#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 5.40 -4.44 1.61 3.41 -1.26 -4.88 113.62 113.47 2rpr n SER 2 Ca 0.00 -3.04 -0.33 0.00 -0.26 0.00 0.00 58.87 55.24 2rpr n SER 2 Cb 0.00 -0.91 -0.13 0.00 -0.26 0.00 0.00 64.21 62.91 2rpr n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rpr s SER 3 N -0.11 4.23 0.00 4.04 1.04 -1.26 -5.00 113.70 116.64 2rpr s SER 3 Ca 0.33 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2rpr s SER 3 Cb 0.27 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.92 2rpr s SER 3 CO 0.02 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.07 2rpr n GLY 4 N 3.18 -0.11 2.26 7.32 0.00 -1.26 -5.02 105.19 111.56 2rpr n GLY 4 Ca -0.18 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 2rpr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rpr n SER 5 N 0.00 -3.96 -4.52 1.61 2.88 -1.26 -4.93 113.62 103.45 2rpr n SER 5 Ca 0.00 0.10 -0.44 0.00 -1.33 0.00 0.00 58.87 57.21 2rpr n SER 5 Cb 0.00 -2.91 -0.00 0.00 -0.75 0.00 0.00 64.21 60.55 2rpr n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2rpr s SER 6 N -2.64 6.97 0.30 -3.46 0.15 -1.26 -4.82 113.70 108.95 2rpr s SER 6 Ca 0.00 -2.77 0.00 0.00 0.70 0.00 0.00 55.95 53.88 2rpr s SER 6 Cb 0.00 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2rpr s SER 6 CO 0.00 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.12 2rpr n GLY 7 N 4.66 1.26 3.77 9.45 0.00 -1.26 -4.94 105.19 118.13 2rpr n GLY 7 Ca 0.42 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2rpr n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rpr s LEU 8 N 0.00 4.36 0.40 0.99 2.34 -1.26 -4.96 118.68 120.55 2rpr s LEU 8 Ca 0.00 2.91 -0.25 0.00 0.06 0.00 0.00 54.13 56.85 2rpr s LEU 8 Cb 0.00 -3.66 -0.08 0.00 -0.56 0.00 0.00 46.19 41.89 2rpr s LEU 8 CO 0.00 -0.76 1.18 -0.13 -1.06 0.00 0.00 176.35 175.58 2rpr s ARG 9 N -1.83 4.04 0.00 1.48 1.81 -1.26 -4.74 118.95 118.45 2rpr s ARG 9 Ca 0.52 1.86 0.00 0.00 -1.72 0.00 0.00 55.73 56.40 2rpr s ARG 9 Cb -0.44 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.38 2rpr s ARG 9 CO 0.58 -0.34 0.00 -0.35 -0.68 0.00 0.00 175.30 174.51 2rpr n PRO 10 N 0.06 0.23 -3.60 3.54 -0.04 -1.26 -4.00 135.00 129.94 2rpr n PRO 10 Ca 0.04 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 2rpr n PRO 10 Cb 0.46 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.70 0.10 1.53 2.96 -1.13 -4.63 118.68 116.81 2rpr s LEU 11 Ca 0.00 1.20 0.04 0.00 -0.22 0.00 0.00 54.13 55.15 2rpr s LEU 11 Cb 0.00 2.47 -0.04 0.00 0.50 0.00 0.00 46.19 49.12 2rpr s LEU 11 CO 0.00 -0.37 0.07 -0.70 -1.32 0.00 0.00 176.35 174.03 2rpr s GLU 12 N -0.14 2.79 0.21 1.98 2.56 -1.24 -5.07 118.70 119.79 2rpr s GLU 12 Ca -0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 54.97 54.16 2rpr s GLU 12 Cb -0.03 -2.66 -0.04 0.00 2.00 0.00 0.00 34.13 33.40 2rpr s GLU 12 CO 0.04 0.54 0.14 -0.06 -0.56 0.00 0.00 175.26 175.36 2rpr s PHE 13 N -1.45 1.20 0.10 5.30 0.40 -1.26 -1.64 117.98 120.63 2rpr s PHE 13 Ca 0.29 -1.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.17 2rpr s PHE 13 Cb -0.12 -0.57 -0.02 0.00 0.51 0.00 0.00 43.02 42.82 2rpr s PHE 13 CO 0.21 -0.65 0.13 -0.51 0.70 0.00 0.00 175.22 175.10 2rpr s LEU 14 N -3.17 1.67 -0.03 -0.37 1.43 -0.88 -4.81 118.68 112.51 2rpr s LEU 14 Ca 0.39 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 2rpr s LEU 14 Cb 0.07 0.70 -0.00 0.00 0.03 0.00 0.00 46.19 46.99 2rpr s LEU 14 CO 0.13 -0.73 -0.16 -0.13 0.23 0.00 0.00 176.35 175.69 2rpr s ARG 15 N -3.94 1.55 -0.06 1.70 0.52 -1.26 -0.41 118.95 117.05 2rpr s ARG 15 Ca 0.12 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2rpr s ARG 15 Cb 0.06 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 34.10 2rpr s ARG 15 CO -0.06 0.25 0.14 0.95 0.02 0.00 0.00 175.30 176.60 2rpr s THR 16 N -0.04 5.31 0.27 0.02 -4.23 -0.42 -4.94 115.64 111.61 2rpr s THR 16 Ca -0.01 -0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.40 2rpr s THR 16 Cb -0.10 -3.38 0.44 0.00 1.34 0.00 0.00 72.50 70.79 2rpr s THR 16 CO 0.01 0.48 1.49 -1.20 -0.54 0.00 0.00 174.62 174.86 2rpr n SER 17 N 1.52 -0.32 -4.62 3.99 7.64 -1.26 -4.30 113.62 116.27 2rpr n SER 17 Ca -0.16 1.64 -0.29 0.00 1.01 0.00 0.00 58.87 61.07 2rpr n SER 17 Cb 0.54 -0.51 0.13 0.00 -1.01 0.00 0.00 64.21 63.36 2rpr n SER 17 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2rpr s LEU 18 N -11.08 2.55 -1.03 -3.43 1.43 -1.26 -4.88 118.68 100.98 2rpr s LEU 18 Ca -0.14 0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 53.31 2rpr s LEU 18 Cb 0.26 -2.93 -0.19 0.00 0.03 0.00 0.00 46.19 43.36 2rpr s LEU 18 CO 0.74 -2.23 2.00 0.61 0.23 0.00 0.00 176.35 177.70 2rpr n GLY 19 N -3.43 0.27 3.64 -3.19 0.00 -1.26 -4.77 105.19 96.45 2rpr n GLY 19 Ca 0.11 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 2rpr n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rpr s GLY 20 N 7.54 -0.28 0.12 -0.02 0.00 -1.26 -5.08 107.32 108.33 2rpr s GLY 20 Ca 0.75 2.57 0.07 0.00 0.00 0.00 0.00 44.72 48.11 2rpr s GLY 20 CO 0.18 2.03 -0.05 -1.60 0.00 0.00 0.00 173.10 173.66 2rpr s ARG 21 N 0.65 2.30 0.35 2.90 3.52 -1.26 -1.30 118.95 126.11 2rpr s ARG 21 Ca -0.02 -1.00 0.09 0.00 -0.13 0.00 0.00 55.73 54.67 2rpr s ARG 21 Cb -0.05 -2.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 2rpr s ARG 21 CO -0.08 0.50 0.02 -0.06 -0.81 0.00 0.00 175.30 174.87 2rpr s PHE 22 N -1.38 2.55 -0.12 5.12 0.08 0.45 -4.23 117.98 120.45 2rpr s PHE 22 Ca 0.24 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 2rpr s PHE 22 Cb -0.11 -1.52 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 2rpr s PHE 22 CO 0.16 0.46 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.54 2rpr s LEU 23 N -3.73 1.12 -0.40 -0.37 2.96 -0.55 -2.08 118.68 115.63 2rpr s LEU 23 Ca 0.35 -0.39 -0.19 0.00 -0.22 0.00 0.00 54.13 53.68 2rpr s LEU 23 Cb 0.00 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.99 2rpr s LEU 23 CO 0.19 -0.18 0.55 -0.69 -1.32 0.00 0.00 176.35 174.91 2rpr s VAL 24 N 1.78 4.95 -0.12 1.68 1.01 -0.65 -1.01 120.40 128.04 2rpr s VAL 24 Ca 0.03 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 2rpr s VAL 24 Cb -0.14 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.20 2rpr s VAL 24 CO -0.07 -0.43 0.29 -2.28 0.00 0.00 0.00 175.10 172.61 2rpr s HIS 25 N 2.52 -0.38 -1.54 5.22 5.04 -0.94 -3.65 115.29 121.55 2rpr s HIS 25 Ca 0.19 0.89 -0.05 0.00 -1.54 0.00 0.00 55.06 54.55 2rpr s HIS 25 Cb -0.15 0.11 0.01 0.00 0.04 0.00 0.00 32.58 32.59 2rpr s HIS 25 CO 0.16 -0.24 0.66 0.39 -2.34 0.00 0.00 174.74 173.37 2rpr n GLU 26 N 3.90 -5.14 -2.28 2.88 1.02 -1.26 -1.23 120.64 118.53 2rpr n GLU 26 Ca -0.22 0.90 -0.17 0.00 -0.02 0.00 0.00 57.16 57.65 2rpr n GLU 26 Cb 0.55 -5.78 -0.01 0.00 -0.02 0.00 0.00 31.44 26.18 2rpr n GLU 26 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2rpr n SER 27 N -2.57 -5.11 -3.52 1.62 7.64 -1.26 -4.85 113.62 105.57 2rpr n SER 27 Ca -0.10 0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.58 2rpr n SER 27 Cb 0.61 -4.19 -0.06 0.00 -1.01 0.00 0.00 64.21 59.56 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 -3.91 0.11 -4.28 1.43 3.72 -0.37 -4.18 117.46 109.98 2rpr n PHE 28 Ca -0.20 -2.25 -0.20 0.00 -0.05 0.00 0.00 57.45 54.75 2rpr n PHE 28 Cb 0.65 -0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.03 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 1.60 0.23 4.37 1.43 -1.25 -2.20 118.68 122.86 2rpr s LEU 29 Ca 0.18 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 2rpr s LEU 29 Cb 0.01 -0.49 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 2rpr s LEU 29 CO 0.13 0.01 -0.12 -0.31 0.23 0.00 0.00 176.35 176.29 2rpr s TYR 30 N 0.51 1.84 -0.15 0.29 1.51 -0.18 -0.36 117.35 120.80 2rpr s TYR 30 Ca -0.07 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 2rpr s TYR 30 Cb -0.11 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.82 2rpr s TYR 30 CO 0.01 0.37 -0.14 1.03 -1.11 0.00 0.00 175.55 175.70 2rpr s ARG 31 N -3.66 3.26 -0.25 -0.62 0.52 0.11 -1.48 118.95 116.82 2rpr s ARG 31 Ca 0.25 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 2rpr s ARG 31 Cb 0.00 -2.64 -0.07 0.00 0.52 0.00 0.00 34.95 32.76 2rpr s ARG 31 CO 0.09 0.06 2.22 1.17 0.02 0.00 0.00 175.30 178.85 2rpr n LYS 32 N 3.96 1.72 -0.06 3.54 4.81 -1.26 -2.42 118.16 128.45 2rpr n LYS 32 Ca -0.19 0.47 -0.04 0.00 -0.87 0.00 0.00 58.31 57.68 2rpr n LYS 32 Cb 0.52 -3.03 -0.03 0.00 0.02 0.00 0.00 35.03 32.52 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 14.35 0.00 0.00 1.64 4.81 -0.90 -3.49 114.58 130.99 2rpr h GLU 33 Ca -0.37 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.68 2rpr h GLU 33 Cb 1.26 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 2rpr h GLU 33 CO 0.98 0.19 -0.07 0.36 -0.73 0.00 0.00 179.01 179.73 2rpr n LYS 34 N -4.71 0.52 -3.60 1.92 2.85 -1.19 -5.01 118.16 108.94 2rpr n LYS 34 Ca -0.04 -1.89 -0.13 0.00 -1.05 0.00 0.00 58.31 55.19 2rpr n LYS 34 Cb 0.15 1.87 -0.12 0.00 -0.65 0.00 0.00 35.03 36.28 2rpr n LYS 34 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2rpr s ALA 35 N -2.33 -0.62 -1.18 0.58 0.00 -1.26 -1.18 121.76 115.76 2rpr s ALA 35 Ca 0.19 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 2rpr s ALA 35 Cb -0.01 -1.17 0.20 0.00 0.00 0.00 0.00 23.12 22.14 2rpr s ALA 35 CO 0.14 -0.82 1.35 0.00 0.00 0.00 0.00 175.76 176.43 2rpr s ALA 36 N 2.44 4.19 0.00 0.00 0.00 0.23 -4.85 121.76 123.77 2rpr s ALA 36 Ca 0.03 -3.49 0.00 0.00 0.00 0.00 0.00 51.96 48.51 2rpr s ALA 36 Cb -0.13 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.01 2rpr s ALA 36 CO -0.10 -2.63 0.00 0.41 0.00 0.00 0.00 175.76 173.44 2rpr n GLY 37 N 3.75 1.25 0.00 0.00 0.00 -1.26 -1.88 105.19 107.05 2rpr n GLY 37 Ca 0.33 0.34 0.02 0.00 0.00 0.00 0.00 46.02 46.72 2rpr n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rpr n GLU 38 N 0.00 3.56 -3.59 1.61 2.13 -1.26 -5.02 120.64 118.06 2rpr n GLU 38 Ca 0.00 -0.01 -0.32 0.00 0.66 0.00 0.00 57.16 57.49 2rpr n GLU 38 Cb 0.00 -0.85 -0.05 0.00 0.27 0.00 0.00 31.44 30.81 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2rpr s LYS 39 N -1.73 3.68 -0.10 5.31 1.02 -0.79 -4.57 119.74 122.56 2rpr s LYS 39 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.02 2rpr s LYS 39 Cb 0.03 -2.80 0.03 0.00 -0.52 0.00 0.00 37.83 34.57 2rpr s LYS 39 CO 0.17 0.43 -0.03 0.08 -0.92 0.00 0.00 175.35 175.08 2rpr s VAL 40 N -1.69 0.70 0.00 3.17 1.01 -0.90 0.74 120.40 123.44 2rpr s VAL 40 Ca 0.42 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 2rpr s VAL 40 Cb -0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2rpr s VAL 40 CO 0.23 0.26 0.65 -0.31 0.00 0.00 0.00 175.10 175.94 2rpr s TYR 41 N 1.83 3.68 0.34 5.22 1.51 -0.32 -1.04 117.35 128.57 2rpr s TYR 41 Ca 0.04 1.28 0.06 0.00 -1.01 0.00 0.00 57.07 57.44 2rpr s TYR 41 Cb -0.13 -2.69 -0.07 0.00 -0.11 0.00 0.00 41.96 38.97 2rpr s TYR 41 CO -0.07 0.30 -0.00 -1.58 -1.11 0.00 0.00 175.55 173.09 2rpr s TRP 42 N -0.03 2.17 -0.18 2.71 0.52 0.16 -0.18 118.94 124.11 2rpr s TRP 42 Ca 0.34 -0.76 -0.12 0.00 0.02 0.00 0.00 56.10 55.57 2rpr s TRP 42 Cb -0.19 -1.40 0.06 0.00 -1.15 0.00 0.00 33.47 30.79 2rpr s TRP 42 CO 0.19 0.26 0.46 0.00 0.02 0.00 0.00 176.95 177.88 2rpr s MET 43 N -3.77 0.48 -0.46 4.98 0.23 -1.01 -1.89 119.30 117.86 2rpr s MET 43 Ca 0.34 0.78 -0.42 0.00 -1.03 0.00 0.00 55.69 55.36 2rpr s MET 43 Cb 0.07 0.09 -0.17 0.00 -1.53 0.00 0.00 34.83 33.30 2rpr s MET 43 CO 0.15 -0.12 2.10 0.00 -2.03 0.00 0.00 175.02 175.12 2rpr h ARG 45 N 9.48 0.00 -0.08 0.00 0.11 -0.97 0.48 114.38 123.40 2rpr h ARG 45 Ca -0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.90 2rpr h ARG 45 Cb 1.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.47 2rpr h ARG 45 CO 1.06 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.88 2rpr n ASP 46 N -2.75 0.08 0.00 0.08 9.92 -1.26 -3.66 116.55 118.95 2rpr n ASP 46 Ca -0.02 -1.92 0.06 0.00 -0.53 0.00 0.00 54.79 52.39 2rpr n ASP 46 Cb 0.41 -0.04 0.29 0.00 -0.64 0.00 0.00 41.12 41.15 2rpr n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rpr n GLN 47 N -0.46 0.07 -0.09 -1.24 -0.00 0.17 0.10 117.38 115.93 2rpr n GLN 47 Ca 0.00 0.24 -0.22 0.00 -0.00 0.00 0.00 57.00 57.01 2rpr n GLN 47 Cb 0.02 -1.50 -0.12 0.00 -0.00 0.00 0.00 30.24 28.64 2rpr n GLN 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2rpr n ALA 48 N -1.42 1.13 -0.10 2.61 0.00 -1.24 -3.26 120.51 118.23 2rpr n ALA 48 Ca 0.04 -0.87 -0.24 0.00 0.00 0.00 0.00 53.44 52.37 2rpr n ALA 48 Cb 0.13 -0.27 -0.11 0.00 0.00 0.00 0.00 19.45 19.20 2rpr n ALA 48 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2rpr n ARG 49 N -3.74 0.61 0.03 0.00 1.85 -1.12 -4.37 116.66 109.92 2rpr n ARG 49 Ca -0.42 0.42 0.12 0.00 -1.00 0.00 0.00 57.85 56.97 2rpr n ARG 49 Cb 0.93 -1.66 0.22 0.00 -1.05 0.00 0.00 32.46 30.91 2rpr n ARG 49 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2rpr n LEU 50 N -4.16 0.57 0.00 2.89 4.77 0.29 -4.93 117.00 116.43 2rpr n LEU 50 Ca -0.39 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2rpr n LEU 50 Cb 0.81 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2rpr n LEU 50 CO 0.19 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2rpr n GLY 51 N 1.42 0.58 3.48 -0.72 0.00 0.67 -4.90 105.19 105.73 2rpr n GLY 51 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 0.54 1.05 -1.95 0.00 5.12 -1.26 -3.65 116.66 116.50 2rpr n ARG 53 Ca 0.11 -2.11 -0.43 0.00 -1.93 0.00 0.00 57.85 53.49 2rpr n ARG 53 Cb 0.38 -1.22 -0.03 0.00 -1.16 0.00 0.00 32.46 30.44 2rpr n ARG 53 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2rpr s SER 54 N -2.29 5.98 0.02 0.55 0.15 -1.26 -4.83 113.70 112.02 2rpr s SER 54 Ca 0.22 1.54 0.03 0.00 0.70 0.00 0.00 55.95 58.44 2rpr s SER 54 Cb 0.19 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2rpr s SER 54 CO 0.02 -1.60 -0.04 -0.13 1.20 0.00 0.00 173.24 172.69 2rpr s ARG 55 N 5.45 2.59 0.06 5.44 0.52 -1.26 -0.68 118.95 131.08 2rpr s ARG 55 Ca 0.81 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 2rpr s ARG 55 Cb -0.26 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 2rpr s ARG 55 CO 0.33 0.60 -0.06 0.00 0.02 0.00 0.00 175.30 176.19 2rpr s ALA 56 N -1.06 0.61 -0.10 2.13 0.00 -0.79 -0.72 121.76 121.82 2rpr s ALA 56 Ca 0.19 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 2rpr s ALA 56 Cb -0.11 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2rpr s ALA 56 CO 0.10 -0.17 -0.08 0.42 0.00 0.00 0.00 175.76 176.02 2rpr s ILE 57 N -2.56 3.53 -0.12 0.00 1.01 0.17 0.39 121.20 123.63 2rpr s ILE 57 Ca -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2rpr s ILE 57 Cb -0.02 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 2rpr s ILE 57 CO -0.03 0.55 -0.19 0.42 0.00 0.00 0.00 174.94 175.69 2rpr s THR 58 N -0.24 2.42 -0.36 2.92 -4.23 -0.21 0.19 115.64 116.14 2rpr s THR 58 Ca 0.03 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 2rpr s THR 58 Cb -0.13 -1.97 0.12 0.00 1.34 0.00 0.00 72.50 71.86 2rpr s THR 58 CO 0.03 0.54 0.16 -1.10 -0.54 0.00 0.00 174.62 173.71 2rpr s GLN 59 N 0.47 0.92 1.95 3.99 -0.21 -1.15 -2.11 119.66 123.51 2rpr s GLN 59 Ca -0.13 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 53.78 2rpr s GLN 59 Cb -0.17 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.78 2rpr s GLN 59 CO 0.06 -1.08 0.00 0.41 -2.12 0.00 0.00 175.29 172.56 2rpr n GLY 60 N 4.26 1.63 0.00 3.09 0.00 -1.26 -3.40 105.19 109.51 2rpr n GLY 60 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.39 1.61 -0.00 -1.26 -5.01 115.22 107.16 2rpr n HIS 61 Ca 0.00 -0.01 -0.21 0.00 0.46 0.00 0.00 57.72 57.96 2rpr n HIS 61 Cb 0.00 -0.00 0.04 0.00 -0.12 0.00 0.00 29.99 29.91 2rpr n HIS 61 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2rpr n ARG 62 N -0.01 0.66 -3.76 1.57 5.12 -1.22 -2.84 116.66 116.18 2rpr n ARG 62 Ca 0.00 -3.11 -0.10 0.00 -1.93 0.00 0.00 57.85 52.71 2rpr n ARG 62 Cb 0.09 0.02 -0.06 0.00 -1.16 0.00 0.00 32.46 31.35 2rpr n ARG 62 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2rpr s ILE 63 N -2.51 0.10 0.00 0.55 2.07 -1.26 -2.93 121.20 117.22 2rpr s ILE 63 Ca 0.46 -0.91 0.01 0.00 -1.41 0.00 0.00 60.65 58.80 2rpr s ILE 63 Cb -0.04 -1.31 -0.00 0.00 0.13 0.00 0.00 42.46 41.24 2rpr s ILE 63 CO 0.29 -0.46 -0.03 -0.04 -1.91 0.00 0.00 174.94 172.79 2rpr s MET 64 N -3.84 0.27 -0.20 3.50 -1.94 0.52 -4.92 119.30 112.67 2rpr s MET 64 Ca 0.05 -0.17 -0.08 0.00 -1.71 0.00 0.00 55.69 53.78 2rpr s MET 64 Cb 0.03 -0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.60 2rpr s MET 64 CO -0.10 0.06 0.09 0.08 -0.01 0.00 0.00 175.02 175.14 2rpr s VAL 65 N -0.20 4.94 -0.27 -6.03 1.01 -1.26 0.43 120.40 119.01 2rpr s VAL 65 Ca -0.00 0.03 0.16 0.00 0.00 0.00 0.00 61.98 62.16 2rpr s VAL 65 Cb -0.02 -3.25 -0.22 0.00 0.00 0.00 0.00 36.38 32.88 2rpr s VAL 65 CO -0.00 0.42 0.46 0.23 0.00 0.00 0.00 175.10 176.21 2rpr n MET 66 N 3.83 0.94 -3.61 2.72 2.81 0.10 -4.97 117.12 118.93 2rpr n MET 66 Ca -0.16 -0.10 -0.11 0.00 -1.81 0.00 0.00 57.70 55.53 2rpr n MET 66 Cb 0.52 -1.34 -0.04 0.00 -0.71 0.00 0.00 33.22 31.65 2rpr n MET 66 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2rpr s ARG 67 N -2.91 1.11 0.78 0.03 3.52 -1.21 -4.90 118.95 115.38 2rpr s ARG 67 Ca -0.02 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 54.86 2rpr s ARG 67 Cb 0.11 0.49 0.16 0.00 -1.56 0.00 0.00 34.95 34.14 2rpr s ARG 67 CO 0.67 -0.44 1.08 -1.54 -0.81 0.00 0.00 175.30 174.25 2rpr s SER 68 N -2.80 3.99 -0.08 -2.12 1.04 -1.26 -4.52 113.70 107.95 2rpr s SER 68 Ca 0.03 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.14 2rpr s SER 68 Cb 0.01 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 2rpr s SER 68 CO -0.12 -2.12 -0.18 -1.00 0.98 0.00 0.00 173.24 170.80 2rpr s HIS 69 N -3.31 2.64 -2.15 5.02 0.09 -1.26 -4.17 115.29 112.15 2rpr s HIS 69 Ca 0.69 -0.58 0.18 0.00 -0.00 0.00 0.00 55.06 55.36 2rpr s HIS 69 Cb -0.04 -1.70 0.81 0.00 -0.00 0.00 0.00 32.58 31.65 2rpr s HIS 69 CO 0.46 -0.13 1.56 0.00 -0.00 0.00 0.00 174.74 176.64 2rpr s HIS 71 N -1.86 1.45 0.05 0.00 -3.43 -1.26 -5.15 115.29 105.09 2rpr s HIS 71 Ca 0.29 -0.89 -0.00 0.00 -0.80 0.00 0.00 55.06 53.66 2rpr s HIS 71 Cb 0.15 -0.81 -0.04 0.00 -1.43 0.00 0.00 32.58 30.44 2rpr s HIS 71 CO 0.23 -0.02 0.19 -0.65 -2.00 0.00 0.00 174.74 172.48 2rpr s GLN 72 N -3.84 3.36 0.69 -0.38 1.11 -1.26 -5.10 119.66 114.25 2rpr s GLN 72 Ca 0.25 -0.45 -0.14 0.00 0.01 0.00 0.00 55.36 55.03 2rpr s GLN 72 Cb 0.05 -3.01 0.02 0.00 -1.01 0.00 0.00 33.01 29.06 2rpr s GLN 72 CO 0.06 0.62 1.11 -1.25 0.01 0.00 0.00 175.29 175.83 2rpr s PRO 73 N -2.37 2.64 -0.33 2.91 0.04 -1.26 -5.05 135.00 131.57 2rpr s PRO 73 Ca 0.33 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 2rpr s PRO 73 Cb -0.13 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.59 2rpr s PRO 73 CO 0.25 -1.37 0.16 -0.51 0.04 0.00 0.00 177.00 175.57 2rpr s ASP 74 N -2.82 3.49 0.32 6.66 1.01 -1.26 -4.97 116.67 119.10 2rpr s ASP 74 Ca 0.65 -1.81 0.19 0.00 0.71 0.00 0.00 52.55 52.29 2rpr s ASP 74 Cb -0.20 -0.56 1.01 0.00 1.01 0.00 0.00 42.92 44.18 2rpr s ASP 74 CO 0.46 -0.37 1.53 0.18 0.21 0.00 0.00 175.17 177.17 2rpr n LEU 75 N 4.58 0.48 -0.02 1.23 4.77 -1.26 -1.34 117.00 125.44 2rpr n LEU 75 Ca 0.02 0.69 -0.15 0.00 -0.03 0.00 0.00 56.01 56.54 2rpr n LEU 75 Cb 0.40 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 2rpr n LEU 75 CO 0.11 -0.85 0.40 0.00 -1.33 0.00 0.00 177.39 175.72 2rpr h ALA 76 N 1.71 0.09 0.04 -1.18 0.00 -1.99 -2.20 119.26 115.72 2rpr h ALA 76 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 2rpr h ALA 76 Cb 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2rpr h ALA 76 CO 0.00 0.17 -1.06 0.78 0.00 0.00 0.00 179.25 179.14 2rpr h GLY 77 N -0.27 0.10 0.98 0.00 0.00 -1.64 -3.07 103.07 99.16 2rpr h GLY 77 Ca -0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 2rpr h GLY 77 CO 0.07 0.22 -0.36 -2.00 0.00 0.00 0.00 176.54 174.47 2rpr h LEU 78 N 0.03 0.75 -1.07 3.11 5.85 -1.41 -3.12 115.31 119.45 2rpr h LEU 78 Ca -0.05 -0.51 -0.06 0.00 0.84 0.00 0.00 57.88 58.10 2rpr h LEU 78 Cb 1.80 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 2rpr h LEU 78 CO 0.15 1.12 0.01 -0.33 -0.34 0.00 0.00 178.44 179.04 2rpr h GLU 79 N 0.41 0.66 -0.82 1.25 4.39 -1.49 -2.62 114.58 116.37 2rpr h GLU 79 Ca 0.03 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.59 2rpr h GLU 79 Cb 0.95 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 2rpr h GLU 79 CO 0.08 0.68 0.54 0.00 -1.16 0.00 0.00 179.01 179.15 2rpr h ALA 80 N 1.38 1.46 0.00 3.43 0.00 -1.48 0.17 119.26 124.21 2rpr h ALA 80 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2rpr h ALA 80 Cb 0.39 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2rpr h ALA 80 CO 0.01 0.48 -0.13 -0.07 0.00 0.00 0.00 179.25 179.54 2rpr h LEU 81 N 1.06 0.00 0.00 0.00 3.38 -1.41 -2.59 115.31 115.74 2rpr h LEU 81 Ca 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 2rpr h LEU 81 Cb -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2rpr h LEU 81 CO -0.08 0.13 -1.28 0.03 0.09 0.00 0.00 178.44 177.32 2rpr h ARG 82 N 0.00 0.00 0.00 1.13 3.08 -1.03 -3.34 114.38 114.22 2rpr h ARG 82 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2rpr h ARG 82 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2rpr h ARG 82 CO 0.02 0.29 -0.60 0.37 -1.07 0.00 0.00 179.97 178.97 2rpr h GLN 83 N 0.00 0.00 0.00 0.04 5.75 -0.72 -3.06 115.11 117.12 2rpr h GLN 83 Ca -0.13 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.28 2rpr h GLN 83 Cb 1.52 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.06 2rpr h GLN 83 CO 0.04 0.60 -0.39 0.07 -2.65 0.00 0.00 178.83 176.51 2rpr h ARG 84 N 0.00 0.00 0.00 1.69 0.11 -1.59 -3.27 114.38 111.33 2rpr h ARG 84 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2rpr h ARG 84 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2rpr h ARG 84 CO 0.08 0.39 -0.00 0.93 0.10 0.00 0.00 179.97 181.46 2rpr h GLU 85 N 0.00 -0.01 -5.01 0.08 3.07 -1.66 -3.48 114.58 107.57 2rpr h GLU 85 Ca -0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 2rpr h GLU 85 Cb 0.97 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.75 2rpr h GLU 85 CO 0.05 0.84 -0.54 -0.98 -1.40 0.00 0.00 179.01 176.98 2rpr s ARG 86 N -2.69 1.79 0.00 2.33 1.04 -1.16 -5.15 118.95 115.10 2rpr s ARG 86 Ca -0.18 -2.06 0.00 0.00 -1.04 0.00 0.00 55.73 52.46 2rpr s ARG 86 Cb -0.02 -0.46 0.00 0.00 -2.04 0.00 0.00 34.95 32.44 2rpr s ARG 86 CO 0.66 -0.44 0.00 -0.11 -0.04 0.00 0.00 175.30 175.38