#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1f n SER 2 N 0.00 -6.95 -3.96 1.61 7.64 -1.26 -5.02 113.62 105.69 1x1f n SER 2 Ca 0.00 0.66 -0.09 0.00 1.01 0.00 0.00 58.87 60.45 1x1f n SER 2 Cb 0.00 -2.72 -0.11 0.00 -1.01 0.00 0.00 64.21 60.38 1x1f n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x1f s SER 3 N -1.24 0.19 0.00 6.43 1.04 -1.26 -5.11 113.70 113.76 1x1f s SER 3 Ca 0.03 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1x1f s SER 3 Cb -0.00 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1x1f s SER 3 CO 0.28 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1x1f n GLY 4 N 1.54 3.12 3.18 7.32 0.00 -1.26 -5.16 105.19 113.94 1x1f n GLY 4 Ca -0.24 -1.18 0.05 0.00 0.00 0.00 0.00 46.02 44.65 1x1f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x1f s SER 5 N 0.00 -0.18 -0.30 1.61 1.04 -1.26 -5.16 113.70 109.45 1x1f s SER 5 Ca 0.00 0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 1x1f s SER 5 Cb 0.00 1.18 0.18 0.00 0.10 0.00 0.00 66.02 67.48 1x1f s SER 5 CO 0.00 -0.03 1.15 -0.94 0.98 0.00 0.00 173.24 174.40 1x1f s SER 6 N 2.58 -0.27 0.00 7.02 1.04 -1.26 -5.14 113.70 117.67 1x1f s SER 6 Ca -0.04 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1x1f s SER 6 Cb -0.06 1.25 0.00 0.00 0.10 0.00 0.00 66.02 67.31 1x1f s SER 6 CO -0.12 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1x1f n GLY 7 N 4.25 -0.60 3.24 7.32 0.00 -1.26 -4.92 105.19 113.23 1x1f n GLY 7 Ca -0.11 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 1x1f n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x1f n GLN 8 N 1.64 3.77 -1.27 1.61 3.00 -1.26 -4.94 117.38 119.93 1x1f n GLN 8 Ca 0.00 -4.36 0.02 0.00 -0.01 0.00 0.00 57.00 52.66 1x1f n GLN 8 Cb 0.00 -2.62 -0.01 0.00 0.00 0.00 0.00 30.24 27.60 1x1f n GLN 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1x1f n GLU 9 N 2.76 -3.26 -0.07 -1.09 1.02 -1.26 -4.85 120.64 113.89 1x1f n GLU 9 Ca 0.27 2.55 -0.09 0.00 -0.02 0.00 0.00 57.16 59.88 1x1f n GLU 9 Cb 0.38 -3.26 -0.07 0.00 -0.02 0.00 0.00 31.44 28.47 1x1f n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x1f h ARG 10 N -0.09 0.00 -3.45 3.49 2.47 -2.01 -3.50 114.38 111.29 1x1f h ARG 10 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1x1f h ARG 10 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 1x1f h ARG 10 CO 0.01 0.53 -0.75 1.28 0.56 0.00 0.00 179.97 181.60 1x1f n LEU 11 N -4.66 -5.36 -3.75 3.04 4.77 -1.26 -5.05 117.00 104.73 1x1f n LEU 11 Ca -0.08 2.58 -0.15 0.00 -0.03 0.00 0.00 56.01 58.33 1x1f n LEU 11 Cb 0.30 -2.50 -0.15 0.00 -2.33 0.00 0.00 43.42 38.74 1x1f n LEU 11 CO 0.17 -0.98 -0.29 -0.54 -1.33 0.00 0.00 177.39 174.43 1x1f s LYS 12 N -1.79 0.02 0.29 3.23 1.02 -1.26 -5.12 119.74 116.13 1x1f s LYS 12 Ca 0.00 0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 1x1f s LYS 12 Cb 0.00 -0.22 -0.12 0.00 -0.52 0.00 0.00 37.83 36.97 1x1f s LYS 12 CO 0.00 -0.18 1.60 -0.89 -0.92 0.00 0.00 175.35 174.96 1x1f n ILE 13 N 4.26 0.96 -3.73 2.17 5.41 -1.26 -4.99 119.36 122.18 1x1f n ILE 13 Ca -0.26 -0.24 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 1x1f n ILE 13 Cb 0.51 -1.94 -0.09 0.00 -0.71 0.00 0.00 39.64 37.41 1x1f n ILE 13 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1x1f s THR 14 N 0.06 0.03 0.39 1.39 2.01 -1.26 -5.12 115.64 113.14 1x1f s THR 14 Ca 0.65 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1x1f s THR 14 Cb -0.50 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.37 1x1f s THR 14 CO 0.48 -0.12 0.00 0.00 -0.69 0.00 0.00 174.62 174.28 1x1f n ALA 15 N 1.93 -1.64 -1.77 7.40 0.00 -1.26 -4.85 120.51 120.32 1x1f n ALA 15 Ca -0.18 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 1x1f n ALA 15 Cb 0.57 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 1x1f n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1f s LEU 16 N -4.85 4.12 -0.37 0.00 2.01 -1.26 -4.93 118.68 113.39 1x1f s LEU 16 Ca 0.00 2.51 -0.29 0.00 0.01 0.00 0.00 54.13 56.36 1x1f s LEU 16 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 46.19 42.15 1x1f s LEU 16 CO 0.00 -0.91 1.39 -2.16 1.01 0.00 0.00 176.35 175.68 1x1f s PRO 17 N -2.44 3.69 0.50 1.29 0.04 -1.26 -4.68 135.00 132.14 1x1f s PRO 17 Ca 0.60 1.08 -0.23 0.00 0.04 0.00 0.00 61.00 62.48 1x1f s PRO 17 Cb -0.34 -3.98 -0.06 0.00 0.04 0.00 0.00 34.50 30.15 1x1f s PRO 17 CO 0.43 -1.41 1.39 -0.11 0.04 0.00 0.00 177.00 177.33 1x1f n LEU 18 N 8.42 5.31 0.05 -3.56 7.94 -1.26 -0.95 117.00 132.96 1x1f n LEU 18 Ca 0.16 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 1x1f n LEU 18 Cb 0.47 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.84 1x1f n LEU 18 CO 0.68 -0.42 -0.11 -1.22 -1.11 0.00 0.00 177.39 175.21 1x1f n TYR 19 N -0.68 -0.73 -4.13 1.96 4.01 0.89 -4.88 117.16 113.59 1x1f n TYR 19 Ca 0.08 0.13 -0.09 0.00 -0.16 0.00 0.00 57.90 57.86 1x1f n TYR 19 Cb 0.43 0.29 -0.10 0.00 -0.31 0.00 0.00 39.34 39.65 1x1f n TYR 19 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1x1f s PHE 20 N -2.00 0.70 -0.17 -0.72 5.36 -1.20 -5.00 117.98 114.96 1x1f s PHE 20 Ca 0.00 -1.01 -0.15 0.00 -0.96 0.00 0.00 56.93 54.82 1x1f s PHE 20 Cb 0.00 -0.45 0.05 0.00 -0.34 0.00 0.00 43.02 42.27 1x1f s PHE 20 CO 0.00 -0.28 0.44 -1.83 -1.46 0.00 0.00 175.22 172.09 1x1f s GLU 21 N -3.89 0.50 0.00 10.12 1.03 -1.26 0.48 118.70 125.68 1x1f s GLU 21 Ca 0.10 0.65 0.00 0.00 0.03 0.00 0.00 54.97 55.74 1x1f s GLU 21 Cb 0.07 0.22 0.00 0.00 -0.80 0.00 0.00 34.13 33.61 1x1f s GLU 21 CO -0.07 -0.07 0.00 0.41 -1.33 0.00 0.00 175.26 174.19 1x1f n GLY 22 N 3.03 1.30 3.51 -3.83 0.00 -0.85 -5.04 105.19 103.32 1x1f n GLY 22 Ca -0.15 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1x1f n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x1f n PHE 23 N -0.04 0.71 -3.99 1.61 3.72 -1.26 -3.81 117.46 114.40 1x1f n PHE 23 Ca 0.00 0.28 -0.26 0.00 -0.05 0.00 0.00 57.45 57.42 1x1f n PHE 23 Cb 0.00 -2.28 -0.04 0.00 -0.94 0.00 0.00 39.48 36.22 1x1f n PHE 23 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1x1f s LEU 24 N 9.07 4.16 -0.19 4.37 2.96 -0.84 -4.86 118.68 133.34 1x1f s LEU 24 Ca 1.27 0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 55.18 1x1f s LEU 24 Cb -0.97 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1x1f s LEU 24 CO 0.44 0.06 0.03 -0.76 -1.32 0.00 0.00 176.35 174.80 1x1f s LEU 25 N -3.20 3.55 -0.07 -0.68 1.43 -1.11 -2.25 118.68 116.34 1x1f s LEU 25 Ca 0.33 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 1x1f s LEU 25 Cb -0.11 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1x1f s LEU 25 CO 0.27 0.12 -0.22 -0.63 0.23 0.00 0.00 176.35 176.12 1x1f s ILE 26 N 0.67 2.34 -0.47 -0.59 -1.09 -1.07 -2.62 121.20 118.37 1x1f s ILE 26 Ca 0.02 -0.95 0.08 0.00 -2.23 0.00 0.00 60.65 57.56 1x1f s ILE 26 Cb -0.14 -1.89 0.28 0.00 -1.58 0.00 0.00 42.46 39.13 1x1f s ILE 26 CO 0.02 0.56 0.66 1.17 -1.23 0.00 0.00 174.94 176.13 1x1f n LYS 27 N 3.05 1.50 -0.29 2.79 4.81 -1.19 -2.85 118.16 125.97 1x1f n LYS 27 Ca -0.18 -3.81 -0.15 0.00 -0.87 0.00 0.00 58.31 53.30 1x1f n LYS 27 Cb 0.52 -1.68 0.14 0.00 0.02 0.00 0.00 35.03 34.03 1x1f n LYS 27 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x1f n ARG 28 N 0.88 -2.90 0.32 1.64 1.74 -1.26 -4.04 116.66 113.04 1x1f n ARG 28 Ca 0.25 -0.81 0.20 0.00 -0.77 0.00 0.00 57.85 56.72 1x1f n ARG 28 Cb 0.51 -0.91 1.08 0.00 -1.02 0.00 0.00 32.46 32.12 1x1f n ARG 28 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1x1f h SER 29 N -2.44 0.00 -3.66 0.55 0.02 -2.00 -3.25 113.55 102.78 1x1f h SER 29 Ca -0.20 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.11 1x1f h SER 29 Cb 0.66 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.79 1x1f h SER 29 CO 0.13 0.00 -0.57 -0.83 -1.14 0.00 0.00 176.83 174.42 1x1f s GLY 30 N -4.11 2.74 0.00 -3.77 0.00 -1.26 -4.70 107.32 96.21 1x1f s GLY 30 Ca -0.05 -3.60 0.00 0.00 0.00 0.00 0.00 44.72 41.07 1x1f s GLY 30 CO 0.46 1.06 0.00 -1.72 0.00 0.00 0.00 173.10 172.90 1x1f n TYR 31 N 2.49 -0.91 0.00 1.90 4.02 -1.23 -5.03 117.16 118.40 1x1f n TYR 31 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1x1f n TYR 31 Cb 0.34 0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1x1f n TYR 31 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1x1f n ARG 32 N -1.87 0.00 -4.10 -0.72 0.00 -1.26 -4.74 116.66 103.97 1x1f n ARG 32 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 1x1f n ARG 32 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.30 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1x1f s GLU 33 N 0.00 0.78 0.27 -0.14 -1.05 -1.26 -5.12 118.70 112.19 1x1f s GLU 33 Ca 0.00 -0.07 -0.22 0.00 -0.15 0.00 0.00 54.97 54.53 1x1f s GLU 33 Cb 0.00 -0.84 -0.15 0.00 -0.44 0.00 0.00 34.13 32.70 1x1f s GLU 33 CO 0.00 -0.11 0.27 0.66 0.95 0.00 0.00 175.26 177.03 1x1f n TYR 34 N 4.19 -1.16 -4.48 4.83 4.01 -1.26 -4.94 117.16 118.35 1x1f n TYR 34 Ca -0.23 0.71 -0.22 0.00 -0.16 0.00 0.00 57.90 58.00 1x1f n TYR 34 Cb 0.51 -1.67 -0.14 0.00 -0.31 0.00 0.00 39.34 37.73 1x1f n TYR 34 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1x1f s GLU 35 N -0.89 1.13 -0.19 -0.72 2.02 -1.13 -4.96 118.70 113.95 1x1f s GLU 35 Ca 0.55 -0.83 -0.21 0.00 0.02 0.00 0.00 54.97 54.51 1x1f s GLU 35 Cb -0.70 -1.18 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 1x1f s GLU 35 CO 0.53 0.30 0.62 -1.58 0.02 0.00 0.00 175.26 175.15 1x1f s HIS 36 N -0.81 3.38 -0.05 1.61 2.46 -1.26 -2.59 115.29 118.03 1x1f s HIS 36 Ca 0.04 0.93 -0.06 0.00 0.47 0.00 0.00 55.06 56.44 1x1f s HIS 36 Cb -0.08 -2.79 0.01 0.00 -0.13 0.00 0.00 32.58 29.59 1x1f s HIS 36 CO 0.01 -0.16 0.16 0.71 -2.47 0.00 0.00 174.74 172.99 1x1f s TYR 37 N 1.85 -0.14 -0.95 3.88 2.02 -0.96 -4.99 117.35 118.06 1x1f s TYR 37 Ca 0.29 0.33 -0.25 0.00 -0.37 0.00 0.00 57.07 57.07 1x1f s TYR 37 Cb -0.16 0.04 -0.11 0.00 -0.40 0.00 0.00 41.96 41.33 1x1f s TYR 37 CO 0.10 -0.12 2.10 -0.46 -1.57 0.00 0.00 175.55 175.60 1x1f s TRP 38 N -0.18 1.55 0.18 2.71 -0.11 0.46 -1.98 118.94 121.57 1x1f s TRP 38 Ca -0.03 1.25 -0.27 0.00 1.22 0.00 0.00 56.10 58.27 1x1f s TRP 38 Cb -0.02 -3.75 -0.08 0.00 -1.50 0.00 0.00 33.47 28.12 1x1f s TRP 38 CO 0.00 -1.42 0.85 0.99 -4.62 0.00 0.00 176.95 172.76 1x1f s THR 39 N 12.71 4.30 -0.04 5.86 2.01 -1.25 0.43 115.64 139.66 1x1f s THR 39 Ca 0.78 1.87 0.02 0.00 0.31 0.00 0.00 61.69 64.67 1x1f s THR 39 Cb -0.07 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1x1f s THR 39 CO 0.07 0.49 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.80 1x1f s GLU 40 N -0.99 1.05 -0.24 4.92 2.02 0.31 -2.01 118.70 123.78 1x1f s GLU 40 Ca 0.39 -0.27 -0.19 0.00 0.02 0.00 0.00 54.97 54.92 1x1f s GLU 40 Cb -0.24 -0.97 -0.03 0.00 0.10 0.00 0.00 34.13 33.00 1x1f s GLU 40 CO 0.28 0.05 0.55 -1.17 0.02 0.00 0.00 175.26 174.99 1x1f s LEU 41 N 0.45 4.09 -0.04 1.80 0.20 0.18 -1.31 118.68 124.06 1x1f s LEU 41 Ca -0.07 0.63 -0.00 0.00 0.69 0.00 0.00 54.13 55.38 1x1f s LEU 41 Cb -0.11 -2.74 0.03 0.00 -0.43 0.00 0.00 46.19 42.94 1x1f s LEU 41 CO 0.01 -0.27 0.01 -0.13 -0.29 0.00 0.00 176.35 175.68 1x1f s ARG 42 N 2.12 0.30 1.10 1.98 0.52 -1.13 -0.08 118.95 123.77 1x1f s ARG 42 Ca 0.24 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 1x1f s ARG 42 Cb -0.16 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.75 1x1f s ARG 42 CO 0.09 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1x1f n GLY 43 N 4.45 0.38 0.37 -3.53 0.00 -0.12 0.43 105.19 107.18 1x1f n GLY 43 Ca -0.20 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1x1f n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x1f n THR 44 N 0.00 0.00 -5.04 2.61 -2.24 -1.26 -4.81 114.28 103.54 1x1f n THR 44 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1x1f n THR 44 Cb 0.00 0.46 -0.17 0.00 -2.10 0.00 0.00 70.33 68.53 1x1f n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x1f s THR 45 N 0.00 2.07 -0.40 4.28 2.01 0.17 -3.29 115.64 120.48 1x1f s THR 45 Ca 0.00 -1.00 -0.26 0.00 0.31 0.00 0.00 61.69 60.74 1x1f s THR 45 Cb 0.00 -1.80 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1x1f s THR 45 CO 0.00 0.56 0.92 -0.76 -0.69 0.00 0.00 174.62 174.64 1x1f s LEU 46 N 0.49 4.00 -0.28 4.42 1.43 -1.23 -2.82 118.68 124.69 1x1f s LEU 46 Ca -0.15 0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 53.26 1x1f s LEU 46 Cb -0.17 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1x1f s LEU 46 CO 0.05 -0.92 0.17 -0.36 0.23 0.00 0.00 176.35 175.53 1x1f s PHE 47 N 3.56 3.19 -0.19 0.29 0.08 -0.42 -0.06 117.98 124.43 1x1f s PHE 47 Ca 0.37 -0.05 -0.07 0.00 0.12 0.00 0.00 56.93 57.30 1x1f s PHE 47 Cb -0.11 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1x1f s PHE 47 CO 0.21 -0.23 0.06 -0.06 -0.10 0.00 0.00 175.22 175.10 1x1f s PHE 48 N 1.72 3.21 0.35 0.36 0.08 0.14 0.11 117.98 123.95 1x1f s PHE 48 Ca 0.07 -0.00 0.07 0.00 0.12 0.00 0.00 56.93 57.18 1x1f s PHE 48 Cb -0.16 -2.09 -0.07 0.00 -0.57 0.00 0.00 43.02 40.13 1x1f s PHE 48 CO 0.09 0.08 -0.03 0.71 -0.10 0.00 0.00 175.22 175.97 1x1f s TYR 49 N 0.53 2.26 -0.15 0.36 2.02 0.17 -0.08 117.35 122.46 1x1f s TYR 49 Ca 0.03 -0.67 0.15 0.00 -0.37 0.00 0.00 57.07 56.20 1x1f s TYR 49 Cb -0.13 -1.42 -0.20 0.00 -0.40 0.00 0.00 41.96 39.80 1x1f s TYR 49 CO 0.01 0.38 0.08 0.25 -1.57 0.00 0.00 175.55 174.70 1x1f n THR 50 N -0.78 1.03 -3.84 -0.71 -2.24 -1.26 0.17 114.28 106.65 1x1f n THR 50 Ca -0.05 -0.66 -0.07 0.00 -2.27 0.00 0.00 64.05 61.00 1x1f n THR 50 Cb 0.65 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 68.34 1x1f n THR 50 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x1f s ASP 51 N -4.91 -0.21 0.17 3.42 1.01 -1.26 -4.65 116.67 110.23 1x1f s ASP 51 Ca -0.08 -0.65 0.07 0.00 0.71 0.00 0.00 52.55 52.60 1x1f s ASP 51 Cb 0.05 0.71 -0.02 0.00 1.01 0.00 0.00 42.92 44.67 1x1f s ASP 51 CO 0.67 -1.32 1.38 0.07 0.21 0.00 0.00 175.17 176.18 1x1f h LYS 52 N 2.00 0.05 -0.23 8.23 2.10 -1.99 -3.07 116.57 123.67 1x1f h LYS 52 Ca -0.21 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.36 1x1f h LYS 52 Cb 1.25 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1x1f h LYS 52 CO 0.26 0.90 0.06 0.87 -2.00 0.00 0.00 179.45 179.54 1x1f h LYS 53 N 0.02 0.32 -6.81 0.07 1.79 -2.01 -3.43 116.57 106.53 1x1f h LYS 53 Ca -0.02 -0.04 -0.57 0.00 -2.18 0.00 0.00 60.65 57.84 1x1f h LYS 53 Cb 1.55 -0.06 0.14 0.00 -1.58 0.00 0.00 32.23 32.28 1x1f h LYS 53 CO 0.12 0.30 0.29 0.43 -1.08 0.00 0.00 179.45 179.51 1x1f n SER 54 N -4.41 1.60 -0.10 0.86 7.64 -1.16 -4.94 113.62 113.11 1x1f n SER 54 Ca 0.00 0.96 -0.21 0.00 1.01 0.00 0.00 58.87 60.64 1x1f n SER 54 Cb 0.15 -1.43 -0.12 0.00 -1.01 0.00 0.00 64.21 61.79 1x1f n SER 54 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1x1f n ILE 55 N -0.94 1.56 -3.89 0.44 5.41 -1.26 -4.97 119.36 115.71 1x1f n ILE 55 Ca 0.10 -0.53 -0.22 0.00 1.00 0.00 0.00 62.75 63.10 1x1f n ILE 55 Cb 0.43 -1.59 -0.04 0.00 -0.71 0.00 0.00 39.64 37.73 1x1f n ILE 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1x1f s ILE 56 N -2.52 3.29 -0.08 1.39 -5.25 -1.26 -5.10 121.20 111.67 1x1f s ILE 56 Ca -0.33 -1.47 -0.22 0.00 -0.99 0.00 0.00 60.65 57.64 1x1f s ILE 56 Cb 0.09 -3.10 -0.04 0.00 2.95 0.00 0.00 42.46 42.36 1x1f s ILE 56 CO 0.62 -0.16 0.63 -0.72 -1.79 0.00 0.00 174.94 173.52 1x1f s TYR 57 N -2.36 3.55 0.50 1.37 -0.85 -1.26 -4.83 117.35 113.48 1x1f s TYR 57 Ca 0.40 1.14 0.31 0.00 -0.52 0.00 0.00 57.07 58.40 1x1f s TYR 57 Cb -0.04 -2.73 1.43 0.00 0.38 0.00 0.00 41.96 40.99 1x1f s TYR 57 CO 0.25 0.11 1.80 -0.24 -1.52 0.00 0.00 175.55 175.95 1x1f h VAL 58 N 4.75 0.44 -1.35 -3.49 3.04 -0.82 -3.43 116.25 115.40 1x1f h VAL 58 Ca -0.41 -0.04 0.21 0.00 -1.01 0.00 0.00 66.70 65.45 1x1f h VAL 58 Cb 1.19 0.33 -0.23 0.00 -2.01 0.00 0.00 31.29 30.57 1x1f h VAL 58 CO 0.75 0.02 0.80 -1.81 -1.01 0.00 0.00 177.57 176.32 1x1f s ASP 59 N -5.22 -0.16 0.33 3.17 1.01 -1.02 -5.04 116.67 109.74 1x1f s ASP 59 Ca -0.06 0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.34 1x1f s ASP 59 Cb 0.24 0.14 -0.05 0.00 1.01 0.00 0.00 42.92 44.26 1x1f s ASP 59 CO 0.80 -0.19 0.09 -1.59 0.21 0.00 0.00 175.17 174.49 1x1f s LYS 60 N -1.60 1.65 0.15 8.23 -2.85 -1.26 0.24 119.74 124.30 1x1f s LYS 60 Ca 0.06 -1.94 0.02 0.00 -1.00 0.00 0.00 55.97 53.12 1x1f s LYS 60 Cb -0.01 -0.59 -0.01 0.00 -2.06 0.00 0.00 37.83 35.16 1x1f s LYS 60 CO -0.04 -0.30 0.07 1.28 0.10 0.00 0.00 175.35 176.45 1x1f n LEU 61 N -0.68 0.00 -3.45 2.77 4.77 0.92 -4.96 117.00 116.37 1x1f n LEU 61 Ca -0.02 -1.19 -0.14 0.00 -0.03 0.00 0.00 56.01 54.62 1x1f n LEU 61 Cb 0.66 0.45 -0.11 0.00 -2.33 0.00 0.00 43.42 42.10 1x1f n LEU 61 CO 0.39 -0.19 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.51 1x1f s ASP 62 N -1.94 0.82 -0.12 -1.43 -1.08 -1.26 -3.50 116.67 108.16 1x1f s ASP 62 Ca 0.10 0.03 0.14 0.00 -0.52 0.00 0.00 52.55 52.30 1x1f s ASP 62 Cb 0.00 0.72 0.31 0.00 -1.46 0.00 0.00 42.92 42.49 1x1f s ASP 62 CO 0.07 -0.31 1.16 2.30 0.52 0.00 0.00 175.17 178.91 1x1f n ILE 63 N 5.34 1.51 -0.17 4.11 -5.35 -1.21 -4.73 119.36 118.85 1x1f n ILE 63 Ca -0.05 -2.14 -0.11 0.00 -0.27 0.00 0.00 62.75 60.19 1x1f n ILE 63 Cb 0.50 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1x1f n ILE 63 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 1x1f h VAL 64 N 2.17 1.27 -0.68 7.28 -1.51 -1.85 -2.42 116.25 120.50 1x1f h VAL 64 Ca -0.03 -1.31 -0.21 0.00 -1.23 0.00 0.00 66.70 63.92 1x1f h VAL 64 Cb 1.16 1.05 -0.13 0.00 -2.13 0.00 0.00 31.29 31.24 1x1f h VAL 64 CO 0.01 0.46 0.27 0.47 -1.23 0.00 0.00 177.57 177.55 1x1f n ASP 65 N -4.15 4.51 -4.51 4.19 8.00 -1.26 -4.89 116.55 118.45 1x1f n ASP 65 Ca 0.01 -3.10 -0.54 0.00 0.71 0.00 0.00 54.79 51.86 1x1f n ASP 65 Cb 0.42 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1x1f n LEU 66 N -0.14 0.25 0.05 0.64 7.94 -0.91 -4.36 117.00 120.46 1x1f n LEU 66 Ca 0.38 1.15 -0.18 0.00 -1.11 0.00 0.00 56.01 56.24 1x1f n LEU 66 Cb 1.30 -1.01 -0.14 0.00 0.53 0.00 0.00 43.42 44.10 1x1f n LEU 66 CO 0.41 -1.89 -0.47 0.74 -1.11 0.00 0.00 177.39 175.07 1x1f h THR 67 N 2.62 1.00 0.00 1.96 2.02 0.76 -3.49 112.91 117.78 1x1f h THR 67 Ca -0.45 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.07 1x1f h THR 67 Cb 1.40 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.50 1x1f h THR 67 CO 0.66 0.81 0.00 0.00 0.37 0.00 0.00 175.52 177.36 1x1f s LEU 69 N 0.00 1.25 0.59 0.00 0.20 -1.26 -1.42 118.68 118.04 1x1f s LEU 69 Ca 0.00 -0.19 0.05 0.00 0.69 0.00 0.00 54.13 54.68 1x1f s LEU 69 Cb 0.00 -0.60 0.08 0.00 -0.43 0.00 0.00 46.19 45.23 1x1f s LEU 69 CO 0.00 -0.07 0.81 0.42 -0.29 0.00 0.00 176.35 177.22 1x1f s THR 70 N 1.19 2.40 -0.11 3.68 -4.23 -1.10 -4.95 115.64 112.52 1x1f s THR 70 Ca -0.06 -0.81 -0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1x1f s THR 70 Cb -0.14 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.14 1x1f s THR 70 CO -0.02 0.00 -0.09 -1.61 -0.54 0.00 0.00 174.62 172.37 1x1f s GLU 71 N -4.77 1.64 -0.36 3.99 2.02 -1.26 -3.36 118.70 116.60 1x1f s GLU 71 Ca 0.61 -0.31 -0.26 0.00 0.02 0.00 0.00 54.97 55.03 1x1f s GLU 71 Cb -0.07 -1.63 0.01 0.00 0.10 0.00 0.00 34.13 32.54 1x1f s GLU 71 CO 0.39 -0.23 0.94 -0.65 0.02 0.00 0.00 175.26 175.73 1x1f s GLN 72 N 1.57 3.87 -0.24 1.61 -1.52 0.14 -4.96 119.66 120.13 1x1f s GLN 72 Ca 0.03 0.64 -0.34 0.00 -1.95 0.00 0.00 55.36 53.73 1x1f s GLN 72 Cb -0.13 -3.79 -0.11 0.00 -0.22 0.00 0.00 33.01 28.76 1x1f s GLN 72 CO -0.07 -0.93 2.06 0.09 -0.25 0.00 0.00 175.29 176.18 1x1f n ASN 73 N 6.76 2.75 -4.72 5.90 4.13 -1.26 -4.64 115.26 124.18 1x1f n ASN 73 Ca 0.07 0.62 -0.31 0.00 1.68 0.00 0.00 54.58 56.64 1x1f n ASN 73 Cb 0.48 -1.33 -0.08 0.00 -1.54 0.00 0.00 39.78 37.31 1x1f n ASN 73 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1x1f s SER 74 N 6.10 5.25 -0.22 6.41 1.04 -1.26 -5.10 113.70 125.92 1x1f s SER 74 Ca 1.02 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 57.36 1x1f s SER 74 Cb -0.74 -1.36 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 1x1f s SER 74 CO 0.49 0.22 -0.04 -0.89 0.98 0.00 0.00 173.24 174.01 1x1f s THR 75 N -1.24 3.46 0.48 2.02 2.01 -1.26 -5.02 115.64 116.10 1x1f s THR 75 Ca 0.24 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1x1f s THR 75 Cb -0.12 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1x1f s THR 75 CO 0.16 0.42 0.00 -0.62 -0.69 0.00 0.00 174.62 173.89 1x1f n GLU 76 N 4.71 -3.03 -2.52 4.92 1.02 -1.26 -4.99 120.64 119.48 1x1f n GLU 76 Ca -0.18 2.29 -0.03 0.00 -0.02 0.00 0.00 57.16 59.22 1x1f n GLU 76 Cb 0.51 -3.64 -0.02 0.00 -0.02 0.00 0.00 31.44 28.26 1x1f n GLU 76 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x1f n LYS 77 N -4.22 -4.28 -1.76 3.49 4.01 -1.26 -4.74 118.16 109.40 1x1f n LYS 77 Ca -0.04 3.18 -0.43 0.00 -0.51 0.00 0.00 58.31 60.51 1x1f n LYS 77 Cb 0.68 -4.31 -0.03 0.00 -0.51 0.00 0.00 35.03 30.86 1x1f n LYS 77 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1x1f s ASN 78 N -0.54 5.97 0.08 4.39 0.01 -1.26 -4.93 114.94 118.66 1x1f s ASN 78 Ca -0.15 2.01 -0.14 0.00 -0.71 0.00 0.00 52.86 53.87 1x1f s ASN 78 Cb 0.01 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 39.17 1x1f s ASN 78 CO 0.40 -1.53 0.34 0.00 -1.51 0.00 0.00 177.10 174.79 1x1f s ALA 80 N -3.27 3.03 -0.16 0.00 0.00 -1.26 -4.68 121.76 115.41 1x1f s ALA 80 Ca -0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 51.96 50.64 1x1f s ALA 80 Cb 0.01 -2.03 0.04 0.00 0.00 0.00 0.00 23.12 21.14 1x1f s ALA 80 CO -0.08 -0.71 -0.07 0.15 0.00 0.00 0.00 175.76 175.04 1x1f s LYS 81 N 1.52 1.61 0.05 0.00 1.02 -1.26 -3.46 119.74 119.22 1x1f s LYS 81 Ca 0.04 -0.50 -0.08 0.00 0.02 0.00 0.00 55.97 55.45 1x1f s LYS 81 Cb -0.16 -1.97 -0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1x1f s LYS 81 CO 0.01 -0.38 0.16 -0.59 -0.92 0.00 0.00 175.35 173.64 1x1f s PHE 82 N 1.61 0.13 -0.07 3.18 -0.12 -1.14 0.26 117.98 121.83 1x1f s PHE 82 Ca 0.02 -0.42 0.03 0.00 -0.05 0.00 0.00 56.93 56.51 1x1f s PHE 82 Cb -0.15 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.14 1x1f s PHE 82 CO -0.08 -0.43 -0.14 0.99 -0.05 0.00 0.00 175.22 175.51 1x1f s THR 83 N -2.84 3.10 -0.49 -4.49 2.01 -1.21 -1.83 115.64 109.89 1x1f s THR 83 Ca -0.03 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 1x1f s THR 83 Cb 0.00 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1x1f s THR 83 CO -0.05 0.58 1.06 -0.76 -0.69 0.00 0.00 174.62 174.76 1x1f s LEU 84 N -0.53 3.76 -0.28 4.42 2.01 0.29 -2.69 118.68 125.66 1x1f s LEU 84 Ca 0.07 0.23 -0.25 0.00 0.01 0.00 0.00 54.13 54.20 1x1f s LEU 84 Cb -0.12 -3.32 0.00 0.00 0.01 0.00 0.00 46.19 42.76 1x1f s LEU 84 CO 0.02 -1.22 0.85 -0.69 1.01 0.00 0.00 176.35 176.31 1x1f s VAL 85 N 4.27 4.77 0.20 -1.59 1.01 -0.50 -1.58 120.40 126.97 1x1f s VAL 85 Ca 0.42 1.42 0.09 0.00 0.00 0.00 0.00 61.98 63.92 1x1f s VAL 85 Cb -0.08 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1x1f s VAL 85 CO 0.28 -0.22 -0.19 -0.76 0.00 0.00 0.00 175.10 174.22 1x1f s LEU 86 N 3.02 2.50 0.00 3.92 1.43 -1.24 0.13 118.68 128.44 1x1f s LEU 86 Ca 0.35 -0.93 0.23 0.00 -1.03 0.00 0.00 54.13 52.75 1x1f s LEU 86 Cb -0.14 -0.90 1.37 0.00 0.03 0.00 0.00 46.19 46.55 1x1f s LEU 86 CO 0.11 -0.03 1.75 -0.81 0.23 0.00 0.00 176.35 177.61 1x1f n PRO 87 N -0.06 0.75 0.00 1.29 -0.04 -1.26 -3.68 135.00 132.01 1x1f n PRO 87 Ca -0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.32 1x1f n PRO 87 Cb 0.58 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1x1f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x1f n LYS 88 N -0.98 0.15 -3.56 0.54 5.02 -1.26 -5.11 118.16 112.96 1x1f n LYS 88 Ca 0.17 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.35 1x1f n LYS 88 Cb 0.08 -0.75 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 1x1f n LYS 88 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x1f s GLU 89 N -2.22 0.99 0.33 1.97 2.12 -1.24 -5.17 118.70 115.48 1x1f s GLU 89 Ca -0.08 0.18 -0.06 0.00 0.36 0.00 0.00 54.97 55.37 1x1f s GLU 89 Cb 0.02 0.46 -0.05 0.00 0.26 0.00 0.00 34.13 34.82 1x1f s GLU 89 CO 0.12 -0.30 0.62 -1.21 -0.54 0.00 0.00 175.26 173.95 1x1f s GLU 90 N -1.20 3.66 -0.01 4.30 8.01 -1.26 -3.60 118.70 128.59 1x1f s GLU 90 Ca -0.11 0.12 0.00 0.00 0.01 0.00 0.00 54.97 54.99 1x1f s GLU 90 Cb -0.01 -2.56 0.00 0.00 -4.31 0.00 0.00 34.13 27.25 1x1f s GLU 90 CO 0.09 0.12 -0.01 0.08 0.01 0.00 0.00 175.26 175.55 1x1f s VAL 91 N -2.21 0.08 0.20 2.63 1.01 -0.62 -4.79 120.40 116.70 1x1f s VAL 91 Ca 0.46 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 1x1f s VAL 91 Cb -0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 36.38 36.10 1x1f s VAL 91 CO 0.31 0.04 0.65 -1.10 0.00 0.00 0.00 175.10 175.01 1x1f s GLN 92 N 0.18 4.11 -0.01 2.72 -0.21 -1.26 0.11 119.66 125.29 1x1f s GLN 92 Ca -0.01 0.68 -0.00 0.00 0.02 0.00 0.00 55.36 56.05 1x1f s GLN 92 Cb -0.03 -2.86 0.02 0.00 1.00 0.00 0.00 33.01 31.14 1x1f s GLN 92 CO -0.01 0.41 0.02 -0.51 -2.12 0.00 0.00 175.29 173.09 1x1f s LEU 93 N -2.06 1.44 0.03 2.90 1.02 -0.76 -3.20 118.68 118.04 1x1f s LEU 93 Ca 0.42 0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.62 1x1f s LEU 93 Cb -0.15 -0.02 -0.02 0.00 0.02 0.00 0.00 46.19 46.02 1x1f s LEU 93 CO 0.20 -0.08 -0.06 -0.75 0.02 0.00 0.00 176.35 175.68 1x1f s LYS 94 N 0.64 0.46 0.50 1.70 2.36 -1.08 -2.90 119.74 121.43 1x1f s LYS 94 Ca -0.05 -0.58 0.02 0.00 -2.55 0.00 0.00 55.97 52.81 1x1f s LYS 94 Cb -0.08 -0.28 -0.02 0.00 -1.05 0.00 0.00 37.83 36.41 1x1f s LYS 94 CO -0.02 0.06 0.02 0.95 1.55 0.00 0.00 175.35 177.91 1x1f s THR 95 N -1.02 1.27 0.00 3.43 -4.23 -1.22 -2.77 115.64 111.10 1x1f s THR 95 Ca -0.07 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.26 1x1f s THR 95 Cb -0.08 -2.25 -0.23 0.00 1.34 0.00 0.00 72.50 71.29 1x1f s THR 95 CO 0.00 0.00 1.11 -0.33 -0.54 0.00 0.00 174.62 174.86 1x1f h GLU 96 N 1.37 0.40 -3.85 3.99 5.08 -1.92 -3.45 114.58 116.20 1x1f h GLU 96 Ca -0.44 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 57.43 1x1f h GLU 96 Cb 1.31 0.11 -0.14 0.00 0.50 0.00 0.00 28.75 30.53 1x1f h GLU 96 CO 0.74 1.07 -0.36 -0.80 -1.00 0.00 0.00 179.01 178.66 1x1f s ASN 97 N -6.68 0.10 0.25 1.42 0.01 -1.26 -4.93 114.94 103.85 1x1f s ASN 97 Ca -0.13 -0.73 -0.07 0.00 -0.71 0.00 0.00 52.86 51.22 1x1f s ASN 97 Cb 0.03 0.37 0.45 0.00 0.41 0.00 0.00 41.25 42.51 1x1f s ASN 97 CO 0.81 -0.78 1.62 0.74 -1.51 0.00 0.00 177.10 177.99 1x1f h THR 98 N 2.69 0.29 0.00 1.60 2.02 -1.83 -1.37 112.91 116.31 1x1f h THR 98 Ca -0.33 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1x1f h THR 98 Cb 1.21 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1x1f h THR 98 CO 0.54 0.01 0.00 -1.84 0.37 0.00 0.00 175.52 174.60 1x1f n GLU 99 N -5.39 0.00 -0.32 6.66 0.28 -1.26 0.02 120.64 120.63 1x1f n GLU 99 Ca 0.14 0.70 0.19 0.00 -0.16 0.00 0.00 57.16 58.02 1x1f n GLU 99 Cb 0.49 -1.27 0.38 0.00 1.43 0.00 0.00 31.44 32.47 1x1f n GLU 99 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1x1f h SER 100 N 0.00 0.14 0.15 -1.84 0.02 -1.86 0.10 113.55 110.26 1x1f h SER 100 Ca 0.00 0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1x1f h SER 100 Cb 0.00 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1x1f h SER 100 CO 0.00 -0.20 -0.45 1.23 -1.14 0.00 0.00 176.83 176.26 1x1f h GLY 101 N 0.20 -0.95 -0.06 -3.77 0.00 0.24 -1.15 103.07 97.59 1x1f h GLY 101 Ca 0.65 0.54 0.21 0.00 0.00 0.00 0.00 47.33 48.73 1x1f h GLY 101 CO -0.68 -0.28 0.49 0.83 0.00 0.00 0.00 176.54 176.90 1x1f h GLU 102 N -0.70 0.53 0.04 4.80 4.39 0.22 0.41 114.58 124.26 1x1f h GLU 102 Ca 0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1x1f h GLU 102 Cb 0.72 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1x1f h GLU 102 CO -0.24 0.35 -0.07 0.93 -1.16 0.00 0.00 179.01 178.82 1x1f h GLU 103 N 0.55 -0.12 0.35 2.33 5.08 -0.56 0.59 114.58 122.79 1x1f h GLU 103 Ca 0.57 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.94 1x1f h GLU 103 Cb 1.02 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1x1f h GLU 103 CO -0.46 -0.08 -0.51 -1.49 -1.00 0.00 0.00 179.01 175.47 1x1f h TRP 104 N -0.12 -1.44 -0.88 4.33 4.06 -0.82 1.30 115.95 122.39 1x1f h TRP 104 Ca -0.00 0.02 0.11 0.00 2.06 0.00 0.00 58.89 61.08 1x1f h TRP 104 Cb 0.11 0.58 -0.12 0.00 -1.00 0.00 0.00 29.16 28.73 1x1f h TRP 104 CO -0.21 -0.64 -0.43 -2.13 -3.56 0.00 0.00 178.44 171.47 1x1f n ARG 105 N -5.53 -0.29 -0.07 0.49 0.63 0.14 0.19 116.66 112.21 1x1f n ARG 105 Ca -0.11 1.34 -0.11 0.00 -0.92 0.00 0.00 57.85 58.05 1x1f n ARG 105 Cb 0.44 -1.98 -0.05 0.00 0.45 0.00 0.00 32.46 31.32 1x1f n ARG 105 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1x1f h GLY 106 N 0.00 0.42 0.48 5.14 0.00 0.78 -0.40 103.07 109.48 1x1f h GLY 106 Ca 0.22 -0.31 0.10 0.00 0.00 0.00 0.00 47.33 47.35 1x1f h GLY 106 CO -0.85 0.28 0.48 0.74 0.00 0.00 0.00 176.54 177.19 1x1f h PHE 107 N 0.15 0.87 0.38 5.60 0.04 0.59 -0.51 116.94 124.07 1x1f h PHE 107 Ca 0.06 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1x1f h PHE 107 Cb 0.40 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1x1f h PHE 107 CO 0.03 0.34 -0.18 0.82 -0.60 0.00 0.00 178.31 178.72 1x1f h ILE 108 N 0.79 0.46 -0.83 -0.55 5.03 0.23 -1.81 117.51 120.82 1x1f h ILE 108 Ca 0.42 -0.63 0.24 0.00 -0.12 0.00 0.00 64.86 64.77 1x1f h ILE 108 Cb 0.42 0.70 -0.03 0.00 -3.03 0.00 0.00 36.82 34.87 1x1f h ILE 108 CO -0.26 0.09 0.87 -0.07 -0.68 0.00 0.00 178.15 178.10 1x1f h LEU 109 N -0.94 0.00 0.24 1.44 3.38 -0.67 1.46 115.31 120.22 1x1f h LEU 109 Ca -0.05 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.60 1x1f h LEU 109 Cb 0.54 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.33 1x1f h LEU 109 CO 0.09 0.00 -1.42 0.74 0.09 0.00 0.00 178.44 177.94 1x1f h THR 110 N 0.00 1.30 -0.62 0.22 2.02 -0.79 0.19 112.91 115.23 1x1f h THR 110 Ca 0.40 -2.68 -0.33 0.00 0.77 0.00 0.00 66.41 64.57 1x1f h THR 110 Cb 2.14 3.06 -0.19 0.00 -1.74 0.00 0.00 68.15 71.42 1x1f h THR 110 CO -0.00 0.80 0.41 1.33 0.37 0.00 0.00 175.52 178.43 1x1f n VAL 111 N -3.77 2.39 0.00 3.16 0.24 0.48 -2.64 118.33 118.20 1x1f n VAL 111 Ca -0.17 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1x1f n VAL 111 Cb 1.07 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1x1f n VAL 111 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x1f n THR 112 N -0.51 0.00 0.90 3.34 -2.24 -0.04 -4.75 114.28 110.98 1x1f n THR 112 Ca 0.37 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.28 1x1f n THR 112 Cb 1.21 -0.26 0.39 0.00 -2.10 0.00 0.00 70.33 69.57 1x1f n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 113 N -2.25 0.07 -1.92 -0.78 1.02 0.66 -4.91 120.64 112.53 1x1f n GLU 113 Ca 0.00 0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 57.01 1x1f n GLU 113 Cb 0.00 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 29.82 1x1f n GLU 113 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1f n LEU 114 N -1.66 -1.50 0.00 -4.62 7.99 -1.08 -4.94 117.00 111.19 1x1f n LEU 114 Ca 0.06 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 1x1f n LEU 114 Cb 0.36 -2.42 0.00 0.00 -0.11 0.00 0.00 43.42 41.25 1x1f n LEU 114 CO 0.32 -0.51 0.00 -0.24 -1.51 0.00 0.00 177.39 175.45 1x1f n SER 115 N -0.95 0.00 -3.95 -1.43 2.88 -1.24 -5.02 113.62 103.90 1x1f n SER 115 Ca -0.18 -0.66 -0.28 0.00 -1.33 0.00 0.00 58.87 56.42 1x1f n SER 115 Cb 0.60 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.89 1x1f n SER 115 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x1f s VAL 116 N -1.86 1.22 -0.18 2.46 1.01 -1.26 -4.08 120.40 117.71 1x1f s VAL 116 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1x1f s VAL 116 Cb 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1x1f s VAL 116 CO 0.00 0.40 1.28 -2.16 0.00 0.00 0.00 175.10 174.62 1x1f s PRO 117 N 1.53 4.20 0.18 2.72 0.04 -1.26 -4.88 135.00 137.52 1x1f s PRO 117 Ca 0.03 1.64 0.25 0.00 0.04 0.00 0.00 61.00 62.96 1x1f s PRO 117 Cb -0.13 -3.78 0.55 0.00 0.04 0.00 0.00 34.50 31.18 1x1f s PRO 117 CO -0.08 -0.76 1.54 1.96 0.04 0.00 0.00 177.00 179.70 1x1f h GLN 118 N 8.37 0.00 -2.74 4.56 4.20 -2.02 -3.36 115.11 124.13 1x1f h GLN 118 Ca -0.27 0.00 -0.74 0.00 0.06 0.00 0.00 58.65 57.70 1x1f h GLN 118 Cb 1.10 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.76 1x1f h GLN 118 CO 0.98 0.00 2.35 0.09 -0.67 0.00 0.00 178.83 181.58 1x1f n ASN 119 N -2.25 7.65 -4.22 1.46 4.13 -1.26 -4.90 115.26 115.87 1x1f n ASN 119 Ca 0.04 -3.14 -0.19 0.00 1.68 0.00 0.00 54.58 52.97 1x1f n ASN 119 Cb 0.44 -1.37 -0.12 0.00 -1.54 0.00 0.00 39.78 37.19 1x1f n ASN 119 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1x1f s VAL 120 N -0.98 1.31 -0.81 2.41 -7.23 -1.26 -5.02 120.40 108.84 1x1f s VAL 120 Ca 0.52 -1.50 0.25 0.00 -1.81 0.00 0.00 61.98 59.44 1x1f s VAL 120 Cb 0.17 -1.33 0.24 0.00 0.56 0.00 0.00 36.38 36.03 1x1f s VAL 120 CO -0.08 -0.25 1.77 -0.24 -0.31 0.00 0.00 175.10 175.98 1x1f n SER 121 N 0.98 0.42 -3.71 4.85 2.88 -1.26 -4.84 113.62 112.95 1x1f n SER 121 Ca -0.19 0.56 -0.23 0.00 -1.33 0.00 0.00 58.87 57.68 1x1f n SER 121 Cb 0.55 -0.67 0.17 0.00 -0.75 0.00 0.00 64.21 63.52 1x1f n SER 121 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1f n LEU 122 N -1.92 -1.44 0.00 2.46 4.32 -1.26 -5.03 117.00 114.13 1x1f n LEU 122 Ca 0.05 -0.39 -0.10 0.00 -0.02 0.00 0.00 56.01 55.54 1x1f n LEU 122 Cb 0.33 -0.84 0.01 0.00 -1.62 0.00 0.00 43.42 41.30 1x1f n LEU 122 CO 0.25 -3.39 0.07 0.18 -1.22 0.00 0.00 177.39 173.28 1x1f n LEU 123 N -1.98 0.00 0.24 2.23 4.77 -1.26 -4.94 117.00 116.05 1x1f n LEU 123 Ca 0.06 -1.19 0.15 0.00 -0.03 0.00 0.00 56.01 55.00 1x1f n LEU 123 Cb 0.45 -0.07 0.44 0.00 -2.33 0.00 0.00 43.42 41.90 1x1f n LEU 123 CO 0.33 -0.46 0.90 1.55 -1.33 0.00 0.00 177.39 178.38 1x1f h PRO 124 N 0.00 0.00 0.00 3.23 0.13 -1.99 -1.26 132.00 132.11 1x1f h PRO 124 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1x1f h PRO 124 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1x1f h PRO 124 CO 0.21 0.00 -0.81 0.78 -0.23 0.00 0.00 178.00 177.95 1x1f h GLY 125 N 3.03 0.00 0.60 1.56 0.00 -2.01 -3.29 103.07 102.96 1x1f h GLY 125 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1x1f h GLY 125 CO 0.00 0.00 -2.00 -1.06 0.00 0.00 0.00 176.54 173.48 1x1f n GLN 126 N -2.57 0.71 0.27 4.80 6.02 -1.09 -3.97 117.38 121.54 1x1f n GLN 126 Ca 0.01 0.24 0.11 0.00 -0.01 0.00 0.00 57.00 57.35 1x1f n GLN 126 Cb 0.52 -1.70 0.73 0.00 1.02 0.00 0.00 30.24 30.81 1x1f n GLN 126 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1x1f h VAL 127 N 0.04 0.76 -0.81 5.09 2.07 -1.37 -1.15 116.25 120.89 1x1f h VAL 127 Ca -0.41 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1x1f h VAL 127 Cb 2.03 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 1x1f h VAL 127 CO 0.06 0.07 0.42 0.40 0.02 0.00 0.00 177.57 178.54 1x1f h ILE 128 N 0.00 1.24 0.19 4.57 2.04 -1.69 -2.46 117.51 121.40 1x1f h ILE 128 Ca -0.00 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1x1f h ILE 128 Cb 0.15 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1x1f h ILE 128 CO 0.01 0.28 -0.53 0.50 0.00 0.00 0.00 178.15 178.41 1x1f h LYS 129 N 1.13 -0.77 -0.55 2.37 1.63 -1.37 -1.33 116.57 117.67 1x1f h LYS 129 Ca 0.28 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 60.23 1x1f h LYS 129 Cb 0.06 0.18 -0.11 0.00 -0.60 0.00 0.00 32.23 31.76 1x1f h LYS 129 CO -0.04 -0.52 -0.38 -0.07 -3.45 0.00 0.00 179.45 174.99 1x1f h LEU 130 N -0.80 -1.30 -0.93 5.20 3.38 -1.54 0.55 115.31 119.87 1x1f h LEU 130 Ca -0.02 0.23 0.27 0.00 0.09 0.00 0.00 57.88 58.45 1x1f h LEU 130 Cb 0.78 0.61 -0.16 0.00 0.09 0.00 0.00 40.66 41.98 1x1f h LEU 130 CO -0.25 -0.32 0.19 0.45 0.09 0.00 0.00 178.44 178.60 1x1f h HIS 131 N -0.21 0.26 0.38 1.13 3.86 -0.91 1.01 115.15 120.67 1x1f h HIS 131 Ca 0.20 0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 1x1f h HIS 131 Cb 0.56 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1x1f h HIS 131 CO -0.65 -0.32 -0.18 0.93 0.86 0.00 0.00 177.93 178.56 1x1f h GLU 132 N 0.11 -0.50 -0.57 2.45 5.08 0.11 -1.81 114.58 119.45 1x1f h GLU 132 Ca 0.60 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 59.10 1x1f h GLU 132 Cb 1.27 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.55 1x1f h GLU 132 CO -0.76 -0.19 0.06 0.28 -1.00 0.00 0.00 179.01 177.39 1x1f h VAL 133 N -0.81 0.59 0.04 3.13 2.07 0.18 0.27 116.25 121.72 1x1f h VAL 133 Ca -0.05 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1x1f h VAL 133 Cb 0.53 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1x1f h VAL 133 CO 0.09 0.03 -0.10 0.25 0.02 0.00 0.00 177.57 177.86 1x1f h LEU 134 N 0.18 -0.29 -1.92 2.57 5.85 0.97 0.21 115.31 122.88 1x1f h LEU 134 Ca 0.30 0.03 0.34 0.00 0.84 0.00 0.00 57.88 59.39 1x1f h LEU 134 Cb 0.46 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1x1f h LEU 134 CO -0.44 -0.11 0.84 -0.33 -0.34 0.00 0.00 178.44 178.06 1x1f h GLU 135 N -0.15 0.04 0.23 1.25 5.08 -0.88 0.73 114.58 120.88 1x1f h GLU 135 Ca -0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1x1f h GLU 135 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1x1f h GLU 135 CO -0.04 0.03 -0.11 0.00 -1.00 0.00 0.00 179.01 177.89 1x1f h ARG 136 N 0.04 -0.29 0.00 2.33 2.47 0.13 -2.92 114.38 116.15 1x1f h ARG 136 Ca 0.58 0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 59.25 1x1f h ARG 136 Cb 2.20 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 30.58 1x1f h ARG 136 CO -0.05 -0.02 -0.32 1.05 0.56 0.00 0.00 179.97 181.20 1x1f h GLU 137 N -0.56 0.00 -0.23 0.04 4.11 0.24 -3.13 114.58 115.05 1x1f h GLU 137 Ca -0.03 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.46 1x1f h GLU 137 Cb 0.41 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1x1f h GLU 137 CO 0.05 0.32 -0.18 0.87 0.07 0.00 0.00 179.01 180.13 1x1f h LYS 138 N 0.00 -0.18 -0.66 1.06 1.57 0.48 -1.04 116.57 117.80 1x1f h LYS 138 Ca -0.00 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1x1f h LYS 138 Cb 0.83 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.05 1x1f h LYS 138 CO 0.04 -0.12 -0.19 0.87 -0.57 0.00 0.00 179.45 179.48 1x1f h LYS 139 N -0.19 -0.03 -0.95 3.15 6.56 -1.46 0.14 116.57 123.80 1x1f h LYS 139 Ca 0.13 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 59.90 1x1f h LYS 139 Cb 0.38 0.01 -0.17 0.00 -0.57 0.00 0.00 32.23 31.88 1x1f h LYS 139 CO -0.34 -0.02 -0.29 -0.09 -2.06 0.00 0.00 179.45 176.65 1x1f h ARG 140 N -0.03 -0.01 -1.32 3.15 2.43 -1.31 1.21 114.38 118.50 1x1f h ARG 140 Ca 0.31 0.00 0.46 0.00 -0.81 0.00 0.00 59.98 59.94 1x1f h ARG 140 Cb 0.50 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.92 1x1f h ARG 140 CO -0.69 -0.01 0.85 0.54 -1.51 0.00 0.00 179.97 179.15 1x1f n ARG 141 N -5.55 -0.03 0.00 0.20 1.74 0.49 -1.60 116.66 111.91 1x1f n ARG 141 Ca 0.13 1.19 0.00 0.00 -0.77 0.00 0.00 57.85 58.40 1x1f n ARG 141 Cb 0.45 -2.36 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 1x1f n ARG 141 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1x1f n ILE 142 N -4.61 0.00 -2.55 0.55 5.41 0.42 -2.96 119.36 115.61 1x1f n ILE 142 Ca 0.39 0.96 -0.43 0.00 1.00 0.00 0.00 62.75 64.67 1x1f n ILE 142 Cb 1.50 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x1f n GLU 143 N -0.80 3.64 0.14 0.38 1.02 -0.63 -4.30 120.64 120.10 1x1f n GLU 143 Ca 0.00 -3.71 0.00 0.00 -0.02 0.00 0.00 57.16 53.43 1x1f n GLU 143 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 1x1f n GLU 143 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x1f n SER 144 N 4.00 -0.17 0.00 1.62 2.88 -1.16 -5.00 113.62 115.79 1x1f n SER 144 Ca 0.38 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1x1f n SER 144 Cb 0.37 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 1x1f n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 145 N 1.52 4.18 3.63 0.46 0.00 -1.25 -5.06 105.19 108.67 1x1f n GLY 145 Ca 0.00 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1x1f n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1f s PRO 146 N -2.88 3.87 -0.10 1.61 0.04 -1.26 -5.00 135.00 131.28 1x1f s PRO 146 Ca 0.00 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.33 1x1f s PRO 146 Cb 0.00 -3.91 0.01 0.00 0.04 0.00 0.00 34.50 30.64 1x1f s PRO 146 CO 0.00 -1.19 -0.16 -1.12 0.04 0.00 0.00 177.00 174.57 1x1f s SER 147 N 3.08 2.39 0.34 6.66 0.01 -1.26 -5.13 113.70 119.79 1x1f s SER 147 Ca 0.59 -0.42 0.09 0.00 1.31 0.00 0.00 55.95 57.52 1x1f s SER 147 Cb -0.17 -1.08 -0.06 0.00 0.21 0.00 0.00 66.02 64.92 1x1f s SER 147 CO 0.25 0.05 -0.03 -0.44 0.41 0.00 0.00 173.24 173.47 1x1f s SER 148 N 0.79 3.99 0.00 2.44 0.01 -1.26 -5.27 113.70 114.40 1x1f s SER 148 Ca -0.11 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.07 1x1f s SER 148 Cb -0.16 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1x1f s SER 148 CO 0.02 -0.23 0.22 0.61 0.41 0.00 0.00 173.24 174.28