#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpr n SER 2 N 0.00 2.72 -0.11 1.61 2.88 -1.26 -4.88 113.62 114.58 2rpr n SER 2 Ca 0.00 -3.18 -0.18 0.00 -1.33 0.00 0.00 58.87 54.18 2rpr n SER 2 Cb 0.00 -0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 62.70 2rpr n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2rpr n SER 3 N 1.57 1.94 0.00 -3.46 7.64 -1.26 -4.99 113.62 115.05 2rpr n SER 3 Ca 0.25 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2rpr n SER 3 Cb 0.40 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2rpr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rpr n GLY 4 N 1.38 0.67 3.79 0.23 0.00 -1.26 -4.59 105.19 105.41 2rpr n GLY 4 Ca -0.32 0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 7.18 0.81 1.61 0.15 -1.26 -5.07 113.70 113.12 2rpr s SER 5 Ca 0.00 1.40 -0.12 0.00 0.70 0.00 0.00 55.95 57.94 2rpr s SER 5 Cb 0.00 -2.42 0.08 0.00 -1.71 0.00 0.00 66.02 61.97 2rpr s SER 5 CO 0.00 0.21 1.13 -0.44 1.20 0.00 0.00 173.24 175.34 2rpr s SER 6 N -0.93 4.45 0.00 5.45 0.01 -1.26 -4.65 113.70 116.76 2rpr s SER 6 Ca 0.32 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.65 2rpr s SER 6 Cb -0.21 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2rpr s SER 6 CO 0.22 -1.97 0.00 0.61 0.41 0.00 0.00 173.24 172.51 2rpr n GLY 7 N -2.60 1.69 3.55 3.44 0.00 -1.26 -5.06 105.19 104.95 2rpr n GLY 7 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 3.20 0.38 0.99 2.96 -1.26 -5.00 118.68 119.95 2rpr s LEU 8 Ca 0.00 -0.34 -0.24 0.00 -0.22 0.00 0.00 54.13 53.33 2rpr s LEU 8 Cb 0.00 -2.55 -0.10 0.00 0.50 0.00 0.00 46.19 44.04 2rpr s LEU 8 CO 0.00 -1.94 0.98 -0.13 -1.32 0.00 0.00 176.35 173.94 2rpr s ARG 9 N 5.97 4.33 0.00 1.98 1.81 -1.26 -4.95 118.95 126.82 2rpr s ARG 9 Ca 0.42 1.32 0.00 0.00 -1.72 0.00 0.00 55.73 55.75 2rpr s ARG 9 Cb -0.09 -2.52 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 2rpr s ARG 9 CO 0.15 0.04 0.00 -0.35 -0.68 0.00 0.00 175.30 174.46 2rpr n PRO 10 N -0.04 -0.82 -3.58 3.54 -0.04 -1.23 -3.28 135.00 129.55 2rpr n PRO 10 Ca 0.05 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 2rpr n PRO 10 Cb 0.51 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.37 -0.02 1.53 2.96 -1.13 -4.59 118.68 117.06 2rpr s LEU 11 Ca 0.00 0.71 -0.01 0.00 -0.22 0.00 0.00 54.13 54.61 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 -0.52 0.07 -0.70 -1.32 0.00 0.00 176.35 173.88 2rpr s GLU 12 N -0.96 3.07 0.23 1.98 2.12 -1.25 -5.06 118.70 118.83 2rpr s GLU 12 Ca -0.10 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 54.78 2rpr s GLU 12 Cb -0.02 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 2rpr s GLU 12 CO 0.08 0.66 0.16 -0.06 -0.54 0.00 0.00 175.26 175.56 2rpr s PHE 13 N -1.15 1.28 0.04 5.30 0.40 -1.26 -1.08 117.98 121.52 2rpr s PHE 13 Ca 0.21 -1.44 -0.06 0.00 -0.60 0.00 0.00 56.93 55.04 2rpr s PHE 13 Cb -0.12 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 2rpr s PHE 13 CO 0.12 -0.69 0.11 -0.51 0.70 0.00 0.00 175.22 174.95 2rpr s LEU 14 N -3.20 1.75 -0.01 -0.37 1.43 -0.54 -4.83 118.68 112.91 2rpr s LEU 14 Ca 0.39 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2rpr s LEU 14 Cb 0.06 0.67 -0.03 0.00 0.03 0.00 0.00 46.19 46.92 2rpr s LEU 14 CO 0.15 -0.55 -0.20 -0.13 0.23 0.00 0.00 176.35 175.86 2rpr s ARG 15 N -2.85 2.24 0.46 1.70 3.00 -1.26 -0.32 118.95 121.92 2rpr s ARG 15 Ca -0.03 -0.86 0.06 0.00 0.00 0.00 0.00 55.73 54.91 2rpr s ARG 15 Cb 0.00 -2.20 -0.02 0.00 0.00 0.00 0.00 34.95 32.73 2rpr s ARG 15 CO -0.06 0.58 0.25 0.95 0.00 0.00 0.00 175.30 177.02 2rpr s THR 16 N -0.74 2.05 -0.13 0.02 -4.23 -0.06 -4.96 115.64 107.58 2rpr s THR 16 Ca 0.12 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.04 2rpr s THR 16 Cb -0.10 -2.68 -0.11 0.00 1.34 0.00 0.00 72.50 70.94 2rpr s THR 16 CO 0.01 0.00 -0.06 -1.54 -0.54 0.00 0.00 174.62 172.49 2rpr n SER 17 N -1.42 2.61 -0.09 3.99 3.41 -1.26 -4.69 113.62 116.17 2rpr n SER 17 Ca -0.03 -0.05 -0.23 0.00 -0.26 0.00 0.00 58.87 58.31 2rpr n SER 17 Cb 0.64 0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 64.63 2rpr n SER 17 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2rpr n LEU 18 N -2.73 2.07 0.00 1.04 4.77 -1.26 -4.92 117.00 115.97 2rpr n LEU 18 Ca -0.23 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2rpr n LEU 18 Cb 0.81 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2rpr n LEU 18 CO 0.18 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2rpr n GLY 19 N 1.55 1.46 0.00 -0.72 0.00 -1.26 -5.13 105.19 101.10 2rpr n GLY 19 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 5.00 1.47 3.41 -0.02 0.00 -1.26 -4.94 105.19 108.84 2rpr n GLY 20 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.39 1.49 0.16 1.61 3.52 -1.26 -0.88 118.95 124.98 2rpr s ARG 21 Ca 0.00 -1.58 0.06 0.00 -0.13 0.00 0.00 55.73 54.08 2rpr s ARG 21 Cb 0.00 -1.63 -0.04 0.00 -1.56 0.00 0.00 34.95 31.71 2rpr s ARG 21 CO 0.00 0.33 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.63 2rpr s PHE 22 N -2.14 1.45 -0.19 5.12 0.08 0.56 -4.66 117.98 118.20 2rpr s PHE 22 Ca 0.23 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.64 2rpr s PHE 22 Cb -0.06 -0.72 0.04 0.00 -0.57 0.00 0.00 43.02 41.71 2rpr s PHE 22 CO 0.10 0.19 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.12 2rpr s LEU 23 N -3.03 2.26 -0.33 -0.37 2.96 -0.95 -1.46 118.68 117.76 2rpr s LEU 23 Ca 0.17 -0.82 -0.20 0.00 -0.22 0.00 0.00 54.13 53.05 2rpr s LEU 23 Cb -0.01 -1.30 -0.00 0.00 0.50 0.00 0.00 46.19 45.38 2rpr s LEU 23 CO 0.03 -0.11 0.63 -0.69 -1.32 0.00 0.00 176.35 174.90 2rpr s VAL 24 N 1.37 4.92 -0.19 1.68 1.01 -0.24 -1.66 120.40 127.29 2rpr s VAL 24 Ca 0.00 0.74 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 2rpr s VAL 24 Cb -0.15 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.26 2rpr s VAL 24 CO -0.09 -0.22 0.43 -2.28 0.00 0.00 0.00 175.10 172.94 2rpr s HIS 25 N 2.65 -0.70 -1.16 5.22 5.04 -1.12 -3.84 115.29 121.38 2rpr s HIS 25 Ca 0.25 1.42 -0.06 0.00 -1.54 0.00 0.00 55.06 55.13 2rpr s HIS 25 Cb -0.15 0.30 0.01 0.00 0.04 0.00 0.00 32.58 32.78 2rpr s HIS 25 CO 0.13 -0.40 1.01 0.39 -2.34 0.00 0.00 174.74 173.53 2rpr n GLU 26 N 4.64 -6.75 -2.21 2.88 -0.58 -1.26 -1.82 120.64 115.54 2rpr n GLU 26 Ca -0.18 0.74 -0.16 0.00 -0.42 0.00 0.00 57.16 57.14 2rpr n GLU 26 Cb 0.54 -5.50 -0.02 0.00 -0.57 0.00 0.00 31.44 25.89 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 -2.61 -4.65 -3.41 1.62 7.64 -1.26 -4.89 113.62 106.06 2rpr n SER 27 Ca -0.07 0.17 -0.19 0.00 1.01 0.00 0.00 58.87 59.79 2rpr n SER 27 Cb 0.58 -3.97 -0.05 0.00 -1.01 0.00 0.00 64.21 59.76 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 -3.29 0.40 -4.13 1.43 3.72 -0.75 -3.93 117.46 110.90 2rpr n PHE 28 Ca -0.18 -1.75 -0.18 0.00 -0.05 0.00 0.00 57.45 55.29 2rpr n PHE 28 Cb 0.62 -0.10 -0.16 0.00 -0.94 0.00 0.00 39.48 38.90 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 1.45 0.32 4.37 1.43 -1.26 -2.79 118.68 122.21 2rpr s LEU 29 Ca 0.08 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2rpr s LEU 29 Cb 0.00 -0.37 -0.06 0.00 0.03 0.00 0.00 46.19 45.79 2rpr s LEU 29 CO 0.06 -0.03 0.03 -0.31 0.23 0.00 0.00 176.35 176.32 2rpr s TYR 30 N 0.70 2.02 -0.02 0.29 1.51 -0.66 -0.26 117.35 120.93 2rpr s TYR 30 Ca -0.09 -0.87 0.05 0.00 -1.01 0.00 0.00 57.07 55.15 2rpr s TYR 30 Cb -0.12 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 2rpr s TYR 30 CO -0.00 0.12 -0.15 1.03 -1.11 0.00 0.00 175.55 175.43 2rpr s ARG 31 N -3.83 1.33 -0.20 -0.62 0.52 0.20 -2.23 118.95 114.11 2rpr s ARG 31 Ca 0.35 -0.55 -0.29 0.00 -0.52 0.00 0.00 55.73 54.72 2rpr s ARG 31 Cb 0.08 -1.26 -0.05 0.00 0.52 0.00 0.00 34.95 34.25 2rpr s ARG 31 CO 0.15 0.30 2.00 0.21 0.02 0.00 0.00 175.30 177.98 2rpr s LYS 32 N -0.26 3.43 -0.14 3.54 2.20 -1.26 -0.78 119.74 126.48 2rpr s LYS 32 Ca 0.04 1.95 -0.09 0.00 -0.36 0.00 0.00 55.97 57.50 2rpr s LYS 32 Cb -0.07 -4.25 -0.05 0.00 -1.51 0.00 0.00 37.83 31.95 2rpr s LYS 32 CO -0.00 -1.75 -0.04 1.49 -0.36 0.00 0.00 175.35 174.69 2rpr h GLU 33 N 13.25 0.00 0.00 4.03 4.81 -1.10 -3.48 114.58 132.09 2rpr h GLU 33 Ca -0.40 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.58 2rpr h GLU 33 Cb 1.21 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 2rpr h GLU 33 CO 0.98 0.16 -0.17 0.36 -0.73 0.00 0.00 179.01 179.61 2rpr n LYS 34 N -4.64 0.51 -3.68 1.92 2.85 -1.22 -5.00 118.16 108.89 2rpr n LYS 34 Ca -0.08 -2.29 -0.15 0.00 -1.05 0.00 0.00 58.31 54.74 2rpr n LYS 34 Cb 0.25 2.13 -0.15 0.00 -0.65 0.00 0.00 35.03 36.61 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 -2.63 -0.29 -0.47 0.58 0.00 -1.26 -0.73 121.76 116.96 2rpr s ALA 35 Ca 0.25 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.85 2rpr s ALA 35 Cb -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2rpr s ALA 35 CO 0.18 -0.51 2.90 0.00 0.00 0.00 0.00 175.76 178.32 2rpr n ALA 36 N 5.13 6.50 0.00 0.00 0.00 0.13 -4.84 120.51 127.43 2rpr n ALA 36 Ca -0.09 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.42 2rpr n ALA 36 Cb 0.50 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 1.30 1.22 0.04 0.00 0.00 -1.26 -3.46 105.19 103.02 2rpr n GLY 37 Ca 0.50 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 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 2.78 -3.50 1.61 4.71 -1.26 -5.02 120.64 119.95 2rpr n GLU 38 Ca 0.00 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.86 2rpr n GLU 38 Cb 0.00 -1.18 -0.03 0.00 -1.01 0.00 0.00 31.44 29.21 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 -2.17 3.60 -0.16 3.49 1.02 -1.22 -4.31 119.74 119.98 2rpr s LYS 39 Ca -0.04 -0.11 -0.01 0.00 0.02 0.00 0.00 55.97 55.84 2rpr s LYS 39 Cb 0.02 -2.74 0.04 0.00 -0.52 0.00 0.00 37.83 34.64 2rpr s LYS 39 CO 0.29 0.31 -0.05 0.08 -0.92 0.00 0.00 175.35 175.07 2rpr s VAL 40 N -1.94 1.09 0.31 3.17 1.01 0.23 0.20 120.40 124.46 2rpr s VAL 40 Ca 0.42 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 2rpr s VAL 40 Cb -0.11 -1.27 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 2rpr s VAL 40 CO 0.28 0.13 0.91 -0.31 0.00 0.00 0.00 175.10 176.12 2rpr s TYR 41 N 1.64 3.70 0.15 5.22 1.51 0.09 -0.96 117.35 128.70 2rpr s TYR 41 Ca 0.01 1.74 0.02 0.00 -1.01 0.00 0.00 57.07 57.82 2rpr s TYR 41 Cb -0.15 -2.89 -0.04 0.00 -0.11 0.00 0.00 41.96 38.77 2rpr s TYR 41 CO -0.08 0.24 -0.02 -1.58 -1.11 0.00 0.00 175.55 173.00 2rpr s TRP 42 N -1.59 1.13 -0.12 2.71 0.52 0.26 -0.48 118.94 121.38 2rpr s TRP 42 Ca 0.49 -0.99 -0.07 0.00 0.02 0.00 0.00 56.10 55.55 2rpr s TRP 42 Cb -0.19 -0.64 0.05 0.00 -1.15 0.00 0.00 33.47 31.54 2rpr s TRP 42 CO 0.24 -0.19 0.30 0.00 0.02 0.00 0.00 176.95 177.31 2rpr s MET 43 N -3.89 0.28 -0.45 4.98 0.23 0.04 -1.26 119.30 119.23 2rpr s MET 43 Ca 0.21 0.58 -0.44 0.00 -1.03 0.00 0.00 55.69 55.01 2rpr s MET 43 Cb 0.06 -0.05 -0.18 0.00 -1.53 0.00 0.00 34.83 33.13 2rpr s MET 43 CO 0.02 -0.14 1.88 0.00 -2.03 0.00 0.00 175.02 174.75 2rpr h ARG 45 N 7.56 0.00 -1.12 0.00 0.11 -0.87 0.15 114.38 120.21 2rpr h ARG 45 Ca -0.30 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.55 2rpr h ARG 45 Cb 1.38 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.33 2rpr h ARG 45 CO 1.02 0.00 0.29 -0.25 0.10 0.00 0.00 179.97 181.13 2rpr n ASP 46 N -2.64 3.93 0.08 0.08 8.00 -1.26 -4.08 116.55 120.65 2rpr n ASP 46 Ca -0.01 -2.73 0.12 0.00 0.71 0.00 0.00 54.79 52.88 2rpr n ASP 46 Cb 0.48 -0.73 0.29 0.00 -0.02 0.00 0.00 41.12 41.14 2rpr n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rpr n GLN 47 N -0.04 0.26 -0.11 -1.24 0.00 0.53 -0.78 117.38 116.00 2rpr n GLN 47 Ca 0.25 0.14 -0.24 0.00 0.00 0.00 0.00 57.00 57.14 2rpr n GLN 47 Cb 0.90 -1.73 -0.11 0.00 0.00 0.00 0.00 30.24 29.30 2rpr n GLN 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2rpr n ALA 48 N -1.79 1.15 -0.07 2.61 0.00 -1.26 -3.44 120.51 117.71 2rpr n ALA 48 Ca 0.04 -0.94 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 2rpr n ALA 48 Cb 0.43 -0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.62 0.00 -0.29 0.00 2.43 -1.84 -3.35 114.38 110.71 2rpr h ARG 49 Ca -0.58 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 2rpr h ARG 49 Cb 1.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 2rpr h ARG 49 CO -0.24 0.48 0.00 1.28 -1.51 0.00 0.00 179.97 179.97 2rpr n LEU 50 N -4.62 1.60 -3.54 3.80 4.77 -0.72 -4.90 117.00 113.39 2rpr n LEU 50 Ca -0.11 -0.79 -0.23 0.00 -0.03 0.00 0.00 56.01 54.84 2rpr n LEU 50 Cb 0.33 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2rpr n LEU 50 CO 0.15 0.39 -0.07 0.61 -1.33 0.00 0.00 177.39 177.15 2rpr n GLY 51 N 0.99 -0.46 3.69 -0.72 0.00 -0.73 -4.85 105.19 103.11 2rpr n GLY 51 Ca 0.11 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 5.03 4.52 -2.17 0.00 0.00 -1.26 -3.73 116.66 119.04 2rpr n ARG 53 Ca 0.09 -3.09 -0.42 0.00 -0.00 0.00 0.00 57.85 54.43 2rpr n ARG 53 Cb 0.48 -2.17 -0.03 0.00 -0.00 0.00 0.00 32.46 30.74 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 -0.96 6.81 0.24 2.89 0.15 -1.25 -4.80 113.70 116.78 2rpr s SER 54 Ca 0.53 2.19 0.10 0.00 0.70 0.00 0.00 55.95 59.47 2rpr s SER 54 Cb 0.40 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 62.09 2rpr s SER 54 CO 0.16 -0.74 -0.18 -0.13 1.20 0.00 0.00 173.24 173.55 2rpr s ARG 55 N 2.29 1.53 -0.03 5.44 3.00 -1.26 -0.67 118.95 129.26 2rpr s ARG 55 Ca 0.65 -1.68 -0.18 0.00 0.00 0.00 0.00 55.73 54.52 2rpr s ARG 55 Cb -0.33 -1.53 0.03 0.00 0.00 0.00 0.00 34.95 33.12 2rpr s ARG 55 CO 0.28 0.28 0.39 0.00 0.00 0.00 0.00 175.30 176.25 2rpr s ALA 56 N -2.61 -0.99 -0.10 2.13 0.00 -0.39 0.12 121.76 119.92 2rpr s ALA 56 Ca 0.26 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2rpr s ALA 56 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2rpr s ALA 56 CO 0.12 -0.28 -0.20 0.42 0.00 0.00 0.00 175.76 175.82 2rpr s ILE 57 N -1.22 2.45 0.03 0.00 1.01 0.25 0.93 121.20 124.65 2rpr s ILE 57 Ca -0.12 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.70 2rpr s ILE 57 Cb -0.04 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2rpr s ILE 57 CO 0.05 0.55 -0.17 0.42 0.00 0.00 0.00 174.94 175.79 2rpr s THR 58 N 0.23 2.87 -0.38 2.92 -4.23 -0.14 0.19 115.64 117.10 2rpr s THR 58 Ca -0.13 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2rpr s THR 58 Cb -0.16 -2.20 0.12 0.00 1.34 0.00 0.00 72.50 71.59 2rpr s THR 58 CO 0.07 0.36 0.17 -1.58 -0.54 0.00 0.00 174.62 173.10 2rpr s GLN 59 N -1.38 1.04 1.13 3.99 0.74 -1.11 -0.60 119.66 123.46 2rpr s GLN 59 Ca 0.15 -1.59 0.00 0.00 0.05 0.00 0.00 55.36 53.97 2rpr s GLN 59 Cb -0.11 -2.21 0.00 0.00 1.10 0.00 0.00 33.01 31.79 2rpr s GLN 59 CO 0.05 -1.08 0.00 0.41 -0.55 0.00 0.00 175.29 174.12 2rpr n GLY 60 N 4.14 2.19 0.00 2.59 0.00 -1.26 -2.67 105.19 110.18 2rpr n GLY 60 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.27 1.61 -0.00 -1.26 -5.03 115.22 107.27 2rpr n HIS 61 Ca 0.00 -0.16 -0.21 0.00 -0.00 0.00 0.00 57.72 57.35 2rpr n HIS 61 Cb 0.00 -0.02 0.03 0.00 -0.00 0.00 0.00 29.99 30.01 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 -0.32 2.37 -0.02 1.57 1.70 -1.09 -2.83 118.95 120.34 2rpr s ARG 62 Ca 0.00 -1.68 -0.17 0.00 -0.47 0.00 0.00 55.73 53.42 2rpr s ARG 62 Cb 0.00 -2.51 0.03 0.00 -0.57 0.00 0.00 34.95 31.90 2rpr s ARG 62 CO 0.00 -0.69 0.35 -1.50 -1.08 0.00 0.00 175.30 172.38 2rpr s ILE 63 N -2.64 0.05 -0.00 4.99 2.07 -1.26 -2.74 121.20 121.67 2rpr s ILE 63 Ca 0.54 -0.41 0.01 0.00 -1.41 0.00 0.00 60.65 59.37 2rpr s ILE 63 Cb -0.05 -0.66 -0.00 0.00 0.13 0.00 0.00 42.46 41.88 2rpr s ILE 63 CO 0.33 -0.23 -0.02 -0.04 -1.91 0.00 0.00 174.94 173.07 2rpr s MET 64 N -1.29 0.19 -0.07 3.50 -1.94 0.50 -4.93 119.30 115.26 2rpr s MET 64 Ca -0.13 -0.09 -0.06 0.00 -1.71 0.00 0.00 55.69 53.70 2rpr s MET 64 Cb -0.05 -0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.58 2rpr s MET 64 CO 0.05 0.05 0.18 0.08 -0.01 0.00 0.00 175.02 175.36 2rpr s VAL 65 N -0.07 5.45 -0.10 -6.03 1.01 -1.26 0.88 120.40 120.28 2rpr s VAL 65 Ca 0.01 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 2rpr s VAL 65 Cb -0.01 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2rpr s VAL 65 CO -0.00 0.51 -0.23 0.23 0.00 0.00 0.00 175.10 175.61 2rpr n MET 66 N 1.59 0.34 -3.25 2.72 2.81 0.12 -4.90 117.12 116.55 2rpr n MET 66 Ca -0.16 0.14 -0.18 0.00 -1.81 0.00 0.00 57.70 55.69 2rpr n MET 66 Cb 0.54 -1.08 -0.02 0.00 -0.71 0.00 0.00 33.22 31.95 2rpr n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2rpr n ARG 67 N -3.89 1.14 -1.97 0.03 1.74 -1.23 -4.95 116.66 107.52 2rpr n ARG 67 Ca -0.09 -2.13 -0.12 0.00 -0.77 0.00 0.00 57.85 54.74 2rpr n ARG 67 Cb 0.33 0.41 0.05 0.00 -1.02 0.00 0.00 32.46 32.23 2rpr n ARG 67 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2rpr n SER 68 N -1.54 1.04 -4.33 0.55 3.41 -1.26 -4.60 113.62 106.89 2rpr n SER 68 Ca -0.07 -1.79 -0.32 0.00 -0.26 0.00 0.00 58.87 56.43 2rpr n SER 68 Cb 0.38 -0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.32 2.56 -1.32 7.33 0.09 -1.26 -3.96 115.29 117.41 2rpr s HIS 69 Ca 0.36 -0.59 0.09 0.00 -0.00 0.00 0.00 55.06 54.92 2rpr s HIS 69 Cb -0.03 -1.65 0.38 0.00 -0.00 0.00 0.00 32.58 31.28 2rpr s HIS 69 CO 0.24 -0.13 1.21 0.00 -0.00 0.00 0.00 174.74 176.05 2rpr s HIS 71 N -1.69 0.48 0.23 0.00 -3.43 -1.26 -5.09 115.29 104.53 2rpr s HIS 71 Ca 0.26 -0.92 -0.05 0.00 -0.80 0.00 0.00 55.06 53.56 2rpr s HIS 71 Cb 0.17 -0.26 -0.05 0.00 -1.43 0.00 0.00 32.58 31.01 2rpr s HIS 71 CO 0.13 -0.52 0.48 -0.65 -2.00 0.00 0.00 174.74 172.18 2rpr s GLN 72 N -3.94 3.64 0.66 -0.38 -1.52 -1.26 -5.08 119.66 111.77 2rpr s GLN 72 Ca 0.12 -0.04 -0.15 0.00 -1.95 0.00 0.00 55.36 53.35 2rpr s GLN 72 Cb 0.06 -2.73 -0.00 0.00 -0.22 0.00 0.00 33.01 30.12 2rpr s GLN 72 CO -0.06 0.32 1.11 -1.25 -0.25 0.00 0.00 175.29 175.17 2rpr s PRO 73 N -3.19 2.81 -0.51 2.91 0.04 -1.26 -5.03 135.00 130.76 2rpr s PRO 73 Ca 0.43 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.90 2rpr s PRO 73 Cb -0.11 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.64 2rpr s PRO 73 CO 0.27 -1.24 0.37 -0.51 0.04 0.00 0.00 177.00 175.93 2rpr s ASP 74 N -2.57 3.05 0.42 6.66 1.01 -1.25 -4.94 116.67 119.05 2rpr s ASP 74 Ca 0.67 -3.22 0.20 0.00 0.71 0.00 0.00 52.55 50.91 2rpr s ASP 74 Cb -0.21 -0.95 1.07 0.00 1.01 0.00 0.00 42.92 43.84 2rpr s ASP 74 CO 0.41 -0.16 1.54 -0.07 0.21 0.00 0.00 175.17 177.10 2rpr h LEU 75 N 5.81 0.00 0.09 1.23 3.38 -1.96 -0.93 115.31 122.94 2rpr h LEU 75 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2rpr h LEU 75 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2rpr h LEU 75 CO 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.99 2rpr h ALA 76 N 1.38 -0.12 -0.00 1.53 0.00 -1.99 -1.54 119.26 118.52 2rpr h ALA 76 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 2rpr h ALA 76 Cb 0.51 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2rpr h ALA 76 CO 0.00 -0.24 -0.65 0.78 0.00 0.00 0.00 179.25 179.14 2rpr h GLY 77 N -0.78 0.01 0.67 0.00 0.00 -1.64 -2.83 103.07 98.51 2rpr h GLY 77 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 2rpr h GLY 77 CO 0.02 0.01 -0.29 -2.00 0.00 0.00 0.00 176.54 174.28 2rpr h LEU 78 N 0.01 0.38 -1.31 3.11 5.85 -1.40 -3.22 115.31 118.72 2rpr h LEU 78 Ca -0.01 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 2rpr h LEU 78 Cb 1.14 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2rpr h LEU 78 CO 0.08 0.95 0.39 -0.33 -0.34 0.00 0.00 178.44 179.19 2rpr h GLU 79 N -0.17 0.85 -0.41 1.25 5.08 -1.31 -1.67 114.58 118.20 2rpr h GLU 79 Ca -0.02 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2rpr h GLU 79 Cb 0.93 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2rpr h GLU 79 CO 0.06 0.59 0.28 0.00 -1.00 0.00 0.00 179.01 178.95 2rpr h ALA 80 N 1.56 2.06 -0.11 3.43 0.00 -1.51 0.40 119.26 125.09 2rpr h ALA 80 Ca 0.23 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 2rpr h ALA 80 Cb -0.04 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2rpr h ALA 80 CO -0.04 -0.15 -0.58 -0.07 0.00 0.00 0.00 179.25 178.40 2rpr h LEU 81 N 0.25 0.70 -0.51 0.00 3.38 -1.34 0.04 115.31 117.83 2rpr h LEU 81 Ca 0.19 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2rpr h LEU 81 Cb 0.41 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2rpr h LEU 81 CO -0.04 1.23 -0.06 0.03 0.09 0.00 0.00 178.44 179.70 2rpr h ARG 82 N 0.21 0.00 0.14 1.13 -0.00 -1.19 -2.65 114.38 112.03 2rpr h ARG 82 Ca -0.04 0.00 -0.34 0.00 -0.50 0.00 0.00 59.98 59.10 2rpr h ARG 82 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.19 2rpr h ARG 82 CO 0.12 0.06 -1.77 0.37 0.00 0.00 0.00 179.97 178.75 2rpr h GLN 83 N 0.00 0.29 0.00 0.04 4.15 -0.20 -3.15 115.11 116.24 2rpr h GLN 83 Ca -0.00 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2rpr h GLN 83 Cb 0.87 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.74 2rpr h GLN 83 CO 0.01 1.17 0.00 2.89 -1.93 0.00 0.00 178.83 180.97 2rpr n ARG 84 N -3.48 0.26 -0.04 1.69 -4.01 -0.00 -4.03 116.66 107.05 2rpr n ARG 84 Ca -0.24 0.01 -0.03 0.00 -1.04 0.00 0.00 57.85 56.55 2rpr n ARG 84 Cb 1.06 -1.50 -0.01 0.00 -3.04 0.00 0.00 32.46 28.97 2rpr n ARG 84 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2rpr n GLU 85 N -1.36 0.27 -0.74 2.89 -0.58 -1.00 -4.99 120.64 115.13 2rpr n GLU 85 Ca 0.11 0.35 -0.29 0.00 -0.42 0.00 0.00 57.16 56.91 2rpr n GLU 85 Cb 0.27 -1.25 0.25 0.00 -0.57 0.00 0.00 31.44 30.14 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 -1.81 -1.42 0.00 3.49 0.52 -1.19 -5.11 118.95 113.43 2rpr s ARG 86 Ca -0.10 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 2rpr s ARG 86 Cb 0.01 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.95 2rpr s ARG 86 CO 0.15 -3.93 0.14 -0.11 0.02 0.00 0.00 175.30 171.58