.31 1tmt n TRP 29 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 1tmt n TRP 29 Cb 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 1tmt n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1tmt s GLN 30 N -2.30 4.28 0.18 -2.67 2.00 -0.14 -0.86 119.66 120.15 1tmt s GLN 30 Ca 0.16 2.09 0.10 0.00 -2.00 0.00 0.00 55.36 55.71 1tmt s GLN 30 Cb 0.16 -3.42 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 1tmt s GLN 30 CO 0.52 -0.54 -0.22 0.08 -0.50 0.00 0.00 175.29 174.64 1tmt s VAL 31 N 1.82 2.12 -0.16 1.34 1.01 -0.94 -4.01 120.40 121.59 1tmt s VAL 31 Ca 0.66 -1.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.68 1tmt s VAL 31 Cb -0.36 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1tmt s VAL 31 CO 0.29 -0.18 -0.14 -0.32 0.00 0.00 0.00 175.10 174.75 1tmt s MET 32 N -2.66 3.27 -0.40 2.72 1.75 -0.16 -1.83 119.30 121.98 1tmt s MET 32 Ca 0.18 -0.72 -0.23 0.00 -1.25 0.00 0.00 55.69 53.67 1tmt s MET 32 Cb -0.07 -2.67 0.01 0.00 2.84 0.00 0.00 34.83 34.95 1tmt s MET 32 CO 0.08 0.04 0.76 -0.51 -0.65 0.00 0.00 175.02 174.74 1tmt s LEU 33 N 0.78 4.20 -0.15 4.11 1.43 -0.26 -1.60 118.68 127.19 1tmt s LEU 33 Ca -0.05 0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1tmt s LEU 33 Cb -0.15 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 1tmt s LEU 33 CO 0.01 -0.79 -0.13 0.12 0.23 0.00 0.00 176.35 175.79 1tmt s PHE 34 N 3.12 2.80 0.09 0.29 5.36 -0.08 -0.88 117.98 128.69 1tmt s PHE 34 Ca 0.30 -0.82 -0.26 0.00 -0.96 0.00 0.00 56.93 55.19 1tmt s PHE 34 Cb -0.13 -1.88 -0.06 0.00 -0.34 0.00 0.00 43.02 40.61 1tmt s PHE 34 CO 0.19 -0.34 0.80 0.50 -1.46 0.00 0.00 175.22 174.91 1tmt s ARG 35 N 0.61 4.55 0.13 10.12 3.52 0.91 -2.03 118.95 136.76 1tmt s ARG 35 Ca -0.08 1.15 -0.16 0.00 -0.13 0.00 0.00 55.73 56.51 1tmt s ARG 35 Cb -0.16 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 1tmt s ARG 35 CO 0.03 0.36 1.68 0.87 -0.81 0.00 0.00 175.30 177.44 1tmt h LYS 36 N 5.23 0.57 -2.27 5.12 1.57 -1.67 -3.17 116.57 121.94 1tmt h LYS 36 Ca -0.45 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.21 1tmt h LYS 36 Cb 1.21 -0.09 -0.24 0.00 0.08 0.00 0.00 32.23 33.18 1tmt h LYS 36 CO 0.69 0.53 -0.27 -1.12 -0.57 0.00 0.00 179.45 178.71 1tmt s SER 36 N -5.81 -0.62 0.71 0.86 0.01 -1.26 -3.70 113.70 103.88 1tmt s SER 36 Ca -0.13 1.21 -0.11 0.00 1.31 0.00 0.00 55.95 58.22 1tmt s SER 36 Cb 0.10 1.74 0.02 0.00 0.21 0.00 0.00 66.02 68.09 1tmt s SER 36 CO 0.75 -0.23 1.07 -2.16 0.41 0.00 0.00 173.24 173.08 1tmt s PRO 37 N 2.73 2.72 0.19 12.44 0.04 -1.26 -5.07 135.00 146.79 1tmt s PRO 37 Ca -0.03 1.08 -0.33 0.00 0.04 0.00 0.00 61.00 61.76 1tmt s PRO 37 Cb -0.12 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 1tmt s PRO 37 CO -0.15 -1.28 1.46 1.04 0.04 0.00 0.00 177.00 178.10 1tmt n GLN 38 N -3.14 1.96 -3.60 4.56 6.02 -1.24 -4.61 117.38 117.33 1tmt n GLN 38 Ca 0.08 0.70 -0.11 0.00 -0.01 0.00 0.00 57.00 57.66 1tmt n GLN 38 Cb 0.53 -2.39 -0.06 0.00 1.02 0.00 0.00 30.24 29.34 1tmt n GLN 38 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1tmt s GLU 39 N 0.20 0.63 -0.44 -1.09 2.12 -1.20 -4.91 118.70 114.01 1tmt s GLU 39 Ca 0.74 0.42 -0.25 0.00 0.36 0.00 0.00 54.97 56.25 1tmt s GLU 39 Cb -0.70 0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.02 1tmt s GLU 39 CO 0.45 -0.14 0.88 -1.17 -0.54 0.00 0.00 175.26 174.73 1tmt s LEU 40 N -0.42 4.08 -0.15 2.70 0.20 -1.26 -0.06 118.68 123.77 1tmt s LEU 40 Ca -0.01 0.15 -0.17 0.00 0.69 0.00 0.00 54.13 54.79 1tmt s LEU 40 Cb -0.03 -3.13 -0.15 0.00 -0.43 0.00 0.00 46.19 42.46 1tmt s LEU 40 CO -0.01 -0.96 0.32 -0.07 -0.29 0.00 0.00 176.35 175.34 1tmt h LEU 41 N 10.31 0.00 -7.95 -0.68 3.38 -1.37 -3.48 115.31 115.52 1tmt h LEU 41 Ca -0.24 -0.50 0.15 0.00 0.09 0.00 0.00 57.88 57.38 1tmt h LEU 41 Cb 1.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1tmt h LEU 41 CO 0.99 0.95 0.56 0.00 0.09 0.00 0.00 178.44 181.03 1tmt s GLY 43 N -3.37 1.84 0.21 0.00 0.00 0.83 -1.10 107.32 105.73 1tmt s GLY 43 Ca 0.21 -1.41 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 1tmt s GLY 43 CO 0.06 -1.17 0.40 0.00 0.00 0.00 0.00 173.10 172.39 1tmt n ALA 44 N -2.17 -0.85 -3.13 3.20 0.00 -0.76 -3.58 120.51 113.21 1tmt n ALA 44 Ca 0.07 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1tmt n ALA 44 Cb 0.59 0.55 -0.11 0.00 0.00 0.00 0.00 19.45 20.49 1tmt n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1tmt s SER 45 N -2.10 -0.17 -0.35 0.00 0.15 -0.53 -2.20 113.70 108.50 1tmt s SER 45 Ca 0.09 0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.80 1tmt s SER 45 Cb -0.02 0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1tmt s SER 45 CO 0.07 -0.21 0.56 -0.22 1.20 0.00 0.00 173.24 174.64 1tmt s LEU 46 N -0.46 4.31 0.00 3.45 2.96 -0.04 -0.69 118.68 128.21 1tmt s LEU 46 Ca -0.06 0.05 0.18 0.00 -0.22 0.00 0.00 54.13 54.08 1tmt s LEU 46 Cb -0.04 -2.66 -0.12 0.00 0.50 0.00 0.00 46.19 43.87 1tmt s LEU 46 CO 0.01 -0.52 0.81 2.30 -1.32 0.00 0.00 176.35 177.63 1tmt n ILE 47 N 5.48 0.00 -3.98 6.68 -5.35 -0.77 -1.13 119.36 120.30 1tmt n ILE 47 Ca -0.03 -0.17 0.02 0.00 -0.27 0.00 0.00 62.75 62.29 1tmt n ILE 47 Cb 0.49 1.08 0.01 0.00 -1.74 0.00 0.00 39.64 39.48 1tmt n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1tmt n SER 48 N -0.94 -1.22 0.00 7.28 3.41 -1.23 -4.78 113.62 116.14 1tmt n SER 48 Ca 0.05 -1.35 0.08 0.00 -0.26 0.00 0.00 58.87 57.38 1tmt n SER 48 Cb 0.31 1.92 0.40 0.00 -0.26 0.00 0.00 64.21 66.58 1tmt n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1tmt n ASP 49 N -1.07 0.00 0.00 4.04 5.75 -1.26 -3.70 116.55 120.31 1tmt n ASP 49 Ca 0.03 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1tmt n ASP 49 Cb 0.54 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1tmt n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tmt n ARG 50 N -1.27 -0.26 -4.97 0.11 1.74 -1.26 -0.62 116.66 110.12 1tmt n ARG 50 Ca 0.08 -0.16 -0.27 0.00 -0.77 0.00 0.00 57.85 56.72 1tmt n ARG 50 Cb 0.12 -0.64 -0.15 0.00 -1.02 0.00 0.00 32.46 30.77 1tmt n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1tmt s TRP 51 N -0.01 1.92 0.03 -1.55 0.52 -1.24 0.46 118.94 119.07 1tmt s TRP 51 Ca 0.00 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 55.81 1tmt s TRP 51 Cb 0.00 -1.21 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 1tmt s TRP 51 CO 0.00 -0.00 -0.17 0.08 0.02 0.00 0.00 176.95 176.88 1tmt s VAL 52 N -0.57 1.35 -0.05 4.03 1.01 -0.73 -1.85 120.40 123.59 1tmt s VAL 52 Ca 0.08 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1tmt s VAL 52 Cb -0.08 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1tmt s VAL 52 CO -0.00 0.13 -0.08 -0.22 0.00 0.00 0.00 175.10 174.93 1tmt s LEU 53 N -1.06 3.11 0.00 3.92 2.96 0.13 -1.64 118.68 126.10 1tmt s LEU 53 Ca 0.04 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.77 1tmt s LEU 53 Cb -0.08 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 44.96 1tmt s LEU 53 CO 0.01 0.34 0.70 1.07 -1.32 0.00 0.00 176.35 177.16 1tmt n THR 54 N 2.09 0.00 -2.96 3.68 5.66 0.16 -1.45 114.28 121.46 1tmt n THR 54 Ca -0.17 -1.24 -0.40 0.00 -3.05 0.00 0.00 64.05 59.19 1tmt n THR 54 Cb 0.53 1.03 -0.06 0.00 -1.55 0.00 0.00 70.33 70.28 1tmt n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tmt s ALA 55 N -2.30 3.43 0.23 1.79 0.00 -1.26 -1.09 121.76 122.56 1tmt s ALA 55 Ca 0.20 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 1tmt s ALA 55 Cb -0.04 -2.98 0.21 0.00 0.00 0.00 0.00 23.12 20.31 1tmt s ALA 55 CO 0.15 0.26 1.88 0.00 0.00 0.00 0.00 175.76 178.05 1tmt h ALA 56 N 4.48 1.15 0.00 0.00 0.00 -1.70 -1.86 119.26 121.32 1tmt h ALA 56 Ca -0.46 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1tmt h ALA 56 Cb 1.21 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1tmt h ALA 56 CO 0.67 0.59 0.00 -2.39 0.00 0.00 0.00 179.25 178.12 1tmt n HIS 57 N -4.41 0.00 0.15 0.00 1.44 -1.26 -0.94 115.22 110.21 1tmt n HIS 57 Ca 0.10 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.82 1tmt n HIS 57 Cb 0.05 -0.31 0.18 0.00 0.12 0.00 0.00 29.99 30.02 1tmt n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tmt n LEU 59 N -3.57 0.00 -3.59 0.00 4.77 -0.11 -4.91 117.00 109.58 1tmt n LEU 59 Ca -0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1tmt n LEU 59 Cb 0.63 0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 41.83 1tmt n LEU 59 CO 0.41 0.26 -0.27 -0.22 -1.33 0.00 0.00 177.39 176.24 1tmt s LEU 60 N -4.77 0.08 0.27 2.23 2.96 -0.28 -1.32 118.68 117.86 1tmt s LEU 60 Ca -0.06 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.46 1tmt s LEU 60 Cb 0.05 0.09 0.01 0.00 0.50 0.00 0.00 46.19 46.84 1tmt s LEU 60 CO 0.54 -0.31 0.62 -0.47 -1.32 0.00 0.00 176.35 175.40 1tmt s TYR 60 N 2.24 0.09 0.00 5.38 5.04 0.51 -4.01 117.35 126.59 1tmt s TYR 60 Ca 0.04 -0.51 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 1tmt s TYR 60 Cb -0.15 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.64 1tmt s TYR 60 CO -0.09 -1.15 0.00 -2.30 -1.34 0.00 0.00 175.55 170.67 1tmt n PRO 60 N -0.43 0.00 -0.04 4.97 -0.02 -1.26 -2.32 135.00 135.90 1tmt n PRO 60 Ca -0.03 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.48 1tmt n PRO 60 Cb 0.60 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.12 1tmt n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1tmt n TRP 60 N 0.00 0.00 -2.32 6.00 8.01 -1.26 -4.99 117.44 122.88 1tmt n TRP 60 Ca 0.00 -0.58 -0.09 0.00 -1.31 0.00 0.00 57.50 55.52 1tmt n TRP 60 Cb 0.00 -0.07 0.00 0.00 -2.01 0.00 0.00 31.31 29.23 1tmt n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1tmt n ASP 60 N -0.71 -3.19 -4.56 -0.99 8.00 -1.11 -5.02 116.55 108.98 1tmt n ASP 60 Ca 0.05 -0.05 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 1tmt n ASP 60 Cb 0.40 -2.34 -0.11 0.00 -0.02 0.00 0.00 41.12 39.04 1tmt n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tmt s LYS 60 N -4.65 3.82 -0.44 -1.24 1.02 -0.98 -4.96 119.74 112.31 1tmt s LYS 60 Ca 0.05 -0.42 0.07 0.00 0.02 0.00 0.00 55.97 55.68 1tmt s LYS 60 Cb -0.02 -3.14 0.25 0.00 -0.52 0.00 0.00 37.83 34.41 1tmt s LYS 60 CO 0.06 0.18 0.76 -1.71 -0.92 0.00 0.00 175.35 173.72 1tmt n ASN 60 N 3.78 -1.52 -4.82 2.83 2.85 -1.23 -0.37 115.26 116.79 1tmt n ASN 60 Ca -0.17 -3.09 -0.33 0.00 -0.11 0.00 0.00 54.58 50.89 1tmt n ASN 60 Cb 0.52 0.79 -0.06 0.00 1.24 0.00 0.00 39.78 42.27 1tmt n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1tmt s PHE 60 N -0.19 3.26 0.44 1.20 0.08 -0.43 -5.03 117.98 117.31 1tmt s PHE 60 Ca 0.33 1.59 0.07 0.00 0.12 0.00 0.00 56.93 59.04 1tmt s PHE 60 Cb 0.22 -2.88 -0.02 0.00 -0.57 0.00 0.00 43.02 39.76 1tmt s PHE 60 CO -0.18 -0.28 0.32 0.95 -0.10 0.00 0.00 175.22 175.93 1tmt s THR 60 N -2.20 2.32 0.43 0.64 -4.23 -1.26 -4.92 115.64 106.42 1tmt s THR 60 Ca 0.63 -1.49 0.15 0.00 -1.18 0.00 0.00 61.69 59.79 1tmt s THR 60 Cb -0.10 -2.81 0.34 0.00 1.34 0.00 0.00 72.50 71.27 1tmt s THR 60 CO 0.16 0.00 1.95 -0.33 -0.54 0.00 0.00 174.62 175.86 1tmt h GLU 61 N 1.10 0.40 -0.00 3.99 3.07 -1.94 -1.44 114.58 119.76 1tmt h GLU 61 Ca -0.41 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1tmt h GLU 61 Cb 1.27 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1tmt h GLU 61 CO 0.62 0.27 -0.05 0.09 -1.40 0.00 0.00 179.01 178.53 1tmt n ASN 62 N -4.47 0.27 -0.32 1.42 5.03 -1.26 -3.63 115.26 112.29 1tmt n ASN 62 Ca 0.12 -0.55 0.13 0.00 0.87 0.00 0.00 54.58 55.15 1tmt n ASN 62 Cb 0.46 -0.13 0.37 0.00 -1.02 0.00 0.00 39.78 39.47 1tmt n ASN 62 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1tmt n ASP 63 N -1.03 1.23 -4.36 6.41 9.92 -0.54 -4.92 116.55 123.26 1tmt n ASP 63 Ca 0.16 -1.07 -0.18 0.00 -0.53 0.00 0.00 54.79 53.17 1tmt n ASP 63 Cb 0.24 0.13 -0.10 0.00 -0.64 0.00 0.00 41.12 40.75 1tmt n ASP 63 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1tmt s LEU 64 N -2.40 2.33 0.02 0.64 1.02 -1.24 -1.74 118.68 117.32 1tmt s LEU 64 Ca 0.27 -1.18 -0.02 0.00 0.02 0.00 0.00 54.13 53.21 1tmt s LEU 64 Cb 0.19 -0.42 -0.02 0.00 0.02 0.00 0.00 46.19 45.97 1tmt s LEU 64 CO 0.48 -0.43 0.01 -0.76 0.02 0.00 0.00 176.35 175.68 1tmt s LEU 65 N -3.34 2.11 -0.08 1.79 1.43 -0.86 -4.45 118.68 115.27 1tmt s LEU 65 Ca 0.28 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1tmt s LEU 65 Cb 0.04 0.24 -0.02 0.00 0.03 0.00 0.00 46.19 46.49 1tmt s LEU 65 CO 0.09 -0.34 -0.17 -0.69 0.23 0.00 0.00 176.35 175.46 1tmt s VAL 66 N -1.68 2.73 -0.18 -1.59 1.01 -0.79 -0.90 120.40 119.01 1tmt s VAL 66 Ca -0.14 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1tmt s VAL 66 Cb -0.08 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.26 1tmt s VAL 66 CO -0.01 0.56 -0.11 -0.13 0.00 0.00 0.00 175.10 175.41 1tmt s ARG 67 N -0.14 2.02 0.10 2.72 0.52 -0.63 -0.51 118.95 123.04 1tmt s ARG 67 Ca -0.02 -0.71 0.07 0.00 -0.52 0.00 0.00 55.73 54.56 1tmt s ARG 67 Cb -0.14 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1tmt s ARG 67 CO 0.04 -0.37 -0.11 0.42 0.02 0.00 0.00 175.30 175.30 1tmt s ILE 68 N 1.46 3.30 0.00 1.52 1.01 0.11 -0.99 121.20 127.60 1tmt s ILE 68 Ca 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1tmt s ILE 68 Cb -0.15 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1tmt s ILE 68 CO -0.09 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1tmt n GLY 69 N 0.72 0.51 3.90 6.18 0.00 -1.26 -1.19 105.19 114.06 1tmt n GLY 69 Ca -0.14 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 1tmt n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tmt s LYS 70 N -1.31 3.50 0.09 1.61 1.02 -1.26 -4.31 119.74 119.08 1tmt s LYS 70 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.26 1tmt s LYS 70 Cb 0.00 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1tmt s LYS 70 CO 0.00 -0.30 0.00 1.58 -0.92 0.00 0.00 175.35 175.71 1tmt n HIS 71 N -2.36 -0.64 -2.54 3.18 -0.00 -1.26 -4.93 115.22 106.67 1tmt n HIS 71 Ca 0.02 0.11 -0.41 0.00 -0.00 0.00 0.00 57.72 57.44 1tmt n HIS 71 Cb 0.55 0.32 -0.04 0.00 -0.00 0.00 0.00 29.99 30.82 1tmt n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1tmt s SER 72 N -5.17 7.32 0.08 0.26 0.15 -1.26 0.41 113.70 115.49 1tmt s SER 72 Ca 0.00 2.11 -0.15 0.00 0.70 0.00 0.00 55.95 58.61 1tmt s SER 72 Cb 0.00 -2.61 -0.17 0.00 -1.71 0.00 0.00 66.02 61.53 1tmt s SER 72 CO 0.00 -0.15 1.28 -0.09 1.20 0.00 0.00 173.24 175.48 1tmt h ARG 73 N 4.67 0.69 0.02 5.44 2.43 -1.52 -3.39 114.38 122.72 1tmt h ARG 73 Ca -0.45 -0.56 -0.36 0.00 -0.81 0.00 0.00 59.98 57.80 1tmt h ARG 73 Cb 1.21 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.82 1tmt h ARG 73 CO 0.70 1.18 -2.18 0.25 -1.51 0.00 0.00 179.97 178.41 1tmt n THR 74 N -4.05 1.54 -2.11 0.20 -2.24 -1.26 -5.01 114.28 101.34 1tmt n THR 74 Ca -0.08 -0.73 -0.39 0.00 -2.27 0.00 0.00 64.05 60.58 1tmt n THR 74 Cb 0.69 -1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1tmt n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1tmt s ARG 75 N -2.54 3.93 -0.71 -0.78 1.81 -1.26 -4.98 118.95 114.44 1tmt s ARG 75 Ca -0.17 2.05 -0.21 0.00 -1.72 0.00 0.00 55.73 55.68 1tmt s ARG 75 Cb 0.07 -2.69 0.09 0.00 -0.45 0.00 0.00 34.95 31.97 1tmt s ARG 75 CO 0.76 -0.49 0.96 -0.47 -0.68 0.00 0.00 175.30 175.39 1tmt s TYR 76 N -1.32 2.80 -1.27 -0.53 5.04 -1.26 -4.88 117.35 115.94 1tmt s TYR 76 Ca 0.58 -0.77 -0.19 0.00 -2.44 0.00 0.00 57.07 54.25 1tmt s TYR 76 Cb -0.36 -4.26 0.01 0.00 0.35 0.00 0.00 41.96 37.71 1tmt s TYR 76 CO 0.45 -1.57 1.88 0.39 -1.34 0.00 0.00 175.55 175.36 1tmt n GLU 77 N 7.30 2.68 -1.63 4.97 1.02 -1.26 -4.93 120.64 128.79 1tmt n GLU 77 Ca 0.01 -2.89 -0.54 0.00 -0.02 0.00 0.00 57.16 53.73 1tmt n GLU 77 Cb 0.46 -3.47 -0.06 0.00 -0.02 0.00 0.00 31.44 28.35 1tmt n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1tmt n ARG 77 N 7.86 1.16 -0.97 3.49 1.74 -1.26 -1.41 116.66 127.26 1tmt n ARG 77 Ca 0.49 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 1tmt n ARG 77 Cb 0.44 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 1tmt n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1tmt n ASN 78 N 3.52 -3.80 0.02 0.55 3.02 -1.26 -4.76 115.26 112.55 1tmt n ASN 78 Ca 0.21 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.75 1tmt n ASN 78 Cb 0.17 -1.75 -0.00 0.00 -0.61 0.00 0.00 39.78 37.59 1tmt n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1tmt n ILE 79 N -2.48 1.03 -1.99 2.41 5.41 -0.50 -5.06 119.36 118.19 1tmt n ILE 79 Ca 0.00 0.31 -0.33 0.00 1.00 0.00 0.00 62.75 63.74 1tmt n ILE 79 Cb 0.20 -1.58 0.02 0.00 -0.71 0.00 0.00 39.64 37.56 1tmt n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1tmt s GLU 80 N -1.92 3.25 -0.06 0.38 -1.05 -0.54 -4.81 118.70 113.96 1tmt s GLU 80 Ca -0.04 1.20 0.03 0.00 -0.15 0.00 0.00 54.97 56.01 1tmt s GLU 80 Cb 0.00 -2.02 0.00 0.00 -0.44 0.00 0.00 34.13 31.68 1tmt s GLU 80 CO 0.05 -0.86 -0.15 0.15 0.95 0.00 0.00 175.26 175.39 1tmt s LYS 81 N -4.16 1.83 -0.17 -4.83 3.01 -0.33 -4.89 119.74 110.20 1tmt s LYS 81 Ca 0.63 -0.54 -0.03 0.00 -1.01 0.00 0.00 55.97 55.02 1tmt s LYS 81 Cb -0.16 -1.53 -0.02 0.00 -1.01 0.00 0.00 37.83 35.11 1tmt s LYS 81 CO 0.39 0.14 -0.05 0.42 0.51 0.00 0.00 175.35 176.76 1tmt s ILE 82 N 0.32 3.63 0.16 2.17 1.01 -1.26 -0.72 121.20 126.52 1tmt s ILE 82 Ca -0.10 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1tmt s ILE 82 Cb -0.14 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1tmt s ILE 82 CO 0.03 0.48 -0.16 -0.44 0.00 0.00 0.00 174.94 174.85 1tmt s SER 83 N 0.66 2.44 0.03 3.58 0.01 0.33 -4.98 113.70 115.77 1tmt s SER 83 Ca -0.03 -0.89 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 1tmt s SER 83 Cb -0.15 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1tmt s SER 83 CO 0.02 -0.11 0.16 -0.04 0.41 0.00 0.00 173.24 173.69 1tmt s MET 84 N -3.01 3.31 0.02 12.44 -1.94 -1.26 -1.88 119.30 126.98 1tmt s MET 84 Ca 0.16 -0.44 -0.23 0.00 -1.71 0.00 0.00 55.69 53.47 1tmt s MET 84 Cb -0.04 -2.99 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 1tmt s MET 84 CO 0.05 0.63 0.70 -0.51 -0.01 0.00 0.00 175.02 175.89 1tmt s LEU 85 N -2.17 4.42 -0.15 -0.03 1.43 -1.26 0.12 118.68 121.04 1tmt s LEU 85 Ca 0.30 1.33 -0.18 0.00 -1.03 0.00 0.00 54.13 54.55 1tmt s LEU 85 Cb -0.13 -3.12 -0.24 0.00 0.03 0.00 0.00 46.19 42.74 1tmt s LEU 85 CO 0.22 0.03 0.42 -0.08 0.23 0.00 0.00 176.35 177.17 1tmt h GLU 86 N 5.78 0.13 -1.81 1.70 4.81 -0.55 -3.44 114.58 121.20 1tmt h GLU 86 Ca -0.44 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 1tmt h GLU 86 Cb 1.20 0.08 -0.21 0.00 0.63 0.00 0.00 28.75 30.45 1tmt h GLU 86 CO 0.71 1.11 0.33 0.21 -0.73 0.00 0.00 179.01 180.63 1tmt s LYS 87 N -2.42 0.81 0.01 1.92 2.20 -1.15 -4.99 119.74 116.12 1tmt s LYS 87 Ca -0.24 0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.78 1tmt s LYS 87 Cb 0.05 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.71 1tmt s LYS 87 CO 0.69 -0.21 -0.01 0.42 -0.36 0.00 0.00 175.35 175.88 1tmt s ILE 88 N -0.74 4.05 -0.05 5.43 1.01 -1.26 -0.32 121.20 129.32 1tmt s ILE 88 Ca -0.05 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1tmt s ILE 88 Cb -0.02 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1tmt s ILE 88 CO 0.04 0.36 -0.14 -0.31 0.00 0.00 0.00 174.94 174.89 1tmt s TYR 89 N -1.09 1.50 0.00 3.97 1.51 0.33 -4.97 117.35 118.60 1tmt s TYR 89 Ca 0.20 -0.47 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 1tmt s TYR 89 Cb -0.11 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1tmt s TYR 89 CO 0.10 -0.20 -0.17 0.42 -1.11 0.00 0.00 175.55 174.59 1tmt s ILE 90 N 0.28 2.82 0.13 2.71 1.01 -1.26 -0.71 121.20 126.18 1tmt s ILE 90 Ca -0.08 -1.02 -0.31 0.00 0.00 0.00 0.00 60.65 59.24 1tmt s ILE 90 Cb -0.12 -2.14 -0.10 0.00 0.01 0.00 0.00 42.46 40.11 1tmt s ILE 90 CO 0.03 0.44 1.68 -2.28 0.00 0.00 0.00 174.94 174.81 1tmt s HIS 91 N -0.83 2.63 0.66 3.97 5.65 -1.16 -4.83 115.29 121.38 1tmt s HIS 91 Ca 0.13 0.34 0.32 0.00 0.25 0.00 0.00 55.06 56.11 1tmt s HIS 91 Cb -0.10 -4.03 1.77 0.00 -1.18 0.00 0.00 32.58 29.04 1tmt s HIS 91 CO 0.03 -4.01 2.01 -1.00 -0.65 0.00 0.00 174.74 171.12 1tmt h PRO 92 N 7.69 0.00 -0.35 2.88 0.14 -1.95 -1.46 132.00 138.94 1tmt h PRO 92 Ca -0.43 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.71 1tmt h PRO 92 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.35 1tmt h PRO 92 CO 0.93 0.00 0.00 0.54 0.14 0.00 0.00 178.00 179.61 1tmt n ARG 93 N -3.01 3.28 -1.91 0.86 1.74 -1.26 -5.00 116.66 111.36 1tmt n ARG 93 Ca -0.02 -2.77 -0.41 0.00 -0.77 0.00 0.00 57.85 53.88 1tmt n ARG 93 Cb 0.34 -1.82 -0.01 0.00 -1.02 0.00 0.00 32.46 29.94 1tmt n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1tmt s TYR 94 N -2.45 2.83 -0.55 -1.55 5.04 -0.55 -4.76 117.35 115.36 1tmt s TYR 94 Ca 0.42 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 56.13 1tmt s TYR 94 Cb 0.32 -3.92 0.14 0.00 0.35 0.00 0.00 41.96 38.85 1tmt s TYR 94 CO 0.12 -2.86 0.32 1.21 -1.34 0.00 0.00 175.55 173.00 1tmt s ASN 95 N 0.10 4.68 0.36 4.32 3.84 0.54 -4.93 114.94 123.85 1tmt s ASN 95 Ca 0.57 -2.91 0.18 0.00 0.21 0.00 0.00 52.86 50.90 1tmt s ASN 95 Cb -0.44 -1.72 0.58 0.00 -0.55 0.00 0.00 41.25 39.12 1tmt s ASN 95 CO 0.52 -0.29 1.69 4.11 -2.79 0.00 0.00 177.10 180.33 1tmt h TRP 96 N 6.75 0.00 -0.92 0.43 5.08 -1.92 -1.86 115.95 123.51 1tmt h TRP 96 Ca -0.06 0.00 0.14 0.00 1.08 0.00 0.00 58.89 60.05 1tmt h TRP 96 Cb 0.92 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.99 1tmt h TRP 96 CO 0.59 0.41 0.53 0.00 -1.28 0.00 0.00 178.44 178.69 1tmt h ARG 97 N 0.00 0.77 0.00 0.12 3.08 -1.99 -3.42 114.38 112.94 1tmt h ARG 97 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1tmt h ARG 97 Cb 0.98 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1tmt h ARG 97 CO 0.05 0.51 -0.50 0.39 -1.07 0.00 0.00 179.97 179.34 1tmt n GLU 97 N -4.76 0.00 -0.34 0.04 1.02 -1.26 -5.00 120.64 110.35 1tmt n GLU 97 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1tmt n GLU 97 Cb 0.41 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 1tmt n GLU 97 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1tmt n ASN 98 N -2.21 0.00 -3.19 1.62 0.23 -1.25 -4.88 115.26 105.58 1tmt n ASN 98 Ca 0.00 -1.54 -0.23 0.00 -0.53 0.00 0.00 54.58 52.28 1tmt n ASN 98 Cb 0.25 -0.11 0.05 0.00 -2.08 0.00 0.00 39.78 37.89 1tmt n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1tmt n LEU 99 N 0.00 -2.88 -4.72 -4.53 4.77 -0.70 -4.91 117.00 104.02 1tmt n LEU 99 Ca 0.00 -0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.20 1tmt n LEU 99 Cb 0.61 -3.00 -0.03 0.00 -2.33 0.00 0.00 43.42 38.67 1tmt n LEU 99 CO 0.00 0.35 1.03 -0.62 -1.33 0.00 0.00 177.39 176.82 1tmt s ASP 100 N -2.88 6.86 -0.78 -1.43 2.15 -1.18 -2.89 116.67 116.53 1tmt s ASP 100 Ca 0.39 2.33 -0.04 0.00 0.43 0.00 0.00 52.55 55.66 1tmt s ASP 100 Cb -0.17 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1tmt s ASP 100 CO 0.48 -0.61 0.67 0.54 -0.17 0.00 0.00 175.17 176.08 1tmt n ARG 101 N 3.59 -4.50 -2.17 4.34 1.74 -1.26 -0.34 116.66 118.05 1tmt n ARG 101 Ca 0.10 0.50 -0.35 0.00 -0.77 0.00 0.00 57.85 57.32 1tmt n ARG 101 Cb 0.43 -4.51 -0.04 0.00 -1.02 0.00 0.00 32.46 27.32 1tmt n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1tmt n ASP 102 N -1.51 3.76 -3.66 0.55 2.03 -1.14 -4.41 116.55 112.17 1tmt n ASP 102 Ca -0.05 -2.79 -0.15 0.00 0.52 0.00 0.00 54.79 52.33 1tmt n ASP 102 Cb 0.56 -1.69 -0.07 0.00 -0.72 0.00 0.00 41.12 39.19 1tmt n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1tmt s ILE 103 N 7.72 0.04 -0.02 5.18 2.07 -1.26 -3.66 121.20 131.26 1tmt s ILE 103 Ca 0.61 -0.31 -0.29 0.00 -1.41 0.00 0.00 60.65 59.25 1tmt s ILE 103 Cb 0.03 -0.82 0.08 0.00 0.13 0.00 0.00 42.46 41.88 1tmt s ILE 103 CO 0.10 -0.17 0.74 0.00 -1.91 0.00 0.00 174.94 173.71 1tmt s ALA 104 N -1.57 -1.77 0.10 1.50 0.00 -0.25 -2.98 121.76 116.78 1tmt s ALA 104 Ca -0.11 1.16 0.07 0.00 0.00 0.00 0.00 51.96 53.08 1tmt s ALA 104 Cb -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1tmt s ALA 104 CO 0.04 -0.48 -0.12 -0.51 0.00 0.00 0.00 175.76 174.69 1tmt s LEU 105 N -1.66 2.95 -0.06 0.00 1.43 0.11 -0.66 118.68 120.80 1tmt s LEU 105 Ca -0.05 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1tmt s LEU 105 Cb -0.00 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1tmt s LEU 105 CO 0.01 0.19 -0.04 -0.04 0.23 0.00 0.00 176.35 176.71 1tmt s MET 106 N -2.11 0.82 -0.18 1.70 -1.94 -0.65 0.12 119.30 117.06 1tmt s MET 106 Ca 0.20 -0.06 -0.14 0.00 -1.71 0.00 0.00 55.69 53.97 1tmt s MET 106 Cb -0.11 -0.92 -0.04 0.00 2.01 0.00 0.00 34.83 35.76 1tmt s MET 106 CO 0.12 -0.15 0.32 0.21 -0.01 0.00 0.00 175.02 175.51 1tmt s LYS 107 N 1.23 4.22 0.63 2.03 2.20 0.57 -1.77 119.74 128.84 1tmt s LYS 107 Ca -0.06 0.10 -0.15 0.00 -0.36 0.00 0.00 55.97 55.50 1tmt s LYS 107 Cb -0.14 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1tmt s LYS 107 CO -0.02 0.13 1.09 -0.51 -0.36 0.00 0.00 175.35 175.68 1tmt s LEU 108 N 0.80 3.44 0.18 5.43 1.43 0.17 0.08 118.68 130.22 1tmt s LEU 108 Ca 0.17 1.92 -0.07 0.00 -1.03 0.00 0.00 54.13 55.11 1tmt s LEU 108 Cb -0.14 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.60 1tmt s LEU 108 CO 0.05 -1.41 1.54 0.50 0.23 0.00 0.00 176.35 177.26 1tmt h LYS 109 N 0.23 0.83 -4.18 1.70 3.64 -0.60 -3.39 116.57 114.80 1tmt h LYS 109 Ca -0.47 -0.41 -0.17 0.00 -1.27 0.00 0.00 60.65 58.33 1tmt h LYS 109 Cb 1.23 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.87 1tmt h LYS 109 CO 0.56 1.04 -0.70 0.15 -2.27 0.00 0.00 179.45 178.23 1tmt s LYS 110 N -4.42 0.46 0.47 1.90 1.02 -1.26 -4.96 119.74 112.96 1tmt s LYS 110 Ca -0.10 -0.85 -0.22 0.00 0.02 0.00 0.00 55.97 54.82 1tmt s LYS 110 Cb 0.12 0.06 -0.07 0.00 -0.52 0.00 0.00 37.83 37.42 1tmt s LYS 110 CO 0.86 -0.05 1.14 -2.14 -0.92 0.00 0.00 175.35 174.24 1tmt s PRO 111 N -2.33 3.71 0.16 -1.68 0.02 -1.26 -4.88 135.00 128.74 1tmt s PRO 111 Ca -0.07 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 62.53 1tmt s PRO 111 Cb -0.04 -2.31 -0.07 0.00 0.02 0.00 0.00 34.50 32.10 1tmt s PRO 111 CO -0.04 -0.57 0.51 0.54 -0.33 0.00 0.00 177.00 177.11 1tmt s VAL 112 N -1.63 4.95 0.07 3.83 0.11 0.21 -5.01 120.40 122.93 1tmt s VAL 112 Ca 0.65 0.59 -0.24 0.00 -2.93 0.00 0.00 61.98 60.05 1tmt s VAL 112 Cb -0.26 -3.67 -0.06 0.00 -1.53 0.00 0.00 36.38 30.85 1tmt s VAL 112 CO 0.31 0.14 0.71 0.00 -3.33 0.00 0.00 175.10 172.94 1tmt s ALA 113 N -1.57 3.44 0.50 1.54 0.00 -1.26 -4.81 121.76 119.60 1tmt s ALA 113 Ca 0.40 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 1tmt s ALA 113 Cb -0.13 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 1tmt s ALA 113 CO 0.20 0.18 1.01 -0.06 0.00 0.00 0.00 175.76 177.09 1tmt s PHE 114 N -0.48 3.19 0.00 0.00 0.08 -1.26 -4.92 117.98 114.58 1tmt s PHE 114 Ca 0.35 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.94 1tmt s PHE 114 Cb -0.21 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1tmt s PHE 114 CO 0.22 -0.60 0.00 -1.13 -0.10 0.00 0.00 175.22 173.61 1tmt n SER 115 N -1.28 0.00 0.10 1.36 3.41 -0.27 -4.93 113.62 112.00 1tmt n SER 115 Ca 0.08 -0.47 0.12 0.00 -0.26 0.00 0.00 58.87 58.34 1tmt n SER 115 Cb 0.53 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.94 1tmt n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tmt n ASP 116 N -1.08 0.61 -0.00 4.04 8.00 -1.26 -3.01 116.55 123.85 1tmt n ASP 116 Ca 0.00 0.60 0.06 0.00 0.71 0.00 0.00 54.79 56.16 1tmt n ASP 116 Cb 0.00 -0.75 -0.07 0.00 -0.02 0.00 0.00 41.12 40.28 1tmt n ASP 116 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1tmt n TYR 117 N -2.12 0.00 -4.10 1.24 4.01 -1.26 -4.72 117.16 110.21 1tmt n TYR 117 Ca 0.04 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.50 1tmt n TYR 117 Cb 0.31 -0.04 -0.17 0.00 -0.31 0.00 0.00 39.34 39.13 1tmt n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1tmt s ILE 118 N -2.23 1.31 -0.28 -0.72 1.01 -1.16 -4.07 121.20 115.05 1tmt s ILE 118 Ca 0.03 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 1tmt s ILE 118 Cb 0.09 -1.25 0.10 0.00 0.01 0.00 0.00 42.46 41.41 1tmt s ILE 118 CO 0.49 0.41 0.85 -2.28 0.00 0.00 0.00 174.94 174.41 1tmt s HIS 119 N 1.41 -0.73 0.63 3.97 2.46 -0.58 -1.12 115.29 121.33 1tmt s HIS 119 Ca 0.01 1.62 -0.15 0.00 0.47 0.00 0.00 55.06 57.02 1tmt s HIS 119 Cb -0.13 0.39 -0.02 0.00 -0.13 0.00 0.00 32.58 32.69 1tmt s HIS 119 CO -0.07 -0.35 1.07 -1.25 -2.47 0.00 0.00 174.74 171.67 1tmt s PRO 120 N 0.79 3.11 0.44 2.88 0.04 -1.26 -3.21 135.00 137.79 1tmt s PRO 120 Ca -0.03 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.23 1tmt s PRO 120 Cb -0.05 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 1tmt s PRO 120 CO -0.09 -0.98 0.65 0.54 0.04 0.00 0.00 177.00 177.16 1tmt s VAL 121 N -2.54 3.89 0.18 -0.36 0.11 -0.28 -4.94 120.40 116.46 1tmt s VAL 121 Ca 0.63 -0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 1tmt s VAL 121 Cb -0.17 -3.42 -0.07 0.00 -1.53 0.00 0.00 36.38 31.19 1tmt s VAL 121 CO 0.41 -0.28 0.50 0.00 -3.33 0.00 0.00 175.10 172.40 1tmt s LEU 123 N -2.55 4.41 0.73 0.00 1.43 -1.26 0.92 118.68 122.35 1tmt s LEU 123 Ca 0.43 0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 54.27 1tmt s LEU 123 Cb -0.12 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.57 1tmt s LEU 123 CO 0.21 0.24 1.11 -2.16 0.23 0.00 0.00 176.35 175.98 1tmt s PRO 124 N -0.55 2.43 0.52 1.29 0.04 -1.26 -4.88 135.00 132.59 1tmt s PRO 124 Ca 0.23 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.65 1tmt s PRO 124 Cb -0.16 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1tmt s PRO 124 CO 0.11 -1.53 0.40 0.16 0.04 0.00 0.00 177.00 176.19 1tmt s ASP 125 N -2.92 4.70 0.11 6.66 -4.77 -1.26 -4.91 116.67 114.27 1tmt s ASP 125 Ca 0.65 -1.14 -0.28 0.00 -3.30 0.00 0.00 52.55 48.48 1tmt s ASP 125 Cb -0.20 0.19 -0.10 0.00 -1.09 0.00 0.00 42.92 41.72 1tmt s ASP 125 CO 0.49 -1.00 1.64 -0.09 0.70 0.00 0.00 175.17 176.90 1tmt h ARG 126 N 0.82 -0.51 -0.20 2.11 2.43 -1.98 -3.07 114.38 113.97 1tmt h ARG 126 Ca -0.38 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1tmt h ARG 126 Cb 1.29 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.89 1tmt h ARG 126 CO 0.57 -0.34 -0.41 0.93 -1.51 0.00 0.00 179.97 179.22 1tmt h GLU 127 N -0.53 -0.42 -1.06 0.20 3.07 -2.04 0.60 114.58 114.40 1tmt h GLU 127 Ca 0.01 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1tmt h GLU 127 Cb 0.52 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1tmt h GLU 127 CO -0.11 -0.28 0.00 2.41 -1.40 0.00 0.00 179.01 179.63 1tmt n THR 128 N -5.43 0.00 0.00 1.13 -1.04 -1.16 -1.01 114.28 106.77 1tmt n THR 128 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1tmt n THR 128 Cb 0.35 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1tmt n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tmt n ALA 129 N 0.74 0.00 -0.09 2.41 0.00 0.21 -1.86 120.51 121.92 1tmt n ALA 129 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1tmt n ALA 129 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1tmt n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1tmt h SER 129 N 0.00 0.77 0.04 0.00 0.02 -1.32 -3.38 113.55 109.69 1tmt h SER 129 Ca 0.00 -0.25 -0.31 0.00 -0.84 0.00 0.00 61.79 60.39 1tmt h SER 129 Cb 0.00 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1tmt h SER 129 CO 0.00 0.93 -1.74 0.18 -1.14 0.00 0.00 176.83 175.06 1tmt n LEU 129 N -4.14 2.20 -3.84 5.07 4.32 -0.78 -4.66 117.00 115.16 1tmt n LEU 129 Ca 0.01 0.31 -0.41 0.00 -0.02 0.00 0.00 56.01 55.89 1tmt n LEU 129 Cb 0.39 -1.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.16 1tmt n LEU 129 CO 0.44 0.54 2.16 0.18 -1.22 0.00 0.00 177.39 179.49 1tmt n LEU 130 N -4.03 4.69 -4.11 2.23 4.77 -1.26 -4.83 117.00 114.46 1tmt n LEU 130 Ca -0.36 -3.31 -0.24 0.00 -0.03 0.00 0.00 56.01 52.08 1tmt n LEU 130 Cb 0.85 -1.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.41 1tmt n LEU 130 CO 0.25 -0.17 -0.48 -1.10 -1.33 0.00 0.00 177.39 174.56 1tmt s GLN 131 N 4.70 1.35 0.24 3.23 -1.52 -1.26 -4.94 119.66 121.47 1tmt s GLN 131 Ca 0.56 -0.53 -0.30 0.00 -1.95 0.00 0.00 55.36 53.14 1tmt s GLN 131 Cb 0.12 -1.26 -0.14 0.00 -0.22 0.00 0.00 33.01 31.51 1tmt s GLN 131 CO 0.07 0.27 1.12 0.00 -0.25 0.00 0.00 175.29 176.50 1tmt n ALA 132 N 2.92 -0.19 0.00 6.09 0.00 -1.26 -2.07 120.51 125.99 1tmt n ALA 132 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1tmt n ALA 132 Cb 0.54 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1tmt n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tmt n GLY 133 N 1.61 3.01 3.76 0.00 0.00 0.82 -4.89 105.19 109.50 1tmt n GLY 133 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1tmt n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tmt s TYR 134 N -1.71 3.35 0.06 1.61 1.51 -0.88 -4.52 117.35 116.76 1tmt s TYR 134 Ca 0.00 1.60 -0.02 0.00 -1.01 0.00 0.00 57.07 57.63 1tmt s TYR 134 Cb 0.00 -3.40 -0.04 0.00 -0.11 0.00 0.00 41.96 38.40 1tmt s TYR 134 CO 0.00 -1.02 0.25 0.15 -1.11 0.00 0.00 175.55 173.82 1tmt s LYS 135 N -1.70 3.50 0.45 -0.62 1.02 -1.26 -0.12 119.74 121.01 1tmt s LYS 135 Ca 0.48 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.21 1tmt s LYS 135 Cb -0.34 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1tmt s LYS 135 CO 0.44 0.60 0.07 0.20 -0.92 0.00 0.00 175.35 175.74 1tmt s GLY 136 N -2.26 2.80 -0.00 -3.33 0.00 0.37 -4.83 107.32 100.06 1tmt s GLY 136 Ca 0.34 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 44.23 1tmt s GLY 136 CO 0.24 -2.00 -0.16 -1.60 0.00 0.00 0.00 173.10 169.58 1tmt s ARG 137 N -3.78 1.24 -0.04 2.90 3.52 -0.01 -0.76 118.95 122.03 1tmt s ARG 137 Ca 0.16 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 55.20 1tmt s ARG 137 Cb 0.02 -1.21 -0.01 0.00 -1.56 0.00 0.00 34.95 32.19 1tmt s ARG 137 CO 0.10 0.33 -0.19 0.08 -0.81 0.00 0.00 175.30 174.80 1tmt s VAL 138 N -0.45 1.57 0.12 7.11 1.01 0.02 0.10 120.40 129.88 1tmt s VAL 138 Ca 0.06 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1tmt s VAL 138 Cb -0.06 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1tmt s VAL 138 CO -0.00 0.45 -0.12 0.42 0.00 0.00 0.00 175.10 175.85 1tmt s THR 139 N -0.08 1.14 0.00 3.92 -4.23 -1.24 -1.73 115.64 113.42 1tmt s THR 139 Ca -0.02 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1tmt s THR 139 Cb -0.11 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.19 1tmt s THR 139 CO 0.02 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 1tmt n GLY 140 N 0.37 2.00 1.69 3.99 0.00 -0.87 -4.53 105.19 107.84 1tmt n GLY 140 Ca -0.14 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 44.96 1tmt n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1tmt n TRP 141 N -0.82 1.75 -1.17 1.61 8.01 -1.26 -1.49 117.44 124.08 1tmt n TRP 141 Ca 0.00 -0.69 -0.30 0.00 -1.31 0.00 0.00 57.50 55.20 1tmt n TRP 141 Cb 0.00 -0.39 0.21 0.00 -2.01 0.00 0.00 31.31 29.12 1tmt n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1tmt s GLY 142 N -0.93 1.58 0.43 6.99 0.00 -1.25 -4.59 107.32 109.55 1tmt s GLY 142 Ca 0.52 -0.77 -0.24 0.00 0.00 0.00 0.00 44.72 44.23 1tmt s GLY 142 CO 0.19 0.01 1.10 0.70 0.00 0.00 0.00 173.10 175.10 1tmt n ASN 143 N -4.50 1.69 0.14 1.64 4.13 0.14 -2.70 115.26 115.81 1tmt n ASN 143 Ca 0.10 1.05 0.12 0.00 1.68 0.00 0.00 54.58 57.53 1tmt n ASN 143 Cb 0.59 -1.41 0.09 0.00 -1.54 0.00 0.00 39.78 37.51 1tmt n ASN 143 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1tmt h LEU 144 N 1.66 0.00 -7.79 3.41 3.38 -0.38 0.23 115.31 115.82 1tmt h LEU 144 Ca -0.46 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 1tmt h LEU 144 Cb 1.32 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.94 1tmt h LEU 144 CO 0.58 0.01 -0.36 -1.59 0.09 0.00 0.00 178.44 177.17 1tmt s LYS 145 N -3.28 0.86 0.34 1.13 -2.85 -1.26 -4.10 119.74 110.57 1tmt s LYS 145 Ca 0.03 -0.95 -0.28 0.00 -1.00 0.00 0.00 55.97 53.77 1tmt s LYS 145 Cb 0.08 0.35 -0.10 0.00 -2.06 0.00 0.00 37.83 36.10 1tmt s LYS 145 CO 0.73 -0.28 1.32 -2.00 0.10 0.00 0.00 175.35 175.22 1tmt s GLU 146 N -3.86 4.32 0.26 1.78 2.12 -1.26 -4.90 118.70 117.17 1tmt s GLU 146 Ca 0.05 2.23 -0.30 0.00 0.36 0.00 0.00 54.97 57.31 1tmt s GLU 146 Cb 0.05 -3.04 -0.11 0.00 0.26 0.00 0.00 34.13 31.28 1tmt s GLU 146 CO -0.11 -0.23 1.60 0.99 -0.54 0.00 0.00 175.26 176.98 1tmt s THR 147 N -1.15 2.15 -0.28 -1.70 2.01 -1.26 -4.94 115.64 110.47 1tmt s THR 147 Ca 0.50 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 62.37 1tmt s THR 147 Cb -0.40 -3.08 0.10 0.00 0.01 0.00 0.00 72.50 69.13 1tmt s THR 147 CO 0.53 0.02 0.89 0.86 -0.69 0.00 0.00 174.62 176.23 1tmt s TRP 148 N 0.29 -0.64 0.44 4.92 -0.00 -1.26 -5.05 118.94 117.65 1tmt s TRP 148 Ca 0.65 1.52 0.15 0.00 -0.00 0.00 0.00 56.10 58.43 1tmt s TRP 148 Cb -0.47 0.34 1.03 0.00 -0.00 0.00 0.00 33.47 34.37 1tmt s TRP 148 CO 0.43 -0.31 2.00 1.79 -0.00 0.00 0.00 176.95 180.86 1tmt h THR 149 N 3.90 1.09 0.00 5.86 1.35 -2.05 -2.57 112.91 120.48 1tmt h THR 149 Ca -0.29 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1tmt h THR 149 Cb 1.17 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1tmt h THR 149 CO 0.09 0.18 0.00 0.00 -0.25 0.00 0.00 175.52 175.54 1tmt n ALA 149 N -2.49 2.34 -1.83 6.62 0.00 -1.26 -4.80 120.51 119.09 1tmt n ALA 149 Ca -0.02 -0.14 -0.40 0.00 0.00 0.00 0.00 53.44 52.87 1tmt n ALA 149 Cb 0.25 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 1tmt n ALA 149 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1tmt s ASN 149 N -2.16 7.35 -0.00 0.00 0.01 -0.97 -5.02 114.94 114.14 1tmt s ASN 149 Ca 0.32 2.16 0.01 0.00 -0.71 0.00 0.00 52.86 54.64 1tmt s ASN 149 Cb 0.16 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1tmt s ASN 149 CO 0.30 -0.10 -0.00 -0.69 -1.51 0.00 0.00 177.10 175.10 1tmt s VAL 149 N -0.94 4.13 0.00 1.60 1.01 -1.26 -5.04 120.40 119.90 1tmt s VAL 149 Ca 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1tmt s VAL 149 Cb -0.30 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1tmt s VAL 149 CO 0.38 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1tmt n GLY 149 N 1.43 0.29 3.70 4.51 0.00 -1.26 -4.98 105.19 108.88 1tmt n GLY 149 Ca -0.15 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1tmt n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tmt s LYS 149 N -1.35 4.26 0.00 1.61 3.01 -1.26 -4.93 119.74 121.08 1tmt s LYS 149 Ca 0.00 2.15 0.12 0.00 -1.01 0.00 0.00 55.97 57.23 1tmt s LYS 149 Cb 0.00 -3.46 -0.00 0.00 -1.01 0.00 0.00 37.83 33.36 1tmt s LYS 149 CO 0.00 -0.60 0.72 0.41 0.51 0.00 0.00 175.35 176.39 1tmt n GLY 150 N 3.73 -0.12 3.53 -3.33 0.00 -1.26 -4.91 105.19 102.83 1tmt n GLY 150 Ca 0.14 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1tmt n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tmt s GLN 151 N -1.55 3.21 0.61 1.61 -1.52 -1.26 0.24 119.66 121.00 1tmt s GLN 151 Ca 0.10 -0.55 -0.09 0.00 -1.95 0.00 0.00 55.36 52.87 1tmt s GLN 151 Cb 0.10 -2.74 -0.02 0.00 -0.22 0.00 0.00 33.01 30.14 1tmt s GLN 151 CO 0.31 0.44 0.98 -1.25 -0.25 0.00 0.00 175.29 175.52 1tmt s PRO 152 N -0.20 3.30 0.04 2.91 0.04 -1.26 -4.97 135.00 134.86 1tmt s PRO 152 Ca 0.03 0.46 0.20 0.00 0.04 0.00 0.00 61.00 61.73 1tmt s PRO 152 Cb -0.13 -2.15 -0.17 0.00 0.04 0.00 0.00 34.50 32.09 1tmt s PRO 152 CO 0.03 -0.64 0.69 -1.13 0.04 0.00 0.00 177.00 175.99 1tmt n SER 153 N -2.70 0.50 -4.17 6.66 3.41 -1.26 -4.74 113.62 111.32 1tmt n SER 153 Ca 0.05 0.21 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 1tmt n SER 153 Cb 0.56 0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 65.29 1tmt n SER 153 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1tmt s VAL 154 N -3.17 0.53 -0.01 -3.33 -7.23 -1.26 -1.39 120.40 104.53 1tmt s VAL 154 Ca -0.05 -1.92 -0.37 0.00 -1.81 0.00 0.00 61.98 57.83 1tmt s VAL 154 Cb 0.10 -1.79 -0.16 0.00 0.56 0.00 0.00 36.38 35.09 1tmt s VAL 154 CO 0.84 -0.76 1.52 -0.11 -0.31 0.00 0.00 175.10 176.28 1tmt n LEU 155 N -0.06 2.17 -4.96 1.32 7.94 0.16 -4.84 117.00 118.73 1tmt n LEU 155 Ca -0.10 1.09 -0.22 0.00 -1.11 0.00 0.00 56.01 55.67 1tmt n LEU 155 Cb 0.62 -1.22 -0.02 0.00 0.53 0.00 0.00 43.42 43.33 1tmt n LEU 155 CO 0.31 -0.71 0.05 -1.10 -1.11 0.00 0.00 177.39 174.83 1tmt s GLN 156 N 1.60 3.45 -0.00 1.96 -1.52 -0.55 -0.63 119.66 123.97 1tmt s GLN 156 Ca 0.88 -0.59 -0.04 0.00 -1.95 0.00 0.00 55.36 53.65 1tmt s GLN 156 Cb -0.93 -2.80 -0.00 0.00 -0.22 0.00 0.00 33.01 29.06 1tmt s GLN 156 CO 0.51 0.31 0.08 0.54 -0.25 0.00 0.00 175.29 176.47 1tmt s VAL 157 N -2.12 0.07 -0.20 1.09 0.11 -0.61 -2.06 120.40 116.68 1tmt s VAL 157 Ca 0.37 -0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 58.64 1tmt s VAL 157 Cb -0.09 -0.31 0.05 0.00 -1.53 0.00 0.00 36.38 34.50 1tmt s VAL 157 CO 0.32 -0.33 0.53 0.54 -3.33 0.00 0.00 175.10 172.83 1tmt s VAL 158 N -1.08 -0.00 -0.12 2.04 0.11 -0.71 -1.05 120.40 119.59 1tmt s VAL 158 Ca -0.12 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1tmt s VAL 158 Cb -0.07 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1tmt s VAL 158 CO 0.00 0.00 0.03 0.20 -3.33 0.00 0.00 175.10 172.01 1tmt s ASN 159 N 0.51 5.45 0.01 3.54 0.02 -1.26 -0.80 114.94 122.41 1tmt s ASN 159 Ca -0.02 0.16 -0.01 0.00 -1.02 0.00 0.00 52.86 51.97 1tmt s ASN 159 Cb -0.04 -1.70 -0.01 0.00 0.02 0.00 0.00 41.25 39.52 1tmt s ASN 159 CO -0.02 0.32 -0.00 -0.76 0.02 0.00 0.00 177.10 176.66 1tmt s LEU 160 N -0.53 2.10 0.41 0.60 1.43 0.07 -4.94 118.68 117.82 1tmt s LEU 160 Ca 0.10 -0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 1tmt s LEU 160 Cb -0.12 0.15 -0.10 0.00 0.03 0.00 0.00 46.19 46.15 1tmt s LEU 160 CO 0.02 -0.23 0.90 -2.16 0.23 0.00 0.00 176.35 175.10 1tmt s PRO 161 N -1.09 4.12 0.28 1.29 0.04 -1.26 -0.48 135.00 137.90 1tmt s PRO 161 Ca -0.12 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 1tmt s PRO 161 Cb -0.07 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1tmt s PRO 161 CO -0.01 -0.02 1.04 0.42 0.04 0.00 0.00 177.00 178.48 1tmt s ILE 162 N -2.20 3.71 -0.00 0.56 1.01 0.83 -1.58 121.20 123.53 1tmt s ILE 162 Ca 0.59 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.93 1tmt s ILE 162 Cb -0.09 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1tmt s ILE 162 CO 0.17 0.38 0.04 -0.69 0.00 0.00 0.00 174.94 174.83 1tmt s VAL 163 N -1.21 4.41 0.35 2.92 1.01 -0.76 -0.13 120.40 126.99 1tmt s VAL 163 Ca 0.44 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1tmt s VAL 163 Cb -0.29 -2.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.99 1tmt s VAL 163 CO 0.37 0.37 1.50 -0.62 0.00 0.00 0.00 175.10 176.72 1tmt n GLU 164 N 1.31 2.65 -0.24 2.72 4.71 -1.26 -4.58 120.64 125.94 1tmt n GLU 164 Ca -0.14 0.93 -0.00 0.00 -0.01 0.00 0.00 57.16 57.94 1tmt n GLU 164 Cb 0.53 -2.67 0.07 0.00 -1.01 0.00 0.00 31.44 28.36 1tmt n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1tmt h ARG 165 N 3.40 -0.03 0.00 3.49 2.43 -1.97 -0.48 114.38 121.22 1tmt h ARG 165 Ca -0.49 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1tmt h ARG 165 Cb 1.24 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1tmt h ARG 165 CO 0.68 -0.02 -0.09 -1.35 -1.51 0.00 0.00 179.97 177.68 1tmt h PRO 166 N -0.03 0.00 -0.03 0.20 0.11 -1.99 -0.99 132.00 129.27 1tmt h PRO 166 Ca 0.33 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 1tmt h PRO 166 Cb 0.53 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.65 1tmt h PRO 166 CO -0.74 0.09 -0.39 0.28 -0.21 0.00 0.00 178.00 177.03 1tmt h VAL 167 N 0.00 1.46 -0.23 3.15 2.07 -1.47 -2.47 116.25 118.76 1tmt h VAL 167 Ca -0.00 -1.89 0.05 0.00 0.82 0.00 0.00 66.70 65.68 1tmt h VAL 167 Cb 0.22 2.52 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 1tmt h VAL 167 CO 0.01 0.54 -0.13 0.00 0.02 0.00 0.00 177.57 178.01 1tmt h LYS 169 N -0.11 0.54 0.00 0.00 3.64 -1.24 -1.85 116.57 117.54 1tmt h LYS 169 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1tmt h LYS 169 Cb 0.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1tmt h LYS 169 CO -0.29 0.35 0.00 -0.25 -2.27 0.00 0.00 179.45 176.99 1tmt n ASP 170 N -4.87 0.54 0.01 4.20 8.00 -0.93 -3.35 116.55 120.16 1tmt n ASP 170 Ca 0.07 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.31 1tmt n ASP 170 Cb 0.19 -0.73 0.47 0.00 -0.02 0.00 0.00 41.12 41.03 1tmt n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1tmt n SER 171 N -2.06 0.26 -4.16 -2.24 3.41 -0.70 -4.91 113.62 103.22 1tmt n SER 171 Ca 0.04 0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.82 1tmt n SER 171 Cb 0.28 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 1tmt n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1tmt s THR 172 N -3.02 0.02 -1.32 6.66 -1.32 -1.21 -4.89 115.64 110.56 1tmt s THR 172 Ca 0.12 -1.91 0.22 0.00 -1.21 0.00 0.00 61.69 58.92 1tmt s THR 172 Cb 0.18 -2.36 -0.12 0.00 -1.51 0.00 0.00 72.50 68.68 1tmt s THR 172 CO 0.59 -0.10 1.04 0.54 -2.21 0.00 0.00 174.62 174.48 1tmt n ARG 173 N -0.24 0.37 -2.50 7.08 1.74 -1.26 -4.92 116.66 116.92 1tmt n ARG 173 Ca -0.00 -0.30 -0.38 0.00 -0.77 0.00 0.00 57.85 56.40 1tmt n ARG 173 Cb 0.65 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1tmt n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1tmt s ILE 174 N -2.83 3.60 -0.09 0.55 1.09 -1.26 -4.95 121.20 117.31 1tmt s ILE 174 Ca 0.12 1.38 -0.30 0.00 -1.10 0.00 0.00 60.65 60.75 1tmt s ILE 174 Cb 0.17 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.75 1tmt s ILE 174 CO 0.76 0.15 1.31 -0.60 -0.10 0.00 0.00 174.94 176.46 1tmt s ARG 175 N -2.07 4.27 0.20 2.79 3.52 -1.26 -4.99 118.95 121.41 1tmt s ARG 175 Ca 0.53 1.78 -0.10 0.00 -0.13 0.00 0.00 55.73 57.81 1tmt s ARG 175 Cb -0.26 -3.68 -0.07 0.00 -1.56 0.00 0.00 34.95 29.38 1tmt s ARG 175 CO 0.33 -0.61 0.52 0.42 -0.81 0.00 0.00 175.30 175.15 1tmt s ILE 176 N 2.92 4.96 0.37 4.11 1.01 -1.26 -4.86 121.20 128.45 1tmt s ILE 176 Ca 0.59 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.74 1tmt s ILE 176 Cb -0.26 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1tmt s ILE 176 CO 0.21 0.01 0.11 0.42 0.00 0.00 0.00 174.94 175.69 1tmt s THR 177 N -1.72 0.75 -2.09 2.92 -4.23 -1.26 -5.02 115.64 104.99 1tmt s THR 177 Ca 0.44 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.23 1tmt s THR 177 Cb -0.12 -2.50 0.74 0.00 1.34 0.00 0.00 72.50 71.97 1tmt s THR 177 CO 0.21 0.00 2.00 0.47 -0.54 0.00 0.00 174.62 176.76 1tmt n ASP 178 N -1.06 0.33 -0.74 3.99 8.00 -1.26 -2.83 116.55 122.99 1tmt n ASP 178 Ca -0.04 -1.21 0.07 0.00 0.71 0.00 0.00 54.79 54.31 1tmt n ASP 178 Cb 0.65 -0.01 0.18 0.00 -0.02 0.00 0.00 41.12 41.93 1tmt n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1tmt n ASN 179 N -0.69 2.16 -4.25 -2.24 3.02 -1.26 -4.83 115.26 107.16 1tmt n ASN 179 Ca 0.21 -2.00 -0.16 0.00 -0.03 0.00 0.00 54.58 52.60 1tmt n ASN 179 Cb 0.15 -0.27 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 1tmt n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1tmt s MET 180 N -1.46 1.06 0.03 3.52 -1.94 -1.13 -0.69 119.30 118.68 1tmt s MET 180 Ca 0.27 -1.34 -0.06 0.00 -1.71 0.00 0.00 55.69 52.85 1tmt s MET 180 Cb 0.14 -0.81 -0.01 0.00 2.01 0.00 0.00 34.83 36.16 1tmt s MET 180 CO 0.19 0.14 0.11 -0.59 -0.01 0.00 0.00 175.02 174.85 1tmt s PHE 181 N -2.64 0.14 0.19 -0.03 -0.12 -0.46 -4.80 117.98 110.26 1tmt s PHE 181 Ca 0.13 -0.38 0.09 0.00 -0.05 0.00 0.00 56.93 56.71 1tmt s PHE 181 Cb -0.02 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 1tmt s PHE 181 CO 0.02 -0.34 -0.07 0.00 -0.05 0.00 0.00 175.22 174.78 1tmt s ALA 183 N -1.77 0.07 0.00 0.00 0.00 -0.76 -1.83 121.76 117.47 1tmt s ALA 183 Ca 0.26 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1tmt s ALA 183 Cb -0.09 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1tmt s ALA 183 CO 0.16 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1tmt n GLY 184 N 1.57 3.49 3.81 0.00 0.00 -0.61 -2.62 105.19 110.83 1tmt n GLY 184 Ca -0.24 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 1tmt n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tmt s TYR 184 N -2.00 3.66 0.57 1.61 2.02 -1.26 -4.52 117.35 117.43 1tmt s TYR 184 Ca 0.00 1.44 -0.15 0.00 -0.37 0.00 0.00 57.07 57.99 1tmt s TYR 184 Cb 0.00 -2.66 -0.05 0.00 -0.40 0.00 0.00 41.96 38.85 1tmt s TYR 184 CO 0.00 0.32 1.02 0.15 -1.57 0.00 0.00 175.55 175.47 1tmt s LYS 185 N -1.97 3.61 0.26 -0.62 3.01 -1.26 -4.87 119.74 117.90 1tmt s LYS 185 Ca 0.44 1.00 -0.01 0.00 -1.01 0.00 0.00 55.97 56.39 1tmt s LYS 185 Cb -0.17 -2.08 0.54 0.00 -1.01 0.00 0.00 37.83 35.11 1tmt s LYS 185 CO 0.21 -0.56 1.74 -1.35 0.51 0.00 0.00 175.35 175.91 1tmt h PRO 186 N 0.43 0.53 0.00 -1.68 0.11 -1.97 -0.72 132.00 128.70 1tmt h PRO 186 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1tmt h PRO 186 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1tmt h PRO 186 CO 0.60 0.35 0.00 0.38 -0.21 0.00 0.00 178.00 179.12 1tmt h ASP 186 N 0.55 0.00 1.17 -2.05 2.03 -2.00 -2.01 116.42 114.09 1tmt h ASP 186 Ca 0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 1tmt h ASP 186 Cb 0.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1tmt h ASP 186 CO -0.40 0.00 -0.15 -0.62 -1.03 0.00 0.00 179.24 177.04 1tmt n GLU 186 N -2.73 0.18 -3.31 4.15 1.02 -0.28 -4.94 120.64 114.73 1tmt n GLU 186 Ca -0.00 0.12 -0.20 0.00 -0.02 0.00 0.00 57.16 57.06 1tmt n GLU 186 Cb 0.19 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 1tmt n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tmt n GLY 186 N 1.38 -0.47 3.77 0.62 0.00 -0.76 -4.95 105.19 104.78 1tmt n GLY 186 Ca 0.06 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1tmt n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tmt s LYS 186 N -5.92 2.49 0.24 1.61 1.02 -1.26 -5.16 119.74 112.76 1tmt s LYS 186 Ca 0.35 -1.46 0.09 0.00 0.02 0.00 0.00 55.97 54.96 1tmt s LYS 186 Cb -0.20 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.79 1tmt s LYS 186 CO 0.43 0.11 -0.15 1.03 -0.92 0.00 0.00 175.35 175.85 1tmt s ARG 187 N -3.89 1.46 0.00 1.68 0.52 -1.26 -4.82 118.95 112.64 1tmt s ARG 187 Ca 0.39 -1.67 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 1tmt s ARG 187 Cb -0.04 -1.31 0.00 0.00 0.52 0.00 0.00 34.95 34.13 1tmt s ARG 187 CO 0.24 0.21 0.00 0.41 0.02 0.00 0.00 175.30 176.17 1tmt n GLY 188 N -0.48 4.38 3.61 -3.53 0.00 -1.26 -4.95 105.19 102.97 1tmt n GLY 188 Ca -0.07 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 1tmt n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tmt s ASP 189 N 0.00 -0.06 0.65 1.61 -1.08 -0.95 -4.72 116.67 112.13 1tmt s ASP 189 Ca 0.00 -0.03 -0.00 0.00 -0.52 0.00 0.00 52.55 52.00 1tmt s ASP 189 Cb 0.00 0.08 0.09 0.00 -1.46 0.00 0.00 42.92 41.63 1tmt s ASP 189 CO 0.00 -0.14 0.91 0.00 0.52 0.00 0.00 175.17 176.46 1tmt s ALA 190 N -2.23 3.76 0.18 3.66 0.00 -1.26 -0.74 121.76 125.13 1tmt s ALA 190 Ca 0.12 -1.54 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 1tmt s ALA 190 Cb 0.02 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 21.11 1tmt s ALA 190 CO -0.04 -1.17 0.38 0.00 0.00 0.00 0.00 175.76 174.93 1tmt n GLU 192 N -0.26 2.63 -0.01 0.00 4.71 -1.26 -0.60 120.64 125.85 1tmt n GLU 192 Ca -0.04 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 58.06 1tmt n GLU 192 Cb 0.28 -2.76 0.00 0.00 -1.01 0.00 0.00 31.44 27.95 1tmt n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tmt n GLY 193 N 3.39 0.21 0.08 0.62 0.00 -1.26 0.29 105.19 108.51 1tmt n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1tmt n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1tmt h ASP 194 N 0.00 0.00 -3.04 1.61 3.32 -1.21 -3.34 116.42 113.76 1tmt h ASP 194 Ca 0.00 -0.17 -0.58 0.00 0.02 0.00 0.00 57.03 56.29 1tmt h ASP 194 Cb 0.00 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.69 1tmt h ASP 194 CO 0.00 0.09 0.07 -1.20 -1.72 0.00 0.00 179.24 176.47 1tmt n SER 195 N -2.22 0.84 0.00 6.45 7.64 -1.26 -2.16 113.62 122.91 1tmt n SER 195 Ca 0.03 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1tmt n SER 195 Cb 0.46 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1tmt n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tmt n GLY 196 N 1.30 3.23 3.77 0.23 0.00 -0.56 -0.12 105.19 113.04 1tmt n GLY 196 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1tmt n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tmt s GLY 197 N -2.05 2.22 0.25 -0.02 0.00 -0.92 -3.28 107.32 103.52 1tmt s GLY 197 Ca 0.00 0.58 -0.12 0.00 0.00 0.00 0.00 44.72 45.18 1tmt s GLY 197 CO 0.00 0.93 0.61 2.56 0.00 0.00 0.00 173.10 177.21 1tmt s PRO 198 N -3.99 3.90 -0.39 2.90 0.04 -1.26 -1.20 135.00 135.00 1tmt s PRO 198 Ca 0.68 0.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.09 1tmt s PRO 198 Cb -0.21 -2.61 0.08 0.00 0.04 0.00 0.00 34.50 31.80 1tmt s PRO 198 CO 0.40 0.28 0.19 0.12 0.04 0.00 0.00 177.00 178.03 1tmt s PHE 199 N -1.83 3.37 0.33 0.56 2.19 -0.60 -3.62 117.98 118.39 1tmt s PHE 199 Ca 0.49 -1.76 0.08 0.00 0.33 0.00 0.00 56.93 56.07 1tmt s PHE 199 Cb -0.11 -2.82 -0.04 0.00 -1.31 0.00 0.00 43.02 38.74 1tmt s PHE 199 CO 0.20 -0.85 0.12 0.14 1.83 0.00 0.00 175.22 176.65 1tmt s VAL 200 N 1.33 3.04 0.05 3.12 -7.23 0.12 -1.11 120.40 119.72 1tmt s VAL 200 Ca 0.02 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1tmt s VAL 200 Cb -0.22 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.74 1tmt s VAL 200 CO 0.00 -0.20 -0.08 -0.04 -0.31 0.00 0.00 175.10 174.47 1tmt s MET 201 N -3.82 0.58 -0.19 4.82 -1.94 0.05 -0.83 119.30 117.97 1tmt s MET 201 Ca 0.37 -0.82 -0.05 0.00 -1.71 0.00 0.00 55.69 53.49 1tmt s MET 201 Cb -0.03 -0.35 -0.02 0.00 2.01 0.00 0.00 34.83 36.44 1tmt s MET 201 CO 0.22 0.06 -0.01 0.21 -0.01 0.00 0.00 175.02 175.49 1tmt s LYS 202 N -1.74 3.60 -0.12 2.03 2.20 -1.26 -0.91 119.74 123.54 1tmt s LYS 202 Ca -0.08 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 1tmt s LYS 202 Cb -0.09 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.18 1tmt s LYS 202 CO 0.00 0.04 1.01 0.45 -0.36 0.00 0.00 175.35 176.49 1tmt s SER 203 N 0.92 7.23 0.47 1.43 0.15 -0.21 -4.95 113.70 118.73 1tmt s SER 203 Ca 0.01 1.51 0.31 0.00 0.70 0.00 0.00 55.95 58.47 1tmt s SER 203 Cb -0.14 -2.55 1.24 0.00 -1.71 0.00 0.00 66.02 62.86 1tmt s SER 203 CO 0.02 -0.47 1.90 -0.65 1.20 0.00 0.00 173.24 175.24 1tmt h PRO 204 N 7.14 0.00 0.00 5.44 0.11 -1.98 0.12 132.00 142.83 1tmt h PRO 204 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 1tmt h PRO 204 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1tmt h PRO 204 CO 0.87 0.00 -0.19 0.74 -0.21 0.00 0.00 178.00 179.21 1tmt h PHE 204 N 0.00 0.00 0.00 0.65 0.04 -1.96 -3.39 116.94 112.28 1tmt h PHE 204 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1tmt h PHE 204 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1tmt h PHE 204 CO 0.00 0.19 0.00 0.27 -0.60 0.00 0.00 178.31 178.17 1tmt n ASN 204 N -3.17 0.00 0.00 2.17 2.04 -1.16 -5.03 115.26 110.12 1tmt n ASN 204 Ca 0.03 -1.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.17 1tmt n ASN 204 Cb 0.58 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.83 1tmt n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1tmt n ASN 205 N 0.00 -3.36 -4.65 0.53 5.15 0.42 -4.99 115.26 108.36 1tmt n ASN 205 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 1tmt n ASN 205 Cb 0.42 -1.71 -0.07 0.00 -0.53 0.00 0.00 39.78 37.89 1tmt n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1tmt s ARG 206 N -0.81 2.33 -0.14 1.20 0.52 -1.25 -4.89 118.95 115.91 1tmt s ARG 206 Ca 0.00 -1.32 -0.14 0.00 -0.52 0.00 0.00 55.73 53.74 1tmt s ARG 206 Cb 0.00 -2.22 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 1tmt s ARG 206 CO 0.00 0.39 0.32 -1.58 0.02 0.00 0.00 175.30 174.45 1tmt s TRP 207 N -2.14 3.49 -0.10 -0.53 0.52 -1.26 -1.05 118.94 117.86 1tmt s TRP 207 Ca 0.30 0.66 0.01 0.00 0.02 0.00 0.00 56.10 57.10 1tmt s TRP 207 Cb -0.07 -2.36 -0.02 0.00 -1.15 0.00 0.00 33.47 29.87 1tmt s TRP 207 CO 0.20 0.26 -0.15 0.71 0.02 0.00 0.00 176.95 177.99 1tmt s TYR 208 N 0.37 2.75 -0.59 -1.98 2.02 -0.09 -1.41 117.35 118.42 1tmt s TYR 208 Ca 0.18 -0.54 -0.25 0.00 -0.37 0.00 0.00 57.07 56.10 1tmt s TYR 208 Cb -0.13 -1.76 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 1tmt s TYR 208 CO 0.05 -0.11 1.02 -1.14 -1.57 0.00 0.00 175.55 173.80 1tmt s GLN 209 N 0.02 3.31 0.05 -0.62 0.74 0.26 -0.77 119.66 122.66 1tmt s GLN 209 Ca -0.05 -0.27 0.20 0.00 0.05 0.00 0.00 55.36 55.29 1tmt s GLN 209 Cb -0.14 -4.09 -0.16 0.00 1.10 0.00 0.00 33.01 29.72 1tmt s GLN 209 CO 0.04 -1.63 0.72 -1.33 -0.55 0.00 0.00 175.29 172.54 1tmt n MET 210 N 7.84 0.63 -4.03 1.67 2.81 -0.27 -4.19 117.12 121.58 1tmt n MET 210 Ca 0.02 0.06 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 1tmt n MET 210 Cb 0.48 -1.71 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 1tmt n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1tmt s GLY 211 N -4.68 0.69 -0.05 3.03 0.00 -1.07 -2.50 107.32 102.74 1tmt s GLY 211 Ca -0.04 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.68 1tmt s GLY 211 CO 0.83 -0.77 -0.11 -0.42 0.00 0.00 0.00 173.10 172.63 1tmt s ILE 212 N -4.04 1.03 -0.03 0.90 1.01 -0.91 -1.55 121.20 117.61 1tmt s ILE 212 Ca 0.25 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 1tmt s ILE 212 Cb 0.01 -0.94 -0.07 0.00 0.01 0.00 0.00 42.46 41.47 1tmt s ILE 212 CO 0.09 0.33 1.83 -0.69 0.00 0.00 0.00 174.94 176.50 1tmt s VAL 213 N 0.52 3.29 0.01 2.92 1.01 -0.34 -0.98 120.40 126.84 1tmt s VAL 213 Ca -0.11 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1tmt s VAL 213 Cb -0.14 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1tmt s VAL 213 CO 0.02 -0.05 -0.07 -0.24 0.00 0.00 0.00 175.10 174.76 1tmt n SER 214 N 7.72 0.96 -3.91 3.32 2.88 -0.89 -1.49 113.62 122.21 1tmt n SER 214 Ca 0.19 0.14 -0.09 0.00 -1.33 0.00 0.00 58.87 57.78 1tmt n SER 214 Cb 0.42 -0.37 -0.04 0.00 -0.75 0.00 0.00 64.21 63.47 1tmt n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1tmt s TRP 215 N -1.89 0.31 0.25 0.66 1.48 -1.08 -4.91 118.94 113.76 1tmt s TRP 215 Ca -0.06 -0.69 -0.14 0.00 -1.06 0.00 0.00 56.10 54.15 1tmt s TRP 215 Cb 0.01 0.27 0.05 0.00 -1.16 0.00 0.00 33.47 32.64 1tmt s TRP 215 CO 0.09 -1.06 0.69 0.41 -4.06 0.00 0.00 176.95 173.03 1tmt n GLY 216 N -0.41 1.04 2.74 3.67 0.00 -1.26 -1.14 105.19 109.83 1tmt n GLY 216 Ca -0.02 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1tmt n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tmt s GLU 217 N -2.06 0.86 1.60 1.61 2.02 -1.26 -5.03 118.70 116.44 1tmt s GLU 217 Ca 0.14 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.83 1tmt s GLU 217 Cb -0.03 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.10 1tmt s GLU 217 CO 0.08 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.74 1tmt n GLY 219 N 4.53 -1.43 3.24 -1.39 0.00 -1.26 -4.75 105.19 104.13 1tmt n GLY 219 Ca 0.01 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 1tmt n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tmt n ASP 221 N 3.98 -4.58 -4.78 0.00 2.03 -1.26 -4.62 116.55 107.32 1tmt n ASP 221 Ca -0.22 0.34 -0.36 0.00 0.52 0.00 0.00 54.79 55.07 1tmt n ASP 221 Cb 0.55 -4.06 -0.03 0.00 -0.72 0.00 0.00 41.12 36.86 1tmt n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1tmt s ARG 221 N -3.82 3.98 0.17 -0.67 0.52 -1.26 -4.95 118.95 112.92 1tmt s ARG 221 Ca 0.00 1.52 -0.31 0.00 -0.52 0.00 0.00 55.73 56.42 1tmt s ARG 221 Cb 0.00 -2.39 -0.09 0.00 0.52 0.00 0.00 34.95 32.98 1tmt s ARG 221 CO 0.00 -0.30 1.49 -0.51 0.02 0.00 0.00 175.30 176.00 1tmt s ASP 222 N -1.64 6.67 0.00 0.23 1.01 -1.26 -2.57 116.67 119.11 1tmt s ASP 222 Ca 0.61 2.55 0.00 0.00 0.71 0.00 0.00 52.55 56.42 1tmt s ASP 222 Cb -0.22 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.11 1tmt s ASP 222 CO 0.27 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.51 1tmt n GLY 223 N 3.38 0.54 3.37 0.21 0.00 -1.26 -5.05 105.19 106.38 1tmt n GLY 223 Ca 0.12 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1tmt n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tmt s LYS 224 N -0.68 1.41 0.06 1.61 3.01 -1.06 -4.81 119.74 119.27 1tmt s LYS 224 Ca 0.00 -1.61 0.02 0.00 -1.01 0.00 0.00 55.97 53.37 1tmt s LYS 224 Cb 0.00 -1.31 -0.03 0.00 -1.01 0.00 0.00 37.83 35.48 1tmt s LYS 224 CO 0.00 0.23 -0.07 0.71 0.51 0.00 0.00 175.35 176.73 1tmt s TYR 225 N -2.72 0.72 0.31 3.18 1.51 -1.26 -4.79 117.35 114.30 1tmt s TYR 225 Ca 0.23 -0.62 -0.20 0.00 -1.01 0.00 0.00 57.07 55.47 1tmt s TYR 225 Cb -0.03 -0.43 -0.09 0.00 -0.11 0.00 0.00 41.96 41.30 1tmt s TYR 225 CO 0.09 -0.11 0.81 0.20 -1.11 0.00 0.00 175.55 175.43 1tmt s GLY 226 N -1.99 2.53 -0.07 0.71 0.00 -1.08 -4.73 107.32 102.69 1tmt s GLY 226 Ca -0.04 0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.94 1tmt s GLY 226 CO -0.01 0.56 -0.09 -1.36 0.00 0.00 0.00 173.10 172.20 1tmt s PHE 227 N -1.79 2.88 0.07 1.90 0.40 -0.29 -1.82 117.98 119.33 1tmt s PHE 227 Ca 0.51 -0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.86 1tmt s PHE 227 Cb -0.14 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 1tmt s PHE 227 CO 0.19 0.28 -0.16 0.71 0.70 0.00 0.00 175.22 176.95 1tmt s TYR 228 N -0.75 1.33 0.07 0.36 1.51 0.17 -2.09 117.35 117.95 1tmt s TYR 228 Ca 0.11 -0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 55.44 1tmt s TYR 228 Cb -0.11 -0.76 -0.06 0.00 -0.11 0.00 0.00 41.96 40.93 1tmt s TYR 228 CO 0.01 0.08 1.17 0.99 -1.11 0.00 0.00 175.55 176.69 1tmt s THR 229 N -1.14 4.10 -0.86 -0.71 2.01 -0.15 -1.36 115.64 117.53 1tmt s THR 229 Ca 0.01 1.53 -0.25 0.00 0.31 0.00 0.00 61.69 63.28 1tmt s THR 229 Cb -0.09 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.46 1tmt s THR 229 CO 0.02 0.13 1.45 -2.28 -0.69 0.00 0.00 174.62 173.26 1tmt s HIS 230 N 0.94 2.30 0.15 4.92 2.46 0.13 -2.13 115.29 124.05 1tmt s HIS 230 Ca 0.57 -0.26 -0.16 0.00 0.47 0.00 0.00 55.06 55.68 1tmt s HIS 230 Cb -0.29 -4.57 0.01 0.00 -0.13 0.00 0.00 32.58 27.61 1tmt s HIS 230 CO 0.30 -2.01 1.78 0.28 -2.47 0.00 0.00 174.74 172.61 1tmt h VAL 231 N 6.52 1.13 -0.62 0.89 2.07 -1.80 -3.02 116.25 121.42 1tmt h VAL 231 Ca -0.05 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1tmt h VAL 231 Cb 1.04 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1tmt h VAL 231 CO 1.33 0.13 0.34 0.15 0.02 0.00 0.00 177.57 179.55 1tmt h PHE 232 N 0.54 0.63 0.00 1.57 3.57 -1.87 -1.54 116.94 119.85 1tmt h PHE 232 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1tmt h PHE 232 Cb 0.00 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1tmt h PHE 232 CO -0.03 0.31 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.25 1tmt h ARG 233 N 0.64 0.00 -0.46 1.11 9.65 -1.90 -1.81 114.38 121.61 1tmt h ARG 233 Ca 0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 1tmt h ARG 233 Cb 0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1tmt h ARG 233 CO -0.17 0.01 0.00 1.28 2.80 0.00 0.00 179.97 183.89 1tmt n LEU 234 N -3.68 3.23 -0.05 3.80 4.77 -0.67 -4.64 117.00 119.76 1tmt n LEU 234 Ca -0.03 -1.95 0.08 0.00 -0.03 0.00 0.00 56.01 54.08 1tmt n LEU 234 Cb 0.10 -0.30 0.45 0.00 -2.33 0.00 0.00 43.42 41.34 1tmt n LEU 234 CO 0.26 0.80 1.18 0.50 -1.33 0.00 0.00 177.39 178.80 1tmt h LYS 235 N 2.79 0.49 -0.46 3.23 3.64 -0.41 -2.09 116.57 123.77 1tmt h LYS 235 Ca 0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1tmt h LYS 235 Cb 0.81 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1tmt h LYS 235 CO 0.00 0.33 0.30 0.87 -2.27 0.00 0.00 179.45 178.67 1tmt h LYS 236 N 0.51 0.59 -0.70 1.90 6.56 -1.82 -0.73 116.57 122.87 1tmt h LYS 236 Ca 0.22 -0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.79 1tmt h LYS 236 Cb 0.23 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 31.72 1tmt h LYS 236 CO -0.06 0.39 0.45 2.35 -2.06 0.00 0.00 179.45 180.52 1tmt h TRP 237 N 0.60 0.85 0.19 -1.35 7.01 -1.74 -2.28 115.95 119.23 1tmt h TRP 237 Ca 0.17 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.21 1tmt h TRP 237 Cb -0.05 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 26.69 1tmt h TRP 237 CO -0.05 0.51 -0.38 0.82 -2.79 0.00 0.00 178.44 176.56 1tmt h ILE 238 N 0.91 0.23 -0.49 2.65 2.04 -1.09 -1.98 117.51 119.77 1tmt h ILE 238 Ca 0.27 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.14 1tmt h ILE 238 Cb -0.05 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 1tmt h ILE 238 CO -0.08 0.00 0.33 1.56 0.00 0.00 0.00 178.15 179.96 1tmt h GLN 239 N -0.65 0.61 -0.25 2.37 1.08 -0.98 -2.32 115.11 114.97 1tmt h GLN 239 Ca 0.01 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 1tmt h GLN 239 Cb 0.65 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1tmt h GLN 239 CO -0.18 0.40 -0.21 1.57 -0.95 0.00 0.00 178.83 179.46 1tmt h LYS 240 N 0.63 0.46 -0.14 1.46 2.10 -0.88 -1.23 116.57 118.97 1tmt h LYS 240 Ca 0.19 -0.16 -0.11 0.00 -2.00 0.00 0.00 60.65 58.57 1tmt h LYS 240 Cb -0.01 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1tmt h LYS 240 CO -0.04 0.65 -0.35 0.28 -2.00 0.00 0.00 179.45 177.99 1tmt h VAL 241 N 0.42 1.36 0.00 0.07 2.07 -0.86 -2.28 116.25 117.02 1tmt h VAL 241 Ca 0.07 -1.62 -0.07 0.00 0.82 0.00 0.00 66.70 65.89 1tmt h VAL 241 Cb 0.61 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1tmt h VAL 241 CO 0.04 0.49 -0.35 0.40 0.02 0.00 0.00 177.57 178.17 1tmt h ILE 242 N 0.10 1.18 -0.07 4.57 2.04 -1.32 -1.10 117.51 122.92 1tmt h ILE 242 Ca -0.00 -1.23 -0.13 0.00 1.00 0.00 0.00 64.86 64.50 1tmt h ILE 242 Cb 0.96 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1tmt h ILE 242 CO 0.08 0.34 -0.48 0.44 0.00 0.00 0.00 178.15 178.53 1tmt h ASP 243 N 0.00 0.54 0.04 1.72 3.32 -1.23 -0.58 116.42 120.23 1tmt h ASP 243 Ca -0.00 -0.67 -0.00 0.00 0.02 0.00 0.00 57.03 56.37 1tmt h ASP 243 Cb 0.65 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1tmt h ASP 243 CO 0.05 1.13 -0.02 1.56 -1.72 0.00 0.00 179.24 180.24 1tmt h GLN 244 N -0.00 -0.05 -0.54 3.56 7.50 -1.30 -3.35 115.11 120.93 1tmt h GLN 244 Ca -0.04 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.01 1tmt h GLN 244 Cb 1.14 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 28.62 1tmt h GLN 244 CO 0.10 0.35 0.11 1.19 -1.50 0.00 0.00 178.83 179.08 1tmt n PHE 245 N -4.92 1.85 0.00 2.96 3.01 -0.42 -5.11 117.46 114.83 1tmt n PHE 245 Ca -0.08 -1.04 0.00 0.00 1.01 0.00 0.00 57.45 57.33 1tmt n PHE 245 Cb 0.22 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 1tmt n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18