#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 -0.40 0.02 1.61 0.01 -1.26 -5.17 113.70 108.51 2rpr s SER 2 Ca 0.00 0.40 0.06 0.00 1.31 0.00 0.00 55.95 57.72 2rpr s SER 2 Cb 0.00 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 2rpr s SER 2 CO 0.00 -0.48 -0.17 -0.94 0.41 0.00 0.00 173.24 172.05 2rpr s SER 3 N -1.13 2.06 0.00 2.44 1.04 -1.26 -5.14 113.70 111.71 2rpr s SER 3 Ca -0.11 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2rpr s SER 3 Cb -0.03 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2rpr s SER 3 CO 0.06 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2rpr n GLY 4 N 2.23 4.96 0.97 7.32 0.00 -1.26 -5.05 105.19 114.35 2rpr n GLY 4 Ca -0.16 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2rpr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rpr n SER 5 N 0.00 2.65 -4.73 1.61 7.64 -1.26 -4.83 113.62 114.71 2rpr n SER 5 Ca 0.00 -3.59 -0.34 0.00 1.01 0.00 0.00 58.87 55.95 2rpr n SER 5 Cb 0.00 -0.59 -0.08 0.00 -1.01 0.00 0.00 64.21 62.52 2rpr n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2rpr s SER 6 N -2.52 5.45 0.30 6.43 0.15 -1.26 -5.02 113.70 117.23 2rpr s SER 6 Ca 0.43 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2rpr s SER 6 Cb 0.38 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 2rpr s SER 6 CO 0.01 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2rpr n GLY 7 N 1.70 -1.02 2.38 9.45 0.00 -1.26 -4.70 105.19 111.73 2rpr n GLY 7 Ca -0.16 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 2rpr n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2rpr n LEU 8 N 0.00 -1.57 -4.78 0.99 -0.00 -1.26 -4.86 117.00 105.52 2rpr n LEU 8 Ca 0.00 0.67 -0.37 0.00 -0.00 0.00 0.00 56.01 56.32 2rpr n LEU 8 Cb 0.32 -0.65 -0.06 0.00 -0.00 0.00 0.00 43.42 43.02 2rpr n LEU 8 CO 0.00 -2.64 0.66 -0.13 -0.00 0.00 0.00 177.39 175.28 2rpr s ARG 9 N -0.71 4.58 0.00 1.47 0.52 -1.26 -5.03 118.95 118.51 2rpr s ARG 9 Ca 0.44 1.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 2rpr s ARG 9 Cb -0.54 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.10 2rpr s ARG 9 CO 0.43 0.26 0.00 -0.35 0.02 0.00 0.00 175.30 175.66 2rpr n PRO 10 N 0.60 -0.59 -3.88 3.54 -0.04 -1.26 -4.07 135.00 129.31 2rpr n PRO 10 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 2rpr n PRO 10 Cb 0.50 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.84 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 1.71 0.05 1.53 2.96 -1.06 -4.70 118.68 119.18 2rpr s LEU 11 Ca 0.00 -0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 53.67 2rpr s LEU 11 Cb 0.00 0.41 -0.06 0.00 0.50 0.00 0.00 46.19 47.03 2rpr s LEU 11 CO 0.00 -0.20 0.52 -0.70 -1.32 0.00 0.00 176.35 174.65 2rpr s GLU 12 N -0.71 4.12 0.20 1.98 2.12 -1.26 -5.06 118.70 120.10 2rpr s GLU 12 Ca -0.08 0.64 -0.01 0.00 0.36 0.00 0.00 54.97 55.88 2rpr s GLU 12 Cb -0.05 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2rpr s GLU 12 CO 0.00 0.65 0.12 -0.06 -0.54 0.00 0.00 175.26 175.43 2rpr s PHE 13 N -1.09 1.21 0.09 5.30 0.08 -1.26 -1.93 117.98 120.38 2rpr s PHE 13 Ca 0.27 -1.33 -0.03 0.00 0.12 0.00 0.00 56.93 55.96 2rpr s PHE 13 Cb -0.19 -0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 2rpr s PHE 13 CO 0.17 -0.57 0.07 -0.51 -0.10 0.00 0.00 175.22 174.29 2rpr s LEU 14 N -3.18 1.91 0.08 -0.37 1.43 0.50 -4.78 118.68 114.26 2rpr s LEU 14 Ca 0.37 -0.97 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2rpr s LEU 14 Cb 0.07 0.51 -0.03 0.00 0.03 0.00 0.00 46.19 46.77 2rpr s LEU 14 CO 0.11 -0.69 -0.17 -0.13 0.23 0.00 0.00 176.35 175.70 2rpr s ARG 15 N -3.95 0.97 0.39 1.70 0.52 -1.26 -0.35 118.95 116.96 2rpr s ARG 15 Ca 0.12 -1.04 0.08 0.00 -0.52 0.00 0.00 55.73 54.36 2rpr s ARG 15 Cb 0.07 -1.10 -0.02 0.00 0.52 0.00 0.00 34.95 34.41 2rpr s ARG 15 CO -0.06 0.25 0.33 0.95 0.02 0.00 0.00 175.30 176.80 2rpr s THR 16 N -1.20 2.95 0.06 0.02 -4.23 0.06 -4.90 115.64 108.40 2rpr s THR 16 Ca 0.02 -1.38 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 2rpr s THR 16 Cb -0.10 -3.06 -0.23 0.00 1.34 0.00 0.00 72.50 70.45 2rpr s THR 16 CO 0.03 -0.07 1.07 -1.28 -0.54 0.00 0.00 174.62 173.83 2rpr h SER 17 N 1.13 0.11 -2.90 3.99 0.87 -2.00 -3.39 113.55 111.37 2rpr h SER 17 Ca -0.43 -0.14 -0.79 0.00 -1.23 0.00 0.00 61.79 59.21 2rpr h SER 17 Cb 1.26 -0.04 -0.29 0.00 -0.44 0.00 0.00 62.40 62.89 2rpr h SER 17 CO 0.58 1.11 0.64 0.00 -0.53 0.00 0.00 176.83 178.63 2rpr n LEU 18 N -3.32 6.12 -2.77 2.23 -0.00 -1.26 -4.90 117.00 113.10 2rpr n LEU 18 Ca -0.07 -5.23 0.00 0.00 -0.00 0.00 0.00 56.01 50.71 2rpr n LEU 18 Cb 0.99 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 2rpr n LEU 18 CO 0.48 1.70 -0.36 0.61 -0.00 0.00 0.00 177.39 179.82 2rpr n GLY 19 N 1.37 0.00 3.60 1.47 0.00 -1.26 -4.99 105.19 105.38 2rpr n GLY 19 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.72 -0.18 -0.02 -0.02 0.00 -1.26 -4.98 107.32 100.14 2rpr s GLY 20 Ca 0.00 2.07 0.03 0.00 0.00 0.00 0.00 44.72 46.82 2rpr s GLY 20 CO 0.00 0.85 -0.10 -1.60 0.00 0.00 0.00 173.10 172.25 2rpr s ARG 21 N -1.63 0.95 0.24 2.90 3.52 -1.26 -0.76 118.95 122.90 2rpr s ARG 21 Ca 0.05 -0.36 0.11 0.00 -0.13 0.00 0.00 55.73 55.40 2rpr s ARG 21 Cb -0.01 -0.90 -0.05 0.00 -1.56 0.00 0.00 34.95 32.44 2rpr s ARG 21 CO -0.04 0.18 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.44 2rpr s PHE 22 N -0.04 2.48 -0.20 5.12 0.08 0.52 -4.60 117.98 121.35 2rpr s PHE 22 Ca 0.00 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.79 2rpr s PHE 22 Cb -0.06 -1.14 0.03 0.00 -0.57 0.00 0.00 43.02 41.28 2rpr s PHE 22 CO 0.00 0.61 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.40 2rpr s LEU 23 N -3.26 2.42 -0.31 -0.37 2.96 -0.99 -0.37 118.68 118.75 2rpr s LEU 23 Ca 0.28 -0.84 -0.19 0.00 -0.22 0.00 0.00 54.13 53.16 2rpr s LEU 23 Cb -0.07 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 2rpr s LEU 23 CO 0.15 -0.06 0.55 -0.69 -1.32 0.00 0.00 176.35 174.97 2rpr s VAL 24 N 1.27 5.01 -0.20 1.68 1.01 -0.81 -1.74 120.40 126.62 2rpr s VAL 24 Ca 0.01 0.67 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 2rpr s VAL 24 Cb -0.15 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.38 2rpr s VAL 24 CO -0.10 -0.09 0.47 -2.28 0.00 0.00 0.00 175.10 173.09 2rpr s HIS 25 N 2.43 -0.75 -1.25 5.22 5.04 -1.16 -3.99 115.29 120.82 2rpr s HIS 25 Ca 0.21 1.53 -0.07 0.00 -1.54 0.00 0.00 55.06 55.19 2rpr s HIS 25 Cb -0.15 0.36 0.01 0.00 0.04 0.00 0.00 32.58 32.84 2rpr s HIS 25 CO 0.12 -0.42 1.09 0.39 -2.34 0.00 0.00 174.74 173.58 2rpr n GLU 26 N 4.53 -7.30 -3.22 2.88 -0.58 -1.26 -1.93 120.64 113.75 2rpr n GLU 26 Ca -0.20 0.78 -0.23 0.00 -0.42 0.00 0.00 57.16 57.10 2rpr n GLU 26 Cb 0.55 -5.68 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 -2.78 -4.98 -3.01 1.62 7.64 -1.26 -4.85 113.62 105.98 2rpr n SER 27 Ca -0.04 -0.35 -0.17 0.00 1.01 0.00 0.00 58.87 59.32 2rpr n SER 27 Cb 0.57 -4.06 -0.05 0.00 -1.01 0.00 0.00 64.21 59.66 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 -4.26 -0.07 -4.26 1.43 3.72 -0.82 -3.65 117.46 109.55 2rpr n PHE 28 Ca -0.06 -1.88 -0.20 0.00 -0.05 0.00 0.00 57.45 55.26 2rpr n PHE 28 Cb 0.58 0.05 -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 1.56 0.31 4.37 1.43 -1.26 -2.99 118.68 122.10 2rpr s LEU 29 Ca 0.18 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2rpr s LEU 29 Cb 0.01 -0.48 -0.06 0.00 0.03 0.00 0.00 46.19 45.69 2rpr s LEU 29 CO 0.13 -0.00 0.04 -0.31 0.23 0.00 0.00 176.35 176.44 2rpr s TYR 30 N 0.57 1.91 0.02 0.29 1.51 -0.71 -0.54 117.35 120.39 2rpr s TYR 30 Ca -0.08 -0.94 0.05 0.00 -1.01 0.00 0.00 57.07 55.09 2rpr s TYR 30 Cb -0.12 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 2rpr s TYR 30 CO 0.01 0.02 -0.14 1.03 -1.11 0.00 0.00 175.55 175.35 2rpr s ARG 31 N -3.88 1.02 -0.30 -0.62 0.52 0.16 -2.36 118.95 113.50 2rpr s ARG 31 Ca 0.35 -0.63 -0.28 0.00 -0.52 0.00 0.00 55.73 54.65 2rpr s ARG 31 Cb 0.08 -1.01 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 2rpr s ARG 31 CO 0.14 0.26 2.02 0.21 0.02 0.00 0.00 175.30 177.96 2rpr s LYS 32 N -0.75 3.14 -0.14 3.54 2.20 -1.26 -1.12 119.74 125.35 2rpr s LYS 32 Ca 0.03 1.66 -0.15 0.00 -0.36 0.00 0.00 55.97 57.16 2rpr s LYS 32 Cb -0.07 -4.30 -0.12 0.00 -1.51 0.00 0.00 37.83 31.83 2rpr s LYS 32 CO 0.00 -2.08 0.27 1.49 -0.36 0.00 0.00 175.35 174.67 2rpr h GLU 33 N 14.32 0.00 0.00 4.03 4.81 -0.78 -3.49 114.58 133.48 2rpr h GLU 33 Ca -0.36 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.76 2rpr h GLU 33 Cb 1.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2rpr h GLU 33 CO 1.01 0.49 0.02 0.36 -0.73 0.00 0.00 179.01 180.16 2rpr n LYS 34 N -4.64 0.56 -3.77 1.92 2.85 -1.21 -5.00 118.16 108.87 2rpr n LYS 34 Ca -0.09 -1.62 -0.16 0.00 -1.05 0.00 0.00 58.31 55.39 2rpr n LYS 34 Cb 0.31 1.72 -0.16 0.00 -0.65 0.00 0.00 35.03 36.25 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 0.13 0.39 0.58 0.00 -1.26 -0.61 121.76 118.94 2rpr s ALA 35 Ca 0.15 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2rpr s ALA 35 Cb -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2rpr s ALA 35 CO 0.11 -0.18 0.18 0.00 0.00 0.00 0.00 175.76 175.86 2rpr n ALA 36 N 4.40 0.50 -1.51 0.00 0.00 0.14 -4.94 120.51 119.10 2rpr n ALA 36 Ca -0.23 -1.65 -0.31 0.00 0.00 0.00 0.00 53.44 51.25 2rpr n ALA 36 Cb 0.50 0.78 -0.17 0.00 0.00 0.00 0.00 19.45 20.56 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 0.29 -0.42 3.76 0.00 0.00 -1.26 0.21 105.19 107.77 2rpr n GLY 37 Ca -0.07 0.60 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 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 7.34 -6.13 -3.77 1.61 4.71 -1.26 -4.98 120.64 118.16 2rpr n GLU 38 Ca 0.64 0.68 -0.10 0.00 -0.01 0.00 0.00 57.16 58.37 2rpr n GLU 38 Cb 0.14 -5.56 -0.06 0.00 -1.01 0.00 0.00 31.44 24.95 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2rpr s LYS 39 N -6.33 0.99 -0.05 3.49 1.02 0.13 -4.54 119.74 114.45 2rpr s LYS 39 Ca 0.47 -0.87 -0.02 0.00 0.02 0.00 0.00 55.97 55.58 2rpr s LYS 39 Cb -0.23 0.41 0.03 0.00 -0.52 0.00 0.00 37.83 37.52 2rpr s LYS 39 CO 0.79 -0.36 0.04 0.08 -0.92 0.00 0.00 175.35 174.99 2rpr s VAL 40 N -3.85 0.01 0.13 3.17 1.01 -0.69 -0.68 120.40 119.50 2rpr s VAL 40 Ca 0.05 0.34 -0.24 0.00 0.00 0.00 0.00 61.98 62.13 2rpr s VAL 40 Cb 0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 36.38 36.10 2rpr s VAL 40 CO -0.10 0.19 0.73 -0.31 0.00 0.00 0.00 175.10 175.61 2rpr s TYR 41 N 2.02 3.87 0.14 5.22 1.51 0.22 -1.15 117.35 129.18 2rpr s TYR 41 Ca 0.04 1.54 0.06 0.00 -1.01 0.00 0.00 57.07 57.69 2rpr s TYR 41 Cb -0.12 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 2rpr s TYR 41 CO -0.03 0.51 -0.13 -1.58 -1.11 0.00 0.00 175.55 173.20 2rpr s TRP 42 N -1.03 1.41 -0.06 2.71 0.52 0.18 -0.03 118.94 122.65 2rpr s TRP 42 Ca 0.34 -0.61 -0.04 0.00 0.02 0.00 0.00 56.10 55.81 2rpr s TRP 42 Cb -0.22 -0.72 0.02 0.00 -1.15 0.00 0.00 33.47 31.41 2rpr s TRP 42 CO 0.24 0.16 0.15 0.00 0.02 0.00 0.00 176.95 177.53 2rpr s MET 43 N -3.13 0.15 -0.37 4.98 0.23 -0.28 -1.11 119.30 119.77 2rpr s MET 43 Ca 0.13 0.28 -0.40 0.00 -1.03 0.00 0.00 55.69 54.67 2rpr s MET 43 Cb -0.02 -0.01 -0.15 0.00 -1.53 0.00 0.00 34.83 33.11 2rpr s MET 43 CO 0.03 -0.07 1.95 0.00 -2.03 0.00 0.00 175.02 174.89 2rpr h ARG 45 N 8.91 0.00 -1.55 0.00 0.11 -1.07 -1.60 114.38 119.18 2rpr h ARG 45 Ca -0.33 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.65 2rpr h ARG 45 Cb 1.35 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.38 2rpr h ARG 45 CO 1.01 0.00 0.13 -0.25 0.10 0.00 0.00 179.97 180.96 2rpr n ASP 46 N -3.15 4.86 0.11 0.08 8.00 -1.26 -4.12 116.55 121.07 2rpr n ASP 46 Ca -0.01 -2.51 -0.19 0.00 0.71 0.00 0.00 54.79 52.79 2rpr n ASP 46 Cb 0.33 -0.92 -0.15 0.00 -0.02 0.00 0.00 41.12 40.37 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 0.83 0.35 0.00 -1.24 3.07 -1.41 -0.57 115.11 116.13 2rpr h GLN 47 Ca 0.10 -0.59 0.00 0.00 0.09 0.00 0.00 58.65 58.25 2rpr h GLN 47 Cb 1.09 0.22 0.00 0.00 0.08 0.00 0.00 27.48 28.87 2rpr h GLN 47 CO 0.24 1.27 -1.03 0.00 0.09 0.00 0.00 178.83 179.40 2rpr n ALA 48 N -2.60 3.25 -0.07 0.06 0.00 -1.26 -2.96 120.51 116.93 2rpr n ALA 48 Ca -0.12 -0.38 -0.07 0.00 0.00 0.00 0.00 53.44 52.88 2rpr n ALA 48 Cb 1.05 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.05 0.41 -0.98 0.00 0.63 -1.25 -4.57 116.66 108.85 2rpr n ARG 49 Ca 0.02 0.20 -0.12 0.00 -0.92 0.00 0.00 57.85 57.03 2rpr n ARG 49 Cb 0.45 -1.27 0.22 0.00 0.45 0.00 0.00 32.46 32.32 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 -4.05 5.89 -3.95 6.15 4.77 -0.36 -4.92 117.00 120.53 2rpr n LEU 50 Ca -0.10 -3.10 -0.27 0.00 -0.03 0.00 0.00 56.01 52.51 2rpr n LEU 50 Cb 0.39 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 2rpr n LEU 50 CO 0.16 0.85 -0.33 0.61 -1.33 0.00 0.00 177.39 177.35 2rpr n GLY 51 N -0.46 -0.15 3.89 -0.72 0.00 -1.03 -4.86 105.19 101.87 2rpr n GLY 51 Ca 0.43 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 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 0.27 1.75 -1.71 0.00 5.12 -1.26 -3.95 116.66 116.88 2rpr n ARG 53 Ca -0.04 -1.10 -0.38 0.00 -1.93 0.00 0.00 57.85 54.39 2rpr n ARG 53 Cb 0.52 -0.88 0.05 0.00 -1.16 0.00 0.00 32.46 30.98 2rpr n ARG 53 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2rpr n SER 54 N -0.31 2.15 -3.95 0.55 2.88 -1.23 -4.80 113.62 108.90 2rpr n SER 54 Ca 0.00 0.93 -0.09 0.00 -1.33 0.00 0.00 58.87 58.38 2rpr n SER 54 Cb 0.27 -1.52 -0.07 0.00 -0.75 0.00 0.00 64.21 62.13 2rpr n SER 54 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rpr s ARG 55 N -2.85 1.08 0.03 -1.46 0.52 -1.26 -0.64 118.95 114.36 2rpr s ARG 55 Ca 0.73 -1.15 -0.18 0.00 -0.52 0.00 0.00 55.73 54.62 2rpr s ARG 55 Cb -0.42 0.36 0.03 0.00 0.52 0.00 0.00 34.95 35.44 2rpr s ARG 55 CO 0.48 -0.38 0.39 0.00 0.02 0.00 0.00 175.30 175.81 2rpr s ALA 56 N -3.95 -0.96 -0.13 2.13 0.00 -0.27 -0.73 121.76 117.85 2rpr s ALA 56 Ca 0.15 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.45 2rpr s ALA 56 Cb 0.04 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.45 2rpr s ALA 56 CO -0.02 -0.42 -0.21 0.42 0.00 0.00 0.00 175.76 175.53 2rpr s ILE 57 N -2.25 2.18 -0.02 0.00 1.01 0.22 0.49 121.20 122.83 2rpr s ILE 57 Ca -0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 2rpr s ILE 57 Cb -0.01 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2rpr s ILE 57 CO -0.01 0.55 0.11 0.42 0.00 0.00 0.00 174.94 176.00 2rpr s THR 58 N 0.71 4.95 -0.43 2.92 -4.23 -0.30 0.17 115.64 119.42 2rpr s THR 58 Ca -0.09 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 2rpr s THR 58 Cb -0.16 -3.25 0.15 0.00 1.34 0.00 0.00 72.50 70.57 2rpr s THR 58 CO 0.01 0.39 0.27 -1.58 -0.54 0.00 0.00 174.62 173.17 2rpr s GLN 59 N -1.66 1.10 0.93 3.99 -0.44 -1.14 -1.70 119.66 120.74 2rpr s GLN 59 Ca 0.22 -1.95 0.00 0.00 -2.50 0.00 0.00 55.36 51.14 2rpr s GLN 59 Cb -0.12 -1.95 0.00 0.00 -1.64 0.00 0.00 33.01 29.30 2rpr s GLN 59 CO 0.13 -1.23 0.00 0.41 0.50 0.00 0.00 175.29 175.10 2rpr n GLY 60 N 3.41 1.92 0.00 2.59 0.00 -1.26 -3.29 105.19 108.57 2rpr n GLY 60 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.81 1.61 -0.00 -1.26 -5.03 115.22 107.73 2rpr n HIS 61 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 2rpr n HIS 61 Cb 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 29.99 29.95 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 -0.33 0.34 -3.73 1.57 1.74 -1.21 -2.55 116.66 112.49 2rpr n ARG 62 Ca 0.00 -2.52 -0.11 0.00 -0.77 0.00 0.00 57.85 54.45 2rpr n ARG 62 Cb 0.04 -0.38 -0.07 0.00 -1.02 0.00 0.00 32.46 31.04 2rpr n ARG 62 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2rpr s ILE 63 N -2.34 0.08 -0.02 0.55 2.07 -1.26 -2.90 121.20 117.38 2rpr s ILE 63 Ca 0.54 -0.70 -0.05 0.00 -1.41 0.00 0.00 60.65 59.04 2rpr s ILE 63 Cb -0.04 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 41.52 2rpr s ILE 63 CO 0.35 -0.39 0.10 -0.32 -1.91 0.00 0.00 174.94 172.78 2rpr s MET 64 N -2.94 0.28 0.04 3.50 -2.45 0.13 -4.94 119.30 112.92 2rpr s MET 64 Ca -0.02 -0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.28 2rpr s MET 64 Cb 0.00 0.12 -0.04 0.00 1.25 0.00 0.00 34.83 36.16 2rpr s MET 64 CO -0.06 -0.05 0.15 0.08 1.05 0.00 0.00 175.02 176.19 2rpr s VAL 65 N -0.64 5.08 0.07 10.11 1.01 -1.26 0.73 120.40 135.49 2rpr s VAL 65 Ca -0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2rpr s VAL 65 Cb -0.04 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2rpr s VAL 65 CO 0.00 0.20 -0.01 0.23 0.00 0.00 0.00 175.10 175.52 2rpr n MET 66 N 0.58 0.02 -3.71 2.72 2.81 0.09 -4.88 117.12 114.75 2rpr n MET 66 Ca -0.08 0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.61 2rpr n MET 66 Cb 0.52 -0.42 -0.02 0.00 -0.71 0.00 0.00 33.22 32.58 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 -1.81 2.96 0.70 0.03 0.52 -1.22 -4.94 118.95 115.19 2rpr s ARG 67 Ca -0.01 -1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 54.07 2rpr s ARG 67 Cb 0.00 -2.66 0.10 0.00 0.52 0.00 0.00 34.95 32.92 2rpr s ARG 67 CO 0.01 0.13 0.97 -1.12 0.02 0.00 0.00 175.30 175.32 2rpr s SER 68 N -4.06 4.52 -0.10 0.23 0.01 -1.26 -4.13 113.70 108.91 2rpr s SER 68 Ca 0.41 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.51 2rpr s SER 68 Cb -0.08 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 2rpr s SER 68 CO 0.28 -1.73 -0.11 -1.00 0.41 0.00 0.00 173.24 171.09 2rpr s HIS 69 N -3.11 2.83 -1.50 2.43 0.09 -1.26 -3.56 115.29 111.20 2rpr s HIS 69 Ca 0.64 -0.35 0.12 0.00 -0.00 0.00 0.00 55.06 55.48 2rpr s HIS 69 Cb -0.07 -1.77 0.43 0.00 -0.00 0.00 0.00 32.58 31.17 2rpr s HIS 69 CO 0.44 0.02 1.30 0.00 -0.00 0.00 0.00 174.74 176.50 2rpr s HIS 71 N -1.63 0.95 0.21 0.00 -3.43 -1.26 -5.09 115.29 105.04 2rpr s HIS 71 Ca 0.31 -1.25 -0.02 0.00 -0.80 0.00 0.00 55.06 53.29 2rpr s HIS 71 Cb 0.19 -0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 30.78 2rpr s HIS 71 CO 0.17 -0.53 0.42 -0.65 -2.00 0.00 0.00 174.74 172.15 2rpr s GLN 72 N -4.06 3.56 0.61 -0.38 -0.21 -1.26 -5.08 119.66 112.83 2rpr s GLN 72 Ca 0.27 -0.22 -0.17 0.00 0.02 0.00 0.00 55.36 55.26 2rpr s GLN 72 Cb 0.07 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 2rpr s GLN 72 CO 0.04 0.38 1.12 -1.25 -2.12 0.00 0.00 175.29 173.46 2rpr s PRO 73 N -3.25 3.06 -0.80 2.91 0.04 -1.26 -5.00 135.00 130.70 2rpr s PRO 73 Ca 0.40 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.95 2rpr s PRO 73 Cb -0.11 -1.98 0.23 0.00 0.04 0.00 0.00 34.50 32.68 2rpr s PRO 73 CO 0.28 -1.06 0.80 -3.47 0.04 0.00 0.00 177.00 173.59 2rpr n ASP 74 N -1.90 4.09 0.33 6.66 -0.08 -1.24 -4.89 116.55 119.52 2rpr n ASP 74 Ca 0.11 -3.29 0.11 0.00 -1.51 0.00 0.00 54.79 50.21 2rpr n ASP 74 Cb 0.51 -0.89 0.57 0.00 2.34 0.00 0.00 41.12 43.66 2rpr n ASP 74 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2rpr h LEU 75 N 5.21 0.00 0.00 -2.67 3.38 -1.95 0.20 115.31 119.47 2rpr h LEU 75 Ca 0.18 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 2rpr h LEU 75 Cb 0.72 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2rpr h LEU 75 CO 0.88 0.00 -1.28 0.00 0.09 0.00 0.00 178.44 178.13 2rpr n ALA 76 N -1.76 0.79 0.02 1.53 0.00 -1.26 -3.18 120.51 116.65 2rpr n ALA 76 Ca -0.01 -0.50 0.01 0.00 0.00 0.00 0.00 53.44 52.94 2rpr n ALA 76 Cb 0.55 -0.55 0.32 0.00 0.00 0.00 0.00 19.45 19.77 2rpr n ALA 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2rpr h GLY 77 N -1.00 0.51 0.79 0.00 0.00 -1.42 -1.79 103.07 100.16 2rpr h GLY 77 Ca -0.36 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 2rpr h GLY 77 CO -0.22 0.28 -0.44 -2.00 0.00 0.00 0.00 176.54 174.16 2rpr h LEU 78 N 0.46 0.53 -1.90 3.11 5.85 -0.90 -3.11 115.31 119.34 2rpr h LEU 78 Ca 0.10 -0.66 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 2rpr h LEU 78 Cb 0.31 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2rpr h LEU 78 CO 0.01 1.10 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.76 2rpr h GLU 79 N -0.01 0.00 0.37 1.25 4.39 -1.48 -2.99 114.58 116.12 2rpr h GLU 79 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2rpr h GLU 79 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2rpr h GLU 79 CO 0.09 0.12 -0.18 0.00 -1.16 0.00 0.00 179.01 177.88 2rpr h ALA 80 N 1.88 -0.50 -0.70 3.43 0.00 -1.29 -2.74 119.26 119.33 2rpr h ALA 80 Ca -0.00 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.87 2rpr h ALA 80 Cb 0.28 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 2rpr h ALA 80 CO 0.02 -0.61 -0.12 -0.07 0.00 0.00 0.00 179.25 178.47 2rpr h LEU 81 N -0.84 -0.54 -1.46 0.00 3.38 -1.46 0.51 115.31 114.88 2rpr h LEU 81 Ca -0.05 0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2rpr h LEU 81 Cb 0.54 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 2rpr h LEU 81 CO 0.08 -0.21 0.42 0.03 0.09 0.00 0.00 178.44 178.85 2rpr h ARG 82 N 0.03 0.66 0.00 1.13 3.08 -1.56 0.43 114.38 118.15 2rpr h ARG 82 Ca 0.35 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 2rpr h ARG 82 Cb 0.56 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2rpr h ARG 82 CO -0.68 0.44 -0.16 0.37 -1.07 0.00 0.00 179.97 178.87 2rpr h GLN 83 N 0.68 0.00 0.00 0.04 5.75 0.21 -2.93 115.11 118.86 2rpr h GLN 83 Ca 0.26 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.75 2rpr h GLN 83 Cb 0.18 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 2rpr h GLN 83 CO -0.08 0.16 -0.70 0.00 -2.65 0.00 0.00 178.83 175.56 2rpr h ARG 84 N 0.00 0.00 0.00 1.69 3.08 0.11 -3.40 114.38 115.86 2rpr h ARG 84 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2rpr h ARG 84 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2rpr h ARG 84 CO 0.02 0.02 0.00 0.39 -1.07 0.00 0.00 179.97 179.33 2rpr n GLU 85 N -2.83 0.00 -2.58 0.04 1.02 -0.30 -4.96 120.64 111.03 2rpr n GLU 85 Ca 0.01 0.32 -0.25 0.00 -0.02 0.00 0.00 57.16 57.21 2rpr n GLU 85 Cb 0.56 -0.80 0.03 0.00 -0.02 0.00 0.00 31.44 31.21 2rpr n GLU 85 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2rpr s ARG 86 N -0.72 2.93 0.00 3.49 0.52 -1.12 -5.12 118.95 118.93 2rpr s ARG 86 Ca 0.00 -0.20 0.07 0.00 -0.52 0.00 0.00 55.73 55.09 2rpr s ARG 86 Cb 0.00 -2.37 0.06 0.00 0.52 0.00 0.00 34.95 33.16 2rpr s ARG 86 CO 0.00 -0.58 0.74 -0.11 0.02 0.00 0.00 175.30 175.36