#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dv6 s VAL 2 N 0.00 3.26 -0.01 6.31 1.01 -1.26 -3.89 120.40 125.82 3dv6 s VAL 2 Ca 0.00 0.88 0.02 0.00 0.00 0.00 0.00 61.98 62.88 3dv6 s VAL 2 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3dv6 s VAL 2 CO 0.00 0.06 -0.05 -0.54 0.00 0.00 0.00 175.10 174.57 3dv6 s LYS 3 N 1.30 0.50 -0.06 2.72 1.02 -0.42 -4.98 119.74 119.81 3dv6 s LYS 3 Ca 0.65 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.49 3dv6 s LYS 3 Cb -0.37 -0.50 0.01 0.00 -0.52 0.00 0.00 37.83 36.45 3dv6 s LYS 3 CO 0.30 0.08 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.19 3dv6 s LEU 4 N 0.06 1.61 -0.19 3.17 1.43 -1.26 -2.28 118.68 121.22 3dv6 s LEU 4 Ca -0.00 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3dv6 s LEU 4 Cb -0.04 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 45.43 3dv6 s LEU 4 CO -0.00 0.02 -0.04 -0.69 0.23 0.00 0.00 176.35 175.87 3dv6 s VAL 5 N 0.71 1.12 0.38 -1.59 1.01 -0.00 -3.89 120.40 118.14 3dv6 s VAL 5 Ca -0.14 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 3dv6 s VAL 5 Cb -0.16 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 34.74 3dv6 s VAL 5 CO 0.03 0.00 0.88 -1.61 0.00 0.00 0.00 175.10 174.41 3dv6 s GLU 6 N 1.61 4.21 0.28 2.72 8.01 -1.26 -1.32 118.70 132.95 3dv6 s GLU 6 Ca -0.01 1.01 -0.18 0.00 0.01 0.00 0.00 54.97 55.80 3dv6 s GLU 6 Cb -0.17 -2.34 0.02 0.00 -4.31 0.00 0.00 34.13 27.33 3dv6 s GLU 6 CO -0.07 0.07 0.65 -1.54 0.01 0.00 0.00 175.26 174.38 3dv6 s SER 7 N -2.13 -0.17 0.00 -0.19 1.04 0.07 -4.72 113.70 107.61 3dv6 s SER 7 Ca 0.58 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3dv6 s SER 7 Cb -0.11 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3dv6 s SER 7 CO 0.16 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.67 3dv6 n GLY 8 N -0.45 0.53 3.73 7.32 0.00 -1.26 -0.32 105.19 114.74 3dv6 n GLY 8 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3dv6 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dv6 s GLY 9 N -1.49 2.03 0.00 -0.02 0.00 -1.26 -4.82 107.32 101.76 3dv6 s GLY 9 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.35 3dv6 s GLY 9 CO 0.00 1.02 0.00 0.61 0.00 0.00 0.00 173.10 174.73 3dv6 n GLY 10 N -0.13 -0.49 3.66 0.20 0.00 -0.70 -4.95 105.19 102.78 3dv6 n GLY 10 Ca 0.12 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 3dv6 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dv6 s LEU 11 N 0.00 4.15 0.01 0.99 2.96 -1.26 -1.26 118.68 124.27 3dv6 s LEU 11 Ca 0.00 0.61 0.07 0.00 -0.22 0.00 0.00 54.13 54.58 3dv6 s LEU 11 Cb 0.00 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 3dv6 s LEU 11 CO 0.00 -0.14 -0.20 0.68 -1.32 0.00 0.00 176.35 175.37 3dv6 s VAL 12 N 1.51 1.59 0.19 1.68 -7.23 -0.27 -4.98 120.40 112.90 3dv6 s VAL 12 Ca 0.22 -0.99 -0.18 0.00 -1.81 0.00 0.00 61.98 59.22 3dv6 s VAL 12 Cb -0.15 -1.35 -0.08 0.00 0.56 0.00 0.00 36.38 35.36 3dv6 s VAL 12 CO 0.09 0.33 0.67 0.00 -0.31 0.00 0.00 175.10 175.88 3dv6 s GLN 13 N -0.77 4.17 0.09 4.82 1.03 -1.26 -0.27 119.66 127.47 3dv6 s GLN 13 Ca 0.07 0.75 -0.35 0.00 0.04 0.00 0.00 55.36 55.87 3dv6 s GLN 13 Cb -0.08 -2.91 -0.14 0.00 0.03 0.00 0.00 33.01 29.91 3dv6 s GLN 13 CO 0.00 0.43 1.57 -2.30 -2.54 0.00 0.00 175.29 172.45 3dv6 n PRO 14 N 0.78 1.87 0.00 9.60 -0.02 -1.26 -1.31 135.00 144.66 3dv6 n PRO 14 Ca -0.03 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3dv6 n PRO 14 Cb 0.51 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3dv6 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dv6 n GLY 15 N 3.36 2.74 0.00 -1.23 0.00 0.48 -4.94 105.19 105.61 3dv6 n GLY 15 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3dv6 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dv6 n GLY 16 N -1.76 -0.84 3.19 -0.02 0.00 -0.42 -3.66 105.19 101.67 3dv6 n GLY 16 Ca 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 3dv6 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dv6 s SER 17 N -1.00 1.51 -0.17 1.61 0.01 -1.26 -1.45 113.70 112.95 3dv6 s SER 17 Ca 0.00 -0.86 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 3dv6 s SER 17 Cb 0.00 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.29 3dv6 s SER 17 CO 0.00 -0.28 0.41 -0.22 0.41 0.00 0.00 173.24 173.56 3dv6 s LEU 18 N -2.61 0.08 -0.25 2.44 2.96 -0.76 -4.99 118.68 115.56 3dv6 s LEU 18 Ca 0.08 0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 54.78 3dv6 s LEU 18 Cb -0.01 1.38 -0.04 0.00 0.50 0.00 0.00 46.19 48.02 3dv6 s LEU 18 CO -0.00 -0.18 0.11 -0.60 -1.32 0.00 0.00 176.35 174.36 3dv6 s ARG 19 N 0.98 3.80 0.08 1.98 3.52 -1.26 -1.15 118.95 126.90 3dv6 s ARG 19 Ca -0.06 -0.41 -0.06 0.00 -0.13 0.00 0.00 55.73 55.07 3dv6 s ARG 19 Cb -0.06 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 3dv6 s ARG 19 CO -0.08 -0.12 0.34 -0.51 -0.81 0.00 0.00 175.30 174.12 3dv6 s LEU 20 N 1.48 4.32 0.16 -0.88 1.02 0.93 -4.65 118.68 121.06 3dv6 s LEU 20 Ca 0.06 0.61 0.09 0.00 0.02 0.00 0.00 54.13 54.92 3dv6 s LEU 20 Cb -0.15 -3.02 -0.04 0.00 0.02 0.00 0.00 46.19 43.00 3dv6 s LEU 20 CO 0.06 0.15 -0.16 -0.44 0.02 0.00 0.00 176.35 175.98 3dv6 s SER 21 N -2.05 3.94 -0.31 2.29 0.01 0.56 -1.09 113.70 117.04 3dv6 s SER 21 Ca 0.35 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 56.96 3dv6 s SER 21 Cb -0.13 -0.56 0.12 0.00 0.21 0.00 0.00 66.02 65.66 3dv6 s SER 21 CO 0.21 0.14 0.19 0.00 0.41 0.00 0.00 173.24 174.18 3dv6 s ALA 23 N 1.81 3.36 0.24 0.00 0.00 -0.43 -0.09 121.76 126.64 3dv6 s ALA 23 Ca 0.12 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.54 3dv6 s ALA 23 Cb -0.18 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 3dv6 s ALA 23 CO -0.24 0.12 -0.05 0.95 0.00 0.00 0.00 175.76 176.54 3dv6 s THR 24 N -0.45 1.33 0.03 0.00 -4.23 -0.78 -0.82 115.64 110.72 3dv6 s THR 24 Ca 0.40 -2.08 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 3dv6 s THR 24 Cb -0.22 -2.30 0.10 0.00 1.34 0.00 0.00 72.50 71.42 3dv6 s THR 24 CO 0.26 -0.39 1.17 -0.94 -0.54 0.00 0.00 174.62 174.19 3dv6 s SER 25 N -3.34 -0.11 0.00 3.99 1.04 -0.96 -4.88 113.70 109.44 3dv6 s SER 25 Ca 0.27 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3dv6 s SER 25 Cb 0.04 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3dv6 s SER 25 CO 0.09 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3dv6 n GLY 26 N -0.46 1.00 3.46 7.32 0.00 -1.25 -1.30 105.19 113.95 3dv6 n GLY 26 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 3dv6 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dv6 s PHE 27 N -2.84 -0.17 -0.59 1.61 -0.71 -1.26 -4.36 117.98 109.67 3dv6 s PHE 27 Ca 0.00 -0.16 -0.27 0.00 -1.04 0.00 0.00 56.93 55.46 3dv6 s PHE 27 Cb 0.00 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 42.17 3dv6 s PHE 27 CO 0.00 -0.85 1.70 0.99 -1.34 0.00 0.00 175.22 175.72 3dv6 s THR 28 N -3.85 3.49 0.15 -4.49 2.01 -1.26 -4.88 115.64 106.82 3dv6 s THR 28 Ca 0.07 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.20 3dv6 s THR 28 Cb -0.00 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 68.42 3dv6 s THR 28 CO -0.06 -1.03 1.64 0.15 -0.69 0.00 0.00 174.62 174.63 3dv6 h PHE 29 N 13.42 -0.53 0.00 4.92 3.57 -1.97 -2.36 116.94 134.00 3dv6 h PHE 29 Ca -0.27 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3dv6 h PHE 29 Cb 1.14 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.15 3dv6 h PHE 29 CO 1.04 -0.28 0.00 1.79 -2.23 0.00 0.00 178.31 178.63 3dv6 h THR 30 N -0.19 0.00 0.00 4.41 1.35 -1.93 -2.02 112.91 114.54 3dv6 h THR 30 Ca 0.15 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3dv6 h THR 30 Cb 0.42 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3dv6 h THR 30 CO -0.39 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.35 3dv6 n ASP 31 N -2.40 0.30 -4.41 5.36 8.00 -0.89 -0.72 116.55 121.79 3dv6 n ASP 31 Ca -0.00 0.54 -0.28 0.00 0.71 0.00 0.00 54.79 55.75 3dv6 n ASP 31 Cb 0.12 -0.61 -0.12 0.00 -0.02 0.00 0.00 41.12 40.48 3dv6 n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dv6 s TYR 32 N -3.05 2.32 0.85 1.24 2.02 -0.76 -4.81 117.35 115.16 3dv6 s TYR 32 Ca 0.11 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.34 3dv6 s TYR 32 Cb 0.15 -1.20 0.10 0.00 -0.40 0.00 0.00 41.96 40.61 3dv6 s TYR 32 CO 0.51 0.42 1.09 0.71 -1.57 0.00 0.00 175.55 176.71 3dv6 s TYR 33 N -1.36 2.42 -0.03 2.71 1.51 -0.47 -3.92 117.35 118.21 3dv6 s TYR 33 Ca 0.17 1.35 0.03 0.00 -1.01 0.00 0.00 57.07 57.61 3dv6 s TYR 33 Cb -0.09 -3.12 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 3dv6 s TYR 33 CO 0.08 -2.17 -0.11 -1.64 -1.11 0.00 0.00 175.55 170.60 3dv6 s MET 34 N -4.93 1.19 0.17 -0.62 -1.94 -0.50 -1.46 119.30 111.21 3dv6 s MET 34 Ca 0.63 -0.36 0.08 0.00 -1.71 0.00 0.00 55.69 54.33 3dv6 s MET 34 Cb -0.18 -1.07 -0.04 0.00 2.01 0.00 0.00 34.83 35.55 3dv6 s MET 34 CO 0.57 0.11 -0.05 -1.12 -0.01 0.00 0.00 175.02 174.52 3dv6 s SER 35 N 0.28 4.54 -0.13 3.03 0.01 0.33 -0.86 113.70 120.89 3dv6 s SER 35 Ca -0.05 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 3dv6 s SER 35 Cb -0.10 -0.89 -0.02 0.00 0.21 0.00 0.00 66.02 65.21 3dv6 s SER 35 CO 0.01 0.11 -0.08 0.26 0.41 0.00 0.00 173.24 173.95 3dv6 s TRP 36 N -1.65 2.93 0.04 2.43 0.52 -0.26 -0.90 118.94 122.05 3dv6 s TRP 36 Ca 0.26 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 56.05 3dv6 s TRP 36 Cb -0.09 -1.88 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 3dv6 s TRP 36 CO 0.17 -0.06 -0.17 0.08 0.02 0.00 0.00 176.95 176.99 3dv6 s VAL 37 N 0.20 1.38 0.30 4.03 1.01 0.69 -0.59 120.40 127.42 3dv6 s VAL 37 Ca -0.05 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 60.89 3dv6 s VAL 37 Cb -0.14 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 3dv6 s VAL 37 CO 0.04 0.10 0.02 0.00 0.00 0.00 0.00 175.10 175.26 3dv6 s ARG 38 N -1.15 1.58 -0.28 2.72 1.70 -0.30 0.86 118.95 124.08 3dv6 s ARG 38 Ca 0.04 -1.85 0.02 0.00 -0.47 0.00 0.00 55.73 53.47 3dv6 s ARG 38 Cb -0.08 -0.89 0.17 0.00 -0.57 0.00 0.00 34.95 33.58 3dv6 s ARG 38 CO 0.01 -0.13 0.47 -1.14 -1.08 0.00 0.00 175.30 173.44 3dv6 s GLN 39 N -3.85 0.46 0.65 3.89 0.74 0.21 -0.14 119.66 121.63 3dv6 s GLN 39 Ca 0.34 0.41 -0.17 0.00 0.05 0.00 0.00 55.36 55.98 3dv6 s GLN 39 Cb 0.07 -0.09 -0.01 0.00 1.10 0.00 0.00 33.01 34.09 3dv6 s GLN 39 CO 0.14 -0.93 1.24 -2.14 -0.55 0.00 0.00 175.29 173.05 3dv6 s PRO 40 N 2.65 2.58 0.10 1.67 0.02 -1.26 -1.40 135.00 139.36 3dv6 s PRO 40 Ca 0.12 1.90 -0.36 0.00 0.02 0.00 0.00 61.00 62.68 3dv6 s PRO 40 Cb -0.13 -1.87 -0.15 0.00 0.02 0.00 0.00 34.50 32.37 3dv6 s PRO 40 CO -0.26 -1.53 1.47 -0.35 -0.33 0.00 0.00 177.00 176.00 3dv6 n PRO 41 N -2.03 1.60 -0.53 5.54 -0.04 -1.26 -1.24 135.00 137.04 3dv6 n PRO 41 Ca 0.14 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 3dv6 n PRO 41 Cb 0.49 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3dv6 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dv6 n GLY 42 N 3.02 1.75 3.81 0.55 0.00 -1.26 -5.00 105.19 108.05 3dv6 n GLY 42 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3dv6 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dv6 s LYS 43 N -0.07 2.21 0.74 1.61 1.02 -0.38 -5.12 119.74 119.75 3dv6 s LYS 43 Ca 0.00 -2.20 -0.11 0.00 0.02 0.00 0.00 55.97 53.68 3dv6 s LYS 43 Cb 0.00 -1.78 0.04 0.00 -0.52 0.00 0.00 37.83 35.57 3dv6 s LYS 43 CO 0.00 -0.42 1.08 0.00 -0.92 0.00 0.00 175.35 175.09 3dv6 s ALA 44 N -2.81 2.42 0.35 5.17 0.00 -1.26 -4.63 121.76 121.00 3dv6 s ALA 44 Ca 0.20 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 3dv6 s ALA 44 Cb 0.01 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 3dv6 s ALA 44 CO 0.12 -1.54 1.29 -0.51 0.00 0.00 0.00 175.76 175.11 3dv6 s LEU 45 N -5.70 4.36 -0.15 0.00 1.43 -1.26 -4.41 118.68 112.95 3dv6 s LEU 45 Ca 0.61 2.64 -0.01 0.00 -1.03 0.00 0.00 54.13 56.33 3dv6 s LEU 45 Cb -0.16 -3.74 0.04 0.00 0.03 0.00 0.00 46.19 42.36 3dv6 s LEU 45 CO 0.54 -0.60 -0.02 -0.70 0.23 0.00 0.00 176.35 175.80 3dv6 s GLU 46 N -1.93 1.04 0.09 1.70 2.12 0.81 -4.98 118.70 117.55 3dv6 s GLU 46 Ca 0.51 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 55.17 3dv6 s GLU 46 Cb -0.38 -1.82 -0.08 0.00 0.26 0.00 0.00 34.13 32.11 3dv6 s GLU 46 CO 0.50 -0.46 1.56 -0.46 -0.54 0.00 0.00 175.26 175.86 3dv6 s TRP 47 N 1.77 2.76 -0.22 5.30 -0.00 -1.26 -1.15 118.94 126.13 3dv6 s TRP 47 Ca 0.01 0.56 -0.03 0.00 -0.00 0.00 0.00 56.10 56.63 3dv6 s TRP 47 Cb -0.15 -3.87 -0.19 0.00 -0.00 0.00 0.00 33.47 29.26 3dv6 s TRP 47 CO -0.07 -3.34 -0.05 1.28 -0.00 0.00 0.00 176.95 174.77 3dv6 n LEU 48 N 4.93 2.72 0.00 5.86 4.77 0.25 -4.58 117.00 130.95 3dv6 n LEU 48 Ca 0.14 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3dv6 n LEU 48 Cb 0.41 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3dv6 n LEU 48 CO 0.61 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 178.13 3dv6 n GLY 49 N 2.04 -0.59 3.23 -0.72 0.00 -1.20 -0.56 105.19 107.38 3dv6 n GLY 49 Ca -0.42 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 3dv6 n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dv6 s PHE 50 N -2.00 0.33 -0.10 1.61 -0.12 -1.06 -1.10 117.98 115.53 3dv6 s PHE 50 Ca 0.00 -0.75 0.02 0.00 -0.05 0.00 0.00 56.93 56.15 3dv6 s PHE 50 Cb 0.00 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 3dv6 s PHE 50 CO 0.00 -0.58 -0.15 -1.50 -0.05 0.00 0.00 175.22 172.94 3dv6 s ILE 51 N -3.92 2.88 1.12 -4.49 2.07 -0.04 -2.15 121.20 116.67 3dv6 s ILE 51 Ca 0.11 -0.74 -0.19 0.00 -1.41 0.00 0.00 60.65 58.42 3dv6 s ILE 51 Cb 0.05 -2.17 0.26 0.00 0.13 0.00 0.00 42.46 40.73 3dv6 s ILE 51 CO -0.06 0.55 1.21 -0.13 -1.91 0.00 0.00 174.94 174.59 3dv6 s ARG 52 N 0.05 -0.61 0.77 3.50 0.52 0.11 -1.40 118.95 121.88 3dv6 s ARG 52 Ca -0.06 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 3dv6 s ARG 52 Cb -0.15 -1.69 0.16 0.00 0.52 0.00 0.00 34.95 33.79 3dv6 s ARG 52 CO 0.05 -3.27 1.05 0.27 0.02 0.00 0.00 175.30 173.42 3dv6 n ASN 52 N -4.40 1.01 -0.16 0.23 0.23 -1.25 -4.08 115.26 106.85 3dv6 n ASN 52 Ca 0.15 -1.95 -0.03 0.00 -0.53 0.00 0.00 54.58 52.23 3dv6 n ASN 52 Cb 0.60 -0.71 0.06 0.00 -2.08 0.00 0.00 39.78 37.64 3dv6 n ASN 52 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3dv6 h LYS 52 N 0.00 0.25 -0.32 -3.83 3.64 -1.21 -1.28 116.57 113.81 3dv6 h LYS 52 Ca -0.34 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.12 3dv6 h LYS 52 Cb 1.18 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3dv6 h LYS 52 CO 0.33 0.16 0.24 0.00 -2.27 0.00 0.00 179.45 177.91 3dv6 h ALA 52 N 1.37 2.29 -0.25 5.00 0.00 -1.93 -0.04 119.26 125.70 3dv6 h ALA 52 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3dv6 h ALA 52 Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dv6 h ALA 52 CO -0.30 -0.40 0.00 1.63 0.00 0.00 0.00 179.25 180.17 3dv6 n LYS 53 N -4.41 2.36 -1.10 0.00 4.76 -0.67 -4.96 118.16 114.14 3dv6 n LYS 53 Ca 0.05 -2.03 -0.04 0.00 -2.87 0.00 0.00 58.31 53.42 3dv6 n LYS 53 Cb 0.41 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 3dv6 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dv6 n GLY 54 N 1.42 0.66 3.50 0.72 0.00 -0.03 -3.81 105.19 107.64 3dv6 n GLY 54 Ca 0.17 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 3dv6 n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dv6 n TYR 55 N -2.89 -2.40 -1.55 1.61 4.01 -0.57 -4.97 117.16 110.39 3dv6 n TYR 55 Ca -0.04 0.80 -0.29 0.00 -0.16 0.00 0.00 57.90 58.22 3dv6 n TYR 55 Cb 0.12 -4.44 0.12 0.00 -0.31 0.00 0.00 39.34 34.83 3dv6 n TYR 55 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3dv6 s THR 56 N -3.24 2.38 0.21 -0.72 -4.23 -1.25 -4.50 115.64 104.29 3dv6 s THR 56 Ca 0.51 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 61.23 3dv6 s THR 56 Cb -0.24 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.68 3dv6 s THR 56 CO 0.63 -0.16 -0.15 0.68 -0.54 0.00 0.00 174.62 175.08 3dv6 s VAL 57 N -3.24 1.83 0.10 2.29 -7.23 -1.26 0.05 120.40 112.94 3dv6 s VAL 57 Ca 0.63 -2.21 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 3dv6 s VAL 57 Cb -0.15 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3dv6 s VAL 57 CO 0.53 -0.55 0.02 -1.61 -0.31 0.00 0.00 175.10 173.18 3dv6 s GLU 58 N -3.55 0.82 -0.01 4.82 0.41 -0.91 -5.01 118.70 115.26 3dv6 s GLU 58 Ca 0.23 -1.36 -0.11 0.00 -0.41 0.00 0.00 54.97 53.32 3dv6 s GLU 58 Cb -0.02 0.20 0.01 0.00 -1.78 0.00 0.00 34.13 32.54 3dv6 s GLU 58 CO 0.08 -0.19 0.22 0.71 -0.49 0.00 0.00 175.26 175.59 3dv6 s TYR 59 N -3.97 -0.07 0.59 1.61 2.02 -1.26 -2.57 117.35 113.69 3dv6 s TYR 59 Ca 0.18 0.07 -0.18 0.00 -0.37 0.00 0.00 57.07 56.77 3dv6 s TYR 59 Cb 0.08 0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.62 3dv6 s TYR 59 CO -0.03 -0.34 1.16 -1.54 -1.57 0.00 0.00 175.55 173.24 3dv6 s SER 60 N -1.33 5.37 0.58 2.29 1.04 0.28 -4.78 113.70 117.15 3dv6 s SER 60 Ca -0.14 2.23 0.30 0.00 0.48 0.00 0.00 55.95 58.82 3dv6 s SER 60 Cb -0.06 -2.58 1.78 0.00 0.10 0.00 0.00 66.02 65.25 3dv6 s SER 60 CO 0.03 -1.46 2.23 0.00 0.98 0.00 0.00 173.24 175.02 3dv6 h ALA 61 N 0.85 1.46 0.00 5.32 0.00 -1.93 -0.49 119.26 124.46 3dv6 h ALA 61 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3dv6 h ALA 61 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3dv6 h ALA 61 CO 0.55 0.03 0.00 0.66 0.00 0.00 0.00 179.25 180.49 3dv6 h SER 62 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.27 113.55 112.98 3dv6 h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dv6 h SER 62 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3dv6 h SER 62 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3dv6 n VAL 63 N -2.65 0.00 -1.68 0.95 0.24 -0.85 -4.98 118.33 109.37 3dv6 n VAL 63 Ca 0.02 -0.13 -0.46 0.00 -2.04 0.00 0.00 64.34 61.72 3dv6 n VAL 63 Cb 0.30 1.69 -0.04 0.00 -1.47 0.00 0.00 33.84 34.31 3dv6 n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3dv6 n LYS 64 N -0.02 2.40 0.00 7.34 4.81 -0.25 -0.57 118.16 131.86 3dv6 n LYS 64 Ca 0.00 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3dv6 n LYS 64 Cb 0.17 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.47 3dv6 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dv6 n GLY 65 N 4.42 3.01 0.13 3.14 0.00 -1.26 -4.82 105.19 109.81 3dv6 n GLY 65 Ca 0.22 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 3dv6 n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dv6 h ARG 66 N 0.00 0.34 -5.90 1.61 3.08 -1.57 -3.46 114.38 108.48 3dv6 h ARG 66 Ca 0.00 -0.41 -0.64 0.00 0.07 0.00 0.00 59.98 59.00 3dv6 h ARG 66 Cb 0.00 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 3dv6 h ARG 66 CO 0.00 1.11 -0.52 -0.06 -1.07 0.00 0.00 179.97 179.42 3dv6 s PHE 67 N -3.00 3.45 -0.04 3.04 0.40 0.26 -2.67 117.98 119.42 3dv6 s PHE 67 Ca -0.14 0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 3dv6 s PHE 67 Cb 0.02 -1.78 0.01 0.00 0.51 0.00 0.00 43.02 41.78 3dv6 s PHE 67 CO 0.81 0.61 -0.10 0.99 0.70 0.00 0.00 175.22 178.23 3dv6 s THR 68 N -1.31 0.87 -0.10 0.64 2.01 0.76 -4.80 115.64 113.72 3dv6 s THR 68 Ca 0.27 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.90 3dv6 s THR 68 Cb -0.12 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 3dv6 s THR 68 CO 0.18 0.28 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.62 3dv6 s ILE 69 N 0.34 3.03 0.08 1.82 1.01 -1.26 0.21 121.20 126.43 3dv6 s ILE 69 Ca -0.06 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 3dv6 s ILE 69 Cb -0.11 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3dv6 s ILE 69 CO 0.01 0.55 0.09 -0.94 0.00 0.00 0.00 174.94 174.65 3dv6 s SER 70 N -0.06 0.29 0.03 3.58 1.04 -1.15 -4.97 113.70 112.47 3dv6 s SER 70 Ca -0.03 -0.86 0.02 0.00 0.48 0.00 0.00 55.95 55.56 3dv6 s SER 70 Cb -0.14 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 3dv6 s SER 70 CO 0.04 -0.68 -0.07 0.00 0.98 0.00 0.00 173.24 173.50 3dv6 s ARG 71 N -3.91 0.52 -0.49 4.02 1.70 -1.26 -0.63 118.95 118.90 3dv6 s ARG 71 Ca 0.08 -0.61 -0.05 0.00 -0.47 0.00 0.00 55.73 54.68 3dv6 s ARG 71 Cb 0.06 -0.36 0.13 0.00 -0.57 0.00 0.00 34.95 34.21 3dv6 s ARG 71 CO -0.09 0.08 0.32 0.34 -1.08 0.00 0.00 175.30 174.87 3dv6 s ASP 72 N -1.17 5.45 0.50 -2.89 2.15 0.13 -4.96 116.67 115.88 3dv6 s ASP 72 Ca -0.06 -2.19 0.29 0.00 0.43 0.00 0.00 52.55 51.01 3dv6 s ASP 72 Cb -0.08 -1.91 1.04 0.00 -0.30 0.00 0.00 42.92 41.68 3dv6 s ASP 72 CO 0.00 -0.56 1.86 0.78 -0.17 0.00 0.00 175.17 177.09 3dv6 h ASN 73 N 7.95 0.00 0.34 -0.34 -0.26 -1.96 0.16 115.58 121.47 3dv6 h ASN 73 Ca -0.12 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.51 3dv6 h ASN 73 Cb 1.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.28 3dv6 h ASN 73 CO 0.75 0.07 -0.46 0.77 -1.06 0.00 0.00 177.43 177.50 3dv6 h SER 74 N 0.00 0.16 -0.00 5.81 4.64 -1.96 -3.28 113.55 118.92 3dv6 h SER 74 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3dv6 h SER 74 Cb 0.68 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3dv6 h SER 74 CO 0.01 0.60 -0.00 0.00 -0.87 0.00 0.00 176.83 176.57 3dv6 n GLN 75 N -3.98 -0.69 -3.46 4.77 6.02 -1.07 -5.01 117.38 113.96 3dv6 n GLN 75 Ca -0.02 -0.62 -0.20 0.00 -0.01 0.00 0.00 57.00 56.16 3dv6 n GLN 75 Cb 0.50 -1.04 0.08 0.00 1.02 0.00 0.00 30.24 30.81 3dv6 n GLN 75 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3dv6 n SER 76 N 0.11 -4.41 -4.42 1.08 7.64 0.50 -4.73 113.62 109.39 3dv6 n SER 76 Ca 0.01 -0.54 -0.31 0.00 1.01 0.00 0.00 58.87 59.04 3dv6 n SER 76 Cb 0.05 -4.82 -0.14 0.00 -1.01 0.00 0.00 64.21 58.29 3dv6 n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dv6 s ILE 77 N -3.32 2.66 0.05 0.44 1.01 -0.83 -1.86 121.20 119.35 3dv6 s ILE 77 Ca 0.32 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3dv6 s ILE 77 Cb -0.14 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3dv6 s ILE 77 CO 0.69 0.49 0.06 -0.22 0.00 0.00 0.00 174.94 175.96 3dv6 s LEU 78 N -0.98 3.76 0.11 2.97 2.96 0.87 0.20 118.68 128.58 3dv6 s LEU 78 Ca 0.12 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3dv6 s LEU 78 Cb -0.10 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3dv6 s LEU 78 CO 0.02 0.21 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.83 3dv6 s TYR 79 N -1.30 1.17 -0.07 5.38 2.02 0.19 0.48 117.35 125.22 3dv6 s TYR 79 Ca 0.26 -0.63 -0.02 0.00 -0.37 0.00 0.00 57.07 56.32 3dv6 s TYR 79 Cb -0.12 -0.63 0.03 0.00 -0.40 0.00 0.00 41.96 40.84 3dv6 s TYR 79 CO 0.19 0.05 0.02 -1.17 -1.57 0.00 0.00 175.55 173.06 3dv6 s LEU 80 N -2.47 0.48 -0.39 -1.29 2.96 -0.25 -2.92 118.68 114.81 3dv6 s LEU 80 Ca 0.07 -0.07 -0.15 0.00 -0.22 0.00 0.00 54.13 53.75 3dv6 s LEU 80 Cb -0.03 -0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.30 3dv6 s LEU 80 CO 0.01 -0.21 0.32 -1.58 -1.32 0.00 0.00 176.35 173.56 3dv6 s GLN 81 N 2.02 3.16 -0.18 1.98 2.00 0.13 -0.05 119.66 128.73 3dv6 s GLN 81 Ca 0.05 -0.84 -0.07 0.00 -2.00 0.00 0.00 55.36 52.50 3dv6 s GLN 81 Cb -0.12 -3.92 -0.04 0.00 0.80 0.00 0.00 33.01 29.72 3dv6 s GLN 81 CO -0.05 -0.68 0.05 -1.64 -0.50 0.00 0.00 175.29 172.46 3dv6 s MET 82 N 1.81 3.92 0.31 1.67 -1.94 -0.30 -0.17 119.30 124.59 3dv6 s MET 82 Ca 0.07 -0.37 0.09 0.00 -1.71 0.00 0.00 55.69 53.77 3dv6 s MET 82 Cb -0.18 -3.16 -0.06 0.00 2.01 0.00 0.00 34.83 33.44 3dv6 s MET 82 CO 0.11 0.28 -0.11 -0.80 -0.01 0.00 0.00 175.02 174.49 3dv6 s ASN 82 N 0.33 3.40 -1.30 3.03 0.01 -1.09 -1.83 114.94 117.48 3dv6 s ASN 82 Ca 0.02 -1.16 -0.10 0.00 -0.71 0.00 0.00 52.86 50.92 3dv6 s ASN 82 Cb -0.13 -0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.25 3dv6 s ASN 82 CO 0.01 -0.19 0.56 0.41 -1.51 0.00 0.00 177.10 176.37 3dv6 n THR 82 N -0.69 -3.93 -1.75 1.60 -1.04 -0.90 -4.83 114.28 102.74 3dv6 n THR 82 Ca -0.05 -0.66 -0.41 0.00 -2.04 0.00 0.00 64.05 60.88 3dv6 n THR 82 Cb 0.63 -3.16 0.00 0.00 -1.82 0.00 0.00 70.33 65.98 3dv6 n THR 82 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dv6 n LEU 82 N -4.39 4.43 -4.36 -4.42 7.99 -0.53 -4.67 117.00 111.06 3dv6 n LEU 82 Ca -0.22 1.20 -0.19 0.00 -0.01 0.00 0.00 56.01 56.79 3dv6 n LEU 82 Cb 0.65 -1.57 -0.10 0.00 -0.11 0.00 0.00 43.42 42.28 3dv6 n LEU 82 CO 0.73 -0.10 -0.39 -0.13 -1.51 0.00 0.00 177.39 175.98 3dv6 s ARG 83 N -2.09 1.37 0.44 3.23 0.52 -1.26 -0.38 118.95 120.77 3dv6 s ARG 83 Ca 0.55 -1.65 0.14 0.00 -0.52 0.00 0.00 55.73 54.24 3dv6 s ARG 83 Cb -0.50 -0.97 1.03 0.00 0.52 0.00 0.00 34.95 35.03 3dv6 s ARG 83 CO 0.62 0.07 1.99 0.00 0.02 0.00 0.00 175.30 178.00 3dv6 h ALA 84 N 2.48 2.00 0.00 2.13 0.00 -1.96 0.05 119.26 123.96 3dv6 h ALA 84 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3dv6 h ALA 84 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3dv6 h ALA 84 CO 0.64 -0.12 0.00 -0.85 0.00 0.00 0.00 179.25 178.92 3dv6 n GLU 85 N -4.47 0.36 0.02 0.00 0.00 -1.26 -1.44 120.64 113.85 3dv6 n GLU 85 Ca 0.09 0.06 0.12 0.00 0.00 0.00 0.00 57.16 57.43 3dv6 n GLU 85 Cb 0.34 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.45 3dv6 n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3dv6 n ASP 86 N -1.27 0.59 -4.67 -1.84 10.43 0.00 -4.86 116.55 114.94 3dv6 n ASP 86 Ca 0.12 -0.18 -0.44 0.00 2.57 0.00 0.00 54.79 56.85 3dv6 n ASP 86 Cb 0.18 0.37 -0.04 0.00 1.84 0.00 0.00 41.12 43.47 3dv6 n ASP 86 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3dv6 n SER 87 N -1.74 3.92 -3.63 -2.24 7.64 -0.52 -4.87 113.62 112.18 3dv6 n SER 87 Ca 0.04 0.91 0.02 0.00 1.01 0.00 0.00 58.87 60.85 3dv6 n SER 87 Cb 0.38 -1.47 -0.00 0.00 -1.01 0.00 0.00 64.21 62.10 3dv6 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dv6 s ALA 88 N 4.42 -2.28 0.04 -0.43 0.00 -0.17 -4.36 121.76 118.98 3dv6 s ALA 88 Ca 0.91 0.65 -0.24 0.00 0.00 0.00 0.00 51.96 53.28 3dv6 s ALA 88 Cb -0.52 0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 3dv6 s ALA 88 CO 0.45 -1.06 0.72 0.99 0.00 0.00 0.00 175.76 176.86 3dv6 s THR 89 N -2.36 4.76 -0.20 0.00 2.01 -0.49 0.03 115.64 119.39 3dv6 s THR 89 Ca 0.16 1.53 -0.00 0.00 0.31 0.00 0.00 61.69 63.68 3dv6 s THR 89 Cb 0.05 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.51 3dv6 s THR 89 CO -0.04 0.39 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.83 3dv6 s TYR 90 N -0.16 2.88 -0.04 4.92 1.51 0.50 -0.62 117.35 126.35 3dv6 s TYR 90 Ca 0.36 -1.49 0.01 0.00 -1.01 0.00 0.00 57.07 54.94 3dv6 s TYR 90 Cb -0.20 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 3dv6 s TYR 90 CO 0.22 -0.74 -0.05 0.71 -1.11 0.00 0.00 175.55 174.58 3dv6 s TYR 91 N 1.33 2.97 -0.05 2.71 2.02 0.25 -1.96 117.35 124.62 3dv6 s TYR 91 Ca 0.04 0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 56.73 3dv6 s TYR 91 Cb -0.14 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 3dv6 s TYR 91 CO -0.09 0.38 0.18 0.00 -1.57 0.00 0.00 175.55 174.44 3dv6 s ALA 93 N -1.20 -0.27 0.27 0.00 0.00 -0.08 -1.65 121.76 118.83 3dv6 s ALA 93 Ca 0.22 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 3dv6 s ALA 93 Cb -0.12 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 3dv6 s ALA 93 CO 0.13 -0.07 1.38 0.50 0.00 0.00 0.00 175.76 177.69 3dv6 s ARG 94 N 0.26 4.31 0.35 0.00 3.52 -0.18 -0.52 118.95 126.70 3dv6 s ARG 94 Ca -0.02 2.24 0.06 0.00 -0.13 0.00 0.00 55.73 57.88 3dv6 s ARG 94 Cb -0.03 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.23 3dv6 s ARG 94 CO -0.01 -0.32 0.34 0.34 -0.81 0.00 0.00 175.30 174.84 3dv6 s ASP 95 N 0.07 1.63 0.00 -2.12 -1.08 -0.53 -1.92 116.67 112.71 3dv6 s ASP 95 Ca 0.55 -1.73 0.00 0.00 -0.52 0.00 0.00 52.55 50.85 3dv6 s ASP 95 Cb -0.40 0.60 0.00 0.00 -1.46 0.00 0.00 42.92 41.65 3dv6 s ASP 95 CO 0.46 -1.14 0.00 0.61 0.52 0.00 0.00 175.17 175.62 3dv6 n GLY 96 N -0.64 -1.26 1.65 2.66 0.00 -1.25 -1.37 105.19 104.98 3dv6 n GLY 96 Ca 0.06 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.66 3dv6 n GLY 96 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dv6 n TYR 97 N 2.23 1.61 -0.05 1.61 4.11 -1.26 -2.01 117.16 123.40 3dv6 n TYR 97 Ca 0.00 -0.62 -0.12 0.00 -0.00 0.00 0.00 57.90 57.16 3dv6 n TYR 97 Cb 0.00 -0.31 -0.11 0.00 -0.00 0.00 0.00 39.34 38.92 3dv6 n TYR 97 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 3dv6 h TYR 98 N 4.00 -0.02 -0.01 -3.48 0.05 -1.94 -3.38 116.97 112.20 3dv6 h TYR 98 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dv6 h TYR 98 Cb 1.56 0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.31 3dv6 h TYR 98 CO 0.84 0.75 -0.11 1.33 -1.05 0.00 0.00 178.16 179.92 3dv6 n VAL 99 N -4.70 0.00 -3.93 -2.88 0.24 -1.26 -5.00 118.33 100.80 3dv6 n VAL 99 Ca -0.09 -0.44 -0.30 0.00 -2.04 0.00 0.00 64.34 61.47 3dv6 n VAL 99 Cb 0.38 1.09 0.02 0.00 -1.47 0.00 0.00 33.84 33.86 3dv6 n VAL 99 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3dv6 n ASP 100 N -0.21 -4.28 -3.89 -1.34 8.00 -0.85 -4.94 116.55 109.04 3dv6 n ASP 100 Ca 0.03 -0.81 -0.08 0.00 0.71 0.00 0.00 54.79 54.64 3dv6 n ASP 100 Cb 0.14 -3.76 -0.03 0.00 -0.02 0.00 0.00 41.12 37.45 3dv6 n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dv6 s ALA 100 N -3.34 -0.93 -0.57 2.24 0.00 -1.24 -4.99 121.76 112.93 3dv6 s ALA 100 Ca 0.61 -0.46 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 3dv6 s ALA 100 Cb -0.31 0.91 0.09 0.00 0.00 0.00 0.00 23.12 23.81 3dv6 s ALA 100 CO 0.84 -0.98 0.71 -1.64 0.00 0.00 0.00 175.76 174.69 3dv6 s MET 100 N -3.95 3.08 0.02 0.00 -1.94 -1.26 -3.97 119.30 111.28 3dv6 s MET 100 Ca 0.14 -1.13 0.23 0.00 -1.71 0.00 0.00 55.69 53.23 3dv6 s MET 100 Cb -0.04 -4.21 0.17 0.00 2.01 0.00 0.00 34.83 32.75 3dv6 s MET 100 CO 0.07 -1.47 1.16 -0.40 -0.01 0.00 0.00 175.02 174.36 3dv6 n ASP 101 N 6.44 0.67 -3.86 3.03 3.85 -0.81 -4.84 116.55 121.03 3dv6 n ASP 101 Ca -0.08 -0.44 -0.12 0.00 -0.71 0.00 0.00 54.79 53.44 3dv6 n ASP 101 Cb 0.44 0.62 -0.13 0.00 -1.35 0.00 0.00 41.12 40.69 3dv6 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3dv6 s TYR 102 N -3.06 -0.03 0.07 2.11 2.02 -1.26 -5.00 117.35 112.21 3dv6 s TYR 102 Ca 0.08 0.07 0.06 0.00 -0.37 0.00 0.00 57.07 56.91 3dv6 s TYR 102 Cb 0.16 -0.00 -0.03 0.00 -0.40 0.00 0.00 41.96 41.69 3dv6 s TYR 102 CO 0.78 -0.06 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.96 3dv6 s TRP 103 N -0.20 1.30 0.77 2.71 0.52 -1.26 -1.01 118.94 121.77 3dv6 s TRP 103 Ca -0.02 -0.45 -0.13 0.00 0.02 0.00 0.00 56.10 55.52 3dv6 s TRP 103 Cb -0.02 -0.73 0.18 0.00 -1.15 0.00 0.00 33.47 31.75 3dv6 s TRP 103 CO 0.00 0.08 1.04 0.41 0.02 0.00 0.00 176.95 178.49 3dv6 n GLY 104 N 1.29 -1.45 0.12 0.98 0.00 -0.66 -4.62 105.19 100.86 3dv6 n GLY 104 Ca -0.21 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 3dv6 n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3dv6 h GLN 105 N 0.00 0.22 0.00 1.61 3.07 -1.91 -3.47 115.11 114.63 3dv6 h GLN 105 Ca -0.34 -0.26 0.00 0.00 0.09 0.00 0.00 58.65 58.15 3dv6 h GLN 105 Cb 0.93 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.56 3dv6 h GLN 105 CO 0.24 1.00 0.00 0.41 0.09 0.00 0.00 178.83 180.57 3dv6 n GLY 106 N 0.98 2.31 3.02 0.06 0.00 -1.26 -5.00 105.19 105.30 3dv6 n GLY 106 Ca -0.04 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 3dv6 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dv6 s THR 107 N -2.95 0.63 0.01 2.61 -4.23 -0.83 -4.67 115.64 106.21 3dv6 s THR 107 Ca 0.00 -0.52 -0.15 0.00 -1.18 0.00 0.00 61.69 59.84 3dv6 s THR 107 Cb 0.00 -0.57 -0.06 0.00 1.34 0.00 0.00 72.50 73.22 3dv6 s THR 107 CO 0.00 0.05 0.42 -0.94 -0.54 0.00 0.00 174.62 173.61 3dv6 s SER 108 N -0.52 6.82 -0.16 3.99 1.04 -1.26 -0.37 113.70 123.24 3dv6 s SER 108 Ca 0.01 0.98 0.01 0.00 0.48 0.00 0.00 55.95 57.42 3dv6 s SER 108 Cb -0.05 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 63.82 3dv6 s SER 108 CO 0.00 0.31 -0.17 -0.69 0.98 0.00 0.00 173.24 173.67 3dv6 s VAL 109 N -1.10 2.44 -0.24 5.02 1.01 0.10 -1.73 120.40 125.91 3dv6 s VAL 109 Ca 0.25 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3dv6 s VAL 109 Cb -0.17 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.21 3dv6 s VAL 109 CO 0.14 0.52 -0.08 -0.89 0.00 0.00 0.00 175.10 174.79 3dv6 s THR 110 N 0.99 2.78 -0.72 3.92 2.01 -0.39 -0.99 115.64 123.24 3dv6 s THR 110 Ca -0.02 -0.98 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 3dv6 s THR 110 Cb -0.15 -2.37 0.12 0.00 0.01 0.00 0.00 72.50 70.11 3dv6 s THR 110 CO -0.04 0.26 0.86 -0.69 -0.69 0.00 0.00 174.62 174.33 3dv6 s VAL 111 N 1.33 4.80 -0.12 3.82 1.01 -1.26 -1.11 120.40 128.87 3dv6 s VAL 111 Ca 0.01 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.80 3dv6 s VAL 111 Cb -0.16 -4.60 0.02 0.00 0.00 0.00 0.00 36.38 31.64 3dv6 s VAL 111 CO -0.06 -1.27 -0.16 -0.44 0.00 0.00 0.00 175.10 173.17 3dv6 s SER 112 N 3.47 2.57 0.00 3.32 0.01 0.63 -4.63 113.70 119.07 3dv6 s SER 112 Ca 0.19 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.99 3dv6 s SER 112 Cb -0.16 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 64.92 3dv6 s SER 112 CO 0.01 0.01 0.00 -1.20 0.41 0.00 0.00 173.24 172.47