#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 1.08 0.00 1.61 0.01 -1.26 -5.05 113.70 110.09 2rpr s SER 2 Ca 0.00 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2rpr s SER 2 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2rpr s SER 2 CO 0.00 -0.34 0.00 -0.24 0.41 0.00 0.00 173.24 173.07 2rpr n SER 3 N 0.62 4.78 0.00 2.44 2.88 -1.26 -5.13 113.62 117.95 2rpr n SER 3 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2rpr n SER 3 Cb 0.58 0.46 0.00 0.00 -0.75 0.00 0.00 64.21 64.50 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 2.95 3.93 0.04 0.46 0.00 -1.26 -5.00 105.19 106.31 2rpr n GLY 4 Ca 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 46.02 44.72 2rpr n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rpr h SER 5 N 0.00 -0.02 -3.90 1.61 4.64 -2.05 -3.42 113.55 110.42 2rpr h SER 5 Ca 0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.59 2rpr h SER 5 Cb 0.00 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.77 2rpr h SER 5 CO 0.00 0.30 -0.14 -0.94 -0.87 0.00 0.00 176.83 175.18 2rpr s SER 6 N -4.60 5.91 0.43 4.97 1.04 -1.26 -4.90 113.70 115.28 2rpr s SER 6 Ca -0.00 -3.03 0.12 0.00 0.48 0.00 0.00 55.95 53.51 2rpr s SER 6 Cb 0.00 -1.98 0.93 0.00 0.10 0.00 0.00 66.02 65.07 2rpr s SER 6 CO 0.01 -0.38 1.99 1.23 0.98 0.00 0.00 173.24 177.07 2rpr h GLY 7 N 7.00 0.18 -5.28 7.32 0.00 -1.95 -3.43 103.07 106.92 2rpr h GLY 7 Ca 0.06 -0.10 -0.34 0.00 0.00 0.00 0.00 47.33 46.95 2rpr h GLY 7 CO 0.77 0.09 1.39 -0.10 0.00 0.00 0.00 176.54 178.69 2rpr n LEU 8 N -4.35 -0.19 -4.85 3.11 7.94 -1.26 -4.85 117.00 112.55 2rpr n LEU 8 Ca -0.01 -0.03 -0.36 0.00 -1.11 0.00 0.00 56.01 54.50 2rpr n LEU 8 Cb 0.21 -0.60 -0.06 0.00 0.53 0.00 0.00 43.42 43.50 2rpr n LEU 8 CO 0.37 -0.71 0.16 -0.13 -1.11 0.00 0.00 177.39 175.96 2rpr s ARG 9 N 6.32 3.90 1.10 1.96 1.81 -1.26 -5.04 118.95 127.74 2rpr s ARG 9 Ca 1.02 0.38 -0.16 0.00 -1.72 0.00 0.00 55.73 55.25 2rpr s ARG 9 Cb -0.85 -3.02 0.24 0.00 -0.45 0.00 0.00 34.95 30.87 2rpr s ARG 9 CO 0.39 0.55 1.10 -1.25 -0.68 0.00 0.00 175.30 175.41 2rpr s PRO 10 N -1.76 -0.40 0.02 3.54 0.04 -1.24 -3.85 135.00 131.34 2rpr s PRO 10 Ca 0.33 0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.64 2rpr s PRO 10 Cb -0.15 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2rpr s PRO 10 CO 0.18 -3.23 -0.10 -1.17 0.04 0.00 0.00 177.00 172.72 2rpr s LEU 11 N -6.70 2.13 0.26 -3.56 2.96 -1.16 -4.83 118.68 107.77 2rpr s LEU 11 Ca 0.68 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 2rpr s LEU 11 Cb -0.15 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 2rpr s LEU 11 CO 0.57 -0.00 0.40 -1.61 -1.32 0.00 0.00 176.35 174.39 2rpr s GLU 12 N -0.86 3.45 0.23 1.98 2.02 -1.25 -5.07 118.70 119.21 2rpr s GLU 12 Ca -0.01 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.34 2rpr s GLU 12 Cb -0.06 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 2rpr s GLU 12 CO 0.00 0.36 0.16 -0.06 0.02 0.00 0.00 175.26 175.74 2rpr s PHE 13 N -2.06 1.32 -0.13 1.61 0.40 -1.26 -2.72 117.98 115.14 2rpr s PHE 13 Ca 0.35 -1.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.21 2rpr s PHE 13 Cb -0.09 -0.63 0.05 0.00 0.51 0.00 0.00 43.02 42.86 2rpr s PHE 13 CO 0.31 -0.65 0.30 -0.51 0.70 0.00 0.00 175.22 175.37 2rpr s LEU 14 N -3.22 0.13 -0.11 -0.37 1.43 -0.07 -4.70 118.68 111.76 2rpr s LEU 14 Ca 0.39 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2rpr s LEU 14 Cb 0.06 0.92 -0.02 0.00 0.03 0.00 0.00 46.19 47.18 2rpr s LEU 14 CO 0.15 -0.19 -0.14 -0.13 0.23 0.00 0.00 176.35 176.28 2rpr s ARG 15 N 1.52 3.21 0.38 1.70 0.52 -1.26 0.23 118.95 125.25 2rpr s ARG 15 Ca -0.08 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.52 2rpr s ARG 15 Cb -0.10 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.79 2rpr s ARG 15 CO -0.10 0.29 0.49 0.95 0.02 0.00 0.00 175.30 176.96 2rpr s THR 16 N 0.14 3.40 -1.87 0.02 -4.23 -0.39 -4.76 115.64 107.95 2rpr s THR 16 Ca -0.07 -1.06 0.27 0.00 -1.18 0.00 0.00 61.69 59.65 2rpr s THR 16 Cb -0.15 -3.16 0.32 0.00 1.34 0.00 0.00 72.50 70.85 2rpr s THR 16 CO 0.05 -0.07 1.61 -0.24 -0.54 0.00 0.00 174.62 175.42 2rpr n SER 17 N -1.71 1.08 -0.52 3.99 2.88 -1.26 -3.77 113.62 114.31 2rpr n SER 17 Ca 0.04 -0.97 0.03 0.00 -1.33 0.00 0.00 58.87 56.64 2rpr n SER 17 Cb 0.59 0.11 0.11 0.00 -0.75 0.00 0.00 64.21 64.26 2rpr n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2rpr n LEU 18 N -0.53 1.47 -0.61 2.46 4.77 -1.26 -4.86 117.00 118.43 2rpr n LEU 18 Ca 0.13 -0.74 -0.03 0.00 -0.03 0.00 0.00 56.01 55.35 2rpr n LEU 18 Cb 0.35 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2rpr n LEU 18 CO 0.24 0.32 -0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2rpr n GLY 19 N 0.73 0.49 3.11 -0.72 0.00 -1.25 -5.06 105.19 102.49 2rpr n GLY 19 Ca 0.08 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.95 0.60 0.33 -0.02 0.00 -1.26 -5.05 107.32 98.97 2rpr s GLY 20 Ca 0.04 -1.05 0.08 0.00 0.00 0.00 0.00 44.72 43.78 2rpr s GLY 20 CO 0.05 -1.14 0.21 -1.60 0.00 0.00 0.00 173.10 170.62 2rpr s ARG 21 N -2.78 2.59 0.06 2.90 3.52 -1.26 -1.26 118.95 122.72 2rpr s ARG 21 Ca 0.01 -1.37 -0.05 0.00 -0.13 0.00 0.00 55.73 54.18 2rpr s ARG 21 Cb -0.02 -2.36 -0.02 0.00 -1.56 0.00 0.00 34.95 31.00 2rpr s ARG 21 CO -0.03 0.14 0.09 -0.06 -0.81 0.00 0.00 175.30 174.64 2rpr s PHE 22 N -2.33 0.29 -0.17 5.12 0.08 0.62 -4.69 117.98 116.89 2rpr s PHE 22 Ca 0.38 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.72 2rpr s PHE 22 Cb -0.05 -0.19 0.04 0.00 -0.57 0.00 0.00 43.02 42.25 2rpr s PHE 22 CO 0.25 -0.44 -0.09 -1.17 -0.10 0.00 0.00 175.22 173.67 2rpr s LEU 23 N -2.67 1.88 -0.21 -0.37 2.96 -0.59 -0.89 118.68 118.79 2rpr s LEU 23 Ca 0.03 -0.72 -0.20 0.00 -0.22 0.00 0.00 54.13 53.02 2rpr s LEU 23 Cb 0.04 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 2rpr s LEU 23 CO -0.09 -0.15 0.62 -0.69 -1.32 0.00 0.00 176.35 174.72 2rpr s VAL 24 N 1.52 5.02 -0.28 1.68 1.01 -1.10 -1.72 120.40 126.53 2rpr s VAL 24 Ca 0.01 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.94 2rpr s VAL 24 Cb -0.15 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.38 2rpr s VAL 24 CO -0.08 0.10 0.75 -2.28 0.00 0.00 0.00 175.10 173.58 2rpr s HIS 25 N 2.01 -0.89 -1.80 5.22 5.04 -1.15 -3.89 115.29 119.82 2rpr s HIS 25 Ca 0.28 1.92 0.00 0.00 -1.54 0.00 0.00 55.06 55.72 2rpr s HIS 25 Cb -0.16 0.47 0.00 0.00 0.04 0.00 0.00 32.58 32.93 2rpr s HIS 25 CO 0.10 -0.44 0.00 0.39 -2.34 0.00 0.00 174.74 172.45 2rpr n GLU 26 N 3.58 -1.66 -2.09 2.88 -0.58 -1.26 -1.09 120.64 120.42 2rpr n GLU 26 Ca -0.17 1.02 -0.15 0.00 -0.42 0.00 0.00 57.16 57.43 2rpr n GLU 26 Cb 0.57 -5.67 -0.02 0.00 -0.57 0.00 0.00 31.44 25.76 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 -1.96 -4.60 -2.82 1.62 7.64 -1.26 -4.86 113.62 107.37 2rpr n SER 27 Ca -0.25 0.07 -0.13 0.00 1.01 0.00 0.00 58.87 59.58 2rpr n SER 27 Cb 0.69 -3.67 -0.03 0.00 -1.01 0.00 0.00 64.21 60.19 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 -3.68 0.26 -4.12 1.43 3.72 -0.25 -3.69 117.46 111.13 2rpr n PHE 28 Ca -0.17 -1.15 -0.19 0.00 -0.05 0.00 0.00 57.45 55.89 2rpr n PHE 28 Cb 0.60 -0.07 -0.16 0.00 -0.94 0.00 0.00 39.48 38.92 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 1.37 0.19 4.37 1.43 -1.26 -2.95 118.68 121.83 2rpr s LEU 29 Ca 0.05 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 2rpr s LEU 29 Cb 0.00 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.80 2rpr s LEU 29 CO 0.04 -0.05 -0.14 -0.31 0.23 0.00 0.00 176.35 176.12 2rpr s TYR 30 N 0.81 1.63 0.10 0.29 1.51 -0.70 0.05 117.35 121.04 2rpr s TYR 30 Ca -0.10 -0.59 0.09 0.00 -1.01 0.00 0.00 57.07 55.45 2rpr s TYR 30 Cb -0.13 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 2rpr s TYR 30 CO -0.00 0.30 -0.18 1.03 -1.11 0.00 0.00 175.55 175.59 2rpr s ARG 31 N -3.56 1.84 -0.39 -0.62 0.52 0.12 -1.54 118.95 115.33 2rpr s ARG 31 Ca 0.20 -1.14 -0.28 0.00 -0.52 0.00 0.00 55.73 53.99 2rpr s ARG 31 Cb -0.01 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 33.33 2rpr s ARG 31 CO 0.06 0.49 1.64 0.21 0.02 0.00 0.00 175.30 177.72 2rpr s LYS 32 N -1.97 3.38 -0.12 3.54 2.20 -1.26 -1.10 119.74 124.42 2rpr s LYS 32 Ca 0.17 1.15 -0.04 0.00 -0.36 0.00 0.00 55.97 56.89 2rpr s LYS 32 Cb -0.11 -4.14 -0.02 0.00 -1.51 0.00 0.00 37.83 32.05 2rpr s LYS 32 CO 0.09 -1.80 -0.04 1.49 -0.36 0.00 0.00 175.35 174.73 2rpr h GLU 33 N 12.09 0.00 0.00 4.03 4.22 -0.95 -3.49 114.58 130.48 2rpr h GLU 33 Ca -0.31 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.03 2rpr h GLU 33 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2rpr h GLU 33 CO 1.07 0.04 0.03 0.36 -2.18 0.00 0.00 179.01 178.33 2rpr n LYS 34 N -4.71 0.59 -3.72 1.92 2.85 -1.17 -5.00 118.16 108.93 2rpr n LYS 34 Ca -0.03 -1.66 -0.21 0.00 -1.05 0.00 0.00 58.31 55.35 2rpr n LYS 34 Cb 0.12 1.79 -0.18 0.00 -0.65 0.00 0.00 35.03 36.11 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 -2.06 0.45 0.28 0.58 0.00 -1.26 -0.64 121.76 119.12 2rpr s ALA 35 Ca 0.15 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.18 2rpr s ALA 35 Cb -0.02 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.45 2rpr s ALA 35 CO 0.11 -0.49 0.35 0.00 0.00 0.00 0.00 175.76 175.72 2rpr n ALA 36 N 5.23 0.56 -1.52 0.00 0.00 0.16 -4.90 120.51 120.04 2rpr n ALA 36 Ca -0.05 -1.04 -0.26 0.00 0.00 0.00 0.00 53.44 52.09 2rpr n ALA 36 Cb 0.50 0.32 -0.17 0.00 0.00 0.00 0.00 19.45 20.10 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 1.60 -0.38 3.65 0.00 0.00 -1.26 -0.13 105.19 108.68 2rpr n GLY 37 Ca 0.06 0.38 -0.25 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 7.10 -7.46 -3.72 1.61 1.02 -1.26 -4.99 120.64 112.93 2rpr n GLU 38 Ca 0.61 0.79 -0.11 0.00 -0.02 0.00 0.00 57.16 58.43 2rpr n GLU 38 Cb 0.20 -5.81 -0.06 0.00 -0.02 0.00 0.00 31.44 25.75 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2rpr s LYS 39 N -6.33 0.92 -0.10 3.49 1.02 0.81 -4.74 119.74 114.81 2rpr s LYS 39 Ca 0.57 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.88 2rpr s LYS 39 Cb -0.26 0.40 0.04 0.00 -0.52 0.00 0.00 37.83 37.48 2rpr s LYS 39 CO 0.75 -0.32 0.01 0.08 -0.92 0.00 0.00 175.35 174.94 2rpr s VAL 40 N -3.31 0.43 0.09 3.17 1.01 -0.83 0.37 120.40 121.33 2rpr s VAL 40 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 2rpr s VAL 40 Cb 0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 2rpr s VAL 40 CO -0.08 0.14 0.87 -0.31 0.00 0.00 0.00 175.10 175.72 2rpr s TYR 41 N 1.94 3.79 0.26 5.22 1.51 0.19 -1.83 117.35 128.43 2rpr s TYR 41 Ca 0.04 1.65 0.09 0.00 -1.01 0.00 0.00 57.07 57.83 2rpr s TYR 41 Cb -0.13 -2.93 -0.05 0.00 -0.11 0.00 0.00 41.96 38.73 2rpr s TYR 41 CO -0.06 0.26 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.93 2rpr s TRP 42 N -0.12 2.00 -0.11 2.71 0.52 0.17 -0.25 118.94 123.86 2rpr s TRP 42 Ca 0.42 -0.54 -0.05 0.00 0.02 0.00 0.00 56.10 55.96 2rpr s TRP 42 Cb -0.22 -1.00 0.05 0.00 -1.15 0.00 0.00 33.47 31.15 2rpr s TRP 42 CO 0.27 0.45 0.23 0.00 0.02 0.00 0.00 176.95 177.92 2rpr s MET 43 N -3.63 0.17 -0.47 4.98 0.23 -0.26 -2.02 119.30 118.30 2rpr s MET 43 Ca 0.27 0.57 -0.43 0.00 -1.03 0.00 0.00 55.69 55.07 2rpr s MET 43 Cb -0.00 -0.12 -0.18 0.00 -1.53 0.00 0.00 34.83 33.00 2rpr s MET 43 CO 0.11 -0.20 2.02 0.00 -2.03 0.00 0.00 175.02 174.93 2rpr h ARG 45 N 8.53 0.05 -2.67 0.00 0.11 -0.65 -0.85 114.38 118.91 2rpr h ARG 45 Ca -0.20 -0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.36 2rpr h ARG 45 Cb 1.39 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.46 2rpr h ARG 45 CO 1.05 0.03 2.46 -0.40 0.10 0.00 0.00 179.97 183.21 2rpr n ASP 46 N -5.44 7.62 0.02 0.08 5.68 -1.26 -4.34 116.55 118.91 2rpr n ASP 46 Ca 0.20 -2.54 -0.20 0.00 -0.50 0.00 0.00 54.79 51.75 2rpr n ASP 46 Cb 0.67 -1.51 -0.14 0.00 -1.14 0.00 0.00 41.12 38.99 2rpr n ASP 46 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 2rpr h GLN 47 N 4.34 0.26 0.00 0.11 -0.00 -1.30 -2.65 115.11 115.87 2rpr h GLN 47 Ca 0.65 -0.45 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 2rpr h GLN 47 Cb 0.69 0.17 0.00 0.00 -0.00 0.00 0.00 27.48 28.34 2rpr h GLN 47 CO 1.27 1.16 -0.05 0.00 -0.00 0.00 0.00 178.83 181.22 2rpr h ALA 48 N 0.20 0.00 -0.68 0.06 0.00 -1.78 0.55 119.26 117.61 2rpr h ALA 48 Ca -0.38 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.34 2rpr h ALA 48 Cb 2.05 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.79 2rpr h ALA 48 CO 0.11 0.05 -0.47 -0.09 0.00 0.00 0.00 179.25 178.84 2rpr h ARG 49 N -0.10 -0.09 0.00 0.00 2.43 -1.88 0.28 114.38 115.02 2rpr h ARG 49 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2rpr h ARG 49 Cb 0.05 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2rpr h ARG 49 CO 0.00 -0.06 0.00 -0.07 -1.51 0.00 0.00 179.97 178.33 2rpr h LEU 50 N -0.09 0.00 -0.71 3.80 3.38 -1.81 -3.47 115.31 116.41 2rpr h LEU 50 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2rpr h LEU 50 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2rpr h LEU 50 CO -0.69 0.00 -0.07 0.61 0.09 0.00 0.00 178.44 178.39 2rpr n GLY 51 N 0.89 0.69 3.84 0.83 0.00 0.98 -4.97 105.19 107.45 2rpr n GLY 51 Ca 0.04 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 1.02 1.44 -3.22 0.00 5.12 -1.26 -4.13 116.66 115.62 2rpr n ARG 53 Ca -0.07 -3.10 -0.39 0.00 -1.93 0.00 0.00 57.85 52.36 2rpr n ARG 53 Cb 0.52 -1.31 -0.06 0.00 -1.16 0.00 0.00 32.46 30.45 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 -3.01 7.04 0.01 0.55 0.15 -1.26 -4.85 113.70 112.33 2rpr s SER 54 Ca 0.38 1.24 0.06 0.00 0.70 0.00 0.00 55.95 58.33 2rpr s SER 54 Cb 0.38 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 2rpr s SER 54 CO -0.08 0.19 -0.19 -0.13 1.20 0.00 0.00 173.24 174.23 2rpr s ARG 55 N -0.67 1.44 0.06 5.44 3.00 -1.26 -2.46 118.95 124.50 2rpr s ARG 55 Ca 0.30 -0.76 0.03 0.00 0.00 0.00 0.00 55.73 55.31 2rpr s ARG 55 Cb -0.19 -1.44 -0.03 0.00 0.00 0.00 0.00 34.95 33.29 2rpr s ARG 55 CO 0.19 0.38 -0.09 0.00 0.00 0.00 0.00 175.30 175.78 2rpr s ALA 56 N -0.58 0.83 0.31 2.13 0.00 -0.86 0.07 121.76 123.66 2rpr s ALA 56 Ca 0.07 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.18 2rpr s ALA 56 Cb -0.08 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2rpr s ALA 56 CO 0.00 -0.01 -0.09 0.42 0.00 0.00 0.00 175.76 176.08 2rpr s ILE 57 N -1.81 2.65 -0.02 0.00 1.01 0.12 0.44 121.20 123.59 2rpr s ILE 57 Ca -0.03 -2.16 -0.01 0.00 0.00 0.00 0.00 60.65 58.44 2rpr s ILE 57 Cb -0.07 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.81 2rpr s ILE 57 CO 0.00 -0.30 0.04 0.42 0.00 0.00 0.00 174.94 175.10 2rpr s THR 58 N -2.50 -0.02 -0.22 2.92 -4.23 -0.76 0.10 115.64 110.94 2rpr s THR 58 Ca 0.32 0.06 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 2rpr s THR 58 Cb -0.03 -0.08 0.10 0.00 1.34 0.00 0.00 72.50 73.84 2rpr s THR 58 CO 0.17 0.03 0.26 -1.10 -0.54 0.00 0.00 174.62 173.44 2rpr s GLN 59 N 0.36 0.23 4.21 3.99 1.11 -1.16 -1.97 119.66 126.43 2rpr s GLN 59 Ca -0.03 0.25 0.00 0.00 0.01 0.00 0.00 55.36 55.59 2rpr s GLN 59 Cb -0.04 -1.03 0.00 0.00 -1.01 0.00 0.00 33.01 30.93 2rpr s GLN 59 CO -0.01 -0.68 0.00 0.41 0.01 0.00 0.00 175.29 175.02 2rpr n GLY 60 N 5.33 2.00 0.00 3.09 0.00 -1.26 -2.87 105.19 111.48 2rpr n GLY 60 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.14 1.61 -0.00 -1.26 -5.01 115.22 106.41 2rpr n HIS 61 Ca 0.00 -0.25 -0.28 0.00 -0.00 0.00 0.00 57.72 57.18 2rpr n HIS 61 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.99 29.95 2rpr n HIS 61 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2rpr n ARG 62 N -0.25 0.69 -3.87 1.57 5.12 -1.14 -3.01 116.66 115.78 2rpr n ARG 62 Ca 0.00 -3.56 -0.09 0.00 -1.93 0.00 0.00 57.85 52.27 2rpr n ARG 62 Cb 0.34 0.55 -0.07 0.00 -1.16 0.00 0.00 32.46 32.12 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 -2.79 0.15 0.03 0.55 2.07 -1.26 -2.97 121.20 116.97 2rpr s ILE 63 Ca 0.23 -1.20 -0.00 0.00 -1.41 0.00 0.00 60.65 58.27 2rpr s ILE 63 Cb -0.02 -1.33 -0.02 0.00 0.13 0.00 0.00 42.46 41.21 2rpr s ILE 63 CO 0.14 -0.66 -0.03 -0.04 -1.91 0.00 0.00 174.94 172.44 2rpr s MET 64 N -3.82 0.39 -0.03 3.50 -1.94 0.12 -4.97 119.30 112.56 2rpr s MET 64 Ca 0.05 -0.76 0.08 0.00 -1.71 0.00 0.00 55.69 53.34 2rpr s MET 64 Cb 0.05 0.11 -0.02 0.00 2.01 0.00 0.00 34.83 36.97 2rpr s MET 64 CO -0.11 -0.06 -0.25 0.08 -0.01 0.00 0.00 175.02 174.67 2rpr s VAL 65 N -2.01 2.12 -0.25 -6.03 1.01 -1.26 0.10 120.40 114.08 2rpr s VAL 65 Ca -0.10 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.64 2rpr s VAL 65 Cb -0.06 -1.74 -0.12 0.00 0.00 0.00 0.00 36.38 34.46 2rpr s VAL 65 CO -0.03 0.58 -0.26 0.23 0.00 0.00 0.00 175.10 175.62 2rpr n MET 66 N 2.48 0.57 -4.49 2.72 2.81 0.11 -4.96 117.12 116.36 2rpr n MET 66 Ca -0.16 0.32 -0.23 0.00 -1.81 0.00 0.00 57.70 55.81 2rpr n MET 66 Cb 0.51 -1.53 -0.10 0.00 -0.71 0.00 0.00 33.22 31.39 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 -2.53 1.76 0.77 0.03 3.52 -1.24 -4.96 118.95 116.30 2rpr s ARG 67 Ca -0.35 -2.02 -0.06 0.00 -0.13 0.00 0.00 55.73 53.17 2rpr s ARG 67 Cb 0.11 -0.84 0.16 0.00 -1.56 0.00 0.00 34.95 32.83 2rpr s ARG 67 CO 0.49 -0.28 1.05 -1.13 -0.81 0.00 0.00 175.30 174.61 2rpr n SER 68 N -0.90 0.81 -4.52 -2.12 3.41 -1.26 -4.46 113.62 104.58 2rpr n SER 68 Ca -0.04 -1.82 -0.34 0.00 -0.26 0.00 0.00 58.87 56.41 2rpr n SER 68 Cb 0.66 -0.73 -0.12 0.00 -0.26 0.00 0.00 64.21 63.76 2rpr n SER 68 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2rpr s HIS 69 N -3.18 2.91 -1.58 7.33 0.09 -1.26 -4.05 115.29 115.55 2rpr s HIS 69 Ca 0.65 -0.15 0.30 0.00 -0.00 0.00 0.00 55.06 55.85 2rpr s HIS 69 Cb -0.03 -1.77 1.59 0.00 -0.00 0.00 0.00 32.58 32.37 2rpr s HIS 69 CO 0.44 0.17 2.07 0.00 -0.00 0.00 0.00 174.74 177.41 2rpr s HIS 71 N -2.42 1.81 0.10 0.00 -3.43 -1.26 -5.09 115.29 105.00 2rpr s HIS 71 Ca 0.33 -1.04 0.05 0.00 -0.80 0.00 0.00 55.06 53.60 2rpr s HIS 71 Cb 0.20 -1.51 -0.04 0.00 -1.43 0.00 0.00 32.58 29.80 2rpr s HIS 71 CO 0.42 0.11 -0.01 1.14 -2.00 0.00 0.00 174.74 174.40 2rpr s GLN 72 N -3.85 2.49 0.66 -0.38 -2.07 -1.26 -5.11 119.66 110.14 2rpr s GLN 72 Ca 0.07 -0.87 -0.15 0.00 -1.82 0.00 0.00 55.36 52.59 2rpr s GLN 72 Cb 0.01 -2.50 0.00 0.00 -1.09 0.00 0.00 33.01 29.43 2rpr s GLN 72 CO 0.04 0.53 1.11 -1.25 -1.32 0.00 0.00 175.29 174.40 2rpr s PRO 73 N -2.33 2.77 -0.30 9.60 0.04 -1.26 -5.05 135.00 138.47 2rpr s PRO 73 Ca 0.25 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.64 2rpr s PRO 73 Cb -0.12 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.58 2rpr s PRO 73 CO 0.18 -1.27 0.12 -0.51 0.04 0.00 0.00 177.00 175.55 2rpr s ASP 74 N -2.63 3.73 0.60 6.66 1.01 -1.24 -4.98 116.67 119.82 2rpr s ASP 74 Ca 0.67 -1.43 0.37 0.00 0.71 0.00 0.00 52.55 52.87 2rpr s ASP 74 Cb -0.20 -0.55 1.89 0.00 1.01 0.00 0.00 42.92 45.06 2rpr s ASP 74 CO 0.42 -0.43 2.19 -0.07 0.21 0.00 0.00 175.17 177.50 2rpr h LEU 75 N 8.28 0.00 0.14 1.23 3.38 -1.97 -1.82 115.31 124.56 2rpr h LEU 75 Ca -0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2rpr h LEU 75 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2rpr h LEU 75 CO 0.45 0.03 -0.07 0.00 0.09 0.00 0.00 178.44 178.94 2rpr h ALA 76 N 1.97 -0.23 -0.54 1.53 0.00 -1.98 -1.98 119.26 118.04 2rpr h ALA 76 Ca -0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2rpr h ALA 76 Cb 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2rpr h ALA 76 CO 0.00 -0.21 0.36 0.78 0.00 0.00 0.00 179.25 180.18 2rpr h GLY 77 N -0.85 0.54 0.51 0.00 0.00 -1.97 -1.31 103.07 99.98 2rpr h GLY 77 Ca -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 2rpr h GLY 77 CO 0.03 0.12 -0.14 -2.00 0.00 0.00 0.00 176.54 174.55 2rpr h LEU 78 N 0.41 0.18 -2.09 3.11 5.85 -1.45 -3.16 115.31 118.17 2rpr h LEU 78 Ca 0.24 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2rpr h LEU 78 Cb 0.42 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2rpr h LEU 78 CO -0.06 0.78 0.02 -0.33 -0.34 0.00 0.00 178.44 178.51 2rpr h GLU 79 N -0.41 0.00 -0.76 1.25 5.08 -0.88 -1.68 114.58 117.18 2rpr h GLU 79 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2rpr h GLU 79 Cb 0.77 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2rpr h GLU 79 CO 0.03 0.00 0.29 0.00 -1.00 0.00 0.00 179.01 178.33 2rpr h ALA 80 N 1.99 1.00 0.00 3.43 0.00 -1.22 -1.04 119.26 123.41 2rpr h ALA 80 Ca 0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2rpr h ALA 80 Cb 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2rpr h ALA 80 CO -0.00 0.64 -0.51 -0.07 0.00 0.00 0.00 179.25 179.31 2rpr h LEU 81 N 1.12 0.00 -0.33 0.00 3.38 -1.33 -3.18 115.31 114.97 2rpr h LEU 81 Ca 0.25 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.03 2rpr h LEU 81 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2rpr h LEU 81 CO -0.02 0.51 -0.82 0.03 0.09 0.00 0.00 178.44 178.23 2rpr h ARG 82 N 0.00 0.31 -0.54 1.13 3.08 -0.99 -3.16 114.38 114.21 2rpr h ARG 82 Ca -0.01 -0.30 0.05 0.00 0.07 0.00 0.00 59.98 59.79 2rpr h ARG 82 Cb 1.19 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 2rpr h ARG 82 CO 0.07 0.98 0.36 -0.56 -1.07 0.00 0.00 179.97 179.74 2rpr h GLN 83 N 0.19 0.54 -0.00 0.04 3.07 -1.18 0.23 115.11 118.01 2rpr h GLN 83 Ca -0.05 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2rpr h GLN 83 Cb 1.42 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.86 2rpr h GLN 83 CO 0.13 0.36 -0.02 0.54 0.09 0.00 0.00 178.83 179.93 2rpr n ARG 84 N -4.47 0.71 -0.08 0.06 1.74 -1.20 -3.24 116.66 110.18 2rpr n ARG 84 Ca 0.07 -0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 2rpr n ARG 84 Cb 0.20 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.01 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 -1.07 1.19 -0.13 5.56 2.13 0.64 -4.35 120.64 124.61 2rpr n GLU 85 Ca 0.18 0.01 0.07 0.00 0.66 0.00 0.00 57.16 58.08 2rpr n GLU 85 Cb 0.21 -1.42 0.22 0.00 0.27 0.00 0.00 31.44 30.72 2rpr n GLU 85 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2rpr n ARG 86 N -2.69 1.71 0.00 5.31 1.85 -0.18 -5.05 116.66 117.60 2rpr n ARG 86 Ca -0.28 -1.09 0.13 0.00 -1.00 0.00 0.00 57.85 55.60 2rpr n ARG 86 Cb 1.01 -1.29 0.26 0.00 -1.05 0.00 0.00 32.46 31.38 2rpr n ARG 86 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51