#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c39 h LYS 4 N 0.00 0.00 0.00 5.31 1.57 -2.03 -3.49 116.57 117.92 1c39 h LYS 4 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 1c39 h LYS 4 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 1c39 h LYS 4 CO 0.00 0.64 -0.34 -2.37 -0.57 0.00 0.00 179.45 176.80 1c39 n THR 5 N -3.14 0.00 -1.74 -0.16 5.66 -1.26 -4.61 114.28 109.04 1c39 n THR 5 Ca -0.09 -1.74 -0.42 0.00 -3.05 0.00 0.00 64.05 58.76 1c39 n THR 5 Cb 0.96 0.56 -0.01 0.00 -1.55 0.00 0.00 70.33 70.30 1c39 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1c39 s ASP 7 N -0.05 3.96 0.32 0.00 3.68 -0.58 -5.00 116.67 119.01 1c39 s ASP 7 Ca 0.57 -0.38 0.03 0.00 2.13 0.00 0.00 52.55 54.90 1c39 s ASP 7 Cb -0.52 -1.62 -0.02 0.00 -1.45 0.00 0.00 42.92 39.30 1c39 s ASP 7 CO 0.60 0.10 0.48 -0.76 0.13 0.00 0.00 175.17 175.72 1c39 s LEU 8 N 0.71 4.08 0.34 -1.34 1.43 -1.26 -1.68 118.68 120.96 1c39 s LEU 8 Ca -0.06 0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 52.93 1c39 s LEU 8 Cb -0.15 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.95 1c39 s LEU 8 CO 0.02 -0.28 1.28 0.54 0.23 0.00 0.00 176.35 178.14 1c39 s VAL 9 N -2.19 2.80 0.00 -1.59 0.11 -1.26 -4.83 120.40 113.44 1c39 s VAL 9 Ca 0.40 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 1c39 s VAL 9 Cb -0.09 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 1c39 s VAL 9 CO 0.33 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1c39 n GLY 10 N 0.80 2.69 3.69 6.54 0.00 -1.26 -4.57 105.19 113.09 1c39 n GLY 10 Ca 0.01 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 1c39 n GLY 10 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1c39 n GLU 11 N 1.38 1.17 -1.70 1.61 4.07 -1.26 -4.63 120.64 121.28 1c39 n GLU 11 Ca 0.00 0.45 -0.56 0.00 -0.06 0.00 0.00 57.16 56.99 1c39 n GLU 11 Cb 0.00 -2.42 -0.07 0.00 -0.06 0.00 0.00 31.44 28.89 1c39 n GLU 11 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1c39 n LYS 12 N -1.39 1.22 0.00 5.31 4.81 -1.26 -0.03 118.16 126.82 1c39 n LYS 12 Ca 0.14 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1c39 n LYS 12 Cb 0.47 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1c39 n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1c39 n GLY 13 N 4.06 2.52 1.35 3.14 0.00 -1.26 -4.88 105.19 110.12 1c39 n GLY 13 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 1c39 n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c39 n LYS 14 N -0.68 2.32 -3.38 1.61 5.02 0.96 -5.01 118.16 119.01 1c39 n LYS 14 Ca 0.00 -3.08 -0.28 0.00 -2.02 0.00 0.00 58.31 52.94 1c39 n LYS 14 Cb 0.00 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.06 1c39 n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1c39 s GLU 15 N -3.14 3.59 0.09 1.97 2.02 -1.25 -4.63 118.70 117.35 1c39 s GLU 15 Ca 0.47 -0.10 -0.31 0.00 0.02 0.00 0.00 54.97 55.05 1c39 s GLU 15 Cb 0.41 -2.67 -0.08 0.00 0.10 0.00 0.00 34.13 31.89 1c39 s GLU 15 CO 0.05 0.22 1.44 0.45 0.02 0.00 0.00 175.26 177.44 1c39 s SER 16 N -3.34 6.78 0.43 -0.19 0.15 -1.26 -4.90 113.70 111.37 1c39 s SER 16 Ca 0.42 2.33 0.15 0.00 0.70 0.00 0.00 55.95 59.55 1c39 s SER 16 Cb -0.11 -2.58 0.95 0.00 -1.71 0.00 0.00 66.02 62.58 1c39 s SER 16 CO 0.31 -0.71 1.95 -0.33 1.20 0.00 0.00 173.24 175.66 1c39 h GLU 17 N 7.20 0.00 -0.11 5.44 4.39 -1.99 -1.89 114.58 127.62 1c39 h GLU 17 Ca -0.41 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 1c39 h GLU 17 Cb 1.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1c39 h GLU 17 CO 0.89 0.23 -0.01 0.87 -1.16 0.00 0.00 179.01 179.83 1c39 h LYS 18 N 0.00 0.20 -0.43 2.33 1.57 -1.99 -2.15 116.57 116.11 1c39 h LYS 18 Ca -0.00 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1c39 h LYS 18 Cb 0.42 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1c39 h LYS 18 CO 0.03 0.47 0.11 0.93 -0.57 0.00 0.00 179.45 180.42 1c39 h GLU 19 N -0.09 0.68 -0.50 3.15 5.08 -1.76 -2.20 114.58 118.94 1c39 h GLU 19 Ca 0.03 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1c39 h GLU 19 Cb 0.38 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1c39 h GLU 19 CO 0.01 0.68 0.25 -0.07 -1.00 0.00 0.00 179.01 178.88 1c39 h LEU 20 N 0.55 0.36 -1.19 1.33 3.38 -1.36 -1.09 115.31 117.29 1c39 h LEU 20 Ca 0.13 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1c39 h LEU 20 Cb 0.30 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1c39 h LEU 20 CO 0.00 0.25 0.21 0.00 0.09 0.00 0.00 178.44 178.99 1c39 h ALA 21 N 1.27 1.37 -0.49 1.53 0.00 -1.26 -2.49 119.26 119.19 1c39 h ALA 21 Ca 0.22 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1c39 h ALA 21 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1c39 h ALA 21 CO -0.16 0.48 -0.14 -0.07 0.00 0.00 0.00 179.25 179.36 1c39 h LEU 22 N 0.76 0.93 -0.51 0.00 3.38 -0.64 -1.81 115.31 117.42 1c39 h LEU 22 Ca 0.18 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1c39 h LEU 22 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1c39 h LEU 22 CO -0.02 1.07 0.24 -0.07 0.09 0.00 0.00 178.44 179.76 1c39 h LEU 23 N 0.82 0.67 -0.91 1.67 3.38 -0.94 -2.28 115.31 117.72 1c39 h LEU 23 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c39 h LEU 23 Cb 0.68 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1c39 h LEU 23 CO 0.05 0.61 0.59 0.11 0.09 0.00 0.00 178.44 179.89 1c39 h LYS 24 N 0.68 1.21 -0.17 1.13 1.57 -1.29 -2.00 116.57 117.69 1c39 h LYS 24 Ca 0.17 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1c39 h LYS 24 Cb 0.12 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1c39 h LYS 24 CO -0.02 0.82 0.08 -0.09 -0.57 0.00 0.00 179.45 179.66 1c39 h ARG 25 N 1.24 0.23 -0.23 3.15 2.43 -0.82 -1.89 114.38 118.49 1c39 h ARG 25 Ca 0.33 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1c39 h ARG 25 Cb -0.12 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1c39 h ARG 25 CO -0.07 0.18 0.00 1.28 -1.51 0.00 0.00 179.97 179.85 1c39 n LEU 26 N -4.48 1.91 -0.33 3.80 4.77 -0.77 -4.48 117.00 117.42 1c39 n LEU 26 Ca -0.00 -0.83 0.14 0.00 -0.03 0.00 0.00 56.01 55.28 1c39 n LEU 26 Cb 0.10 -0.15 0.33 0.00 -2.33 0.00 0.00 43.42 41.38 1c39 n LEU 26 CO 0.35 0.41 1.12 0.74 -1.33 0.00 0.00 177.39 178.69 1c39 h THR 27 N 2.44 0.57 -0.05 -5.08 2.02 -1.10 -0.47 112.91 111.24 1c39 h THR 27 Ca 0.00 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1c39 h THR 27 Cb 0.54 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1c39 h THR 27 CO 0.00 0.10 0.15 -0.65 0.37 0.00 0.00 175.52 175.49 1c39 h PRO 28 N 0.56 0.00 0.00 6.66 0.11 -1.83 -1.92 132.00 135.58 1c39 h PRO 28 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1c39 h PRO 28 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1c39 h PRO 28 CO -0.46 0.00 -0.66 -0.07 -0.21 0.00 0.00 178.00 176.60 1c39 h LEU 29 N 0.00 0.00 -0.80 2.35 3.38 -1.43 -3.39 115.31 115.42 1c39 h LEU 29 Ca 0.02 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1c39 h LEU 29 Cb 0.32 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.94 1c39 h LEU 29 CO -0.00 0.01 0.15 -0.26 0.09 0.00 0.00 178.44 178.44 1c39 h PHE 30 N 0.00 0.22 0.00 1.13 -1.00 -1.41 0.05 116.94 115.92 1c39 h PHE 30 Ca 0.00 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1c39 h PHE 30 Cb 0.96 0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.56 1c39 h PHE 30 CO 0.00 -0.18 0.00 0.00 -1.61 0.00 0.00 178.31 176.52 1c39 n GLN 31 N -5.23 0.77 -2.97 1.51 0.00 -1.26 -4.62 117.38 105.57 1c39 n GLN 31 Ca 0.17 0.01 -0.23 0.00 0.00 0.00 0.00 57.00 56.95 1c39 n GLN 31 Cb 0.55 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.30 1c39 n GLN 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1c39 s LYS 32 N -2.09 3.04 0.00 2.61 1.02 0.00 -5.11 119.74 119.21 1c39 s LYS 32 Ca 0.38 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.87 1c39 s LYS 32 Cb 0.18 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1c39 s LYS 32 CO 0.33 -0.29 -0.05 0.45 -0.92 0.00 0.00 175.35 174.87 1c39 s SER 33 N -4.23 0.61 -0.01 2.83 0.15 -1.26 -4.58 113.70 107.21 1c39 s SER 33 Ca 0.49 -0.13 0.04 0.00 0.70 0.00 0.00 55.95 57.04 1c39 s SER 33 Cb -0.10 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.15 1c39 s SER 33 CO 0.38 0.03 -0.12 -0.36 1.20 0.00 0.00 173.24 174.38 1c39 s PHE 34 N -0.24 1.04 0.05 3.44 0.40 -0.42 -5.01 117.98 117.24 1c39 s PHE 34 Ca 0.01 -0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.08 1c39 s PHE 34 Cb -0.03 -0.67 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 1c39 s PHE 34 CO -0.00 -0.02 0.11 -1.83 0.70 0.00 0.00 175.22 174.17 1c39 s GLU 35 N -0.25 0.63 -0.22 0.44 4.04 -1.26 -0.43 118.70 121.65 1c39 s GLU 35 Ca 0.04 -0.80 -0.14 0.00 0.04 0.00 0.00 54.97 54.10 1c39 s GLU 35 Cb -0.05 0.25 0.07 0.00 0.02 0.00 0.00 34.13 34.42 1c39 s GLU 35 CO -0.00 -0.17 0.55 0.45 -1.84 0.00 0.00 175.26 174.26 1c39 s SER 36 N -2.28 -0.70 -0.17 0.83 0.15 -0.53 -4.94 113.70 106.07 1c39 s SER 36 Ca -0.03 1.19 -0.06 0.00 0.70 0.00 0.00 55.95 57.76 1c39 s SER 36 Cb 0.00 1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 65.38 1c39 s SER 36 CO -0.06 -0.21 0.02 -0.89 1.20 0.00 0.00 173.24 173.30 1c39 s THR 37 N 1.24 4.41 0.10 6.45 2.01 -1.26 -0.40 115.64 128.19 1c39 s THR 37 Ca -0.08 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1c39 s THR 37 Cb -0.06 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1c39 s THR 37 CO -0.12 0.48 0.07 0.68 -0.69 0.00 0.00 174.62 175.03 1c39 s VAL 38 N 0.33 0.14 0.02 3.82 -7.23 -0.33 -4.98 120.40 112.17 1c39 s VAL 38 Ca 0.00 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1c39 s VAL 38 Cb -0.13 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1c39 s VAL 38 CO 0.01 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 1c39 n GLY 39 N -0.04 -2.35 3.52 2.32 0.00 -1.26 -1.04 105.19 106.35 1c39 n GLY 39 Ca -0.10 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 1c39 n GLY 39 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1c39 s GLN 40 N -2.60 1.86 0.45 1.61 0.00 -1.26 -4.36 119.66 115.36 1c39 s GLN 40 Ca 0.00 -1.66 -0.22 0.00 -0.00 0.00 0.00 55.36 53.48 1c39 s GLN 40 Cb 0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 33.01 31.01 1c39 s GLN 40 CO 0.00 0.34 0.70 0.43 0.00 0.00 0.00 175.29 176.77 1c39 n SER 41 N -0.68 -0.18 -1.26 12.60 7.64 -1.26 -1.05 113.62 129.43 1c39 n SER 41 Ca -0.06 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1c39 n SER 41 Cb 0.60 -1.21 0.17 0.00 -1.01 0.00 0.00 64.21 62.76 1c39 n SER 41 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1c39 n PRO 42 N 0.26 2.63 -1.79 1.43 -0.04 -1.26 -4.88 135.00 131.35 1c39 n PRO 42 Ca 0.11 -1.50 -0.24 0.00 -0.04 0.00 0.00 63.50 61.83 1c39 n PRO 42 Cb 0.41 -1.81 0.05 0.00 -0.04 0.00 0.00 33.50 32.11 1c39 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1c39 n ASP 43 N 0.18 5.21 -4.70 3.54 8.00 -0.21 -4.88 116.55 123.69 1c39 n ASP 43 Ca 0.16 -3.77 -0.41 0.00 0.71 0.00 0.00 54.79 51.49 1c39 n ASP 43 Cb 0.78 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1c39 n ASP 43 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1c39 s MET 44 N -3.61 4.43 0.19 -1.24 1.75 -1.20 -4.17 119.30 115.44 1c39 s MET 44 Ca 0.53 1.13 0.08 0.00 -1.25 0.00 0.00 55.69 56.17 1c39 s MET 44 Cb 0.43 -3.50 -0.04 0.00 2.84 0.00 0.00 34.83 34.55 1c39 s MET 44 CO 0.02 -0.12 -0.15 0.71 -0.65 0.00 0.00 175.02 174.83 1c39 s TYR 45 N 1.38 1.70 -0.18 4.11 1.51 -0.21 -2.11 117.35 123.55 1c39 s TYR 45 Ca 0.43 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1c39 s TYR 45 Cb -0.18 -0.81 0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1c39 s TYR 45 CO 0.19 0.33 -0.11 0.45 -1.11 0.00 0.00 175.55 175.30 1c39 s SER 46 N -3.07 3.19 -0.21 2.29 0.15 -0.61 -1.18 113.70 114.26 1c39 s SER 46 Ca 0.19 -0.78 -0.11 0.00 0.70 0.00 0.00 55.95 55.96 1c39 s SER 46 Cb -0.02 -1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.04 1c39 s SER 46 CO 0.06 -0.13 0.17 -0.31 1.20 0.00 0.00 173.24 174.23 1c39 s TYR 47 N 1.43 3.38 -0.18 3.44 1.51 0.46 -0.51 117.35 126.88 1c39 s TYR 47 Ca 0.00 0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 1c39 s TYR 47 Cb -0.15 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 1c39 s TYR 47 CO -0.09 0.19 -0.17 0.08 -1.11 0.00 0.00 175.55 174.46 1c39 s VAL 48 N 0.65 2.35 -0.04 0.71 1.01 -0.58 -1.45 120.40 123.06 1c39 s VAL 48 Ca 0.09 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1c39 s VAL 48 Cb -0.12 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1c39 s VAL 48 CO 0.01 0.52 -0.21 0.12 0.00 0.00 0.00 175.10 175.54 1c39 s PHE 49 N 1.21 2.01 0.02 5.22 5.36 0.42 -1.19 117.98 131.03 1c39 s PHE 49 Ca 0.03 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.45 1c39 s PHE 49 Cb -0.14 -1.33 -0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1c39 s PHE 49 CO -0.09 -0.16 -0.04 1.03 -1.46 0.00 0.00 175.22 174.50 1c39 s ARG 50 N -0.14 0.34 -0.42 10.12 0.52 -0.70 -1.30 118.95 127.37 1c39 s ARG 50 Ca -0.01 -0.54 -0.20 0.00 -0.52 0.00 0.00 55.73 54.45 1c39 s ARG 50 Cb -0.12 -0.05 0.02 0.00 0.52 0.00 0.00 34.95 35.32 1c39 s ARG 50 CO 0.02 -0.00 0.60 0.08 0.02 0.00 0.00 175.30 176.01 1c39 s VAL 51 N -1.16 4.89 -1.84 3.52 1.01 -1.26 -4.37 120.40 121.19 1c39 s VAL 51 Ca -0.11 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1c39 s VAL 51 Cb -0.08 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1c39 s VAL 51 CO -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 175.10 174.60 1c39 s ARG 53 N -4.31 0.49 0.15 0.00 1.81 -1.26 -4.09 118.95 111.73 1c39 s ARG 53 Ca 0.00 -0.94 -0.31 0.00 -1.72 0.00 0.00 55.73 52.76 1c39 s ARG 53 Cb 0.00 0.12 -0.11 0.00 -0.45 0.00 0.00 34.95 34.51 1c39 s ARG 53 CO 0.00 -0.07 1.82 -2.00 -0.68 0.00 0.00 175.30 174.37 1c39 s GLU 54 N -2.72 4.13 0.00 3.54 2.56 -1.26 -4.58 118.70 120.37 1c39 s GLU 54 Ca -0.04 2.61 0.09 0.00 0.00 0.00 0.00 54.97 57.63 1c39 s GLU 54 Cb -0.01 -3.48 -0.02 0.00 2.00 0.00 0.00 34.13 32.63 1c39 s GLU 54 CO -0.05 -0.83 0.55 0.00 -0.56 0.00 0.00 175.26 174.36 1c39 n ALA 55 N 5.30 2.81 -3.12 6.30 0.00 -0.12 -4.97 120.51 126.71 1c39 n ALA 55 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1c39 n ALA 55 Cb 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1c39 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c39 n GLY 56 N 0.90 2.30 0.08 0.00 0.00 -1.26 -4.78 105.19 102.43 1c39 n GLY 56 Ca 0.03 -2.14 0.07 0.00 0.00 0.00 0.00 46.02 43.98 1c39 n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1c39 n GLN 57 N -0.82 1.54 -0.10 1.61 6.02 -1.26 -4.68 117.38 119.69 1c39 n GLN 57 Ca 0.00 -2.17 0.04 0.00 -0.01 0.00 0.00 57.00 54.86 1c39 n GLN 57 Cb 0.00 -1.29 0.06 0.00 1.02 0.00 0.00 30.24 30.03 1c39 n GLN 57 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1c39 n HIS 58 N -1.09 0.00 -4.01 1.08 8.25 -1.26 -5.00 115.22 113.19 1c39 n HIS 58 Ca 0.11 -0.58 -0.33 0.00 -0.26 0.00 0.00 57.72 56.66 1c39 n HIS 58 Cb 0.55 -0.09 -0.00 0.00 1.12 0.00 0.00 29.99 31.58 1c39 n HIS 58 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1c39 n SER 59 N -0.77 -4.08 -0.49 0.41 7.64 -1.26 -4.85 113.62 110.21 1c39 n SER 59 Ca 0.07 -0.85 0.12 0.00 1.01 0.00 0.00 58.87 59.22 1c39 n SER 59 Cb 0.51 -3.29 0.25 0.00 -1.01 0.00 0.00 64.21 60.67 1c39 n SER 59 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1c39 n SER 60 N -2.70 1.76 0.00 6.43 3.41 -1.26 -4.94 113.62 116.32 1c39 n SER 60 Ca 0.06 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1c39 n SER 60 Cb 0.51 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1c39 n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c39 n GLY 61 N 1.33 0.77 3.70 5.00 0.00 -1.26 -5.01 105.19 109.72 1c39 n GLY 61 Ca 0.13 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1c39 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c39 s ALA 62 N -2.00 3.51 -0.16 4.61 0.00 -1.26 -2.08 121.76 124.38 1c39 s ALA 62 Ca 0.00 0.85 0.22 0.00 0.00 0.00 0.00 51.96 53.03 1c39 s ALA 62 Cb 0.00 -3.53 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 1c39 s ALA 62 CO 0.00 -0.70 0.84 0.41 0.00 0.00 0.00 175.76 176.31 1c39 n GLY 63 N 3.44 -1.30 3.44 0.00 0.00 0.11 -0.95 105.19 109.92 1c39 n GLY 63 Ca 0.11 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1c39 n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c39 s LEU 64 N -5.07 -0.52 0.20 0.99 0.20 -1.06 -1.73 118.68 111.69 1c39 s LEU 64 Ca -0.03 1.19 0.08 0.00 0.69 0.00 0.00 54.13 56.06 1c39 s LEU 64 Cb 0.11 1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 47.65 1c39 s LEU 64 CO 0.83 -0.22 -0.16 0.68 -0.29 0.00 0.00 176.35 177.20 1c39 s VAL 65 N 1.61 1.80 -0.12 1.68 -7.23 -0.33 -1.20 120.40 116.61 1c39 s VAL 65 Ca -0.09 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 57.95 1c39 s VAL 65 Cb -0.07 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.87 1c39 s VAL 65 CO -0.16 -0.52 -0.20 -1.58 -0.31 0.00 0.00 175.10 172.33 1c39 s GLN 66 N -3.44 2.70 -0.26 4.82 0.74 0.13 -1.53 119.66 122.83 1c39 s GLN 66 Ca 0.21 -0.74 -0.03 0.00 0.05 0.00 0.00 55.36 54.85 1c39 s GLN 66 Cb -0.02 -2.18 0.02 0.00 1.10 0.00 0.00 33.01 31.93 1c39 s GLN 66 CO 0.07 0.01 -0.03 0.42 -0.55 0.00 0.00 175.29 175.22 1c39 s ILE 67 N 0.77 3.17 -0.44 -2.34 1.01 0.33 0.14 121.20 123.85 1c39 s ILE 67 Ca -0.10 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.38 1c39 s ILE 67 Cb -0.16 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1c39 s ILE 67 CO 0.01 0.19 1.97 -1.10 0.00 0.00 0.00 174.94 176.01 1c39 s GLN 68 N 1.38 2.86 0.33 2.79 1.11 0.14 -1.57 119.66 126.70 1c39 s GLN 68 Ca 0.01 1.22 0.05 0.00 0.01 0.00 0.00 55.36 56.65 1c39 s GLN 68 Cb -0.17 -4.35 0.68 0.00 -1.01 0.00 0.00 33.01 28.17 1c39 s GLN 68 CO -0.03 -2.42 1.89 0.87 0.01 0.00 0.00 175.29 175.60 1c39 h LYS 69 N 14.99 0.82 0.06 2.91 1.79 -1.74 0.47 116.57 135.87 1c39 h LYS 69 Ca -0.30 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.14 1c39 h LYS 69 Cb 1.19 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 31.62 1c39 h LYS 69 CO 1.11 0.54 -0.27 0.77 -1.08 0.00 0.00 179.45 180.52 1c39 h SER 70 N 0.84 -0.79 -0.09 0.86 0.02 -1.89 -3.28 113.55 109.22 1c39 h SER 70 Ca 0.42 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1c39 h SER 70 Cb 0.48 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1c39 h SER 70 CO -0.19 -0.35 0.00 -0.46 -1.14 0.00 0.00 176.83 174.69 1c39 n ASN 71 N -5.38 2.72 -2.96 3.07 6.94 -1.12 -4.99 115.26 113.54 1c39 n ASN 71 Ca -0.06 -2.79 -0.21 0.00 -0.02 0.00 0.00 54.58 51.51 1c39 n ASN 71 Cb 0.30 -0.37 0.01 0.00 -2.36 0.00 0.00 39.78 37.36 1c39 n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1c39 n GLY 72 N -0.88 -0.50 3.71 4.83 0.00 0.16 -4.94 105.19 107.58 1c39 n GLY 72 Ca 0.14 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1c39 n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c39 s LYS 73 N -5.61 4.46 -0.26 1.61 2.36 -1.09 -4.81 119.74 116.39 1c39 s LYS 73 Ca 0.25 1.10 -0.08 0.00 -2.55 0.00 0.00 55.97 54.69 1c39 s LYS 73 Cb -0.12 -3.47 -0.02 0.00 -1.05 0.00 0.00 37.83 33.17 1c39 s LYS 73 CO 0.30 -0.04 0.09 -2.00 1.55 0.00 0.00 175.35 175.25 1c39 s GLU 74 N 1.09 3.57 -0.11 4.03 2.12 -1.26 0.28 118.70 128.42 1c39 s GLU 74 Ca 0.43 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 55.23 1c39 s GLU 74 Cb -0.19 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 1c39 s GLU 74 CO 0.21 -0.24 -0.15 0.99 -0.54 0.00 0.00 175.26 175.52 1c39 s THR 75 N 1.61 2.89 -0.27 -1.70 2.01 0.12 -4.94 115.64 115.35 1c39 s THR 75 Ca 0.06 -0.73 -0.28 0.00 0.31 0.00 0.00 61.69 61.05 1c39 s THR 75 Cb -0.16 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.18 1c39 s THR 75 CO 0.04 0.54 1.00 -0.69 -0.69 0.00 0.00 174.62 174.82 1c39 s VAL 76 N 0.21 4.65 0.00 3.82 1.01 -1.26 0.20 120.40 129.03 1c39 s VAL 76 Ca -0.09 1.78 0.02 0.00 0.00 0.00 0.00 61.98 63.68 1c39 s VAL 76 Cb -0.16 -4.31 -0.26 0.00 0.00 0.00 0.00 36.38 31.66 1c39 s VAL 76 CO 0.06 -0.28 0.85 0.58 0.00 0.00 0.00 175.10 176.30 1c39 h VAL 77 N 5.56 1.14 -1.83 2.92 2.07 -1.50 0.18 116.25 124.79 1c39 h VAL 77 Ca -0.21 -2.84 0.00 0.00 0.82 0.00 0.00 66.70 64.47 1c39 h VAL 77 Cb 1.07 2.68 -0.21 0.00 -1.52 0.00 0.00 31.29 33.31 1c39 h VAL 77 CO 0.98 0.77 0.34 -0.83 0.02 0.00 0.00 177.57 178.85 1c39 s GLY 78 N -4.99 -0.45 -0.09 2.17 0.00 -1.12 -2.09 107.32 100.75 1c39 s GLY 78 Ca -0.07 1.60 0.01 0.00 0.00 0.00 0.00 44.72 46.26 1c39 s GLY 78 CO 0.84 0.97 -0.12 0.50 0.00 0.00 0.00 173.10 175.29 1c39 s ARG 79 N -1.21 2.94 0.00 2.90 0.52 -0.20 0.03 118.95 123.94 1c39 s ARG 79 Ca -0.07 -0.65 0.15 0.00 -0.52 0.00 0.00 55.73 54.64 1c39 s ARG 79 Cb -0.00 -2.55 0.77 0.00 0.52 0.00 0.00 34.95 33.69 1c39 s ARG 79 CO 0.06 0.46 1.41 1.97 0.02 0.00 0.00 175.30 179.22 1c39 n PHE 80 N 2.80 0.00 1.57 -0.53 1.16 -0.88 -1.93 117.46 119.65 1c39 n PHE 80 Ca -0.18 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.55 1c39 n PHE 80 Cb 0.53 -0.26 0.70 0.00 -1.61 0.00 0.00 39.48 38.84 1c39 n PHE 80 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1c39 n ASN 81 N -1.26 0.42 -3.25 5.98 6.94 -1.26 -1.52 115.26 121.30 1c39 n ASN 81 Ca 0.07 -0.74 -0.25 0.00 -0.02 0.00 0.00 54.58 53.65 1c39 n ASN 81 Cb 0.11 -0.07 -0.07 0.00 -2.36 0.00 0.00 39.78 37.39 1c39 n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1c39 n GLU 82 N -0.87 1.73 -4.04 -3.83 1.02 -0.81 -4.41 120.64 109.44 1c39 n GLU 82 Ca 0.17 -3.99 -0.36 0.00 -0.02 0.00 0.00 57.16 52.97 1c39 n GLU 82 Cb 0.24 -1.79 -0.07 0.00 -0.02 0.00 0.00 31.44 29.80 1c39 n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1c39 s THR 83 N -2.19 5.11 -0.01 2.62 2.01 -0.68 -1.39 115.64 121.11 1c39 s THR 83 Ca 0.39 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.44 1c39 s THR 83 Cb 0.19 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 1c39 s THR 83 CO -0.07 0.58 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.75 1c39 s GLN 84 N -1.10 0.86 -0.17 4.92 0.74 -0.66 -4.12 119.66 120.13 1c39 s GLN 84 Ca 0.16 -0.38 -0.12 0.00 0.05 0.00 0.00 55.36 55.07 1c39 s GLN 84 Cb -0.12 -0.83 0.05 0.00 1.10 0.00 0.00 33.01 33.21 1c39 s GLN 84 CO 0.05 0.23 0.43 -1.50 -0.55 0.00 0.00 175.29 173.95 1c39 s ILE 85 N -0.25 -0.01 0.16 -2.34 2.07 -1.26 -0.91 121.20 118.66 1c39 s ILE 85 Ca 0.04 0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 59.17 1c39 s ILE 85 Cb -0.04 -0.63 0.03 0.00 0.13 0.00 0.00 42.46 41.95 1c39 s ILE 85 CO -0.00 0.02 0.45 0.72 -1.91 0.00 0.00 174.94 174.22 1c39 s PHE 86 N 0.93 -0.12 0.11 3.50 -0.12 -1.01 -4.63 117.98 116.63 1c39 s PHE 86 Ca -0.06 -0.21 0.03 0.00 -0.05 0.00 0.00 56.93 56.65 1c39 s PHE 86 Cb -0.06 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 1c39 s PHE 86 CO -0.08 -0.80 -0.09 1.14 -0.05 0.00 0.00 175.22 175.34 1c39 s GLN 87 N -3.85 0.89 0.00 1.99 -2.07 -1.26 -0.54 119.66 114.82 1c39 s GLN 87 Ca 0.07 -1.27 0.00 0.00 -1.82 0.00 0.00 55.36 52.34 1c39 s GLN 87 Cb 0.01 -0.45 0.00 0.00 -1.09 0.00 0.00 33.01 31.48 1c39 s GLN 87 CO -0.07 0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.36 1c39 n GLY 88 N 0.22 3.51 0.08 2.60 0.00 0.12 -4.99 105.19 106.73 1c39 n GLY 88 Ca -0.14 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 1c39 n GLY 88 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1c39 h SER 89 N 0.00 0.02 -0.17 1.61 4.64 -2.01 -3.38 113.55 114.26 1c39 h SER 89 Ca 0.00 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 1c39 h SER 89 Cb 0.00 -0.01 -0.26 0.00 -0.31 0.00 0.00 62.40 61.82 1c39 h SER 89 CO 0.00 0.93 -0.64 -0.46 -0.87 0.00 0.00 176.83 175.79 1c39 n ASN 90 N -3.46 -0.13 -3.44 4.97 6.94 -1.26 -3.58 115.26 115.30 1c39 n ASN 90 Ca -0.01 -2.12 -0.12 0.00 -0.02 0.00 0.00 54.58 52.32 1c39 n ASN 90 Cb 0.87 0.16 -0.02 0.00 -2.36 0.00 0.00 39.78 38.43 1c39 n ASN 90 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1c39 s TRP 91 N -1.42 -0.53 -0.01 -2.53 1.48 -1.11 -1.58 118.94 113.24 1c39 s TRP 91 Ca 0.17 0.38 0.00 0.00 -1.06 0.00 0.00 56.10 55.59 1c39 s TRP 91 Cb 0.37 0.55 0.01 0.00 -1.16 0.00 0.00 33.47 33.23 1c39 s TRP 91 CO -0.09 -0.80 -0.01 0.42 -4.06 0.00 0.00 176.95 172.42 1c39 s ILE 92 N -3.47 0.13 -0.16 0.66 1.01 -0.48 -0.70 121.20 118.19 1c39 s ILE 92 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 1c39 s ILE 92 Cb -0.01 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 1c39 s ILE 92 CO -0.11 0.08 -0.12 -0.32 0.00 0.00 0.00 174.94 174.47 1c39 s MET 93 N 0.42 3.33 -0.11 2.79 1.75 0.30 -0.43 119.30 127.35 1c39 s MET 93 Ca -0.04 -0.69 -0.01 0.00 -1.25 0.00 0.00 55.69 53.70 1c39 s MET 93 Cb -0.06 -2.72 -0.03 0.00 2.84 0.00 0.00 34.83 34.86 1c39 s MET 93 CO -0.01 0.05 -0.07 -1.17 -0.65 0.00 0.00 175.02 173.17 1c39 s LEU 94 N 0.77 3.09 -0.09 4.11 2.96 -0.03 -2.39 118.68 127.09 1c39 s LEU 94 Ca -0.05 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1c39 s LEU 94 Cb -0.15 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1c39 s LEU 94 CO 0.01 0.26 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.58 1c39 s ILE 95 N -0.17 0.98 -0.32 6.68 1.01 -0.09 -0.46 121.20 128.84 1c39 s ILE 95 Ca 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 1c39 s ILE 95 Cb -0.13 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1c39 s ILE 95 CO 0.03 0.35 0.10 -0.31 0.00 0.00 0.00 174.94 175.10 1c39 s TYR 96 N 1.34 3.19 0.25 3.97 4.12 -0.02 -1.66 117.35 128.55 1c39 s TYR 96 Ca -0.02 -1.13 0.02 0.00 0.02 0.00 0.00 57.07 55.95 1c39 s TYR 96 Cb -0.14 -2.28 0.05 0.00 -1.52 0.00 0.00 41.96 38.07 1c39 s TYR 96 CO -0.04 -0.64 0.35 1.63 0.02 0.00 0.00 175.55 176.87 1c39 n LYS 97 N 4.86 0.61 -1.66 -0.62 5.02 -0.49 -0.49 118.16 125.39 1c39 n LYS 97 Ca -0.14 -1.14 -0.08 0.00 -2.02 0.00 0.00 58.31 54.94 1c39 n LYS 97 Cb 0.47 -0.17 -0.02 0.00 -0.02 0.00 0.00 35.03 35.29 1c39 n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c39 n GLY 98 N 2.15 0.54 2.33 0.72 0.00 -1.23 -1.03 105.19 108.67 1c39 n GLY 98 Ca 0.06 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 1c39 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c39 n GLY 99 N -1.55 -2.13 3.77 -0.02 0.00 0.09 -4.38 105.19 100.96 1c39 n GLY 99 Ca -0.08 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1c39 n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c39 s ASP 100 N -3.68 6.21 0.38 1.61 1.01 0.62 -3.40 116.67 119.42 1c39 s ASP 100 Ca 0.47 2.54 -0.27 0.00 0.71 0.00 0.00 52.55 56.00 1c39 s ASP 100 Cb -0.03 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.18 1c39 s ASP 100 CO 0.34 -0.91 1.27 -1.61 0.21 0.00 0.00 175.17 174.48 1c39 s GLU 101 N -2.41 4.10 0.73 8.23 2.02 -1.26 -1.11 118.70 129.00 1c39 s GLU 101 Ca 0.60 2.10 -0.11 0.00 0.02 0.00 0.00 54.97 57.58 1c39 s GLU 101 Cb -0.35 -2.83 0.03 0.00 0.10 0.00 0.00 34.13 31.08 1c39 s GLU 101 CO 0.44 -0.36 1.08 0.71 0.02 0.00 0.00 175.26 177.15 1c39 s TYR 102 N -1.26 2.82 -0.19 1.61 2.02 0.21 -4.89 117.35 117.68 1c39 s TYR 102 Ca 0.55 1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 58.63 1c39 s TYR 102 Cb -0.37 -2.98 -0.08 0.00 -0.40 0.00 0.00 41.96 38.14 1c39 s TYR 102 CO 0.48 -1.53 -0.26 -0.25 -1.57 0.00 0.00 175.55 172.41 1c39 n ASP 103 N -3.30 1.46 -1.84 2.29 9.92 -1.26 -4.33 116.55 119.48 1c39 n ASP 103 Ca 0.08 0.25 -0.16 0.00 -0.53 0.00 0.00 54.79 54.44 1c39 n ASP 103 Cb 0.53 -0.60 0.06 0.00 -0.64 0.00 0.00 41.12 40.47 1c39 n ASP 103 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1c39 n ASN 104 N -3.94 3.93 -3.60 -2.24 4.13 -1.26 -4.73 115.26 107.55 1c39 n ASN 104 Ca -0.36 -3.56 -0.11 0.00 1.68 0.00 0.00 54.58 52.23 1c39 n ASN 104 Cb 0.73 -0.39 -0.04 0.00 -1.54 0.00 0.00 39.78 38.55 1c39 n ASN 104 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1c39 s HIS 105 N -3.47 -0.26 -1.34 3.10 3.76 -1.26 -4.98 115.29 110.84 1c39 s HIS 105 Ca 0.46 -0.04 -0.16 0.00 -0.15 0.00 0.00 55.06 55.18 1c39 s HIS 105 Cb 0.39 0.35 0.15 0.00 1.11 0.00 0.00 32.58 34.58 1c39 s HIS 105 CO 0.01 -0.77 0.46 0.00 -0.85 0.00 0.00 174.74 173.59 1c39 n GLY 107 N -0.98 -0.47 2.42 0.00 0.00 -1.24 -2.56 105.19 102.35 1c39 n GLY 107 Ca 0.07 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1c39 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c39 n ARG 108 N -3.56 -1.88 -1.87 1.61 1.74 0.10 -4.97 116.66 107.83 1c39 n ARG 108 Ca -0.16 0.87 -0.30 0.00 -0.77 0.00 0.00 57.85 57.49 1c39 n ARG 108 Cb 0.64 -5.51 0.04 0.00 -1.02 0.00 0.00 32.46 26.60 1c39 n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1c39 s GLU 109 N -5.04 3.05 0.43 5.56 -1.05 -1.06 -4.21 118.70 116.37 1c39 s GLU 109 Ca 0.00 0.55 -0.24 0.00 -0.15 0.00 0.00 54.97 55.13 1c39 s GLU 109 Cb -0.00 -2.03 -0.08 0.00 -0.44 0.00 0.00 34.13 31.57 1c39 s GLU 109 CO 0.00 -0.92 1.15 -0.65 0.95 0.00 0.00 175.26 175.79 1c39 s GLN 110 N -5.30 3.93 0.84 -4.83 -0.21 -1.26 -0.62 119.66 112.21 1c39 s GLN 110 Ca 0.57 1.77 -0.11 0.00 0.02 0.00 0.00 55.36 57.61 1c39 s GLN 110 Cb -0.11 -2.54 0.10 0.00 1.00 0.00 0.00 33.01 31.46 1c39 s GLN 110 CO 0.52 -0.40 1.09 1.03 -2.12 0.00 0.00 175.29 175.41 1c39 s ARG 111 N -2.50 1.72 -0.06 2.91 0.52 -0.27 -4.70 118.95 116.56 1c39 s ARG 111 Ca 0.60 1.02 -0.08 0.00 -0.52 0.00 0.00 55.73 56.76 1c39 s ARG 111 Cb -0.29 -1.85 0.02 0.00 0.52 0.00 0.00 34.95 33.36 1c39 s ARG 111 CO 0.35 -1.98 0.21 0.50 0.02 0.00 0.00 175.30 174.40 1c39 s ARG 112 N -4.90 0.31 -0.16 3.54 3.52 -0.89 -0.73 118.95 119.64 1c39 s ARG 112 Ca 0.62 0.15 -0.03 0.00 -0.13 0.00 0.00 55.73 56.35 1c39 s ARG 112 Cb -0.18 0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.33 1c39 s ARG 112 CO 0.57 -0.05 -0.06 0.00 -0.81 0.00 0.00 175.30 174.94 1c39 s ALA 113 N -0.21 2.87 -0.18 6.12 0.00 0.36 -1.77 121.76 128.94 1c39 s ALA 113 Ca -0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 1c39 s ALA 113 Cb -0.03 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1c39 s ALA 113 CO 0.01 0.11 -0.15 0.08 0.00 0.00 0.00 175.76 175.81 1c39 s VAL 114 N 0.56 2.54 -0.18 0.00 1.01 0.09 -0.84 120.40 123.58 1c39 s VAL 114 Ca -0.04 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1c39 s VAL 114 Cb -0.15 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1c39 s VAL 114 CO 0.03 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.75 1c39 s VAL 115 N 1.18 2.18 -0.33 2.92 1.01 0.39 -0.68 120.40 127.07 1c39 s VAL 115 Ca 0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1c39 s VAL 115 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1c39 s VAL 115 CO -0.07 0.53 0.29 -0.32 0.00 0.00 0.00 175.10 175.54 1c39 s MET 116 N 1.21 3.58 -0.37 2.72 1.75 -0.02 -0.85 119.30 127.31 1c39 s MET 116 Ca 0.03 -0.50 -0.11 0.00 -1.25 0.00 0.00 55.69 53.86 1c39 s MET 116 Cb -0.14 -3.79 0.02 0.00 2.84 0.00 0.00 34.83 33.77 1c39 s MET 116 CO -0.10 -0.45 0.21 0.42 -0.65 0.00 0.00 175.02 174.45 1c39 s ILE 117 N 1.86 4.66 0.17 10.11 1.01 0.43 -1.99 121.20 137.46 1c39 s ILE 117 Ca 0.09 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 1c39 s ILE 117 Cb -0.17 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 1c39 s ILE 117 CO 0.11 -0.22 0.49 -0.44 0.00 0.00 0.00 174.94 174.87 1c39 s SER 118 N 1.57 6.64 0.12 3.58 0.01 -0.28 -1.38 113.70 123.96 1c39 s SER 118 Ca 0.03 0.86 -0.31 0.00 1.31 0.00 0.00 55.95 57.83 1c39 s SER 118 Cb -0.19 -2.20 -0.08 0.00 0.21 0.00 0.00 66.02 63.76 1c39 s SER 118 CO 0.07 0.03 1.45 0.00 0.41 0.00 0.00 173.24 175.19 1c39 s ASN 120 N 1.21 1.13 0.13 0.00 3.84 -1.02 -4.82 114.94 115.42 1c39 s ASN 120 Ca 0.66 -0.61 0.08 0.00 0.21 0.00 0.00 52.86 53.21 1c39 s ASN 120 Cb -0.38 0.76 0.45 0.00 -0.55 0.00 0.00 41.25 41.53 1c39 s ASN 120 CO 0.30 -0.37 1.24 0.54 -2.79 0.00 0.00 177.10 176.02 1c39 n ARG 121 N 5.32 0.05 0.00 0.43 1.74 -1.26 -2.46 116.66 120.48 1c39 n ARG 121 Ca -0.01 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 57.74 1c39 n ARG 121 Cb 0.48 -1.71 0.35 0.00 -1.02 0.00 0.00 32.46 30.56 1c39 n ARG 121 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1c39 n HIS 122 N -1.78 0.00 -3.71 -1.55 8.25 -1.26 -4.89 115.22 110.28 1c39 n HIS 122 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1c39 n HIS 122 Cb 0.04 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.04 1c39 n HIS 122 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1c39 s THR 123 N -2.13 0.02 0.18 1.59 -1.32 -1.08 -5.02 115.64 107.87 1c39 s THR 123 Ca 0.31 -0.17 -0.01 0.00 -1.21 0.00 0.00 61.69 60.61 1c39 s THR 123 Cb 0.20 -0.67 -0.11 0.00 -1.51 0.00 0.00 72.50 70.41 1c39 s THR 123 CO 0.38 -0.10 1.43 0.25 -2.21 0.00 0.00 174.62 174.37 1c39 h LEU 124 N 4.54 0.45 -6.64 9.08 5.85 -1.89 0.11 115.31 126.80 1c39 h LEU 124 Ca -0.28 -0.30 0.17 0.00 0.84 0.00 0.00 57.88 58.30 1c39 h LEU 124 Cb 1.17 -0.13 -0.26 0.00 0.37 0.00 0.00 40.66 41.81 1c39 h LEU 124 CO 0.31 1.05 0.33 0.00 -0.34 0.00 0.00 178.44 179.79 1c39 s ALA 125 N -3.56 -2.63 0.09 1.25 0.00 -1.26 -3.93 121.76 111.73 1c39 s ALA 125 Ca -0.05 2.07 -0.26 0.00 0.00 0.00 0.00 51.96 53.71 1c39 s ALA 125 Cb 0.10 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.33 1c39 s ALA 125 CO 0.84 -0.74 0.91 0.34 0.00 0.00 0.00 175.76 177.11 1c39 s ASP 126 N 2.00 -0.28 -1.08 0.00 2.15 -0.81 -5.01 116.67 113.64 1c39 s ASP 126 Ca -0.05 -0.22 -0.04 0.00 0.43 0.00 0.00 52.55 52.68 1c39 s ASP 126 Cb -0.05 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1c39 s ASP 126 CO -0.16 -0.79 0.92 0.59 -0.17 0.00 0.00 175.17 175.56 1c39 n ASN 127 N -0.37 -3.93 -4.71 -0.34 5.03 -1.26 -0.79 115.26 108.89 1c39 n ASN 127 Ca -0.08 -0.49 -0.42 0.00 0.87 0.00 0.00 54.58 54.47 1c39 n ASN 127 Cb 0.61 -4.36 -0.03 0.00 -1.02 0.00 0.00 39.78 34.99 1c39 n ASN 127 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1c39 s PHE 128 N -3.29 3.56 -0.27 3.10 2.19 -1.26 -4.15 117.98 117.87 1c39 s PHE 128 Ca 0.26 1.52 -0.24 0.00 0.33 0.00 0.00 56.93 58.80 1c39 s PHE 128 Cb -0.11 -3.26 0.07 0.00 -1.31 0.00 0.00 43.02 38.42 1c39 s PHE 128 CO 0.61 -0.58 0.73 0.54 1.83 0.00 0.00 175.22 178.35 1c39 s ASN 129 N 1.02 -0.77 0.01 6.13 4.22 -0.51 -4.78 114.94 120.27 1c39 s ASN 129 Ca 0.55 1.44 -0.30 0.00 -2.14 0.00 0.00 52.86 52.40 1c39 s ASN 129 Cb -0.25 1.44 -0.07 0.00 1.28 0.00 0.00 41.25 43.65 1c39 s ASN 129 CO 0.29 -0.24 1.58 -2.84 -2.04 0.00 0.00 177.10 173.84 1c39 s PRO 130 N 0.58 4.22 -0.15 3.55 0.02 -1.26 -1.83 135.00 140.12 1c39 s PRO 130 Ca -0.02 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 63.07 1c39 s PRO 130 Cb -0.05 -3.70 -0.08 0.00 0.02 0.00 0.00 34.50 30.69 1c39 s PRO 130 CO -0.03 -0.72 0.03 0.28 -0.33 0.00 0.00 177.00 176.23 1c39 h VAL 131 N 5.06 0.36 -2.26 3.83 2.07 -1.24 -3.48 116.25 120.59 1c39 h VAL 131 Ca -0.40 -1.38 0.19 0.00 0.82 0.00 0.00 66.70 65.94 1c39 h VAL 131 Cb 1.19 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 1c39 h VAL 131 CO 0.93 0.12 0.53 -0.94 0.02 0.00 0.00 177.57 178.23 1c39 s SER 132 N -5.98 -0.15 -0.09 0.57 1.04 -1.14 -5.02 113.70 102.93 1c39 s SER 132 Ca -0.15 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1c39 s SER 132 Cb 0.02 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1c39 s SER 132 CO 0.30 -0.85 -0.08 -0.70 0.98 0.00 0.00 173.24 172.89 1c39 s GLU 133 N -3.13 1.42 -0.46 4.02 2.12 -1.26 -0.67 118.70 120.73 1c39 s GLU 133 Ca 0.13 -0.25 -0.16 0.00 0.36 0.00 0.00 54.97 55.05 1c39 s GLU 133 Cb -0.01 -1.39 0.06 0.00 0.26 0.00 0.00 34.13 33.06 1c39 s GLU 133 CO 0.02 -0.16 0.39 -2.00 -0.54 0.00 0.00 175.26 172.97 1c39 s GLU 134 N 1.31 2.98 0.00 4.30 2.56 -0.16 -4.86 118.70 124.83 1c39 s GLU 134 Ca -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 54.97 53.66 1c39 s GLU 134 Cb -0.14 -4.11 0.00 0.00 2.00 0.00 0.00 34.13 31.89 1c39 s GLU 134 CO -0.03 -0.99 0.79 2.89 -0.56 0.00 0.00 175.26 177.35 1c39 n ARG 135 N 5.23 1.68 -0.58 4.30 1.85 -1.26 -1.94 116.66 125.94 1c39 n ARG 135 Ca -0.12 -1.09 0.06 0.00 -1.00 0.00 0.00 57.85 55.70 1c39 n ARG 135 Cb 0.44 -0.89 0.29 0.00 -1.05 0.00 0.00 32.46 31.25 1c39 n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1c39 n GLY 136 N -0.31 2.37 3.82 2.89 0.00 -1.26 -4.08 105.19 108.62 1c39 n GLY 136 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 1c39 n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c39 s LYS 137 N -2.06 2.73 0.29 1.61 1.02 -1.26 -5.01 119.74 117.05 1c39 s LYS 137 Ca 0.40 -1.25 0.25 0.00 0.02 0.00 0.00 55.97 55.40 1c39 s LYS 137 Cb 0.28 -2.46 0.72 0.00 -0.52 0.00 0.00 37.83 35.86 1c39 s LYS 137 CO 0.15 0.21 1.73 -0.39 -0.92 0.00 0.00 175.35 176.14 1c39 h VAL 138 N 1.40 0.00 -2.15 3.17 -1.51 -1.92 -3.28 116.25 111.97 1c39 h VAL 138 Ca -0.46 -0.60 0.21 0.00 -1.23 0.00 0.00 66.70 64.62 1c39 h VAL 138 Cb 1.25 1.58 -0.09 0.00 -2.13 0.00 0.00 31.29 31.90 1c39 h VAL 138 CO 0.60 0.00 0.56 0.00 -1.23 0.00 0.00 177.57 177.50 1c39 s GLN 139 N -3.17 1.03 -1.42 5.19 -2.07 -1.26 -3.67 119.66 114.28 1c39 s GLN 139 Ca 0.09 -0.57 -0.07 0.00 -1.82 0.00 0.00 55.36 52.99 1c39 s GLN 139 Cb 0.10 0.35 0.01 0.00 -1.09 0.00 0.00 33.01 32.38 1c39 s GLN 139 CO 0.60 -0.47 0.87 -0.25 -1.32 0.00 0.00 175.29 174.72 1c39 n ASP 140 N -0.48 -6.15 -4.44 12.60 8.00 -1.26 -5.02 116.55 119.80 1c39 n ASP 140 Ca -0.07 -0.40 -0.29 0.00 0.71 0.00 0.00 54.79 54.74 1c39 n ASP 140 Cb 0.61 -4.87 0.16 0.00 -0.02 0.00 0.00 41.12 37.00 1c39 n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c39 s PHE 142 N -3.46 -0.05 -0.11 0.00 -0.71 -0.82 -4.66 117.98 108.17 1c39 s PHE 142 Ca 0.68 0.01 -0.01 0.00 -1.04 0.00 0.00 56.93 56.57 1c39 s PHE 142 Cb -0.10 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 1c39 s PHE 142 CO 0.53 -0.12 -0.06 0.71 -1.34 0.00 0.00 175.22 174.93 1c39 s TYR 143 N -2.23 2.96 -0.08 3.49 1.51 -0.73 -0.99 117.35 121.28 1c39 s TYR 143 Ca 0.12 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 1c39 s TYR 143 Cb 0.02 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1c39 s TYR 143 CO -0.04 0.13 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.22 1c39 s LEU 144 N -0.22 2.76 0.09 -1.29 2.96 0.15 -0.73 118.68 122.40 1c39 s LEU 144 Ca 0.03 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1c39 s LEU 144 Cb -0.13 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1c39 s LEU 144 CO 0.03 0.27 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.88 1c39 s PHE 145 N -0.28 0.97 0.12 5.38 0.40 0.14 -0.68 117.98 124.03 1c39 s PHE 145 Ca 0.02 -0.69 0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1c39 s PHE 145 Cb -0.13 -0.54 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 1c39 s PHE 145 CO 0.03 -0.04 -0.13 -1.21 0.70 0.00 0.00 175.22 174.56 1c39 s GLU 146 N -2.83 0.98 -0.02 0.44 2.02 -0.76 -0.85 118.70 117.68 1c39 s GLU 146 Ca 0.05 -1.22 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 1c39 s GLU 146 Cb -0.02 -0.82 0.08 0.00 0.10 0.00 0.00 34.13 33.47 1c39 s GLU 146 CO -0.01 0.15 0.73 1.41 0.02 0.00 0.00 175.26 177.56 1c39 s MET 147 N -2.68 1.01 0.02 1.61 1.75 -0.84 -1.42 119.30 118.74 1c39 s MET 147 Ca 0.08 0.05 -0.00 0.00 -1.25 0.00 0.00 55.69 54.57 1c39 s MET 147 Cb -0.05 0.47 -0.04 0.00 2.84 0.00 0.00 34.83 38.06 1c39 s MET 147 CO 0.02 -0.36 0.13 -0.51 -0.65 0.00 0.00 175.02 173.65 1c39 s ASP 148 N -1.58 5.94 -0.28 1.11 -0.00 0.03 -1.12 116.67 120.76 1c39 s ASP 148 Ca -0.06 0.19 -0.21 0.00 -0.00 0.00 0.00 52.55 52.47 1c39 s ASP 148 Cb -0.00 -1.75 0.11 0.00 -0.00 0.00 0.00 42.92 41.27 1c39 s ASP 148 CO 0.03 0.24 0.88 -0.55 -0.00 0.00 0.00 175.17 175.77 1c39 s SER 149 N -1.99 -0.63 0.34 0.27 0.15 -0.45 -1.93 113.70 109.46 1c39 s SER 149 Ca 0.27 1.12 0.27 0.00 0.70 0.00 0.00 55.95 58.30 1c39 s SER 149 Cb -0.12 1.19 1.09 0.00 -1.71 0.00 0.00 66.02 66.46 1c39 s SER 149 CO 0.18 -0.19 1.79 0.77 1.20 0.00 0.00 173.24 177.00 1c39 h SER 150 N 5.36 0.00 0.93 5.45 4.64 -0.45 -2.58 113.55 126.90 1c39 h SER 150 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1c39 h SER 150 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1c39 h SER 150 CO 0.12 0.00 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.99 1c39 h LEU 151 N 0.00 0.00 -0.80 5.97 3.38 -1.83 -2.48 115.31 119.55 1c39 h LEU 151 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c39 h LEU 151 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1c39 h LEU 151 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1c39 n ALA 152 N -2.11 2.55 -2.67 1.53 0.00 -1.00 -4.84 120.51 113.97 1c39 n ALA 152 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 53.44 52.64 1c39 n ALA 152 Cb 0.30 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 1c39 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50