#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpr n SER 2 N 0.00 -5.82 -3.19 1.61 7.64 -1.26 -4.93 113.62 107.66 2rpr n SER 2 Ca 0.00 -0.17 -0.27 0.00 1.01 0.00 0.00 58.87 59.43 2rpr n SER 2 Cb 0.00 -4.73 -0.06 0.00 -1.01 0.00 0.00 64.21 58.42 2rpr n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2rpr n SER 3 N -2.09 4.20 0.00 6.43 2.88 -1.26 -4.92 113.62 118.86 2rpr n SER 3 Ca -0.16 -3.57 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 2rpr n SER 3 Cb 0.64 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2rpr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rpr n GLY 4 N 0.30 1.25 2.70 0.46 0.00 -1.26 -5.14 105.19 103.50 2rpr n GLY 4 Ca 0.31 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 2rpr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rpr s SER 5 N 0.00 1.32 -1.10 1.61 1.04 -1.26 -5.08 113.70 110.23 2rpr s SER 5 Ca 0.00 0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 2rpr s SER 5 Cb 0.00 -0.25 0.27 0.00 0.10 0.00 0.00 66.02 66.14 2rpr s SER 5 CO 0.00 -0.23 1.10 -0.55 0.98 0.00 0.00 173.24 174.54 2rpr s SER 6 N 2.10 7.28 0.00 7.02 0.15 -1.26 -4.35 113.70 124.64 2rpr s SER 6 Ca 0.05 -3.52 0.00 0.00 0.70 0.00 0.00 55.95 53.18 2rpr s SER 6 Cb -0.12 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2rpr s SER 6 CO -0.04 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2rpr n GLY 7 N 2.83 2.54 3.48 9.45 0.00 -1.26 -5.10 105.19 117.13 2rpr n GLY 7 Ca 0.24 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2rpr n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rpr s LEU 8 N 0.00 4.66 0.33 0.99 2.96 -1.26 -5.05 118.68 121.31 2rpr s LEU 8 Ca 0.00 -0.65 -0.23 0.00 -0.22 0.00 0.00 54.13 53.03 2rpr s LEU 8 Cb 0.00 -2.60 -0.10 0.00 0.50 0.00 0.00 46.19 43.99 2rpr s LEU 8 CO 0.00 -0.94 0.90 -0.13 -1.32 0.00 0.00 176.35 174.86 2rpr s ARG 9 N 2.96 4.43 0.00 1.98 0.52 -1.26 -4.88 118.95 122.70 2rpr s ARG 9 Ca 0.20 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 2rpr s ARG 9 Cb -0.16 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.63 2rpr s ARG 9 CO 0.15 0.23 0.00 -0.35 0.02 0.00 0.00 175.30 175.36 2rpr n PRO 10 N 0.31 -0.06 -3.61 3.54 -0.04 -1.22 -3.30 135.00 130.62 2rpr n PRO 10 Ca 0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 2rpr n PRO 10 Cb 0.51 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.91 2rpr n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2rpr s LEU 11 N 0.00 -0.44 0.07 1.53 2.96 -1.08 -4.45 118.68 117.27 2rpr s LEU 11 Ca 0.00 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 2rpr s LEU 11 Cb 0.00 1.93 -0.04 0.00 0.50 0.00 0.00 46.19 48.58 2rpr s LEU 11 CO 0.00 -0.25 0.15 -0.70 -1.32 0.00 0.00 176.35 174.23 2rpr s GLU 12 N -0.36 3.20 0.23 1.98 2.12 -1.24 -5.06 118.70 119.58 2rpr s GLU 12 Ca 0.00 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.80 2rpr s GLU 12 Cb -0.03 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2rpr s GLU 12 CO -0.02 0.59 0.16 -0.06 -0.54 0.00 0.00 175.26 175.39 2rpr s PHE 13 N -1.46 1.32 0.02 5.30 0.40 -1.26 -2.02 117.98 120.28 2rpr s PHE 13 Ca 0.33 -1.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.17 2rpr s PHE 13 Cb -0.13 -0.63 -0.00 0.00 0.51 0.00 0.00 43.02 42.77 2rpr s PHE 13 CO 0.25 -0.66 0.12 -0.51 0.70 0.00 0.00 175.22 175.13 2rpr s LEU 14 N -3.22 1.63 -0.17 -0.37 1.43 0.12 -4.74 118.68 113.35 2rpr s LEU 14 Ca 0.39 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2rpr s LEU 14 Cb 0.06 0.66 0.03 0.00 0.03 0.00 0.00 46.19 46.97 2rpr s LEU 14 CO 0.15 -0.42 -0.13 -0.13 0.23 0.00 0.00 176.35 176.05 2rpr s ARG 15 N -1.84 2.20 0.67 1.70 0.52 -1.26 -0.44 118.95 120.50 2rpr s ARG 15 Ca -0.11 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 2rpr s ARG 15 Cb -0.05 -2.26 0.11 0.00 0.52 0.00 0.00 34.95 33.26 2rpr s ARG 15 CO -0.01 -0.32 0.93 0.95 0.02 0.00 0.00 175.30 176.87 2rpr s THR 16 N 1.44 2.24 -0.01 0.02 -4.23 -0.21 -4.72 115.64 110.17 2rpr s THR 16 Ca 0.02 -0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 59.87 2rpr s THR 16 Cb -0.14 -2.59 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 2rpr s THR 16 CO -0.10 0.00 -0.02 -1.20 -0.54 0.00 0.00 174.62 172.76 2rpr n SER 17 N -2.68 0.17 -1.52 3.99 7.64 -1.26 -4.59 113.62 115.36 2rpr n SER 17 Ca 0.14 0.03 -0.06 0.00 1.01 0.00 0.00 58.87 59.98 2rpr n SER 17 Cb 0.60 -0.36 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 2rpr n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2rpr n LEU 18 N -2.67 5.10 0.00 -3.43 4.77 -1.26 -4.65 117.00 114.87 2rpr n LEU 18 Ca -0.01 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.48 2rpr n LEU 18 Cb 0.03 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 2rpr n LEU 18 CO 0.01 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2rpr n GLY 19 N 0.70 1.41 0.00 -0.72 0.00 -1.26 -5.19 105.19 100.13 2rpr n GLY 19 Ca 0.13 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2rpr n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rpr n GLY 20 N 0.00 3.26 3.67 -0.02 0.00 -1.26 -5.01 105.19 105.83 2rpr n GLY 20 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2rpr n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rpr s ARG 21 N 4.00 4.03 0.23 1.61 6.06 -1.26 -1.04 118.95 132.58 2rpr s ARG 21 Ca 0.00 -0.30 0.07 0.00 -2.50 0.00 0.00 55.73 53.00 2rpr s ARG 21 Cb 0.00 -3.28 -0.04 0.00 0.06 0.00 0.00 34.95 31.69 2rpr s ARG 21 CO 0.00 0.30 0.14 -0.06 -2.50 0.00 0.00 175.30 173.18 2rpr s PHE 22 N 0.31 3.02 -0.19 5.12 0.08 0.42 -4.27 117.98 122.47 2rpr s PHE 22 Ca 0.05 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2rpr s PHE 22 Cb -0.12 -1.38 0.04 0.00 -0.57 0.00 0.00 43.02 40.99 2rpr s PHE 22 CO -0.01 0.54 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.39 2rpr s LEU 23 N -3.63 2.18 -0.26 -0.37 2.96 -0.50 -0.71 118.68 118.35 2rpr s LEU 23 Ca 0.32 -0.86 -0.22 0.00 -0.22 0.00 0.00 54.13 53.15 2rpr s LEU 23 Cb -0.08 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 2rpr s LEU 23 CO 0.23 -0.15 0.71 -0.69 -1.32 0.00 0.00 176.35 175.13 2rpr s VAL 24 N 1.43 4.91 -0.24 1.68 1.01 -0.86 -1.54 120.40 126.81 2rpr s VAL 24 Ca -0.01 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.10 2rpr s VAL 24 Cb -0.16 -4.02 0.09 0.00 0.00 0.00 0.00 36.38 32.29 2rpr s VAL 24 CO -0.08 -0.05 0.56 -2.28 0.00 0.00 0.00 175.10 173.25 2rpr s HIS 25 N 2.67 -0.96 -1.24 5.22 5.04 -1.09 -3.67 115.29 121.25 2rpr s HIS 25 Ca 0.29 1.86 -0.07 0.00 -1.54 0.00 0.00 55.06 55.59 2rpr s HIS 25 Cb -0.15 0.52 0.01 0.00 0.04 0.00 0.00 32.58 33.00 2rpr s HIS 25 CO 0.09 -0.50 1.08 0.39 -2.34 0.00 0.00 174.74 173.46 2rpr n GLU 26 N 4.73 -7.26 -2.72 2.88 -0.58 -1.26 -1.84 120.64 114.59 2rpr n GLU 26 Ca -0.17 0.77 -0.21 0.00 -0.42 0.00 0.00 57.16 57.13 2rpr n GLU 26 Cb 0.54 -5.63 0.01 0.00 -0.57 0.00 0.00 31.44 25.79 2rpr n GLU 26 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2rpr n SER 27 N -2.71 -5.67 -2.80 1.62 7.64 -1.26 -4.84 113.62 105.59 2rpr n SER 27 Ca -0.02 -0.13 -0.14 0.00 1.01 0.00 0.00 58.87 59.59 2rpr n SER 27 Cb 0.57 -4.67 -0.04 0.00 -1.01 0.00 0.00 64.21 59.06 2rpr n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2rpr n PHE 28 N -4.15 0.03 -3.80 1.43 3.72 -0.77 -3.76 117.46 110.17 2rpr n PHE 28 Ca -0.17 -1.52 -0.14 0.00 -0.05 0.00 0.00 57.45 55.58 2rpr n PHE 28 Cb 0.64 0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 39.04 2rpr n PHE 28 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2rpr s LEU 29 N 0.00 1.30 0.23 4.37 1.43 -1.26 -2.68 118.68 122.07 2rpr s LEU 29 Ca 0.13 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 2rpr s LEU 29 Cb 0.01 0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.21 2rpr s LEU 29 CO 0.09 -0.09 -0.08 -0.31 0.23 0.00 0.00 176.35 176.19 2rpr s TYR 30 N 0.75 1.70 -0.05 0.29 1.51 -0.59 -1.74 117.35 119.21 2rpr s TYR 30 Ca -0.06 -0.71 0.06 0.00 -1.01 0.00 0.00 57.07 55.35 2rpr s TYR 30 Cb -0.09 -0.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.85 2rpr s TYR 30 CO -0.02 0.22 -0.24 1.03 -1.11 0.00 0.00 175.55 175.42 2rpr s ARG 31 N -3.73 2.38 -0.19 -0.62 0.52 0.12 -1.41 118.95 116.03 2rpr s ARG 31 Ca 0.25 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 2rpr s ARG 31 Cb 0.02 -2.06 -0.07 0.00 0.52 0.00 0.00 34.95 33.36 2rpr s ARG 31 CO 0.08 0.40 2.17 1.17 0.02 0.00 0.00 175.30 179.13 2rpr n LYS 32 N 2.88 2.01 -0.08 3.54 4.81 -1.26 -0.28 118.16 129.78 2rpr n LYS 32 Ca -0.17 0.60 -0.14 0.00 -0.87 0.00 0.00 58.31 57.72 2rpr n LYS 32 Cb 0.52 -3.09 -0.11 0.00 0.02 0.00 0.00 35.03 32.37 2rpr n LYS 32 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2rpr h GLU 33 N 13.83 0.00 -3.14 1.64 4.22 -1.49 -3.48 114.58 126.16 2rpr h GLU 33 Ca -0.41 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 58.97 2rpr h GLU 33 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2rpr h GLU 33 CO 0.96 0.88 0.22 -1.59 -2.18 0.00 0.00 179.01 177.30 2rpr s LYS 34 N -2.20 2.22 -0.03 1.92 0.00 -1.25 -5.01 119.74 115.38 2rpr s LYS 34 Ca -0.20 -1.50 0.03 0.00 0.00 0.00 0.00 55.97 54.30 2rpr s LYS 34 Cb -0.00 0.61 0.00 0.00 0.00 0.00 0.00 37.83 38.44 2rpr s LYS 34 CO 0.59 -1.03 -0.11 0.00 0.00 0.00 0.00 175.35 174.80 2rpr s ALA 35 N -2.34 1.02 0.14 0.59 0.00 -1.26 -0.63 121.76 119.27 2rpr s ALA 35 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2rpr s ALA 35 Cb -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2rpr s ALA 35 CO 0.13 0.16 0.01 0.00 0.00 0.00 0.00 175.76 176.07 2rpr n ALA 36 N 3.30 0.13 -1.56 0.00 0.00 -0.71 -4.99 120.51 116.68 2rpr n ALA 36 Ca -0.19 -0.61 -0.18 0.00 0.00 0.00 0.00 53.44 52.46 2rpr n ALA 36 Cb 0.54 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 20.24 2rpr n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rpr n GLY 37 N 3.36 -0.10 2.80 0.00 0.00 -1.26 -2.15 105.19 107.85 2rpr n GLY 37 Ca -0.05 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 2rpr n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rpr n GLU 38 N 8.76 -5.03 -3.62 1.61 -0.58 -1.26 -5.03 120.64 115.50 2rpr n GLU 38 Ca 0.46 0.56 -0.11 0.00 -0.42 0.00 0.00 57.16 57.64 2rpr n GLU 38 Cb 0.44 -4.75 -0.05 0.00 -0.57 0.00 0.00 31.44 26.52 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2rpr s LYS 39 N -5.56 1.07 -0.07 3.49 1.02 -0.91 -4.69 119.74 114.09 2rpr s LYS 39 Ca 0.27 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 2rpr s LYS 39 Cb -0.12 0.47 0.03 0.00 -0.52 0.00 0.00 37.83 37.69 2rpr s LYS 39 CO 0.49 -0.42 0.00 0.08 -0.92 0.00 0.00 175.35 174.58 2rpr s VAL 40 N -3.59 0.35 0.31 3.17 1.01 -0.06 -1.74 120.40 119.85 2rpr s VAL 40 Ca 0.01 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 2rpr s VAL 40 Cb 0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.80 2rpr s VAL 40 CO -0.11 0.25 0.75 -0.31 0.00 0.00 0.00 175.10 175.68 2rpr s TYR 41 N 1.88 3.41 0.01 5.22 1.51 0.19 -0.58 117.35 128.99 2rpr s TYR 41 Ca 0.03 1.27 -0.05 0.00 -1.01 0.00 0.00 57.07 57.32 2rpr s TYR 41 Cb -0.12 -2.57 -0.01 0.00 -0.11 0.00 0.00 41.96 39.15 2rpr s TYR 41 CO -0.05 0.12 0.08 -1.58 -1.11 0.00 0.00 175.55 173.01 2rpr s TRP 42 N -1.92 0.12 -0.04 2.71 0.52 0.22 -1.25 118.94 119.30 2rpr s TRP 42 Ca 0.53 -0.27 0.01 0.00 0.02 0.00 0.00 56.10 56.39 2rpr s TRP 42 Cb -0.11 -0.10 0.02 0.00 -1.15 0.00 0.00 33.47 32.13 2rpr s TRP 42 CO 0.18 -0.25 -0.03 0.00 0.02 0.00 0.00 176.95 176.86 2rpr s MET 43 N -1.38 0.66 -0.51 4.98 0.23 0.62 -0.02 119.30 123.87 2rpr s MET 43 Ca -0.15 -0.07 -0.36 0.00 -1.03 0.00 0.00 55.69 54.08 2rpr s MET 43 Cb -0.08 -0.71 -0.15 0.00 -1.53 0.00 0.00 34.83 32.36 2rpr s MET 43 CO 0.01 -0.07 2.28 0.00 -2.03 0.00 0.00 175.02 175.20 2rpr h ARG 45 N 11.89 0.00 -1.58 0.00 0.11 -1.63 0.66 114.38 123.84 2rpr h ARG 45 Ca -0.18 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.59 2rpr h ARG 45 Cb 1.35 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.30 2rpr h ARG 45 CO 1.11 0.00 0.38 -0.25 0.10 0.00 0.00 179.97 181.31 2rpr n ASP 46 N -3.55 6.39 0.05 0.08 8.00 -1.26 -4.24 116.55 122.01 2rpr n ASP 46 Ca 0.32 -3.02 -0.19 0.00 0.71 0.00 0.00 54.79 52.61 2rpr n ASP 46 Cb 1.74 -1.07 -0.14 0.00 -0.02 0.00 0.00 41.12 41.62 2rpr n ASP 46 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 2rpr h GLN 47 N 1.52 0.28 0.00 -1.24 3.07 0.27 0.18 115.11 119.19 2rpr h GLN 47 Ca 0.27 -0.48 0.00 0.00 0.09 0.00 0.00 58.65 58.54 2rpr h GLN 47 Cb 0.91 0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.65 2rpr h GLN 47 CO 0.71 1.15 -1.18 0.00 0.09 0.00 0.00 178.83 179.60 2rpr n ALA 48 N -2.79 3.45 -0.06 0.06 0.00 -1.26 -2.92 120.51 116.99 2rpr n ALA 48 Ca -0.22 -0.44 -0.05 0.00 0.00 0.00 0.00 53.44 52.73 2rpr n ALA 48 Cb 1.06 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 2rpr n ALA 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2rpr n ARG 49 N -1.98 0.38 -1.09 0.00 3.00 -1.26 -4.53 116.66 111.18 2rpr n ARG 49 Ca 0.01 0.41 -0.17 0.00 -0.00 0.00 0.00 57.85 58.10 2rpr n ARG 49 Cb 0.45 -1.45 0.20 0.00 0.00 0.00 0.00 32.46 31.66 2rpr n ARG 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2rpr n LEU 50 N -4.14 5.96 -4.31 6.15 4.77 -1.06 -4.93 117.00 119.44 2rpr n LEU 50 Ca -0.07 -3.61 -0.33 0.00 -0.03 0.00 0.00 56.01 51.97 2rpr n LEU 50 Cb 0.26 -0.77 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 2rpr n LEU 50 CO 0.11 1.07 -0.35 0.61 -1.33 0.00 0.00 177.39 177.50 2rpr n GLY 51 N -1.03 -0.21 2.95 -0.72 0.00 -1.15 -4.86 105.19 100.18 2rpr n GLY 51 Ca 0.50 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 46.28 2rpr n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpr n ARG 53 N 1.54 0.09 -1.31 0.00 -4.01 -1.26 -3.74 116.66 107.98 2rpr n ARG 53 Ca 0.26 0.56 -0.51 0.00 -1.04 0.00 0.00 57.85 57.12 2rpr n ARG 53 Cb 0.36 -1.94 -0.07 0.00 -3.04 0.00 0.00 32.46 27.76 2rpr n ARG 53 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2rpr n SER 54 N -2.00 0.68 -4.76 2.89 2.88 -1.26 -4.60 113.62 107.45 2rpr n SER 54 Ca -0.01 0.92 -0.31 0.00 -1.33 0.00 0.00 58.87 58.14 2rpr n SER 54 Cb 0.16 -0.69 -0.07 0.00 -0.75 0.00 0.00 64.21 62.86 2rpr n SER 54 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rpr s ARG 55 N 1.70 2.17 -0.04 -1.46 0.52 -1.26 -0.29 118.95 120.29 2rpr s ARG 55 Ca 0.79 -2.31 -0.30 0.00 -0.52 0.00 0.00 55.73 53.39 2rpr s ARG 55 Cb -1.12 -1.62 0.08 0.00 0.52 0.00 0.00 34.95 32.81 2rpr s ARG 55 CO 0.58 -0.34 0.73 0.00 0.02 0.00 0.00 175.30 176.29 2rpr s ALA 56 N -2.84 -1.78 -0.07 2.13 0.00 0.97 -2.80 121.76 117.37 2rpr s ALA 56 Ca 0.14 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.41 2rpr s ALA 56 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 2rpr s ALA 56 CO 0.07 -0.41 -0.22 0.42 0.00 0.00 0.00 175.76 175.62 2rpr s ILE 57 N -1.51 1.86 0.03 0.00 1.01 0.18 0.71 121.20 123.47 2rpr s ILE 57 Ca -0.08 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.70 2rpr s ILE 57 Cb -0.00 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 2rpr s ILE 57 CO 0.06 0.52 -0.18 0.42 0.00 0.00 0.00 174.94 175.76 2rpr s THR 58 N 0.06 2.80 -0.48 2.92 -4.23 0.26 0.18 115.64 117.15 2rpr s THR 58 Ca -0.08 -1.13 0.03 0.00 -1.18 0.00 0.00 61.69 59.33 2rpr s THR 58 Cb -0.14 -2.16 0.14 0.00 1.34 0.00 0.00 72.50 71.67 2rpr s THR 58 CO 0.05 0.37 0.26 -1.58 -0.54 0.00 0.00 174.62 173.19 2rpr s GLN 59 N -1.33 1.54 1.28 3.99 -0.44 -1.15 -0.88 119.66 122.66 2rpr s GLN 59 Ca 0.14 -2.27 0.00 0.00 -2.50 0.00 0.00 55.36 50.74 2rpr s GLN 59 Cb -0.10 -2.64 0.00 0.00 -1.64 0.00 0.00 33.01 28.62 2rpr s GLN 59 CO 0.05 -1.16 0.00 0.41 0.50 0.00 0.00 175.29 175.08 2rpr n GLY 60 N 3.30 2.21 0.00 2.59 0.00 -1.26 -2.99 105.19 109.03 2rpr n GLY 60 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2rpr n GLY 60 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2rpr n HIS 61 N 0.00 0.00 -3.60 1.61 -0.00 -1.26 -5.02 115.22 106.95 2rpr n HIS 61 Ca 0.00 -0.28 -0.24 0.00 0.46 0.00 0.00 57.72 57.65 2rpr n HIS 61 Cb 0.00 -0.03 0.02 0.00 -0.12 0.00 0.00 29.99 29.87 2rpr n HIS 61 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2rpr s ARG 62 N -0.57 2.23 0.00 1.57 1.70 -1.16 -2.62 118.95 120.11 2rpr s ARG 62 Ca 0.00 -1.94 -0.16 0.00 -0.47 0.00 0.00 55.73 53.15 2rpr s ARG 62 Cb 0.00 -2.27 0.03 0.00 -0.57 0.00 0.00 34.95 32.14 2rpr s ARG 62 CO 0.00 -0.78 0.35 -1.50 -1.08 0.00 0.00 175.30 172.30 2rpr s ILE 63 N -2.78 0.06 -0.01 4.99 2.07 -1.26 -2.95 121.20 121.32 2rpr s ILE 63 Ca 0.43 -0.48 -0.01 0.00 -1.41 0.00 0.00 60.65 59.18 2rpr s ILE 63 Cb -0.03 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.80 2rpr s ILE 63 CO 0.27 -0.27 0.03 -0.04 -1.91 0.00 0.00 174.94 173.03 2rpr s MET 64 N -1.75 0.04 -0.07 3.50 -1.94 0.46 -4.93 119.30 114.62 2rpr s MET 64 Ca -0.10 0.04 0.00 0.00 -1.71 0.00 0.00 55.69 53.92 2rpr s MET 64 Cb -0.03 0.02 -0.03 0.00 2.01 0.00 0.00 34.83 36.80 2rpr s MET 64 CO 0.02 -0.01 -0.06 0.08 -0.01 0.00 0.00 175.02 175.05 2rpr s VAL 65 N 0.00 3.82 -0.19 -6.03 1.01 -1.26 0.49 120.40 118.24 2rpr s VAL 65 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 2rpr s VAL 65 Cb -0.00 -2.57 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 2rpr s VAL 65 CO 0.00 0.59 -0.29 0.23 0.00 0.00 0.00 175.10 175.63 2rpr n MET 66 N 2.16 0.45 -4.25 2.72 2.81 -1.12 -4.97 117.12 114.93 2rpr n MET 66 Ca -0.18 0.19 -0.25 0.00 -1.81 0.00 0.00 57.70 55.66 2rpr n MET 66 Cb 0.53 -1.27 -0.08 0.00 -0.71 0.00 0.00 33.22 31.69 2rpr n MET 66 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2rpr s ARG 67 N -2.53 2.16 0.50 0.03 0.52 -1.26 -5.01 118.95 113.36 2rpr s ARG 67 Ca -0.28 -1.81 -0.05 0.00 -0.52 0.00 0.00 55.73 53.07 2rpr s ARG 67 Cb 0.09 -1.95 0.11 0.00 0.52 0.00 0.00 34.95 33.72 2rpr s ARG 67 CO 0.37 0.00 0.68 0.43 0.02 0.00 0.00 175.30 176.81 2rpr n SER 68 N -1.10 0.45 -4.32 0.23 7.64 -1.26 -4.59 113.62 110.67 2rpr n SER 68 Ca -0.03 -1.49 -0.32 0.00 1.01 0.00 0.00 58.87 58.05 2rpr n SER 68 Cb 0.64 -0.49 -0.16 0.00 -1.01 0.00 0.00 64.21 63.19 2rpr n SER 68 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2rpr s HIS 69 N -2.20 2.46 -2.00 1.43 0.09 -1.26 -4.28 115.29 109.53 2rpr s HIS 69 Ca 0.42 -0.54 0.13 0.00 -0.00 0.00 0.00 55.06 55.06 2rpr s HIS 69 Cb -0.02 -1.58 0.37 0.00 -0.00 0.00 0.00 32.58 31.35 2rpr s HIS 69 CO 0.28 -0.10 1.31 0.00 -0.00 0.00 0.00 174.74 176.24 2rpr s HIS 71 N -1.44 0.61 0.37 0.00 -3.43 -1.26 -5.10 115.29 105.04 2rpr s HIS 71 Ca 0.28 -0.87 -0.06 0.00 -0.80 0.00 0.00 55.06 53.61 2rpr s HIS 71 Cb 0.15 -0.40 -0.05 0.00 -1.43 0.00 0.00 32.58 30.85 2rpr s HIS 71 CO 0.19 -0.24 0.66 -0.65 -2.00 0.00 0.00 174.74 172.69 2rpr s GLN 72 N -3.24 3.63 0.32 -0.38 -0.21 -1.26 -5.06 119.66 113.46 2rpr s GLN 72 Ca 0.03 0.12 -0.29 0.00 0.02 0.00 0.00 55.36 55.24 2rpr s GLN 72 Cb 0.02 -2.53 -0.10 0.00 1.00 0.00 0.00 33.01 31.41 2rpr s GLN 72 CO -0.06 0.05 1.23 -1.25 -2.12 0.00 0.00 175.29 173.14 2rpr s PRO 73 N -3.97 4.44 -1.04 2.91 0.04 -1.26 -4.98 135.00 131.13 2rpr s PRO 73 Ca 0.46 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.48 2rpr s PRO 73 Cb -0.10 -3.09 0.26 0.00 0.04 0.00 0.00 34.50 31.60 2rpr s PRO 73 CO 0.34 -0.05 1.01 0.34 0.04 0.00 0.00 177.00 178.68 2rpr s ASP 74 N -0.66 6.97 0.43 6.66 -1.08 -1.25 -4.86 116.67 122.89 2rpr s ASP 74 Ca 0.48 -3.57 0.20 0.00 -0.52 0.00 0.00 52.55 49.14 2rpr s ASP 74 Cb -0.37 -2.14 1.09 0.00 -1.46 0.00 0.00 42.92 40.05 2rpr s ASP 74 CO 0.48 -0.28 1.56 -0.07 0.52 0.00 0.00 175.17 177.38 2rpr h LEU 75 N 6.59 0.00 0.00 -1.34 3.38 -1.94 0.64 115.31 122.64 2rpr h LEU 75 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2rpr h LEU 75 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2rpr h LEU 75 CO 0.96 0.00 -0.56 0.00 0.09 0.00 0.00 178.44 178.93 2rpr h ALA 76 N 1.38 0.05 -0.35 1.53 0.00 -1.99 -3.15 119.26 116.73 2rpr h ALA 76 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2rpr h ALA 76 Cb 0.51 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2rpr h ALA 76 CO 0.00 0.45 0.19 0.78 0.00 0.00 0.00 179.25 180.67 2rpr h GLY 77 N -1.00 0.51 0.51 0.00 0.00 -1.80 -0.87 103.07 100.41 2rpr h GLY 77 Ca -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2rpr h GLY 77 CO -0.04 0.20 -0.02 -2.00 0.00 0.00 0.00 176.54 174.68 2rpr h LEU 78 N 0.48 0.05 -1.62 3.11 5.85 -1.09 -2.51 115.31 119.59 2rpr h LEU 78 Ca 0.13 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2rpr h LEU 78 Cb 0.02 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2rpr h LEU 78 CO -0.02 0.56 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.30 2rpr h GLU 79 N -0.47 0.22 0.31 1.25 4.39 -1.46 -2.41 114.58 116.42 2rpr h GLU 79 Ca 0.00 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2rpr h GLU 79 Cb 0.55 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2rpr h GLU 79 CO 0.01 0.26 -0.15 0.00 -1.16 0.00 0.00 179.01 177.96 2rpr h ALA 80 N 1.77 -0.42 -0.53 3.43 0.00 -1.12 -3.04 119.26 119.35 2rpr h ALA 80 Ca 0.05 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.89 2rpr h ALA 80 Cb 0.18 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2rpr h ALA 80 CO 0.01 -0.57 0.36 -0.07 0.00 0.00 0.00 179.25 178.98 2rpr h LEU 81 N -0.75 0.24 -1.40 0.00 3.38 -1.28 -0.32 115.31 115.17 2rpr h LEU 81 Ca -0.04 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2rpr h LEU 81 Cb 0.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2rpr h LEU 81 CO 0.07 0.14 0.41 0.03 0.09 0.00 0.00 178.44 179.18 2rpr h ARG 82 N 0.27 0.80 -0.67 1.13 3.08 -1.32 -1.76 114.38 115.91 2rpr h ARG 82 Ca 0.25 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.32 2rpr h ARG 82 Cb 0.63 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 2rpr h ARG 82 CO -0.05 0.53 0.44 -0.56 -1.07 0.00 0.00 179.97 179.26 2rpr h GLN 83 N 0.83 0.65 0.00 0.04 -0.00 -0.98 0.26 115.11 115.90 2rpr h GLN 83 Ca 0.22 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.83 2rpr h GLN 83 Cb -0.10 -0.15 0.00 0.00 -0.00 0.00 0.00 27.48 27.24 2rpr h GLN 83 CO -0.05 0.43 0.00 0.54 -0.00 0.00 0.00 178.83 179.75 2rpr n ARG 84 N -4.48 0.10 -0.11 0.06 1.74 -0.66 -3.48 116.66 109.83 2rpr n ARG 84 Ca 0.10 0.35 -0.21 0.00 -0.77 0.00 0.00 57.85 57.31 2rpr n ARG 84 Cb 0.24 -1.70 -0.07 0.00 -1.02 0.00 0.00 32.46 29.91 2rpr n ARG 84 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2rpr n GLU 85 N -1.90 0.50 -1.49 5.56 4.07 0.65 -5.00 120.64 123.04 2rpr n GLU 85 Ca 0.03 0.22 -0.41 0.00 -0.06 0.00 0.00 57.16 56.93 2rpr n GLU 85 Cb 0.20 -1.35 0.01 0.00 -0.06 0.00 0.00 31.44 30.23 2rpr n GLU 85 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2rpr n ARG 86 N -4.16 0.73 0.00 5.31 5.12 0.27 -5.08 116.66 118.85 2rpr n ARG 86 Ca -0.39 0.27 0.03 0.00 -1.93 0.00 0.00 57.85 55.83 2rpr n ARG 86 Cb 0.74 -1.64 0.17 0.00 -1.16 0.00 0.00 32.46 30.56 2rpr n ARG 86 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17