#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 3.62 -0.01 1.61 1.04 -1.26 -4.95 113.70 113.75 2rpr s SER 2 Ca 0.00 -0.93 0.14 0.00 0.48 0.00 0.00 55.95 55.63 2rpr s SER 2 Cb 0.00 -1.49 -0.19 0.00 0.10 0.00 0.00 66.02 64.44 2rpr s SER 2 CO 0.00 -0.08 0.40 -0.24 0.98 0.00 0.00 173.24 174.31 2rpr n SER 3 N 4.56 1.39 0.00 7.02 2.88 -1.26 -5.10 113.62 123.10 2rpr n SER 3 Ca -0.18 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 2rpr n SER 3 Cb 0.47 1.38 0.00 0.00 -0.75 0.00 0.00 64.21 65.31 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 1.57 0.04 3.26 0.46 0.00 -1.26 -5.10 105.19 104.16 2rpr n GLY 4 Ca -0.01 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 2rpr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rpr s SER 5 N -4.00 3.84 0.32 1.61 0.15 -1.26 -5.11 113.70 109.25 2rpr s SER 5 Ca 0.00 -0.46 0.08 0.00 0.70 0.00 0.00 55.95 56.27 2rpr s SER 5 Cb 0.00 -1.62 -0.06 0.00 -1.71 0.00 0.00 66.02 62.63 2rpr s SER 5 CO 0.00 0.03 -0.08 -0.55 1.20 0.00 0.00 173.24 173.84 2rpr s SER 6 N 1.14 3.38 0.55 5.45 0.15 -1.26 -5.03 113.70 118.08 2rpr s SER 6 Ca 0.01 -1.19 0.33 0.00 0.70 0.00 0.00 55.95 55.80 2rpr s SER 6 Cb -0.14 -0.28 1.44 0.00 -1.71 0.00 0.00 66.02 65.33 2rpr s SER 6 CO -0.04 -0.25 2.02 1.23 1.20 0.00 0.00 173.24 177.40 2rpr h GLY 7 N 2.12 0.00 -7.25 9.45 0.00 -2.07 -3.39 103.07 101.92 2rpr h GLY 7 Ca -0.41 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.58 2rpr h GLY 7 CO 0.69 0.00 0.88 -2.27 0.00 0.00 0.00 176.54 175.84 2rpr s LEU 8 N -6.38 3.20 0.29 3.11 2.96 -1.26 -4.95 118.68 115.66 2rpr s LEU 8 Ca -0.00 -0.91 -0.25 0.00 -0.22 0.00 0.00 54.13 52.75 2rpr s LEU 8 Cb 0.10 -2.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.13 2rpr s LEU 8 CO 0.55 -2.61 0.89 -0.13 -1.32 0.00 0.00 176.35 173.73 2rpr s ARG 9 N 6.66 4.53 1.23 1.98 0.52 -1.26 -5.01 118.95 127.60 2rpr s ARG 9 Ca 0.67 1.24 -0.20 0.00 -0.52 0.00 0.00 55.73 56.91 2rpr s ARG 9 Cb -0.05 -2.86 0.30 0.00 0.52 0.00 0.00 34.95 32.86 2rpr s ARG 9 CO -0.00 0.33 1.11 -1.25 0.02 0.00 0.00 175.30 175.50 2rpr s PRO 10 N -1.96 -1.44 0.02 3.54 0.04 -1.25 -4.08 135.00 129.86 2rpr s PRO 10 Ca 0.48 -0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.37 2rpr s PRO 10 Cb -0.19 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2rpr s PRO 10 CO 0.24 -3.84 -0.00 -1.17 0.04 0.00 0.00 177.00 172.27 2rpr s LEU 11 N -7.00 2.12 0.11 -3.56 2.96 -1.22 -4.85 118.68 107.24 2rpr s LEU 11 Ca 0.72 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 2rpr s LEU 11 Cb -0.08 0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.77 2rpr s LEU 11 CO 0.56 -0.31 0.05 -0.70 -1.32 0.00 0.00 176.35 174.63 2rpr s GLU 12 N -1.45 2.71 0.27 1.98 2.56 -1.24 -5.07 118.70 118.46 2rpr s GLU 12 Ca -0.16 -0.83 0.02 0.00 0.00 0.00 0.00 54.97 54.00 2rpr s GLU 12 Cb -0.10 -2.60 -0.04 0.00 2.00 0.00 0.00 34.13 33.40 2rpr s GLU 12 CO -0.01 0.53 0.15 -0.06 -0.56 0.00 0.00 175.26 175.31 2rpr s PHE 13 N -1.48 1.48 0.29 5.30 0.40 -1.26 -1.64 117.98 121.06 2rpr s PHE 13 Ca 0.28 -1.37 -0.06 0.00 -0.60 0.00 0.00 56.93 55.18 2rpr s PHE 13 Cb -0.11 -0.76 -0.01 0.00 0.51 0.00 0.00 43.02 42.65 2rpr s PHE 13 CO 0.21 -0.56 0.41 -0.51 0.70 0.00 0.00 175.22 175.47 2rpr s LEU 14 N -3.30 0.81 0.09 -0.37 1.43 0.10 -4.78 118.68 112.65 2rpr s LEU 14 Ca 0.38 -1.28 0.07 0.00 -1.03 0.00 0.00 54.13 52.26 2rpr s LEU 14 Cb 0.06 1.37 -0.03 0.00 0.03 0.00 0.00 46.19 47.61 2rpr s LEU 14 CO 0.16 -1.16 -0.18 0.00 0.23 0.00 0.00 176.35 175.41 2rpr s ARG 15 N -3.58 0.98 0.45 1.70 1.70 -1.26 -0.25 118.95 118.69 2rpr s ARG 15 Ca 0.29 -1.07 0.07 0.00 -0.47 0.00 0.00 55.73 54.56 2rpr s ARG 15 Cb 0.01 -1.12 -0.01 0.00 -0.57 0.00 0.00 34.95 33.26 2rpr s ARG 15 CO 0.15 0.25 0.38 0.95 -1.08 0.00 0.00 175.30 175.96 2rpr s THR 16 N -1.23 2.39 -0.03 4.99 -4.23 0.31 -4.77 115.64 113.07 2rpr s THR 16 Ca 0.02 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2rpr s THR 16 Cb -0.10 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 2rpr s THR 16 CO 0.03 0.00 0.29 0.28 -0.54 0.00 0.00 174.62 174.68 2rpr h SER 17 N 0.97 -0.11 -0.05 3.99 0.02 -2.02 -3.35 113.55 112.99 2rpr h SER 17 Ca -0.40 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.96 2rpr h SER 17 Cb 1.27 0.03 0.06 0.00 0.14 0.00 0.00 62.40 63.90 2rpr h SER 17 CO 0.58 0.08 1.96 0.18 -1.14 0.00 0.00 176.83 178.49 2rpr n LEU 18 N -3.23 3.35 -2.71 5.07 7.99 -1.26 -4.53 117.00 121.67 2rpr n LEU 18 Ca -0.02 -2.64 -0.18 0.00 -0.01 0.00 0.00 56.01 53.16 2rpr n LEU 18 Cb 0.05 -1.07 0.02 0.00 -0.11 0.00 0.00 43.42 42.31 2rpr n LEU 18 CO 0.04 -0.88 -0.27 0.61 -1.51 0.00 0.00 177.39 175.38 2rpr n GLY 19 N 4.77 0.09 3.81 -0.72 0.00 -1.26 -4.97 105.19 106.91 2rpr n GLY 19 Ca 0.49 0.52 -0.08 0.00 0.00 0.00 0.00 46.02 46.95 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 -0.94 0.06 -0.03 -0.02 0.00 -1.26 -4.99 107.32 100.15 2rpr s GLY 20 Ca 0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 2rpr s GLY 20 CO 0.39 -0.19 0.06 -1.60 0.00 0.00 0.00 173.10 171.75 2rpr s ARG 21 N -3.77 0.03 0.23 2.90 6.06 -1.26 -0.53 118.95 122.61 2rpr s ARG 21 Ca 0.13 0.15 0.07 0.00 -2.50 0.00 0.00 55.73 53.58 2rpr s ARG 21 Cb -0.05 -0.08 -0.04 0.00 0.06 0.00 0.00 34.95 34.84 2rpr s ARG 21 CO 0.08 -0.08 0.14 -0.06 -2.50 0.00 0.00 175.30 172.88 2rpr s PHE 22 N 0.50 3.03 -0.19 5.12 0.08 0.65 -4.37 117.98 122.80 2rpr s PHE 22 Ca -0.04 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 56.90 2rpr s PHE 22 Cb -0.06 -1.38 0.04 0.00 -0.57 0.00 0.00 43.02 41.05 2rpr s PHE 22 CO -0.02 0.54 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.36 2rpr s LEU 23 N -3.61 2.16 -0.34 -0.37 2.96 -0.56 0.01 118.68 118.93 2rpr s LEU 23 Ca 0.32 -0.80 -0.21 0.00 -0.22 0.00 0.00 54.13 53.22 2rpr s LEU 23 Cb -0.08 -1.24 -0.00 0.00 0.50 0.00 0.00 46.19 45.37 2rpr s LEU 23 CO 0.23 -0.12 0.65 -0.69 -1.32 0.00 0.00 176.35 175.10 2rpr s VAL 24 N 1.41 4.89 -0.19 1.68 1.01 -0.65 -1.29 120.40 127.26 2rpr s VAL 24 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 2rpr s VAL 24 Cb -0.15 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.22 2rpr s VAL 24 CO -0.09 -0.27 0.48 -2.28 0.00 0.00 0.00 175.10 172.94 2rpr s HIS 25 N 2.71 -0.66 -1.66 5.22 5.04 -1.00 -3.64 115.29 121.30 2rpr s HIS 25 Ca 0.25 1.43 -0.03 0.00 -1.54 0.00 0.00 55.06 55.18 2rpr s HIS 25 Cb -0.14 0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.78 2rpr s HIS 25 CO 0.14 -0.35 0.38 0.39 -2.34 0.00 0.00 174.74 172.96 2rpr n GLU 26 N 3.87 -3.68 -2.23 2.88 -0.58 -1.26 -1.22 120.64 118.43 2rpr n GLU 26 Ca -0.20 0.96 -0.15 0.00 -0.42 0.00 0.00 57.16 57.35 2rpr n GLU 26 Cb 0.56 -5.75 -0.01 0.00 -0.57 0.00 0.00 31.44 25.67 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 -2.33 -4.63 -2.64 1.62 7.64 -1.26 -4.86 113.62 107.15 2rpr n SER 27 Ca -0.17 0.02 -0.12 0.00 1.01 0.00 0.00 58.87 59.60 2rpr n SER 27 Cb 0.65 -3.74 -0.04 0.00 -1.01 0.00 0.00 64.21 60.07 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 -3.90 0.06 -3.88 1.43 3.72 -0.36 -3.94 117.46 110.59 2rpr n PHE 28 Ca -0.18 -1.29 -0.15 0.00 -0.05 0.00 0.00 57.45 55.78 2rpr n PHE 28 Cb 0.63 -0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.01 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 1.36 0.31 4.37 1.43 -1.25 -2.38 118.68 122.51 2rpr s LEU 29 Ca 0.10 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2rpr s LEU 29 Cb 0.01 -0.13 -0.06 0.00 0.03 0.00 0.00 46.19 46.04 2rpr s LEU 29 CO 0.07 -0.08 -0.01 -0.31 0.23 0.00 0.00 176.35 176.25 2rpr s TYR 30 N 0.75 2.01 -0.10 0.29 1.51 -0.41 -2.00 117.35 119.40 2rpr s TYR 30 Ca -0.07 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.23 2rpr s TYR 30 Cb -0.10 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.54 2rpr s TYR 30 CO -0.02 0.21 -0.14 1.03 -1.11 0.00 0.00 175.55 175.52 2rpr s ARG 31 N -3.78 2.06 -0.49 -0.62 0.52 0.81 -1.50 118.95 115.95 2rpr s ARG 31 Ca 0.32 -0.51 -0.38 0.00 -0.52 0.00 0.00 55.73 54.64 2rpr s ARG 31 Cb 0.06 -1.75 -0.16 0.00 0.52 0.00 0.00 34.95 33.62 2rpr s ARG 31 CO 0.14 -0.04 2.23 1.17 0.02 0.00 0.00 175.30 178.81 2rpr n LYS 32 N 4.13 0.47 -0.07 3.54 4.81 -1.26 -1.69 118.16 128.09 2rpr n LYS 32 Ca -0.20 0.12 -0.11 0.00 -0.87 0.00 0.00 58.31 57.25 2rpr n LYS 32 Cb 0.51 -1.96 -0.08 0.00 0.02 0.00 0.00 35.03 33.52 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 11.08 0.00 -3.08 1.64 4.81 -1.49 -3.47 114.58 124.07 2rpr h GLU 33 Ca -0.17 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 2rpr h GLU 33 Cb 1.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 2rpr h GLU 33 CO 1.10 0.66 0.24 -1.59 -0.73 0.00 0.00 179.01 178.69 2rpr s LYS 34 N -2.09 2.22 -0.06 1.92 0.00 -1.25 -5.00 119.74 115.48 2rpr s LYS 34 Ca -0.16 -1.46 0.02 0.00 0.00 0.00 0.00 55.97 54.36 2rpr s LYS 34 Cb -0.00 0.61 0.02 0.00 0.00 0.00 0.00 37.83 38.46 2rpr s LYS 34 CO 0.46 -1.03 -0.09 0.00 0.00 0.00 0.00 175.35 174.68 2rpr s ALA 35 N -2.36 1.09 -0.62 0.59 0.00 -1.26 0.13 121.76 119.34 2rpr s ALA 35 Ca 0.16 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.88 2rpr s ALA 35 Cb -0.05 -0.57 0.43 0.00 0.00 0.00 0.00 23.12 22.94 2rpr s ALA 35 CO 0.12 0.01 1.16 0.00 0.00 0.00 0.00 175.76 177.05 2rpr n ALA 36 N 4.03 3.23 0.00 0.00 0.00 -0.56 -4.90 120.51 122.29 2rpr n ALA 36 Ca -0.22 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.22 2rpr n ALA 36 Cb 0.51 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.33 2.26 0.00 0.00 0.00 -1.26 -4.38 105.19 102.15 2rpr n GLY 37 Ca 0.15 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 0.72 -4.57 1.61 4.07 -1.26 -5.04 120.64 116.17 2rpr n GLU 38 Ca 0.00 -0.08 -0.26 0.00 -0.06 0.00 0.00 57.16 56.76 2rpr n GLU 38 Cb 0.00 -1.19 -0.11 0.00 -0.06 0.00 0.00 31.44 30.08 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 -2.57 1.87 -0.10 5.31 1.02 -1.26 -4.75 119.74 119.27 2rpr s LYS 39 Ca -0.03 -2.06 -0.01 0.00 0.02 0.00 0.00 55.97 53.89 2rpr s LYS 39 Cb 0.06 -1.34 0.03 0.00 -0.52 0.00 0.00 37.83 36.06 2rpr s LYS 39 CO 0.39 -0.12 -0.02 0.08 -0.92 0.00 0.00 175.35 174.76 2rpr s VAL 40 N -2.93 0.60 0.48 3.17 1.01 -0.84 -1.50 120.40 120.38 2rpr s VAL 40 Ca 0.34 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 2rpr s VAL 40 Cb 0.09 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 2rpr s VAL 40 CO 0.16 0.25 1.02 -0.31 0.00 0.00 0.00 175.10 176.23 2rpr s TYR 41 N 1.88 3.05 -0.07 5.22 1.51 0.12 -0.98 117.35 128.08 2rpr s TYR 41 Ca 0.04 1.58 -0.03 0.00 -1.01 0.00 0.00 57.07 57.65 2rpr s TYR 41 Cb -0.13 -3.03 0.04 0.00 -0.11 0.00 0.00 41.96 38.74 2rpr s TYR 41 CO -0.06 -0.72 0.14 -1.58 -1.11 0.00 0.00 175.55 172.21 2rpr s TRP 42 N -2.04 -0.14 -0.12 2.71 0.52 0.35 -1.17 118.94 119.04 2rpr s TRP 42 Ca 0.66 0.54 -0.04 0.00 0.02 0.00 0.00 56.10 57.28 2rpr s TRP 42 Cb -0.15 -0.26 -0.03 0.00 -1.15 0.00 0.00 33.47 31.88 2rpr s TRP 42 CO 0.20 -0.24 0.01 0.00 0.02 0.00 0.00 176.95 176.94 2rpr s MET 43 N 2.06 3.34 -0.30 4.98 0.23 -0.68 0.53 119.30 129.46 2rpr s MET 43 Ca 0.01 -0.40 -0.37 0.00 -1.03 0.00 0.00 55.69 53.90 2rpr s MET 43 Cb -0.12 -2.92 -0.13 0.00 -1.53 0.00 0.00 34.83 30.13 2rpr s MET 43 CO -0.05 0.53 2.04 0.00 -2.03 0.00 0.00 175.02 175.51 2rpr h ARG 45 N 10.56 0.16 -2.01 0.00 0.11 -1.69 0.53 114.38 122.04 2rpr h ARG 45 Ca -0.34 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.65 2rpr h ARG 45 Cb 1.32 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 32.33 2rpr h ARG 45 CO 1.00 0.11 -0.16 -0.25 0.10 0.00 0.00 179.97 180.76 2rpr n ASP 46 N -4.58 5.22 0.04 0.08 8.00 -1.26 -4.05 116.55 120.00 2rpr n ASP 46 Ca 0.33 -2.42 -0.01 0.00 0.71 0.00 0.00 54.79 53.40 2rpr n ASP 46 Cb 1.28 -1.24 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 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 1.91 0.00 0.00 -1.24 3.07 -0.93 0.22 115.11 118.14 2rpr h GLN 47 Ca 0.08 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.47 2rpr h GLN 47 Cb 1.21 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.70 2rpr h GLN 47 CO 0.10 0.35 -2.24 0.00 0.09 0.00 0.00 178.83 177.12 2rpr n ALA 48 N -2.39 1.49 -0.05 0.06 0.00 -1.26 -3.42 120.51 114.93 2rpr n ALA 48 Ca -0.09 -1.19 -0.03 0.00 0.00 0.00 0.00 53.44 52.13 2rpr n ALA 48 Cb 0.85 -0.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 2rpr n ALA 48 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2rpr h ARG 49 N 0.00 0.00 -0.79 0.00 2.43 -1.83 -3.38 114.38 110.81 2rpr h ARG 49 Ca -0.49 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2rpr h ARG 49 Cb 2.18 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.72 2rpr h ARG 49 CO 0.03 0.00 0.01 1.28 -1.51 0.00 0.00 179.97 179.79 2rpr n LEU 50 N -4.07 3.53 -3.46 3.80 4.77 -1.03 -4.89 117.00 115.65 2rpr n LEU 50 Ca -0.05 -1.79 -0.25 0.00 -0.03 0.00 0.00 56.01 53.89 2rpr n LEU 50 Cb 0.18 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 2rpr n LEU 50 CO 0.07 0.46 -0.09 0.61 -1.33 0.00 0.00 177.39 177.11 2rpr n GLY 51 N 0.31 -0.36 3.63 -0.72 0.00 -1.07 -4.83 105.19 102.15 2rpr n GLY 51 Ca 0.15 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 5.60 3.40 -1.65 0.00 5.12 -1.26 -3.54 116.66 124.32 2rpr n ARG 53 Ca -0.00 -2.69 -0.42 0.00 -1.93 0.00 0.00 57.85 52.80 2rpr n ARG 53 Cb 0.49 -1.80 -0.03 0.00 -1.16 0.00 0.00 32.46 29.96 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 -0.90 5.33 0.33 0.55 0.15 -1.25 -4.73 113.70 113.18 2rpr s SER 54 Ca 0.49 1.66 0.08 0.00 0.70 0.00 0.00 55.95 58.87 2rpr s SER 54 Cb 0.30 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 2rpr s SER 54 CO 0.26 -2.10 0.14 -0.60 1.20 0.00 0.00 173.24 172.14 2rpr s ARG 55 N 6.60 2.41 0.14 5.44 3.52 -1.26 -0.57 118.95 135.25 2rpr s ARG 55 Ca 0.97 -1.49 -0.20 0.00 -0.13 0.00 0.00 55.73 54.88 2rpr s ARG 55 Cb -0.29 -2.21 0.05 0.00 -1.56 0.00 0.00 34.95 30.94 2rpr s ARG 55 CO 0.33 0.15 0.51 0.00 -0.81 0.00 0.00 175.30 175.48 2rpr s ALA 56 N -2.39 -1.31 -0.09 6.12 0.00 0.19 -1.62 121.76 122.65 2rpr s ALA 56 Ca 0.37 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.62 2rpr s ALA 56 Cb -0.03 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.89 2rpr s ALA 56 CO 0.23 -0.71 -0.18 0.42 0.00 0.00 0.00 175.76 175.52 2rpr s ILE 57 N -3.76 1.64 -0.04 0.00 1.01 0.56 0.13 121.20 120.74 2rpr s ILE 57 Ca 0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 2rpr s ILE 57 Cb 0.00 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2rpr s ILE 57 CO -0.12 0.47 0.14 0.42 0.00 0.00 0.00 174.94 175.84 2rpr s THR 58 N 0.63 5.24 -0.18 2.92 -4.23 -0.15 0.39 115.64 120.28 2rpr s THR 58 Ca -0.14 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.20 2rpr s THR 58 Cb -0.16 -3.39 0.07 0.00 1.34 0.00 0.00 72.50 70.36 2rpr s THR 58 CO 0.04 0.42 0.15 -1.58 -0.54 0.00 0.00 174.62 173.11 2rpr s GLN 59 N -1.62 0.11 2.95 3.99 -0.44 -0.84 -1.99 119.66 121.82 2rpr s GLN 59 Ca 0.23 0.11 0.00 0.00 -2.50 0.00 0.00 55.36 53.19 2rpr s GLN 59 Cb -0.12 -1.40 0.00 0.00 -1.64 0.00 0.00 33.01 29.84 2rpr s GLN 59 CO 0.13 -0.63 0.00 0.41 0.50 0.00 0.00 175.29 175.71 2rpr n GLY 60 N 5.30 1.08 0.00 2.59 0.00 -1.26 -1.58 105.19 111.32 2rpr n GLY 60 Ca -0.06 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.11 1.61 -0.00 -1.26 -5.02 115.22 106.44 2rpr n HIS 61 Ca 0.00 -0.21 -0.28 0.00 0.46 0.00 0.00 57.72 57.69 2rpr n HIS 61 Cb 0.00 -0.02 -0.02 0.00 -0.12 0.00 0.00 29.99 29.83 2rpr n HIS 61 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2rpr s ARG 62 N -0.41 2.24 0.06 1.57 1.81 -0.62 -3.37 118.95 120.23 2rpr s ARG 62 Ca 0.00 -2.13 -0.08 0.00 -1.72 0.00 0.00 55.73 51.80 2rpr s ARG 62 Cb 0.00 -1.95 -0.01 0.00 -0.45 0.00 0.00 34.95 32.54 2rpr s ARG 62 CO 0.00 -0.57 0.16 -1.50 -0.68 0.00 0.00 175.30 172.71 2rpr s ILE 63 N -2.81 0.14 -0.00 1.52 2.07 -1.26 -1.98 121.20 118.88 2rpr s ILE 63 Ca 0.26 -1.15 0.02 0.00 -1.41 0.00 0.00 60.65 58.37 2rpr s ILE 63 Cb -0.01 -1.18 -0.01 0.00 0.13 0.00 0.00 42.46 41.39 2rpr s ILE 63 CO 0.16 -0.64 -0.06 -0.32 -1.91 0.00 0.00 174.94 172.17 2rpr s MET 64 N -3.34 0.50 -0.03 3.50 -2.45 0.16 -4.96 119.30 112.67 2rpr s MET 64 Ca 0.01 -0.26 -0.00 0.00 -1.25 0.00 0.00 55.69 54.19 2rpr s MET 64 Cb 0.03 -0.47 -0.04 0.00 1.25 0.00 0.00 34.83 35.60 2rpr s MET 64 CO -0.08 0.13 0.03 0.08 1.05 0.00 0.00 175.02 176.22 2rpr s VAL 65 N -0.22 4.40 0.02 10.11 1.01 -1.26 -0.33 120.40 134.14 2rpr s VAL 65 Ca 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2rpr s VAL 65 Cb -0.03 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 2rpr s VAL 65 CO -0.00 0.45 -0.04 0.23 0.00 0.00 0.00 175.10 175.74 2rpr n MET 66 N 1.60 0.06 -4.41 2.72 2.81 -0.64 -4.96 117.12 114.29 2rpr n MET 66 Ca -0.16 0.02 -0.32 0.00 -1.81 0.00 0.00 57.70 55.44 2rpr n MET 66 Cb 0.53 -0.60 -0.10 0.00 -0.71 0.00 0.00 33.22 32.34 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 -2.07 2.54 0.87 0.03 1.81 -1.20 -4.95 118.95 115.98 2rpr s ARG 67 Ca -0.03 -0.74 -0.12 0.00 -1.72 0.00 0.00 55.73 53.11 2rpr s ARG 67 Cb 0.01 -2.50 0.12 0.00 -0.45 0.00 0.00 34.95 32.12 2rpr s ARG 67 CO 0.05 0.59 1.13 -1.54 -0.68 0.00 0.00 175.30 174.85 2rpr s SER 68 N -1.52 3.83 -0.16 0.23 1.04 -1.26 -4.00 113.70 111.86 2rpr s SER 68 Ca 0.18 1.03 -0.06 0.00 0.48 0.00 0.00 55.95 57.58 2rpr s SER 68 Cb -0.11 -1.64 -0.04 0.00 0.10 0.00 0.00 66.02 64.33 2rpr s SER 68 CO 0.09 -2.36 0.05 -1.00 0.98 0.00 0.00 173.24 171.00 2rpr s HIS 69 N -3.27 3.25 -1.76 5.02 0.09 -1.26 -3.87 115.29 113.48 2rpr s HIS 69 Ca 0.63 0.10 0.07 0.00 -0.00 0.00 0.00 55.06 55.85 2rpr s HIS 69 Cb -0.14 -2.00 0.22 0.00 -0.00 0.00 0.00 32.58 30.65 2rpr s HIS 69 CO 0.53 0.25 1.12 0.00 -0.00 0.00 0.00 174.74 176.64 2rpr s HIS 71 N -1.66 0.38 0.30 0.00 -3.43 -1.26 -5.10 115.29 104.51 2rpr s HIS 71 Ca 0.16 -0.78 -0.09 0.00 -0.80 0.00 0.00 55.06 53.54 2rpr s HIS 71 Cb 0.09 -0.28 -0.07 0.00 -1.43 0.00 0.00 32.58 30.89 2rpr s HIS 71 CO 0.09 -0.29 0.62 -0.65 -2.00 0.00 0.00 174.74 172.52 2rpr s GLN 72 N -2.68 3.78 0.76 -0.38 -0.21 -1.26 -5.07 119.66 114.60 2rpr s GLN 72 Ca -0.05 0.30 -0.11 0.00 0.02 0.00 0.00 55.36 55.52 2rpr s GLN 72 Cb -0.01 -2.56 0.05 0.00 1.00 0.00 0.00 33.01 31.49 2rpr s GLN 72 CO -0.05 0.19 1.09 -1.25 -2.12 0.00 0.00 175.29 173.15 2rpr s PRO 73 N -3.27 2.30 -0.38 2.91 0.04 -1.26 -5.04 135.00 130.28 2rpr s PRO 73 Ca 0.48 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.73 2rpr s PRO 73 Cb -0.11 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.69 2rpr s PRO 73 CO 0.25 -1.62 0.27 -0.51 0.04 0.00 0.00 177.00 175.44 2rpr s ASP 74 N -3.32 2.34 0.54 6.66 1.01 -1.25 -4.96 116.67 117.68 2rpr s ASP 74 Ca 0.62 -2.59 0.23 0.00 0.71 0.00 0.00 52.55 51.52 2rpr s ASP 74 Cb -0.17 -0.44 1.24 0.00 1.01 0.00 0.00 42.92 44.55 2rpr s ASP 74 CO 0.55 -0.25 1.66 -0.07 0.21 0.00 0.00 175.17 177.27 2rpr h LEU 75 N 6.41 0.00 0.07 1.23 3.38 -1.97 -0.44 115.31 124.00 2rpr h LEU 75 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2rpr h LEU 75 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2rpr h LEU 75 CO 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.81 2rpr h ALA 76 N 1.23 -0.10 -0.16 1.53 0.00 -1.99 -2.01 119.26 117.77 2rpr h ALA 76 Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2rpr h ALA 76 Cb 0.70 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2rpr h ALA 76 CO 0.00 -0.22 -0.53 0.78 0.00 0.00 0.00 179.25 179.28 2rpr h GLY 77 N -0.78 0.49 1.01 0.00 0.00 -1.55 -2.66 103.07 99.58 2rpr h GLY 77 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 2rpr h GLY 77 CO 0.02 0.50 -0.20 -2.00 0.00 0.00 0.00 176.54 174.86 2rpr h LEU 78 N 0.35 0.82 -0.72 3.11 5.85 -1.37 -3.11 115.31 120.24 2rpr h LEU 78 Ca 0.01 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 2rpr h LEU 78 Cb 1.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2rpr h LEU 78 CO 0.09 1.06 0.26 -0.33 -0.34 0.00 0.00 178.44 179.18 2rpr h GLU 79 N 0.59 1.09 -0.34 1.25 5.08 -1.35 -2.20 114.58 118.70 2rpr h GLU 79 Ca 0.08 -0.21 0.10 0.00 -1.00 0.00 0.00 59.36 58.32 2rpr h GLU 79 Cb 0.76 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2rpr h GLU 79 CO 0.06 0.92 0.28 0.00 -1.00 0.00 0.00 179.01 179.26 2rpr h ALA 80 N 1.13 2.20 0.00 3.43 0.00 -1.41 0.36 119.26 124.97 2rpr h ALA 80 Ca 0.24 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 2rpr h ALA 80 Cb 0.25 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2rpr h ALA 80 CO -0.01 -0.45 -1.08 -0.07 0.00 0.00 0.00 179.25 177.63 2rpr h LEU 81 N 0.00 0.00 0.04 0.00 3.38 -1.37 -3.31 115.31 114.05 2rpr h LEU 81 Ca 0.16 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.88 2rpr h LEU 81 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2rpr h LEU 81 CO -0.00 0.97 -1.24 0.03 0.09 0.00 0.00 178.44 178.29 2rpr h ARG 82 N 0.00 0.08 -0.48 1.13 3.08 -0.60 -3.30 114.38 114.28 2rpr h ARG 82 Ca -0.05 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 59.89 2rpr h ARG 82 Cb 1.78 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.85 2rpr h ARG 82 CO 0.12 0.96 0.32 -0.56 -1.07 0.00 0.00 179.97 179.74 2rpr h GLN 83 N 0.02 0.54 0.00 0.04 3.07 -0.50 0.13 115.11 118.41 2rpr h GLN 83 Ca -0.11 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.60 2rpr h GLN 83 Cb 1.88 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 29.32 2rpr h GLN 83 CO 0.14 0.36 0.00 2.89 0.09 0.00 0.00 178.83 182.30 2rpr n ARG 84 N -4.47 0.12 -0.11 0.06 1.85 -1.24 -3.61 116.66 109.25 2rpr n ARG 84 Ca 0.05 0.09 -0.22 0.00 -1.00 0.00 0.00 57.85 56.77 2rpr n ARG 84 Cb 0.13 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 29.95 2rpr n ARG 84 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2rpr n GLU 85 N -1.42 0.56 -2.66 2.89 -0.58 0.38 -4.94 120.64 114.86 2rpr n GLU 85 Ca 0.08 0.41 -0.39 0.00 -0.42 0.00 0.00 57.16 56.84 2rpr n GLU 85 Cb 0.24 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 29.45 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 -2.46 4.71 0.00 3.49 0.52 -0.72 -5.14 118.95 119.35 2rpr s ARG 86 Ca -0.31 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 2rpr s ARG 86 Cb 0.09 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.42 2rpr s ARG 86 CO 0.50 0.35 0.34 1.47 0.02 0.00 0.00 175.30 177.98