#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lv1 s GLN 2 N 0.00 2.85 -0.11 0.54 0.74 -1.26 -2.44 119.66 119.98 1lv1 s GLN 2 Ca 0.00 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 54.73 1lv1 s GLN 2 Cb 0.00 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.66 1lv1 s GLN 2 CO 0.00 0.44 -0.23 0.08 -0.55 0.00 0.00 175.29 175.03 1lv1 s VAL 3 N -0.26 2.05 0.77 1.34 1.01 0.14 -4.95 120.40 120.50 1lv1 s VAL 3 Ca 0.01 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 1lv1 s VAL 3 Cb -0.13 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.59 1lv1 s VAL 3 CO 0.03 0.55 1.07 0.42 0.00 0.00 0.00 175.10 177.17 1lv1 s THR 4 N 0.51 2.17 -0.17 3.92 -4.23 -1.26 -0.15 115.64 116.42 1lv1 s THR 4 Ca -0.15 -0.36 0.16 0.00 -1.18 0.00 0.00 61.69 60.16 1lv1 s THR 4 Cb -0.17 -2.80 0.39 0.00 1.34 0.00 0.00 72.50 71.25 1lv1 s THR 4 CO 0.05 0.00 1.26 0.18 -0.54 0.00 0.00 174.62 175.57 1lv1 n LEU 5 N -3.07 2.96 0.26 4.79 4.77 -1.26 -4.60 117.00 120.85 1lv1 n LEU 5 Ca 0.13 -3.27 0.15 0.00 -0.03 0.00 0.00 56.01 52.99 1lv1 n LEU 5 Cb 0.60 -0.49 0.66 0.00 -2.33 0.00 0.00 43.42 41.85 1lv1 n LEU 5 CO 0.46 0.86 0.95 -0.50 -1.33 0.00 0.00 177.39 177.83 1lv1 h TRP 6 N 0.68 0.00 -3.73 -1.77 4.06 -1.95 -3.43 115.95 109.82 1lv1 h TRP 6 Ca 0.02 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.61 1lv1 h TRP 6 Cb 1.18 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 29.15 1lv1 h TRP 6 CO 0.34 0.08 -0.75 1.14 -3.56 0.00 0.00 178.44 175.70 1lv1 s GLN 7 N -3.76 0.88 0.15 0.49 -2.07 -1.26 -5.10 119.66 108.99 1lv1 s GLN 7 Ca 0.00 -1.13 -0.34 0.00 -1.82 0.00 0.00 55.36 52.07 1lv1 s GLN 7 Cb 0.10 -0.68 -0.15 0.00 -1.09 0.00 0.00 33.01 31.20 1lv1 s GLN 7 CO 0.57 0.12 1.43 0.54 -1.32 0.00 0.00 175.29 176.63 1lv1 n ARG 8 N 0.70 1.69 -2.30 9.60 1.74 -1.26 -4.81 116.66 122.02 1lv1 n ARG 8 Ca -0.17 0.61 -0.38 0.00 -0.77 0.00 0.00 57.85 57.14 1lv1 n ARG 8 Cb 0.57 -2.29 -0.02 0.00 -1.02 0.00 0.00 32.46 29.70 1lv1 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1lv1 n PRO 9 N 2.71 2.59 -3.44 5.56 -0.04 -1.26 -4.95 135.00 136.17 1lv1 n PRO 9 Ca 0.16 -2.91 -0.38 0.00 -0.04 0.00 0.00 63.50 60.33 1lv1 n PRO 9 Cb 0.26 -3.54 -0.06 0.00 -0.04 0.00 0.00 33.50 30.12 1lv1 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1lv1 s LEU 10 N 6.19 4.48 0.13 1.53 1.43 -1.26 -1.63 118.68 129.55 1lv1 s LEU 10 Ca 0.58 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1lv1 s LEU 10 Cb 0.04 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1lv1 s LEU 10 CO 0.09 0.30 0.01 0.68 0.23 0.00 0.00 176.35 177.66 1lv1 s VAL 11 N -1.03 0.40 0.01 -1.59 -7.23 -0.22 -4.94 120.40 105.79 1lv1 s VAL 11 Ca 0.25 -1.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 1lv1 s VAL 11 Cb -0.17 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 1lv1 s VAL 11 CO 0.15 -0.58 0.54 -0.89 -0.31 0.00 0.00 175.10 174.01 1lv1 s THR 12 N -3.84 4.91 0.03 5.32 2.01 -1.26 -0.48 115.64 122.33 1lv1 s THR 12 Ca 0.21 1.13 0.05 0.00 0.31 0.00 0.00 61.69 63.38 1lv1 s THR 12 Cb 0.07 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1lv1 s THR 12 CO 0.00 0.47 -0.14 0.27 -0.69 0.00 0.00 174.62 174.54 1lv1 s ILE 13 N -0.51 1.06 -0.18 1.82 -4.36 0.14 -2.15 121.20 117.03 1lv1 s ILE 13 Ca 0.28 -0.90 -0.01 0.00 -0.26 0.00 0.00 60.65 59.76 1lv1 s ILE 13 Cb -0.18 -0.95 -0.00 0.00 1.25 0.00 0.00 42.46 42.57 1lv1 s ILE 13 CO 0.16 0.05 -0.11 -0.75 0.24 0.00 0.00 174.94 174.53 1lv1 s LYS 14 N -0.97 3.29 -0.08 0.37 2.20 0.14 -0.94 119.74 123.75 1lv1 s LYS 14 Ca 0.02 -0.69 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 1lv1 s LYS 14 Cb -0.07 -2.76 0.04 0.00 -1.51 0.00 0.00 37.83 33.53 1lv1 s LYS 14 CO 0.01 -0.04 0.20 -1.50 -0.36 0.00 0.00 175.35 173.65 1lv1 s ILE 15 N 1.00 -0.04 -1.45 5.43 2.07 -0.02 -0.85 121.20 127.33 1lv1 s ILE 15 Ca -0.01 0.16 -0.10 0.00 -1.41 0.00 0.00 60.65 59.29 1lv1 s ILE 15 Cb -0.15 -0.31 0.04 0.00 0.13 0.00 0.00 42.46 42.17 1lv1 s ILE 15 CO -0.02 0.07 0.98 0.61 -1.91 0.00 0.00 174.94 174.67 1lv1 n GLY 16 N 4.19 -0.52 3.20 1.50 0.00 -1.26 -1.33 105.19 110.97 1lv1 n GLY 16 Ca -0.26 0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1lv1 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lv1 n GLY 17 N -1.77 1.49 3.66 -0.02 0.00 -1.26 -5.00 105.19 102.29 1lv1 n GLY 17 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1lv1 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lv1 s GLN 18 N -0.09 2.42 -0.18 1.61 -0.21 -0.44 -5.12 119.66 117.65 1lv1 s GLN 18 Ca 0.00 -1.01 -0.07 0.00 0.02 0.00 0.00 55.36 54.30 1lv1 s GLN 18 Cb 0.00 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 1lv1 s GLN 18 CO 0.00 0.49 0.06 -0.51 -2.12 0.00 0.00 175.29 173.21 1lv1 s LEU 19 N -2.64 3.79 0.11 2.90 1.43 -1.26 -0.84 118.68 122.17 1lv1 s LEU 19 Ca 0.26 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1lv1 s LEU 19 Cb -0.10 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1lv1 s LEU 19 CO 0.18 0.18 0.17 -0.54 0.23 0.00 0.00 176.35 176.57 1lv1 s LYS 20 N 0.35 0.91 -0.06 1.70 1.02 -0.12 -5.00 119.74 118.54 1lv1 s LYS 20 Ca 0.03 -1.11 -0.02 0.00 0.02 0.00 0.00 55.97 54.89 1lv1 s LYS 20 Cb -0.12 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 1lv1 s LYS 20 CO 0.00 -0.29 0.03 -1.21 -0.92 0.00 0.00 175.35 172.97 1lv1 s GLU 21 N -3.92 3.03 0.05 1.68 2.02 -1.26 0.29 118.70 120.58 1lv1 s GLU 21 Ca 0.11 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 1lv1 s GLU 21 Cb 0.05 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 1lv1 s GLU 21 CO -0.06 0.69 -0.01 0.00 0.02 0.00 0.00 175.26 175.90 1lv1 s ALA 22 N -0.99 0.39 -0.19 5.21 0.00 0.36 -4.59 121.76 121.94 1lv1 s ALA 22 Ca 0.16 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1lv1 s ALA 22 Cb -0.12 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 1lv1 s ALA 22 CO 0.06 -0.34 0.18 -1.17 0.00 0.00 0.00 175.76 174.49 1lv1 s LEU 23 N -2.66 4.21 -0.49 0.00 2.96 0.09 -1.05 118.68 121.73 1lv1 s LEU 23 Ca 0.03 0.30 -0.28 0.00 -0.22 0.00 0.00 54.13 53.95 1lv1 s LEU 23 Cb 0.05 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1lv1 s LEU 23 CO -0.08 0.14 1.38 -0.76 -1.32 0.00 0.00 176.35 175.70 1lv1 s LEU 24 N 0.48 3.50 -0.41 -0.68 1.43 -0.64 -0.49 118.68 121.87 1lv1 s LEU 24 Ca 0.10 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1lv1 s LEU 24 Cb -0.12 -3.31 0.11 0.00 0.03 0.00 0.00 46.19 42.90 1lv1 s LEU 24 CO 0.00 -1.54 0.20 -0.62 0.23 0.00 0.00 176.35 174.62 1lv1 s ASP 25 N 3.98 5.26 0.39 2.29 -1.08 -0.61 -3.93 116.67 122.97 1lv1 s ASP 25 Ca 0.55 -2.00 0.28 0.00 -0.52 0.00 0.00 52.55 50.86 1lv1 s ASP 25 Cb -0.11 -1.83 1.13 0.00 -1.46 0.00 0.00 42.92 40.64 1lv1 s ASP 25 CO 0.29 -0.54 1.83 0.71 0.52 0.00 0.00 175.17 177.98 1lv1 h THR 26 N 6.36 0.00 -0.01 1.71 1.35 -1.82 -2.82 112.91 117.67 1lv1 h THR 26 Ca -0.13 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1lv1 h THR 26 Cb 1.05 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1lv1 h THR 26 CO 0.70 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.57 1lv1 n GLY 27 N 0.10 -0.56 3.45 5.82 0.00 -1.26 -4.68 105.19 108.06 1lv1 n GLY 27 Ca 0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1lv1 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lv1 s ALA 28 N -2.03 2.80 0.07 4.61 0.00 -1.06 -5.00 121.76 121.15 1lv1 s ALA 28 Ca 0.42 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 1lv1 s ALA 28 Cb 0.21 -1.32 -0.17 0.00 0.00 0.00 0.00 23.12 21.85 1lv1 s ALA 28 CO 0.36 0.29 1.27 -0.44 0.00 0.00 0.00 175.76 177.24 1lv1 h ASP 29 N 6.45 0.78 -1.63 0.00 3.32 -1.88 0.20 116.42 123.67 1lv1 h ASP 29 Ca -0.31 -0.64 -0.47 0.00 0.02 0.00 0.00 57.03 55.63 1lv1 h ASP 29 Cb 1.20 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1lv1 h ASP 29 CO 0.57 1.29 -0.37 -1.81 -1.72 0.00 0.00 179.24 177.21 1lv1 s ASP 30 N -6.89 5.36 -0.23 6.45 1.01 -1.26 -2.28 116.67 118.83 1lv1 s ASP 30 Ca -0.12 -0.54 -0.08 0.00 0.71 0.00 0.00 52.55 52.52 1lv1 s ASP 30 Cb 0.07 -0.78 -0.04 0.00 1.01 0.00 0.00 42.92 43.18 1lv1 s ASP 30 CO 0.87 -0.57 0.09 -0.89 0.21 0.00 0.00 175.17 174.88 1lv1 s THR 31 N -2.36 4.73 -0.13 -1.27 2.01 -1.26 -2.81 115.64 114.54 1lv1 s THR 31 Ca 0.47 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1lv1 s THR 31 Cb -0.06 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.28 1lv1 s THR 31 CO 0.29 0.37 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.73 1lv1 s VAL 32 N 1.13 1.70 0.05 3.82 1.01 -0.35 -1.57 120.40 126.19 1lv1 s VAL 32 Ca 0.05 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1lv1 s VAL 32 Cb -0.14 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1lv1 s VAL 32 CO 0.04 0.48 -0.17 -0.76 0.00 0.00 0.00 175.10 174.69 1lv1 s LEU 33 N 1.08 2.69 0.95 3.92 1.43 0.13 -0.29 118.68 128.58 1lv1 s LEU 33 Ca -0.03 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 1lv1 s LEU 33 Cb -0.14 -1.56 0.12 0.00 0.03 0.00 0.00 46.19 44.63 1lv1 s LEU 33 CO -0.05 0.25 0.86 -1.84 0.23 0.00 0.00 176.35 175.81 1lv1 n GLU 34 N 1.45 -0.51 -1.65 1.70 0.28 -1.26 -0.67 120.64 119.98 1lv1 n GLU 34 Ca -0.16 -0.09 -0.49 0.00 -0.16 0.00 0.00 57.16 56.26 1lv1 n GLU 34 Cb 0.52 -2.18 -0.05 0.00 1.43 0.00 0.00 31.44 31.17 1lv1 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1lv1 n GLU 35 N -3.37 1.81 -3.58 3.44 4.07 -1.18 -4.50 120.64 117.33 1lv1 n GLU 35 Ca 0.10 0.66 -0.16 0.00 -0.06 0.00 0.00 57.16 57.69 1lv1 n GLU 35 Cb 0.53 -2.40 -0.06 0.00 -0.06 0.00 0.00 31.44 29.44 1lv1 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1lv1 s MET 36 N 1.61 0.98 -0.16 5.31 0.23 -1.26 -5.04 119.30 120.97 1lv1 s MET 36 Ca 0.84 0.05 -0.29 0.00 -1.03 0.00 0.00 55.69 55.26 1lv1 s MET 36 Cb -0.79 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 32.93 1lv1 s MET 36 CO 0.45 -0.32 1.75 0.45 -2.03 0.00 0.00 175.02 175.32 1lv1 s SER 37 N -1.42 6.32 -0.06 -1.18 0.15 -1.26 -4.99 113.70 111.25 1lv1 s SER 37 Ca -0.10 1.89 0.02 0.00 0.70 0.00 0.00 55.95 58.47 1lv1 s SER 37 Cb -0.01 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1lv1 s SER 37 CO 0.06 -1.27 -0.11 -0.76 1.20 0.00 0.00 173.24 172.36 1lv1 s LEU 38 N 5.31 1.62 0.29 3.45 1.43 -1.26 -4.96 118.68 124.55 1lv1 s LEU 38 Ca 0.78 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.31 1lv1 s LEU 38 Cb -0.30 -0.78 -0.09 0.00 0.03 0.00 0.00 46.19 45.05 1lv1 s LEU 38 CO 0.32 0.03 1.03 -2.16 0.23 0.00 0.00 176.35 175.79 1lv1 s PRO 39 N 0.67 4.64 0.00 1.29 0.04 -1.26 -4.94 135.00 135.44 1lv1 s PRO 39 Ca -0.14 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1lv1 s PRO 39 Cb -0.15 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1lv1 s PRO 39 CO 0.03 0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1lv1 n GLY 40 N 1.11 1.10 3.85 0.56 0.00 -1.26 -5.07 105.19 105.49 1lv1 n GLY 40 Ca -0.00 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 1lv1 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1lv1 s ARG 41 N -1.10 3.83 0.36 1.61 3.52 -1.26 -5.10 118.95 120.81 1lv1 s ARG 41 Ca 0.00 0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.92 1lv1 s ARG 41 Cb 0.00 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1lv1 s ARG 41 CO 0.00 0.62 0.09 1.67 -0.81 0.00 0.00 175.30 176.88 1lv1 s TRP 42 N -1.24 1.84 -0.04 5.12 1.48 -1.26 -4.67 118.94 120.16 1lv1 s TRP 42 Ca 0.28 -1.13 -0.00 0.00 -1.06 0.00 0.00 56.10 54.19 1lv1 s TRP 42 Cb -0.15 -1.19 0.03 0.00 -1.16 0.00 0.00 33.47 30.99 1lv1 s TRP 42 CO 0.15 -0.16 0.01 0.15 -4.06 0.00 0.00 176.95 173.04 1lv1 s LYS 43 N -3.83 0.28 0.60 3.25 1.02 -0.95 -4.88 119.74 115.24 1lv1 s LYS 43 Ca 0.30 0.14 -0.20 0.00 0.02 0.00 0.00 55.97 56.23 1lv1 s LYS 43 Cb 0.06 -0.56 -0.03 0.00 -0.52 0.00 0.00 37.83 36.77 1lv1 s LYS 43 CO 0.15 -0.20 1.27 -2.30 -0.92 0.00 0.00 175.35 173.35 1lv1 n PRO 44 N 4.51 1.30 -3.50 -1.68 -0.02 -1.26 -0.89 135.00 133.46 1lv1 n PRO 44 Ca -0.19 0.50 -0.09 0.00 -2.02 0.00 0.00 63.50 61.70 1lv1 n PRO 44 Cb 0.50 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 1lv1 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1lv1 s LYS 45 N -3.10 0.92 0.06 -0.52 2.20 0.69 -4.84 119.74 115.15 1lv1 s LYS 45 Ca 0.78 -0.35 0.08 0.00 -0.36 0.00 0.00 55.97 56.11 1lv1 s LYS 45 Cb -0.40 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 1lv1 s LYS 45 CO 0.45 -0.40 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.18 1lv1 s MET 46 N -3.23 1.33 0.08 4.03 -1.94 -1.26 0.96 119.30 119.26 1lv1 s MET 46 Ca 0.05 -1.00 0.05 0.00 -1.71 0.00 0.00 55.69 53.08 1lv1 s MET 46 Cb -0.01 -1.48 -0.03 0.00 2.01 0.00 0.00 34.83 35.32 1lv1 s MET 46 CO -0.09 0.37 -0.14 0.96 -0.01 0.00 0.00 175.02 176.11 1lv1 s ILE 47 N -0.89 1.11 0.22 2.53 -4.36 -0.81 -4.97 121.20 114.03 1lv1 s ILE 47 Ca 0.07 -1.37 0.05 0.00 -0.26 0.00 0.00 60.65 59.14 1lv1 s ILE 47 Cb -0.09 -1.13 -0.03 0.00 1.25 0.00 0.00 42.46 42.46 1lv1 s ILE 47 CO 0.02 -0.27 0.31 -0.83 0.24 0.00 0.00 174.94 174.41 1lv1 s GLY 48 N -1.87 1.35 0.00 6.27 0.00 -1.26 -2.05 107.32 109.76 1lv1 s GLY 48 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1lv1 s GLY 48 CO 0.02 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.48 1lv1 n GLY 49 N -1.19 1.49 3.75 0.20 0.00 -0.90 -4.97 105.19 103.58 1lv1 n GLY 49 Ca -0.08 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1lv1 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lv1 s ILE 50 N -2.67 4.09 0.00 -0.61 1.01 -1.26 -3.36 121.20 118.40 1lv1 s ILE 50 Ca 0.00 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.65 1lv1 s ILE 50 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1lv1 s ILE 50 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1lv1 n GLY 51 N 1.66 3.33 0.00 6.18 0.00 -1.26 -1.92 105.19 113.18 1lv1 n GLY 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1lv1 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lv1 n GLY 52 N -1.50 0.32 3.39 -0.02 0.00 -1.21 -3.85 105.19 102.31 1lv1 n GLY 52 Ca 0.00 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 1lv1 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lv1 s PHE 53 N -3.29 2.31 0.11 1.61 -0.12 -1.26 -2.11 117.98 115.23 1lv1 s PHE 53 Ca 0.00 -0.38 0.05 0.00 -0.05 0.00 0.00 56.93 56.54 1lv1 s PHE 53 Cb 0.00 -1.26 -0.04 0.00 -0.63 0.00 0.00 43.02 41.09 1lv1 s PHE 53 CO 0.00 0.32 -0.12 0.96 -0.05 0.00 0.00 175.22 176.34 1lv1 s ILE 54 N -1.04 1.11 -0.16 -4.49 -4.36 -0.87 -4.80 121.20 106.58 1lv1 s ILE 54 Ca 0.14 -1.69 -0.14 0.00 -0.26 0.00 0.00 60.65 58.70 1lv1 s ILE 54 Cb -0.10 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.12 1lv1 s ILE 54 CO 0.06 -0.51 0.31 -0.75 0.24 0.00 0.00 174.94 174.29 1lv1 s LYS 55 N -2.78 4.26 0.12 0.37 2.36 -1.26 -1.93 119.74 120.88 1lv1 s LYS 55 Ca 0.07 0.12 0.01 0.00 -2.55 0.00 0.00 55.97 53.62 1lv1 s LYS 55 Cb -0.03 -3.44 -0.04 0.00 -1.05 0.00 0.00 37.83 33.27 1lv1 s LYS 55 CO 0.01 0.21 -0.03 0.14 1.55 0.00 0.00 175.35 177.23 1lv1 s VAL 56 N 0.55 0.59 -0.13 4.02 -7.23 0.27 -4.54 120.40 113.94 1lv1 s VAL 56 Ca 0.17 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.31 1lv1 s VAL 56 Cb -0.13 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1lv1 s VAL 56 CO 0.04 -0.74 0.21 -0.13 -0.31 0.00 0.00 175.10 174.17 1lv1 s ARG 57 N -3.88 3.83 -0.22 4.82 1.81 -0.69 -0.22 118.95 124.39 1lv1 s ARG 57 Ca 0.16 -0.03 -0.07 0.00 -1.72 0.00 0.00 55.73 54.07 1lv1 s ARG 57 Cb 0.06 -3.29 -0.03 0.00 -0.45 0.00 0.00 34.95 31.24 1lv1 s ARG 57 CO -0.02 0.56 0.06 -1.14 -0.68 0.00 0.00 175.30 174.07 1lv1 s GLN 58 N -0.44 3.74 -0.18 3.54 0.74 -0.07 -1.57 119.66 125.41 1lv1 s GLN 58 Ca 0.15 -0.45 -0.00 0.00 0.05 0.00 0.00 55.36 55.11 1lv1 s GLN 58 Cb -0.13 -3.26 0.01 0.00 1.10 0.00 0.00 33.01 30.73 1lv1 s GLN 58 CO 0.04 -0.03 -0.15 0.71 -0.55 0.00 0.00 175.29 175.31 1lv1 s TYR 59 N 1.19 2.82 0.42 1.67 1.51 0.01 -2.23 117.35 122.74 1lv1 s TYR 59 Ca 0.04 -1.32 0.04 0.00 -1.01 0.00 0.00 57.07 54.83 1lv1 s TYR 59 Cb -0.14 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 1lv1 s TYR 59 CO 0.03 -0.66 0.59 -0.51 -1.11 0.00 0.00 175.55 173.89 1lv1 s ASP 60 N 1.21 5.76 -1.34 2.29 1.01 -1.26 0.19 116.67 124.53 1lv1 s ASP 60 Ca 0.02 -0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.17 1lv1 s ASP 60 Cb -0.14 -1.13 0.01 0.00 1.01 0.00 0.00 42.92 42.67 1lv1 s ASP 60 CO -0.07 -0.69 0.20 0.00 0.21 0.00 0.00 175.17 174.82 1lv1 n GLN 61 N -1.91 -2.80 -3.07 8.23 1.13 -1.20 -4.90 117.38 112.86 1lv1 n GLN 61 Ca 0.03 0.72 -0.39 0.00 -1.94 0.00 0.00 57.00 55.42 1lv1 n GLN 61 Cb 0.58 -5.40 -0.06 0.00 0.11 0.00 0.00 30.24 25.48 1lv1 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lv1 s ILE 62 N -2.86 4.55 0.06 5.09 -1.09 -0.61 -4.78 121.20 121.56 1lv1 s ILE 62 Ca 0.13 1.54 -0.18 0.00 -2.23 0.00 0.00 60.65 59.91 1lv1 s ILE 62 Cb -0.06 -4.06 -0.06 0.00 -1.58 0.00 0.00 42.46 36.69 1lv1 s ILE 62 CO 0.16 0.50 0.52 -0.22 -1.23 0.00 0.00 174.94 174.67 1lv1 s LEU 63 N -0.93 4.50 -0.12 2.97 2.96 -1.26 -1.98 118.68 124.82 1lv1 s LEU 63 Ca 0.34 1.17 -0.11 0.00 -0.22 0.00 0.00 54.13 55.31 1lv1 s LEU 63 Cb -0.22 -2.83 0.03 0.00 0.50 0.00 0.00 46.19 43.67 1lv1 s LEU 63 CO 0.23 0.28 0.33 -0.51 -1.32 0.00 0.00 176.35 175.36 1lv1 s ILE 64 N -1.13 -0.00 -0.21 6.68 2.07 0.44 -4.39 121.20 124.65 1lv1 s ILE 64 Ca 0.28 0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.49 1lv1 s ILE 64 Cb -0.18 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 1lv1 s ILE 64 CO 0.17 0.01 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.57 1lv1 s GLU 65 N 0.30 3.46 -0.24 3.50 2.02 -0.03 -0.66 118.70 127.05 1lv1 s GLU 65 Ca -0.01 -0.59 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 1lv1 s GLU 65 Cb -0.03 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.19 1lv1 s GLU 65 CO -0.01 -0.12 -0.07 0.42 0.02 0.00 0.00 175.26 175.50 1lv1 s ILE 66 N 1.31 2.83 -1.51 -1.63 1.01 0.02 -0.68 121.20 122.55 1lv1 s ILE 66 Ca 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1lv1 s ILE 66 Cb -0.14 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1lv1 s ILE 66 CO -0.01 0.26 0.28 0.00 0.00 0.00 0.00 174.94 175.47 1lv1 n GLY 68 N -2.15 3.03 3.66 0.00 0.00 -1.26 -4.99 105.19 103.48 1lv1 n GLY 68 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1lv1 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lv1 s HIS 69 N -1.21 3.37 0.51 1.61 4.02 0.34 -5.03 115.29 118.90 1lv1 s HIS 69 Ca 0.00 1.05 -0.18 0.00 1.02 0.00 0.00 55.06 56.95 1lv1 s HIS 69 Cb 0.00 -2.91 -0.08 0.00 -1.02 0.00 0.00 32.58 28.58 1lv1 s HIS 69 CO 0.00 -0.24 1.00 0.15 1.02 0.00 0.00 174.74 176.67 1lv1 s LYS 70 N 2.17 3.88 -0.14 1.40 1.02 -1.26 -0.80 119.74 126.02 1lv1 s LYS 70 Ca 0.32 1.07 -0.29 0.00 0.02 0.00 0.00 55.97 57.10 1lv1 s LYS 70 Cb -0.16 -2.12 0.07 0.00 -0.52 0.00 0.00 37.83 35.10 1lv1 s LYS 70 CO 0.10 -0.33 0.72 0.00 -0.92 0.00 0.00 175.35 174.92 1lv1 s ALA 71 N -2.44 -1.79 -0.06 5.17 0.00 0.16 -4.93 121.76 117.88 1lv1 s ALA 71 Ca 0.61 1.59 0.05 0.00 0.00 0.00 0.00 51.96 54.20 1lv1 s ALA 71 Cb -0.11 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1lv1 s ALA 71 CO 0.27 -0.35 -0.20 0.42 0.00 0.00 0.00 175.76 175.90 1lv1 s ILE 72 N -0.62 1.70 -0.00 0.00 1.01 -1.26 -0.42 121.20 121.60 1lv1 s ILE 72 Ca -0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 1lv1 s ILE 72 Cb -0.02 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 41.03 1lv1 s ILE 72 CO 0.06 0.48 0.52 0.61 0.00 0.00 0.00 174.94 176.61 1lv1 n GLY 73 N 3.18 0.50 3.74 6.18 0.00 -0.84 -4.92 105.19 113.03 1lv1 n GLY 73 Ca -0.18 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1lv1 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lv1 s THR 74 N -2.11 4.09 -0.04 2.61 2.01 -1.26 -1.57 115.64 119.37 1lv1 s THR 74 Ca 0.12 1.97 0.03 0.00 0.31 0.00 0.00 61.69 64.12 1lv1 s THR 74 Cb -0.00 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1lv1 s THR 74 CO -0.00 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 1lv1 s VAL 75 N -0.78 1.11 -0.19 3.82 1.01 0.13 -4.59 120.40 120.91 1lv1 s VAL 75 Ca 0.44 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1lv1 s VAL 75 Cb -0.26 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1lv1 s VAL 75 CO 0.33 0.34 -0.02 -0.76 0.00 0.00 0.00 175.10 174.98 1lv1 s LEU 76 N 0.23 3.19 -0.17 3.92 1.43 -0.61 -0.81 118.68 125.86 1lv1 s LEU 76 Ca -0.06 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1lv1 s LEU 76 Cb -0.11 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1lv1 s LEU 76 CO 0.02 0.09 -0.03 -0.69 0.23 0.00 0.00 176.35 175.96 1lv1 s VAL 77 N 0.87 3.80 0.06 -1.59 1.01 -0.61 0.21 120.40 124.15 1lv1 s VAL 77 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 1lv1 s VAL 77 Cb -0.14 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1lv1 s VAL 77 CO 0.02 0.47 0.49 0.61 0.00 0.00 0.00 175.10 176.69 1lv1 n GLY 78 N 3.89 0.87 2.72 4.51 0.00 0.16 -1.71 105.19 115.64 1lv1 n GLY 78 Ca -0.17 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1lv1 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1lv1 n PRO 79 N -0.35 2.33 -3.48 1.61 -0.04 -1.26 -3.13 135.00 130.69 1lv1 n PRO 79 Ca -0.00 -1.91 -0.36 0.00 -0.04 0.00 0.00 63.50 61.19 1lv1 n PRO 79 Cb 0.26 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 30.87 1lv1 n PRO 79 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1lv1 s THR 80 N 3.63 4.99 -0.38 0.52 2.01 -1.26 -4.98 115.64 120.16 1lv1 s THR 80 Ca 0.51 0.72 0.27 0.00 0.31 0.00 0.00 61.69 63.50 1lv1 s THR 80 Cb 0.13 -3.71 0.32 0.00 0.01 0.00 0.00 72.50 69.26 1lv1 s THR 80 CO -0.00 0.39 1.77 1.55 -0.69 0.00 0.00 174.62 177.63 1lv1 h PRO 81 N 4.05 0.00 -3.06 4.92 0.13 -1.89 -3.43 132.00 132.72 1lv1 h PRO 81 Ca -0.50 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 1lv1 h PRO 81 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 1lv1 h PRO 81 CO 0.64 0.00 -0.39 0.08 -0.23 0.00 0.00 178.00 178.10 1lv1 s VAL 82 N -3.32 -0.00 0.20 1.56 1.01 -1.26 -5.10 120.40 113.49 1lv1 s VAL 82 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 1lv1 s VAL 82 Cb 0.09 -0.39 -0.09 0.00 0.00 0.00 0.00 36.38 35.98 1lv1 s VAL 82 CO 0.57 0.00 1.44 0.20 0.00 0.00 0.00 175.10 177.31 1lv1 s ASN 83 N 0.15 6.71 -0.07 3.32 0.01 -1.26 -4.78 114.94 119.02 1lv1 s ASN 83 Ca -0.00 2.55 0.03 0.00 -0.71 0.00 0.00 52.86 54.73 1lv1 s ASN 83 Cb -0.02 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.04 1lv1 s ASN 83 CO 0.00 -0.69 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.10 1lv1 s ILE 84 N 0.47 1.53 -0.38 0.60 1.01 0.60 -0.73 121.20 124.31 1lv1 s ILE 84 Ca 0.62 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 1lv1 s ILE 84 Cb -0.41 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 40.74 1lv1 s ILE 84 CO 0.37 0.44 0.21 -0.63 0.00 0.00 0.00 174.94 175.33 1lv1 s ILE 85 N 0.44 4.57 0.58 2.92 -1.09 0.36 -1.21 121.20 127.79 1lv1 s ILE 85 Ca -0.15 -0.87 -0.03 0.00 -2.23 0.00 0.00 60.65 57.37 1lv1 s ILE 85 Cb -0.16 -3.56 0.12 0.00 -1.58 0.00 0.00 42.46 37.28 1lv1 s ILE 85 CO 0.05 -0.24 0.80 0.61 -1.23 0.00 0.00 174.94 174.93 1lv1 n GLY 86 N 5.00 0.14 0.25 6.18 0.00 -1.12 -1.57 105.19 114.07 1lv1 n GLY 86 Ca -0.12 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.05 1lv1 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1lv1 h ARG 87 N 0.00 0.00 -0.87 1.61 3.08 -0.56 -1.96 114.38 115.67 1lv1 h ARG 87 Ca -0.26 0.00 0.14 0.00 0.07 0.00 0.00 59.98 59.93 1lv1 h ARG 87 Cb 0.89 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.88 1lv1 h ARG 87 CO 0.25 0.06 0.57 -2.95 -1.07 0.00 0.00 179.97 176.83 1lv1 h ASN 88 N 0.00 0.64 0.14 7.04 -1.07 -1.71 -2.38 115.58 118.24 1lv1 h ASN 88 Ca -0.00 0.04 -0.36 0.00 0.07 0.00 0.00 56.30 56.05 1lv1 h ASN 88 Cb 0.11 -0.09 -0.05 0.00 -2.07 0.00 0.00 38.32 36.22 1lv1 h ASN 88 CO 0.01 0.33 -2.15 0.18 0.07 0.00 0.00 177.43 175.87 1lv1 n LEU 89 N -4.55 1.83 -0.25 6.14 4.77 -0.98 -4.34 117.00 119.62 1lv1 n LEU 89 Ca 0.17 0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.36 1lv1 n LEU 89 Cb 0.45 -0.46 0.36 0.00 -2.33 0.00 0.00 43.42 41.44 1lv1 n LEU 89 CO 0.30 0.71 1.22 -0.07 -1.33 0.00 0.00 177.39 178.22 1lv1 h LEU 90 N 0.02 0.68 -1.27 2.23 3.38 -1.14 -0.21 115.31 118.99 1lv1 h LEU 90 Ca -0.46 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1lv1 h LEU 90 Cb 2.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 1lv1 h LEU 90 CO 0.02 0.38 -0.36 0.71 0.09 0.00 0.00 178.44 179.29 1lv1 h THR 91 N 0.73 1.17 0.00 0.22 1.35 -1.64 -1.31 112.91 113.44 1lv1 h THR 91 Ca 0.41 -1.25 -0.04 0.00 -0.55 0.00 0.00 66.41 64.98 1lv1 h THR 91 Cb 0.56 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1lv1 h THR 91 CO -0.17 0.35 -0.18 1.56 -0.25 0.00 0.00 175.52 176.82 1lv1 h GLN 92 N 0.00 0.00 -0.48 4.72 4.20 -1.23 -2.69 115.11 119.63 1lv1 h GLN 92 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1lv1 h GLN 92 Cb 0.66 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1lv1 h GLN 92 CO 0.05 0.18 0.04 0.44 -0.67 0.00 0.00 178.83 178.87 1lv1 n ILE 93 N -3.36 2.63 -2.72 2.54 -5.35 -1.06 -4.94 119.36 107.11 1lv1 n ILE 93 Ca 0.00 -1.66 -0.20 0.00 -0.27 0.00 0.00 62.75 60.62 1lv1 n ILE 93 Cb 0.40 -0.29 0.02 0.00 -1.74 0.00 0.00 39.64 38.03 1lv1 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lv1 n GLY 94 N 0.05 -0.44 3.72 3.28 0.00 -1.01 -4.77 105.19 106.01 1lv1 n GLY 94 Ca 0.28 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1lv1 n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lv1 s MET 95 N -5.35 4.26 0.12 1.61 1.75 -0.52 -4.42 119.30 116.75 1lv1 s MET 95 Ca 0.17 2.26 0.06 0.00 -1.25 0.00 0.00 55.69 56.92 1lv1 s MET 95 Cb -0.07 -3.18 -0.04 0.00 2.84 0.00 0.00 34.83 34.38 1lv1 s MET 95 CO 0.21 -0.52 -0.14 0.95 -0.65 0.00 0.00 175.02 174.86 1lv1 s THR 96 N 0.98 1.34 -0.29 10.11 -4.23 0.19 -4.16 115.64 119.58 1lv1 s THR 96 Ca 0.67 -1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.43 1lv1 s THR 96 Cb -0.41 -1.55 0.05 0.00 1.34 0.00 0.00 72.50 71.92 1lv1 s THR 96 CO 0.32 -0.42 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.74 1lv1 s LEU 97 N -2.49 3.78 -0.22 4.79 2.96 0.11 -1.61 118.68 126.00 1lv1 s LEU 97 Ca 0.09 -1.25 -0.05 0.00 -0.22 0.00 0.00 54.13 52.70 1lv1 s LEU 97 Cb -0.05 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1lv1 s LEU 97 CO 0.03 -0.24 -0.02 0.20 -1.32 0.00 0.00 176.35 175.00 1lv1 s ASN 98 N 1.24 4.53 0.00 3.68 0.01 -0.78 0.82 114.94 124.44 1lv1 s ASN 98 Ca -0.05 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 1lv1 s ASN 98 Cb -0.20 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.68 1lv1 s ASN 98 CO -0.02 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.79 1lv1 n PHE 99 N 4.72 0.00 0.00 2.20 1.16 -1.26 0.33 117.46 124.61 1lv1 n PHE 99 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.40 1lv1 n PHE 99 Cb 0.51 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 1lv1 n PHE 99 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1lv1 n PRO 1001N -0.13 0.00 -4.87 3.97 -0.04 -1.26 -4.95 135.00 127.72 1lv1 n PRO 1001Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1lv1 n PRO 1001Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 1lv1 n PRO 1001CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1lv1 s GLN 1002N 0.00 3.26 -0.18 0.54 0.74 -1.26 -4.98 119.66 117.78 1lv1 s GLN 1002Ca 0.00 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.69 1lv1 s GLN 1002Cb 0.00 -2.55 0.01 0.00 1.10 0.00 0.00 33.01 31.57 1lv1 s GLN 1002CO 0.00 0.24 -0.17 0.08 -0.55 0.00 0.00 175.29 174.89 1lv1 s VAL 1003N 0.27 2.38 0.73 1.34 1.01 0.24 -4.94 120.40 121.44 1lv1 s VAL 1003Ca -0.11 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 1lv1 s VAL 1003Cb -0.16 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1lv1 s VAL 1003CO 0.06 0.52 1.09 0.42 0.00 0.00 0.00 175.10 177.19 1lv1 s THR 1004N 1.24 2.71 -0.54 3.92 -4.23 -1.26 0.04 115.64 117.52 1lv1 s THR 1004Ca 0.03 0.11 0.15 0.00 -1.18 0.00 0.00 61.69 60.80 1lv1 s THR 1004Cb -0.14 -3.21 0.50 0.00 1.34 0.00 0.00 72.50 71.00 1lv1 s THR 1004CO -0.09 -0.26 1.41 0.18 -0.54 0.00 0.00 174.62 175.33 1lv1 n LEU 1005N -3.07 3.80 0.31 4.79 4.77 -1.26 -4.46 117.00 121.88 1lv1 n LEU 1005Ca 0.07 -2.62 0.21 0.00 -0.03 0.00 0.00 56.01 53.64 1lv1 n LEU 1005Cb 0.59 -0.46 1.00 0.00 -2.33 0.00 0.00 43.42 42.22 1lv1 n LEU 1005CO 0.56 0.71 1.11 -0.50 -1.33 0.00 0.00 177.39 177.93 1lv1 h TRP 1006N 2.28 0.00 -3.83 -1.77 4.06 -1.93 -3.42 115.95 111.33 1lv1 h TRP 1006Ca 0.00 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 60.56 1lv1 h TRP 1006Cb 1.25 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 29.21 1lv1 h TRP 1006CO 0.48 0.00 -0.76 -0.65 -3.56 0.00 0.00 178.44 173.95 1lv1 s GLN 1007N -3.95 0.84 0.14 0.49 -0.21 -1.26 -5.09 119.66 110.61 1lv1 s GLN 1007Ca -0.02 -1.04 -0.35 0.00 0.02 0.00 0.00 55.36 53.97 1lv1 s GLN 1007Cb 0.11 -0.75 -0.15 0.00 1.00 0.00 0.00 33.01 33.22 1lv1 s GLN 1007CO 0.47 0.15 1.45 0.54 -2.12 0.00 0.00 175.29 175.78 1lv1 n ARG 1008N 1.01 1.69 -2.40 2.91 1.74 -1.26 -4.80 116.66 115.54 1lv1 n ARG 1008Ca -0.19 0.61 -0.38 0.00 -0.77 0.00 0.00 57.85 57.11 1lv1 n ARG 1008Cb 0.55 -2.31 -0.02 0.00 -1.02 0.00 0.00 32.46 29.67 1lv1 n ARG 1008CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1lv1 n PRO 1009N 2.88 2.70 -3.49 5.56 -0.04 -1.26 -4.95 135.00 136.40 1lv1 n PRO 1009Ca 0.17 -3.02 -0.38 0.00 -0.04 0.00 0.00 63.50 60.24 1lv1 n PRO 1009Cb 0.25 -3.57 -0.06 0.00 -0.04 0.00 0.00 33.50 30.08 1lv1 n PRO 1009CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1lv1 s LEU 1010N 6.27 4.39 0.12 1.53 1.43 -1.26 -1.57 118.68 129.59 1lv1 s LEU 1010Ca 0.58 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 1lv1 s LEU 1010Cb 0.03 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1lv1 s LEU 1010CO 0.10 0.23 -0.07 0.68 0.23 0.00 0.00 176.35 177.51 1lv1 s VAL 1011N -0.48 0.81 -0.06 -1.59 -7.23 -0.39 -4.95 120.40 106.51 1lv1 s VAL 1011Ca 0.23 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.27 1lv1 s VAL 1011Cb -0.16 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 1lv1 s VAL 1011CO 0.11 -0.81 0.41 0.42 -0.31 0.00 0.00 175.10 174.92 1lv1 s THR 1012N -3.55 5.11 0.16 5.32 -4.23 -1.26 -0.62 115.64 116.58 1lv1 s THR 1012Ca 0.14 0.83 0.09 0.00 -1.18 0.00 0.00 61.69 61.57 1lv1 s THR 1012Cb 0.05 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1lv1 s THR 1012CO -0.03 0.48 -0.20 0.27 -0.54 0.00 0.00 174.62 174.60 1lv1 s ILE 1013N -0.38 1.96 -0.13 2.99 -4.36 0.34 -1.68 121.20 119.94 1lv1 s ILE 1013Ca 0.23 -1.90 0.02 0.00 -0.26 0.00 0.00 60.65 58.74 1lv1 s ILE 1013Cb -0.16 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.68 1lv1 s ILE 1013CO 0.11 -0.22 -0.18 -0.75 0.24 0.00 0.00 174.94 174.14 1lv1 s LYS 1014N -2.64 2.54 -0.09 0.37 2.20 -0.57 -1.21 119.74 120.34 1lv1 s LYS 1014Ca 0.16 -0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 55.05 1lv1 s LYS 1014Cb -0.07 -2.14 0.04 0.00 -1.51 0.00 0.00 37.83 34.16 1lv1 s LYS 1014CO 0.07 -0.08 0.22 -1.50 -0.36 0.00 0.00 175.35 173.70 1lv1 s ILE 1015N 1.02 -0.04 -1.37 5.43 2.07 -0.38 -1.59 121.20 126.32 1lv1 s ILE 1015Ca -0.04 0.15 -0.06 0.00 -1.41 0.00 0.00 60.65 59.29 1lv1 s ILE 1015Cb -0.15 -0.34 0.01 0.00 0.13 0.00 0.00 42.46 42.11 1lv1 s ILE 1015CO -0.04 0.06 0.80 0.61 -1.91 0.00 0.00 174.94 174.46 1lv1 n GLY 1016N 4.20 -0.44 2.75 1.50 0.00 -1.26 -2.04 105.19 109.89 1lv1 n GLY 1016Ca -0.25 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1lv1 n GLY 1016CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lv1 n GLY 1017N -1.66 0.36 3.41 -0.02 0.00 -1.26 -5.00 105.19 101.02 1lv1 n GLY 1017Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1lv1 n GLY 1017CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lv1 s GLN 1018N -0.76 1.67 -0.18 1.61 -0.21 -0.87 -5.12 119.66 115.79 1lv1 s GLN 1018Ca 0.00 -1.21 -0.08 0.00 0.02 0.00 0.00 55.36 54.10 1lv1 s GLN 1018Cb 0.00 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.97 1lv1 s GLN 1018CO 0.00 0.48 0.07 -0.51 -2.12 0.00 0.00 175.29 173.22 1lv1 s LEU 1019N -1.79 3.87 0.13 2.90 1.43 -1.26 -1.26 118.68 122.71 1lv1 s LEU 1019Ca 0.14 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1lv1 s LEU 1019Cb -0.10 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1lv1 s LEU 1019CO 0.06 0.18 0.12 -0.54 0.23 0.00 0.00 176.35 176.39 1lv1 s LYS 1020N 0.37 0.96 -0.06 1.70 1.02 -0.35 -5.01 119.74 118.37 1lv1 s LYS 1020Ca 0.04 -1.33 -0.02 0.00 0.02 0.00 0.00 55.97 54.68 1lv1 s LYS 1020Cb -0.12 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1lv1 s LYS 1020CO -0.00 -0.29 0.06 -1.21 -0.92 0.00 0.00 175.35 172.99 1lv1 s GLU 1021N -4.01 3.11 0.09 1.68 2.02 -1.26 -0.50 118.70 119.82 1lv1 s GLU 1021Ca 0.20 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.82 1lv1 s GLU 1021Cb 0.06 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 1lv1 s GLU 1021CO -0.00 0.70 -0.06 0.00 0.02 0.00 0.00 175.26 175.91 1lv1 s ALA 1022N -1.04 0.87 -0.21 5.21 0.00 0.21 -4.46 121.76 122.35 1lv1 s ALA 1022Ca 0.18 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.76 1lv1 s ALA 1022Cb -0.12 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1lv1 s ALA 1022CO 0.07 -0.25 0.09 -1.17 0.00 0.00 0.00 175.76 174.51 1lv1 s LEU 1023N -2.95 3.86 -0.42 0.00 2.96 0.49 -1.26 118.68 121.36 1lv1 s LEU 1023Ca 0.10 0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.78 1lv1 s LEU 1023Cb 0.05 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1lv1 s LEU 1023CO -0.05 0.12 1.46 -0.76 -1.32 0.00 0.00 176.35 175.79 1lv1 s LEU 1024N 0.73 3.55 -0.40 -0.68 1.43 -0.61 -1.00 118.68 121.71 1lv1 s LEU 1024Ca 0.05 0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1lv1 s LEU 1024Cb -0.13 -3.48 0.11 0.00 0.03 0.00 0.00 46.19 42.72 1lv1 s LEU 1024CO 0.02 -1.50 0.16 -0.62 0.23 0.00 0.00 176.35 174.64 1lv1 s ASP 1025N 4.27 5.07 0.44 2.29 -1.08 -0.32 -3.98 116.67 123.36 1lv1 s ASP 1025Ca 0.62 -2.13 0.30 0.00 -0.52 0.00 0.00 52.55 50.83 1lv1 s ASP 1025Cb -0.14 -1.76 1.26 0.00 -1.46 0.00 0.00 42.92 40.82 1lv1 s ASP 1025CO 0.32 -0.48 1.89 0.71 0.52 0.00 0.00 175.17 178.13 1lv1 h THR 1026N 6.38 0.00 -0.00 1.71 1.35 -1.83 -2.65 112.91 117.88 1lv1 h THR 1026Ca -0.09 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1lv1 h THR 1026Cb 1.03 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1lv1 h THR 1026CO 0.64 0.00 -0.12 0.61 -0.25 0.00 0.00 175.52 176.40 1lv1 n GLY 1027N -0.06 -1.15 3.57 5.82 0.00 -1.25 -4.68 105.19 107.43 1lv1 n GLY 1027Ca 0.01 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1lv1 n GLY 1027CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lv1 s ALA 1028N -2.67 3.11 0.07 4.61 0.00 -1.00 -4.98 121.76 120.91 1lv1 s ALA 1028Ca 0.23 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 1lv1 s ALA 1028Cb 0.20 -1.54 -0.25 0.00 0.00 0.00 0.00 23.12 21.53 1lv1 s ALA 1028CO 0.51 0.35 1.15 -0.44 0.00 0.00 0.00 175.76 177.33 1lv1 h ASP 1029N 6.13 0.78 -1.82 0.00 3.45 -1.87 0.14 116.42 123.22 1lv1 h ASP 1029Ca -0.39 -0.70 -0.47 0.00 0.43 0.00 0.00 57.03 55.90 1lv1 h ASP 1029Cb 1.19 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.70 1lv1 h ASP 1029CO 0.60 1.52 -0.39 -1.81 -1.57 0.00 0.00 179.24 177.59 1lv1 s ASP 1030N -7.33 5.66 -0.25 6.45 -0.00 -1.26 -2.37 116.67 117.57 1lv1 s ASP 1030Ca -0.08 -0.33 -0.06 0.00 -0.00 0.00 0.00 52.55 52.08 1lv1 s ASP 1030Cb 0.06 -1.12 -0.01 0.00 -0.00 0.00 0.00 42.92 41.85 1lv1 s ASP 1030CO 0.92 -0.39 0.04 -0.89 -0.00 0.00 0.00 175.17 174.85 1lv1 s THR 1031N -2.23 3.98 -0.12 -1.27 2.01 -1.26 -2.66 115.64 114.08 1lv1 s THR 1031Ca 0.43 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.07 1lv1 s THR 1031Cb -0.08 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1lv1 s THR 1031CO 0.29 0.30 -0.18 0.54 -0.69 0.00 0.00 174.62 174.88 1lv1 s VAL 1032N 1.55 1.76 0.12 3.82 0.11 -0.70 -0.84 120.40 126.23 1lv1 s VAL 1032Ca 0.05 -0.80 0.08 0.00 -2.93 0.00 0.00 61.98 58.38 1lv1 s VAL 1032Cb -0.15 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 1lv1 s VAL 1032CO 0.01 0.49 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.39 1lv1 s LEU 1033N 0.89 2.89 0.78 2.54 1.43 0.10 -0.70 118.68 126.62 1lv1 s LEU 1033Ca -0.07 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 1lv1 s LEU 1033Cb -0.15 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1lv1 s LEU 1033CO -0.01 0.17 0.91 -1.84 0.23 0.00 0.00 176.35 175.80 1lv1 n GLU 1034N 0.63 0.26 -1.51 1.70 0.28 -1.26 -1.74 120.64 119.01 1lv1 n GLU 1034Ca -0.14 0.15 -0.46 0.00 -0.16 0.00 0.00 57.16 56.55 1lv1 n GLU 1034Cb 0.53 -2.19 -0.02 0.00 1.43 0.00 0.00 31.44 31.19 1lv1 n GLU 1034CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1lv1 n GLU 1035N -2.15 0.81 -3.57 3.44 -0.58 -1.20 -4.64 120.64 112.76 1lv1 n GLU 1035Ca 0.12 0.28 -0.08 0.00 -0.42 0.00 0.00 57.16 57.07 1lv1 n GLU 1035Cb 0.50 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 1lv1 n GLU 1035CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lv1 s MET 1036N -1.34 0.54 -0.30 3.49 0.23 -1.26 -5.04 119.30 115.62 1lv1 s MET 1036Ca 0.61 -0.06 -0.28 0.00 -1.03 0.00 0.00 55.69 54.92 1lv1 s MET 1036Cb -0.79 0.25 -0.02 0.00 -1.53 0.00 0.00 34.83 32.74 1lv1 s MET 1036CO 0.58 -0.21 1.81 0.45 -2.03 0.00 0.00 175.02 175.63 1lv1 s SER 1037N -1.76 5.93 -0.06 -1.18 0.15 -1.26 -4.98 113.70 110.54 1lv1 s SER 1037Ca 0.04 1.42 0.01 0.00 0.70 0.00 0.00 55.95 58.12 1lv1 s SER 1037Cb -0.01 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1lv1 s SER 1037CO -0.04 -1.66 -0.07 -0.22 1.20 0.00 0.00 173.24 172.45 1lv1 s LEU 1038N 6.74 1.43 0.86 3.45 2.96 -1.26 -4.94 118.68 127.91 1lv1 s LEU 1038Ca 0.81 -0.20 -0.12 0.00 -0.22 0.00 0.00 54.13 54.40 1lv1 s LEU 1038Cb -0.24 -0.60 0.11 0.00 0.50 0.00 0.00 46.19 45.95 1lv1 s LEU 1038CO 0.34 -0.03 1.10 -2.16 -1.32 0.00 0.00 176.35 174.28 1lv1 s PRO 1039N 0.87 1.58 0.00 0.98 0.04 -1.26 -4.94 135.00 132.27 1lv1 s PRO 1039Ca -0.11 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1lv1 s PRO 1039Cb -0.15 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1lv1 s PRO 1039CO 0.01 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 175.49 1lv1 n GLY 1040N -1.76 0.60 3.80 0.56 0.00 -1.26 -5.00 105.19 102.14 1lv1 n GLY 1040Ca 0.07 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 1lv1 n GLY 1040CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1lv1 s ARG 1041N -1.15 3.21 0.25 1.61 3.52 -1.26 -5.12 118.95 120.00 1lv1 s ARG 1041Ca 0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1lv1 s ARG 1041Cb 0.00 -2.97 -0.00 0.00 -1.56 0.00 0.00 34.95 30.42 1lv1 s ARG 1041CO 0.00 0.70 0.02 -2.67 -0.81 0.00 0.00 175.30 172.54 1lv1 n TRP 1042N 1.61 0.48 -3.74 5.12 4.27 -1.26 -4.64 117.44 119.27 1lv1 n TRP 1042Ca -0.16 -1.29 -0.12 0.00 -3.89 0.00 0.00 57.50 52.04 1lv1 n TRP 1042Cb 0.54 -0.13 -0.13 0.00 -1.36 0.00 0.00 31.31 30.22 1lv1 n TRP 1042CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1lv1 s LYS 1043N -2.90 0.21 0.63 -2.67 1.02 -0.40 -4.91 119.74 110.73 1lv1 s LYS 1043Ca 0.02 0.50 -0.18 0.00 0.02 0.00 0.00 55.97 56.33 1lv1 s LYS 1043Cb 0.00 -0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.20 1lv1 s LYS 1043CO 0.02 -0.15 1.21 -2.30 -0.92 0.00 0.00 175.35 173.21 1lv1 n PRO 1044N 4.06 1.07 -3.57 -1.68 -0.02 -1.26 -0.51 135.00 133.09 1lv1 n PRO 1044Ca -0.24 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.57 1lv1 n PRO 1044Cb 0.54 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 1lv1 n PRO 1044CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1lv1 s LYS 1045N -3.20 0.56 -0.07 -0.52 2.20 -0.49 -4.81 119.74 113.41 1lv1 s LYS 1045Ca 0.81 0.05 0.03 0.00 -0.36 0.00 0.00 55.97 56.49 1lv1 s LYS 1045Cb -0.39 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.20 1lv1 s LYS 1045CO 0.42 -0.19 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.41 1lv1 s MET 1046N -1.51 2.16 0.19 4.03 -1.94 -1.26 0.57 119.30 121.54 1lv1 s MET 1046Ca 0.01 -0.60 0.10 0.00 -1.71 0.00 0.00 55.69 53.50 1lv1 s MET 1046Cb -0.01 -1.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 1lv1 s MET 1046CO -0.01 0.11 -0.19 0.96 -0.01 0.00 0.00 175.02 175.88 1lv1 s ILE 1047N 0.46 2.67 0.16 2.53 -4.36 -0.76 -4.93 121.20 116.98 1lv1 s ILE 1047Ca -0.14 -1.88 0.04 0.00 -0.26 0.00 0.00 60.65 58.41 1lv1 s ILE 1047Cb -0.16 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.22 1lv1 s ILE 1047CO 0.05 -0.11 0.18 -0.83 0.24 0.00 0.00 174.94 174.47 1lv1 s GLY 1048N -2.71 1.70 0.00 6.27 0.00 -1.26 -0.83 107.32 110.49 1lv1 s GLY 1048Ca 0.22 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1lv1 s GLY 1048CO 0.12 -1.18 0.00 0.61 0.00 0.00 0.00 173.10 172.65 1lv1 n GLY 1049N -0.43 3.74 0.16 0.20 0.00 0.11 -4.97 105.19 104.01 1lv1 n GLY 1049Ca -0.08 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 1lv1 n GLY 1049CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1lv1 h ILE 1050N 0.43 0.69 -0.01 -0.61 1.08 -1.81 -3.01 117.51 114.27 1lv1 h ILE 1050Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1lv1 h ILE 1050Cb 0.00 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1lv1 h ILE 1050CO 0.00 0.00 -0.08 0.61 -0.69 0.00 0.00 178.15 177.99 1lv1 n GLY 1051N -1.25 -0.64 0.00 5.37 0.00 -0.81 -4.84 105.19 103.02 1lv1 n GLY 1051Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1lv1 n GLY 1051CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lv1 n GLY 1052N 1.21 0.66 3.66 -0.02 0.00 -1.14 -3.87 105.19 105.69 1lv1 n GLY 1052Ca 0.17 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1lv1 n GLY 1052CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lv1 s PHE 1053N -3.60 2.99 0.16 1.61 0.40 -1.26 0.09 117.98 118.37 1lv1 s PHE 1053Ca 0.00 0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.42 1lv1 s PHE 1053Cb 0.00 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 1lv1 s PHE 1053CO 0.00 0.45 -0.16 0.96 0.70 0.00 0.00 175.22 177.16 1lv1 s ILE 1054N -1.14 1.68 -0.20 0.64 -4.36 -0.01 -4.76 121.20 113.05 1lv1 s ILE 1054Ca 0.21 -1.92 -0.13 0.00 -0.26 0.00 0.00 60.65 58.55 1lv1 s ILE 1054Cb -0.11 -1.80 -0.05 0.00 1.25 0.00 0.00 42.46 41.75 1lv1 s ILE 1054CO 0.12 -0.39 0.27 -0.75 0.24 0.00 0.00 174.94 174.44 1lv1 s LYS 1055N -2.91 4.18 0.18 0.37 2.20 -1.26 -1.82 119.74 120.67 1lv1 s LYS 1055Ca 0.15 -0.00 0.05 0.00 -0.36 0.00 0.00 55.97 55.81 1lv1 s LYS 1055Cb -0.05 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1lv1 s LYS 1055CO 0.06 0.11 -0.09 0.14 -0.36 0.00 0.00 175.35 175.21 1lv1 s VAL 1056N 0.87 1.25 -0.20 4.02 -7.23 0.19 -4.46 120.40 114.84 1lv1 s VAL 1056Ca 0.14 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 1lv1 s VAL 1056Cb -0.13 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1lv1 s VAL 1056CO 0.05 -0.62 0.15 -0.13 -0.31 0.00 0.00 175.10 174.24 1lv1 s ARG 1057N -3.75 4.18 -0.20 4.82 0.52 0.12 -1.40 118.95 123.24 1lv1 s ARG 1057Ca 0.20 -0.19 -0.12 0.00 -0.52 0.00 0.00 55.73 55.10 1lv1 s ARG 1057Cb 0.03 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.01 1lv1 s ARG 1057CO 0.04 0.25 0.22 -1.14 0.02 0.00 0.00 175.30 174.68 1lv1 s GLN 1058N 0.49 4.18 -0.12 3.54 0.74 0.33 -0.42 119.66 128.41 1lv1 s GLN 1058Ca 0.09 -0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.44 1lv1 s GLN 1058Cb -0.12 -3.46 0.01 0.00 1.10 0.00 0.00 33.01 30.54 1lv1 s GLN 1058CO -0.00 0.19 -0.20 0.71 -0.55 0.00 0.00 175.29 175.44 1lv1 s TYR 1059N 0.66 2.37 0.32 1.67 1.51 -0.46 -1.27 117.35 122.15 1lv1 s TYR 1059Ca 0.12 -1.13 0.07 0.00 -1.01 0.00 0.00 57.07 55.12 1lv1 s TYR 1059Cb -0.13 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1lv1 s TYR 1059CO 0.02 -0.52 0.38 -0.51 -1.11 0.00 0.00 175.55 173.81 1lv1 s ASP 1060N 0.79 5.74 -1.32 2.29 1.11 -1.26 -0.64 116.67 123.38 1lv1 s ASP 1060Ca -0.09 -0.27 -0.01 0.00 0.18 0.00 0.00 52.55 52.36 1lv1 s ASP 1060Cb -0.16 -1.22 0.00 0.00 1.07 0.00 0.00 42.92 42.62 1lv1 s ASP 1060CO 0.00 -0.34 0.72 0.00 1.18 0.00 0.00 175.17 176.73 1lv1 n GLN 1061N -1.49 -4.97 -4.04 8.23 1.13 -1.19 -4.91 117.38 110.14 1lv1 n GLN 1061Ca -0.02 0.62 -0.35 0.00 -1.94 0.00 0.00 57.00 55.31 1lv1 n GLN 1061Cb 0.59 -5.20 -0.11 0.00 0.11 0.00 0.00 30.24 25.62 1lv1 n GLN 1061CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lv1 s ILE 1062N -3.65 4.44 0.12 5.09 -1.09 -0.10 -4.83 121.20 121.17 1lv1 s ILE 1062Ca 0.03 -0.15 -0.30 0.00 -2.23 0.00 0.00 60.65 58.00 1lv1 s ILE 1062Cb -0.02 -3.01 -0.06 0.00 -1.58 0.00 0.00 42.46 37.80 1lv1 s ILE 1062CO 0.81 0.44 1.00 -0.22 -1.23 0.00 0.00 174.94 175.74 1lv1 s LEU 1063N 0.69 4.48 -0.01 2.97 2.96 -1.26 -2.21 118.68 126.31 1lv1 s LEU 1063Ca 0.02 1.85 -0.01 0.00 -0.22 0.00 0.00 54.13 55.77 1lv1 s LEU 1063Cb -0.14 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1lv1 s LEU 1063CO 0.02 -0.12 0.02 -0.63 -1.32 0.00 0.00 176.35 174.32 1lv1 s ILE 1064N 0.05 -0.00 -0.27 6.68 1.01 0.25 -4.45 121.20 124.47 1lv1 s ILE 1064Ca 0.48 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 1lv1 s ILE 1064Cb -0.25 -0.05 0.01 0.00 0.01 0.00 0.00 42.46 42.19 1lv1 s ILE 1064CO 0.31 0.01 0.03 -1.61 0.00 0.00 0.00 174.94 173.68 1lv1 s GLU 1065N 0.08 3.07 -0.22 2.79 2.02 -0.62 -0.73 118.70 125.10 1lv1 s GLU 1065Ca -0.01 -0.85 -0.07 0.00 0.02 0.00 0.00 54.97 54.07 1lv1 s GLU 1065Cb -0.01 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 1lv1 s GLU 1065CO -0.00 -0.40 0.04 0.42 0.02 0.00 0.00 175.26 175.34 1lv1 s ILE 1066N 1.46 4.32 -1.23 -1.63 1.01 0.28 -1.51 121.20 123.89 1lv1 s ILE 1066Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 1lv1 s ILE 1066Cb -0.17 -2.98 0.11 0.00 0.01 0.00 0.00 42.46 39.43 1lv1 s ILE 1066CO 0.00 0.40 0.27 0.00 0.00 0.00 0.00 174.94 175.61 1lv1 n GLY 1068N -1.33 2.85 3.86 0.00 0.00 -1.26 -5.07 105.19 104.24 1lv1 n GLY 1068Ca -0.03 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 1lv1 n GLY 1068CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lv1 s HIS 1069N -0.88 3.50 0.21 1.61 3.76 0.12 -5.03 115.29 118.58 1lv1 s HIS 1069Ca 0.00 0.97 -0.04 0.00 -0.15 0.00 0.00 55.06 55.84 1lv1 s HIS 1069Cb 0.00 -2.32 -0.05 0.00 1.11 0.00 0.00 32.58 31.32 1lv1 s HIS 1069CO 0.00 0.33 0.45 0.15 -0.85 0.00 0.00 174.74 174.82 1lv1 s LYS 1070N -2.46 3.61 -0.12 1.40 1.02 -1.26 1.00 119.74 122.92 1lv1 s LYS 1070Ca 0.44 -0.11 -0.29 0.00 0.02 0.00 0.00 55.97 56.03 1lv1 s LYS 1070Cb -0.13 -2.77 0.08 0.00 -0.52 0.00 0.00 37.83 34.49 1lv1 s LYS 1070CO 0.20 0.36 0.74 0.00 -0.92 0.00 0.00 175.35 175.72 1lv1 s ALA 1071N -1.87 -1.80 -0.07 5.17 0.00 0.09 -4.92 121.76 118.37 1lv1 s ALA 1071Ca 0.42 1.54 0.05 0.00 0.00 0.00 0.00 51.96 53.97 1lv1 s ALA 1071Cb -0.11 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1lv1 s ALA 1071CO 0.27 -0.35 -0.22 0.42 0.00 0.00 0.00 175.76 175.88 1lv1 s ILE 1072N -0.73 1.84 0.00 0.00 1.01 -1.26 -0.58 121.20 121.48 1lv1 s ILE 1072Ca -0.07 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 1lv1 s ILE 1072Cb -0.01 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.89 1lv1 s ILE 1072CO 0.06 0.51 0.31 0.61 0.00 0.00 0.00 174.94 176.44 1lv1 n GLY 1073N 3.26 0.64 3.75 6.18 0.00 -0.94 -4.89 105.19 113.19 1lv1 n GLY 1073Ca -0.19 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 1lv1 n GLY 1073CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lv1 s THR 1074N -2.18 4.46 -0.04 2.61 2.01 -1.26 -0.93 115.64 120.32 1lv1 s THR 1074Ca 0.07 1.87 0.03 0.00 0.31 0.00 0.00 61.69 63.97 1lv1 s THR 1074Cb -0.00 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1lv1 s THR 1074CO 0.00 0.41 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.51 1lv1 s VAL 1075N -0.47 1.15 -0.12 3.82 1.01 0.19 -4.59 120.40 121.39 1lv1 s VAL 1075Ca 0.41 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1lv1 s VAL 1075Cb -0.23 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1lv1 s VAL 1075CO 0.27 0.34 0.04 -0.76 0.00 0.00 0.00 175.10 174.99 1lv1 s LEU 1076N 0.16 3.75 -0.12 3.92 1.43 -0.02 -1.35 118.68 126.45 1lv1 s LEU 1076Ca -0.05 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1lv1 s LEU 1076Cb -0.11 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.23 1lv1 s LEU 1076CO 0.02 0.33 -0.23 -0.69 0.23 0.00 0.00 176.35 176.01 1lv1 s VAL 1077N -0.57 2.06 0.00 -1.59 1.01 0.44 0.02 120.40 121.76 1lv1 s VAL 1077Ca 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1lv1 s VAL 1077Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1lv1 s VAL 1077CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1lv1 n GLY 1078N 3.86 1.35 3.57 4.51 0.00 -0.71 0.13 105.19 117.90 1lv1 n GLY 1078Ca -0.20 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 1lv1 n GLY 1078CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lv1 s PRO 1079N -1.46 3.66 0.04 1.61 0.04 -1.26 -3.23 135.00 134.39 1lv1 s PRO 1079Ca 0.00 -1.48 0.03 0.00 0.04 0.00 0.00 61.00 59.60 1lv1 s PRO 1079Cb 0.00 -5.42 -0.04 0.00 0.04 0.00 0.00 34.50 29.08 1lv1 s PRO 1079CO 0.00 -2.39 -0.02 0.99 0.04 0.00 0.00 177.00 175.62 1lv1 s THR 1080N 5.22 3.92 0.04 1.26 2.01 -1.26 -4.79 115.64 122.04 1lv1 s THR 1080Ca 0.52 -0.83 0.25 0.00 0.31 0.00 0.00 61.69 61.94 1lv1 s THR 1080Cb 0.01 -2.78 0.25 0.00 0.01 0.00 0.00 72.50 69.99 1lv1 s THR 1080CO -0.00 0.27 1.79 1.55 -0.69 0.00 0.00 174.62 177.54 1lv1 h PRO 1081N 4.02 0.00 -3.19 4.92 0.13 -1.93 -3.45 132.00 132.51 1lv1 h PRO 1081Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1lv1 h PRO 1081Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 1lv1 h PRO 1081CO 0.57 0.19 -0.26 0.14 -0.23 0.00 0.00 178.00 178.41 1lv1 s VAL 1082N -3.54 0.07 0.12 1.56 -7.23 -1.26 -5.10 120.40 105.02 1lv1 s VAL 1082Ca 0.02 -0.59 -0.31 0.00 -1.81 0.00 0.00 61.98 59.28 1lv1 s VAL 1082Cb 0.09 -0.80 -0.08 0.00 0.56 0.00 0.00 36.38 36.15 1lv1 s VAL 1082CO 0.63 -0.33 1.36 0.20 -0.31 0.00 0.00 175.10 176.66 1lv1 s ASN 1083N -1.75 6.86 -0.10 4.85 0.01 -1.26 -4.74 114.94 118.81 1lv1 s ASN 1083Ca -0.09 2.30 0.04 0.00 -0.71 0.00 0.00 52.86 54.40 1lv1 s ASN 1083Cb -0.03 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 1lv1 s ASN 1083CO -0.00 -0.62 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.12 1lv1 s ILE 1084N 0.98 2.22 -0.32 0.60 -1.09 0.13 -0.38 121.20 123.33 1lv1 s ILE 1084Ca 0.63 -0.97 -0.07 0.00 -2.23 0.00 0.00 60.65 58.01 1lv1 s ILE 1084Cb -0.36 -1.85 0.02 0.00 -1.58 0.00 0.00 42.46 38.69 1lv1 s ILE 1084CO 0.31 0.56 0.10 -0.63 -1.23 0.00 0.00 174.94 174.05 1lv1 s ILE 1085N 0.27 3.93 0.40 2.92 -1.09 -0.17 -1.72 121.20 125.74 1lv1 s ILE 1085Ca -0.16 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.34 1lv1 s ILE 1085Cb -0.17 -3.13 0.08 0.00 -1.58 0.00 0.00 42.46 37.66 1lv1 s ILE 1085CO 0.08 -0.07 0.54 0.61 -1.23 0.00 0.00 174.94 174.88 1lv1 n GLY 1086N 4.85 0.57 0.31 6.18 0.00 -1.09 -1.18 105.19 114.84 1lv1 n GLY 1086Ca -0.13 -1.98 0.19 0.00 0.00 0.00 0.00 46.02 44.10 1lv1 n GLY 1086CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1lv1 h ARG 1087N 0.00 0.00 0.00 1.61 3.08 -0.62 -1.99 114.38 116.46 1lv1 h ARG 1087Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1lv1 h ARG 1087Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1lv1 h ARG 1087CO 0.19 0.02 0.00 -2.95 -1.07 0.00 0.00 179.97 176.16 1lv1 h ASN 1088N 0.00 0.00 0.00 7.04 -1.07 -1.74 -2.83 115.58 116.98 1lv1 h ASN 1088Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.27 1lv1 h ASN 1088Cb 0.18 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.41 1lv1 h ASN 1088CO 0.00 0.00 -1.36 0.18 0.07 0.00 0.00 177.43 176.32 1lv1 n LEU 1089N -2.47 0.66 0.08 6.14 4.77 -0.99 -4.48 117.00 120.72 1lv1 n LEU 1089Ca 0.01 -0.01 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 1lv1 n LEU 1089Cb 0.22 0.05 0.46 0.00 -2.33 0.00 0.00 43.42 41.82 1lv1 n LEU 1089CO 0.20 0.23 1.08 -0.07 -1.33 0.00 0.00 177.39 177.51 1lv1 h LEU 1090N 0.00 0.32 -0.75 2.23 3.38 -1.38 -1.09 115.31 118.02 1lv1 h LEU 1090Ca -0.14 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1lv1 h LEU 1090Cb 1.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1lv1 h LEU 1090CO 0.00 0.28 -0.35 0.71 0.09 0.00 0.00 178.44 179.17 1lv1 h THR 1091N 0.36 1.29 0.00 0.22 1.35 -1.75 -1.63 112.91 112.76 1lv1 h THR 1091Ca 0.09 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 1lv1 h THR 1091Cb 0.05 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1lv1 h THR 1091CO -0.01 0.47 0.00 1.56 -0.25 0.00 0.00 175.52 177.28 1lv1 h GLN 1092N 0.46 0.00 -0.20 4.72 4.20 -1.42 -2.22 115.11 120.65 1lv1 h GLN 1092Ca 0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1lv1 h GLN 1092Cb 0.83 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.55 1lv1 h GLN 1092CO 0.07 0.00 -0.22 0.44 -0.67 0.00 0.00 178.83 178.45 1lv1 n ILE 1093N -2.54 2.37 -4.09 2.54 -5.35 -1.08 -4.97 119.36 106.22 1lv1 n ILE 1093Ca 0.01 -2.83 -0.31 0.00 -0.27 0.00 0.00 62.75 59.34 1lv1 n ILE 1093Cb 0.20 -0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 37.79 1lv1 n ILE 1093CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lv1 n GLY 1094N -1.11 -0.33 3.69 3.28 0.00 -0.83 -4.79 105.19 105.11 1lv1 n GLY 1094Ca 0.26 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 1lv1 n GLY 1094CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lv1 s ALA 1095N -3.66 3.37 0.31 4.61 0.00 -0.63 -4.45 121.76 121.31 1lv1 s ALA 1095Ca 0.36 0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.65 1lv1 s ALA 1095Cb -0.20 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1lv1 s ALA 1095CO 0.91 -0.40 -0.05 0.95 0.00 0.00 0.00 175.76 177.17 1lv1 s THR 1096N 1.49 2.69 -0.21 0.00 -4.23 0.15 -4.24 115.64 111.29 1lv1 s THR 1096Ca 0.43 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1lv1 s THR 1096Cb -0.18 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 71.01 1lv1 s THR 1096CO 0.18 -0.27 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.62 1lv1 s LEU 1097N -3.65 2.66 -0.08 4.79 2.96 0.78 -1.87 118.68 124.27 1lv1 s LEU 1097Ca 0.33 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1lv1 s LEU 1097Cb -0.02 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1lv1 s LEU 1097CO 0.18 -0.07 -0.17 0.20 -1.32 0.00 0.00 176.35 175.18 1lv1 s ASN 1098N 1.27 3.74 0.00 3.68 -0.87 -0.64 0.23 114.94 122.35 1lv1 s ASN 1098Ca 0.01 -0.34 0.00 0.00 -1.57 0.00 0.00 52.86 50.96 1lv1 s ASN 1098Cb -0.15 -1.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.93 1lv1 s ASN 1098CO -0.09 0.25 0.00 2.22 -2.57 0.00 0.00 177.10 176.91