#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2c s VAL 17 N 0.00 3.92 -1.18 1.39 1.01 0.10 -4.20 120.40 121.44 1a2c s VAL 17 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1a2c s VAL 17 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1a2c s VAL 17 CO 0.00 0.50 0.99 -0.62 0.00 0.00 0.00 175.10 175.96 1a2c n GLU 18 N 3.46 -6.54 -3.41 2.72 -0.58 -1.26 -2.57 120.64 112.45 1a2c n GLU 18 Ca -0.17 0.82 -0.14 0.00 -0.42 0.00 0.00 57.16 57.24 1a2c n GLU 18 Cb 0.52 -5.77 -0.04 0.00 -0.57 0.00 0.00 31.44 25.58 1a2c n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a2c n GLY 19 N -1.20 3.56 3.90 0.62 0.00 -1.26 -4.48 105.19 106.32 1a2c n GLY 19 Ca -0.26 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.49 1a2c n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a2c s SER 20 N -2.47 4.56 -0.02 1.61 1.04 -0.70 -4.78 113.70 112.94 1a2c s SER 20 Ca 0.14 -1.35 -0.27 0.00 0.48 0.00 0.00 55.95 54.95 1a2c s SER 20 Cb 0.01 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1a2c s SER 20 CO 0.10 -1.16 0.85 -1.81 0.98 0.00 0.00 173.24 172.20 1a2c s ASP 21 N -4.28 7.21 0.59 7.02 1.01 -1.26 0.60 116.67 127.56 1a2c s ASP 21 Ca 0.29 1.46 -0.20 0.00 0.71 0.00 0.00 52.55 54.80 1a2c s ASP 21 Cb -0.02 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 1a2c s ASP 21 CO 0.18 -0.18 1.34 0.00 0.21 0.00 0.00 175.17 176.72 1a2c s ALA 22 N 0.83 2.65 0.74 5.23 0.00 -0.36 -4.83 121.76 126.01 1a2c s ALA 22 Ca 0.45 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 1a2c s ALA 22 Cb -0.20 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.40 1a2c s ALA 22 CO 0.24 -1.47 1.09 -1.21 0.00 0.00 0.00 175.76 174.40 1a2c s GLU 23 N -3.09 2.45 0.33 0.00 2.02 -1.26 -4.89 118.70 114.26 1a2c s GLU 23 Ca 0.76 1.18 -0.29 0.00 0.02 0.00 0.00 54.97 56.64 1a2c s GLU 23 Cb -0.40 -1.92 -0.10 0.00 0.10 0.00 0.00 34.13 31.81 1a2c s GLU 23 CO 0.45 -1.50 1.37 0.42 0.02 0.00 0.00 175.26 176.02 1a2c s ILE 24 N -2.82 2.57 -1.21 -1.63 -1.09 -1.26 -2.60 121.20 113.16 1a2c s ILE 24 Ca 0.62 0.56 -0.07 0.00 -2.23 0.00 0.00 60.65 59.53 1a2c s ILE 24 Cb -0.17 -3.36 0.05 0.00 -1.58 0.00 0.00 42.46 37.40 1a2c s ILE 24 CO 0.53 0.13 0.38 0.61 -1.23 0.00 0.00 174.94 175.36 1a2c n GLY 25 N 0.98 -0.49 0.20 6.18 0.00 -1.26 -4.93 105.19 105.87 1a2c n GLY 25 Ca 0.01 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1a2c n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1a2c h MET 26 N -0.76 0.00 -2.03 1.61 -1.53 -1.87 -3.36 114.93 106.99 1a2c h MET 26 Ca -0.39 0.00 -0.53 0.00 -3.44 0.00 0.00 59.70 55.34 1a2c h MET 26 Cb 1.27 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.92 1a2c h MET 26 CO 0.48 0.14 -1.09 0.45 0.14 0.00 0.00 176.91 177.03 1a2c n SER 27 N -3.14 0.93 0.07 1.39 2.88 -1.26 -4.98 113.62 109.52 1a2c n SER 27 Ca 0.03 -2.94 0.05 0.00 -1.33 0.00 0.00 58.87 54.69 1a2c n SER 27 Cb 0.58 -0.63 0.28 0.00 -0.75 0.00 0.00 64.21 63.70 1a2c n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a2c n PRO 28 N 0.78 0.07 0.00 -1.46 -0.05 -1.26 -1.81 135.00 131.27 1a2c n PRO 28 Ca 0.24 0.55 0.12 0.00 -0.05 0.00 0.00 63.50 64.35 1a2c n PRO 28 Cb 0.57 -1.71 0.07 0.00 -0.05 0.00 0.00 33.50 32.38 1a2c n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 175.50 172.78 1a2c n TRP 29 N -1.85 0.00 -2.28 0.54 2.14 -1.10 -2.20 117.44 112.68 1a2c n TRP 29 Ca -0.00 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1a2c n TRP 29 Cb 0.03 -0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.50 1a2c n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1a2c s GLN 30 N -2.23 4.24 -0.02 -2.67 2.00 -0.75 0.10 119.66 120.32 1a2c s GLN 30 Ca 0.24 1.85 0.07 0.00 -2.00 0.00 0.00 55.36 55.53 1a2c s GLN 30 Cb 0.19 -3.77 -0.02 0.00 0.80 0.00 0.00 33.01 30.21 1a2c s GLN 30 CO 0.43 -0.70 -0.25 0.08 -0.50 0.00 0.00 175.29 174.36 1a2c s VAL 31 N 3.33 1.95 -0.28 1.34 1.01 -1.00 -4.21 120.40 122.55 1a2c s VAL 31 Ca 0.61 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1a2c s VAL 31 Cb -0.27 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1a2c s VAL 31 CO 0.21 0.55 0.14 -0.32 0.00 0.00 0.00 175.10 175.68 1a2c s MET 32 N -0.55 3.68 -0.24 2.72 1.75 -0.67 -1.89 119.30 124.10 1a2c s MET 32 Ca 0.09 -0.49 -0.25 0.00 -1.25 0.00 0.00 55.69 53.79 1a2c s MET 32 Cb -0.10 -3.52 -0.00 0.00 2.84 0.00 0.00 34.83 34.05 1a2c s MET 32 CO -0.01 -0.25 0.84 -1.17 -0.65 0.00 0.00 175.02 173.79 1a2c s LEU 33 N 1.67 4.08 -0.07 4.11 0.20 0.25 -1.69 118.68 127.24 1a2c s LEU 33 Ca 0.06 1.05 0.03 0.00 0.69 0.00 0.00 54.13 55.96 1a2c s LEU 33 Cb -0.16 -3.21 0.01 0.00 -0.43 0.00 0.00 46.19 42.40 1a2c s LEU 33 CO 0.07 -0.53 -0.17 0.12 -0.29 0.00 0.00 176.35 175.55 1a2c s PHE 34 N 2.87 1.87 -0.01 5.38 5.36 -0.79 0.48 117.98 133.13 1a2c s PHE 34 Ca 0.35 -0.70 -0.30 0.00 -0.96 0.00 0.00 56.93 55.32 1a2c s PHE 34 Cb -0.15 -1.30 -0.03 0.00 -0.34 0.00 0.00 43.02 41.20 1a2c s PHE 34 CO 0.07 -0.31 1.04 0.50 -1.46 0.00 0.00 175.22 175.07 1a2c s ARG 35 N 0.46 4.50 0.19 10.12 3.52 0.86 -1.48 118.95 137.11 1a2c s ARG 35 Ca -0.14 1.49 -0.10 0.00 -0.13 0.00 0.00 55.73 56.85 1a2c s ARG 35 Cb -0.16 -3.46 0.11 0.00 -1.56 0.00 0.00 34.95 29.88 1a2c s ARG 35 CO 0.05 -0.17 1.73 0.87 -0.81 0.00 0.00 175.30 176.98 1a2c h LYS 36 N 6.91 1.05 -1.78 5.12 1.57 -1.81 -0.85 116.57 126.78 1a2c h LYS 36 Ca -0.39 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.04 1a2c h LYS 36 Cb 1.20 -0.16 -0.29 0.00 0.08 0.00 0.00 32.23 33.07 1a2c h LYS 36 CO 0.79 0.90 -0.47 0.45 -0.57 0.00 0.00 179.45 180.55 1a2c s SER 36 N -6.29 0.13 0.26 0.86 0.15 -1.26 -2.86 113.70 104.69 1a2c s SER 36 Ca -0.12 0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.39 1a2c s SER 36 Cb 0.14 1.21 -0.10 0.00 -1.71 0.00 0.00 66.02 65.55 1a2c s SER 36 CO 0.83 -0.31 1.48 -2.16 1.20 0.00 0.00 173.24 174.27 1a2c s PRO 37 N 2.57 4.23 -0.42 5.44 0.04 -1.26 -5.04 135.00 140.56 1a2c s PRO 37 Ca 0.13 2.38 -0.27 0.00 0.04 0.00 0.00 61.00 63.27 1a2c s PRO 37 Cb -0.15 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 1a2c s PRO 37 CO -0.19 -0.47 2.14 -0.65 0.04 0.00 0.00 177.00 177.87 1a2c s GLN 38 N -0.48 2.67 -0.02 4.56 -0.21 -1.13 -4.62 119.66 120.43 1a2c s GLN 38 Ca 0.60 1.40 -0.22 0.00 0.02 0.00 0.00 55.36 57.16 1a2c s GLN 38 Cb -0.43 -4.43 0.04 0.00 1.00 0.00 0.00 33.01 29.19 1a2c s GLN 38 CO 0.45 -2.64 0.48 -1.83 -2.12 0.00 0.00 175.29 169.63 1a2c s GLU 39 N 7.10 0.87 -0.09 2.91 -1.05 -0.33 -4.94 118.70 123.17 1a2c s GLU 39 Ca 0.89 -0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 55.37 1a2c s GLU 39 Cb -0.21 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 33.83 1a2c s GLU 39 CO 0.28 -0.27 1.67 -1.17 0.95 0.00 0.00 175.26 176.73 1a2c s LEU 40 N -1.40 4.22 -0.19 1.83 2.96 -1.26 0.29 118.68 125.13 1a2c s LEU 40 Ca -0.11 2.12 -0.19 0.00 -0.22 0.00 0.00 54.13 55.74 1a2c s LEU 40 Cb -0.02 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.98 1a2c s LEU 40 CO 0.05 -1.02 0.15 -0.07 -1.32 0.00 0.00 176.35 174.14 1a2c h LEU 41 N 10.66 0.00 0.00 -0.68 3.38 -0.31 -3.46 115.31 124.90 1a2c h LEU 41 Ca -0.39 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.21 1a2c h LEU 41 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1a2c h LEU 41 CO 0.96 1.28 0.28 0.00 0.09 0.00 0.00 178.44 181.05 1a2c n GLY 43 N -0.42 1.48 0.00 0.00 0.00 -0.05 0.88 105.19 107.09 1a2c n GLY 43 Ca -0.04 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1a2c n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2c n ALA 44 N -3.00 0.00 -2.67 4.61 0.00 -0.79 -4.04 120.51 114.62 1a2c n ALA 44 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1a2c n ALA 44 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1a2c n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a2c s SER 45 N 0.00 1.49 -0.17 0.00 1.04 0.12 -2.37 113.70 113.81 1a2c s SER 45 Ca 0.00 -0.41 -0.21 0.00 0.48 0.00 0.00 55.95 55.81 1a2c s SER 45 Cb 0.00 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1a2c s SER 45 CO 0.00 0.03 0.61 -0.22 0.98 0.00 0.00 173.24 174.64 1a2c s LEU 46 N -1.00 4.18 0.00 2.42 0.20 0.12 -0.28 118.68 124.31 1a2c s LEU 46 Ca 0.01 0.85 0.01 0.00 0.69 0.00 0.00 54.13 55.69 1a2c s LEU 46 Cb -0.07 -2.87 0.02 0.00 -0.43 0.00 0.00 46.19 42.84 1a2c s LEU 46 CO 0.01 -0.21 0.85 2.30 -0.29 0.00 0.00 176.35 179.00 1a2c n ILE 47 N 4.46 0.64 -3.99 6.68 -5.35 0.10 -1.54 119.36 120.36 1a2c n ILE 47 Ca -0.02 -0.82 0.02 0.00 -0.27 0.00 0.00 62.75 61.66 1a2c n ILE 47 Cb 0.50 0.69 0.01 0.00 -1.74 0.00 0.00 39.64 39.09 1a2c n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1a2c n SER 48 N -0.24 -0.52 -0.03 7.28 3.41 -1.17 -4.73 113.62 117.62 1a2c n SER 48 Ca 0.01 -1.04 0.14 0.00 -0.26 0.00 0.00 58.87 57.72 1a2c n SER 48 Cb 0.18 0.79 0.57 0.00 -0.26 0.00 0.00 64.21 65.49 1a2c n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a2c n ASP 49 N -0.53 0.21 -0.00 4.04 5.75 -1.26 -4.08 116.55 120.68 1a2c n ASP 49 Ca 0.03 -0.01 0.03 0.00 -0.01 0.00 0.00 54.79 54.82 1a2c n ASP 49 Cb 0.28 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 1a2c n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a2c n ARG 50 N -1.33 4.42 -5.17 0.11 5.12 -1.26 -0.54 116.66 118.02 1a2c n ARG 50 Ca 0.10 -0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.71 1a2c n ARG 50 Cb 0.31 -0.81 -0.16 0.00 -1.16 0.00 0.00 32.46 30.64 1a2c n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1a2c s TRP 51 N -1.64 2.17 0.01 -1.55 0.52 -1.26 0.11 118.94 117.29 1a2c s TRP 51 Ca 0.01 -0.41 0.06 0.00 0.02 0.00 0.00 56.10 55.78 1a2c s TRP 51 Cb 0.04 -1.38 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 1a2c s TRP 51 CO 0.22 -0.02 -0.18 0.08 0.02 0.00 0.00 176.95 177.07 1a2c s VAL 52 N -0.59 1.42 -0.05 4.03 1.01 -0.47 0.02 120.40 125.76 1a2c s VAL 52 Ca 0.09 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1a2c s VAL 52 Cb -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1a2c s VAL 52 CO -0.01 0.30 -0.24 -0.22 0.00 0.00 0.00 175.10 174.93 1a2c s LEU 53 N -0.68 2.05 0.31 3.92 2.96 0.62 -2.23 118.68 125.63 1a2c s LEU 53 Ca 0.06 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.40 1a2c s LEU 53 Cb -0.07 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.29 1a2c s LEU 53 CO 0.00 0.24 0.51 0.28 -1.32 0.00 0.00 176.35 176.06 1a2c s THR 54 N -0.20 0.00 0.37 3.68 -1.32 -0.63 0.13 115.64 117.67 1a2c s THR 54 Ca -0.02 -1.47 -0.26 0.00 -1.21 0.00 0.00 61.69 58.73 1a2c s THR 54 Cb -0.13 -2.51 -0.09 0.00 -1.51 0.00 0.00 72.50 68.26 1a2c s THR 54 CO 0.03 0.00 1.13 0.00 -2.21 0.00 0.00 174.62 173.57 1a2c s ALA 55 N -3.33 3.21 0.35 11.08 0.00 -1.26 -1.25 121.76 130.55 1a2c s ALA 55 Ca 0.26 0.90 0.25 0.00 0.00 0.00 0.00 51.96 53.37 1a2c s ALA 55 Cb -0.01 -3.35 1.26 0.00 0.00 0.00 0.00 23.12 21.03 1a2c s ALA 55 CO 0.15 -0.37 1.99 0.00 0.00 0.00 0.00 175.76 177.53 1a2c h ALA 56 N 2.90 1.23 0.00 0.00 0.00 -1.71 -2.61 119.26 119.07 1a2c h ALA 56 Ca -0.48 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1a2c h ALA 56 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a2c h ALA 56 CO 0.64 0.21 0.00 1.12 0.00 0.00 0.00 179.25 181.21 1a2c h HIS 57 N 0.00 0.00 -0.00 0.00 2.07 -1.91 -0.61 115.15 114.70 1a2c h HIS 57 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1a2c h HIS 57 Cb 0.46 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.44 1a2c h HIS 57 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1a2c n LEU 59 N -3.90 2.81 -3.78 0.00 4.77 -0.28 -4.78 117.00 111.84 1a2c n LEU 59 Ca -0.03 -0.10 -0.19 0.00 -0.03 0.00 0.00 56.01 55.66 1a2c n LEU 59 Cb 0.09 -0.65 -0.17 0.00 -2.33 0.00 0.00 43.42 40.35 1a2c n LEU 59 CO 0.28 0.82 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.57 1a2c s LEU 60 N -6.14 0.85 0.02 2.23 2.96 -0.96 0.14 118.68 117.79 1a2c s LEU 60 Ca -0.27 -0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 53.34 1a2c s LEU 60 Cb 0.07 -0.26 0.08 0.00 0.50 0.00 0.00 46.19 46.58 1a2c s LEU 60 CO 0.49 -0.15 0.69 -0.47 -1.32 0.00 0.00 176.35 175.59 1a2c s TYR 60 N 1.44 -0.57 0.00 5.38 5.04 0.57 -4.36 117.35 124.84 1a2c s TYR 60 Ca -0.04 0.73 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 1a2c s TYR 60 Cb -0.13 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.66 1a2c s TYR 60 CO -0.03 -0.67 0.00 -2.30 -1.34 0.00 0.00 175.55 171.21 1a2c n PRO 60 N 0.34 0.00 -0.46 4.97 -0.02 -1.26 -0.56 135.00 138.01 1a2c n PRO 60 Ca -0.17 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.38 1a2c n PRO 60 Cb 0.60 -0.79 0.24 0.00 -0.02 0.00 0.00 33.50 33.53 1a2c n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1a2c n TRP 60 N -0.12 0.87 -1.17 6.00 8.01 -1.26 -4.98 117.44 124.79 1a2c n TRP 60 Ca 0.00 -1.00 -0.06 0.00 -1.31 0.00 0.00 57.50 55.13 1a2c n TRP 60 Cb 0.00 -0.32 -0.02 0.00 -2.01 0.00 0.00 31.31 28.95 1a2c n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1a2c n ASP 60 N -0.71 -5.58 -4.66 -0.99 8.00 -0.95 -4.91 116.55 106.75 1a2c n ASP 60 Ca 0.23 0.14 -0.40 0.00 0.71 0.00 0.00 54.79 55.47 1a2c n ASP 60 Cb 0.89 -3.58 -0.06 0.00 -0.02 0.00 0.00 41.12 38.34 1a2c n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1a2c s LYS 60 N -2.35 4.20 -0.44 -1.24 2.20 0.27 -4.97 119.74 117.40 1a2c s LYS 60 Ca 0.00 0.52 0.07 0.00 -0.36 0.00 0.00 55.97 56.20 1a2c s LYS 60 Cb 0.00 -3.57 0.24 0.00 -1.51 0.00 0.00 37.83 32.99 1a2c s LYS 60 CO 0.00 -0.20 0.70 -1.71 -0.36 0.00 0.00 175.35 173.78 1a2c n ASN 60 N 4.95 -1.48 -4.71 1.43 5.15 -1.21 0.21 115.26 119.60 1a2c n ASN 60 Ca -0.03 -2.99 -0.42 0.00 -0.60 0.00 0.00 54.58 50.54 1a2c n ASN 60 Cb 0.50 0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 40.38 1a2c n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1a2c s PHE 60 N -0.15 3.22 0.46 1.20 0.08 0.37 -4.97 117.98 118.19 1a2c s PHE 60 Ca 0.33 0.95 0.02 0.00 0.12 0.00 0.00 56.93 58.35 1a2c s PHE 60 Cb 0.19 -3.68 0.01 0.00 -0.57 0.00 0.00 43.02 38.97 1a2c s PHE 60 CO -0.18 -2.37 0.66 -0.08 -0.10 0.00 0.00 175.22 173.15 1a2c s THR 60 N 1.18 3.62 0.14 0.64 -1.32 -1.26 -4.85 115.64 113.80 1a2c s THR 60 Ca 0.64 -0.64 -0.18 0.00 -1.21 0.00 0.00 61.69 60.30 1a2c s THR 60 Cb -0.36 -3.32 -0.01 0.00 -1.51 0.00 0.00 72.50 67.30 1a2c s THR 60 CO 0.30 -0.20 1.75 -0.33 -2.21 0.00 0.00 174.62 173.92 1a2c h GLU 61 N 0.41 0.22 -1.00 7.08 5.08 -1.95 -2.50 114.58 121.92 1a2c h GLU 61 Ca -0.45 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 57.63 1a2c h GLU 61 Cb 1.27 -0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.31 1a2c h GLU 61 CO 0.55 0.15 0.34 0.27 -1.00 0.00 0.00 179.01 179.31 1a2c n ASN 62 N -5.03 3.39 -0.03 1.42 2.04 -1.26 -3.50 115.26 112.28 1a2c n ASN 62 Ca -0.00 -2.83 0.03 0.00 -0.44 0.00 0.00 54.58 51.33 1a2c n ASN 62 Cb 0.11 -0.68 -0.15 0.00 -2.53 0.00 0.00 39.78 36.53 1a2c n ASN 62 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1a2c n ASP 63 N -0.35 0.15 -4.46 0.53 9.92 -0.94 -5.01 116.55 116.38 1a2c n ASP 63 Ca 0.31 0.06 -0.24 0.00 -0.53 0.00 0.00 54.79 54.40 1a2c n ASP 63 Cb 1.11 1.37 -0.10 0.00 -0.64 0.00 0.00 41.12 42.86 1a2c n ASP 63 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1a2c s LEU 64 N -5.03 2.59 0.15 0.64 1.43 -1.23 -2.76 118.68 114.48 1a2c s LEU 64 Ca -0.08 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.05 1a2c s LEU 64 Cb 0.11 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1a2c s LEU 64 CO 0.87 0.00 -0.14 -0.76 0.23 0.00 0.00 176.35 176.55 1a2c s LEU 65 N -3.50 2.48 -0.06 1.79 1.02 -0.55 -4.57 118.68 115.29 1a2c s LEU 65 Ca 0.29 -0.92 0.03 0.00 0.02 0.00 0.00 54.13 53.55 1a2c s LEU 65 Cb -0.04 -0.57 -0.03 0.00 0.02 0.00 0.00 46.19 45.57 1a2c s LEU 65 CO 0.14 -0.18 -0.12 0.68 0.02 0.00 0.00 176.35 176.89 1a2c s VAL 66 N -2.61 3.25 -0.20 -1.59 -7.23 -0.66 -1.89 120.40 109.47 1a2c s VAL 66 Ca 0.15 -0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 1a2c s VAL 66 Cb -0.02 -2.29 -0.00 0.00 0.56 0.00 0.00 36.38 34.62 1a2c s VAL 66 CO 0.04 0.59 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.20 1a2c s ARG 67 N -0.68 3.30 0.01 4.82 0.52 -0.68 -1.28 118.95 124.97 1a2c s ARG 67 Ca 0.10 -0.67 0.08 0.00 -0.52 0.00 0.00 55.73 54.72 1a2c s ARG 67 Cb -0.11 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 1a2c s ARG 67 CO 0.01 -0.14 -0.24 0.42 0.02 0.00 0.00 175.30 175.37 1a2c s ILE 68 N 1.29 2.28 0.00 1.52 1.01 0.05 -1.66 121.20 125.69 1a2c s ILE 68 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1a2c s ILE 68 Cb -0.14 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1a2c s ILE 68 CO -0.04 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1a2c n GLY 69 N 2.05 0.88 3.84 6.18 0.00 -1.26 -1.56 105.19 115.32 1a2c n GLY 69 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1a2c n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2c s LYS 70 N -0.95 3.66 0.02 1.61 1.02 -1.26 -4.32 119.74 119.52 1a2c s LYS 70 Ca 0.00 0.93 0.00 0.00 0.02 0.00 0.00 55.97 56.92 1a2c s LYS 70 Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1a2c s LYS 70 CO 0.00 -0.51 0.00 1.58 -0.92 0.00 0.00 175.35 175.50 1a2c n HIS 71 N -2.14 -0.14 -2.40 3.18 -0.00 -1.26 -5.00 115.22 107.46 1a2c n HIS 71 Ca 0.07 0.02 -0.41 0.00 -0.00 0.00 0.00 57.72 57.40 1a2c n HIS 71 Cb 0.54 0.42 -0.04 0.00 -0.00 0.00 0.00 29.99 30.91 1a2c n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1a2c s SER 72 N -5.01 7.15 0.05 0.26 0.15 -1.26 -1.44 113.70 113.60 1a2c s SER 72 Ca 0.00 2.29 -0.26 0.00 0.70 0.00 0.00 55.95 58.68 1a2c s SER 72 Cb 0.00 -2.62 -0.17 0.00 -1.71 0.00 0.00 66.02 61.52 1a2c s SER 72 CO 0.00 -0.27 1.54 -0.09 1.20 0.00 0.00 173.24 175.61 1a2c h ARG 73 N 4.40 -0.25 0.00 5.44 2.43 0.33 -3.36 114.38 123.37 1a2c h ARG 73 Ca -0.46 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1a2c h ARG 73 Cb 1.21 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1a2c h ARG 73 CO 0.70 -0.05 -1.43 0.25 -1.51 0.00 0.00 179.97 177.93 1a2c n THR 74 N -5.13 0.00 -2.33 0.20 -2.24 -1.26 -5.02 114.28 98.50 1a2c n THR 74 Ca -0.09 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 1a2c n THR 74 Cb 0.18 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 1a2c n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a2c s ARG 75 N -2.71 3.53 -0.44 -0.78 1.81 -1.26 -4.97 118.95 114.13 1a2c s ARG 75 Ca -0.03 1.41 -0.22 0.00 -1.72 0.00 0.00 55.73 55.17 1a2c s ARG 75 Cb 0.07 -2.05 0.02 0.00 -0.45 0.00 0.00 34.95 32.55 1a2c s ARG 75 CO 0.46 -0.67 0.70 -0.47 -0.68 0.00 0.00 175.30 174.64 1a2c s TYR 76 N -2.02 3.04 -1.22 -0.53 5.04 -1.26 -4.84 117.35 115.56 1a2c s TYR 76 Ca 0.68 0.06 -0.16 0.00 -2.44 0.00 0.00 57.07 55.21 1a2c s TYR 76 Cb -0.19 -3.47 0.12 0.00 0.35 0.00 0.00 41.96 38.78 1a2c s TYR 76 CO 0.26 -0.91 1.55 -1.21 -1.34 0.00 0.00 175.55 173.90 1a2c s GLU 77 N 3.01 4.00 0.20 4.97 2.02 -1.26 -4.92 118.70 126.72 1a2c s GLU 77 Ca 0.26 -2.23 -0.00 0.00 0.02 0.00 0.00 54.97 53.02 1a2c s GLU 77 Cb -0.13 -5.27 0.46 0.00 0.10 0.00 0.00 34.13 29.28 1a2c s GLU 77 CO 0.20 -1.99 1.01 -2.13 0.02 0.00 0.00 175.26 172.37 1a2c n ARG 77 N 6.99 -0.05 -0.45 1.61 0.63 -1.26 -1.08 116.66 123.05 1a2c n ARG 77 Ca 0.41 0.98 0.06 0.00 -0.92 0.00 0.00 57.85 58.38 1a2c n ARG 77 Cb 0.45 -1.53 0.11 0.00 0.45 0.00 0.00 32.46 31.93 1a2c n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1a2c n ASN 78 N -4.89 1.48 -0.05 6.15 5.03 -1.26 -4.82 115.26 116.89 1a2c n ASN 78 Ca 0.14 -2.86 -0.12 0.00 0.87 0.00 0.00 54.58 52.62 1a2c n ASN 78 Cb 0.46 -0.38 -0.04 0.00 -1.02 0.00 0.00 39.78 38.81 1a2c n ASN 78 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a2c n ILE 79 N -0.79 0.96 -3.13 2.41 0.13 -0.90 -5.05 119.36 112.99 1a2c n ILE 79 Ca 0.11 -0.05 -0.30 0.00 -1.10 0.00 0.00 62.75 61.42 1a2c n ILE 79 Cb 0.72 -1.78 -0.04 0.00 -0.84 0.00 0.00 39.64 37.71 1a2c n ILE 79 CO 0.00 0.00 0.00 -1.83 2.80 0.00 0.00 176.55 177.52 1a2c s GLU 80 N -2.32 3.73 -0.05 9.51 -1.05 -0.24 -4.82 118.70 123.47 1a2c s GLU 80 Ca -0.18 0.27 0.04 0.00 -0.15 0.00 0.00 54.97 54.95 1a2c s GLU 80 Cb 0.06 -2.52 0.00 0.00 -0.44 0.00 0.00 34.13 31.22 1a2c s GLU 80 CO 0.24 0.11 -0.15 0.15 0.95 0.00 0.00 175.26 176.56 1a2c s LYS 81 N -3.58 1.68 -0.14 -4.83 3.01 -0.60 -4.87 119.74 110.41 1a2c s LYS 81 Ca 0.48 -0.54 -0.06 0.00 -1.01 0.00 0.00 55.97 54.84 1a2c s LYS 81 Cb -0.11 -1.45 -0.04 0.00 -1.01 0.00 0.00 37.83 35.23 1a2c s LYS 81 CO 0.29 0.19 0.06 0.42 0.51 0.00 0.00 175.35 176.82 1a2c s ILE 82 N 0.16 4.79 0.08 2.17 1.01 -1.26 -0.77 121.20 127.39 1a2c s ILE 82 Ca -0.06 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1a2c s ILE 82 Cb -0.12 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1a2c s ILE 82 CO 0.02 0.54 -0.08 -0.44 0.00 0.00 0.00 174.94 174.98 1a2c s SER 83 N -0.28 1.15 0.23 3.58 0.01 -0.40 -4.97 113.70 113.02 1a2c s SER 83 Ca 0.08 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1a2c s SER 83 Cb -0.12 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1a2c s SER 83 CO 0.02 -0.34 0.41 -0.04 0.41 0.00 0.00 173.24 173.70 1a2c s MET 84 N -2.94 3.50 0.06 12.44 1.00 -1.26 -1.65 119.30 130.45 1a2c s MET 84 Ca 0.04 -0.41 0.03 0.00 0.00 0.00 0.00 55.69 55.35 1a2c s MET 84 Cb -0.01 -2.82 -0.04 0.00 0.00 0.00 0.00 34.83 31.96 1a2c s MET 84 CO -0.02 0.36 0.07 -0.51 0.00 0.00 0.00 175.02 174.93 1a2c s LEU 85 N -3.58 3.78 -0.25 -0.03 1.43 -1.26 0.14 118.68 118.91 1a2c s LEU 85 Ca 0.38 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1a2c s LEU 85 Cb -0.10 -2.41 -0.18 0.00 0.03 0.00 0.00 46.19 43.52 1a2c s LEU 85 CO 0.30 0.19 -0.17 1.21 0.23 0.00 0.00 176.35 178.11 1a2c n GLU 86 N 0.62 0.66 -3.63 1.70 2.13 -0.31 -4.63 120.64 117.19 1a2c n GLU 86 Ca -0.10 0.16 -0.12 0.00 0.66 0.00 0.00 57.16 57.76 1a2c n GLU 86 Cb 0.52 -1.54 -0.05 0.00 0.27 0.00 0.00 31.44 30.64 1a2c n GLU 86 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1a2c s LYS 87 N -2.52 1.00 -0.06 5.31 -0.14 -1.09 -5.01 119.74 117.22 1a2c s LYS 87 Ca -0.34 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 53.87 1a2c s LYS 87 Cb 0.09 0.45 0.01 0.00 -1.68 0.00 0.00 37.83 36.70 1a2c s LYS 87 CO 0.62 -0.36 -0.12 0.42 -0.76 0.00 0.00 175.35 175.15 1a2c s ILE 88 N -2.86 1.08 -0.11 2.17 1.01 -1.26 -2.16 121.20 119.07 1a2c s ILE 88 Ca -0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1a2c s ILE 88 Cb -0.00 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.51 1a2c s ILE 88 CO -0.05 0.34 -0.01 -0.31 0.00 0.00 0.00 174.94 174.91 1a2c s TYR 89 N 0.64 0.99 0.09 3.97 1.51 0.42 -5.00 117.35 119.97 1a2c s TYR 89 Ca -0.14 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1a2c s TYR 89 Cb -0.15 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1a2c s TYR 89 CO 0.03 -0.44 0.21 0.42 -1.11 0.00 0.00 175.55 174.66 1a2c s ILE 90 N 1.87 5.27 0.16 2.71 -1.09 -1.26 -1.76 121.20 127.10 1a2c s ILE 90 Ca 0.04 -0.51 -0.31 0.00 -2.23 0.00 0.00 60.65 57.63 1a2c s ILE 90 Cb -0.13 -3.61 -0.11 0.00 -1.58 0.00 0.00 42.46 37.03 1a2c s ILE 90 CO -0.07 0.08 1.77 -2.28 -1.23 0.00 0.00 174.94 173.21 1a2c s HIS 91 N -1.56 2.53 0.48 3.97 2.46 -1.16 -4.84 115.29 117.18 1a2c s HIS 91 Ca 0.34 0.18 0.36 0.00 0.47 0.00 0.00 55.06 56.41 1a2c s HIS 91 Cb -0.12 -4.14 1.98 0.00 -0.13 0.00 0.00 32.58 30.16 1a2c s HIS 91 CO 0.27 -4.53 2.11 -1.35 -2.47 0.00 0.00 174.74 168.78 1a2c h PRO 92 N 7.73 0.00 -0.14 2.88 0.11 -1.94 -2.20 132.00 138.43 1a2c h PRO 92 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1a2c h PRO 92 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1a2c h PRO 92 CO 0.95 0.00 -0.03 0.54 -0.21 0.00 0.00 178.00 179.25 1a2c n ARG 93 N -2.85 2.08 -1.67 1.05 5.12 -1.26 -5.02 116.66 114.11 1a2c n ARG 93 Ca -0.02 -2.77 -0.45 0.00 -1.93 0.00 0.00 57.85 52.67 1a2c n ARG 93 Cb 0.13 -1.69 -0.04 0.00 -1.16 0.00 0.00 32.46 29.71 1a2c n ARG 93 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1a2c n TYR 94 N -0.98 2.45 -2.84 -1.55 9.36 -0.83 -4.72 117.16 118.05 1a2c n TYR 94 Ca 0.20 -0.15 -0.43 0.00 3.32 0.00 0.00 57.90 60.83 1a2c n TYR 94 Cb 0.79 -2.72 -0.01 0.00 -0.63 0.00 0.00 39.34 36.76 1a2c n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1a2c s ASN 95 N 3.73 6.83 0.41 2.98 3.84 0.24 -4.78 114.94 128.20 1a2c s ASN 95 Ca 0.88 -2.44 0.26 0.00 0.21 0.00 0.00 52.86 51.78 1a2c s ASN 95 Cb -0.56 -2.45 0.76 0.00 -0.55 0.00 0.00 41.25 38.46 1a2c s ASN 95 CO 0.44 -1.00 1.75 4.11 -2.79 0.00 0.00 177.10 179.62 1a2c h TRP 96 N 8.05 0.00 -0.30 0.43 5.08 -1.92 0.34 115.95 127.63 1a2c h TRP 96 Ca 0.27 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 60.08 1a2c h TRP 96 Cb 0.94 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.10 1a2c h TRP 96 CO 1.19 0.00 -0.46 0.00 -1.28 0.00 0.00 178.44 177.89 1a2c h ARG 97 N 0.00 0.83 0.00 0.12 3.08 -2.00 -3.44 114.38 112.98 1a2c h ARG 97 Ca 0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1a2c h ARG 97 Cb 0.77 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1a2c h ARG 97 CO 0.00 1.13 0.00 -1.91 -1.07 0.00 0.00 179.97 178.12 1a2c n GLU 97 N -4.09 0.00 -0.09 0.04 2.13 -1.25 -5.00 120.64 112.37 1a2c n GLU 97 Ca -0.04 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.88 1a2c n GLU 97 Cb 0.58 -0.08 0.14 0.00 0.27 0.00 0.00 31.44 32.35 1a2c n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1a2c n ASN 98 N -2.24 2.33 -1.95 4.31 6.94 -1.25 -4.95 115.26 118.45 1a2c n ASN 98 Ca 0.00 -3.12 -0.19 0.00 -0.02 0.00 0.00 54.58 51.25 1a2c n ASN 98 Cb 0.00 -0.43 -0.03 0.00 -2.36 0.00 0.00 39.78 36.96 1a2c n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1a2c n LEU 99 N -1.42 -1.72 -4.71 -4.53 4.77 0.12 -4.96 117.00 104.55 1a2c n LEU 99 Ca 0.16 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.84 1a2c n LEU 99 Cb 0.64 -2.69 -0.03 0.00 -2.33 0.00 0.00 43.42 39.02 1a2c n LEU 99 CO 0.01 -0.43 1.30 -0.67 -1.33 0.00 0.00 177.39 176.27 1a2c n ASP 100 N -1.44 3.75 -2.73 -1.43 2.03 -1.24 -3.31 116.55 112.18 1a2c n ASP 100 Ca -0.21 1.08 -0.17 0.00 0.52 0.00 0.00 54.79 56.01 1a2c n ASP 100 Cb 0.66 -1.54 0.06 0.00 -0.72 0.00 0.00 41.12 39.57 1a2c n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1a2c n ARG 101 N 3.46 -5.73 -2.43 -0.67 1.74 -1.26 0.80 116.66 112.57 1a2c n ARG 101 Ca 0.15 0.60 -0.38 0.00 -0.77 0.00 0.00 57.85 57.44 1a2c n ARG 101 Cb 0.34 -4.94 -0.02 0.00 -1.02 0.00 0.00 32.46 26.82 1a2c n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a2c s ASP 102 N -3.26 6.25 -0.25 0.55 2.15 -1.21 -4.21 116.67 116.70 1a2c s ASP 102 Ca 0.41 -1.90 -0.21 0.00 0.43 0.00 0.00 52.55 51.28 1a2c s ASP 102 Cb -0.18 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 39.93 1a2c s ASP 102 CO 0.53 -1.77 0.65 -0.51 -0.17 0.00 0.00 175.17 173.90 1a2c s ILE 103 N 6.27 -0.00 -0.03 4.11 2.07 -1.26 -4.11 121.20 128.24 1a2c s ILE 103 Ca 0.56 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.52 1a2c s ILE 103 Cb 0.01 -0.92 0.07 0.00 0.13 0.00 0.00 42.46 41.75 1a2c s ILE 103 CO 0.04 0.00 0.64 0.00 -1.91 0.00 0.00 174.94 173.72 1a2c s ALA 104 N 0.63 -1.68 -0.07 1.50 0.00 -0.38 -2.96 121.76 118.80 1a2c s ALA 104 Ca -0.02 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.18 1a2c s ALA 104 Cb -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1a2c s ALA 104 CO -0.04 -0.39 -0.25 -0.51 0.00 0.00 0.00 175.76 174.58 1a2c s LEU 105 N -1.30 2.08 -0.22 0.00 1.43 -0.72 -1.61 118.68 118.33 1a2c s LEU 105 Ca -0.10 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1a2c s LEU 105 Cb -0.00 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.86 1a2c s LEU 105 CO 0.08 0.22 -0.12 -0.04 0.23 0.00 0.00 176.35 176.72 1a2c s MET 106 N -0.01 2.86 -0.24 1.70 -1.94 -0.95 -0.43 119.30 120.30 1a2c s MET 106 Ca -0.08 -0.94 -0.10 0.00 -1.71 0.00 0.00 55.69 52.85 1a2c s MET 106 Cb -0.15 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 1a2c s MET 106 CO 0.05 -0.33 0.15 -1.59 -0.01 0.00 0.00 175.02 173.30 1a2c s LYS 107 N 1.29 4.05 0.43 2.03 0.00 -0.92 -1.37 119.74 125.25 1a2c s LYS 107 Ca 0.01 -0.28 -0.24 0.00 0.00 0.00 0.00 55.97 55.46 1a2c s LYS 107 Cb -0.15 -3.52 -0.08 0.00 0.00 0.00 0.00 37.83 34.08 1a2c s LYS 107 CO -0.08 0.06 1.14 -0.51 0.00 0.00 0.00 175.35 175.96 1a2c s LEU 108 N 1.05 4.10 0.63 2.77 1.43 0.30 -1.16 118.68 127.80 1a2c s LEU 108 Ca 0.07 2.26 0.40 0.00 -1.03 0.00 0.00 54.13 55.83 1a2c s LEU 108 Cb -0.14 -4.16 2.14 0.00 0.03 0.00 0.00 46.19 44.06 1a2c s LEU 108 CO 0.04 -0.74 2.28 0.50 0.23 0.00 0.00 176.35 178.66 1a2c h LYS 109 N 2.34 0.00 -2.30 1.70 3.64 0.99 -3.40 116.57 119.53 1a2c h LYS 109 Ca -0.49 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 1a2c h LYS 109 Cb 1.24 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.86 1a2c h LYS 109 CO 0.61 0.01 0.05 0.21 -2.27 0.00 0.00 179.45 178.06 1a2c s LYS 110 N -4.11 0.93 0.71 1.90 2.47 -1.26 -4.95 119.74 115.43 1a2c s LYS 110 Ca -0.04 0.16 -0.15 0.00 -1.56 0.00 0.00 55.97 54.39 1a2c s LYS 110 Cb 0.12 0.43 0.03 0.00 -1.46 0.00 0.00 37.83 36.96 1a2c s LYS 110 CO 0.46 -0.28 1.16 -1.25 0.16 0.00 0.00 175.35 175.60 1a2c s PRO 111 N -1.15 2.37 0.24 4.03 0.05 -1.26 -4.83 135.00 134.44 1a2c s PRO 111 Ca -0.11 1.59 0.06 0.00 0.05 0.00 0.00 61.00 62.59 1a2c s PRO 111 Cb -0.02 -1.88 -0.03 0.00 0.05 0.00 0.00 34.50 32.62 1a2c s PRO 111 CO 0.08 -1.62 0.26 0.08 0.05 0.00 0.00 177.00 175.85 1a2c s VAL 112 N -2.17 4.79 -0.08 -0.36 1.01 0.30 -4.97 120.40 118.92 1a2c s VAL 112 Ca 0.71 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1a2c s VAL 112 Cb -0.25 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1a2c s VAL 112 CO 0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 175.10 175.19 1a2c s ALA 113 N -2.06 3.20 0.71 5.51 0.00 -1.26 -4.73 121.76 123.13 1a2c s ALA 113 Ca 0.33 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 1a2c s ALA 113 Cb -0.08 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.67 1a2c s ALA 113 CO 0.27 0.58 1.06 -0.06 0.00 0.00 0.00 175.76 177.60 1a2c s PHE 114 N -0.84 3.10 0.00 0.00 0.08 -1.26 -4.93 117.98 114.13 1a2c s PHE 114 Ca 0.13 0.72 0.00 0.00 0.12 0.00 0.00 56.93 57.90 1a2c s PHE 114 Cb -0.11 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 1a2c s PHE 114 CO 0.02 -1.32 0.00 -1.13 -0.10 0.00 0.00 175.22 172.69 1a2c n SER 115 N -2.98 0.00 0.03 1.36 3.41 0.12 -4.93 113.62 110.63 1a2c n SER 115 Ca 0.07 -0.81 0.13 0.00 -0.26 0.00 0.00 58.87 57.99 1a2c n SER 115 Cb 0.59 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.05 1a2c n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1a2c n ASP 116 N -0.51 0.23 -0.01 4.04 8.00 -1.26 -3.11 116.55 123.94 1a2c n ASP 116 Ca 0.00 0.53 0.06 0.00 0.71 0.00 0.00 54.79 56.09 1a2c n ASP 116 Cb 0.00 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.41 1a2c n ASP 116 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a2c n TYR 117 N -1.72 0.00 -3.97 1.24 4.01 -1.26 -4.77 117.16 110.69 1a2c n TYR 117 Ca 0.06 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.49 1a2c n TYR 117 Cb 0.33 -0.32 -0.15 0.00 -0.31 0.00 0.00 39.34 38.89 1a2c n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1a2c s ILE 118 N -2.92 1.78 -0.12 -0.72 1.01 -1.18 -4.23 121.20 114.82 1a2c s ILE 118 Ca -0.05 -1.54 -0.09 0.00 0.00 0.00 0.00 60.65 58.97 1a2c s ILE 118 Cb 0.09 -2.07 0.04 0.00 0.01 0.00 0.00 42.46 40.52 1a2c s ILE 118 CO 0.56 -0.22 0.30 -2.28 0.00 0.00 0.00 174.94 173.30 1a2c s HIS 119 N 1.25 -0.36 0.62 3.97 2.46 -0.94 0.15 115.29 122.44 1a2c s HIS 119 Ca -0.02 0.86 -0.14 0.00 0.47 0.00 0.00 55.06 56.22 1a2c s HIS 119 Cb -0.19 0.12 -0.02 0.00 -0.13 0.00 0.00 32.58 32.35 1a2c s HIS 119 CO -0.08 -0.20 1.06 -1.25 -2.47 0.00 0.00 174.74 171.80 1a2c s PRO 120 N 0.62 3.21 0.29 2.88 0.05 -1.26 -2.73 135.00 138.07 1a2c s PRO 120 Ca -0.04 1.13 0.01 0.00 0.05 0.00 0.00 61.00 62.15 1a2c s PRO 120 Cb -0.05 -2.02 -0.03 0.00 0.05 0.00 0.00 34.50 32.44 1a2c s PRO 120 CO -0.04 -0.89 0.47 0.54 0.05 0.00 0.00 177.00 177.14 1a2c s VAL 121 N -2.63 5.16 0.18 -0.36 0.11 -0.59 -4.89 120.40 117.38 1a2c s VAL 121 Ca 0.62 -0.55 -0.12 0.00 -2.93 0.00 0.00 61.98 59.00 1a2c s VAL 121 Cb -0.15 -3.83 -0.07 0.00 -1.53 0.00 0.00 36.38 30.80 1a2c s VAL 121 CO 0.42 -0.42 0.54 0.00 -3.33 0.00 0.00 175.10 172.31 1a2c s LEU 123 N -2.39 4.46 0.59 0.00 1.43 -1.26 -1.75 118.68 119.76 1a2c s LEU 123 Ca 0.42 0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 1a2c s LEU 123 Cb -0.13 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1a2c s LEU 123 CO 0.20 0.31 1.08 -2.16 0.23 0.00 0.00 176.35 176.01 1a2c s PRO 124 N -1.18 3.25 0.06 1.29 0.05 -1.26 -4.95 135.00 132.25 1a2c s PRO 124 Ca 0.25 1.36 0.02 0.00 0.05 0.00 0.00 61.00 62.67 1a2c s PRO 124 Cb -0.16 -2.01 -0.04 0.00 0.05 0.00 0.00 34.50 32.33 1a2c s PRO 124 CO 0.14 -0.89 0.11 0.16 0.05 0.00 0.00 177.00 176.58 1a2c s ASP 125 N -2.42 5.78 0.36 6.66 1.47 -1.26 -4.95 116.67 122.32 1a2c s ASP 125 Ca 0.67 0.09 0.29 0.00 1.18 0.00 0.00 52.55 54.78 1a2c s ASP 125 Cb -0.19 -1.64 1.18 0.00 -0.34 0.00 0.00 42.92 41.93 1a2c s ASP 125 CO 0.34 0.19 1.17 -1.14 0.68 0.00 0.00 175.17 176.40 1a2c n ARG 126 N 0.53 -0.02 0.07 2.11 0.63 -1.26 0.44 116.66 119.16 1a2c n ARG 126 Ca -0.08 0.89 -0.17 0.00 -0.92 0.00 0.00 57.85 57.57 1a2c n ARG 126 Cb 0.52 -1.85 -0.14 0.00 0.45 0.00 0.00 32.46 31.43 1a2c n ARG 126 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1a2c h GLU 127 N 0.00 0.27 -0.30 -0.14 9.09 -2.04 -1.58 114.58 119.88 1a2c h GLU 127 Ca 0.67 -0.46 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1a2c h GLU 127 Cb 2.37 0.17 0.00 0.00 -1.65 0.00 0.00 28.75 29.64 1a2c h GLU 127 CO -0.23 1.14 0.00 2.41 0.05 0.00 0.00 179.01 182.38 1a2c n THR 128 N -3.47 0.00 0.00 -1.06 -1.04 0.17 -1.04 114.28 107.84 1a2c n THR 128 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1a2c n THR 128 Cb 1.05 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 69.38 1a2c n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a2c n ALA 129 N 0.28 0.00 1.25 2.41 0.00 -0.60 -1.72 120.51 122.14 1a2c n ALA 129 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1a2c n ALA 129 Cb 0.07 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.97 1a2c n ALA 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a2c n SER 129 N 0.00 0.72 -0.08 0.00 3.41 -0.21 -4.18 113.62 113.28 1a2c n SER 129 Ca 0.00 -0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 57.86 1a2c n SER 129 Cb 0.00 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 1a2c n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1a2c n LEU 129 N -0.91 2.94 -3.96 1.04 4.77 -0.70 -4.69 117.00 115.49 1a2c n LEU 129 Ca 0.12 -0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.62 1a2c n LEU 129 Cb 0.32 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1a2c n LEU 129 CO 0.26 0.77 2.02 0.18 -1.33 0.00 0.00 177.39 179.29 1a2c n LEU 130 N -3.00 4.25 -3.97 2.23 4.77 -1.26 -4.79 117.00 115.24 1a2c n LEU 130 Ca -0.29 -3.21 -0.17 0.00 -0.03 0.00 0.00 56.01 52.31 1a2c n LEU 130 Cb 0.81 -1.39 -0.15 0.00 -2.33 0.00 0.00 43.42 40.36 1a2c n LEU 130 CO 0.16 -0.51 -0.41 -1.10 -1.33 0.00 0.00 177.39 174.20 1a2c s GLN 131 N 5.08 0.52 0.35 3.23 -0.21 -1.26 -4.95 119.66 122.41 1a2c s GLN 131 Ca 0.59 -0.21 -0.29 0.00 0.02 0.00 0.00 55.36 55.47 1a2c s GLN 131 Cb 0.10 -0.51 -0.11 0.00 1.00 0.00 0.00 33.01 33.49 1a2c s GLN 131 CO 0.09 0.12 1.49 0.00 -2.12 0.00 0.00 175.29 174.87 1a2c s ALA 132 N -0.07 3.61 0.00 6.09 0.00 -1.26 -0.87 121.76 129.26 1a2c s ALA 132 Ca 0.01 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1a2c s ALA 132 Cb -0.03 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1a2c s ALA 132 CO -0.00 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1a2c n GLY 133 N 0.96 2.93 3.77 0.00 0.00 0.17 -4.93 105.19 108.08 1a2c n GLY 133 Ca 0.03 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1a2c n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a2c s TYR 134 N -1.50 2.78 -0.08 1.61 1.51 -0.05 -4.54 117.35 117.09 1a2c s TYR 134 Ca 0.00 1.32 -0.05 0.00 -1.01 0.00 0.00 57.07 57.32 1a2c s TYR 134 Cb 0.00 -3.82 -0.04 0.00 -0.11 0.00 0.00 41.96 37.99 1a2c s TYR 134 CO 0.00 -2.40 0.15 0.15 -1.11 0.00 0.00 175.55 172.34 1a2c s LYS 135 N -2.06 3.42 0.45 -0.62 1.02 -1.25 -0.70 119.74 119.99 1a2c s LYS 135 Ca 0.53 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 56.32 1a2c s LYS 135 Cb -0.42 -3.14 -0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1a2c s LYS 135 CO 0.56 0.74 0.02 0.41 -0.92 0.00 0.00 175.35 176.16 1a2c n GLY 136 N 1.62 3.58 2.89 -3.33 0.00 -0.66 -4.85 105.19 104.44 1a2c n GLY 136 Ca -0.17 -2.32 -0.15 0.00 0.00 0.00 0.00 46.02 43.38 1a2c n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a2c s ARG 137 N -3.65 0.25 0.18 1.61 3.52 -0.43 -0.77 118.95 119.66 1a2c s ARG 137 Ca 0.03 -0.06 0.10 0.00 -0.13 0.00 0.00 55.73 55.67 1a2c s ARG 137 Cb 0.00 -0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.06 1a2c s ARG 137 CO 0.02 0.01 -0.21 0.08 -0.81 0.00 0.00 175.30 174.39 1a2c s VAL 138 N 0.19 2.13 0.04 7.11 1.01 0.36 -2.06 120.40 129.18 1a2c s VAL 138 Ca -0.02 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 59.85 1a2c s VAL 138 Cb -0.04 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1a2c s VAL 138 CO -0.00 -0.21 0.26 0.42 0.00 0.00 0.00 175.10 175.57 1a2c s THR 139 N -1.85 0.09 0.00 3.92 -4.23 -1.24 -1.27 115.64 111.06 1a2c s THR 139 Ca 0.19 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1a2c s THR 139 Cb -0.07 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1a2c s THR 139 CO 0.09 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1a2c n GLY 140 N 0.68 1.91 1.36 3.99 0.00 -1.06 -4.48 105.19 107.60 1a2c n GLY 140 Ca -0.19 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.05 1a2c n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a2c n TRP 141 N -0.64 1.14 -0.43 1.61 8.01 -1.26 -1.69 117.44 124.18 1a2c n TRP 141 Ca 0.00 -0.56 -0.01 0.00 -1.31 0.00 0.00 57.50 55.62 1a2c n TRP 141 Cb 0.00 -0.12 0.01 0.00 -2.01 0.00 0.00 31.31 29.18 1a2c n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a2c n GLY 142 N 1.22 -2.64 3.63 6.99 0.00 -1.26 -4.59 105.19 108.52 1a2c n GLY 142 Ca 0.24 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1a2c n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a2c n ASN 143 N -3.04 1.49 0.08 1.61 4.13 -0.78 -3.69 115.26 115.06 1a2c n ASN 143 Ca 0.00 1.05 0.12 0.00 1.68 0.00 0.00 54.58 57.43 1a2c n ASN 143 Cb 0.01 -1.38 0.06 0.00 -1.54 0.00 0.00 39.78 36.93 1a2c n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1a2c n LEU 144 N 0.48 0.76 -3.53 3.41 4.77 -0.38 -1.98 117.00 120.53 1a2c n LEU 144 Ca 0.09 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1a2c n LEU 144 Cb 0.39 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1a2c n LEU 144 CO 0.57 -0.11 0.29 -1.59 -1.33 0.00 0.00 177.39 175.23 1a2c s LYS 145 N -3.28 1.14 0.48 3.23 -2.85 -1.26 -4.48 119.74 112.72 1a2c s LYS 145 Ca 0.02 -0.46 0.20 0.00 -1.00 0.00 0.00 55.97 54.74 1a2c s LYS 145 Cb 0.12 0.52 1.22 0.00 -2.06 0.00 0.00 37.83 37.62 1a2c s LYS 145 CO 0.77 -0.46 1.96 1.49 0.10 0.00 0.00 175.35 179.21 1a2c h GLU 146 N 2.35 0.21 -0.18 1.78 4.81 -1.91 -3.48 114.58 118.17 1a2c h GLU 146 Ca -0.33 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1a2c h GLU 146 Cb 1.26 -0.05 -0.15 0.00 0.63 0.00 0.00 28.75 30.45 1a2c h GLU 146 CO 0.42 0.14 -0.12 -2.37 -0.73 0.00 0.00 179.01 176.34 1a2c n THR 147 N -4.43 0.00 -1.30 0.32 5.66 -1.26 -4.86 114.28 108.41 1a2c n THR 147 Ca 0.12 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1a2c n THR 147 Cb 0.57 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.99 1a2c n THR 147 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1a2c n GLY 150 N 2.48 3.42 3.92 1.09 0.00 -1.26 -5.16 105.19 109.68 1a2c n GLY 150 Ca 0.11 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 1a2c n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a2c s GLN 151 N 3.28 3.50 0.51 1.61 -0.21 -1.26 -1.25 119.66 125.84 1a2c s GLN 151 Ca 0.00 -0.36 -0.05 0.00 0.02 0.00 0.00 55.36 54.97 1a2c s GLN 151 Cb 0.00 -2.94 -0.02 0.00 1.00 0.00 0.00 33.01 31.04 1a2c s GLN 151 CO 0.00 0.52 0.81 -1.25 -2.12 0.00 0.00 175.29 173.26 1a2c s PRO 152 N -2.81 3.35 -0.01 2.91 0.05 -1.26 -4.95 135.00 132.28 1a2c s PRO 152 Ca 0.37 0.12 0.15 0.00 0.05 0.00 0.00 61.00 61.69 1a2c s PRO 152 Cb -0.12 -2.35 -0.19 0.00 0.05 0.00 0.00 34.50 31.88 1a2c s PRO 152 CO 0.27 -0.35 0.67 -1.13 0.05 0.00 0.00 177.00 176.51 1a2c n SER 153 N -2.35 0.76 -4.50 6.66 3.41 -1.26 -4.65 113.62 111.69 1a2c n SER 153 Ca 0.02 0.35 -0.25 0.00 -0.26 0.00 0.00 58.87 58.72 1a2c n SER 153 Cb 0.56 0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.60 1a2c n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1a2c s VAL 154 N -2.75 2.71 0.26 -3.33 1.01 -1.26 0.96 120.40 117.99 1a2c s VAL 154 Ca -0.05 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.54 1a2c s VAL 154 Cb 0.08 -2.38 -0.14 0.00 0.00 0.00 0.00 36.38 33.95 1a2c s VAL 154 CO 0.82 -0.26 1.18 -0.11 0.00 0.00 0.00 175.10 176.73 1a2c n LEU 155 N -0.28 2.28 -4.68 3.92 7.94 -0.52 -4.84 117.00 120.83 1a2c n LEU 155 Ca -0.08 1.17 -0.23 0.00 -1.11 0.00 0.00 56.01 55.75 1a2c n LEU 155 Cb 0.58 -1.33 -0.07 0.00 0.53 0.00 0.00 43.42 43.13 1a2c n LEU 155 CO 0.35 -1.04 -0.27 -1.10 -1.11 0.00 0.00 177.39 174.23 1a2c s GLN 156 N -1.06 2.28 -0.02 1.96 -1.52 -0.69 -1.23 119.66 119.38 1a2c s GLN 156 Ca 0.64 -1.54 -0.08 0.00 -1.95 0.00 0.00 55.36 52.43 1a2c s GLN 156 Cb -0.71 -2.12 0.01 0.00 -0.22 0.00 0.00 33.01 29.98 1a2c s GLN 156 CO 0.56 0.22 0.18 0.14 -0.25 0.00 0.00 175.29 176.13 1a2c s VAL 157 N -2.41 0.06 -0.01 1.09 -7.23 0.20 -2.56 120.40 109.54 1a2c s VAL 157 Ca 0.35 -0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 59.94 1a2c s VAL 157 Cb -0.03 -0.41 0.01 0.00 0.56 0.00 0.00 36.38 36.51 1a2c s VAL 157 CO 0.21 -0.26 0.23 0.54 -0.31 0.00 0.00 175.10 175.51 1a2c s VAL 158 N -0.96 0.07 -0.13 1.32 0.11 -0.39 -1.71 120.40 118.71 1a2c s VAL 158 Ca -0.10 -0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 58.36 1a2c s VAL 158 Cb -0.06 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1a2c s VAL 158 CO 0.02 -0.30 -0.01 0.20 -3.33 0.00 0.00 175.10 171.67 1a2c s ASN 159 N -1.28 5.08 0.09 3.54 0.01 -1.26 -0.49 114.94 120.63 1a2c s ASN 159 Ca -0.13 0.02 0.06 0.00 -0.71 0.00 0.00 52.86 52.09 1a2c s ASN 159 Cb -0.06 -1.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.92 1a2c s ASN 159 CO 0.03 0.27 -0.14 -0.76 -1.51 0.00 0.00 177.10 174.98 1a2c s LEU 160 N -0.21 2.33 0.31 0.60 1.43 0.05 -4.90 118.68 118.29 1a2c s LEU 160 Ca 0.05 -0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 52.27 1a2c s LEU 160 Cb -0.13 -0.55 -0.09 0.00 0.03 0.00 0.00 46.19 45.46 1a2c s LEU 160 CO 0.02 -0.10 0.78 -2.16 0.23 0.00 0.00 176.35 175.13 1a2c s PRO 161 N -2.14 4.15 0.24 1.29 0.05 -1.26 -1.65 135.00 135.68 1a2c s PRO 161 Ca 0.03 0.84 -0.30 0.00 0.05 0.00 0.00 61.00 61.63 1a2c s PRO 161 Cb -0.08 -2.53 -0.09 0.00 0.05 0.00 0.00 34.50 31.85 1a2c s PRO 161 CO 0.03 0.20 1.09 0.42 0.05 0.00 0.00 177.00 178.79 1a2c s ILE 162 N -1.87 3.66 0.04 0.56 -1.09 0.12 -2.49 121.20 120.13 1a2c s ILE 162 Ca 0.52 1.57 0.06 0.00 -2.23 0.00 0.00 60.65 60.57 1a2c s ILE 162 Cb -0.12 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 1a2c s ILE 162 CO 0.18 0.33 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.39 1a2c s VAL 163 N -0.79 3.09 0.27 2.92 1.01 -1.00 0.41 120.40 126.31 1a2c s VAL 163 Ca 0.46 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1a2c s VAL 163 Cb -0.31 -2.33 -0.11 0.00 0.00 0.00 0.00 36.38 33.63 1a2c s VAL 163 CO 0.38 0.32 1.56 -1.61 0.00 0.00 0.00 175.10 175.75 1a2c s GLU 164 N -1.53 4.16 0.15 2.72 8.01 -1.26 -4.64 118.70 126.31 1a2c s GLU 164 Ca 0.16 2.50 -0.28 0.00 0.01 0.00 0.00 54.97 57.37 1a2c s GLU 164 Cb -0.11 -3.05 -0.01 0.00 -4.31 0.00 0.00 34.13 26.65 1a2c s GLU 164 CO 0.07 -0.58 1.57 0.00 0.01 0.00 0.00 175.26 176.33 1a2c h ARG 165 N 5.06 -0.32 -0.77 1.61 2.47 -1.98 -1.78 114.38 118.67 1a2c h ARG 165 Ca -0.46 0.02 0.14 0.00 -1.26 0.00 0.00 59.98 58.42 1a2c h ARG 165 Cb 1.22 0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 29.52 1a2c h ARG 165 CO 0.80 -0.21 0.34 -1.35 0.56 0.00 0.00 179.97 180.11 1a2c h PRO 166 N -0.33 0.48 -0.93 0.04 0.10 -1.99 0.21 132.00 129.57 1a2c h PRO 166 Ca 0.13 -0.03 0.03 0.00 0.10 0.00 0.00 66.00 66.23 1a2c h PRO 166 Cb 0.59 -0.11 -0.05 0.00 0.10 0.00 0.00 31.00 31.52 1a2c h PRO 166 CO -0.58 0.32 0.61 0.28 0.10 0.00 0.00 178.00 178.73 1a2c h VAL 167 N 0.50 1.19 0.19 3.15 2.07 -1.87 -2.47 116.25 119.01 1a2c h VAL 167 Ca 0.42 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1a2c h VAL 167 Cb 0.61 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1a2c h VAL 167 CO -0.38 0.22 -0.22 0.00 0.02 0.00 0.00 177.57 177.21 1a2c h LYS 169 N -0.41 -0.07 0.00 0.00 1.79 -1.04 -2.70 116.57 114.13 1a2c h LYS 169 Ca -0.02 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1a2c h LYS 169 Cb 0.37 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1a2c h LYS 169 CO -0.04 -0.05 0.02 -0.25 -1.08 0.00 0.00 179.45 178.05 1a2c n ASP 170 N -5.46 0.00 -0.17 0.86 9.92 -0.94 -2.39 116.55 118.38 1a2c n ASP 170 Ca 0.08 0.38 0.06 0.00 -0.53 0.00 0.00 54.79 54.78 1a2c n ASP 170 Cb 0.38 -0.38 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1a2c n ASP 170 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1a2c n SER 171 N -1.38 1.05 -3.32 -2.24 3.41 -1.02 -5.01 113.62 105.11 1a2c n SER 171 Ca 0.00 -1.03 -0.16 0.00 -0.26 0.00 0.00 58.87 57.43 1a2c n SER 171 Cb 0.02 0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 64.60 1a2c n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1a2c s THR 172 N -1.82 0.00 -0.64 6.66 -1.32 -1.00 -4.86 115.64 112.65 1a2c s THR 172 Ca 0.08 -1.70 0.06 0.00 -1.21 0.00 0.00 61.69 58.92 1a2c s THR 172 Cb 0.10 -2.60 0.02 0.00 -1.51 0.00 0.00 72.50 68.51 1a2c s THR 172 CO 0.39 0.00 0.56 0.54 -2.21 0.00 0.00 174.62 173.90 1a2c n ARG 173 N -0.56 1.51 -2.74 7.08 1.74 -1.26 -4.90 116.66 117.53 1a2c n ARG 173 Ca 0.02 -0.61 -0.40 0.00 -0.77 0.00 0.00 57.85 56.10 1a2c n ARG 173 Cb 0.62 -1.01 -0.06 0.00 -1.02 0.00 0.00 32.46 30.98 1a2c n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a2c s ILE 174 N -0.85 4.05 -0.27 0.55 -1.09 -1.26 -5.01 121.20 117.31 1a2c s ILE 174 Ca 0.06 2.01 -0.27 0.00 -2.23 0.00 0.00 60.65 60.22 1a2c s ILE 174 Cb 0.05 -4.26 0.01 0.00 -1.58 0.00 0.00 42.46 36.68 1a2c s ILE 174 CO 0.13 0.44 0.95 -0.60 -1.23 0.00 0.00 174.94 174.62 1a2c s ARG 175 N -1.33 4.12 -0.05 2.79 3.52 -1.26 -5.00 118.95 121.73 1a2c s ARG 175 Ca 0.43 1.02 -0.28 0.00 -0.13 0.00 0.00 55.73 56.76 1a2c s ARG 175 Cb -0.25 -3.69 -0.03 0.00 -1.56 0.00 0.00 34.95 29.42 1a2c s ARG 175 CO 0.31 -0.69 0.93 0.42 -0.81 0.00 0.00 175.30 175.46 1a2c s ILE 176 N 3.20 4.88 0.31 4.11 -1.09 -1.26 -4.76 121.20 126.59 1a2c s ILE 176 Ca 0.40 1.92 0.09 0.00 -2.23 0.00 0.00 60.65 60.83 1a2c s ILE 176 Cb -0.14 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1a2c s ILE 176 CO 0.10 0.13 0.10 0.42 -1.23 0.00 0.00 174.94 174.46 1a2c s THR 177 N 1.31 3.20 0.60 2.92 -4.23 -1.26 -5.02 115.64 113.16 1a2c s THR 177 Ca 0.48 -1.75 0.28 0.00 -1.18 0.00 0.00 61.69 59.52 1a2c s THR 177 Cb -0.19 -2.95 0.37 0.00 1.34 0.00 0.00 72.50 71.06 1a2c s THR 177 CO 0.23 -0.25 1.85 0.44 -0.54 0.00 0.00 174.62 176.35 1a2c h ASP 178 N 1.65 0.00 0.00 3.99 3.32 -2.03 -0.41 116.42 122.94 1a2c h ASP 178 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1a2c h ASP 178 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1a2c h ASP 178 CO 0.62 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.73 1a2c n ASN 179 N -3.57 0.07 -4.20 6.45 3.02 -1.26 -4.79 115.26 110.99 1a2c n ASN 179 Ca 0.08 -1.44 -0.14 0.00 -0.03 0.00 0.00 54.58 53.04 1a2c n ASN 179 Cb 0.69 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.72 1a2c n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a2c s MET 180 N -1.90 0.90 0.06 3.52 -1.94 -0.17 -1.35 119.30 118.43 1a2c s MET 180 Ca 0.00 -1.25 -0.06 0.00 -1.71 0.00 0.00 55.69 52.67 1a2c s MET 180 Cb 0.00 -0.54 -0.01 0.00 2.01 0.00 0.00 34.83 36.29 1a2c s MET 180 CO 0.00 0.07 0.10 -0.59 -0.01 0.00 0.00 175.02 174.60 1a2c s PHE 181 N -2.75 0.27 0.12 -0.03 -0.12 -0.94 -4.85 117.98 109.67 1a2c s PHE 181 Ca 0.09 -0.70 0.08 0.00 -0.05 0.00 0.00 56.93 56.36 1a2c s PHE 181 Cb -0.01 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1a2c s PHE 181 CO -0.00 -0.45 -0.21 0.00 -0.05 0.00 0.00 175.22 174.51 1a2c s ALA 183 N -1.32 -0.79 0.00 0.00 0.00 0.16 -2.39 121.76 117.41 1a2c s ALA 183 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1a2c s ALA 183 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1a2c s ALA 183 CO 0.05 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1a2c n GLY 184 N 1.68 2.18 3.87 0.00 0.00 -1.04 -1.31 105.19 110.57 1a2c n GLY 184 Ca -0.19 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 1a2c n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a2c s TYR 184 N -1.96 3.45 0.19 1.61 2.02 -1.26 -4.48 117.35 116.92 1a2c s TYR 184 Ca 0.00 1.13 -0.17 0.00 -0.37 0.00 0.00 57.07 57.65 1a2c s TYR 184 Cb 0.00 -2.50 -0.08 0.00 -0.40 0.00 0.00 41.96 38.98 1a2c s TYR 184 CO 0.00 -0.09 0.65 0.15 -1.57 0.00 0.00 175.55 174.69 1a2c s LYS 185 N -3.67 4.13 0.61 -0.62 -0.14 -1.26 -4.82 119.74 113.97 1a2c s LYS 185 Ca 0.53 0.71 0.39 0.00 -1.36 0.00 0.00 55.97 56.23 1a2c s LYS 185 Cb -0.10 -2.91 1.97 0.00 -1.68 0.00 0.00 37.83 35.11 1a2c s LYS 185 CO 0.28 0.43 2.22 -1.00 -0.76 0.00 0.00 175.35 176.52 1a2c h PRO 186 N 3.49 0.00 -0.39 -1.68 0.14 -1.97 1.22 132.00 132.81 1a2c h PRO 186 Ca -0.48 0.00 -0.10 0.00 0.14 0.00 0.00 66.00 65.55 1a2c h PRO 186 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.32 1a2c h PRO 186 CO 0.65 0.02 -0.16 0.38 0.14 0.00 0.00 178.00 179.03 1a2c h ASP 186 N 0.00 0.82 -0.35 1.44 2.03 -1.98 -3.17 116.42 115.21 1a2c h ASP 186 Ca -0.00 -0.39 -0.03 0.00 -0.73 0.00 0.00 57.03 55.88 1a2c h ASP 186 Cb 0.20 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.45 1a2c h ASP 186 CO 0.00 1.03 0.13 -0.33 -1.03 0.00 0.00 179.24 179.04 1a2c h GLU 186 N 0.61 0.59 -0.12 4.15 5.08 0.11 -3.46 114.58 121.55 1a2c h GLU 186 Ca 0.09 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a2c h GLU 186 Cb 0.71 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1a2c h GLU 186 CO 0.05 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 178.99 1a2c n GLY 186 N -1.09 0.87 3.06 -3.84 0.00 -1.14 -5.00 105.19 98.04 1a2c n GLY 186 Ca 0.03 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 1a2c n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2c s LYS 186 N -3.18 0.25 0.00 1.61 -0.14 -1.26 -5.17 119.74 111.85 1a2c s LYS 186 Ca 0.00 0.10 0.00 0.00 -1.36 0.00 0.00 55.97 54.71 1a2c s LYS 186 Cb 0.00 0.12 0.00 0.00 -1.68 0.00 0.00 37.83 36.27 1a2c s LYS 186 CO 0.00 -0.04 0.00 2.89 -0.76 0.00 0.00 175.35 177.44 1a2c n ARG 187 N 2.66 0.83 0.00 1.68 1.85 -1.26 -4.56 116.66 117.86 1a2c n ARG 187 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 1a2c n ARG 187 Cb 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.99 1a2c n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a2c n GLY 188 N 1.19 3.68 3.63 2.89 0.00 -1.21 -4.88 105.19 110.50 1a2c n GLY 188 Ca 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 1a2c n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a2c s ASP 189 N 0.00 -0.06 1.06 1.61 2.15 -1.06 -4.70 116.67 115.67 1a2c s ASP 189 Ca 0.00 -0.00 -0.07 0.00 0.43 0.00 0.00 52.55 52.91 1a2c s ASP 189 Cb 0.00 0.06 0.09 0.00 -0.30 0.00 0.00 42.92 42.77 1a2c s ASP 189 CO 0.00 -0.10 0.40 0.00 -0.17 0.00 0.00 175.17 175.30 1a2c n ALA 190 N -0.04 -0.95 -3.75 3.66 0.00 -1.26 0.01 120.51 118.18 1a2c n ALA 190 Ca 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 1a2c n ALA 190 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1a2c n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a2c n GLU 192 N -0.49 0.00 0.00 0.00 2.13 -1.26 -1.68 120.64 119.34 1a2c n GLU 192 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1a2c n GLU 192 Cb 0.61 -0.90 0.00 0.00 0.27 0.00 0.00 31.44 31.42 1a2c n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a2c n GLY 193 N 2.64 2.75 0.12 8.31 0.00 -1.26 -1.86 105.19 115.89 1a2c n GLY 193 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1a2c n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a2c h ASP 194 N 0.00 0.18 -1.85 1.61 3.32 -1.66 -3.37 116.42 114.65 1a2c h ASP 194 Ca 0.00 -0.15 -0.62 0.00 0.02 0.00 0.00 57.03 56.29 1a2c h ASP 194 Cb 0.00 -0.06 0.16 0.00 0.22 0.00 0.00 39.33 39.65 1a2c h ASP 194 CO 0.00 0.95 -0.91 -0.24 -1.72 0.00 0.00 179.24 177.33 1a2c n SER 195 N -3.64 -2.73 0.00 6.45 2.88 -1.25 -2.62 113.62 112.71 1a2c n SER 195 Ca -0.03 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1a2c n SER 195 Cb 0.80 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1a2c n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a2c n GLY 196 N 2.29 1.43 3.83 0.46 0.00 -1.03 -0.87 105.19 111.31 1a2c n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1a2c n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a2c s GLY 197 N -1.91 1.70 0.09 -0.02 0.00 -1.08 -3.03 107.32 103.08 1a2c s GLY 197 Ca 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.60 1a2c s GLY 197 CO 0.00 -0.27 0.42 2.56 0.00 0.00 0.00 173.10 175.80 1a2c s PRO 198 N -5.69 3.78 -0.20 2.90 0.04 -1.26 -1.95 135.00 132.62 1a2c s PRO 198 Ca 0.71 0.20 -0.04 0.00 0.04 0.00 0.00 61.00 61.91 1a2c s PRO 198 Cb -0.07 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 1a2c s PRO 198 CO 0.53 0.55 -0.04 0.12 0.04 0.00 0.00 177.00 178.20 1a2c s PHE 199 N -1.42 2.96 0.03 0.56 2.19 -0.42 -3.72 117.98 118.17 1a2c s PHE 199 Ca 0.34 -0.74 -0.02 0.00 0.33 0.00 0.00 56.93 56.84 1a2c s PHE 199 Cb -0.14 -2.06 -0.02 0.00 -1.31 0.00 0.00 43.02 39.49 1a2c s PHE 199 CO 0.18 -0.39 0.02 0.14 1.83 0.00 0.00 175.22 176.99 1a2c s VAL 200 N 1.14 0.14 0.12 3.12 -7.23 -0.87 -1.47 120.40 115.34 1a2c s VAL 200 Ca 0.02 -1.14 0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1a2c s VAL 200 Cb -0.15 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1a2c s VAL 200 CO -0.00 -0.63 -0.14 -0.04 -0.31 0.00 0.00 175.10 173.98 1a2c s MET 201 N -2.29 1.00 -0.28 4.82 -1.94 -0.55 -1.32 119.30 118.75 1a2c s MET 201 Ca -0.08 -1.21 -0.10 0.00 -1.71 0.00 0.00 55.69 52.59 1a2c s MET 201 Cb -0.04 -0.90 -0.05 0.00 2.01 0.00 0.00 34.83 35.86 1a2c s MET 201 CO -0.04 0.18 0.17 0.21 -0.01 0.00 0.00 175.02 175.53 1a2c s LYS 202 N -2.56 3.89 0.17 2.03 2.20 -1.26 0.77 119.74 124.98 1a2c s LYS 202 Ca 0.08 -0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.02 1a2c s LYS 202 Cb -0.05 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.57 1a2c s LYS 202 CO 0.03 -0.19 1.43 0.45 -0.36 0.00 0.00 175.35 176.71 1a2c s SER 203 N 1.73 6.74 0.00 1.43 0.15 0.33 -4.88 113.70 119.21 1a2c s SER 203 Ca 0.07 2.48 0.29 0.00 0.70 0.00 0.00 55.95 59.49 1a2c s SER 203 Cb -0.16 -2.60 1.41 0.00 -1.71 0.00 0.00 66.02 62.96 1a2c s SER 203 CO 0.10 -0.69 1.99 -0.81 1.20 0.00 0.00 173.24 175.03 1a2c n PRO 204 N 3.42 0.31 -0.09 5.44 -0.05 -1.26 -0.05 135.00 142.72 1a2c n PRO 204 Ca 0.10 0.01 -0.20 0.00 -0.05 0.00 0.00 63.50 63.37 1a2c n PRO 204 Cb 0.41 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.24 1a2c n PRO 204 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 1a2c h PHE 204 N 0.00 0.03 0.00 0.54 0.04 -1.95 -3.41 116.94 112.18 1a2c h PHE 204 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1a2c h PHE 204 Cb 0.33 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1a2c h PHE 204 CO 0.00 1.35 -0.01 0.27 -0.60 0.00 0.00 178.31 179.32 1a2c n ASN 204 N -4.45 2.05 0.00 2.17 2.04 -1.25 -5.01 115.26 110.82 1a2c n ASN 204 Ca -0.25 -2.48 0.00 0.00 -0.44 0.00 0.00 54.58 51.41 1a2c n ASN 204 Cb 0.64 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 37.68 1a2c n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1a2c n ASN 205 N -0.91 -4.43 -4.85 0.53 4.13 0.92 -4.98 115.26 105.67 1a2c n ASN 205 Ca 0.07 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 56.02 1a2c n ASN 205 Cb 0.45 -2.97 -0.04 0.00 -1.54 0.00 0.00 39.78 35.68 1a2c n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1a2c s ARG 206 N -1.61 3.92 -0.22 3.52 0.52 -1.24 -4.76 118.95 119.09 1a2c s ARG 206 Ca 0.00 0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 55.80 1a2c s ARG 206 Cb 0.00 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 1a2c s ARG 206 CO 0.00 -0.08 0.35 -1.58 0.02 0.00 0.00 175.30 174.01 1a2c s TRP 207 N -2.37 3.35 -0.00 -0.53 0.52 -1.26 0.12 118.94 118.77 1a2c s TRP 207 Ca 0.55 0.52 0.05 0.00 0.02 0.00 0.00 56.10 57.24 1a2c s TRP 207 Cb -0.10 -2.48 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1a2c s TRP 207 CO 0.27 -0.02 -0.13 0.71 0.02 0.00 0.00 176.95 177.80 1a2c s TYR 208 N 1.34 2.70 -0.43 -1.98 2.02 0.23 -2.40 117.35 118.83 1a2c s TYR 208 Ca 0.16 -0.16 -0.19 0.00 -0.37 0.00 0.00 57.07 56.51 1a2c s TYR 208 Cb -0.15 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1a2c s TYR 208 CO 0.07 0.26 0.55 -1.14 -1.57 0.00 0.00 175.55 173.72 1a2c s GLN 209 N -1.17 3.19 0.01 -0.62 0.74 -0.72 -1.48 119.66 119.61 1a2c s GLN 209 Ca 0.14 -0.56 -0.12 0.00 0.05 0.00 0.00 55.36 54.87 1a2c s GLN 209 Cb -0.11 -3.96 -0.33 0.00 1.10 0.00 0.00 33.01 29.71 1a2c s GLN 209 CO 0.04 -0.94 0.91 0.52 -0.55 0.00 0.00 175.29 175.27 1a2c h MET 210 N 8.81 0.44 -5.25 1.67 2.86 -1.60 -3.40 114.93 118.46 1a2c h MET 210 Ca -0.26 -0.76 -0.38 0.00 -2.06 0.00 0.00 59.70 56.24 1a2c h MET 210 Cb 1.10 0.28 -0.19 0.00 0.06 0.00 0.00 31.60 32.85 1a2c h MET 210 CO 0.85 1.35 -0.76 0.20 1.06 0.00 0.00 176.91 179.61 1a2c s GLY 211 N -4.79 0.95 -0.14 8.32 0.00 -0.97 -1.38 107.32 109.30 1a2c s GLY 211 Ca -0.10 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.42 1a2c s GLY 211 CO 0.91 -1.24 -0.10 -0.42 0.00 0.00 0.00 173.10 172.24 1a2c s ILE 212 N -2.02 3.27 -0.24 0.90 1.01 -0.74 -1.30 121.20 122.09 1a2c s ILE 212 Ca 0.05 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 1a2c s ILE 212 Cb -0.06 -2.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.95 1a2c s ILE 212 CO 0.02 0.51 2.21 0.52 0.00 0.00 0.00 174.94 178.20 1a2c n VAL 213 N 3.62 0.31 -0.00 2.92 0.31 -0.82 -1.66 118.33 123.01 1a2c n VAL 213 Ca -0.18 -0.41 -0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1a2c n VAL 213 Cb 0.52 -2.36 -0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1a2c n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a2c n SER 214 N 11.23 0.05 -3.76 4.52 2.88 0.29 -2.45 113.62 126.37 1a2c n SER 214 Ca 0.32 0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.78 1a2c n SER 214 Cb 0.40 -0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.55 1a2c n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1a2c s TRP 215 N -1.05 -0.12 -0.09 0.66 1.48 -0.73 -4.96 118.94 114.14 1a2c s TRP 215 Ca -0.00 -0.24 -0.30 0.00 -1.06 0.00 0.00 56.10 54.50 1a2c s TRP 215 Cb 0.00 0.45 0.10 0.00 -1.16 0.00 0.00 33.47 32.86 1a2c s TRP 215 CO 0.01 -0.99 0.85 0.20 -4.06 0.00 0.00 176.95 172.96 1a2c s GLY 216 N -2.89 -0.42 -0.67 3.67 0.00 -1.26 -1.24 107.32 104.50 1a2c s GLY 216 Ca 0.10 1.57 -0.27 0.00 0.00 0.00 0.00 44.72 46.13 1a2c s GLY 216 CO -0.00 0.88 1.53 -0.54 0.00 0.00 0.00 173.10 174.97 1a2c s GLU 217 N -1.50 2.96 0.46 2.90 0.41 -1.26 -4.87 118.70 117.80 1a2c s GLU 217 Ca -0.04 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.68 1a2c s GLU 217 Cb -0.00 -4.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.08 1a2c s GLU 217 CO 0.03 -2.38 0.00 0.41 -0.49 0.00 0.00 175.26 172.83 1a2c n GLY 219 N 5.51 -2.79 3.73 -1.39 0.00 -1.26 -4.60 105.19 104.38 1a2c n GLY 219 Ca 0.11 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1a2c n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2c n ASP 221 N 3.34 -4.22 -4.75 0.00 2.03 -1.26 -4.52 116.55 107.17 1a2c n ASP 221 Ca -0.00 -0.66 -0.40 0.00 0.52 0.00 0.00 54.79 54.24 1a2c n ASP 221 Cb 0.51 -3.42 -0.05 0.00 -0.72 0.00 0.00 41.12 37.43 1a2c n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1a2c s ARG 221 N -6.43 4.62 0.16 -0.67 1.81 -1.26 -4.96 118.95 112.23 1a2c s ARG 221 Ca 0.57 1.27 -0.34 0.00 -1.72 0.00 0.00 55.73 55.51 1a2c s ARG 221 Cb -0.30 -3.34 -0.15 0.00 -0.45 0.00 0.00 34.95 30.71 1a2c s ARG 221 CO 0.71 0.34 1.39 -3.47 -0.68 0.00 0.00 175.30 173.59 1a2c n ASP 222 N 2.41 2.25 0.00 0.23 2.03 -1.26 -1.53 116.55 120.68 1a2c n ASP 222 Ca -0.01 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1a2c n ASP 222 Cb 0.49 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 1a2c n ASP 222 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a2c n GLY 223 N 2.59 0.67 3.59 0.27 0.00 -1.26 -5.01 105.19 106.04 1a2c n GLY 223 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1a2c n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2c s LYS 224 N -0.21 2.13 0.07 1.61 1.02 -0.58 -4.84 119.74 118.93 1a2c s LYS 224 Ca 0.00 -1.33 0.04 0.00 0.02 0.00 0.00 55.97 54.71 1a2c s LYS 224 Cb 0.00 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1a2c s LYS 224 CO 0.00 0.41 -0.12 0.71 -0.92 0.00 0.00 175.35 175.43 1a2c s TYR 225 N -1.92 1.06 0.48 3.18 1.51 -1.26 -4.74 117.35 115.65 1a2c s TYR 225 Ca 0.27 -0.48 -0.20 0.00 -1.01 0.00 0.00 57.07 55.65 1a2c s TYR 225 Cb -0.08 -0.60 -0.09 0.00 -0.11 0.00 0.00 41.96 41.08 1a2c s TYR 225 CO 0.17 0.02 1.01 0.20 -1.11 0.00 0.00 175.55 175.83 1a2c s GLY 226 N -1.75 2.42 0.00 0.71 0.00 -0.43 -4.55 107.32 103.72 1a2c s GLY 226 Ca -0.04 0.50 0.06 0.00 0.00 0.00 0.00 44.72 45.24 1a2c s GLY 226 CO 0.02 0.80 -0.17 -1.36 0.00 0.00 0.00 173.10 172.38 1a2c s PHE 227 N -2.12 2.59 0.01 1.90 0.40 -0.37 -0.67 117.98 119.71 1a2c s PHE 227 Ca 0.65 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 1a2c s PHE 227 Cb -0.13 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 1a2c s PHE 227 CO 0.19 0.20 -0.02 0.71 0.70 0.00 0.00 175.22 177.00 1a2c s TYR 228 N -0.82 0.16 0.44 0.36 1.51 -0.36 -0.55 117.35 118.09 1a2c s TYR 228 Ca 0.13 -0.17 -0.25 0.00 -1.01 0.00 0.00 57.07 55.77 1a2c s TYR 228 Cb -0.10 -0.11 -0.08 0.00 -0.11 0.00 0.00 41.96 41.56 1a2c s TYR 228 CO 0.03 -0.05 1.36 0.99 -1.11 0.00 0.00 175.55 176.76 1a2c s THR 229 N -0.46 2.34 -0.92 -0.71 2.01 -0.66 -2.21 115.64 115.03 1a2c s THR 229 Ca -0.04 0.29 -0.19 0.00 0.31 0.00 0.00 61.69 62.07 1a2c s THR 229 Cb -0.03 -3.17 0.13 0.00 0.01 0.00 0.00 72.50 69.44 1a2c s THR 229 CO -0.00 0.04 1.11 -2.28 -0.69 0.00 0.00 174.62 172.79 1a2c s HIS 230 N -1.25 3.13 0.20 4.92 2.46 -0.46 -1.79 115.29 122.51 1a2c s HIS 230 Ca 0.60 -1.40 -0.11 0.00 0.47 0.00 0.00 55.06 54.63 1a2c s HIS 230 Cb -0.40 -4.26 0.23 0.00 -0.13 0.00 0.00 32.58 28.02 1a2c s HIS 230 CO 0.52 -1.47 1.74 0.28 -2.47 0.00 0.00 174.74 173.33 1a2c h VAL 231 N 5.80 0.77 -0.43 0.89 2.07 -1.54 -2.25 116.25 121.56 1a2c h VAL 231 Ca 0.14 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1a2c h VAL 231 Cb 1.03 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1a2c h VAL 231 CO 1.09 0.07 0.27 0.15 0.02 0.00 0.00 177.57 179.17 1a2c h PHE 232 N 0.36 0.51 -0.06 1.57 3.57 -1.86 -1.35 116.94 119.68 1a2c h PHE 232 Ca 0.28 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.81 1a2c h PHE 232 Cb 0.34 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1a2c h PHE 232 CO -0.18 0.32 0.22 0.00 -2.23 0.00 0.00 178.31 176.44 1a2c h ARG 233 N 0.55 0.00 -0.16 1.11 2.47 -1.80 -0.96 114.38 115.59 1a2c h ARG 233 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1a2c h ARG 233 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1a2c h ARG 233 CO -0.05 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.76 1a2c n LEU 234 N -3.18 2.55 -0.35 3.04 4.77 -0.56 -4.64 117.00 118.63 1a2c n LEU 234 Ca -0.01 -1.32 0.06 0.00 -0.03 0.00 0.00 56.01 54.71 1a2c n LEU 234 Cb 0.30 -0.10 0.24 0.00 -2.33 0.00 0.00 43.42 41.52 1a2c n LEU 234 CO 0.19 0.53 1.24 0.50 -1.33 0.00 0.00 177.39 178.53 1a2c h LYS 235 N 2.83 0.99 -0.49 3.23 3.64 -0.62 0.61 116.57 126.75 1a2c h LYS 235 Ca 0.00 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1a2c h LYS 235 Cb 0.68 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1a2c h LYS 235 CO 0.00 0.65 0.14 0.87 -2.27 0.00 0.00 179.45 178.84 1a2c h LYS 236 N 1.02 0.73 -0.04 1.90 6.56 -1.82 2.04 116.57 126.95 1a2c h LYS 236 Ca 0.46 -0.13 -0.01 0.00 -1.06 0.00 0.00 60.65 59.92 1a2c h LYS 236 Cb 0.39 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1a2c h LYS 236 CO -0.22 0.65 -0.01 2.35 -2.06 0.00 0.00 179.45 180.16 1a2c h TRP 237 N 0.71 0.08 -0.54 -1.35 7.01 -1.27 0.13 115.95 120.72 1a2c h TRP 237 Ca 0.16 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.17 1a2c h TRP 237 Cb 0.23 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1a2c h TRP 237 CO 0.01 0.42 0.36 0.82 -2.79 0.00 0.00 178.44 177.26 1a2c h ILE 238 N -0.27 1.08 -0.17 2.65 2.04 0.16 -2.82 117.51 120.17 1a2c h ILE 238 Ca 0.01 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1a2c h ILE 238 Cb 0.39 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1a2c h ILE 238 CO 0.00 0.12 -0.00 1.56 0.00 0.00 0.00 178.15 179.83 1a2c h GLN 239 N 0.65 0.31 0.24 2.37 7.50 0.40 -3.07 115.11 123.50 1a2c h GLN 239 Ca 0.22 -0.10 -0.00 0.00 0.50 0.00 0.00 58.65 59.26 1a2c h GLN 239 Cb 0.06 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.55 1a2c h GLN 239 CO -0.06 0.53 -0.34 -0.22 -1.50 0.00 0.00 178.83 177.24 1a2c h LYS 240 N 0.06 -0.58 -0.41 1.46 3.64 -0.53 -1.67 116.57 118.54 1a2c h LYS 240 Ca 0.05 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1a2c h LYS 240 Cb 0.39 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1a2c h LYS 240 CO 0.01 -0.39 0.27 -0.39 -2.27 0.00 0.00 179.45 176.68 1a2c h VAL 241 N -0.61 1.03 -0.27 2.00 -1.51 -1.59 0.55 116.25 115.85 1a2c h VAL 241 Ca -0.03 -0.15 -0.06 0.00 -1.23 0.00 0.00 66.70 65.23 1a2c h VAL 241 Cb 0.55 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 1a2c h VAL 241 CO -0.10 0.08 -0.08 0.40 -1.23 0.00 0.00 177.57 176.64 1a2c h ILE 242 N 0.43 1.29 -0.42 7.19 2.04 -1.36 0.24 117.51 126.91 1a2c h ILE 242 Ca 0.17 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1a2c h ILE 242 Cb 0.13 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1a2c h ILE 242 CO -0.04 0.35 0.20 -0.78 0.00 0.00 0.00 178.15 177.88 1a2c h ASP 243 N 0.29 0.56 -0.70 1.72 3.58 -0.34 2.26 116.42 123.79 1a2c h ASP 243 Ca 0.07 -0.14 0.08 0.00 0.42 0.00 0.00 57.03 57.46 1a2c h ASP 243 Cb 0.56 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.40 1a2c h ASP 243 CO 0.03 0.54 0.37 1.56 -2.88 0.00 0.00 179.24 178.86 1a2c h GLN 244 N 0.54 0.63 0.00 0.28 1.08 0.19 -3.35 115.11 114.49 1a2c h GLN 244 Ca 0.14 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.18 1a2c h GLN 244 Cb 0.14 -0.14 -0.13 0.00 -0.05 0.00 0.00 27.48 27.30 1a2c h GLN 244 CO -0.02 0.42 -0.27 1.97 -0.95 0.00 0.00 178.83 179.98 1a2c n PHE 245 N -4.82 -0.20 -0.01 2.96 1.16 0.82 -5.03 117.46 112.35 1a2c n PHE 245 Ca 0.10 -0.59 0.00 0.00 -1.87 0.00 0.00 57.45 55.09 1a2c n PHE 245 Cb 0.23 0.59 0.00 0.00 -1.61 0.00 0.00 39.48 38.69 1a2c n PHE 245 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1a2c n GLY 246 N -0.15 -1.75 0.92 4.97 0.00 0.76 -4.98 105.19 104.96 1a2c n GLY 246 Ca -0.26 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.41 1a2c n GLY 246 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50