#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 -7.34 -3.63 1.61 7.64 -1.26 -5.10 113.62 105.54 1x1f n SER 2 Ca 0.00 1.01 -0.03 0.00 1.01 0.00 0.00 58.87 60.85 1x1f n SER 2 Cb 0.00 -3.61 -0.01 0.00 -1.01 0.00 0.00 64.21 59.58 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 -2.50 -0.17 -0.14 6.43 1.04 -1.26 -5.19 113.70 111.90 1x1f s SER 3 Ca 0.00 -0.16 -0.34 0.00 0.48 0.00 0.00 55.95 55.93 1x1f s SER 3 Cb 0.00 0.30 0.13 0.00 0.10 0.00 0.00 66.02 66.56 1x1f s SER 3 CO 0.00 -0.54 1.25 -0.83 0.98 0.00 0.00 173.24 174.10 1x1f s GLY 4 N -2.71 -0.33 -0.18 7.32 0.00 -1.26 -5.18 107.32 104.99 1x1f s GLY 4 Ca 0.11 1.33 -0.19 0.00 0.00 0.00 0.00 44.72 45.96 1x1f s GLY 4 CO -0.03 0.41 0.54 -1.35 0.00 0.00 0.00 173.10 172.66 1x1f s SER 5 N -2.43 -0.55 0.05 1.64 1.04 -1.26 -5.17 113.70 107.02 1x1f s SER 5 Ca 0.11 1.00 -0.28 0.00 0.48 0.00 0.00 55.95 57.26 1x1f s SER 5 Cb 0.01 1.01 0.09 0.00 0.10 0.00 0.00 66.02 67.24 1x1f s SER 5 CO -0.04 -0.24 1.07 -0.94 0.98 0.00 0.00 173.24 174.08 1x1f s SER 6 N 0.07 -0.16 0.00 7.02 1.04 -1.26 -5.19 113.70 115.22 1x1f s SER 6 Ca -0.02 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1x1f s SER 6 Cb -0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1x1f s SER 6 CO 0.02 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1x1f n GLY 7 N -0.41 4.98 3.54 7.32 0.00 -1.26 -5.11 105.19 114.25 1x1f n GLY 7 Ca -0.07 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1x1f n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x1f s GLN 8 N 2.07 3.42 0.02 1.61 1.11 -1.26 -5.00 119.66 121.62 1x1f s GLN 8 Ca 0.00 -0.08 -0.13 0.00 0.01 0.00 0.00 55.36 55.16 1x1f s GLN 8 Cb 0.00 -3.94 0.02 0.00 -1.01 0.00 0.00 33.01 28.08 1x1f s GLN 8 CO 0.00 -1.14 0.28 -1.83 0.01 0.00 0.00 175.29 172.61 1x1f s GLU 9 N 3.37 0.73 -0.28 2.91 -1.05 -1.26 -5.14 118.70 117.98 1x1f s GLU 9 Ca 0.31 -0.41 -0.07 0.00 -0.15 0.00 0.00 54.97 54.65 1x1f s GLU 9 Cb -0.12 0.32 -0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1x1f s GLU 9 CO 0.23 -0.22 0.07 1.03 0.95 0.00 0.00 175.26 177.32 1x1f s ARG 10 N -2.07 3.27 -0.07 -4.83 3.00 -1.26 -4.99 118.95 112.00 1x1f s ARG 10 Ca -0.08 -0.73 -0.08 0.00 0.00 0.00 0.00 55.73 54.84 1x1f s ARG 10 Cb -0.03 -3.32 -0.05 0.00 0.00 0.00 0.00 34.95 31.55 1x1f s ARG 10 CO -0.00 -0.35 0.30 -0.07 0.00 0.00 0.00 175.30 175.17 1x1f h LEU 11 N 8.22 -0.19 0.00 2.53 -0.00 -2.03 -3.49 115.31 120.36 1x1f h LEU 11 Ca -0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1x1f h LEU 11 Cb 1.14 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1x1f h LEU 11 CO 0.60 0.30 0.00 2.29 -0.00 0.00 0.00 178.44 181.63 1x1f n LYS 12 N -4.92 0.00 -4.04 1.13 2.85 -1.26 -4.73 118.16 107.18 1x1f n LYS 12 Ca -0.03 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.02 1x1f n LYS 12 Cb 0.11 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.32 1x1f n LYS 12 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1x1f s ILE 13 N 0.00 0.47 0.19 0.58 1.09 -1.26 -4.97 121.20 117.30 1x1f s ILE 13 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 60.65 59.50 1x1f s ILE 13 Cb 0.00 -0.54 0.00 0.00 -1.06 0.00 0.00 42.46 40.86 1x1f s ILE 13 CO 0.00 0.23 0.00 0.41 -0.10 0.00 0.00 174.94 175.48 1x1f n THR 14 N 4.34 0.00 -4.70 2.92 -1.04 -1.26 -5.15 114.28 109.39 1x1f n THR 14 Ca -0.21 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.49 1x1f n THR 14 Cb 0.51 -0.10 -0.08 0.00 -1.82 0.00 0.00 70.33 68.83 1x1f n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x1f s ALA 15 N -2.00 3.85 -0.82 2.41 0.00 -1.26 -5.01 121.76 118.94 1x1f s ALA 15 Ca 0.00 -0.95 -0.35 0.00 0.00 0.00 0.00 51.96 50.65 1x1f s ALA 15 Cb 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 23.12 22.96 1x1f s ALA 15 CO 0.00 -0.06 2.50 -0.11 0.00 0.00 0.00 175.76 178.09 1x1f n LEU 16 N -1.19 0.49 -4.72 0.00 7.94 -1.26 -4.81 117.00 113.44 1x1f n LEU 16 Ca -0.15 0.35 -0.42 0.00 -1.11 0.00 0.00 56.01 54.68 1x1f n LEU 16 Cb 0.67 -0.92 -0.03 0.00 0.53 0.00 0.00 43.42 43.66 1x1f n LEU 16 CO 0.41 -0.75 0.84 -2.16 -1.11 0.00 0.00 177.39 174.63 1x1f s PRO 17 N 7.93 4.49 0.29 1.96 0.04 -1.26 -4.85 135.00 143.60 1x1f s PRO 17 Ca 1.30 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 63.78 1x1f s PRO 17 Cb -1.33 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 29.78 1x1f s PRO 17 CO 0.55 -0.14 1.17 -1.17 0.04 0.00 0.00 177.00 177.45 1x1f s LEU 18 N 0.58 4.51 -0.05 -3.56 2.96 -1.26 -3.37 118.68 118.48 1x1f s LEU 18 Ca 0.55 2.40 0.01 0.00 -0.22 0.00 0.00 54.13 56.87 1x1f s LEU 18 Cb -0.29 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.73 1x1f s LEU 18 CO 0.31 -0.28 -0.03 -1.22 -1.32 0.00 0.00 176.35 173.81 1x1f n TYR 19 N 1.16 0.00 -3.52 5.38 4.01 -0.41 -5.00 117.16 118.77 1x1f n TYR 19 Ca -0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 1x1f n TYR 19 Cb 0.44 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 39.20 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 -2.11 -0.62 -0.17 -0.72 5.36 -1.24 -5.03 117.98 113.45 1x1f s PHE 20 Ca -0.06 1.05 -0.12 0.00 -0.96 0.00 0.00 56.93 56.84 1x1f s PHE 20 Cb 0.02 0.42 0.05 0.00 -0.34 0.00 0.00 43.02 43.17 1x1f s PHE 20 CO 0.14 -0.58 0.42 -1.83 -1.46 0.00 0.00 175.22 171.91 1x1f s GLU 21 N -1.24 0.45 0.00 10.12 -1.05 -1.26 -0.30 118.70 125.42 1x1f s GLU 21 Ca -0.10 0.70 0.00 0.00 -0.15 0.00 0.00 54.97 55.42 1x1f s GLU 21 Cb -0.00 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1x1f s GLU 21 CO 0.08 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.60 1x1f n GLY 22 N 3.54 1.16 3.15 -3.83 0.00 -1.14 -5.06 105.19 103.01 1x1f n GLY 22 Ca -0.18 0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.02 0.33 -3.81 1.61 3.72 -1.26 -4.10 117.46 113.92 1x1f n PHE 23 Ca 0.00 0.22 -0.28 0.00 -0.05 0.00 0.00 57.45 57.34 1x1f n PHE 23 Cb 0.00 -1.54 -0.03 0.00 -0.94 0.00 0.00 39.48 36.96 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 5.24 4.29 -0.20 4.37 2.96 -1.11 -4.81 118.68 129.42 1x1f s LEU 24 Ca 1.21 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 55.39 1x1f s LEU 24 Cb -1.00 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 42.59 1x1f s LEU 24 CO 0.47 0.04 0.02 -0.76 -1.32 0.00 0.00 176.35 174.79 1x1f s LEU 25 N -3.05 3.40 -0.11 -0.68 1.43 -1.04 -2.44 118.68 116.19 1x1f s LEU 25 Ca 0.37 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1x1f s LEU 25 Cb -0.12 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1x1f s LEU 25 CO 0.28 0.09 -0.12 -0.63 0.23 0.00 0.00 176.35 176.20 1x1f s ILE 26 N 0.87 3.21 -0.42 -0.59 -1.09 -0.67 -2.18 121.20 120.34 1x1f s ILE 26 Ca 0.02 -0.63 0.10 0.00 -2.23 0.00 0.00 60.65 57.91 1x1f s ILE 26 Cb -0.14 -2.33 0.39 0.00 -1.58 0.00 0.00 42.46 38.80 1x1f s ILE 26 CO 0.02 0.54 0.93 1.17 -1.23 0.00 0.00 174.94 176.38 1x1f n LYS 27 N 3.09 2.10 -0.73 2.79 4.81 -0.90 -0.96 118.16 128.37 1x1f n LYS 27 Ca -0.18 -3.94 -0.27 0.00 -0.87 0.00 0.00 58.31 53.05 1x1f n LYS 27 Cb 0.53 -1.82 0.11 0.00 0.02 0.00 0.00 35.03 33.86 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 -0.11 -1.19 -2.12 1.64 1.74 -1.26 -4.08 116.66 111.27 1x1f n ARG 28 Ca 0.25 -0.34 -0.40 0.00 -0.77 0.00 0.00 57.85 56.58 1x1f n ARG 28 Cb 0.64 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.68 1x1f n ARG 28 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x1f s SER 29 N -1.56 5.63 0.00 0.55 0.15 -1.26 -2.15 113.70 115.05 1x1f s SER 29 Ca 0.40 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1x1f s SER 29 Cb -0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1x1f s SER 29 CO 0.51 -2.06 0.00 0.61 1.20 0.00 0.00 173.24 173.50 1x1f n GLY 30 N 5.53 1.79 3.42 9.45 0.00 -1.26 -5.09 105.19 119.02 1x1f n GLY 30 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1x1f n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1f s TYR 31 N -2.00 3.21 0.49 1.61 1.51 -0.92 -4.92 117.35 116.34 1x1f s TYR 31 Ca 0.00 -0.76 0.43 0.00 -1.01 0.00 0.00 57.07 55.73 1x1f s TYR 31 Cb 0.00 -3.10 1.55 0.00 -0.11 0.00 0.00 41.96 40.30 1x1f s TYR 31 CO 0.00 -0.79 1.43 0.54 -1.11 0.00 0.00 175.55 175.62 1x1f n ARG 32 N 5.38 -0.01 -3.64 -0.62 5.12 -1.26 -4.54 116.66 117.09 1x1f n ARG 32 Ca -0.11 1.02 -0.02 0.00 -1.93 0.00 0.00 57.85 56.81 1x1f n ARG 32 Cb 0.45 -2.29 -0.03 0.00 -1.16 0.00 0.00 32.46 29.43 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1x1f s GLU 33 N -4.76 0.05 -0.17 5.56 -1.05 -1.26 -5.12 118.70 111.94 1x1f s GLU 33 Ca -0.05 0.00 -0.41 0.00 -0.15 0.00 0.00 54.97 54.36 1x1f s GLU 33 Cb 0.25 0.02 -0.19 0.00 -0.44 0.00 0.00 34.13 33.78 1x1f s GLU 33 CO 0.81 -0.02 1.39 0.66 0.95 0.00 0.00 175.26 179.05 1x1f n TYR 34 N 0.34 1.37 -4.01 4.83 4.01 -1.26 -4.86 117.16 117.57 1x1f n TYR 34 Ca 0.02 0.91 -0.33 0.00 -0.16 0.00 0.00 57.90 58.34 1x1f n TYR 34 Cb 0.58 -2.24 -0.06 0.00 -0.31 0.00 0.00 39.34 37.31 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 1.55 3.24 -0.30 -0.72 0.41 -0.13 -4.87 118.70 117.88 1x1f s GLU 35 Ca 0.95 -0.39 -0.16 0.00 -0.41 0.00 0.00 54.97 54.96 1x1f s GLU 35 Cb -1.24 -2.97 -0.03 0.00 -1.78 0.00 0.00 34.13 28.11 1x1f s GLU 35 CO 0.64 0.67 0.41 -1.01 -0.49 0.00 0.00 175.26 175.48 1x1f s HIS 36 N -1.23 3.23 -0.06 1.61 3.76 -1.26 -1.67 115.29 119.67 1x1f s HIS 36 Ca 0.24 0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 55.42 1x1f s HIS 36 Cb -0.12 -2.67 0.02 0.00 1.11 0.00 0.00 32.58 30.92 1x1f s HIS 36 CO 0.15 -0.33 0.16 0.71 -0.85 0.00 0.00 174.74 174.58 1x1f s TYR 37 N 2.15 -0.18 -0.71 1.40 2.02 -1.02 -4.91 117.35 116.10 1x1f s TYR 37 Ca 0.16 0.46 -0.26 0.00 -0.37 0.00 0.00 57.07 57.06 1x1f s TYR 37 Cb -0.16 0.01 -0.12 0.00 -0.40 0.00 0.00 41.96 41.30 1x1f s TYR 37 CO 0.11 -0.12 2.40 -0.46 -1.57 0.00 0.00 175.55 175.91 1x1f s TRP 38 N 0.53 1.13 0.07 2.71 -0.11 0.50 -2.77 118.94 121.00 1x1f s TRP 38 Ca -0.04 1.85 -0.28 0.00 1.22 0.00 0.00 56.10 58.85 1x1f s TRP 38 Cb -0.05 -3.49 -0.05 0.00 -1.50 0.00 0.00 33.47 28.38 1x1f s TRP 38 CO -0.03 -1.84 0.90 0.99 -4.62 0.00 0.00 176.95 172.35 1x1f s THR 39 N 14.00 4.65 -0.13 5.86 2.01 -1.26 -0.27 115.64 140.49 1x1f s THR 39 Ca 0.93 1.92 0.01 0.00 0.31 0.00 0.00 61.69 64.87 1x1f s THR 39 Cb -0.14 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.13 1x1f s THR 39 CO 0.13 0.30 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.59 1x1f s GLU 40 N 0.18 2.46 -0.21 4.92 2.02 0.39 -2.90 118.70 125.56 1x1f s GLU 40 Ca 0.45 -0.64 -0.19 0.00 0.02 0.00 0.00 54.97 54.61 1x1f s GLU 40 Cb -0.22 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 1x1f s GLU 40 CO 0.27 -0.13 0.55 -1.17 0.02 0.00 0.00 175.26 174.80 1x1f s LEU 41 N 1.16 4.13 -0.14 1.80 0.20 0.58 -1.43 118.68 124.98 1x1f s LEU 41 Ca -0.02 0.69 -0.06 0.00 0.69 0.00 0.00 54.13 55.43 1x1f s LEU 41 Cb -0.14 -2.75 0.06 0.00 -0.43 0.00 0.00 46.19 42.93 1x1f s LEU 41 CO -0.06 -0.22 0.31 -0.13 -0.29 0.00 0.00 176.35 175.96 1x1f s ARG 42 N 1.81 0.25 3.07 1.98 0.52 -1.23 -1.29 118.95 124.07 1x1f s ARG 42 Ca 0.25 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.15 1x1f s ARG 42 Cb -0.16 -0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.28 1x1f s ARG 42 CO 0.10 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1x1f n GLY 43 N 4.58 0.31 0.51 -3.53 0.00 -1.22 -1.04 105.19 104.82 1x1f n GLY 43 Ca -0.19 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.33 2.61 -2.24 -1.26 -4.81 114.28 104.25 1x1f n THR 44 Ca 0.00 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 1x1f n THR 44 Cb 0.00 0.35 -0.17 0.00 -2.10 0.00 0.00 70.33 68.41 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 1.54 0.06 4.28 2.01 -0.20 -3.61 115.64 119.71 1x1f s THR 45 Ca 0.00 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 1x1f s THR 45 Cb 0.00 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 1x1f s THR 45 CO -0.00 0.45 0.98 -0.76 -0.69 0.00 0.00 174.62 174.59 1x1f s LEU 46 N 1.14 4.44 -0.14 4.42 1.43 0.64 -3.47 118.68 127.13 1x1f s LEU 46 Ca -0.03 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 1x1f s LEU 46 Cb -0.14 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1x1f s LEU 46 CO -0.04 -0.16 -0.21 -0.36 0.23 0.00 0.00 176.35 175.80 1x1f s PHE 47 N 0.45 2.65 -0.11 0.29 0.40 -0.52 0.26 117.98 121.39 1x1f s PHE 47 Ca 0.49 -1.36 -0.04 0.00 -0.60 0.00 0.00 56.93 55.43 1x1f s PHE 47 Cb -0.23 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1x1f s PHE 47 CO 0.29 -0.63 0.03 -0.06 0.70 0.00 0.00 175.22 175.55 1x1f s PHE 48 N 0.88 3.23 -0.05 0.36 0.08 0.23 0.15 117.98 122.86 1x1f s PHE 48 Ca -0.06 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.18 1x1f s PHE 48 Cb -0.15 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1x1f s PHE 48 CO -0.03 0.42 -0.03 0.71 -0.10 0.00 0.00 175.22 176.18 1x1f s TYR 49 N -0.59 0.74 0.46 0.36 2.02 0.63 0.55 117.35 121.53 1x1f s TYR 49 Ca 0.10 -0.21 0.12 0.00 -0.37 0.00 0.00 57.07 56.71 1x1f s TYR 49 Cb -0.12 -0.70 1.06 0.00 -0.40 0.00 0.00 41.96 41.80 1x1f s TYR 49 CO 0.02 -0.23 2.09 1.79 -1.57 0.00 0.00 175.55 177.66 1x1f h THR 50 N 6.18 1.06 -1.87 -0.71 1.35 -1.90 1.47 112.91 118.50 1x1f h THR 50 Ca -0.34 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1x1f h THR 50 Cb 1.15 0.83 -0.22 0.00 -1.73 0.00 0.00 68.15 68.17 1x1f h THR 50 CO 0.43 0.06 0.26 -1.81 -0.25 0.00 0.00 175.52 174.21 1x1f s ASP 51 N -6.90 -0.62 0.33 5.36 1.01 -1.26 -4.63 116.67 109.96 1x1f s ASP 51 Ca -0.06 1.01 0.11 0.00 0.71 0.00 0.00 52.55 54.31 1x1f s ASP 51 Cb 0.17 0.96 0.98 0.00 1.01 0.00 0.00 42.92 46.03 1x1f s ASP 51 CO 0.70 -0.34 1.65 0.11 0.21 0.00 0.00 175.17 177.50 1x1f h LYS 52 N 4.00 0.25 -0.87 8.23 1.57 -1.96 1.36 116.57 129.15 1x1f h LYS 52 Ca -0.27 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1x1f h LYS 52 Cb 1.16 -0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.31 1x1f h LYS 52 CO 0.19 0.17 0.44 0.87 -0.57 0.00 0.00 179.45 180.54 1x1f h LYS 53 N 0.26 0.57 -6.04 3.15 1.79 -1.98 -3.41 116.57 110.91 1x1f h LYS 53 Ca 0.68 -0.03 -0.82 0.00 -2.18 0.00 0.00 60.65 58.30 1x1f h LYS 53 Cb 1.52 -0.13 0.03 0.00 -1.58 0.00 0.00 32.23 32.07 1x1f h LYS 53 CO -0.64 0.38 0.51 0.43 -1.08 0.00 0.00 179.45 179.04 1x1f n SER 54 N -4.90 1.02 0.08 0.86 7.64 0.47 -4.84 113.62 113.95 1x1f n SER 54 Ca 0.18 1.16 -0.22 0.00 1.01 0.00 0.00 58.87 61.01 1x1f n SER 54 Cb 0.48 -0.95 -0.14 0.00 -1.01 0.00 0.00 64.21 62.59 1x1f n SER 54 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1x1f h ILE 55 N 4.29 1.40 -3.73 0.44 5.03 -1.85 -3.45 117.51 119.65 1x1f h ILE 55 Ca -0.47 -2.52 -0.68 0.00 -0.12 0.00 0.00 64.86 61.07 1x1f h ILE 55 Cb 1.38 3.01 -0.20 0.00 -3.03 0.00 0.00 36.82 37.98 1x1f h ILE 55 CO 0.86 0.74 -0.71 0.27 -0.68 0.00 0.00 178.15 178.63 1x1f s ILE 56 N -2.66 3.56 0.17 -0.67 -5.25 -1.26 -5.08 121.20 110.01 1x1f s ILE 56 Ca -0.12 -0.53 -0.32 0.00 -0.99 0.00 0.00 60.65 58.70 1x1f s ILE 56 Cb 0.03 -2.45 -0.11 0.00 2.95 0.00 0.00 42.46 42.88 1x1f s ILE 56 CO 0.88 0.59 1.70 -0.72 -1.79 0.00 0.00 174.94 175.61 1x1f s TYR 57 N -0.73 2.74 0.29 1.37 -0.85 -1.26 -4.87 117.35 114.04 1x1f s TYR 57 Ca 0.11 0.33 0.03 0.00 -0.52 0.00 0.00 57.07 57.02 1x1f s TYR 57 Cb -0.11 -4.08 0.65 0.00 0.38 0.00 0.00 41.96 38.80 1x1f s TYR 57 CO 0.01 -4.19 1.78 -0.24 -1.52 0.00 0.00 175.55 171.40 1x1f h VAL 58 N 4.13 0.75 -2.07 -3.49 3.04 -0.26 -3.44 116.25 114.91 1x1f h VAL 58 Ca -0.44 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 1x1f h VAL 58 Cb 1.21 -0.09 -0.19 0.00 -2.01 0.00 0.00 31.29 30.21 1x1f h VAL 58 CO 0.94 0.14 0.33 -1.81 -1.01 0.00 0.00 177.57 176.16 1x1f s ASP 59 N -5.47 -0.53 0.17 3.17 1.01 -1.13 -5.03 116.67 108.86 1x1f s ASP 59 Ca -0.12 0.44 0.06 0.00 0.71 0.00 0.00 52.55 53.64 1x1f s ASP 59 Cb 0.24 0.47 -0.04 0.00 1.01 0.00 0.00 42.92 44.59 1x1f s ASP 59 CO 0.80 -0.60 -0.12 -1.59 0.21 0.00 0.00 175.17 173.87 1x1f s LYS 60 N -1.80 1.16 0.15 8.23 -2.85 -1.26 0.78 119.74 124.14 1x1f s LYS 60 Ca -0.05 -1.50 0.03 0.00 -1.00 0.00 0.00 55.97 53.45 1x1f s LYS 60 Cb -0.00 -0.82 -0.04 0.00 -2.06 0.00 0.00 37.83 34.90 1x1f s LYS 60 CO 0.02 0.12 -0.05 -0.51 0.10 0.00 0.00 175.35 175.03 1x1f s LEU 61 N -3.21 2.35 -0.09 2.77 1.43 0.14 -4.97 118.68 117.12 1x1f s LEU 61 Ca 0.19 -1.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 1x1f s LEU 61 Cb 0.01 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 46.09 1x1f s LEU 61 CO 0.03 -0.47 -0.17 -0.62 0.23 0.00 0.00 176.35 175.34 1x1f s ASP 62 N -3.14 2.42 -0.09 2.29 2.15 -1.26 -0.26 116.67 118.78 1x1f s ASP 62 Ca 0.18 -0.43 0.13 0.00 0.43 0.00 0.00 52.55 52.87 1x1f s ASP 62 Cb 0.05 -1.11 0.26 0.00 -0.30 0.00 0.00 42.92 41.82 1x1f s ASP 62 CO 0.01 0.08 1.13 2.30 -0.17 0.00 0.00 175.17 178.51 1x1f n ILE 63 N 3.78 1.12 0.06 4.11 -5.35 -1.24 -4.74 119.36 117.10 1x1f n ILE 63 Ca -0.21 -1.63 -0.08 0.00 -0.27 0.00 0.00 62.75 60.57 1x1f n ILE 63 Cb 0.52 0.17 0.07 0.00 -1.74 0.00 0.00 39.64 38.66 1x1f n ILE 63 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1x1f h VAL 64 N 3.28 1.37 -0.45 7.28 3.04 -1.91 -2.53 116.25 126.34 1x1f h VAL 64 Ca -0.04 -2.02 0.00 0.00 -1.01 0.00 0.00 66.70 63.63 1x1f h VAL 64 Cb 1.26 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 32.55 1x1f h VAL 64 CO 0.02 0.61 0.00 -0.67 -1.01 0.00 0.00 177.57 176.51 1x1f n ASP 65 N -3.87 2.96 -4.55 3.17 2.03 -1.26 -4.96 116.55 110.07 1x1f n ASP 65 Ca -0.03 -2.16 -0.56 0.00 0.52 0.00 0.00 54.79 52.55 1x1f n ASP 65 Cb 0.65 -0.40 -0.07 0.00 -0.72 0.00 0.00 41.12 40.58 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1x1f n LEU 66 N 0.76 0.78 0.07 -2.67 7.94 -0.96 -4.28 117.00 118.65 1x1f n LEU 66 Ca 0.16 1.14 -0.22 0.00 -1.11 0.00 0.00 56.01 55.99 1x1f n LEU 66 Cb 0.53 -1.04 -0.15 0.00 0.53 0.00 0.00 43.42 43.29 1x1f n LEU 66 CO 0.14 -1.47 -0.51 0.74 -1.11 0.00 0.00 177.39 175.17 1x1f h THR 67 N 3.27 0.96 -1.96 1.96 2.02 0.42 -3.49 112.91 116.09 1x1f h THR 67 Ca -0.49 -2.56 0.36 0.00 0.77 0.00 0.00 66.41 64.49 1x1f h THR 67 Cb 1.39 2.75 -0.07 0.00 -1.74 0.00 0.00 68.15 70.48 1x1f h THR 67 CO 0.72 0.85 0.91 0.00 0.37 0.00 0.00 175.52 178.37 1x1f s LEU 69 N 0.00 1.35 0.46 0.00 0.20 -1.26 -1.37 118.68 118.06 1x1f s LEU 69 Ca 0.29 -0.22 0.08 0.00 0.69 0.00 0.00 54.13 54.98 1x1f s LEU 69 Cb -0.00 -0.66 0.01 0.00 -0.43 0.00 0.00 46.19 45.11 1x1f s LEU 69 CO -0.02 -0.05 0.51 0.42 -0.29 0.00 0.00 176.35 176.92 1x1f s THR 70 N 1.06 2.55 -0.16 3.68 -4.23 -1.17 -4.93 115.64 112.44 1x1f s THR 70 Ca -0.08 -1.20 -0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1x1f s THR 70 Cb -0.14 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 70.98 1x1f s THR 70 CO -0.01 0.00 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.41 1x1f s GLU 71 N -4.30 1.46 0.39 3.99 2.02 -1.26 -2.54 118.70 118.46 1x1f s GLU 71 Ca 0.51 -0.50 -0.18 0.00 0.02 0.00 0.00 54.97 54.81 1x1f s GLU 71 Cb -0.05 -1.98 -0.10 0.00 0.10 0.00 0.00 34.13 32.09 1x1f s GLU 71 CO 0.30 -0.42 0.87 -0.65 0.02 0.00 0.00 175.26 175.39 1x1f s GLN 72 N 1.63 4.13 -0.05 1.61 -1.52 0.14 -4.71 119.66 120.90 1x1f s GLN 72 Ca 0.01 0.94 -0.04 0.00 -1.95 0.00 0.00 55.36 54.32 1x1f s GLN 72 Cb -0.15 -2.27 0.02 0.00 -0.22 0.00 0.00 33.01 30.38 1x1f s GLN 72 CO -0.08 0.03 0.08 0.09 -0.25 0.00 0.00 175.29 175.16 1x1f n ASN 73 N -0.59 -4.68 -4.55 5.90 3.02 -1.26 -4.61 115.26 108.48 1x1f n ASN 73 Ca 0.06 1.24 -0.43 0.00 -0.03 0.00 0.00 54.58 55.42 1x1f n ASN 73 Cb 0.54 -4.21 -0.04 0.00 -0.61 0.00 0.00 39.78 35.46 1x1f n ASN 73 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x1f s SER 74 N -0.47 6.44 -0.15 6.41 1.04 -1.26 -4.50 113.70 121.21 1x1f s SER 74 Ca -0.10 -0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 1x1f s SER 74 Cb 0.01 -2.47 0.01 0.00 0.10 0.00 0.00 66.02 63.66 1x1f s SER 74 CO 0.26 -1.21 0.03 0.41 0.98 0.00 0.00 173.24 173.71 1x1f n THR 75 N 6.42 -7.36 0.00 2.02 -1.04 -1.26 -5.04 114.28 108.02 1x1f n THR 75 Ca 0.05 1.29 0.00 0.00 -2.04 0.00 0.00 64.05 63.36 1x1f n THR 75 Cb 0.48 -4.99 0.00 0.00 -1.82 0.00 0.00 70.33 64.00 1x1f n THR 75 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1x1f n GLU 76 N 1.26 0.00 -1.16 -2.82 2.13 -1.26 -5.15 120.64 113.64 1x1f n GLU 76 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1x1f n GLU 76 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.98 1x1f n GLU 76 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1x1f n LYS 77 N 0.00 -3.32 -2.63 5.31 3.00 -1.26 -4.71 118.16 114.55 1x1f n LYS 77 Ca 0.00 2.46 -0.42 0.00 -0.00 0.00 0.00 58.31 60.36 1x1f n LYS 77 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 35.03 32.24 1x1f n LYS 77 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1x1f s ASN 78 N -2.85 6.25 -0.05 3.14 0.01 -1.26 -4.87 114.94 115.31 1x1f s ASN 78 Ca 0.00 -0.82 -0.30 0.00 -0.71 0.00 0.00 52.86 51.03 1x1f s ASN 78 Cb 0.00 -2.53 0.10 0.00 0.41 0.00 0.00 41.25 39.24 1x1f s ASN 78 CO 0.00 -1.66 1.33 0.00 -1.51 0.00 0.00 177.10 175.26 1x1f s ALA 80 N -2.03 1.16 -0.07 0.00 0.00 -1.26 -4.75 121.76 114.81 1x1f s ALA 80 Ca 0.29 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1x1f s ALA 80 Cb 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1x1f s ALA 80 CO -0.02 -0.18 -0.02 0.15 0.00 0.00 0.00 175.76 175.69 1x1f s LYS 81 N 1.25 0.79 0.07 0.00 1.02 -1.26 -3.90 119.74 117.71 1x1f s LYS 81 Ca -0.04 0.01 0.01 0.00 0.02 0.00 0.00 55.97 55.97 1x1f s LYS 81 Cb -0.14 -1.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.11 1x1f s LYS 81 CO -0.03 -0.25 -0.06 -0.59 -0.92 0.00 0.00 175.35 173.51 1x1f s PHE 82 N 1.69 0.72 -0.24 3.18 -0.12 -1.25 -0.68 117.98 121.28 1x1f s PHE 82 Ca 0.01 -0.84 -0.00 0.00 -0.05 0.00 0.00 56.93 56.05 1x1f s PHE 82 Cb -0.13 -0.44 0.03 0.00 -0.63 0.00 0.00 43.02 41.85 1x1f s PHE 82 CO -0.04 -0.19 -0.09 0.99 -0.05 0.00 0.00 175.22 175.84 1x1f s THR 83 N -3.07 2.62 -0.52 -4.49 2.01 -1.05 -2.24 115.64 108.89 1x1f s THR 83 Ca 0.04 -1.15 -0.27 0.00 0.31 0.00 0.00 61.69 60.63 1x1f s THR 83 Cb 0.02 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1x1f s THR 83 CO -0.05 0.19 2.04 -0.76 -0.69 0.00 0.00 174.62 175.35 1x1f s LEU 84 N 1.27 3.36 -0.21 4.42 1.02 0.10 -3.02 118.68 125.62 1x1f s LEU 84 Ca -0.01 0.77 -0.29 0.00 0.02 0.00 0.00 54.13 54.62 1x1f s LEU 84 Cb -0.17 -2.70 -0.01 0.00 0.02 0.00 0.00 46.19 43.33 1x1f s LEU 84 CO -0.06 -2.42 1.25 -0.69 0.02 0.00 0.00 176.35 174.44 1x1f s VAL 85 N 9.71 4.29 0.21 -1.59 1.01 -0.47 -1.77 120.40 131.79 1x1f s VAL 85 Ca 0.80 1.53 0.10 0.00 0.00 0.00 0.00 61.98 64.41 1x1f s VAL 85 Cb -0.16 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1x1f s VAL 85 CO 0.25 -0.24 -0.20 -0.76 0.00 0.00 0.00 175.10 174.15 1x1f s LEU 86 N 3.71 2.49 0.00 3.92 1.43 -1.23 0.11 118.68 129.11 1x1f s LEU 86 Ca 0.54 -0.93 0.23 0.00 -1.03 0.00 0.00 54.13 52.94 1x1f s LEU 86 Cb -0.19 -0.98 1.38 0.00 0.03 0.00 0.00 46.19 46.43 1x1f s LEU 86 CO 0.16 0.01 1.76 -0.81 0.23 0.00 0.00 176.35 177.70 1x1f n PRO 87 N -0.06 0.75 -0.00 1.29 -0.04 -1.26 -3.66 135.00 132.01 1x1f n PRO 87 Ca -0.10 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1x1f n PRO 87 Cb 0.58 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.99 0.18 -3.60 0.54 5.02 -1.26 -5.10 118.16 112.95 1x1f n LYS 88 Ca 0.17 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1x1f n LYS 88 Cb 0.08 -0.81 -0.07 0.00 -0.02 0.00 0.00 35.03 34.21 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 -2.28 0.92 -0.01 1.97 2.12 -1.24 -5.15 118.70 115.04 1x1f s GLU 89 Ca -0.10 0.18 -0.22 0.00 0.36 0.00 0.00 54.97 55.19 1x1f s GLU 89 Cb 0.02 0.43 -0.05 0.00 0.26 0.00 0.00 34.13 34.79 1x1f s GLU 89 CO 0.14 -0.27 0.66 -1.21 -0.54 0.00 0.00 175.26 174.04 1x1f s GLU 90 N -1.10 4.39 0.02 4.30 2.02 -1.26 -3.55 118.70 123.51 1x1f s GLU 90 Ca -0.11 0.84 0.05 0.00 0.02 0.00 0.00 54.97 55.77 1x1f s GLU 90 Cb -0.02 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 1x1f s GLU 90 CO 0.08 0.29 -0.10 0.08 0.02 0.00 0.00 175.26 175.62 1x1f s VAL 91 N 0.04 3.41 -0.11 2.63 1.01 -0.73 -4.44 120.40 122.22 1x1f s VAL 91 Ca 0.34 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1x1f s VAL 91 Cb -0.19 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1x1f s VAL 91 CO 0.19 0.36 0.05 -1.10 0.00 0.00 0.00 175.10 174.59 1x1f s GLN 92 N -1.48 3.22 0.13 2.72 -0.21 -1.26 0.01 119.66 122.79 1x1f s GLN 92 Ca 0.17 -0.32 0.06 0.00 0.02 0.00 0.00 55.36 55.29 1x1f s GLN 92 Cb -0.11 -2.95 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1x1f s GLN 92 CO 0.07 0.68 -0.14 -0.51 -2.12 0.00 0.00 175.29 173.27 1x1f s LEU 93 N -0.79 2.41 -0.06 2.90 1.02 -0.95 -2.11 118.68 121.10 1x1f s LEU 93 Ca 0.12 -0.82 -0.20 0.00 0.02 0.00 0.00 54.13 53.25 1x1f s LEU 93 Cb -0.12 -0.58 0.04 0.00 0.02 0.00 0.00 46.19 45.56 1x1f s LEU 93 CO 0.03 -0.14 0.47 -0.75 0.02 0.00 0.00 176.35 175.98 1x1f s LYS 94 N -2.71 0.77 0.10 1.70 2.36 -0.92 -3.75 119.74 117.28 1x1f s LYS 94 Ca 0.10 0.15 0.06 0.00 -2.55 0.00 0.00 55.97 53.73 1x1f s LYS 94 Cb -0.05 0.36 -0.03 0.00 -1.05 0.00 0.00 37.83 37.05 1x1f s LYS 94 CO 0.03 -0.20 -0.15 0.95 1.55 0.00 0.00 175.35 177.53 1x1f s THR 95 N -0.92 1.32 0.11 3.43 -4.23 -1.25 -2.49 115.64 111.61 1x1f s THR 95 Ca -0.10 -1.55 -0.31 0.00 -1.18 0.00 0.00 61.69 58.55 1x1f s THR 95 Cb -0.03 -1.38 -0.10 0.00 1.34 0.00 0.00 72.50 72.33 1x1f s THR 95 CO 0.05 -0.29 1.59 -0.33 -0.54 0.00 0.00 174.62 175.10 1x1f h GLU 96 N 3.86 -0.62 -5.75 3.99 5.08 -1.94 -3.44 114.58 115.76 1x1f h GLU 96 Ca -0.41 0.04 -0.62 0.00 -1.00 0.00 0.00 59.36 57.37 1x1f h GLU 96 Cb 1.19 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.46 1x1f h GLU 96 CO 0.45 -0.41 -0.61 -0.80 -1.00 0.00 0.00 179.01 176.64 1x1f s ASN 97 N -4.72 3.91 0.21 1.42 0.01 -1.26 -4.95 114.94 109.56 1x1f s ASN 97 Ca -0.16 -1.29 -0.09 0.00 -0.71 0.00 0.00 52.86 50.61 1x1f s ASN 97 Cb 0.07 -0.40 0.17 0.00 0.41 0.00 0.00 41.25 41.50 1x1f s ASN 97 CO 0.63 -0.40 1.84 0.00 -1.51 0.00 0.00 177.10 177.66 1x1f h THR 98 N 1.80 1.24 -0.36 1.60 1.03 -1.85 -3.09 112.91 113.27 1x1f h THR 98 Ca -0.43 -0.59 0.04 0.00 -0.01 0.00 0.00 66.41 65.42 1x1f h THR 98 Cb 1.24 0.16 -0.05 0.00 -1.07 0.00 0.00 68.15 68.43 1x1f h THR 98 CO 0.77 0.26 -0.31 -0.33 -0.01 0.00 0.00 175.52 175.90 1x1f h GLU 99 N 1.12 -0.12 -0.84 0.00 4.39 -1.96 0.17 114.58 117.34 1x1f h GLU 99 Ca 0.28 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.19 1x1f h GLU 99 Cb 0.03 0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 28.55 1x1f h GLU 99 CO -0.05 -0.08 -0.05 0.77 -1.16 0.00 0.00 179.01 178.44 1x1f h SER 100 N -0.13 -0.51 0.00 1.42 0.02 -1.95 -0.83 113.55 111.58 1x1f h SER 100 Ca 0.06 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1x1f h SER 100 Cb 0.28 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1x1f h SER 100 CO -0.40 -0.25 0.00 0.61 -1.14 0.00 0.00 176.83 175.65 1x1f n GLY 101 N -1.48 -2.91 0.57 -3.77 0.00 0.50 0.06 105.19 98.17 1x1f n GLY 101 Ca 0.15 0.37 0.39 0.00 0.00 0.00 0.00 46.02 46.93 1x1f n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x1f h GLU 102 N 0.00 0.02 0.10 1.61 3.07 -0.52 0.56 114.58 119.42 1x1f h GLU 102 Ca 0.00 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1x1f h GLU 102 Cb 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1x1f h GLU 102 CO 0.00 0.02 -0.05 0.93 -1.40 0.00 0.00 179.01 178.51 1x1f h GLU 103 N 0.02 -0.13 0.18 2.33 5.08 0.56 -1.78 114.58 120.85 1x1f h GLU 103 Ca 0.67 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 59.05 1x1f h GLU 103 Cb 2.62 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 31.86 1x1f h GLU 103 CO -0.04 -0.09 -0.45 -1.49 -1.00 0.00 0.00 179.01 175.94 1x1f h TRP 104 N -0.20 -1.27 -1.34 4.33 4.06 0.83 0.17 115.95 122.54 1x1f h TRP 104 Ca -0.01 0.03 0.44 0.00 2.06 0.00 0.00 58.89 61.40 1x1f h TRP 104 Cb 0.10 0.53 -0.13 0.00 -1.00 0.00 0.00 29.16 28.67 1x1f h TRP 104 CO 0.12 -0.56 0.87 -0.09 -3.56 0.00 0.00 178.44 175.22 1x1f h ARG 105 N -0.73 0.08 0.10 0.49 2.43 -0.06 0.39 114.38 117.09 1x1f h ARG 105 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1x1f h ARG 105 Cb 0.72 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1x1f h ARG 105 CO -0.22 0.05 -0.05 0.78 -1.51 0.00 0.00 179.97 179.02 1x1f h GLY 106 N 0.08 -0.15 -0.52 2.80 0.00 0.17 -0.35 103.07 105.11 1x1f h GLY 106 Ca 0.82 0.05 0.29 0.00 0.00 0.00 0.00 47.33 48.50 1x1f h GLY 106 CO -0.40 -0.05 0.44 0.74 0.00 0.00 0.00 176.54 177.26 1x1f h PHE 107 N -0.33 0.70 0.38 5.60 -1.00 0.35 0.14 116.94 122.78 1x1f h PHE 107 Ca -0.01 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1x1f h PHE 107 Cb 0.11 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.52 1x1f h PHE 107 CO 0.06 -0.20 -0.18 0.82 -1.61 0.00 0.00 178.31 177.19 1x1f h ILE 108 N 0.27 0.00 -0.94 -0.55 5.03 -0.37 -0.46 117.51 120.48 1x1f h ILE 108 Ca 0.67 -0.23 0.27 0.00 -0.12 0.00 0.00 64.86 65.46 1x1f h ILE 108 Cb 1.48 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.23 1x1f h ILE 108 CO -0.64 0.00 1.10 -0.07 -0.68 0.00 0.00 178.15 177.87 1x1f h LEU 109 N -0.74 0.00 0.01 1.44 3.38 0.13 0.91 115.31 120.44 1x1f h LEU 109 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1x1f h LEU 109 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1x1f h LEU 109 CO 0.09 0.00 -0.00 0.74 0.09 0.00 0.00 178.44 179.35 1x1f h THR 110 N 0.00 0.00 0.00 0.22 2.02 -0.50 0.52 112.91 115.16 1x1f h THR 110 Ca 0.45 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1x1f h THR 110 Cb 2.65 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1x1f h THR 110 CO -0.00 0.00 0.06 1.33 0.37 0.00 0.00 175.52 177.28 1x1f n VAL 111 N -4.03 0.93 -0.11 3.16 0.24 0.82 0.22 118.33 119.56 1x1f n VAL 111 Ca -0.00 0.75 -0.19 0.00 -2.04 0.00 0.00 64.34 62.86 1x1f n VAL 111 Cb 0.00 -1.75 -0.07 0.00 -1.47 0.00 0.00 33.84 30.55 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 -2.24 1.50 1.47 3.34 -2.24 0.28 -4.28 114.28 112.12 1x1f n THR 112 Ca -0.01 -0.07 0.02 0.00 -2.27 0.00 0.00 64.05 61.72 1x1f n THR 112 Cb 0.09 -2.12 0.07 0.00 -2.10 0.00 0.00 70.33 66.28 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 -4.41 1.37 -3.05 -0.78 1.02 0.18 -4.85 120.64 110.12 1x1f n GLU 113 Ca -0.31 -0.55 -0.13 0.00 -0.02 0.00 0.00 57.16 56.15 1x1f n GLU 113 Cb 0.64 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.89 1x1f n GLU 113 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1x1f n LEU 114 N -0.05 -0.25 0.00 -4.62 7.94 0.59 -4.75 117.00 115.87 1x1f n LEU 114 Ca 0.05 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1x1f n LEU 114 Cb 0.14 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 42.95 1x1f n LEU 114 CO 0.04 0.03 0.00 -1.20 -1.11 0.00 0.00 177.39 175.15 1x1f n SER 115 N -1.73 0.00 -3.99 1.96 7.64 -1.00 -5.01 113.62 111.49 1x1f n SER 115 Ca 0.04 -0.29 -0.28 0.00 1.01 0.00 0.00 58.87 59.35 1x1f n SER 115 Cb 0.47 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.50 1x1f n SER 115 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x1f s VAL 116 N -2.13 1.34 -0.10 0.44 1.01 -1.26 -4.08 120.40 115.61 1x1f s VAL 116 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1x1f s VAL 116 Cb 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1x1f s VAL 116 CO 0.00 0.42 1.25 -2.16 0.00 0.00 0.00 175.10 174.60 1x1f s PRO 117 N 1.38 4.29 -0.22 2.72 0.04 -1.26 -4.90 135.00 137.05 1x1f s PRO 117 Ca 0.01 1.69 0.05 0.00 0.04 0.00 0.00 61.00 62.79 1x1f s PRO 117 Cb -0.13 -3.66 0.44 0.00 0.04 0.00 0.00 34.50 31.19 1x1f s PRO 117 CO -0.07 -0.58 1.43 1.04 0.04 0.00 0.00 177.00 178.87 1x1f n GLN 118 N 5.86 2.44 -2.31 4.56 1.13 -1.26 -4.04 117.38 123.76 1x1f n GLN 118 Ca 0.12 -1.85 -0.19 0.00 -1.94 0.00 0.00 57.00 53.14 1x1f n GLN 118 Cb 0.45 -1.82 0.02 0.00 0.11 0.00 0.00 30.24 29.01 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x1f n ASN 119 N -0.12 4.04 -4.49 1.08 4.13 -1.26 -5.04 115.26 113.59 1x1f n ASN 119 Ca 0.28 -3.36 -0.29 0.00 1.68 0.00 0.00 54.58 52.89 1x1f n ASN 119 Cb 1.05 -0.40 -0.11 0.00 -1.54 0.00 0.00 39.78 38.77 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 -4.55 2.84 -1.19 2.41 -7.23 -1.26 -5.02 120.40 106.40 1x1f s VAL 120 Ca 0.44 -1.59 0.22 0.00 -1.81 0.00 0.00 61.98 59.24 1x1f s VAL 120 Cb 0.40 -2.33 -0.15 0.00 0.56 0.00 0.00 36.38 34.86 1x1f s VAL 120 CO -0.02 0.04 1.02 -0.24 -0.31 0.00 0.00 175.10 175.59 1x1f n SER 121 N 0.61 1.10 -4.11 4.85 2.88 -1.26 -4.99 113.62 112.71 1x1f n SER 121 Ca -0.14 -0.98 -0.35 0.00 -1.33 0.00 0.00 58.87 56.06 1x1f n SER 121 Cb 0.53 0.78 0.06 0.00 -0.75 0.00 0.00 64.21 64.84 1x1f n SER 121 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1x1f n LEU 122 N -1.23 -4.27 -4.59 2.46 7.94 -1.26 -4.90 117.00 111.15 1x1f n LEU 122 Ca 0.05 0.19 -0.28 0.00 -1.11 0.00 0.00 56.01 54.86 1x1f n LEU 122 Cb 0.35 -0.86 0.21 0.00 0.53 0.00 0.00 43.42 43.66 1x1f n LEU 122 CO 0.39 -5.10 0.58 -0.76 -1.11 0.00 0.00 177.39 171.39 1x1f s LEU 123 N 5.47 1.25 0.00 -1.96 2.01 -1.26 -4.79 118.68 119.39 1x1f s LEU 123 Ca 0.44 1.35 0.22 0.00 0.01 0.00 0.00 54.13 56.16 1x1f s LEU 123 Cb -0.16 -3.41 1.03 0.00 0.01 0.00 0.00 46.19 43.66 1x1f s LEU 123 CO 0.77 -3.65 1.72 -0.81 1.01 0.00 0.00 176.35 175.39 1x1f n PRO 124 N -4.53 0.15 -0.08 1.29 -0.04 -1.26 -2.13 135.00 128.40 1x1f n PRO 124 Ca 0.04 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1x1f n PRO 124 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 1x1f n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1f n GLY 125 N 0.70 -0.77 0.16 0.55 0.00 -1.26 -4.23 105.19 100.33 1x1f n GLY 125 Ca 0.08 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 1x1f n GLY 125 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x1f h GLN 126 N 0.01 0.49 -1.06 1.61 1.08 -1.88 -3.10 115.11 112.26 1x1f h GLN 126 Ca -0.49 -0.43 0.28 0.00 -1.45 0.00 0.00 58.65 56.56 1x1f h GLN 126 Cb 2.08 0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 29.53 1x1f h GLN 126 CO 0.02 1.07 0.71 0.28 -0.95 0.00 0.00 178.83 179.96 1x1f h VAL 127 N 0.06 0.50 -0.57 -0.54 2.07 -1.64 0.40 116.25 116.55 1x1f h VAL 127 Ca -0.05 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1x1f h VAL 127 Cb 1.20 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 1x1f h VAL 127 CO 0.11 0.05 0.04 0.40 0.02 0.00 0.00 177.57 178.18 1x1f h ILE 128 N 0.26 0.58 -0.46 4.57 2.04 -1.71 -1.25 117.51 121.54 1x1f h ILE 128 Ca 0.57 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.44 1x1f h ILE 128 Cb 1.71 0.41 -0.09 0.00 -0.74 0.00 0.00 36.82 38.11 1x1f h ILE 128 CO -0.19 0.03 -0.49 0.11 0.00 0.00 0.00 178.15 177.60 1x1f h LYS 129 N 0.16 -0.32 -0.99 2.37 1.79 -0.33 0.75 116.57 119.99 1x1f h LYS 129 Ca 0.29 0.02 0.33 0.00 -2.18 0.00 0.00 60.65 59.11 1x1f h LYS 129 Cb 0.45 0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.02 1x1f h LYS 129 CO -0.45 -0.21 0.53 -0.07 -1.08 0.00 0.00 179.45 178.17 1x1f h LEU 130 N -0.33 0.44 0.35 2.94 3.38 -1.28 1.89 115.31 122.70 1x1f h LEU 130 Ca 0.12 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1x1f h LEU 130 Cb 0.58 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1x1f h LEU 130 CO -0.62 -0.18 -0.17 0.45 0.09 0.00 0.00 178.44 178.01 1x1f h HIS 131 N 0.27 -0.44 0.18 1.13 3.86 0.66 -0.97 115.15 119.85 1x1f h HIS 131 Ca 0.73 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.93 1x1f h HIS 131 Cb 1.70 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 30.30 1x1f h HIS 131 CO -0.04 -0.11 -0.16 0.93 0.86 0.00 0.00 177.93 179.42 1x1f h GLU 132 N -0.83 -0.35 -0.96 2.45 5.08 0.31 -1.10 114.58 119.18 1x1f h GLU 132 Ca -0.05 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.53 1x1f h GLU 132 Cb 0.53 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.75 1x1f h GLU 132 CO 0.08 -0.23 0.55 0.28 -1.00 0.00 0.00 179.01 178.69 1x1f h VAL 133 N -0.36 0.66 0.51 3.13 2.07 0.27 0.42 116.25 122.95 1x1f h VAL 133 Ca -0.00 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1x1f h VAL 133 Cb 0.33 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1x1f h VAL 133 CO -0.02 0.12 -0.27 0.25 0.02 0.00 0.00 177.57 177.67 1x1f h LEU 134 N 0.67 -0.66 -1.96 2.57 5.85 -0.35 -0.90 115.31 120.54 1x1f h LEU 134 Ca 0.56 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.47 1x1f h LEU 134 Cb 0.91 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1x1f h LEU 134 CO -0.41 -0.44 0.50 -0.33 -0.34 0.00 0.00 178.44 177.42 1x1f h GLU 135 N -0.72 0.00 0.75 1.25 5.08 -0.40 0.47 114.58 121.01 1x1f h GLU 135 Ca -0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1x1f h GLU 135 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1x1f h GLU 135 CO 0.10 0.00 -0.36 0.00 -1.00 0.00 0.00 179.01 177.75 1x1f h ARG 136 N 0.00 -0.97 -0.52 2.33 2.47 0.52 -3.10 114.38 115.11 1x1f h ARG 136 Ca 0.26 0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.95 1x1f h ARG 136 Cb 1.26 0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 29.78 1x1f h ARG 136 CO -0.00 -0.64 -0.06 1.05 0.56 0.00 0.00 179.97 180.88 1x1f h GLU 137 N -1.24 0.92 -0.97 0.04 4.11 -0.02 -2.96 114.58 114.46 1x1f h GLU 137 Ca -0.10 -0.30 0.24 0.00 0.07 0.00 0.00 59.36 59.27 1x1f h GLU 137 Cb 0.78 -0.08 -0.18 0.00 0.50 0.00 0.00 28.75 29.77 1x1f h GLU 137 CO 0.17 0.95 -0.07 1.63 0.07 0.00 0.00 179.01 181.76 1x1f n LYS 138 N -4.17 -0.08 -0.06 1.06 5.02 0.15 0.15 118.16 120.23 1x1f n LYS 138 Ca 0.02 1.48 -0.08 0.00 -2.02 0.00 0.00 58.31 57.71 1x1f n LYS 138 Cb 0.36 -2.30 -0.01 0.00 -0.02 0.00 0.00 35.03 33.06 1x1f n LYS 138 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1x1f h LYS 139 N 0.00 -0.21 -0.96 1.97 1.79 -1.44 0.13 116.57 117.84 1x1f h LYS 139 Ca 0.55 0.01 0.32 0.00 -2.18 0.00 0.00 60.65 59.35 1x1f h LYS 139 Cb 1.04 0.05 -0.18 0.00 -1.58 0.00 0.00 32.23 31.56 1x1f h LYS 139 CO -0.94 -0.14 0.21 -2.13 -1.08 0.00 0.00 179.45 175.37 1x1f n ARG 140 N -5.37 -0.07 -0.29 3.15 0.63 0.40 0.17 116.66 115.27 1x1f n ARG 140 Ca -0.00 1.40 0.12 0.00 -0.92 0.00 0.00 57.85 58.44 1x1f n ARG 140 Cb 0.29 -2.33 0.27 0.00 0.45 0.00 0.00 32.46 31.14 1x1f n ARG 140 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x1f h ARG 141 N 0.00 0.16 0.00 -0.14 3.08 -0.76 -2.48 114.38 114.24 1x1f h ARG 141 Ca 0.67 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.71 1x1f h ARG 141 Cb 1.58 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.59 1x1f h ARG 141 CO -0.84 0.11 0.00 -0.89 -1.07 0.00 0.00 179.97 177.28 1x1f n ILE 142 N -5.27 0.00 -2.27 2.04 5.41 0.44 -2.34 119.36 117.37 1x1f n ILE 142 Ca 0.20 1.07 -0.42 0.00 1.00 0.00 0.00 62.75 64.60 1x1f n ILE 142 Cb 0.66 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 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 -1.24 3.50 -1.34 0.38 1.02 -0.94 -4.99 120.64 117.03 1x1f n GLU 143 Ca 0.00 -3.40 -0.34 0.00 -0.02 0.00 0.00 57.16 53.40 1x1f n GLU 143 Cb 0.00 -2.99 0.10 0.00 -0.02 0.00 0.00 31.44 28.53 1x1f n GLU 143 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1x1f s SER 144 N 1.30 4.04 0.00 1.62 0.01 -0.99 -4.97 113.70 114.72 1x1f s SER 144 Ca 0.41 2.34 0.00 0.00 1.31 0.00 0.00 55.95 60.01 1x1f s SER 144 Cb 0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1x1f s SER 144 CO -0.01 -2.37 0.00 0.61 0.41 0.00 0.00 173.24 171.88 1x1f n GLY 145 N 0.37 6.44 3.72 3.44 0.00 -1.26 -5.10 105.19 112.79 1x1f n GLY 145 Ca 0.13 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 1.46 4.47 -0.30 1.61 0.04 -1.26 -4.99 135.00 136.03 1x1f s PRO 146 Ca 0.00 1.73 -0.07 0.00 0.04 0.00 0.00 61.00 62.70 1x1f s PRO 146 Cb 0.00 -3.35 0.19 0.00 0.04 0.00 0.00 34.50 31.38 1x1f s PRO 146 CO 0.00 -0.19 0.92 -1.54 0.04 0.00 0.00 177.00 176.24 1x1f s SER 147 N 0.87 -0.75 -0.16 6.66 1.04 -1.26 -5.06 113.70 115.03 1x1f s SER 147 Ca 0.57 0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.99 1x1f s SER 147 Cb -0.29 1.49 -0.06 0.00 0.10 0.00 0.00 66.02 67.27 1x1f s SER 147 CO 0.30 -0.14 -0.20 -0.24 0.98 0.00 0.00 173.24 173.94 1x1f n SER 148 N 5.22 1.85 0.00 7.02 2.88 -1.26 -5.21 113.62 124.13 1x1f n SER 148 Ca 0.07 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1x1f n SER 148 Cb 0.56 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42