#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3da9 s VAL 38 N 0.00 5.39 -1.40 1.39 1.01 0.38 -4.09 120.40 123.08 3da9 s VAL 38 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 3da9 s VAL 38 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3da9 s VAL 38 CO 0.00 0.47 0.18 -0.62 0.00 0.00 0.00 175.10 175.13 3da9 n GLU 39 N 3.15 -2.31 0.00 2.72 -0.58 -1.26 -2.48 120.64 119.87 3da9 n GLU 39 Ca -0.16 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 3da9 n GLU 39 Cb 0.53 -5.28 0.00 0.00 -0.57 0.00 0.00 31.44 26.11 3da9 n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3da9 n GLY 40 N -1.15 1.77 3.15 0.62 0.00 -1.26 -4.60 105.19 103.72 3da9 n GLY 40 Ca -0.17 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.78 3da9 n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3da9 s SER 41 N -1.00 0.33 0.25 1.61 0.01 -0.24 -4.92 113.70 109.74 3da9 s SER 41 Ca 0.00 -1.01 -0.31 0.00 1.31 0.00 0.00 55.95 55.95 3da9 s SER 41 Cb 0.00 0.28 -0.11 0.00 0.21 0.00 0.00 66.02 66.40 3da9 s SER 41 CO 0.00 -0.69 1.59 -1.81 0.41 0.00 0.00 173.24 172.74 3da9 s ASP 42 N -2.96 6.45 0.58 2.44 1.11 -1.26 -0.27 116.67 122.76 3da9 s ASP 42 Ca 0.14 2.84 -0.19 0.00 0.18 0.00 0.00 52.55 55.51 3da9 s ASP 42 Cb 0.07 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 3da9 s ASP 42 CO -0.05 -0.87 1.21 0.00 1.18 0.00 0.00 175.17 176.64 3da9 s ALA 43 N 0.37 2.61 0.62 5.23 0.00 0.47 -4.77 121.76 126.28 3da9 s ALA 43 Ca 0.66 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 53.50 3da9 s ALA 43 Cb -0.46 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 3da9 s ALA 43 CO 0.42 -1.12 1.05 -1.21 0.00 0.00 0.00 175.76 174.90 3da9 s GLU 44 N -3.24 3.26 0.23 0.00 2.02 -1.26 -4.93 118.70 114.79 3da9 s GLU 44 Ca 0.76 1.08 -0.32 0.00 0.02 0.00 0.00 54.97 56.51 3da9 s GLU 44 Cb -0.31 -2.03 -0.12 0.00 0.10 0.00 0.00 34.13 31.77 3da9 s GLU 44 CO 0.34 -0.84 1.70 -0.89 0.02 0.00 0.00 175.26 175.58 3da9 n ILE 45 N -2.38 0.25 -1.29 -1.63 2.08 -1.26 -2.22 119.36 112.92 3da9 n ILE 45 Ca 0.08 -0.06 -0.10 0.00 0.56 0.00 0.00 62.75 63.23 3da9 n ILE 45 Cb 0.53 -1.99 -0.04 0.00 -0.75 0.00 0.00 39.64 37.39 3da9 n ILE 45 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3da9 n GLY 46 N 3.54 1.08 0.10 7.39 0.00 -1.26 -4.89 105.19 111.15 3da9 n GLY 46 Ca 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 3da9 n GLY 46 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3da9 h MET 47 N 0.10 0.00 -2.08 1.61 -1.53 -1.82 -3.36 114.93 107.85 3da9 h MET 47 Ca -0.20 0.00 -0.56 0.00 -3.44 0.00 0.00 59.70 55.49 3da9 h MET 47 Cb 0.84 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.49 3da9 h MET 47 CO 0.30 0.81 -0.93 0.45 0.14 0.00 0.00 176.91 177.68 3da9 n SER 48 N -3.56 1.66 0.00 1.39 2.88 -1.26 -4.97 113.62 109.75 3da9 n SER 48 Ca -0.01 -3.03 0.07 0.00 -1.33 0.00 0.00 58.87 54.57 3da9 n SER 48 Cb 0.78 -0.64 0.31 0.00 -0.75 0.00 0.00 64.21 63.92 3da9 n SER 48 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3da9 n PRO 49 N 0.96 0.00 0.00 -1.46 -0.04 -1.26 -1.00 135.00 132.21 3da9 n PRO 49 Ca 0.25 0.25 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 3da9 n PRO 49 Cb 0.50 -1.51 0.49 0.00 -0.04 0.00 0.00 33.50 32.94 3da9 n PRO 49 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3da9 n TRP 50 N -1.52 0.00 -2.06 0.54 2.14 -0.99 -1.91 117.44 113.65 3da9 n TRP 50 Ca 0.03 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.19 3da9 n TRP 50 Cb 0.17 -0.11 -0.03 0.00 -0.81 0.00 0.00 31.31 30.53 3da9 n TRP 50 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3da9 s GLN 51 N -2.39 4.29 0.00 -2.67 2.00 -0.17 -0.47 119.66 120.26 3da9 s GLN 51 Ca 0.29 2.25 0.06 0.00 -2.00 0.00 0.00 55.36 55.95 3da9 s GLN 51 Cb 0.20 -3.13 -0.02 0.00 0.80 0.00 0.00 33.01 30.86 3da9 s GLN 51 CO 0.47 -0.40 -0.17 0.08 -0.50 0.00 0.00 175.29 174.77 3da9 s VAL 52 N 0.12 1.38 -0.21 1.34 1.01 -0.23 -4.06 120.40 119.75 3da9 s VAL 52 Ca 0.59 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 3da9 s VAL 52 Cb -0.41 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3da9 s VAL 52 CO 0.41 0.30 0.10 -0.32 0.00 0.00 0.00 175.10 175.59 3da9 s MET 53 N -0.64 3.98 -0.24 2.72 1.75 -0.20 -1.23 119.30 125.44 3da9 s MET 53 Ca 0.06 -0.33 -0.21 0.00 -1.25 0.00 0.00 55.69 53.97 3da9 s MET 53 Cb -0.07 -3.34 -0.02 0.00 2.84 0.00 0.00 34.83 34.24 3da9 s MET 53 CO 0.00 0.16 0.64 -0.51 -0.65 0.00 0.00 175.02 174.66 3da9 s LEU 54 N 0.71 4.08 -0.13 4.11 1.43 0.29 -1.06 118.68 128.12 3da9 s LEU 54 Ca 0.05 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.93 3da9 s LEU 54 Cb -0.13 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.22 3da9 s LEU 54 CO 0.02 -0.35 -0.22 0.12 0.23 0.00 0.00 176.35 176.14 3da9 s PHE 55 N 2.36 2.64 -0.04 0.29 5.36 -0.13 -0.07 117.98 128.38 3da9 s PHE 55 Ca 0.27 -1.22 -0.28 0.00 -0.96 0.00 0.00 56.93 54.74 3da9 s PHE 55 Cb -0.16 -1.78 -0.03 0.00 -0.34 0.00 0.00 43.02 40.72 3da9 s PHE 55 CO 0.09 -0.53 0.90 0.50 -1.46 0.00 0.00 175.22 174.71 3da9 s ARG 56 N 0.64 4.49 0.07 10.12 3.52 0.28 -0.80 118.95 137.27 3da9 s ARG 56 Ca -0.11 1.24 -0.22 0.00 -0.13 0.00 0.00 55.73 56.51 3da9 s ARG 56 Cb -0.16 -3.48 -0.13 0.00 -1.56 0.00 0.00 34.95 29.62 3da9 s ARG 56 CO 0.02 -0.08 1.61 0.87 -0.81 0.00 0.00 175.30 176.92 3da9 h LYS 57 N 6.87 0.13 -2.53 5.12 1.57 -1.79 -2.76 116.57 123.18 3da9 h LYS 57 Ca -0.39 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 3da9 h LYS 57 Cb 1.20 -0.02 -0.28 0.00 0.08 0.00 0.00 32.23 33.21 3da9 h LYS 57 CO 0.77 0.24 -0.38 -1.54 -0.57 0.00 0.00 179.45 177.98 3da9 s SER 58 N -5.46 -0.22 0.59 0.86 1.04 -1.26 -3.37 113.70 105.88 3da9 s SER 58 Ca -0.14 0.97 -0.20 0.00 0.48 0.00 0.00 55.95 57.07 3da9 s SER 58 Cb 0.06 1.31 -0.03 0.00 0.10 0.00 0.00 66.02 67.46 3da9 s SER 58 CO 0.68 -0.23 1.28 -2.16 0.98 0.00 0.00 173.24 173.79 3da9 s PRO 59 N 2.60 2.90 -0.37 4.02 0.04 -1.26 -5.05 135.00 137.88 3da9 s PRO 59 Ca -0.02 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.77 3da9 s PRO 59 Cb -0.12 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3da9 s PRO 59 CO -0.13 -1.31 1.79 -0.65 0.04 0.00 0.00 177.00 176.74 3da9 s GLN 60 N -3.19 3.25 0.14 4.56 -0.21 -1.22 -4.61 119.66 118.39 3da9 s GLN 60 Ca 0.77 1.29 -0.19 0.00 0.02 0.00 0.00 55.36 57.25 3da9 s GLN 60 Cb -0.36 -4.21 0.05 0.00 1.00 0.00 0.00 33.01 29.49 3da9 s GLN 60 CO 0.40 -1.96 0.49 -1.83 -2.12 0.00 0.00 175.29 170.27 3da9 s GLU 61 N 5.81 1.17 0.11 2.91 -1.05 -1.04 -4.99 118.70 121.62 3da9 s GLU 61 Ca 0.77 -0.61 -0.31 0.00 -0.15 0.00 0.00 54.97 54.67 3da9 s GLU 61 Cb -0.21 0.53 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 3da9 s GLU 61 CO 0.32 -0.49 1.44 -1.17 0.95 0.00 0.00 175.26 176.31 3da9 s LEU 62 N -2.78 4.36 -0.26 1.83 2.96 -1.26 -0.56 118.68 122.97 3da9 s LEU 62 Ca 0.02 2.36 -0.05 0.00 -0.22 0.00 0.00 54.13 56.24 3da9 s LEU 62 Cb 0.00 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.96 3da9 s LEU 62 CO -0.12 -0.70 -0.25 0.18 -1.32 0.00 0.00 176.35 174.13 3da9 n LEU 63 N 4.24 2.54 -3.64 -0.68 4.77 0.91 -4.84 117.00 120.30 3da9 n LEU 63 Ca 0.12 0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 56.17 3da9 n LEU 63 Cb 0.42 -0.88 -0.01 0.00 -2.33 0.00 0.00 43.42 40.62 3da9 n LEU 63 CO 0.59 0.78 0.97 0.00 -1.33 0.00 0.00 177.39 178.41 3da9 s GLY 65 N -2.86 1.77 0.12 0.00 0.00 0.32 -0.55 107.32 106.12 3da9 s GLY 65 Ca 0.13 -1.60 -0.24 0.00 0.00 0.00 0.00 44.72 43.00 3da9 s GLY 65 CO -0.03 -1.12 1.12 0.00 0.00 0.00 0.00 173.10 173.07 3da9 s ALA 66 N -3.04 -1.87 0.02 3.20 0.00 -0.37 -3.57 121.76 116.14 3da9 s ALA 66 Ca 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 3da9 s ALA 66 Cb -0.07 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3da9 s ALA 66 CO 0.43 -1.09 0.02 -1.54 0.00 0.00 0.00 175.76 173.58 3da9 s SER 67 N -3.49 0.21 -0.25 0.00 1.04 -0.13 -1.07 113.70 110.02 3da9 s SER 67 Ca 0.23 -0.50 -0.18 0.00 0.48 0.00 0.00 55.95 55.99 3da9 s SER 67 Cb -0.02 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 3da9 s SER 67 CO 0.03 -0.38 0.50 -0.22 0.98 0.00 0.00 173.24 174.16 3da9 s LEU 68 N -1.70 4.07 -0.00 2.42 2.96 0.38 -0.86 118.68 125.95 3da9 s LEU 68 Ca -0.12 0.54 0.11 0.00 -0.22 0.00 0.00 54.13 54.44 3da9 s LEU 68 Cb -0.06 -2.65 -0.12 0.00 0.50 0.00 0.00 46.19 43.85 3da9 s LEU 68 CO -0.02 -0.25 0.47 2.30 -1.32 0.00 0.00 176.35 177.53 3da9 n ILE 69 N 5.01 0.00 -3.41 6.68 -5.35 -0.57 -1.70 119.36 120.01 3da9 n ILE 69 Ca -0.05 -0.24 -0.01 0.00 -0.27 0.00 0.00 62.75 62.18 3da9 n ILE 69 Cb 0.50 0.97 0.01 0.00 -1.74 0.00 0.00 39.64 39.38 3da9 n ILE 69 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3da9 n SER 70 N -1.29 -0.50 0.00 7.28 3.41 -1.19 -4.74 113.62 116.60 3da9 n SER 70 Ca 0.02 -1.30 0.11 0.00 -0.26 0.00 0.00 58.87 57.44 3da9 n SER 70 Cb 0.18 0.82 0.51 0.00 -0.26 0.00 0.00 64.21 65.46 3da9 n SER 70 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3da9 n ASP 71 N -0.91 0.00 0.00 4.04 3.85 -1.26 -3.78 116.55 118.49 3da9 n ASP 71 Ca -0.01 0.45 0.00 0.00 -0.71 0.00 0.00 54.79 54.52 3da9 n ASP 71 Cb 0.15 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.44 3da9 n ASP 71 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3da9 n ARG 72 N -1.48 -0.00 -4.80 0.11 1.74 -1.26 -1.04 116.66 109.93 3da9 n ARG 72 Ca 0.06 -0.39 -0.26 0.00 -0.77 0.00 0.00 57.85 56.50 3da9 n ARG 72 Cb 0.27 -0.71 -0.16 0.00 -1.02 0.00 0.00 32.46 30.84 3da9 n ARG 72 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3da9 s TRP 73 N -0.11 1.65 -0.02 -1.55 0.52 -1.25 -0.59 118.94 117.59 3da9 s TRP 73 Ca 0.00 -0.46 0.05 0.00 0.02 0.00 0.00 56.10 55.71 3da9 s TRP 73 Cb 0.00 -1.11 -0.01 0.00 -1.15 0.00 0.00 33.47 31.20 3da9 s TRP 73 CO 0.00 -0.15 -0.18 0.08 0.02 0.00 0.00 176.95 176.72 3da9 s VAL 74 N 0.02 1.44 -0.08 4.03 1.01 -0.28 -1.52 120.40 125.03 3da9 s VAL 74 Ca -0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3da9 s VAL 74 Cb -0.11 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3da9 s VAL 74 CO 0.02 0.41 -0.05 -0.22 0.00 0.00 0.00 175.10 175.26 3da9 s LEU 75 N -0.32 3.29 0.00 3.92 2.96 -0.04 -0.50 118.68 127.98 3da9 s LEU 75 Ca 0.05 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3da9 s LEU 75 Cb -0.08 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3da9 s LEU 75 CO -0.00 0.36 0.24 1.07 -1.32 0.00 0.00 176.35 176.70 3da9 n THR 76 N 2.23 0.00 -3.04 3.68 5.66 -0.21 -0.95 114.28 121.64 3da9 n THR 76 Ca -0.18 -0.65 -0.39 0.00 -3.05 0.00 0.00 64.05 59.78 3da9 n THR 76 Cb 0.53 0.44 -0.06 0.00 -1.55 0.00 0.00 70.33 69.70 3da9 n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3da9 s ALA 77 N -1.90 3.44 0.37 1.79 0.00 -1.26 -1.54 121.76 122.66 3da9 s ALA 77 Ca 0.11 0.25 0.11 0.00 0.00 0.00 0.00 51.96 52.42 3da9 s ALA 77 Cb -0.01 -2.91 0.88 0.00 0.00 0.00 0.00 23.12 21.08 3da9 s ALA 77 CO 0.08 0.20 1.86 0.00 0.00 0.00 0.00 175.76 177.89 3da9 h ALA 78 N 5.07 1.91 0.00 0.00 0.00 -1.69 -2.00 119.26 122.55 3da9 h ALA 78 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3da9 h ALA 78 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3da9 h ALA 78 CO 0.68 -0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.37 3da9 n HIS 79 N -4.57 0.57 0.22 0.00 1.44 -1.26 -0.65 115.22 110.97 3da9 n HIS 79 Ca 0.18 0.22 0.08 0.00 -2.01 0.00 0.00 57.72 56.20 3da9 n HIS 79 Cb 0.53 -0.86 0.49 0.00 0.12 0.00 0.00 29.99 30.27 3da9 n HIS 79 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3da9 n LEU 81 N -3.61 1.09 -3.67 0.00 4.77 0.17 -4.87 117.00 110.88 3da9 n LEU 81 Ca -0.01 -0.03 -0.23 0.00 -0.03 0.00 0.00 56.01 55.71 3da9 n LEU 81 Cb 0.39 -0.01 -0.17 0.00 -2.33 0.00 0.00 43.42 41.30 3da9 n LEU 81 CO 0.34 0.42 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.26 3da9 s LEU 82 N -5.11 0.37 -0.46 2.23 2.96 -0.20 -0.70 118.68 117.78 3da9 s LEU 82 Ca -0.09 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 3da9 s LEU 82 Cb 0.04 -0.26 0.18 0.00 0.50 0.00 0.00 46.19 46.64 3da9 s LEU 82 CO 0.37 -0.28 0.58 -0.47 -1.32 0.00 0.00 176.35 175.23 3da9 s TYR 83 N 2.10 -0.94 0.35 5.38 5.04 0.74 -4.12 117.35 125.91 3da9 s TYR 83 Ca 0.03 -0.77 0.12 0.00 -2.44 0.00 0.00 57.07 54.01 3da9 s TYR 83 Cb -0.14 -0.02 0.94 0.00 0.35 0.00 0.00 41.96 43.09 3da9 s TYR 83 CO -0.06 -1.13 1.78 -1.35 -1.34 0.00 0.00 175.55 173.45 3da9 h PRO 84 N 5.82 0.54 -0.32 4.97 0.11 -1.94 -0.90 132.00 140.29 3da9 h PRO 84 Ca 0.09 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.27 3da9 h PRO 84 Cb 1.08 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3da9 h PRO 84 CO 0.12 0.36 0.35 -1.35 -0.21 0.00 0.00 178.00 177.27 3da9 h PRO 85 N 0.56 0.00 -0.34 1.05 0.11 -1.92 -0.98 132.00 130.47 3da9 h PRO 85 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 3da9 h PRO 85 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3da9 h PRO 85 CO -0.34 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 178.36 3da9 n TRP 86 N -3.75 0.77 -3.83 0.65 8.01 -0.40 -4.97 117.44 113.93 3da9 n TRP 86 Ca 0.05 -0.67 -0.28 0.00 -1.31 0.00 0.00 57.50 55.29 3da9 n TRP 86 Cb 0.51 -0.17 0.04 0.00 -2.01 0.00 0.00 31.31 29.67 3da9 n TRP 86 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3da9 n ASP 87 N 0.14 -5.03 -4.54 -0.99 9.92 -0.37 -4.98 116.55 110.69 3da9 n ASP 87 Ca 0.17 -0.72 -0.36 0.00 -0.53 0.00 0.00 54.79 53.35 3da9 n ASP 87 Cb 0.67 -4.19 -0.11 0.00 -0.64 0.00 0.00 41.12 36.85 3da9 n ASP 87 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3da9 s LYS 88 N -6.51 3.83 -0.50 -1.24 2.20 -0.87 -4.99 119.74 111.66 3da9 s LYS 88 Ca 0.61 -0.39 0.07 0.00 -0.36 0.00 0.00 55.97 55.90 3da9 s LYS 88 Cb -0.30 -3.40 0.20 0.00 -1.51 0.00 0.00 37.83 32.83 3da9 s LYS 88 CO 0.80 -0.06 0.74 -1.71 -0.36 0.00 0.00 175.35 174.76 3da9 n ASN 89 N 4.59 -2.97 -4.77 1.43 2.85 -1.23 -0.19 115.26 114.96 3da9 n ASN 89 Ca -0.16 -2.98 -0.38 0.00 -0.11 0.00 0.00 54.58 50.95 3da9 n ASN 89 Cb 0.52 1.53 -0.05 0.00 1.24 0.00 0.00 39.78 43.02 3da9 n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3da9 s PHE 90 N 0.69 3.51 0.39 1.20 0.08 0.12 -5.02 117.98 118.95 3da9 s PHE 90 Ca 0.31 1.71 0.08 0.00 0.12 0.00 0.00 56.93 59.15 3da9 s PHE 90 Cb 0.07 -3.11 -0.01 0.00 -0.57 0.00 0.00 43.02 39.40 3da9 s PHE 90 CO -0.12 -0.33 0.44 0.95 -0.10 0.00 0.00 175.22 176.06 3da9 s THR 91 N -1.47 3.17 0.26 0.64 -4.23 -1.26 -4.92 115.64 107.82 3da9 s THR 91 Ca 0.51 -1.18 -0.08 0.00 -1.18 0.00 0.00 61.69 59.76 3da9 s THR 91 Cb -0.24 -3.10 0.35 0.00 1.34 0.00 0.00 72.50 70.85 3da9 s THR 91 CO 0.31 -0.06 1.60 -0.33 -0.54 0.00 0.00 174.62 175.60 3da9 h GLU 92 N 0.92 0.02 0.00 3.99 3.07 -1.93 -1.46 114.58 119.19 3da9 h GLU 92 Ca -0.42 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 3da9 h GLU 92 Cb 1.27 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3da9 h GLU 92 CO 0.53 0.01 0.00 0.09 -1.40 0.00 0.00 179.01 178.24 3da9 n ASN 93 N -5.50 0.33 0.17 1.42 5.03 -1.26 -2.61 115.26 112.84 3da9 n ASN 93 Ca 0.14 0.57 0.13 0.00 0.87 0.00 0.00 54.58 56.29 3da9 n ASN 93 Cb 0.48 -0.65 0.33 0.00 -1.02 0.00 0.00 39.78 38.92 3da9 n ASN 93 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 3da9 h ASP 94 N 0.00 0.00 -3.86 6.41 3.32 -1.66 -3.48 116.42 117.16 3da9 h ASP 94 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 3da9 h ASP 94 Cb 0.35 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.73 3da9 h ASP 94 CO 0.00 0.00 -0.77 -0.76 -1.72 0.00 0.00 179.24 175.99 3da9 s LEU 95 N -5.35 2.42 0.15 1.55 1.43 -1.07 -2.42 118.68 115.39 3da9 s LEU 95 Ca 0.08 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.43 3da9 s LEU 95 Cb 0.09 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 3da9 s LEU 95 CO 0.61 -0.11 -0.18 -0.76 0.23 0.00 0.00 176.35 176.13 3da9 s LEU 96 N -2.56 2.41 -0.12 1.79 1.43 0.02 -4.48 118.68 117.17 3da9 s LEU 96 Ca 0.12 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.36 3da9 s LEU 96 Cb -0.05 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 3da9 s LEU 96 CO 0.04 -0.02 -0.01 0.68 0.23 0.00 0.00 176.35 177.27 3da9 s VAL 97 N -1.91 4.17 -0.18 -1.59 -7.23 -0.41 -0.96 120.40 112.29 3da9 s VAL 97 Ca 0.14 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 3da9 s VAL 97 Cb -0.06 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.10 3da9 s VAL 97 CO 0.06 0.55 -0.17 -0.13 -0.31 0.00 0.00 175.10 175.10 3da9 s ARG 98 N -0.26 3.07 0.00 4.82 0.52 -0.23 -0.12 118.95 126.76 3da9 s ARG 98 Ca 0.05 -0.79 0.08 0.00 -0.52 0.00 0.00 55.73 54.56 3da9 s ARG 98 Cb -0.12 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 3da9 s ARG 98 CO 0.02 -0.19 -0.26 0.42 0.02 0.00 0.00 175.30 175.32 3da9 s ILE 99 N 1.28 2.05 0.00 1.52 1.01 0.27 -1.03 121.20 126.30 3da9 s ILE 99 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.49 3da9 s ILE 99 Cb -0.13 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3da9 s ILE 99 CO -0.10 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3da9 n GLY 100 N 2.20 0.73 3.88 6.18 0.00 -1.26 -0.32 105.19 116.59 3da9 n GLY 100 Ca -0.16 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 3da9 n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da9 s LYS 101 N -0.80 3.73 0.20 1.61 1.02 -1.26 -4.27 119.74 119.97 3da9 s LYS 101 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.50 3da9 s LYS 101 Cb 0.00 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 3da9 s LYS 101 CO 0.00 -0.17 0.00 1.58 -0.92 0.00 0.00 175.35 175.84 3da9 n HIS 102 N -1.72 -1.43 -1.90 3.18 -0.00 -1.26 -4.92 115.22 107.17 3da9 n HIS 102 Ca 0.03 0.25 -0.41 0.00 -0.00 0.00 0.00 57.72 57.59 3da9 n HIS 102 Cb 0.54 0.35 -0.02 0.00 -0.00 0.00 0.00 29.99 30.87 3da9 n HIS 102 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3da9 s SER 103 N -5.31 6.50 0.04 0.26 0.15 -1.26 -0.43 113.70 113.65 3da9 s SER 103 Ca 0.00 2.85 -0.26 0.00 0.70 0.00 0.00 55.95 59.24 3da9 s SER 103 Cb 0.00 -2.64 -0.17 0.00 -1.71 0.00 0.00 66.02 61.50 3da9 s SER 103 CO 0.00 -0.80 1.48 -0.09 1.20 0.00 0.00 173.24 175.04 3da9 h ARG 104 N 4.42 -0.30 0.00 5.44 2.43 -1.50 -3.39 114.38 121.48 3da9 h ARG 104 Ca -0.48 0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.52 3da9 h ARG 104 Cb 1.22 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 3da9 h ARG 104 CO 0.75 -0.06 -2.16 0.25 -1.51 0.00 0.00 179.97 177.23 3da9 n THR 105 N -5.14 0.74 -2.11 0.20 -2.24 -1.26 -4.98 114.28 99.48 3da9 n THR 105 Ca -0.09 -0.67 -0.38 0.00 -2.27 0.00 0.00 64.05 60.64 3da9 n THR 105 Cb 0.20 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 3da9 n THR 105 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3da9 s ARG 106 N -2.90 3.71 -0.50 -0.78 3.52 -1.26 -4.98 118.95 115.76 3da9 s ARG 106 Ca -0.09 1.97 -0.27 0.00 -0.13 0.00 0.00 55.73 57.22 3da9 s ARG 106 Cb 0.09 -2.49 0.03 0.00 -1.56 0.00 0.00 34.95 31.02 3da9 s ARG 106 CO 0.82 -0.64 1.03 -0.47 -0.81 0.00 0.00 175.30 175.23 3da9 s TYR 107 N -1.41 2.82 -1.27 5.12 5.04 -1.26 -4.90 117.35 121.48 3da9 s TYR 107 Ca 0.63 0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 55.51 3da9 s TYR 107 Cb -0.34 -4.20 0.13 0.00 0.35 0.00 0.00 41.96 37.91 3da9 s TYR 107 CO 0.41 -1.27 1.67 0.39 -1.34 0.00 0.00 175.55 175.41 3da9 n GLU 108 N 7.61 3.32 -1.70 4.97 1.02 -1.26 -4.97 120.64 129.63 3da9 n GLU 108 Ca 0.07 -3.52 -0.43 0.00 -0.02 0.00 0.00 57.16 53.26 3da9 n GLU 108 Cb 0.49 -3.17 -0.02 0.00 -0.02 0.00 0.00 31.44 28.72 3da9 n GLU 108 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3da9 n ARG 109 N 6.10 2.22 -0.89 3.49 0.63 -1.26 -1.12 116.66 125.84 3da9 n ARG 109 Ca 0.42 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 58.14 3da9 n ARG 109 Cb 0.42 -2.46 0.00 0.00 0.45 0.00 0.00 32.46 30.87 3da9 n ARG 109 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3da9 n ASN 110 N 1.80 -2.91 0.08 6.15 4.13 -1.26 -4.75 115.26 118.50 3da9 n ASN 110 Ca 0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 3da9 n ASN 110 Cb 0.34 -1.88 0.00 0.00 -1.54 0.00 0.00 39.78 36.70 3da9 n ASN 110 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3da9 n ILE 111 N -2.28 0.83 -2.23 2.41 5.41 -0.44 -5.07 119.36 117.98 3da9 n ILE 111 Ca 0.00 0.27 -0.33 0.00 1.00 0.00 0.00 62.75 63.70 3da9 n ILE 111 Cb 0.17 -1.25 -0.01 0.00 -0.71 0.00 0.00 39.64 37.85 3da9 n ILE 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3da9 s GLU 112 N -2.00 3.57 -0.05 0.38 -1.05 -0.27 -4.75 118.70 114.53 3da9 s GLU 112 Ca 0.00 1.18 0.06 0.00 -0.15 0.00 0.00 54.97 56.05 3da9 s GLU 112 Cb 0.00 -2.07 -0.01 0.00 -0.44 0.00 0.00 34.13 31.61 3da9 s GLU 112 CO 0.00 -0.60 -0.23 0.15 0.95 0.00 0.00 175.26 175.53 3da9 s LYS 113 N -3.90 2.29 -0.19 -4.83 -0.14 0.57 -4.90 119.74 108.64 3da9 s LYS 113 Ca 0.63 -0.82 -0.06 0.00 -1.36 0.00 0.00 55.97 54.36 3da9 s LYS 113 Cb -0.15 -1.97 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 3da9 s LYS 113 CO 0.32 0.35 0.03 0.42 -0.76 0.00 0.00 175.35 175.71 3da9 s ILE 114 N -0.14 4.32 0.13 2.17 1.01 -1.26 -0.56 121.20 126.87 3da9 s ILE 114 Ca -0.03 -0.19 0.10 0.00 0.00 0.00 0.00 60.65 60.53 3da9 s ILE 114 Cb -0.13 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3da9 s ILE 114 CO 0.03 0.44 -0.25 -0.44 0.00 0.00 0.00 174.94 174.72 3da9 s SER 115 N 0.73 3.11 0.10 3.58 0.01 0.82 -4.98 113.70 117.08 3da9 s SER 115 Ca 0.01 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.53 3da9 s SER 115 Cb -0.14 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 3da9 s SER 115 CO 0.02 0.13 0.25 -0.04 0.41 0.00 0.00 173.24 174.02 3da9 s MET 116 N -2.13 3.45 -0.12 12.44 -1.94 -1.26 -1.29 119.30 128.44 3da9 s MET 116 Ca 0.13 -0.49 -0.22 0.00 -1.71 0.00 0.00 55.69 53.40 3da9 s MET 116 Cb -0.10 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.72 3da9 s MET 116 CO 0.06 0.56 0.64 -0.51 -0.01 0.00 0.00 175.02 175.76 3da9 s LEU 117 N -2.85 4.25 -0.12 -0.03 1.43 -1.26 -1.00 118.68 119.10 3da9 s LEU 117 Ca 0.35 1.00 -0.21 0.00 -1.03 0.00 0.00 54.13 54.25 3da9 s LEU 117 Cb -0.12 -2.96 -0.18 0.00 0.03 0.00 0.00 46.19 42.96 3da9 s LEU 117 CO 0.28 -0.16 0.58 -0.08 0.23 0.00 0.00 176.35 177.20 3da9 h GLU 118 N 7.01 -0.01 -2.62 1.70 4.81 -0.81 -3.44 114.58 121.22 3da9 h GLU 118 Ca -0.37 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 3da9 h GLU 118 Cb 1.17 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.34 3da9 h GLU 118 CO 0.77 0.67 -0.13 0.21 -0.73 0.00 0.00 179.01 179.80 3da9 s LYS 119 N -2.16 0.70 -0.08 1.92 2.47 -1.11 -4.97 119.74 116.51 3da9 s LYS 119 Ca -0.13 0.28 -0.03 0.00 -1.56 0.00 0.00 55.97 54.53 3da9 s LYS 119 Cb -0.02 0.33 -0.04 0.00 -1.46 0.00 0.00 37.83 36.64 3da9 s LYS 119 CO 0.49 -0.16 0.05 0.42 0.16 0.00 0.00 175.35 176.31 3da9 s ILE 120 N -0.61 4.66 -0.17 5.43 1.01 -1.26 -0.63 121.20 129.62 3da9 s ILE 120 Ca -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3da9 s ILE 120 Cb -0.03 -3.01 0.05 0.00 0.01 0.00 0.00 42.46 39.48 3da9 s ILE 120 CO 0.04 0.56 -0.03 -0.31 0.00 0.00 0.00 174.94 175.20 3da9 s TYR 121 N -0.97 1.55 -0.11 3.97 1.51 0.69 -5.00 117.35 118.98 3da9 s TYR 121 Ca 0.15 -1.04 -0.06 0.00 -1.01 0.00 0.00 57.07 55.12 3da9 s TYR 121 Cb -0.12 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 3da9 s TYR 121 CO 0.05 -0.61 0.11 0.42 -1.11 0.00 0.00 175.55 174.40 3da9 s ILE 122 N 1.68 5.23 0.16 2.71 1.01 -1.26 -0.15 121.20 130.58 3da9 s ILE 122 Ca -0.00 0.10 -0.34 0.00 0.00 0.00 0.00 60.65 60.41 3da9 s ILE 122 Cb -0.16 -3.26 -0.15 0.00 0.01 0.00 0.00 42.46 38.90 3da9 s ILE 122 CO -0.07 0.61 1.46 1.57 0.00 0.00 0.00 174.94 178.51 3da9 n HIS 123 N 2.05 2.02 0.31 3.97 -0.00 -0.91 -4.83 115.22 117.82 3da9 n HIS 123 Ca -0.20 0.41 0.16 0.00 -0.00 0.00 0.00 57.72 58.09 3da9 n HIS 123 Cb 0.55 -2.46 0.70 0.00 -0.00 0.00 0.00 29.99 28.77 3da9 n HIS 123 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3da9 h PRO 124 N 5.13 0.00 -0.31 1.57 0.13 -1.94 -2.40 132.00 134.17 3da9 h PRO 124 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 3da9 h PRO 124 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3da9 h PRO 124 CO 0.83 0.00 0.01 0.54 -0.23 0.00 0.00 178.00 179.15 3da9 n ARG 125 N -2.75 2.99 -1.68 0.86 1.74 -1.26 -4.99 116.66 111.57 3da9 n ARG 125 Ca 0.00 -2.91 -0.46 0.00 -0.77 0.00 0.00 57.85 53.71 3da9 n ARG 125 Cb 0.22 -1.89 -0.04 0.00 -1.02 0.00 0.00 32.46 29.73 3da9 n ARG 125 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3da9 n TYR 126 N -0.48 2.40 -3.44 -1.55 9.36 -0.91 -4.71 117.16 117.83 3da9 n TYR 126 Ca 0.24 0.02 -0.43 0.00 3.32 0.00 0.00 57.90 61.05 3da9 n TYR 126 Cb 0.95 -2.65 -0.03 0.00 -0.63 0.00 0.00 39.34 36.98 3da9 n TYR 126 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3da9 s ASN 127 N 2.80 6.66 0.29 2.98 3.84 -0.05 -4.83 114.94 126.62 3da9 s ASN 127 Ca 0.86 -3.26 0.25 0.00 0.21 0.00 0.00 52.86 50.91 3da9 s ASN 127 Cb -0.62 -2.11 0.63 0.00 -0.55 0.00 0.00 41.25 38.60 3da9 s ASN 127 CO 0.43 -0.36 1.71 4.11 -2.79 0.00 0.00 177.10 180.20 3da9 h TRP 128 N 6.92 0.00 -0.08 0.43 5.08 -1.92 0.90 115.95 127.28 3da9 h TRP 128 Ca 0.13 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.92 3da9 h TRP 128 Cb 0.92 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 3da9 h TRP 128 CO 0.83 0.00 -0.71 0.00 -1.28 0.00 0.00 178.44 177.28 3da9 h ARG 129 N 0.00 0.39 0.00 0.12 3.08 -1.99 -3.44 114.38 112.54 3da9 h ARG 129 Ca 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3da9 h ARG 129 Cb 0.83 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3da9 h ARG 129 CO 0.00 0.95 -0.07 -1.91 -1.07 0.00 0.00 179.97 177.88 3da9 n GLU 130 N -3.84 0.03 -0.09 0.04 2.13 -1.25 -5.00 120.64 112.66 3da9 n GLU 130 Ca -0.04 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3da9 n GLU 130 Cb 0.70 -0.28 0.00 0.00 0.27 0.00 0.00 31.44 32.12 3da9 n GLU 130 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3da9 n ASN 131 N -2.84 0.25 -2.10 4.31 6.94 -1.23 -4.96 115.26 115.63 3da9 n ASN 131 Ca -0.01 -1.33 -0.20 0.00 -0.02 0.00 0.00 54.58 53.02 3da9 n ASN 131 Cb 0.03 -0.05 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 3da9 n ASN 131 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3da9 n LEU 132 N -0.09 -1.81 -4.75 -4.53 4.77 0.31 -4.96 117.00 105.95 3da9 n LEU 132 Ca 0.00 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 3da9 n LEU 132 Cb 0.52 -2.80 -0.00 0.00 -2.33 0.00 0.00 43.42 38.81 3da9 n LEU 132 CO 0.00 -0.38 1.05 -0.67 -1.33 0.00 0.00 177.39 176.07 3da9 n ASP 133 N -1.66 3.41 -3.68 -1.43 4.64 -1.23 -2.54 116.55 114.06 3da9 n ASP 133 Ca -0.23 1.21 -0.21 0.00 -1.38 0.00 0.00 54.79 54.18 3da9 n ASP 133 Cb 0.67 -1.57 0.04 0.00 -1.04 0.00 0.00 41.12 39.22 3da9 n ASP 133 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3da9 n ARG 134 N 0.43 -5.19 -2.38 -0.67 1.74 -1.26 -0.87 116.66 108.46 3da9 n ARG 134 Ca 0.03 0.65 -0.43 0.00 -0.77 0.00 0.00 57.85 57.33 3da9 n ARG 134 Cb 0.38 -5.29 0.00 0.00 -1.02 0.00 0.00 32.46 26.54 3da9 n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3da9 n ASP 135 N -3.05 4.68 -3.81 0.55 2.03 -1.05 -4.29 116.55 111.61 3da9 n ASP 135 Ca -0.28 -2.90 -0.12 0.00 0.52 0.00 0.00 54.79 52.01 3da9 n ASP 135 Cb 0.67 -1.73 -0.11 0.00 -0.72 0.00 0.00 41.12 39.23 3da9 n ASP 135 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3da9 s ILE 136 N 3.94 0.03 -0.08 5.18 2.07 -1.26 -3.64 121.20 127.43 3da9 s ILE 136 Ca 0.52 -0.22 -0.15 0.00 -1.41 0.00 0.00 60.65 59.40 3da9 s ILE 136 Cb 0.06 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 42.30 3da9 s ILE 136 CO 0.04 -0.12 0.37 0.00 -1.91 0.00 0.00 174.94 173.32 3da9 s ALA 137 N -0.40 -0.92 0.12 1.50 0.00 -0.59 -2.15 121.76 119.32 3da9 s ALA 137 Ca -0.05 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.72 3da9 s ALA 137 Cb -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3da9 s ALA 137 CO 0.01 -0.23 -0.04 -0.51 0.00 0.00 0.00 175.76 174.99 3da9 s LEU 138 N -0.59 3.26 -0.09 0.00 1.43 0.79 -1.04 118.68 122.44 3da9 s LEU 138 Ca -0.07 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3da9 s LEU 138 Cb -0.04 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.22 3da9 s LEU 138 CO 0.03 0.15 -0.05 -0.04 0.23 0.00 0.00 176.35 176.67 3da9 s MET 139 N -2.45 1.14 -0.07 1.70 -1.94 0.34 -0.22 119.30 117.81 3da9 s MET 139 Ca 0.25 -0.13 -0.20 0.00 -1.71 0.00 0.00 55.69 53.90 3da9 s MET 139 Cb -0.11 -1.27 -0.04 0.00 2.01 0.00 0.00 34.83 35.42 3da9 s MET 139 CO 0.17 -0.23 0.57 0.21 -0.01 0.00 0.00 175.02 175.73 3da9 s LYS 140 N 1.60 4.35 0.32 2.03 2.20 0.19 -1.12 119.74 129.30 3da9 s LYS 140 Ca 0.01 0.65 -0.14 0.00 -0.36 0.00 0.00 55.97 56.13 3da9 s LYS 140 Cb -0.13 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.70 3da9 s LYS 140 CO -0.05 0.20 0.72 -0.51 -0.36 0.00 0.00 175.35 175.35 3da9 s LEU 141 N 0.40 4.07 0.20 5.43 1.43 0.24 -0.19 118.68 130.25 3da9 s LEU 141 Ca 0.31 1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 54.55 3da9 s LEU 141 Cb -0.17 -4.05 0.13 0.00 0.03 0.00 0.00 46.19 42.14 3da9 s LEU 141 CO 0.15 -0.20 1.81 0.11 0.23 0.00 0.00 176.35 178.44 3da9 h LYS 142 N 2.26 1.02 -5.17 1.70 1.57 -1.36 -3.41 116.57 113.18 3da9 h LYS 142 Ca -0.48 -0.13 -0.38 0.00 -1.87 0.00 0.00 60.65 57.79 3da9 h LYS 142 Cb 1.17 -0.19 -0.21 0.00 0.08 0.00 0.00 32.23 33.08 3da9 h LYS 142 CO 0.66 0.77 -0.77 0.15 -0.57 0.00 0.00 179.45 179.69 3da9 s LYS 143 N -5.80 0.77 0.51 3.15 1.02 -1.26 -4.98 119.74 113.14 3da9 s LYS 143 Ca -0.13 -0.93 -0.22 0.00 0.02 0.00 0.00 55.97 54.71 3da9 s LYS 143 Cb 0.15 -0.71 -0.06 0.00 -0.52 0.00 0.00 37.83 36.69 3da9 s LYS 143 CO 0.80 0.15 1.29 -2.14 -0.92 0.00 0.00 175.35 174.53 3da9 s PRO 144 N -1.77 3.36 0.06 -1.68 0.02 -1.26 -4.85 135.00 128.88 3da9 s PRO 144 Ca -0.03 2.08 -0.17 0.00 0.02 0.00 0.00 61.00 62.90 3da9 s PRO 144 Cb -0.10 -2.32 -0.06 0.00 0.02 0.00 0.00 34.50 32.05 3da9 s PRO 144 CO 0.02 -0.96 0.51 0.54 -0.33 0.00 0.00 177.00 176.78 3da9 s VAL 145 N -1.39 4.85 0.01 3.83 0.11 -0.20 -5.02 120.40 122.60 3da9 s VAL 145 Ca 0.69 1.03 -0.27 0.00 -2.93 0.00 0.00 61.98 60.50 3da9 s VAL 145 Cb -0.36 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 3da9 s VAL 145 CO 0.43 0.52 0.85 0.00 -3.33 0.00 0.00 175.10 173.58 3da9 s ALA 146 N -1.14 3.28 0.52 1.54 0.00 -1.26 -4.80 121.76 119.89 3da9 s ALA 146 Ca 0.28 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.43 3da9 s ALA 146 Cb -0.18 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 3da9 s ALA 146 CO 0.17 -0.08 1.04 -0.06 0.00 0.00 0.00 175.76 176.83 3da9 s PHE 147 N 0.49 3.04 0.13 0.00 0.08 -1.26 -4.90 117.98 115.56 3da9 s PHE 147 Ca 0.44 1.55 -0.02 0.00 0.12 0.00 0.00 56.93 59.02 3da9 s PHE 147 Cb -0.20 -3.02 0.01 0.00 -0.57 0.00 0.00 43.02 39.23 3da9 s PHE 147 CO 0.24 -0.86 0.20 -1.13 -0.10 0.00 0.00 175.22 173.58 3da9 n SER 148 N -1.33 -0.57 0.27 1.36 3.41 -0.34 -4.96 113.62 111.45 3da9 n SER 148 Ca 0.09 -1.68 0.17 0.00 -0.26 0.00 0.00 58.87 57.18 3da9 n SER 148 Cb 0.53 1.04 0.91 0.00 -0.26 0.00 0.00 64.21 66.42 3da9 n SER 148 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3da9 h ASP 149 N 0.73 0.00 -0.01 4.04 3.45 -1.99 -3.04 116.42 119.61 3da9 h ASP 149 Ca -0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.35 3da9 h ASP 149 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3da9 h ASP 149 CO 0.14 0.00 -0.33 -1.22 -1.57 0.00 0.00 179.24 176.26 3da9 n TYR 150 N -3.73 0.00 -3.74 4.55 4.02 -1.26 -4.75 117.16 112.24 3da9 n TYR 150 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.63 3da9 n TYR 150 Cb 0.18 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.33 3da9 n TYR 150 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3da9 s ILE 151 N -1.67 0.40 -0.28 -0.72 1.01 -1.15 -4.09 121.20 114.70 3da9 s ILE 151 Ca 0.08 -0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.30 3da9 s ILE 151 Cb 0.09 -0.75 0.11 0.00 0.01 0.00 0.00 42.46 41.92 3da9 s ILE 151 CO 0.34 0.01 0.91 -2.28 0.00 0.00 0.00 174.94 173.93 3da9 s HIS 152 N 1.94 -0.61 0.50 3.97 2.46 -0.80 -1.20 115.29 121.53 3da9 s HIS 152 Ca 0.02 1.45 -0.19 0.00 0.47 0.00 0.00 55.06 56.81 3da9 s HIS 152 Cb -0.15 0.35 -0.08 0.00 -0.13 0.00 0.00 32.58 32.57 3da9 s HIS 152 CO -0.07 -0.30 1.00 -1.25 -2.47 0.00 0.00 174.74 171.66 3da9 s PRO 153 N 0.46 3.89 0.36 2.88 0.04 -1.26 -2.33 135.00 139.03 3da9 s PRO 153 Ca 0.00 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.15 3da9 s PRO 153 Cb -0.05 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3da9 s PRO 153 CO -0.06 -0.33 0.60 0.54 0.04 0.00 0.00 177.00 177.80 3da9 s VAL 154 N -2.32 5.03 0.39 -0.36 0.11 -0.69 -4.89 120.40 117.66 3da9 s VAL 154 Ca 0.62 -0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 59.40 3da9 s VAL 154 Cb -0.12 -3.81 -0.09 0.00 -1.53 0.00 0.00 36.38 30.83 3da9 s VAL 154 CO 0.24 -0.53 0.82 0.00 -3.33 0.00 0.00 175.10 172.30 3da9 s LEU 156 N -3.36 4.25 0.45 0.00 1.43 -1.26 -0.74 118.68 119.45 3da9 s LEU 156 Ca 0.56 0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 53.83 3da9 s LEU 156 Cb -0.10 -2.11 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 3da9 s LEU 156 CO 0.21 0.38 1.10 -2.16 0.23 0.00 0.00 176.35 176.11 3da9 s PRO 157 N -1.16 3.88 0.61 1.29 0.04 -1.26 -4.94 135.00 133.45 3da9 s PRO 157 Ca 0.17 1.59 0.09 0.00 0.04 0.00 0.00 61.00 62.89 3da9 s PRO 157 Cb -0.12 -2.37 0.10 0.00 0.04 0.00 0.00 34.50 32.16 3da9 s PRO 157 CO 0.06 -0.41 0.84 0.16 0.04 0.00 0.00 177.00 177.69 3da9 s ASP 158 N -1.58 4.97 0.25 6.66 1.47 -1.26 -4.82 116.67 122.36 3da9 s ASP 158 Ca 0.63 -0.89 -0.04 0.00 1.18 0.00 0.00 52.55 53.43 3da9 s ASP 158 Cb -0.24 0.43 0.40 0.00 -0.34 0.00 0.00 42.92 43.17 3da9 s ASP 158 CO 0.29 -1.46 1.81 -0.09 0.68 0.00 0.00 175.17 176.40 3da9 h ARG 159 N 0.06 0.78 -0.36 2.11 2.43 -1.98 -1.15 114.38 116.28 3da9 h ARG 159 Ca -0.29 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.76 3da9 h ARG 159 Cb 1.29 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3da9 h ARG 159 CO 0.40 0.52 -0.08 0.93 -1.51 0.00 0.00 179.97 180.22 3da9 h GLU 160 N 0.80 0.68 -0.10 0.20 3.07 -1.99 -0.92 114.58 116.33 3da9 h GLU 160 Ca 0.40 -0.26 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 3da9 h GLU 160 Cb 0.36 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 3da9 h GLU 160 CO -0.24 0.84 -0.08 1.15 -1.40 0.00 0.00 179.01 179.27 3da9 h THR 161 N 0.47 0.76 -0.30 1.13 2.02 -1.77 -1.49 112.91 113.75 3da9 h THR 161 Ca 0.09 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.30 3da9 h THR 161 Cb 0.58 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3da9 h THR 161 CO 0.03 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.05 3da9 h ALA 162 N 0.99 0.35 -0.68 6.16 0.00 -1.05 -2.17 119.26 122.85 3da9 h ALA 162 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3da9 h ALA 162 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3da9 h ALA 162 CO -0.16 -0.27 0.35 0.00 0.00 0.00 0.00 179.25 179.18 3da9 h ALA 163 N 1.17 0.88 -0.05 0.00 0.00 -0.87 -0.82 119.26 119.57 3da9 h ALA 163 Ca 0.13 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3da9 h ALA 163 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3da9 h ALA 163 CO -0.11 0.41 -0.78 0.66 0.00 0.00 0.00 179.25 179.43 3da9 h SER 164 N 0.94 0.44 0.00 0.00 4.64 -1.14 -3.37 113.55 115.05 3da9 h SER 164 Ca 0.24 -0.31 -0.32 0.00 -0.47 0.00 0.00 61.79 60.93 3da9 h SER 164 Cb 0.07 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 3da9 h SER 164 CO -0.03 1.06 -2.29 0.18 -0.87 0.00 0.00 176.83 174.87 3da9 n LEU 165 N -3.79 0.00 -3.89 5.97 4.77 -0.83 -4.69 117.00 114.54 3da9 n LEU 165 Ca -0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 3da9 n LEU 165 Cb 0.74 0.44 0.00 0.00 -2.33 0.00 0.00 43.42 42.27 3da9 n LEU 165 CO 0.48 0.44 2.36 0.18 -1.33 0.00 0.00 177.39 179.52 3da9 n LEU 166 N -2.68 6.53 -4.11 2.23 4.77 -0.32 -4.81 117.00 118.61 3da9 n LEU 166 Ca -0.29 -4.27 -0.22 0.00 -0.03 0.00 0.00 56.01 51.20 3da9 n LEU 166 Cb 1.08 -1.62 -0.15 0.00 -2.33 0.00 0.00 43.42 40.40 3da9 n LEU 166 CO 0.41 1.06 -0.47 -1.10 -1.33 0.00 0.00 177.39 175.96 3da9 s GLN 167 N 2.48 1.13 0.19 3.23 -0.21 -1.26 -4.94 119.66 120.28 3da9 s GLN 167 Ca 0.46 -0.50 -0.33 0.00 0.02 0.00 0.00 55.36 55.00 3da9 s GLN 167 Cb 0.11 -1.10 -0.14 0.00 1.00 0.00 0.00 33.01 32.88 3da9 s GLN 167 CO -0.04 0.30 1.39 0.00 -2.12 0.00 0.00 175.29 174.81 3da9 n ALA 168 N 2.73 0.51 0.00 6.09 0.00 -1.26 -1.42 120.51 127.16 3da9 n ALA 168 Ca -0.14 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3da9 n ALA 168 Cb 0.55 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3da9 n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3da9 n GLY 169 N 2.45 3.01 3.75 0.00 0.00 0.39 -4.95 105.19 109.84 3da9 n GLY 169 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3da9 n GLY 169 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3da9 s TYR 170 N -2.25 3.16 -0.04 1.61 1.51 -0.51 -4.61 117.35 116.23 3da9 s TYR 170 Ca 0.00 1.21 -0.08 0.00 -1.01 0.00 0.00 57.07 57.19 3da9 s TYR 170 Cb 0.00 -3.67 -0.05 0.00 -0.11 0.00 0.00 41.96 38.13 3da9 s TYR 170 CO 0.00 -2.07 0.26 0.15 -1.11 0.00 0.00 175.55 172.78 3da9 s LYS 171 N -0.51 3.60 0.34 -0.62 1.02 -1.26 -0.52 119.74 121.80 3da9 s LYS 171 Ca 0.56 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.56 3da9 s LYS 171 Cb -0.38 -3.14 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3da9 s LYS 171 CO 0.42 0.70 0.01 0.41 -0.92 0.00 0.00 175.35 175.98 3da9 n GLY 172 N 1.54 3.73 3.09 -3.33 0.00 -0.19 -4.84 105.19 105.19 3da9 n GLY 172 Ca -0.15 -2.29 -0.25 0.00 0.00 0.00 0.00 46.02 43.34 3da9 n GLY 172 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3da9 s ARG 173 N -3.23 1.74 -0.02 1.61 3.52 0.67 -0.71 118.95 122.53 3da9 s ARG 173 Ca 0.02 -0.52 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 3da9 s ARG 173 Cb 0.00 -1.47 -0.02 0.00 -1.56 0.00 0.00 34.95 31.90 3da9 s ARG 173 CO 0.01 0.15 -0.24 0.08 -0.81 0.00 0.00 175.30 174.49 3da9 s VAL 174 N 0.30 1.92 0.05 7.11 1.01 0.16 -0.67 120.40 130.28 3da9 s VAL 174 Ca -0.09 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.89 3da9 s VAL 174 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3da9 s VAL 174 CO 0.03 0.54 -0.10 0.42 0.00 0.00 0.00 175.10 175.99 3da9 s THR 175 N -0.52 0.78 0.00 3.92 -4.23 -1.24 -1.35 115.64 112.99 3da9 s THR 175 Ca 0.08 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 3da9 s THR 175 Cb -0.10 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 72.96 3da9 s THR 175 CO -0.00 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 3da9 n GLY 176 N 1.57 -0.42 1.12 3.99 0.00 -0.76 -4.54 105.19 106.15 3da9 n GLY 176 Ca -0.21 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 44.81 3da9 n GLY 176 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3da9 n TRP 177 N -0.22 1.18 -1.71 1.61 8.01 -1.26 -1.39 117.44 123.66 3da9 n TRP 177 Ca 0.00 -1.23 -0.30 0.00 -1.31 0.00 0.00 57.50 54.66 3da9 n TRP 177 Cb 0.00 -0.44 0.21 0.00 -2.01 0.00 0.00 31.31 29.08 3da9 n TRP 177 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3da9 s GLY 178 N -2.10 1.75 0.41 6.99 0.00 -1.26 -4.64 107.32 108.47 3da9 s GLY 178 Ca 0.45 -1.23 -0.24 0.00 0.00 0.00 0.00 44.72 43.69 3da9 s GLY 178 CO 0.06 -0.38 0.96 0.70 0.00 0.00 0.00 173.10 174.43 3da9 n ASN 179 N -4.11 1.04 0.09 1.64 3.02 -0.11 -2.90 115.26 113.94 3da9 n ASN 179 Ca 0.16 1.03 0.13 0.00 -0.03 0.00 0.00 54.58 55.87 3da9 n ASN 179 Cb 0.59 -1.32 0.38 0.00 -0.61 0.00 0.00 39.78 38.82 3da9 n ASN 179 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3da9 n LEU 180 N 0.65 0.75 -3.78 3.41 4.77 0.26 -0.86 117.00 122.20 3da9 n LEU 180 Ca 0.10 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.47 3da9 n LEU 180 Cb 0.38 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 3da9 n LEU 180 CO 0.57 -0.15 -0.00 -0.54 -1.33 0.00 0.00 177.39 175.94 3da9 s LYS 181 N -3.10 0.69 0.10 3.23 1.02 -1.26 -4.28 119.74 116.14 3da9 s LYS 181 Ca 0.10 -0.33 -0.22 0.00 0.02 0.00 0.00 55.97 55.55 3da9 s LYS 181 Cb 0.13 0.30 -0.11 0.00 -0.52 0.00 0.00 37.83 37.64 3da9 s LYS 181 CO 0.61 -0.20 1.73 1.49 -0.92 0.00 0.00 175.35 178.07 3da9 h GLU 182 N 3.70 0.03 -1.81 1.68 4.81 -1.90 -3.47 114.58 117.61 3da9 h GLU 182 Ca -0.30 -0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.47 3da9 h GLU 182 Cb 1.18 -0.01 -0.40 0.00 0.63 0.00 0.00 28.75 30.16 3da9 h GLU 182 CO 0.42 0.02 -1.20 0.25 -0.73 0.00 0.00 179.01 177.78 3da9 n THR 183 N -5.10 0.04 0.16 0.32 -2.24 -1.26 -4.99 114.28 101.20 3da9 n THR 183 Ca -0.05 -4.30 0.00 0.00 -2.27 0.00 0.00 64.05 57.42 3da9 n THR 183 Cb 0.06 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3da9 n THR 183 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3da9 n GLY 185 N 0.22 -1.10 3.71 3.38 0.00 -1.26 -5.11 105.19 105.04 3da9 n GLY 185 Ca 0.22 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 3da9 n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3da9 s GLN 186 N -2.00 2.94 0.47 1.61 -1.52 -1.26 -0.57 119.66 119.33 3da9 s GLN 186 Ca 0.00 -0.50 -0.17 0.00 -1.95 0.00 0.00 55.36 52.75 3da9 s GLN 186 Cb 0.00 -2.77 -0.08 0.00 -0.22 0.00 0.00 33.01 29.93 3da9 s GLN 186 CO 0.00 0.66 0.94 -1.25 -0.25 0.00 0.00 175.29 175.39 3da9 s PRO 187 N -1.36 4.00 0.13 2.91 0.04 -1.26 -4.93 135.00 134.52 3da9 s PRO 187 Ca 0.18 0.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.14 3da9 s PRO 187 Cb -0.12 -2.19 -0.13 0.00 0.04 0.00 0.00 34.50 32.11 3da9 s PRO 187 CO 0.08 -0.17 1.28 0.66 0.04 0.00 0.00 177.00 178.89 3da9 h SER 188 N 1.24 0.34 -3.77 6.66 4.64 -1.98 -3.43 113.55 117.25 3da9 h SER 188 Ca -0.47 -0.31 -0.40 0.00 -0.47 0.00 0.00 61.79 60.14 3da9 h SER 188 Cb 1.18 -0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 63.02 3da9 h SER 188 CO 0.62 1.16 -0.65 0.68 -0.87 0.00 0.00 176.83 177.76 3da9 s VAL 189 N -3.01 1.07 0.21 0.95 -7.23 -1.26 -1.39 120.40 109.74 3da9 s VAL 189 Ca -0.03 -2.03 -0.32 0.00 -1.81 0.00 0.00 61.98 57.79 3da9 s VAL 189 Cb 0.09 -2.42 -0.15 0.00 0.56 0.00 0.00 36.38 34.46 3da9 s VAL 189 CO 0.85 -0.27 1.17 -0.11 -0.31 0.00 0.00 175.10 176.43 3da9 n LEU 190 N -0.46 1.80 -4.73 1.32 7.94 0.43 -4.82 117.00 118.47 3da9 n LEU 190 Ca -0.04 1.15 -0.28 0.00 -1.11 0.00 0.00 56.01 55.73 3da9 n LEU 190 Cb 0.64 -1.26 -0.07 0.00 0.53 0.00 0.00 43.42 43.26 3da9 n LEU 190 CO 0.38 -1.21 -0.28 -1.10 -1.11 0.00 0.00 177.39 174.06 3da9 s GLN 191 N -0.61 2.67 0.02 1.96 -1.52 -0.48 -0.40 119.66 121.30 3da9 s GLN 191 Ca 0.70 -0.91 0.03 0.00 -1.95 0.00 0.00 55.36 53.22 3da9 s GLN 191 Cb -0.79 -2.55 -0.02 0.00 -0.22 0.00 0.00 33.01 29.43 3da9 s GLN 191 CO 0.53 0.50 -0.09 0.54 -0.25 0.00 0.00 175.29 176.53 3da9 s VAL 192 N -1.59 0.65 -0.15 1.09 0.11 0.63 -1.83 120.40 119.30 3da9 s VAL 192 Ca 0.28 -0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 58.44 3da9 s VAL 192 Cb -0.10 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 34.16 3da9 s VAL 192 CO 0.21 -0.10 0.41 0.54 -3.33 0.00 0.00 175.10 172.83 3da9 s VAL 193 N -0.79 0.00 -0.19 2.04 0.11 -0.46 -1.08 120.40 120.04 3da9 s VAL 193 Ca -0.03 -0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 3da9 s VAL 193 Cb -0.07 -0.58 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 3da9 s VAL 193 CO 0.00 -0.00 0.12 0.20 -3.33 0.00 0.00 175.10 172.08 3da9 s ASN 194 N 0.18 6.10 -0.01 3.54 0.01 -1.26 -0.66 114.94 122.84 3da9 s ASN 194 Ca -0.00 0.23 0.01 0.00 -0.71 0.00 0.00 52.86 52.38 3da9 s ASN 194 Cb -0.03 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.58 3da9 s ASN 194 CO 0.01 0.21 -0.01 -0.76 -1.51 0.00 0.00 177.10 175.03 3da9 s LEU 195 N 0.18 1.84 0.28 0.60 1.43 0.11 -4.97 118.68 118.16 3da9 s LEU 195 Ca 0.08 -0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.87 3da9 s LEU 195 Cb -0.11 -0.11 -0.09 0.00 0.03 0.00 0.00 46.19 45.90 3da9 s LEU 195 CO -0.01 -0.00 0.95 -2.16 0.23 0.00 0.00 176.35 175.36 3da9 s PRO 196 N 0.15 4.73 0.34 1.29 0.04 -1.26 -1.02 135.00 139.28 3da9 s PRO 196 Ca -0.01 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 3da9 s PRO 196 Cb -0.03 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 3da9 s PRO 196 CO -0.00 0.41 1.32 0.42 0.04 0.00 0.00 177.00 179.19 3da9 s ILE 197 N -1.37 2.65 -0.05 0.56 1.01 0.32 -1.06 121.20 123.26 3da9 s ILE 197 Ca 0.45 0.66 -0.01 0.00 0.00 0.00 0.00 60.65 61.75 3da9 s ILE 197 Cb -0.23 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3da9 s ILE 197 CO 0.29 0.16 0.02 -0.69 0.00 0.00 0.00 174.94 174.72 3da9 s VAL 198 N -1.14 4.43 0.29 2.92 1.01 -0.23 -0.46 120.40 127.21 3da9 s VAL 198 Ca 0.49 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 3da9 s VAL 198 Cb -0.40 -2.92 -0.14 0.00 0.00 0.00 0.00 36.38 32.92 3da9 s VAL 198 CO 0.54 0.51 1.15 -0.62 0.00 0.00 0.00 175.10 176.68 3da9 n GLU 199 N 1.79 1.64 -0.24 2.72 4.71 -1.26 -4.64 120.64 125.36 3da9 n GLU 199 Ca -0.17 0.58 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 3da9 n GLU 199 Cb 0.53 -2.05 0.22 0.00 -1.01 0.00 0.00 31.44 29.14 3da9 n GLU 199 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3da9 h ARG 200 N 2.51 1.04 -0.78 3.49 3.08 -1.97 -2.07 114.38 119.68 3da9 h ARG 200 Ca -0.42 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3da9 h ARG 200 Cb 1.32 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 3da9 h ARG 200 CO 0.64 0.69 0.43 -1.35 -1.07 0.00 0.00 179.97 179.31 3da9 h PRO 201 N 1.07 1.07 -0.33 0.04 0.11 -2.00 -1.31 132.00 130.66 3da9 h PRO 201 Ca 0.29 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3da9 h PRO 201 Cb -0.11 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.77 3da9 h PRO 201 CO -0.06 0.78 0.08 0.28 -0.21 0.00 0.00 178.00 178.87 3da9 h VAL 202 N 1.08 1.22 -0.21 3.15 2.07 -1.78 -1.00 116.25 120.78 3da9 h VAL 202 Ca 0.27 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 67.10 3da9 h VAL 202 Cb 0.02 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3da9 h VAL 202 CO -0.04 0.25 -0.13 0.00 0.02 0.00 0.00 177.57 177.67 3da9 h LYS 204 N -0.11 1.04 0.00 0.00 1.57 -1.07 -2.48 116.57 115.51 3da9 h LYS 204 Ca 0.12 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3da9 h LYS 204 Cb 0.29 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3da9 h LYS 204 CO -0.28 0.77 0.00 -0.25 -0.57 0.00 0.00 179.45 179.12 3da9 n ASP 205 N -4.35 0.00 -0.06 0.86 10.43 -0.39 -3.02 116.55 120.02 3da9 n ASP 205 Ca 0.07 0.31 0.12 0.00 2.57 0.00 0.00 54.79 57.87 3da9 n ASP 205 Cb 0.11 -0.43 0.22 0.00 1.84 0.00 0.00 41.12 42.86 3da9 n ASP 205 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3da9 n SER 206 N -1.43 0.70 -3.93 -2.24 3.41 -0.93 -4.98 113.62 104.21 3da9 n SER 206 Ca 0.08 -0.49 -0.09 0.00 -0.26 0.00 0.00 58.87 58.11 3da9 n SER 206 Cb 0.27 0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 3da9 n SER 206 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3da9 s THR 207 N -2.89 0.13 -0.94 6.66 -1.32 -1.17 -4.80 115.64 111.33 3da9 s THR 207 Ca 0.13 -1.11 0.23 0.00 -1.21 0.00 0.00 61.69 59.74 3da9 s THR 207 Cb 0.18 -0.89 -0.09 0.00 -1.51 0.00 0.00 72.50 70.19 3da9 s THR 207 CO 0.68 -0.61 1.19 0.54 -2.21 0.00 0.00 174.62 174.21 3da9 n ARG 208 N 0.77 0.05 -2.29 7.08 1.74 -1.26 -4.92 116.66 117.83 3da9 n ARG 208 Ca -0.19 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.50 3da9 n ARG 208 Cb 0.58 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 3da9 n ARG 208 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3da9 s ILE 209 N -3.03 3.12 -0.28 0.55 -1.09 -1.26 -4.98 121.20 114.23 3da9 s ILE 209 Ca 0.09 1.02 -0.29 0.00 -2.23 0.00 0.00 60.65 59.24 3da9 s ILE 209 Cb 0.16 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.43 3da9 s ILE 209 CO 0.77 0.16 1.40 -0.60 -1.23 0.00 0.00 174.94 175.45 3da9 s ARG 210 N -2.01 3.87 0.26 2.79 3.52 -1.26 -5.01 118.95 121.11 3da9 s ARG 210 Ca 0.53 1.37 -0.22 0.00 -0.13 0.00 0.00 55.73 57.28 3da9 s ARG 210 Cb -0.33 -3.93 -0.09 0.00 -1.56 0.00 0.00 34.95 29.04 3da9 s ARG 210 CO 0.42 -1.18 0.81 0.42 -0.81 0.00 0.00 175.30 174.96 3da9 s ILE 211 N 4.65 4.42 0.42 4.11 -1.09 -1.26 -4.88 121.20 127.57 3da9 s ILE 211 Ca 0.61 1.51 0.04 0.00 -2.23 0.00 0.00 60.65 60.59 3da9 s ILE 211 Cb -0.19 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3da9 s ILE 211 CO 0.25 0.19 0.03 0.42 -1.23 0.00 0.00 174.94 174.60 3da9 s THR 212 N -1.55 1.47 -0.59 2.92 -4.23 -1.26 -5.02 115.64 107.39 3da9 s THR 212 Ca 0.46 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.17 3da9 s THR 212 Cb -0.18 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 71.20 3da9 s THR 212 CO 0.22 0.00 1.63 0.47 -0.54 0.00 0.00 174.62 176.41 3da9 n ASP 213 N -1.02 0.50 -0.89 3.99 8.00 -1.26 -2.20 116.55 123.67 3da9 n ASP 213 Ca -0.08 0.63 0.04 0.00 0.71 0.00 0.00 54.79 56.10 3da9 n ASP 213 Cb 0.67 -0.73 0.17 0.00 -0.02 0.00 0.00 41.12 41.21 3da9 n ASP 213 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3da9 n ASN 214 N -2.06 2.53 -4.06 -2.24 3.02 -1.26 -4.86 115.26 106.34 3da9 n ASN 214 Ca 0.02 -2.21 -0.13 0.00 -0.03 0.00 0.00 54.58 52.23 3da9 n ASN 214 Cb 0.20 -0.40 -0.11 0.00 -0.61 0.00 0.00 39.78 38.85 3da9 n ASN 214 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3da9 s MET 215 N -1.68 0.52 0.08 3.52 -1.94 -0.93 -0.91 119.30 117.95 3da9 s MET 215 Ca 0.25 -0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 53.46 3da9 s MET 215 Cb 0.16 -0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.71 3da9 s MET 215 CO 0.12 0.04 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.57 3da9 s PHE 216 N -1.45 0.68 0.25 -0.03 -0.12 -0.51 -4.83 117.98 111.97 3da9 s PHE 216 Ca -0.10 -1.11 0.12 0.00 -0.05 0.00 0.00 56.93 55.79 3da9 s PHE 216 Cb -0.10 -0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 41.81 3da9 s PHE 216 CO 0.00 -0.40 -0.21 0.00 -0.05 0.00 0.00 175.22 174.57 3da9 s ALA 218 N -2.19 -0.30 0.00 0.00 0.00 -0.26 -1.07 121.76 117.94 3da9 s ALA 218 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3da9 s ALA 218 Cb -0.06 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.30 3da9 s ALA 218 CO 0.13 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3da9 n GLY 219 N 0.82 3.68 3.85 0.00 0.00 -0.23 -1.87 105.19 111.44 3da9 n GLY 219 Ca -0.19 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 3da9 n GLY 219 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3da9 s TYR 220 N -2.00 3.42 0.62 1.61 1.51 -1.26 -4.51 117.35 116.74 3da9 s TYR 220 Ca 0.00 1.21 -0.10 0.00 -1.01 0.00 0.00 57.07 57.17 3da9 s TYR 220 Cb 0.00 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.30 3da9 s TYR 220 CO 0.00 0.15 1.01 0.15 -1.11 0.00 0.00 175.55 175.75 3da9 s LYS 221 N -2.80 3.48 0.25 -0.62 1.02 -1.26 -4.82 119.74 114.99 3da9 s LYS 221 Ca 0.52 0.64 -0.02 0.00 0.02 0.00 0.00 55.97 57.12 3da9 s LYS 221 Cb -0.11 -2.10 0.48 0.00 -0.52 0.00 0.00 37.83 35.57 3da9 s LYS 221 CO 0.18 -0.60 1.78 -1.35 -0.92 0.00 0.00 175.35 174.44 3da9 h PRO 222 N -0.31 0.65 0.00 -1.68 0.11 -1.96 -2.18 132.00 126.63 3da9 h PRO 222 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3da9 h PRO 222 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3da9 h PRO 222 CO 0.62 0.43 0.00 0.38 -0.21 0.00 0.00 178.00 179.22 3da9 h ASP 223 N 0.67 0.00 1.48 -2.05 2.03 -1.97 -3.11 116.42 113.46 3da9 h ASP 223 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 3da9 h ASP 223 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 3da9 h ASP 223 CO -0.32 0.00 0.00 -0.33 -1.03 0.00 0.00 179.24 177.56 3da9 h GLU 224 N 0.00 0.00 0.00 4.15 5.08 -1.77 -3.47 114.58 118.57 3da9 h GLU 224 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3da9 h GLU 224 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3da9 h GLU 224 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3da9 n GLY 225 N 1.19 0.96 3.80 -3.84 0.00 -1.18 -4.95 105.19 101.17 3da9 n GLY 225 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3da9 n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da9 s LYS 226 N 0.00 3.48 0.29 1.61 1.02 -1.26 -5.07 119.74 119.81 3da9 s LYS 226 Ca 0.00 1.23 0.01 0.00 0.02 0.00 0.00 55.97 57.24 3da9 s LYS 226 Cb 0.00 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 3da9 s LYS 226 CO 0.00 -0.68 0.05 0.54 -0.92 0.00 0.00 175.35 174.34 3da9 n ARG 227 N -1.73 0.94 0.00 1.68 1.74 -1.26 -4.68 116.66 113.35 3da9 n ARG 227 Ca 0.09 -2.27 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 3da9 n ARG 227 Cb 0.53 0.94 0.00 0.00 -1.02 0.00 0.00 32.46 32.91 3da9 n ARG 227 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3da9 n GLY 228 N 0.70 4.26 3.54 -0.13 0.00 -1.26 -4.90 105.19 107.40 3da9 n GLY 228 Ca -0.08 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 3da9 n GLY 228 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3da9 s ASP 229 N 0.00 -0.33 0.65 1.61 3.68 -1.04 -4.67 116.67 116.57 3da9 s ASP 229 Ca 0.00 -0.06 -0.11 0.00 2.13 0.00 0.00 52.55 54.51 3da9 s ASP 229 Cb 0.00 0.39 -0.02 0.00 -1.45 0.00 0.00 42.92 41.84 3da9 s ASP 229 CO 0.00 -0.65 1.04 0.00 0.13 0.00 0.00 175.17 175.69 3da9 s ALA 230 N -3.12 2.92 0.30 3.66 0.00 -1.26 -0.47 121.76 123.79 3da9 s ALA 230 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.03 3da9 s ALA 230 Cb -0.01 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 3da9 s ALA 230 CO -0.07 -0.89 0.38 0.00 0.00 0.00 0.00 175.76 175.18 3da9 n GLU 232 N -0.52 0.83 0.00 0.00 2.13 -1.26 -1.02 120.64 120.79 3da9 n GLU 232 Ca 0.02 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.15 3da9 n GLU 232 Cb 0.52 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.30 3da9 n GLU 232 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3da9 n GLY 233 N 3.76 1.30 0.07 8.31 0.00 -1.26 -0.93 105.19 116.44 3da9 n GLY 233 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.40 3da9 n GLY 233 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3da9 n ASP 234 N 0.00 0.69 -4.56 1.61 10.43 -0.19 -3.48 116.55 121.05 3da9 n ASP 234 Ca 0.00 0.19 -0.45 0.00 2.57 0.00 0.00 54.79 57.10 3da9 n ASP 234 Cb 0.00 -0.03 -0.02 0.00 1.84 0.00 0.00 41.12 42.91 3da9 n ASP 234 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3da9 n SER 235 N -2.09 0.87 0.00 -2.24 7.64 -1.26 -1.70 113.62 114.85 3da9 n SER 235 Ca 0.04 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3da9 n SER 235 Cb 0.43 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 3da9 n SER 235 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3da9 n GLY 236 N 1.36 2.10 3.81 0.23 0.00 -0.22 -0.52 105.19 111.94 3da9 n GLY 236 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3da9 n GLY 236 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3da9 s GLY 237 N -1.96 1.64 0.24 -0.02 0.00 -0.69 -3.16 107.32 103.38 3da9 s GLY 237 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 44.72 44.45 3da9 s GLY 237 CO 0.00 0.31 0.77 2.56 0.00 0.00 0.00 173.10 176.73 3da9 s PRO 238 N -5.10 4.33 -0.34 2.90 0.04 -1.26 -0.52 135.00 135.04 3da9 s PRO 238 Ca 0.59 0.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.50 3da9 s PRO 238 Cb -0.14 -2.89 0.01 0.00 0.04 0.00 0.00 34.50 31.52 3da9 s PRO 238 CO 0.55 0.38 0.18 0.12 0.04 0.00 0.00 177.00 178.27 3da9 s PHE 239 N -1.52 3.21 0.18 0.56 5.36 0.27 -3.65 117.98 122.40 3da9 s PHE 239 Ca 0.44 -0.77 0.10 0.00 -0.96 0.00 0.00 56.93 55.73 3da9 s PHE 239 Cb -0.17 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.06 3da9 s PHE 239 CO 0.22 -0.56 -0.14 0.14 -1.46 0.00 0.00 175.22 173.42 3da9 s VAL 240 N 1.58 2.91 0.03 3.12 -7.23 0.16 -0.57 120.40 120.40 3da9 s VAL 240 Ca 0.03 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 3da9 s VAL 240 Cb -0.18 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 3da9 s VAL 240 CO 0.06 -0.11 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.64 3da9 s MET 241 N -2.76 0.49 -0.38 4.82 -1.94 -0.18 -0.24 119.30 119.12 3da9 s MET 241 Ca 0.23 -0.56 -0.14 0.00 -1.71 0.00 0.00 55.69 53.52 3da9 s MET 241 Cb -0.09 -0.34 0.00 0.00 2.01 0.00 0.00 34.83 36.42 3da9 s MET 241 CO 0.13 0.07 0.29 0.21 -0.01 0.00 0.00 175.02 175.71 3da9 s LYS 242 N -1.06 3.23 0.19 2.03 2.20 -1.26 -0.40 119.74 124.67 3da9 s LYS 242 Ca -0.06 -0.81 -0.32 0.00 -0.36 0.00 0.00 55.97 54.42 3da9 s LYS 242 Cb -0.07 -3.90 -0.12 0.00 -1.51 0.00 0.00 37.83 32.24 3da9 s LYS 242 CO 0.00 -0.61 1.76 0.45 -0.36 0.00 0.00 175.35 176.58 3da9 s SER 243 N 1.71 6.38 0.00 1.43 0.15 -0.43 -4.86 113.70 118.08 3da9 s SER 243 Ca 0.06 2.85 0.30 0.00 0.70 0.00 0.00 55.95 59.86 3da9 s SER 243 Cb -0.18 -2.59 1.55 0.00 -1.71 0.00 0.00 66.02 63.09 3da9 s SER 243 CO 0.11 -0.99 2.06 -0.81 1.20 0.00 0.00 173.24 174.81 3da9 n PRO 244 N 4.42 0.48 -0.03 5.44 -0.04 -1.26 -0.76 135.00 143.25 3da9 n PRO 244 Ca 0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 3da9 n PRO 244 Cb 0.36 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 3da9 n PRO 244 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3da9 h PHE 245 N 0.00 0.29 0.00 0.54 0.04 -1.97 -3.41 116.94 112.43 3da9 h PHE 245 Ca 0.00 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.56 3da9 h PHE 245 Cb 0.26 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3da9 h PHE 245 CO 0.00 1.50 0.00 0.27 -0.60 0.00 0.00 178.31 179.48 3da9 n ASN 246 N -4.09 1.33 -2.34 2.17 0.23 -1.25 -5.01 115.26 106.29 3da9 n ASN 246 Ca -0.26 -1.44 -0.18 0.00 -0.53 0.00 0.00 54.58 52.18 3da9 n ASN 246 Cb 0.81 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.50 3da9 n ASN 246 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3da9 n ASN 247 N -0.22 -5.20 -4.70 0.53 4.13 0.06 -4.99 115.26 104.88 3da9 n ASN 247 Ca 0.00 0.09 -0.30 0.00 1.68 0.00 0.00 54.58 56.04 3da9 n ASN 247 Cb 0.15 -4.37 -0.08 0.00 -1.54 0.00 0.00 39.78 33.94 3da9 n ASN 247 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3da9 s ARG 248 N -4.92 2.59 -0.05 3.52 0.52 -1.25 -4.84 118.95 114.52 3da9 s ARG 248 Ca 0.00 -0.82 -0.24 0.00 -0.52 0.00 0.00 55.73 54.16 3da9 s ARG 248 Cb 0.00 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 3da9 s ARG 248 CO 0.00 0.54 0.71 -1.58 0.02 0.00 0.00 175.30 174.99 3da9 s TRP 249 N -1.32 3.60 -0.05 -0.53 0.52 -1.26 -1.31 118.94 118.59 3da9 s TRP 249 Ca 0.26 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.71 3da9 s TRP 249 Cb -0.12 -2.80 -0.02 0.00 -1.15 0.00 0.00 33.47 29.38 3da9 s TRP 249 CO 0.19 0.13 -0.17 0.71 0.02 0.00 0.00 176.95 177.83 3da9 s TYR 250 N 0.63 2.64 -0.49 -1.98 2.02 0.47 -1.94 117.35 118.70 3da9 s TYR 250 Ca 0.37 -0.26 -0.23 0.00 -0.37 0.00 0.00 57.07 56.58 3da9 s TYR 250 Cb -0.18 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.79 3da9 s TYR 250 CO 0.19 0.11 0.84 -1.14 -1.57 0.00 0.00 175.55 173.97 3da9 s GLN 251 N -0.62 3.37 -0.03 -0.62 0.74 0.08 -1.01 119.66 121.57 3da9 s GLN 251 Ca 0.09 -0.18 0.18 0.00 0.05 0.00 0.00 55.36 55.50 3da9 s GLN 251 Cb -0.11 -3.98 -0.21 0.00 1.10 0.00 0.00 33.01 29.81 3da9 s GLN 251 CO 0.01 -1.25 0.54 -1.33 -0.55 0.00 0.00 175.29 172.71 3da9 n MET 252 N 6.96 0.65 -3.96 1.67 2.81 0.26 -4.31 117.12 121.20 3da9 n MET 252 Ca 0.02 0.08 -0.08 0.00 -1.81 0.00 0.00 57.70 55.91 3da9 n MET 252 Cb 0.48 -1.67 -0.08 0.00 -0.71 0.00 0.00 33.22 31.23 3da9 n MET 252 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3da9 s GLY 253 N -4.95 0.25 -0.08 3.03 0.00 -0.72 -1.62 107.32 103.23 3da9 s GLY 253 Ca -0.06 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 43.85 3da9 s GLY 253 CO 0.84 -1.01 -0.23 -0.42 0.00 0.00 0.00 173.10 172.27 3da9 s ILE 254 N -3.83 1.98 -0.05 0.90 1.01 -0.78 -0.56 121.20 119.86 3da9 s ILE 254 Ca 0.05 -0.99 -0.32 0.00 0.00 0.00 0.00 60.65 59.39 3da9 s ILE 254 Cb 0.06 -1.70 -0.10 0.00 0.01 0.00 0.00 42.46 40.73 3da9 s ILE 254 CO -0.10 0.55 1.97 0.52 0.00 0.00 0.00 174.94 177.87 3da9 n VAL 255 N 3.29 0.64 0.01 2.92 0.31 0.32 -0.73 118.33 125.09 3da9 n VAL 255 Ca -0.19 -0.16 -0.01 0.00 -0.01 0.00 0.00 64.34 63.98 3da9 n VAL 255 Cb 0.53 -2.14 -0.00 0.00 -0.91 0.00 0.00 33.84 31.32 3da9 n VAL 255 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3da9 n SER 256 N 7.62 0.60 -3.89 4.52 2.88 -0.72 -1.06 113.62 123.56 3da9 n SER 256 Ca 0.23 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.76 3da9 n SER 256 Cb 0.36 -0.24 -0.05 0.00 -0.75 0.00 0.00 64.21 63.53 3da9 n SER 256 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3da9 s TRP 257 N -1.55 0.18 0.21 0.66 1.48 -0.86 -4.93 118.94 114.15 3da9 s TRP 257 Ca -0.02 -0.54 -0.12 0.00 -1.06 0.00 0.00 56.10 54.35 3da9 s TRP 257 Cb 0.00 0.22 0.05 0.00 -1.16 0.00 0.00 33.47 32.58 3da9 s TRP 257 CO 0.03 -0.91 0.62 0.41 -4.06 0.00 0.00 176.95 173.04 3da9 n GLY 258 N -0.33 1.10 2.74 3.67 0.00 -1.26 -0.34 105.19 110.76 3da9 n GLY 258 Ca -0.06 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 3da9 n GLY 258 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3da9 s GLU 259 N -2.05 0.74 2.46 1.61 2.12 -1.26 -5.02 118.70 117.29 3da9 s GLU 259 Ca 0.13 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 54.44 3da9 s GLU 259 Cb -0.03 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.34 3da9 s GLU 259 CO 0.06 -0.95 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 3da9 n GLY 260 N 4.86 -0.42 2.76 -1.50 0.00 -1.26 -4.71 105.19 104.92 3da9 n GLY 260 Ca -0.03 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 3da9 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3da9 n ASP 262 N 4.91 -6.06 -4.74 0.00 2.03 -1.26 -4.60 116.55 106.84 3da9 n ASP 262 Ca -0.12 -0.27 -0.41 0.00 0.52 0.00 0.00 54.79 54.52 3da9 n ASP 262 Cb 0.50 -4.91 -0.05 0.00 -0.72 0.00 0.00 41.12 35.95 3da9 n ASP 262 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3da9 s ARG 263 N -5.66 4.70 0.26 -0.67 0.52 -1.26 -4.93 118.95 111.90 3da9 s ARG 263 Ca 0.28 1.39 -0.31 0.00 -0.52 0.00 0.00 55.73 56.58 3da9 s ARG 263 Cb -0.13 -3.35 -0.13 0.00 0.52 0.00 0.00 34.95 31.87 3da9 s ARG 263 CO 0.35 0.30 1.50 -0.25 0.02 0.00 0.00 175.30 177.22 3da9 n ASP 264 N 2.47 3.26 0.00 0.23 9.92 -1.26 -2.08 116.55 129.09 3da9 n ASP 264 Ca 0.00 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 3da9 n ASP 264 Cb 0.49 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 3da9 n ASP 264 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3da9 n GLY 265 N 2.25 1.95 3.75 0.44 0.00 -1.26 -5.02 105.19 107.30 3da9 n GLY 265 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3da9 n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da9 s LYS 266 N -0.14 2.58 0.12 1.61 -0.14 -0.88 -4.72 119.74 118.17 3da9 s LYS 266 Ca 0.00 -1.31 0.02 0.00 -1.36 0.00 0.00 55.97 53.32 3da9 s LYS 266 Cb 0.00 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 3da9 s LYS 266 CO 0.00 0.28 -0.06 0.71 -0.76 0.00 0.00 175.35 175.52 3da9 s TYR 267 N -2.28 1.02 0.14 3.18 1.51 -1.26 -4.75 117.35 114.90 3da9 s TYR 267 Ca 0.35 -0.91 -0.15 0.00 -1.01 0.00 0.00 57.07 55.35 3da9 s TYR 267 Cb -0.06 -0.57 -0.07 0.00 -0.11 0.00 0.00 41.96 41.15 3da9 s TYR 267 CO 0.23 -0.12 0.55 0.20 -1.11 0.00 0.00 175.55 175.30 3da9 s GLY 268 N -3.09 2.48 -0.03 0.71 0.00 -0.78 -4.48 107.32 102.13 3da9 s GLY 268 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.79 3da9 s GLY 268 CO -0.02 0.19 -0.10 -1.36 0.00 0.00 0.00 173.10 171.81 3da9 s PHE 269 N -1.43 2.82 0.01 1.90 0.40 0.53 -1.10 117.98 121.11 3da9 s PHE 269 Ca 0.37 -0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.67 3da9 s PHE 269 Cb -0.15 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 3da9 s PHE 269 CO 0.19 0.30 -0.14 0.71 0.70 0.00 0.00 175.22 176.98 3da9 s TYR 270 N -0.86 1.27 0.15 0.36 1.51 0.40 -1.75 117.35 118.42 3da9 s TYR 270 Ca 0.14 -0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.61 3da9 s TYR 270 Cb -0.11 -0.80 -0.10 0.00 -0.11 0.00 0.00 41.96 40.85 3da9 s TYR 270 CO 0.04 -0.00 1.55 0.99 -1.11 0.00 0.00 175.55 177.01 3da9 s THR 271 N -0.49 2.76 -0.74 -0.71 2.01 0.09 -1.42 115.64 117.14 3da9 s THR 271 Ca 0.04 0.53 -0.26 0.00 0.31 0.00 0.00 61.69 62.31 3da9 s THR 271 Cb -0.06 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.15 3da9 s THR 271 CO 0.00 0.04 1.25 -2.28 -0.69 0.00 0.00 174.62 172.93 3da9 s HIS 272 N 1.26 2.34 0.16 4.92 2.46 -0.09 -1.86 115.29 124.48 3da9 s HIS 272 Ca 0.69 -0.14 -0.14 0.00 0.47 0.00 0.00 55.06 55.94 3da9 s HIS 272 Cb -0.42 -4.59 0.05 0.00 -0.13 0.00 0.00 32.58 27.48 3da9 s HIS 272 CO 0.31 -2.02 1.74 0.28 -2.47 0.00 0.00 174.74 172.58 3da9 h VAL 273 N 6.05 1.20 -0.69 0.89 2.07 -1.60 -2.51 116.25 121.65 3da9 h VAL 273 Ca -0.26 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3da9 h VAL 273 Cb 1.05 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3da9 h VAL 273 CO 1.27 0.22 0.32 0.15 0.02 0.00 0.00 177.57 179.56 3da9 h PHE 274 N 0.69 0.99 0.00 1.57 3.57 -1.86 -0.86 116.94 121.03 3da9 h PHE 274 Ca 0.18 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3da9 h PHE 274 Cb 0.13 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3da9 h PHE 274 CO -0.00 0.73 -0.00 0.00 -2.23 0.00 0.00 178.31 176.80 3da9 h ARG 275 N 0.98 0.00 -0.37 1.11 2.47 -1.82 -2.33 114.38 114.42 3da9 h ARG 275 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 3da9 h ARG 275 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 3da9 h ARG 275 CO -0.03 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.78 3da9 n LEU 276 N -3.61 2.99 0.21 3.04 4.77 -0.37 -4.68 117.00 119.34 3da9 n LEU 276 Ca -0.03 -1.91 0.05 0.00 -0.03 0.00 0.00 56.01 54.09 3da9 n LEU 276 Cb 0.08 -0.24 0.48 0.00 -2.33 0.00 0.00 43.42 41.40 3da9 n LEU 276 CO 0.25 0.73 0.88 0.50 -1.33 0.00 0.00 177.39 178.43 3da9 h LYS 277 N 2.37 0.02 -0.51 3.23 3.64 -0.88 -2.02 116.57 122.41 3da9 h LYS 277 Ca 0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3da9 h LYS 277 Cb 0.75 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 3da9 h LYS 277 CO 0.00 0.22 0.33 0.87 -2.27 0.00 0.00 179.45 178.60 3da9 h LYS 278 N 0.02 0.66 -0.31 1.90 1.57 -1.83 0.97 116.57 119.55 3da9 h LYS 278 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3da9 h LYS 278 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3da9 h LYS 278 CO 0.03 0.44 0.14 2.35 -0.57 0.00 0.00 179.45 181.83 3da9 h TRP 279 N 0.68 0.45 -0.35 -1.35 7.01 -1.78 -1.10 115.95 119.50 3da9 h TRP 279 Ca 0.19 -0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.23 3da9 h TRP 279 Cb -0.06 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 26.80 3da9 h TRP 279 CO -0.04 0.41 -0.04 0.82 -2.79 0.00 0.00 178.44 176.80 3da9 h ILE 280 N 0.36 0.70 -0.56 2.65 2.04 -1.00 -1.13 117.51 120.57 3da9 h ILE 280 Ca 0.10 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 3da9 h ILE 280 Cb 0.14 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3da9 h ILE 280 CO -0.01 0.01 0.01 -0.61 0.00 0.00 0.00 178.15 177.55 3da9 h GLN 281 N 0.05 0.97 -0.38 2.37 5.75 -0.73 -1.44 115.11 121.70 3da9 h GLN 281 Ca 0.17 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.40 3da9 h GLN 281 Cb 0.25 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 3da9 h GLN 281 CO -0.32 0.97 0.17 -0.22 -2.65 0.00 0.00 178.83 176.78 3da9 h LYS 282 N 0.86 0.35 -0.27 1.69 3.64 -0.79 0.39 116.57 122.44 3da9 h LYS 282 Ca 0.16 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3da9 h LYS 282 Cb 0.52 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3da9 h LYS 282 CO 0.03 0.23 0.10 0.28 -2.27 0.00 0.00 179.45 177.81 3da9 h VAL 283 N 0.36 1.19 -0.47 2.00 2.07 -0.98 -0.77 116.25 119.63 3da9 h VAL 283 Ca 0.17 -0.58 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 3da9 h VAL 283 Cb 0.10 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3da9 h VAL 283 CO -0.13 0.19 -0.22 0.40 0.02 0.00 0.00 177.57 177.83 3da9 h ILE 284 N 0.28 1.27 -0.65 4.57 2.04 -0.97 -0.23 117.51 123.82 3da9 h ILE 284 Ca 0.09 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 3da9 h ILE 284 Cb 0.21 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3da9 h ILE 284 CO -0.01 0.47 0.31 0.44 0.00 0.00 0.00 178.15 179.37 3da9 h ASP 285 N 0.83 0.86 -0.19 1.72 3.45 -0.08 0.12 116.42 123.13 3da9 h ASP 285 Ca 0.11 -0.13 -0.18 0.00 0.43 0.00 0.00 57.03 57.25 3da9 h ASP 285 Cb 0.79 -0.22 0.01 0.00 -0.56 0.00 0.00 39.33 39.34 3da9 h ASP 285 CO 0.07 0.75 -0.58 -0.61 -1.57 0.00 0.00 179.24 177.29 3da9 h GLN 286 N 0.91 0.73 -0.00 3.56 4.15 -1.02 -3.38 115.11 120.05 3da9 h GLN 286 Ca 0.22 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3da9 h GLN 286 Cb 0.12 0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3da9 h GLN 286 CO -0.03 1.15 -0.25 1.19 -1.93 0.00 0.00 178.83 178.96 3da9 n PHE 287 N -4.08 0.00 1.58 3.99 3.72 -0.11 -5.10 117.46 117.47 3da9 n PHE 287 Ca -0.06 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.48 3da9 n PHE 287 Cb 0.64 0.00 0.60 0.00 -0.94 0.00 0.00 39.48 39.78 3da9 n PHE 287 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12