#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpr s SER 2 N 0.00 1.46 -0.33 1.61 0.15 -1.26 -5.13 113.70 110.21 2rpr s SER 2 Ca 0.00 -1.02 0.03 0.00 0.70 0.00 0.00 55.95 55.66 2rpr s SER 2 Cb 0.00 0.04 0.10 0.00 -1.71 0.00 0.00 66.02 64.45 2rpr s SER 2 CO 0.00 -0.41 0.06 -0.44 1.20 0.00 0.00 173.24 173.65 2rpr s SER 3 N -3.11 4.58 0.00 5.45 0.01 -1.26 -5.07 113.70 114.30 2rpr s SER 3 Ca 0.15 -2.01 0.00 0.00 1.31 0.00 0.00 55.95 55.40 2rpr s SER 3 Cb 0.04 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2rpr s SER 3 CO -0.02 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2rpr n GLY 4 N 4.40 0.71 3.05 3.44 0.00 -1.26 -5.14 105.19 110.39 2rpr n GLY 4 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2rpr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpr s SER 5 N -0.63 0.81 0.59 1.61 0.01 -1.26 -5.17 113.70 109.66 2rpr s SER 5 Ca 0.00 -0.51 0.09 0.00 1.31 0.00 0.00 55.95 56.84 2rpr s SER 5 Cb 0.00 0.03 0.09 0.00 0.21 0.00 0.00 66.02 66.35 2rpr s SER 5 CO 0.00 -0.18 0.77 -1.54 0.41 0.00 0.00 173.24 172.69 2rpr n SER 6 N 1.60 2.23 0.00 2.44 3.41 -1.26 -5.04 113.62 117.00 2rpr n SER 6 Ca -0.22 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 2rpr n SER 6 Cb 0.55 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2rpr n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rpr n GLY 7 N -2.15 -0.40 3.12 5.00 0.00 -1.26 -5.06 105.19 104.45 2rpr n GLY 7 Ca 0.14 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 5.02 0.37 0.99 2.96 -1.26 -5.09 118.68 121.66 2rpr s LEU 8 Ca 0.00 -1.91 -0.25 0.00 -0.22 0.00 0.00 54.13 51.74 2rpr s LEU 8 Cb 0.00 -1.80 -0.09 0.00 0.50 0.00 0.00 46.19 44.80 2rpr s LEU 8 CO 0.00 -0.49 1.06 -0.60 -1.32 0.00 0.00 176.35 175.00 2rpr s ARG 9 N 1.15 4.29 0.00 1.98 3.00 -1.26 -4.97 118.95 123.14 2rpr s ARG 9 Ca 0.06 1.57 0.00 0.00 -1.00 0.00 0.00 55.73 56.37 2rpr s ARG 9 Cb -0.22 -2.71 0.00 0.00 0.00 0.00 0.00 34.95 32.02 2rpr s ARG 9 CO -0.04 -0.04 0.00 -0.35 0.00 0.00 0.00 175.30 174.87 2rpr n PRO 10 N 0.25 -0.36 -3.60 5.12 -0.04 -1.23 -3.44 135.00 131.70 2rpr n PRO 10 Ca 0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.34 2rpr n PRO 10 Cb 0.48 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.42 -0.13 1.53 2.96 -1.13 -4.56 118.68 116.94 2rpr s LEU 11 Ca 0.00 0.91 -0.05 0.00 -0.22 0.00 0.00 54.13 54.77 2rpr s LEU 11 Cb 0.00 2.27 -0.04 0.00 0.50 0.00 0.00 46.19 48.92 2rpr s LEU 11 CO 0.00 -0.42 0.05 -0.70 -1.32 0.00 0.00 176.35 173.95 2rpr s GLU 12 N -0.53 3.44 0.25 1.98 2.12 -1.25 -5.08 118.70 119.62 2rpr s GLU 12 Ca -0.06 -0.33 0.06 0.00 0.36 0.00 0.00 54.97 55.00 2rpr s GLU 12 Cb -0.03 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.29 2rpr s GLU 12 CO 0.05 0.56 -0.08 -0.06 -0.54 0.00 0.00 175.26 175.20 2rpr s PHE 13 N -0.45 1.81 0.03 5.30 0.08 -1.26 -1.98 117.98 121.50 2rpr s PHE 13 Ca 0.09 -0.70 -0.13 0.00 0.12 0.00 0.00 56.93 56.32 2rpr s PHE 13 Cb -0.12 -0.98 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 2rpr s PHE 13 CO 0.02 0.25 0.27 -0.51 -0.10 0.00 0.00 175.22 175.16 2rpr s LEU 14 N -3.38 1.01 0.09 -0.37 1.43 -0.90 -4.89 118.68 111.67 2rpr s LEU 14 Ca 0.27 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 2rpr s LEU 14 Cb 0.03 1.21 -0.03 0.00 0.03 0.00 0.00 46.19 47.43 2rpr s LEU 14 CO 0.10 -0.55 -0.18 0.00 0.23 0.00 0.00 176.35 175.96 2rpr s ARG 15 N -2.17 0.98 0.35 1.70 1.04 -1.26 0.77 118.95 120.36 2rpr s ARG 15 Ca -0.08 -1.05 0.04 0.00 -1.04 0.00 0.00 55.73 53.60 2rpr s ARG 15 Cb -0.02 -1.11 0.04 0.00 -2.04 0.00 0.00 34.95 31.81 2rpr s ARG 15 CO -0.01 0.25 0.33 0.25 -0.04 0.00 0.00 175.30 176.08 2rpr n THR 16 N 1.20 0.00 0.00 4.99 -2.24 0.39 -4.94 114.28 113.68 2rpr n THR 16 Ca -0.20 -1.33 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 2rpr n THR 16 Cb 0.54 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2rpr n THR 16 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2rpr n SER 17 N -2.08 0.00 -4.06 3.42 7.64 -1.26 -4.53 113.62 112.75 2rpr n SER 17 Ca 0.02 0.52 -0.20 0.00 1.01 0.00 0.00 58.87 60.22 2rpr n SER 17 Cb 0.39 -0.15 -0.15 0.00 -1.01 0.00 0.00 64.21 63.29 2rpr n SER 17 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2rpr s LEU 18 N -3.27 2.02 -0.70 -3.43 2.34 -1.26 -4.90 118.68 109.48 2rpr s LEU 18 Ca 0.00 -0.20 -0.04 0.00 0.06 0.00 0.00 54.13 53.94 2rpr s LEU 18 Cb 0.00 -0.58 0.01 0.00 -0.56 0.00 0.00 46.19 45.05 2rpr s LEU 18 CO 0.00 0.14 0.48 0.61 -1.06 0.00 0.00 176.35 176.52 2rpr n GLY 19 N 2.80 -0.98 2.69 -3.48 0.00 -1.26 -4.92 105.19 100.04 2rpr n GLY 19 Ca -0.14 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.48 0.07 3.57 -0.02 0.00 -1.26 -4.97 105.19 101.09 2rpr n GLY 20 Ca -0.23 0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 0.62 3.73 0.42 1.61 6.06 -1.26 0.15 118.95 130.27 2rpr s ARG 21 Ca 0.31 -0.25 0.07 0.00 -2.50 0.00 0.00 55.73 53.36 2rpr s ARG 21 Cb 0.10 -3.75 0.01 0.00 0.06 0.00 0.00 34.95 31.37 2rpr s ARG 21 CO -0.14 -0.44 0.58 -0.06 -2.50 0.00 0.00 175.30 172.73 2rpr s PHE 22 N 2.06 2.89 -0.21 5.12 0.08 0.23 -4.49 117.98 123.66 2rpr s PHE 22 Ca 0.13 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 56.89 2rpr s PHE 22 Cb -0.16 -2.35 0.04 0.00 -0.57 0.00 0.00 43.02 39.98 2rpr s PHE 22 CO 0.11 -0.39 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.56 2rpr s LEU 23 N -4.37 2.39 -0.43 -0.37 2.96 -0.88 -2.11 118.68 115.87 2rpr s LEU 23 Ca 0.53 -0.94 -0.21 0.00 -0.22 0.00 0.00 54.13 53.29 2rpr s LEU 23 Cb -0.10 -1.27 0.02 0.00 0.50 0.00 0.00 46.19 45.35 2rpr s LEU 23 CO 0.33 -0.15 0.68 -0.69 -1.32 0.00 0.00 176.35 175.21 2rpr s VAL 24 N 1.37 4.79 -0.13 1.68 1.01 -0.84 -1.54 120.40 126.74 2rpr s VAL 24 Ca -0.02 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 2rpr s VAL 24 Cb -0.17 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.05 2rpr s VAL 24 CO -0.08 -0.59 0.28 -2.28 0.00 0.00 0.00 175.10 172.44 2rpr s HIS 25 N 2.93 -0.43 -1.20 5.22 5.04 -1.01 -3.91 115.29 121.93 2rpr s HIS 25 Ca 0.25 0.98 -0.06 0.00 -1.54 0.00 0.00 55.06 54.68 2rpr s HIS 25 Cb -0.14 0.06 0.01 0.00 0.04 0.00 0.00 32.58 32.55 2rpr s HIS 25 CO 0.19 -0.32 0.84 0.39 -2.34 0.00 0.00 174.74 173.51 2rpr n GLU 26 N 4.79 -5.87 -1.29 2.88 -0.58 -1.26 -1.47 120.64 117.85 2rpr n GLU 26 Ca -0.16 0.72 -0.10 0.00 -0.42 0.00 0.00 57.16 57.20 2rpr n GLU 26 Cb 0.52 -5.34 -0.04 0.00 -0.57 0.00 0.00 31.44 26.00 2rpr n GLU 26 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2rpr n SER 27 N -2.14 -5.39 -4.85 1.62 2.88 -1.26 -4.85 113.62 99.63 2rpr n SER 27 Ca -0.03 0.24 -0.28 0.00 -1.33 0.00 0.00 58.87 57.48 2rpr n SER 27 Cb 0.57 -3.76 -0.03 0.00 -0.75 0.00 0.00 64.21 60.24 2rpr n SER 27 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2rpr s PHE 28 N -1.97 1.80 -0.05 0.66 0.08 -0.54 -3.91 117.98 114.04 2rpr s PHE 28 Ca 0.00 -0.84 0.01 0.00 0.12 0.00 0.00 56.93 56.23 2rpr s PHE 28 Cb 0.00 -1.85 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 2rpr s PHE 28 CO 0.00 -0.24 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.30 2rpr s LEU 29 N -4.15 1.44 0.43 -0.37 1.43 -1.26 -2.40 118.68 113.81 2rpr s LEU 29 Ca 0.28 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2rpr s LEU 29 Cb -0.01 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 2rpr s LEU 29 CO 0.17 -0.02 0.05 -0.31 0.23 0.00 0.00 176.35 176.47 2rpr s TYR 30 N 0.83 1.97 -0.01 0.29 1.51 -0.59 -0.34 117.35 121.01 2rpr s TYR 30 Ca -0.12 -1.01 0.03 0.00 -1.01 0.00 0.00 57.07 54.95 2rpr s TYR 30 Cb -0.15 -1.44 -0.00 0.00 -0.11 0.00 0.00 41.96 40.26 2rpr s TYR 30 CO 0.01 0.06 -0.08 1.03 -1.11 0.00 0.00 175.55 175.46 2rpr s ARG 31 N -3.80 0.71 -0.25 -0.62 0.52 0.29 -2.07 118.95 113.72 2rpr s ARG 31 Ca 0.22 -0.29 -0.28 0.00 -0.52 0.00 0.00 55.73 54.85 2rpr s ARG 31 Cb 0.05 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.79 2rpr s ARG 31 CO 0.11 0.16 1.95 0.21 0.02 0.00 0.00 175.30 177.75 2rpr s LYS 32 N -0.12 3.36 -0.14 3.54 2.20 -1.26 -1.00 119.74 126.32 2rpr s LYS 32 Ca 0.02 1.75 -0.10 0.00 -0.36 0.00 0.00 55.97 57.29 2rpr s LYS 32 Cb -0.04 -4.24 -0.06 0.00 -1.51 0.00 0.00 37.83 31.97 2rpr s LYS 32 CO -0.00 -1.83 -0.02 1.49 -0.36 0.00 0.00 175.35 174.63 2rpr h GLU 33 N 13.32 0.00 -3.55 4.03 4.57 -1.51 -3.49 114.58 127.95 2rpr h GLU 33 Ca -0.37 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.76 2rpr h GLU 33 Cb 1.20 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.69 2rpr h GLU 33 CO 0.99 0.21 -0.09 -1.59 -1.18 0.00 0.00 179.01 177.36 2rpr s LYS 34 N -2.09 1.46 -0.06 1.92 -2.85 -1.24 -5.02 119.74 111.87 2rpr s LYS 34 Ca -0.13 -1.12 0.03 0.00 -1.00 0.00 0.00 55.97 53.74 2rpr s LYS 34 Cb 0.02 0.48 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 2rpr s LYS 34 CO 0.25 -0.61 -0.14 0.00 0.10 0.00 0.00 175.35 174.95 2rpr s ALA 35 N -3.97 1.39 -0.36 0.59 0.00 -1.26 0.28 121.76 118.43 2rpr s ALA 35 Ca 0.17 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.62 2rpr s ALA 35 Cb -0.01 -0.56 0.10 0.00 0.00 0.00 0.00 23.12 22.66 2rpr s ALA 35 CO 0.04 0.17 0.10 0.00 0.00 0.00 0.00 175.76 176.08 2rpr s ALA 36 N 0.45 2.98 0.00 0.00 0.00 0.36 -4.97 121.76 120.59 2rpr s ALA 36 Ca -0.12 -2.54 0.00 0.00 0.00 0.00 0.00 51.96 49.31 2rpr s ALA 36 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.86 2rpr s ALA 36 CO 0.04 -1.73 0.00 0.41 0.00 0.00 0.00 175.76 174.48 2rpr n GLY 37 N 4.37 0.66 0.34 0.00 0.00 -1.26 -0.77 105.19 108.53 2rpr n GLY 37 Ca 0.02 0.51 0.04 0.00 0.00 0.00 0.00 46.02 46.59 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 0.74 -4.08 1.61 4.07 -1.26 -5.01 120.64 116.70 2rpr n GLU 38 Ca 0.00 -1.18 -0.24 0.00 -0.06 0.00 0.00 57.16 55.68 2rpr n GLU 38 Cb 0.00 -1.16 -0.05 0.00 -0.06 0.00 0.00 31.44 30.18 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2rpr s LYS 39 N -0.73 2.98 -0.10 5.31 1.02 0.05 -3.85 119.74 124.42 2rpr s LYS 39 Ca 0.11 -0.93 -0.02 0.00 0.02 0.00 0.00 55.97 55.14 2rpr s LYS 39 Cb 0.07 -2.64 0.04 0.00 -0.52 0.00 0.00 37.83 34.78 2rpr s LYS 39 CO 0.10 0.44 0.03 0.08 -0.92 0.00 0.00 175.35 175.08 2rpr s VAL 40 N -1.94 0.26 0.38 3.17 1.01 0.10 -0.49 120.40 122.90 2rpr s VAL 40 Ca 0.32 -0.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 2rpr s VAL 40 Cb -0.09 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.61 2rpr s VAL 40 CO 0.25 0.08 0.97 -0.31 0.00 0.00 0.00 175.10 176.08 2rpr s TYR 41 N 2.00 3.47 0.20 5.22 1.51 0.14 -1.02 117.35 128.88 2rpr s TYR 41 Ca 0.03 1.70 0.01 0.00 -1.01 0.00 0.00 57.07 57.80 2rpr s TYR 41 Cb -0.14 -2.93 -0.05 0.00 -0.11 0.00 0.00 41.96 38.73 2rpr s TYR 41 CO -0.06 -0.06 0.06 -1.58 -1.11 0.00 0.00 175.55 172.80 2rpr s TRP 42 N -1.83 1.25 -0.18 2.71 0.52 0.14 -1.30 118.94 120.26 2rpr s TRP 42 Ca 0.56 -1.17 -0.12 0.00 0.02 0.00 0.00 56.10 55.39 2rpr s TRP 42 Cb -0.16 -0.70 0.06 0.00 -1.15 0.00 0.00 33.47 31.52 2rpr s TRP 42 CO 0.21 -0.38 0.45 0.00 0.02 0.00 0.00 176.95 177.24 2rpr s MET 43 N -4.02 0.45 -0.40 4.98 0.23 -0.17 -1.11 119.30 119.27 2rpr s MET 43 Ca 0.31 0.78 -0.41 0.00 -1.03 0.00 0.00 55.69 55.35 2rpr s MET 43 Cb 0.07 0.06 -0.16 0.00 -1.53 0.00 0.00 34.83 33.27 2rpr s MET 43 CO 0.08 -0.13 1.98 0.00 -2.03 0.00 0.00 175.02 174.92 2rpr h ARG 45 N 9.05 0.00 -1.95 0.00 0.11 -0.92 -2.24 114.38 118.43 2rpr h ARG 45 Ca -0.29 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.47 2rpr h ARG 45 Cb 1.36 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.32 2rpr h ARG 45 CO 1.02 0.00 0.05 -0.25 0.10 0.00 0.00 179.97 180.89 2rpr n ASP 46 N -4.20 5.89 0.07 0.08 9.92 -1.26 -4.32 116.55 122.73 2rpr n ASP 46 Ca 0.08 -2.84 -0.19 0.00 -0.53 0.00 0.00 54.79 51.31 2rpr n ASP 46 Cb 0.55 -1.28 -0.14 0.00 -0.64 0.00 0.00 41.12 39.61 2rpr n ASP 46 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 2rpr h GLN 47 N 2.69 0.30 0.00 -1.24 3.07 -1.48 -1.69 115.11 116.75 2rpr h GLN 47 Ca 0.27 -0.50 0.00 0.00 0.09 0.00 0.00 58.65 58.51 2rpr h GLN 47 Cb 1.08 0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.83 2rpr h GLN 47 CO 0.54 1.17 -0.85 0.00 0.09 0.00 0.00 178.83 179.78 2rpr n ALA 48 N -2.73 3.55 -0.12 0.06 0.00 -1.26 -2.08 120.51 117.93 2rpr n ALA 48 Ca -0.19 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 52.66 2rpr n ALA 48 Cb 1.06 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.80 0.65 -0.48 0.00 0.00 -1.25 -4.51 116.66 109.27 2rpr n ARG 49 Ca 0.03 0.18 0.05 0.00 -0.00 0.00 0.00 57.85 58.11 2rpr n ARG 49 Cb 0.40 -1.54 0.21 0.00 0.00 0.00 0.00 32.46 31.53 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 -3.38 3.46 -3.91 6.15 4.77 -0.64 -4.98 117.00 118.47 2rpr n LEU 50 Ca -0.45 -3.36 -0.27 0.00 -0.03 0.00 0.00 56.01 51.89 2rpr n LEU 50 Cb 0.98 -0.54 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2rpr n LEU 50 CO 0.26 0.94 -0.29 0.61 -1.33 0.00 0.00 177.39 177.58 2rpr n GLY 51 N -0.99 -0.26 2.99 -0.72 0.00 -0.89 -4.68 105.19 100.65 2rpr n GLY 51 Ca 0.23 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 4.79 2.98 -2.98 0.00 5.12 -1.26 -3.73 116.66 121.58 2rpr n ARG 53 Ca -0.15 -3.82 -0.42 0.00 -1.93 0.00 0.00 57.85 51.53 2rpr n ARG 53 Cb 0.49 -2.27 -0.05 0.00 -1.16 0.00 0.00 32.46 29.47 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 -1.77 6.63 0.28 0.55 0.15 -1.26 -4.88 113.70 113.40 2rpr s SER 54 Ca 0.51 0.62 0.07 0.00 0.70 0.00 0.00 55.95 57.85 2rpr s SER 54 Cb 0.42 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 62.31 2rpr s SER 54 CO -0.35 -0.59 0.25 -0.13 1.20 0.00 0.00 173.24 173.62 2rpr s ARG 55 N 2.89 2.93 0.14 5.44 3.00 -1.26 -0.87 118.95 131.21 2rpr s ARG 55 Ca 0.31 -1.09 -0.10 0.00 0.00 0.00 0.00 55.73 54.85 2rpr s ARG 55 Cb -0.14 -2.58 -0.00 0.00 0.00 0.00 0.00 34.95 32.22 2rpr s ARG 55 CO 0.12 0.31 0.27 0.00 0.00 0.00 0.00 175.30 176.00 2rpr s ALA 56 N -2.17 -0.18 -0.08 2.13 0.00 -0.27 -2.21 121.76 118.98 2rpr s ALA 56 Ca 0.36 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2rpr s ALA 56 Cb -0.07 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.78 2rpr s ALA 56 CO 0.26 -0.60 -0.13 0.42 0.00 0.00 0.00 175.76 175.70 2rpr s ILE 57 N -3.92 1.28 0.01 0.00 1.01 0.14 0.28 121.20 120.01 2rpr s ILE 57 Ca 0.12 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.26 2rpr s ILE 57 Cb 0.04 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 2rpr s ILE 57 CO -0.05 0.39 -0.07 0.42 0.00 0.00 0.00 174.94 175.64 2rpr s THR 58 N 0.83 3.64 -0.44 2.92 -4.23 -0.19 0.13 115.64 118.30 2rpr s THR 58 Ca -0.11 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 2rpr s THR 58 Cb -0.15 -2.59 0.13 0.00 1.34 0.00 0.00 72.50 71.23 2rpr s THR 58 CO 0.02 0.39 0.23 -1.58 -0.54 0.00 0.00 174.62 173.14 2rpr s GLN 59 N -1.43 1.36 1.35 3.99 0.74 -1.14 -0.72 119.66 123.81 2rpr s GLN 59 Ca 0.17 -2.05 0.00 0.00 0.05 0.00 0.00 55.36 53.53 2rpr s GLN 59 Cb -0.11 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.54 2rpr s GLN 59 CO 0.08 -1.15 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 2rpr n GLY 60 N 3.54 2.00 0.00 2.59 0.00 -1.25 -2.55 105.19 109.52 2rpr n GLY 60 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.55 1.61 -0.00 -1.26 -5.02 115.22 107.00 2rpr n HIS 61 Ca 0.00 -0.30 -0.24 0.00 -0.00 0.00 0.00 57.72 57.18 2rpr n HIS 61 Cb 0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 29.99 29.99 2rpr n HIS 61 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 2rpr s ARG 62 N -0.60 2.23 0.03 1.57 1.70 -1.06 -2.81 118.95 120.00 2rpr s ARG 62 Ca 0.00 -1.93 -0.16 0.00 -0.47 0.00 0.00 55.73 53.18 2rpr s ARG 62 Cb 0.00 -2.30 0.03 0.00 -0.57 0.00 0.00 34.95 32.10 2rpr s ARG 62 CO 0.00 -0.80 0.34 -1.50 -1.08 0.00 0.00 175.30 172.26 2rpr s ILE 63 N -2.78 0.07 -0.01 4.99 2.07 -1.26 -2.87 121.20 121.41 2rpr s ILE 63 Ca 0.45 -0.56 -0.06 0.00 -1.41 0.00 0.00 60.65 59.06 2rpr s ILE 63 Cb -0.04 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.68 2rpr s ILE 63 CO 0.28 -0.31 0.13 -0.32 -1.91 0.00 0.00 174.94 172.82 2rpr s MET 64 N -2.27 0.39 0.05 3.50 -2.45 0.34 -4.92 119.30 113.94 2rpr s MET 64 Ca -0.07 -0.24 0.08 0.00 -1.25 0.00 0.00 55.69 54.21 2rpr s MET 64 Cb -0.02 0.16 -0.03 0.00 1.25 0.00 0.00 34.83 36.19 2rpr s MET 64 CO -0.01 -0.08 -0.20 0.08 1.05 0.00 0.00 175.02 175.86 2rpr s VAL 65 N -0.97 2.68 -0.01 10.11 1.01 -1.26 0.28 120.40 132.24 2rpr s VAL 65 Ca -0.11 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.55 2rpr s VAL 65 Cb -0.06 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2rpr s VAL 65 CO 0.01 0.31 -0.10 0.23 0.00 0.00 0.00 175.10 175.55 2rpr n MET 66 N 1.48 0.16 -2.83 2.72 2.81 -0.94 -4.94 117.12 115.58 2rpr n MET 66 Ca -0.16 0.06 -0.21 0.00 -1.81 0.00 0.00 57.70 55.58 2rpr n MET 66 Cb 0.52 -0.70 0.08 0.00 -0.71 0.00 0.00 33.22 32.41 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 -2.04 2.07 0.49 0.03 0.52 -1.25 -5.02 118.95 113.76 2rpr s ARG 67 Ca -0.09 -1.37 0.09 0.00 -0.52 0.00 0.00 55.73 53.84 2rpr s ARG 67 Cb 0.01 -2.51 0.04 0.00 0.52 0.00 0.00 34.95 33.01 2rpr s ARG 67 CO 0.13 -1.08 0.65 -1.12 0.02 0.00 0.00 175.30 173.90 2rpr s SER 68 N -4.67 5.35 -0.18 0.23 0.01 -1.26 -4.71 113.70 108.47 2rpr s SER 68 Ca 0.63 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 57.19 2rpr s SER 68 Cb -0.06 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2rpr s SER 68 CO 0.41 -1.02 -0.00 -1.00 0.41 0.00 0.00 173.24 172.03 2rpr s HIS 69 N -2.51 3.07 -1.48 2.43 0.09 -1.26 -4.21 115.29 111.42 2rpr s HIS 69 Ca 0.57 -0.30 0.02 0.00 -0.00 0.00 0.00 55.06 55.36 2rpr s HIS 69 Cb -0.08 -2.03 0.09 0.00 -0.00 0.00 0.00 32.58 30.57 2rpr s HIS 69 CO 0.35 -0.09 0.88 0.00 -0.00 0.00 0.00 174.74 175.88 2rpr s HIS 71 N -1.57 0.09 0.35 0.00 -3.43 -1.26 -4.99 115.29 104.48 2rpr s HIS 71 Ca 0.07 -0.29 -0.12 0.00 -0.80 0.00 0.00 55.06 53.91 2rpr s HIS 71 Cb 0.04 -0.07 -0.07 0.00 -1.43 0.00 0.00 32.58 31.05 2rpr s HIS 71 CO 0.03 -0.36 0.72 -0.65 -2.00 0.00 0.00 174.74 172.49 2rpr s GLN 72 N -2.17 3.86 0.61 -0.38 -1.52 -1.26 -5.06 119.66 113.74 2rpr s GLN 72 Ca -0.08 0.50 -0.17 0.00 -1.95 0.00 0.00 55.36 53.66 2rpr s GLN 72 Cb -0.03 -2.44 -0.03 0.00 -0.22 0.00 0.00 33.01 30.29 2rpr s GLN 72 CO -0.02 0.08 1.12 -1.25 -0.25 0.00 0.00 175.29 174.97 2rpr s PRO 73 N -3.40 3.04 -0.43 2.91 0.04 -1.26 -5.03 135.00 130.86 2rpr s PRO 73 Ca 0.52 1.49 0.02 0.00 0.04 0.00 0.00 61.00 63.06 2rpr s PRO 73 Cb -0.10 -1.97 0.13 0.00 0.04 0.00 0.00 34.50 32.59 2rpr s PRO 73 CO 0.25 -1.08 0.22 -0.51 0.04 0.00 0.00 177.00 175.93 2rpr s ASP 74 N -2.23 3.71 0.49 6.66 1.11 -1.25 -4.96 116.67 120.20 2rpr s ASP 74 Ca 0.69 -2.54 0.16 0.00 0.18 0.00 0.00 52.55 51.05 2rpr s ASP 74 Cb -0.22 -1.04 1.19 0.00 1.07 0.00 0.00 42.92 43.92 2rpr s ASP 74 CO 0.35 -0.28 2.09 -0.07 1.18 0.00 0.00 175.17 178.44 2rpr h LEU 75 N 6.86 0.12 -1.01 1.23 3.38 -1.96 0.19 115.31 124.12 2rpr h LEU 75 Ca -0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2rpr h LEU 75 Cb 0.94 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2rpr h LEU 75 CO 0.48 0.09 -0.40 0.00 0.09 0.00 0.00 178.44 178.70 2rpr h ALA 76 N 1.88 1.17 0.11 1.53 0.00 -1.98 0.21 119.26 122.17 2rpr h ALA 76 Ca 0.10 -0.39 -0.34 0.00 0.00 0.00 0.00 54.91 54.28 2rpr h ALA 76 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2rpr h ALA 76 CO -0.01 0.56 -1.83 0.78 0.00 0.00 0.00 179.25 178.75 2rpr h GLY 77 N 1.20 0.27 1.16 0.00 0.00 -1.54 -3.27 103.07 100.90 2rpr h GLY 77 Ca 0.02 -0.69 -0.21 0.00 0.00 0.00 0.00 47.33 46.45 2rpr h GLY 77 CO 0.06 0.61 -0.68 -2.00 0.00 0.00 0.00 176.54 174.52 2rpr h LEU 78 N 0.06 0.96 -1.55 3.11 5.85 -0.71 -3.09 115.31 119.94 2rpr h LEU 78 Ca -0.36 -0.59 -0.04 0.00 0.84 0.00 0.00 57.88 57.73 2rpr h LEU 78 Cb 2.04 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 2rpr h LEU 78 CO 0.11 1.39 -0.20 -0.33 -0.34 0.00 0.00 178.44 179.07 2rpr h GLU 79 N 0.59 0.04 0.72 1.25 4.39 -1.12 -3.14 114.58 117.32 2rpr h GLU 79 Ca -0.03 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2rpr h GLU 79 Cb 1.31 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2rpr h GLU 79 CO 0.15 0.24 -0.35 0.00 -1.16 0.00 0.00 179.01 177.89 2rpr h ALA 80 N 1.77 -0.97 -0.97 3.43 0.00 -1.58 -2.66 119.26 118.27 2rpr h ALA 80 Ca 0.01 -0.22 0.33 0.00 0.00 0.00 0.00 54.91 55.03 2rpr h ALA 80 Cb 0.37 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 18.36 2rpr h ALA 80 CO 0.03 -0.92 0.26 1.28 0.00 0.00 0.00 179.25 179.90 2rpr n LEU 81 N -5.43 0.10 -0.19 0.00 4.77 -1.18 0.15 117.00 115.23 2rpr n LEU 81 Ca -0.12 1.64 -0.09 0.00 -0.03 0.00 0.00 56.01 57.40 2rpr n LEU 81 Cb 0.39 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 2rpr n LEU 81 CO 0.31 -1.74 0.86 0.03 -1.33 0.00 0.00 177.39 175.52 2rpr h ARG 82 N 0.00 0.88 -1.58 3.23 3.08 -1.55 -2.83 114.38 115.61 2rpr h ARG 82 Ca 0.70 -0.24 0.50 0.00 0.07 0.00 0.00 59.98 61.01 2rpr h ARG 82 Cb 1.68 -0.10 -0.11 0.00 0.08 0.00 0.00 29.97 31.52 2rpr h ARG 82 CO -0.84 0.86 1.07 -0.56 -1.07 0.00 0.00 179.97 179.44 2rpr h GLN 83 N 0.76 0.02 -0.15 0.04 3.07 0.18 1.02 115.11 120.06 2rpr h GLN 83 Ca 0.16 -0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.82 2rpr h GLN 83 Cb 0.42 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.97 2rpr h GLN 83 CO 0.01 0.02 -0.21 0.00 0.09 0.00 0.00 178.83 178.73 2rpr h ARG 84 N 0.02 0.41 0.13 0.06 3.08 -1.46 -3.37 114.38 113.25 2rpr h ARG 84 Ca 0.88 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.68 2rpr h ARG 84 Cb 3.09 0.02 0.00 0.00 0.08 0.00 0.00 29.97 33.16 2rpr h ARG 84 CO -0.28 0.82 -0.06 0.93 -1.07 0.00 0.00 179.97 180.31 2rpr h GLU 85 N 0.02 -0.17 -6.64 0.04 3.07 0.89 -3.47 114.58 108.33 2rpr h GLU 85 Ca 0.01 0.01 -0.43 0.00 -0.50 0.00 0.00 59.36 58.46 2rpr h GLU 85 Cb 0.78 0.04 0.03 0.00 -0.84 0.00 0.00 28.75 28.76 2rpr h GLU 85 CO 0.05 -0.12 -0.15 -0.98 -1.40 0.00 0.00 179.01 176.42 2rpr s ARG 86 N -2.36 2.67 0.00 2.33 1.04 0.02 -5.13 118.95 117.51 2rpr s ARG 86 Ca -0.03 -1.03 0.00 0.00 -1.04 0.00 0.00 55.73 53.63 2rpr s ARG 86 Cb 0.00 -2.63 0.00 0.00 -2.04 0.00 0.00 34.95 30.29 2rpr s ARG 86 CO 0.08 -0.50 0.50 -0.11 -0.04 0.00 0.00 175.30 175.23