#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 4.08 -0.05 1.61 1.04 -1.26 -5.10 113.70 114.03 2rpr s SER 2 Ca 0.00 -1.97 -0.03 0.00 0.48 0.00 0.00 55.95 54.43 2rpr s SER 2 Cb 0.00 -1.04 0.02 0.00 0.10 0.00 0.00 66.02 65.09 2rpr s SER 2 CO 0.00 -0.37 0.11 -0.44 0.98 0.00 0.00 173.24 173.52 2rpr s SER 3 N 1.18 -0.10 0.00 7.02 0.01 -1.26 -5.15 113.70 115.40 2rpr s SER 3 Ca 0.12 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2rpr s SER 3 Cb -0.19 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2rpr s SER 3 CO -0.16 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2rpr n GLY 4 N 3.37 1.88 2.83 3.44 0.00 -1.26 -5.15 105.19 110.31 2rpr n GLY 4 Ca -0.17 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 1.04 0.01 1.61 0.01 -1.26 -5.14 113.70 109.97 2rpr s SER 5 Ca 0.00 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.19 2rpr s SER 5 Cb 0.00 -0.39 -0.01 0.00 0.21 0.00 0.00 66.02 65.83 2rpr s SER 5 CO 0.00 -0.12 -0.05 -0.94 0.41 0.00 0.00 173.24 172.54 2rpr s SER 6 N 1.32 0.61 -0.20 2.44 1.04 -1.26 -5.04 113.70 112.61 2rpr s SER 6 Ca -0.05 -0.27 0.15 0.00 0.48 0.00 0.00 55.95 56.26 2rpr s SER 6 Cb -0.13 -0.01 0.70 0.00 0.10 0.00 0.00 66.02 66.67 2rpr s SER 6 CO -0.02 -0.06 1.62 0.61 0.98 0.00 0.00 173.24 176.37 2rpr n GLY 7 N 2.36 3.37 2.68 7.32 0.00 -1.26 -4.83 105.19 114.83 2rpr n GLY 7 Ca -0.17 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.71 0.09 0.35 0.99 0.20 -1.26 -5.14 118.68 111.20 2rpr s LEU 8 Ca 0.49 -0.66 -0.26 0.00 0.69 0.00 0.00 54.13 54.39 2rpr s LEU 8 Cb 0.38 0.13 -0.09 0.00 -0.43 0.00 0.00 46.19 46.17 2rpr s LEU 8 CO 0.14 -0.37 1.03 -0.13 -0.29 0.00 0.00 176.35 176.72 2rpr s ARG 9 N 2.25 4.41 1.19 1.98 1.81 -1.26 -5.05 118.95 124.28 2rpr s ARG 9 Ca 0.07 1.52 -0.20 0.00 -1.72 0.00 0.00 55.73 55.40 2rpr s ARG 9 Cb -0.15 -2.78 0.30 0.00 -0.45 0.00 0.00 34.95 31.86 2rpr s ARG 9 CO -0.22 0.07 1.06 -0.35 -0.68 0.00 0.00 175.30 175.18 2rpr n PRO 10 N 0.43 -3.10 -4.64 3.54 -0.04 -1.26 -4.33 135.00 125.61 2rpr n PRO 10 Ca 0.03 -1.69 -0.26 0.00 -0.04 0.00 0.00 63.50 61.53 2rpr n PRO 10 Cb 0.49 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 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 2.19 -0.02 1.53 2.96 -1.23 -4.79 118.68 119.32 2rpr s LEU 11 Ca 0.69 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.85 2rpr s LEU 11 Cb -0.07 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 2rpr s LEU 11 CO 0.53 0.17 0.48 -0.70 -1.32 0.00 0.00 176.35 175.50 2rpr s GLU 12 N -1.34 4.13 0.23 1.98 2.12 -1.26 -5.06 118.70 119.50 2rpr s GLU 12 Ca 0.09 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.94 2rpr s GLU 12 Cb -0.09 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 2rpr s GLU 12 CO 0.02 0.50 0.11 -0.06 -0.54 0.00 0.00 175.26 175.29 2rpr s PHE 13 N -0.53 1.36 -0.09 5.30 0.08 -1.26 -1.93 117.98 120.91 2rpr s PHE 13 Ca 0.26 -1.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.02 2rpr s PHE 13 Cb -0.17 -0.74 0.05 0.00 -0.57 0.00 0.00 43.02 41.58 2rpr s PHE 13 CO 0.14 -0.46 0.17 -0.51 -0.10 0.00 0.00 175.22 174.47 2rpr s LEU 14 N -3.24 -0.03 -0.13 -0.37 1.43 -0.89 -4.77 118.68 110.67 2rpr s LEU 14 Ca 0.37 0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 53.67 2rpr s LEU 14 Cb 0.07 0.35 -0.04 0.00 0.03 0.00 0.00 46.19 46.60 2rpr s LEU 14 CO 0.12 -0.23 0.46 -0.13 0.23 0.00 0.00 176.35 176.79 2rpr s ARG 15 N 2.20 4.31 0.35 1.70 3.00 -1.26 0.33 118.95 129.58 2rpr s ARG 15 Ca 0.02 0.40 0.08 0.00 0.00 0.00 0.00 55.73 56.22 2rpr s ARG 15 Cb -0.12 -3.45 -0.03 0.00 0.00 0.00 0.00 34.95 31.35 2rpr s ARG 15 CO -0.06 0.13 0.24 0.95 0.00 0.00 0.00 175.30 176.56 2rpr s THR 16 N 0.72 3.23 -0.12 0.02 -4.23 0.84 -4.98 115.64 111.12 2rpr s THR 16 Ca 0.24 -1.51 0.11 0.00 -1.18 0.00 0.00 61.69 59.36 2rpr s THR 16 Cb -0.15 -3.08 -0.16 0.00 1.34 0.00 0.00 72.50 70.45 2rpr s THR 16 CO 0.09 -0.16 0.05 -1.20 -0.54 0.00 0.00 174.62 172.86 2rpr n SER 17 N -1.29 1.83 -0.06 3.99 7.64 -1.26 -4.49 113.62 119.97 2rpr n SER 17 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.84 2rpr n SER 17 Cb 0.61 0.84 -0.01 0.00 -1.01 0.00 0.00 64.21 64.64 2rpr n SER 17 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2rpr h LEU 18 N 0.00 0.00 0.00 -3.43 4.07 -2.05 -3.46 115.31 110.44 2rpr h LEU 18 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2rpr h LEU 18 Cb 1.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.50 2rpr h LEU 18 CO 0.02 0.62 0.00 0.61 -1.08 0.00 0.00 178.44 178.61 2rpr n GLY 19 N 1.69 1.54 0.00 0.83 0.00 -1.26 -5.11 105.19 102.88 2rpr n GLY 19 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 2.88 0.43 3.66 -0.02 0.00 -1.26 -5.01 105.19 105.86 2rpr n GLY 20 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 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 2.36 2.45 0.26 1.61 3.52 -1.26 -0.11 118.95 127.77 2rpr s ARG 21 Ca 0.00 -0.92 0.04 0.00 -0.13 0.00 0.00 55.73 54.72 2rpr s ARG 21 Cb 0.00 -2.47 -0.06 0.00 -1.56 0.00 0.00 34.95 30.87 2rpr s ARG 21 CO 0.00 0.52 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.94 2rpr s PHE 22 N -1.37 1.73 -0.16 5.12 0.08 0.15 -4.46 117.98 119.07 2rpr s PHE 22 Ca 0.25 -0.87 -0.02 0.00 0.12 0.00 0.00 56.93 56.42 2rpr s PHE 22 Cb -0.11 -1.02 0.05 0.00 -0.57 0.00 0.00 43.02 41.37 2rpr s PHE 22 CO 0.18 0.05 0.00 -1.17 -0.10 0.00 0.00 175.22 174.18 2rpr s LEU 23 N -3.37 1.20 -0.26 -0.37 2.96 -0.57 -2.10 118.68 116.17 2rpr s LEU 23 Ca 0.30 -0.64 -0.22 0.00 -0.22 0.00 0.00 54.13 53.35 2rpr s LEU 23 Cb 0.06 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 46.08 2rpr s LEU 23 CO 0.11 -0.25 0.70 -0.69 -1.32 0.00 0.00 176.35 174.90 2rpr s VAL 24 N 1.81 4.92 -0.22 1.68 1.01 -0.81 -1.49 120.40 127.30 2rpr s VAL 24 Ca 0.01 1.24 -0.14 0.00 0.00 0.00 0.00 61.98 63.08 2rpr s VAL 24 Cb -0.16 -4.01 0.07 0.00 0.00 0.00 0.00 36.38 32.28 2rpr s VAL 24 CO -0.07 -0.04 0.56 -2.28 0.00 0.00 0.00 175.10 173.26 2rpr s HIS 25 N 2.65 -0.79 -1.48 5.22 5.04 -0.96 -4.17 115.29 120.80 2rpr s HIS 25 Ca 0.29 1.68 -0.07 0.00 -1.54 0.00 0.00 55.06 55.42 2rpr s HIS 25 Cb -0.15 0.40 0.02 0.00 0.04 0.00 0.00 32.58 32.89 2rpr s HIS 25 CO 0.09 -0.41 0.76 0.39 -2.34 0.00 0.00 174.74 173.24 2rpr n GLU 26 N 3.93 -5.53 -2.04 2.88 -0.58 -1.26 -0.88 120.64 117.17 2rpr n GLU 26 Ca -0.20 0.82 -0.19 0.00 -0.42 0.00 0.00 57.16 57.18 2rpr n GLU 26 Cb 0.57 -5.72 -0.04 0.00 -0.57 0.00 0.00 31.44 25.68 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 -2.64 -5.34 -3.96 1.62 7.64 -1.26 -4.87 113.62 104.80 2rpr n SER 27 Ca -0.06 0.17 -0.26 0.00 1.01 0.00 0.00 58.87 59.73 2rpr n SER 27 Cb 0.59 -4.43 -0.06 0.00 -1.01 0.00 0.00 64.21 59.29 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 -3.40 0.50 -4.36 1.43 3.72 -0.06 -4.22 117.46 111.08 2rpr n PHE 28 Ca -0.21 -2.33 -0.20 0.00 -0.05 0.00 0.00 57.45 54.67 2rpr n PHE 28 Cb 0.65 -0.13 -0.15 0.00 -0.94 0.00 0.00 39.48 38.91 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 1.80 0.16 4.37 1.43 -1.26 -2.27 118.68 122.91 2rpr s LEU 29 Ca 0.11 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 2rpr s LEU 29 Cb 0.01 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 2rpr s LEU 29 CO 0.08 0.06 -0.11 -0.31 0.23 0.00 0.00 176.35 176.30 2rpr s TYR 30 N 0.17 1.36 -0.08 0.29 1.51 -0.55 0.10 117.35 120.15 2rpr s TYR 30 Ca -0.03 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.35 2rpr s TYR 30 Cb -0.08 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 2rpr s TYR 30 CO 0.00 0.14 -0.14 1.03 -1.11 0.00 0.00 175.55 175.48 2rpr s ARG 31 N -3.62 2.79 -0.27 -0.62 0.52 0.90 -1.52 118.95 117.14 2rpr s ARG 31 Ca 0.17 -0.69 -0.28 0.00 -0.52 0.00 0.00 55.73 54.42 2rpr s ARG 31 Cb 0.01 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 2rpr s ARG 31 CO 0.02 0.50 2.18 0.21 0.02 0.00 0.00 175.30 178.23 2rpr s LYS 32 N -0.39 3.02 -0.10 3.54 2.20 -1.26 -1.25 119.74 125.49 2rpr s LYS 32 Ca 0.04 1.85 -0.01 0.00 -0.36 0.00 0.00 55.97 57.50 2rpr s LYS 32 Cb -0.12 -4.38 -0.00 0.00 -1.51 0.00 0.00 37.83 31.82 2rpr s LYS 32 CO 0.02 -2.23 -0.02 1.49 -0.36 0.00 0.00 175.35 174.25 2rpr h GLU 33 N 15.36 0.00 -3.65 4.03 4.81 -0.68 -3.48 114.58 130.97 2rpr h GLU 33 Ca -0.38 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.70 2rpr h GLU 33 Cb 1.23 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 2rpr h GLU 33 CO 1.00 0.00 -0.00 -1.59 -0.73 0.00 0.00 179.01 177.68 2rpr s LYS 34 N -1.62 2.00 -0.08 1.92 -2.85 -1.21 -4.98 119.74 112.93 2rpr s LYS 34 Ca -0.01 -1.58 -0.02 0.00 -1.00 0.00 0.00 55.97 53.35 2rpr s LYS 34 Cb 0.00 0.52 0.04 0.00 -2.06 0.00 0.00 37.83 36.33 2rpr s LYS 34 CO 0.02 -0.88 0.05 0.00 0.10 0.00 0.00 175.35 174.65 2rpr s ALA 35 N -2.88 0.44 -0.78 0.59 0.00 -1.26 0.41 121.76 118.27 2rpr s ALA 35 Ca 0.24 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 2rpr s ALA 35 Cb -0.02 -0.76 0.20 0.00 0.00 0.00 0.00 23.12 22.54 2rpr s ALA 35 CO 0.16 -0.65 0.73 0.00 0.00 0.00 0.00 175.76 176.00 2rpr s ALA 36 N 2.09 4.00 0.00 0.00 0.00 0.68 -4.89 121.76 123.64 2rpr s ALA 36 Ca 0.04 -3.18 0.00 0.00 0.00 0.00 0.00 51.96 48.82 2rpr s ALA 36 Cb -0.13 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2rpr s ALA 36 CO -0.05 -2.25 0.00 0.41 0.00 0.00 0.00 175.76 173.87 2rpr n GLY 37 N 4.21 0.89 0.13 0.00 0.00 -1.26 -1.09 105.19 108.07 2rpr n GLY 37 Ca 0.09 0.51 0.02 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 -0.48 -4.03 1.61 -0.58 -1.26 -5.03 120.64 110.87 2rpr n GLU 38 Ca 0.00 -0.71 -0.24 0.00 -0.42 0.00 0.00 57.16 55.78 2rpr n GLU 38 Cb 0.00 -1.06 -0.04 0.00 -0.57 0.00 0.00 31.44 29.77 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 -0.29 3.17 -0.08 3.49 1.02 -0.25 -4.17 119.74 122.62 2rpr s LYS 39 Ca 0.04 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 2rpr s LYS 39 Cb 0.03 -2.77 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 2rpr s LYS 39 CO 0.04 0.47 0.05 0.08 -0.92 0.00 0.00 175.35 175.07 2rpr s VAL 40 N -1.86 0.09 0.33 3.17 1.01 -0.14 -0.23 120.40 122.77 2rpr s VAL 40 Ca 0.33 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.26 2rpr s VAL 40 Cb -0.10 -0.40 -0.10 0.00 0.00 0.00 0.00 36.38 35.79 2rpr s VAL 40 CO 0.26 0.10 0.87 -0.31 0.00 0.00 0.00 175.10 176.02 2rpr s TYR 41 N 2.08 3.54 0.08 5.22 1.51 0.16 -0.64 117.35 129.31 2rpr s TYR 41 Ca 0.04 1.57 0.01 0.00 -1.01 0.00 0.00 57.07 57.68 2rpr s TYR 41 Cb -0.13 -2.78 -0.04 0.00 -0.11 0.00 0.00 41.96 38.90 2rpr s TYR 41 CO -0.05 0.14 -0.05 -1.58 -1.11 0.00 0.00 175.55 172.90 2rpr s TRP 42 N -1.79 0.75 -0.08 2.71 0.52 0.17 0.08 118.94 121.30 2rpr s TRP 42 Ca 0.52 -0.95 -0.03 0.00 0.02 0.00 0.00 56.10 55.66 2rpr s TRP 42 Cb -0.15 -0.47 0.04 0.00 -1.15 0.00 0.00 33.47 31.75 2rpr s TRP 42 CO 0.19 -0.23 0.16 0.00 0.02 0.00 0.00 176.95 177.09 2rpr s MET 43 N -3.78 0.07 -0.45 4.98 0.23 -0.38 -1.19 119.30 118.78 2rpr s MET 43 Ca 0.09 0.46 -0.41 0.00 -1.03 0.00 0.00 55.69 54.80 2rpr s MET 43 Cb 0.06 -0.21 -0.18 0.00 -1.53 0.00 0.00 34.83 32.97 2rpr s MET 43 CO -0.06 -0.22 1.74 0.00 -2.03 0.00 0.00 175.02 174.45 2rpr h ARG 45 N 6.68 0.00 -1.81 0.00 0.11 -0.61 -1.65 114.38 117.09 2rpr h ARG 45 Ca -0.22 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.62 2rpr h ARG 45 Cb 1.27 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.25 2rpr h ARG 45 CO 0.95 0.00 0.17 -0.25 0.10 0.00 0.00 179.97 180.94 2rpr n ASP 46 N -3.24 5.97 0.04 0.08 9.92 -1.26 -4.22 116.55 123.84 2rpr n ASP 46 Ca 0.02 -2.82 -0.16 0.00 -0.53 0.00 0.00 54.79 51.31 2rpr n ASP 46 Cb 0.51 -1.17 -0.14 0.00 -0.64 0.00 0.00 41.12 39.69 2rpr n ASP 46 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 2rpr h GLN 47 N 1.85 0.21 -0.00 -1.24 4.15 -1.43 -1.59 115.11 117.06 2rpr h GLN 47 Ca 0.21 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2rpr h GLN 47 Cb 1.00 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2rpr h GLN 47 CO 0.49 1.04 -0.82 0.00 -1.93 0.00 0.00 178.83 177.61 2rpr n ALA 48 N -2.69 4.34 -0.11 3.38 0.00 -1.26 -2.81 120.51 121.35 2rpr n ALA 48 Ca -0.18 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.52 2rpr n ALA 48 Cb 1.04 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.32 0.55 -0.76 0.00 0.63 -1.26 -4.60 116.66 109.91 2rpr n ARG 49 Ca 0.05 0.29 -0.03 0.00 -0.92 0.00 0.00 57.85 57.24 2rpr n ARG 49 Cb 0.35 -1.51 0.22 0.00 0.45 0.00 0.00 32.46 31.97 2rpr n ARG 49 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2rpr n LEU 50 N -4.38 4.49 -4.33 6.15 4.77 -0.97 -4.96 117.00 117.77 2rpr n LEU 50 Ca -0.33 -3.50 -0.33 0.00 -0.03 0.00 0.00 56.01 51.82 2rpr n LEU 50 Cb 0.68 -0.64 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 2rpr n LEU 50 CO 0.12 1.03 -0.37 0.61 -1.33 0.00 0.00 177.39 177.46 2rpr n GLY 51 N -0.88 -0.21 3.88 -0.72 0.00 -1.12 -4.88 105.19 101.26 2rpr n GLY 51 Ca 0.33 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 46.17 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 0.58 0.59 -2.50 0.00 0.00 -1.26 -4.02 116.66 110.04 2rpr n ARG 53 Ca -0.06 -2.22 -0.43 0.00 -0.00 0.00 0.00 57.85 55.14 2rpr n ARG 53 Cb 0.52 -0.73 -0.02 0.00 -0.00 0.00 0.00 32.46 32.23 2rpr n ARG 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rpr s SER 54 N -2.24 6.49 0.22 2.89 0.15 -1.25 -4.78 113.70 115.17 2rpr s SER 54 Ca 0.28 0.56 0.06 0.00 0.70 0.00 0.00 55.95 57.54 2rpr s SER 54 Cb 0.29 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.02 2rpr s SER 54 CO -0.08 -1.36 0.23 -0.13 1.20 0.00 0.00 173.24 173.10 2rpr s ARG 55 N 4.72 3.10 0.12 5.44 3.00 -1.26 -1.34 118.95 132.72 2rpr s ARG 55 Ca 0.53 -0.89 -0.11 0.00 0.00 0.00 0.00 55.73 55.25 2rpr s ARG 55 Cb -0.09 -2.70 0.01 0.00 0.00 0.00 0.00 34.95 32.16 2rpr s ARG 55 CO 0.32 0.44 0.28 0.00 0.00 0.00 0.00 175.30 176.33 2rpr s ALA 56 N -1.97 -0.38 -0.12 2.13 0.00 -0.33 -1.89 121.76 119.19 2rpr s ALA 56 Ca 0.33 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2rpr s ALA 56 Cb -0.09 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.69 2rpr s ALA 56 CO 0.26 -0.59 -0.11 0.42 0.00 0.00 0.00 175.76 175.74 2rpr s ILE 57 N -3.87 1.28 -0.04 0.00 1.01 0.93 0.43 121.20 120.94 2rpr s ILE 57 Ca 0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 2rpr s ILE 57 Cb 0.03 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2rpr s ILE 57 CO -0.08 0.41 0.11 0.42 0.00 0.00 0.00 174.94 175.79 2rpr s THR 58 N 1.45 5.03 -0.48 2.92 -4.23 0.19 -0.10 115.64 120.42 2rpr s THR 58 Ca 0.02 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 2rpr s THR 58 Cb -0.13 -3.27 0.15 0.00 1.34 0.00 0.00 72.50 70.58 2rpr s THR 58 CO -0.07 0.44 0.29 -1.58 -0.54 0.00 0.00 174.62 173.16 2rpr s GLN 59 N -1.52 1.44 0.45 3.99 0.74 -0.75 -0.96 119.66 123.04 2rpr s GLN 59 Ca 0.21 -2.25 0.00 0.00 0.05 0.00 0.00 55.36 53.37 2rpr s GLN 59 Cb -0.12 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.57 2rpr s GLN 59 CO 0.11 -1.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.06 2rpr n GLY 60 N 3.19 2.06 0.00 2.59 0.00 -1.26 -2.60 105.19 109.18 2rpr n GLY 60 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2rpr n GLY 60 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rpr n HIS 61 N 0.00 0.00 -3.96 1.61 8.25 -1.26 -4.78 115.22 115.08 2rpr n HIS 61 Ca 0.00 -0.29 -0.24 0.00 -0.26 0.00 0.00 57.72 56.93 2rpr n HIS 61 Cb 0.00 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 2rpr n HIS 61 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2rpr s ARG 62 N -0.59 2.32 -0.05 -0.41 1.81 -1.07 -3.57 118.95 117.39 2rpr s ARG 62 Ca 0.00 -1.77 -0.11 0.00 -1.72 0.00 0.00 55.73 52.13 2rpr s ARG 62 Cb 0.00 -2.10 0.02 0.00 -0.45 0.00 0.00 34.95 32.42 2rpr s ARG 62 CO 0.00 -0.17 0.27 -1.50 -0.68 0.00 0.00 175.30 173.23 2rpr s ILE 63 N -2.57 0.04 -0.04 1.52 2.07 -1.26 -1.81 121.20 119.14 2rpr s ILE 63 Ca 0.42 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 2rpr s ILE 63 Cb 0.01 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.12 2rpr s ILE 63 CO 0.24 -0.16 -0.08 -0.04 -1.91 0.00 0.00 174.94 172.99 2rpr s MET 64 N -0.67 0.98 -0.18 3.50 -1.94 0.86 -4.95 119.30 116.90 2rpr s MET 64 Ca -0.08 -0.25 -0.07 0.00 -1.71 0.00 0.00 55.69 53.59 2rpr s MET 64 Cb -0.04 -0.91 -0.04 0.00 2.01 0.00 0.00 34.83 35.84 2rpr s MET 64 CO 0.02 0.04 0.05 0.08 -0.01 0.00 0.00 175.02 175.20 2rpr s VAL 65 N 0.47 4.66 -0.10 -6.03 1.01 -1.26 -0.05 120.40 119.09 2rpr s VAL 65 Ca -0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 2rpr s VAL 65 Cb -0.11 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2rpr s VAL 65 CO 0.01 0.47 -0.22 0.23 0.00 0.00 0.00 175.10 175.58 2rpr n MET 66 N 3.52 0.33 -2.48 2.72 2.81 -0.80 -5.01 117.12 118.22 2rpr n MET 66 Ca -0.17 0.13 -0.23 0.00 -1.81 0.00 0.00 57.70 55.62 2rpr n MET 66 Cb 0.52 -1.07 0.08 0.00 -0.71 0.00 0.00 33.22 32.04 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 -2.29 2.08 0.39 0.03 1.81 -1.23 -4.98 118.95 114.75 2rpr s ARG 67 Ca -0.18 -0.74 0.08 0.00 -1.72 0.00 0.00 55.73 53.16 2rpr s ARG 67 Cb 0.03 -2.33 -0.02 0.00 -0.45 0.00 0.00 34.95 32.18 2rpr s ARG 67 CO 0.27 -1.17 0.35 -1.12 -0.68 0.00 0.00 175.30 172.96 2rpr s SER 68 N -4.57 5.17 -0.17 0.23 0.01 -1.26 -4.58 113.70 108.53 2rpr s SER 68 Ca 0.62 -0.63 -0.06 0.00 1.31 0.00 0.00 55.95 57.19 2rpr s SER 68 Cb -0.08 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 2rpr s SER 68 CO 0.43 -0.54 0.03 -1.00 0.41 0.00 0.00 173.24 172.57 2rpr s HIS 69 N -2.40 3.20 -1.75 2.43 0.09 -1.26 -3.92 115.29 111.68 2rpr s HIS 69 Ca 0.46 0.00 0.09 0.00 -0.00 0.00 0.00 55.06 55.61 2rpr s HIS 69 Cb -0.05 -2.02 0.29 0.00 -0.00 0.00 0.00 32.58 30.81 2rpr s HIS 69 CO 0.28 0.15 1.20 0.00 -0.00 0.00 0.00 174.74 176.36 2rpr s HIS 71 N -1.61 0.80 0.15 0.00 -3.43 -1.26 -5.10 115.29 104.83 2rpr s HIS 71 Ca 0.22 -1.01 -0.02 0.00 -0.80 0.00 0.00 55.06 53.45 2rpr s HIS 71 Cb 0.12 -0.49 -0.05 0.00 -1.43 0.00 0.00 32.58 30.74 2rpr s HIS 71 CO 0.13 -0.27 0.34 1.14 -2.00 0.00 0.00 174.74 174.08 2rpr s GLN 72 N -3.89 3.53 0.64 -0.38 -2.07 -1.26 -5.09 119.66 111.14 2rpr s GLN 72 Ca 0.13 -0.29 -0.16 0.00 -1.82 0.00 0.00 55.36 53.22 2rpr s GLN 72 Cb 0.06 -2.89 -0.01 0.00 -1.09 0.00 0.00 33.01 29.08 2rpr s GLN 72 CO -0.05 0.48 1.11 -1.25 -1.32 0.00 0.00 175.29 174.26 2rpr s PRO 73 N -2.90 2.90 -0.54 9.60 0.04 -1.26 -5.03 135.00 137.81 2rpr s PRO 73 Ca 0.38 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2rpr s PRO 73 Cb -0.12 -1.96 0.17 0.00 0.04 0.00 0.00 34.50 32.63 2rpr s PRO 73 CO 0.27 -1.18 0.42 -0.25 0.04 0.00 0.00 177.00 176.30 2rpr n ASP 74 N -2.21 1.06 0.04 6.66 9.92 -1.26 -4.95 116.55 125.81 2rpr n ASP 74 Ca 0.11 -2.75 0.18 0.00 -0.53 0.00 0.00 54.79 51.80 2rpr n ASP 74 Cb 0.52 -0.64 0.44 0.00 -0.64 0.00 0.00 41.12 40.80 2rpr n ASP 74 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2rpr h LEU 75 N 5.47 0.00 -0.11 0.64 3.38 -1.96 0.56 115.31 123.29 2rpr h LEU 75 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2rpr h LEU 75 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2rpr h LEU 75 CO 0.52 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 179.01 2rpr h ALA 76 N 0.69 0.15 -0.12 1.53 0.00 -1.98 -0.35 119.26 119.18 2rpr h ALA 76 Ca 0.26 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2rpr h ALA 76 Cb 2.08 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 2rpr h ALA 76 CO -0.00 -0.09 -0.66 0.78 0.00 0.00 0.00 179.25 179.28 2rpr h GLY 77 N -0.12 0.52 1.54 0.00 0.00 -0.32 -2.40 103.07 102.29 2rpr h GLY 77 Ca 0.03 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.53 2rpr h GLY 77 CO 0.01 0.60 -0.53 -2.00 0.00 0.00 0.00 176.54 174.62 2rpr h LEU 78 N 0.34 0.53 -0.67 3.11 5.85 -1.41 -2.95 115.31 120.10 2rpr h LEU 78 Ca -0.02 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.35 2rpr h LEU 78 Cb 1.22 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2rpr h LEU 78 CO 0.12 0.96 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.48 2rpr h GLU 79 N 0.37 0.00 -0.05 1.25 5.08 -1.03 -2.57 114.58 117.63 2rpr h GLU 79 Ca 0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2rpr h GLU 79 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2rpr h GLU 79 CO 0.10 0.37 -0.43 0.00 -1.00 0.00 0.00 179.01 178.05 2rpr h ALA 80 N 1.63 1.20 0.04 3.43 0.00 -1.25 -0.03 119.26 124.27 2rpr h ALA 80 Ca -0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 2rpr h ALA 80 Cb 1.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2rpr h ALA 80 CO 0.05 0.57 -1.52 -0.07 0.00 0.00 0.00 179.25 178.28 2rpr h LEU 81 N 0.09 0.12 -0.17 0.00 3.38 -1.49 -3.31 115.31 113.93 2rpr h LEU 81 Ca 0.01 -0.19 -0.23 0.00 0.09 0.00 0.00 57.88 57.55 2rpr h LEU 81 Cb 0.80 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.52 2rpr h LEU 81 CO 0.06 1.17 -0.88 0.03 0.09 0.00 0.00 178.44 178.90 2rpr h ARG 82 N 0.02 0.61 -0.79 1.13 3.08 -1.36 -3.21 114.38 113.86 2rpr h ARG 82 Ca -0.22 -0.57 0.04 0.00 0.07 0.00 0.00 59.98 59.30 2rpr h ARG 82 Cb 1.96 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 32.10 2rpr h ARG 82 CO 0.11 1.19 0.50 -0.56 -1.07 0.00 0.00 179.97 180.14 2rpr h GLN 83 N 0.38 0.93 0.00 0.04 3.07 -1.14 0.35 115.11 118.74 2rpr h GLN 83 Ca -0.08 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.61 2rpr h GLN 83 Cb 1.51 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 28.86 2rpr h GLN 83 CO 0.17 0.61 0.00 0.07 0.09 0.00 0.00 178.83 179.77 2rpr h ARG 84 N 0.96 0.00 0.00 0.06 0.11 -1.64 -3.34 114.38 110.52 2rpr h ARG 84 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 2rpr h ARG 84 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2rpr h ARG 84 CO -0.13 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.33 2rpr n GLU 85 N -2.52 0.00 -3.13 0.08 -0.58 0.02 -4.96 120.64 109.55 2rpr n GLU 85 Ca 0.01 0.04 -0.39 0.00 -0.42 0.00 0.00 57.16 56.39 2rpr n GLU 85 Cb 0.20 -0.44 -0.05 0.00 -0.57 0.00 0.00 31.44 30.59 2rpr n GLU 85 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2rpr s ARG 86 N -0.77 4.41 0.00 3.49 1.81 0.10 -5.11 118.95 122.88 2rpr s ARG 86 Ca 0.00 0.75 0.12 0.00 -1.72 0.00 0.00 55.73 54.89 2rpr s ARG 86 Cb 0.00 -3.44 0.74 0.00 -0.45 0.00 0.00 34.95 31.80 2rpr s ARG 86 CO 0.00 0.09 1.17 -0.11 -0.68 0.00 0.00 175.30 175.78