#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 3.50 -0.04 1.61 0.01 -1.26 -5.11 113.70 112.41 2rpr s SER 2 Ca 0.00 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.23 2rpr s SER 2 Cb 0.00 -0.96 0.02 0.00 0.21 0.00 0.00 66.02 65.28 2rpr s SER 2 CO 0.00 -0.26 -0.05 -0.44 0.41 0.00 0.00 173.24 172.90 2rpr s SER 3 N 1.57 0.95 0.00 2.44 0.01 -1.26 -5.13 113.70 112.27 2rpr s SER 3 Ca -0.04 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2rpr s SER 3 Cb -0.18 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.63 2rpr s SER 3 CO -0.07 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2rpr n GLY 4 N 3.87 1.18 2.98 3.44 0.00 -1.26 -5.13 105.19 110.26 2rpr n GLY 4 Ca -0.24 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 3.64 -0.10 1.61 0.15 -1.26 -5.10 113.70 112.63 2rpr s SER 5 Ca 0.00 -1.03 -0.19 0.00 0.70 0.00 0.00 55.95 55.43 2rpr s SER 5 Cb 0.00 -1.24 0.04 0.00 -1.71 0.00 0.00 66.02 63.12 2rpr s SER 5 CO 0.00 -0.18 0.47 -0.94 1.20 0.00 0.00 173.24 173.79 2rpr s SER 6 N 1.37 -0.44 0.07 5.45 1.04 -1.26 -5.08 113.70 114.85 2rpr s SER 6 Ca -0.04 0.65 -0.32 0.00 0.48 0.00 0.00 55.95 56.73 2rpr s SER 6 Cb -0.17 0.69 -0.16 0.00 0.10 0.00 0.00 66.02 66.48 2rpr s SER 6 CO -0.07 -0.35 1.48 1.23 0.98 0.00 0.00 173.24 176.51 2rpr h GLY 7 N 4.41 -1.21 -7.28 7.32 0.00 -2.07 -3.36 103.07 100.88 2rpr h GLY 7 Ca -0.28 0.52 -0.63 0.00 0.00 0.00 0.00 47.33 46.94 2rpr h GLY 7 CO 0.30 -0.39 0.64 -2.27 0.00 0.00 0.00 176.54 174.82 2rpr s LEU 8 N -9.26 4.42 0.23 3.11 2.96 -1.26 -5.02 118.68 113.85 2rpr s LEU 8 Ca -0.16 -1.15 -0.17 0.00 -0.22 0.00 0.00 54.13 52.43 2rpr s LEU 8 Cb 0.03 -2.43 -0.08 0.00 0.50 0.00 0.00 46.19 44.21 2rpr s LEU 8 CO 0.52 -1.40 0.69 -0.60 -1.32 0.00 0.00 176.35 174.23 2rpr s ARG 9 N 3.94 4.13 0.29 1.98 3.52 -1.26 -5.03 118.95 126.53 2rpr s ARG 9 Ca 0.25 0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 56.53 2rpr s ARG 9 Cb -0.14 -2.79 0.07 0.00 -1.56 0.00 0.00 34.95 30.54 2rpr s ARG 9 CO 0.07 0.36 0.26 -0.35 -0.81 0.00 0.00 175.30 174.82 2rpr n PRO 10 N 0.48 -1.52 -3.66 5.12 -0.04 -1.24 -3.61 135.00 130.53 2rpr n PRO 10 Ca -0.02 -0.42 -0.15 0.00 -0.04 0.00 0.00 63.50 62.88 2rpr n PRO 10 Cb 0.52 -0.39 -0.08 0.00 -0.04 0.00 0.00 33.50 33.51 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 0.04 0.09 1.53 2.96 -1.14 -4.64 118.68 117.52 2rpr s LEU 11 Ca 0.17 0.64 0.03 0.00 -0.22 0.00 0.00 54.13 54.76 2rpr s LEU 11 Cb -0.02 1.88 -0.04 0.00 0.50 0.00 0.00 46.19 48.51 2rpr s LEU 11 CO 0.13 -0.41 0.06 -0.70 -1.32 0.00 0.00 176.35 174.12 2rpr s GLU 12 N -0.71 2.81 0.26 1.98 2.12 -1.26 -5.07 118.70 118.82 2rpr s GLU 12 Ca -0.08 -0.73 0.02 0.00 0.36 0.00 0.00 54.97 54.54 2rpr s GLU 12 Cb -0.03 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.64 2rpr s GLU 12 CO 0.05 0.56 0.15 -0.06 -0.54 0.00 0.00 175.26 175.42 2rpr s PHE 13 N -1.39 1.43 0.05 5.30 0.40 -1.26 -2.04 117.98 120.46 2rpr s PHE 13 Ca 0.29 -1.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.20 2rpr s PHE 13 Cb -0.12 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.66 2rpr s PHE 13 CO 0.21 -0.58 0.04 -0.51 0.70 0.00 0.00 175.22 175.08 2rpr s LEU 14 N -3.28 2.11 -0.10 -0.37 1.43 0.12 -4.81 118.68 113.79 2rpr s LEU 14 Ca 0.38 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2rpr s LEU 14 Cb 0.06 0.43 0.02 0.00 0.03 0.00 0.00 46.19 46.73 2rpr s LEU 14 CO 0.16 -0.56 -0.11 -0.13 0.23 0.00 0.00 176.35 175.93 2rpr s ARG 15 N -3.29 1.79 0.35 1.70 0.52 -1.26 0.65 118.95 119.41 2rpr s ARG 15 Ca 0.01 -0.40 0.09 0.00 -0.52 0.00 0.00 55.73 54.92 2rpr s ARG 15 Cb 0.03 -1.63 -0.07 0.00 0.52 0.00 0.00 34.95 33.81 2rpr s ARG 15 CO -0.08 -0.12 -0.08 -0.08 0.02 0.00 0.00 175.30 174.96 2rpr s THR 16 N 1.19 2.21 0.48 0.02 -1.32 -1.11 -4.77 115.64 112.33 2rpr s THR 16 Ca -0.04 -2.18 -0.07 0.00 -1.21 0.00 0.00 61.69 58.19 2rpr s THR 16 Cb -0.14 -2.68 0.11 0.00 -1.51 0.00 0.00 72.50 68.27 2rpr s THR 16 CO -0.03 -0.18 0.25 -1.20 -2.21 0.00 0.00 174.62 171.25 2rpr n SER 17 N -0.81 -2.29 -3.24 8.08 7.64 -1.26 -4.29 113.62 117.44 2rpr n SER 17 Ca -0.05 -0.25 -0.32 0.00 1.01 0.00 0.00 58.87 59.25 2rpr n SER 17 Cb 0.64 -0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 63.39 2rpr n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rpr n LEU 18 N 0.00 0.27 0.00 -3.43 -0.00 -1.26 -3.43 117.00 109.15 2rpr n LEU 18 Ca 0.04 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 2rpr n LEU 18 Cb 0.17 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 2rpr n LEU 18 CO 0.11 -0.53 0.00 0.61 -0.00 0.00 0.00 177.39 177.58 2rpr n GLY 19 N 4.87 0.08 0.00 1.47 0.00 -1.26 -5.15 105.19 105.19 2rpr n GLY 19 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 -0.12 3.71 -0.02 0.00 -1.22 -5.03 105.19 102.50 2rpr n GLY 20 Ca 0.00 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.47 2rpr n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rpr s ARG 21 N 0.00 2.62 0.39 1.61 3.03 -1.26 -2.77 118.95 122.57 2rpr s ARG 21 Ca 0.00 -0.83 0.07 0.00 2.03 0.00 0.00 55.73 57.00 2rpr s ARG 21 Cb 0.00 -2.57 0.00 0.00 -1.03 0.00 0.00 34.95 31.35 2rpr s ARG 21 CO 0.00 0.54 0.54 -0.06 -1.13 0.00 0.00 175.30 175.19 2rpr s PHE 22 N -1.37 2.95 -0.08 5.89 0.40 0.21 -4.13 117.98 121.84 2rpr s PHE 22 Ca 0.27 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 2rpr s PHE 22 Cb -0.12 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.20 2rpr s PHE 22 CO 0.19 -0.27 -0.10 -1.17 0.70 0.00 0.00 175.22 174.57 2rpr s LEU 23 N -4.30 1.44 -0.32 -0.37 2.96 -0.73 -0.70 118.68 116.66 2rpr s LEU 23 Ca 0.51 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.97 2rpr s LEU 23 Cb -0.10 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 2rpr s LEU 23 CO 0.33 -0.03 0.42 -0.69 -1.32 0.00 0.00 176.35 175.06 2rpr s VAL 24 N 1.10 5.11 -0.22 1.68 1.01 -0.87 -1.58 120.40 126.63 2rpr s VAL 24 Ca -0.07 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 2rpr s VAL 24 Cb -0.14 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.48 2rpr s VAL 24 CO -0.01 -0.06 0.51 -2.28 0.00 0.00 0.00 175.10 173.25 2rpr s HIS 25 N 2.17 -0.86 -1.15 5.22 5.04 -1.15 -4.11 115.29 120.45 2rpr s HIS 25 Ca 0.15 1.69 -0.06 0.00 -1.54 0.00 0.00 55.06 55.30 2rpr s HIS 25 Cb -0.16 0.43 0.01 0.00 0.04 0.00 0.00 32.58 32.90 2rpr s HIS 25 CO 0.12 -0.47 0.82 0.39 -2.34 0.00 0.00 174.74 173.26 2rpr n GLU 26 N 4.73 -5.69 -1.95 2.88 -0.58 -1.26 -1.82 120.64 116.94 2rpr n GLU 26 Ca -0.17 0.69 -0.19 0.00 -0.42 0.00 0.00 57.16 57.06 2rpr n GLU 26 Cb 0.54 -5.24 -0.05 0.00 -0.57 0.00 0.00 31.44 26.12 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 -2.01 -5.35 -3.93 1.62 7.64 -1.26 -4.88 113.62 105.46 2rpr n SER 27 Ca -0.02 0.27 -0.24 0.00 1.01 0.00 0.00 58.87 59.88 2rpr n SER 27 Cb 0.56 -4.61 -0.05 0.00 -1.01 0.00 0.00 64.21 59.10 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 -3.04 0.78 -4.32 1.43 3.72 -0.76 -4.20 117.46 111.08 2rpr n PHE 28 Ca -0.21 -1.92 -0.20 0.00 -0.05 0.00 0.00 57.45 55.06 2rpr n PHE 28 Cb 0.66 -0.22 -0.16 0.00 -0.94 0.00 0.00 39.48 38.82 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 1.61 0.33 4.37 1.43 -1.26 -2.94 118.68 122.22 2rpr s LEU 29 Ca 0.02 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 2rpr s LEU 29 Cb 0.00 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.62 2rpr s LEU 29 CO 0.02 0.02 0.06 -0.31 0.23 0.00 0.00 176.35 176.36 2rpr s TYR 30 N 0.50 2.00 -0.02 0.29 1.51 -0.61 -1.15 117.35 119.87 2rpr s TYR 30 Ca -0.08 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.07 2rpr s TYR 30 Cb -0.11 -1.31 -0.00 0.00 -0.11 0.00 0.00 41.96 40.42 2rpr s TYR 30 CO 0.01 0.03 -0.11 1.03 -1.11 0.00 0.00 175.55 175.40 2rpr s ARG 31 N -3.88 1.04 -0.26 -0.62 0.52 0.11 -1.77 118.95 114.09 2rpr s ARG 31 Ca 0.36 -0.37 -0.28 0.00 -0.52 0.00 0.00 55.73 54.92 2rpr s ARG 31 Cb 0.09 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.55 2rpr s ARG 31 CO 0.16 0.17 1.98 0.21 0.02 0.00 0.00 175.30 177.84 2rpr s LYS 32 N 0.03 3.29 -0.11 3.54 2.20 -1.26 -0.71 119.74 126.72 2rpr s LYS 32 Ca -0.01 1.74 -0.04 0.00 -0.36 0.00 0.00 55.97 57.30 2rpr s LYS 32 Cb -0.08 -4.26 -0.03 0.00 -1.51 0.00 0.00 37.83 31.95 2rpr s LYS 32 CO 0.00 -1.91 0.00 1.49 -0.36 0.00 0.00 175.35 174.58 2rpr h GLU 33 N 13.66 0.00 -4.60 4.03 4.57 -0.92 -3.48 114.58 127.84 2rpr h GLU 33 Ca -0.37 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.43 2rpr h GLU 33 Cb 1.20 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.67 2rpr h GLU 33 CO 1.00 0.08 -0.40 -1.59 -1.18 0.00 0.00 179.01 176.91 2rpr s LYS 34 N -1.77 1.75 -0.07 1.92 -2.85 -1.21 -5.01 119.74 112.49 2rpr s LYS 34 Ca -0.05 -1.88 -0.03 0.00 -1.00 0.00 0.00 55.97 53.01 2rpr s LYS 34 Cb 0.00 0.36 0.04 0.00 -2.06 0.00 0.00 37.83 36.18 2rpr s LYS 34 CO 0.10 -0.67 0.14 0.00 0.10 0.00 0.00 175.35 175.02 2rpr s ALA 35 N -3.40 -0.10 -0.23 0.59 0.00 -1.26 -0.99 121.76 116.37 2rpr s ALA 35 Ca 0.37 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.84 2rpr s ALA 35 Cb 0.02 -0.75 0.27 0.00 0.00 0.00 0.00 23.12 22.66 2rpr s ALA 35 CO 0.23 -0.52 1.57 0.00 0.00 0.00 0.00 175.76 177.05 2rpr n ALA 36 N 5.23 4.19 0.00 0.00 0.00 0.14 -4.89 120.51 125.18 2rpr n ALA 36 Ca -0.06 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.03 2rpr n ALA 36 Cb 0.50 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.05 1.72 0.00 0.00 0.00 -1.26 -3.99 105.19 101.61 2rpr n GLY 37 Ca 0.27 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 1.55 -4.51 1.61 2.13 -1.26 -4.97 120.64 115.19 2rpr n GLU 38 Ca 0.00 -0.04 -0.28 0.00 0.66 0.00 0.00 57.16 57.50 2rpr n GLU 38 Cb 0.00 -1.26 -0.13 0.00 0.27 0.00 0.00 31.44 30.32 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2rpr s LYS 39 N -2.62 1.44 -0.22 5.31 1.02 -1.26 -4.71 119.74 118.70 2rpr s LYS 39 Ca 0.02 -1.23 0.01 0.00 0.02 0.00 0.00 55.97 54.79 2rpr s LYS 39 Cb 0.11 -1.80 0.06 0.00 -0.52 0.00 0.00 37.83 35.68 2rpr s LYS 39 CO 0.63 0.44 -0.06 0.08 -0.92 0.00 0.00 175.35 175.51 2rpr s VAL 40 N -1.00 1.51 0.28 3.17 1.01 -0.98 0.26 120.40 124.64 2rpr s VAL 40 Ca 0.12 -1.14 -0.28 0.00 0.00 0.00 0.00 61.98 60.67 2rpr s VAL 40 Cb -0.10 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 2rpr s VAL 40 CO 0.04 -0.04 0.95 -0.31 0.00 0.00 0.00 175.10 175.74 2rpr s TYR 41 N 1.42 3.85 0.25 5.22 1.51 -0.17 -1.67 117.35 127.76 2rpr s TYR 41 Ca -0.05 1.86 0.04 0.00 -1.01 0.00 0.00 57.07 57.91 2rpr s TYR 41 Cb -0.18 -2.97 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 2rpr s TYR 41 CO -0.07 0.31 0.00 -1.58 -1.11 0.00 0.00 175.55 173.11 2rpr s TRP 42 N -1.35 1.66 -0.10 2.71 0.52 0.69 -0.23 118.94 122.84 2rpr s TRP 42 Ca 0.45 -0.91 -0.07 0.00 0.02 0.00 0.00 56.10 55.58 2rpr s TRP 42 Cb -0.23 -0.98 0.03 0.00 -1.15 0.00 0.00 33.47 31.14 2rpr s TRP 42 CO 0.29 -0.01 0.25 0.00 0.02 0.00 0.00 176.95 177.50 2rpr s MET 43 N -3.86 0.25 -0.37 4.98 0.23 0.11 -2.17 119.30 118.47 2rpr s MET 43 Ca 0.30 0.43 -0.36 0.00 -1.03 0.00 0.00 55.69 55.03 2rpr s MET 43 Cb 0.06 0.02 -0.12 0.00 -1.53 0.00 0.00 34.83 33.26 2rpr s MET 43 CO 0.10 -0.09 2.20 0.00 -2.03 0.00 0.00 175.02 175.20 2rpr h ARG 45 N 12.28 0.00 -1.06 0.00 0.11 -1.41 0.61 114.38 124.92 2rpr h ARG 45 Ca -0.25 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.68 2rpr h ARG 45 Cb 1.33 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.32 2rpr h ARG 45 CO 1.03 0.00 0.19 -0.25 0.10 0.00 0.00 179.97 181.04 2rpr n ASP 46 N -3.10 3.44 0.10 0.08 8.00 -1.26 -4.01 116.55 119.81 2rpr n ASP 46 Ca 0.11 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.14 2rpr n ASP 46 Cb 1.06 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.36 0.00 0.00 -1.24 3.07 0.20 0.30 115.11 117.79 2rpr h GLN 47 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.79 2rpr h GLN 47 Cb 1.47 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.00 2rpr h GLN 47 CO 0.31 0.55 -1.88 0.00 0.09 0.00 0.00 178.83 177.91 2rpr n ALA 48 N -2.28 2.29 -0.08 0.06 0.00 -1.26 -3.33 120.51 115.90 2rpr n ALA 48 Ca -0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 53.44 52.67 2rpr n ALA 48 Cb 0.80 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.55 0.48 -0.72 0.00 3.00 -1.25 -4.50 116.66 111.12 2rpr n ARG 49 Ca -0.12 0.30 -0.01 0.00 -0.00 0.00 0.00 57.85 58.02 2rpr n ARG 49 Cb 0.76 -1.47 0.25 0.00 0.00 0.00 0.00 32.46 32.01 2rpr n ARG 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2rpr n LEU 50 N -4.40 4.78 -4.24 6.15 4.77 -0.33 -4.91 117.00 118.84 2rpr n LEU 50 Ca -0.11 -2.46 -0.37 0.00 -0.03 0.00 0.00 56.01 53.04 2rpr n LEU 50 Cb 0.41 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.76 2rpr n LEU 50 CO 0.17 0.63 -0.20 0.61 -1.33 0.00 0.00 177.39 177.26 2rpr n GLY 51 N 0.14 -0.31 3.63 -0.72 0.00 -0.90 -4.84 105.19 102.18 2rpr n GLY 51 Ca 0.26 0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 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 5.52 3.38 -1.90 0.00 3.00 -1.26 -3.55 116.66 121.86 2rpr n ARG 53 Ca -0.02 -2.75 -0.42 0.00 -0.01 0.00 0.00 57.85 54.65 2rpr n ARG 53 Cb 0.49 -1.79 -0.03 0.00 0.00 0.00 0.00 32.46 31.13 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 -0.92 6.41 0.26 0.55 0.15 -1.26 -4.83 113.70 114.06 2rpr s SER 54 Ca 0.50 2.17 0.10 0.00 0.70 0.00 0.00 55.95 59.42 2rpr s SER 54 Cb 0.30 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 2rpr s SER 54 CO 0.27 -1.15 -0.06 -0.13 1.20 0.00 0.00 173.24 173.37 2rpr s ARG 55 N 4.55 2.12 0.14 5.44 0.52 -1.26 -0.84 118.95 129.62 2rpr s ARG 55 Ca 0.80 -1.49 -0.06 0.00 -0.52 0.00 0.00 55.73 54.46 2rpr s ARG 55 Cb -0.34 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.05 2rpr s ARG 55 CO 0.33 0.36 0.19 0.00 0.02 0.00 0.00 175.30 176.20 2rpr s ALA 56 N -2.30 0.27 -0.08 2.13 0.00 -0.92 -0.33 121.76 120.54 2rpr s ALA 56 Ca 0.30 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.23 2rpr s ALA 56 Cb -0.06 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.86 2rpr s ALA 56 CO 0.18 -0.57 -0.14 0.42 0.00 0.00 0.00 175.76 175.65 2rpr s ILE 57 N -3.98 1.29 -0.09 0.00 1.01 0.14 -0.22 121.20 119.35 2rpr s ILE 57 Ca 0.18 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 2rpr s ILE 57 Cb 0.05 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2rpr s ILE 57 CO -0.01 0.39 -0.07 0.42 0.00 0.00 0.00 174.94 175.67 2rpr s THR 58 N 0.69 3.70 -0.14 2.92 -4.23 -0.67 0.15 115.64 118.07 2rpr s THR 58 Ca -0.14 -0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.87 2rpr s THR 58 Cb -0.16 -2.54 0.07 0.00 1.34 0.00 0.00 72.50 71.20 2rpr s THR 58 CO 0.04 0.57 0.20 -1.10 -0.54 0.00 0.00 174.62 173.78 2rpr s GLN 59 N -0.45 0.11 3.84 3.99 -0.21 -1.15 -2.31 119.66 123.48 2rpr s GLN 59 Ca 0.07 0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.90 2rpr s GLN 59 Cb -0.12 -0.61 0.00 0.00 1.00 0.00 0.00 33.01 33.28 2rpr s GLN 59 CO 0.02 -0.44 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 2rpr n GLY 60 N 5.33 1.22 0.00 3.09 0.00 -1.26 -1.95 105.19 111.62 2rpr n GLY 60 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.51 1.61 -0.00 -1.26 -5.01 115.22 107.05 2rpr n HIS 61 Ca 0.00 -0.14 -0.13 0.00 0.46 0.00 0.00 57.72 57.91 2rpr n HIS 61 Cb 0.00 -0.01 0.01 0.00 -0.12 0.00 0.00 29.99 29.87 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 -0.14 0.98 -3.81 1.57 1.74 -0.82 -2.87 116.66 113.30 2rpr n ARG 62 Ca 0.00 -1.80 -0.10 0.00 -0.77 0.00 0.00 57.85 55.18 2rpr n ARG 62 Cb 0.22 0.10 -0.06 0.00 -1.02 0.00 0.00 32.46 31.71 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 -1.31 0.07 0.01 0.55 2.07 -1.26 -2.92 121.20 118.40 2rpr s ILE 63 Ca 0.21 -1.00 -0.02 0.00 -1.41 0.00 0.00 60.65 58.43 2rpr s ILE 63 Cb -0.02 -1.51 -0.01 0.00 0.13 0.00 0.00 42.46 41.05 2rpr s ILE 63 CO 0.14 -0.33 0.03 -0.04 -1.91 0.00 0.00 174.94 172.83 2rpr s MET 64 N -3.88 0.30 -0.12 3.50 -1.94 0.40 -4.94 119.30 112.62 2rpr s MET 64 Ca 0.09 -0.40 0.02 0.00 -1.71 0.00 0.00 55.69 53.70 2rpr s MET 64 Cb 0.02 0.12 -0.01 0.00 2.01 0.00 0.00 34.83 36.97 2rpr s MET 64 CO -0.06 -0.06 -0.18 0.08 -0.01 0.00 0.00 175.02 174.79 2rpr s VAL 65 N -1.09 2.60 -0.08 -6.03 1.01 -1.26 0.25 120.40 115.79 2rpr s VAL 65 Ca -0.12 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 2rpr s VAL 65 Cb -0.07 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2rpr s VAL 65 CO -0.00 0.54 -0.10 0.24 0.00 0.00 0.00 175.10 175.78 2rpr h MET 66 N 6.69 0.00 -5.81 2.72 2.86 -1.04 -3.48 114.93 116.86 2rpr h MET 66 Ca -0.23 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.82 2rpr h MET 66 Cb 1.22 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.81 2rpr h MET 66 CO 0.52 0.00 -0.39 0.50 1.06 0.00 0.00 176.91 178.60 2rpr s ARG 67 N -1.70 2.26 0.48 1.72 3.52 -1.23 -4.97 118.95 119.02 2rpr s ARG 67 Ca -0.08 -2.01 -0.01 0.00 -0.13 0.00 0.00 55.73 53.49 2rpr s ARG 67 Cb 0.01 -1.99 0.10 0.00 -1.56 0.00 0.00 34.95 31.51 2rpr s ARG 67 CO 0.12 -0.43 0.66 -1.13 -0.81 0.00 0.00 175.30 173.71 2rpr n SER 68 N -1.54 0.77 -4.45 -2.12 3.41 -1.26 -4.53 113.62 103.90 2rpr n SER 68 Ca -0.04 -1.68 -0.33 0.00 -0.26 0.00 0.00 58.87 56.56 2rpr n SER 68 Cb 0.65 -0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.99 2.72 -1.42 7.33 0.09 -1.26 -4.03 115.29 116.73 2rpr s HIS 69 Ca 0.43 -0.27 0.13 0.00 -0.00 0.00 0.00 55.06 55.35 2rpr s HIS 69 Cb -0.02 -1.68 0.48 0.00 -0.00 0.00 0.00 32.58 31.36 2rpr s HIS 69 CO 0.29 0.10 1.35 0.00 -0.00 0.00 0.00 174.74 176.48 2rpr s HIS 71 N -1.66 1.02 0.10 0.00 -3.43 -1.26 -5.09 115.29 104.96 2rpr s HIS 71 Ca 0.34 -1.27 0.02 0.00 -0.80 0.00 0.00 55.06 53.35 2rpr s HIS 71 Cb 0.21 -0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 30.87 2rpr s HIS 71 CO 0.18 -0.67 0.17 -0.65 -2.00 0.00 0.00 174.74 171.78 2rpr s GLN 72 N -4.13 3.18 0.53 -0.38 1.11 -1.26 -5.10 119.66 113.62 2rpr s GLN 72 Ca 0.35 -0.62 -0.20 0.00 0.01 0.00 0.00 55.36 54.90 2rpr s GLN 72 Cb 0.06 -2.87 -0.06 0.00 -1.01 0.00 0.00 33.01 29.13 2rpr s GLN 72 CO 0.10 0.56 1.13 -1.25 0.01 0.00 0.00 175.29 175.84 2rpr s PRO 73 N -2.72 3.41 -0.62 2.91 0.04 -1.26 -5.02 135.00 131.75 2rpr s PRO 73 Ca 0.33 1.62 0.05 0.00 0.04 0.00 0.00 61.00 63.03 2rpr s PRO 73 Cb -0.12 -2.05 0.17 0.00 0.04 0.00 0.00 34.50 32.53 2rpr s PRO 73 CO 0.26 -0.80 0.44 -0.51 0.04 0.00 0.00 177.00 176.42 2rpr s ASP 74 N -1.73 4.02 0.63 6.66 1.11 -1.26 -4.93 116.67 121.17 2rpr s ASP 74 Ca 0.72 -3.59 0.24 0.00 0.18 0.00 0.00 52.55 50.10 2rpr s ASP 74 Cb -0.24 -1.35 1.21 0.00 1.07 0.00 0.00 42.92 43.60 2rpr s ASP 74 CO 0.28 -0.12 1.67 -0.07 1.18 0.00 0.00 175.17 178.10 2rpr h LEU 75 N 5.57 0.00 -0.04 1.23 3.38 -1.95 0.52 115.31 124.02 2rpr h LEU 75 Ca 0.15 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 2rpr h LEU 75 Cb 0.80 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.57 2rpr h LEU 75 CO 0.63 0.00 -0.85 0.00 0.09 0.00 0.00 178.44 178.32 2rpr h ALA 76 N 1.04 0.15 0.03 1.53 0.00 -1.99 -2.74 119.26 117.29 2rpr h ALA 76 Ca 0.15 -0.63 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 2rpr h ALA 76 Cb 1.42 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2rpr h ALA 76 CO -0.00 0.58 -1.11 0.78 0.00 0.00 0.00 179.25 179.49 2rpr h GLY 77 N 0.28 0.08 1.27 0.00 0.00 -0.49 -3.08 103.07 101.13 2rpr h GLY 77 Ca -0.10 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 2rpr h GLY 77 CO 0.17 0.19 -0.30 -2.00 0.00 0.00 0.00 176.54 174.60 2rpr h LEU 78 N 0.02 0.86 -0.68 3.11 5.85 -1.03 -3.00 115.31 120.44 2rpr h LEU 78 Ca -0.06 -0.35 -0.14 0.00 0.84 0.00 0.00 57.88 58.17 2rpr h LEU 78 Cb 1.84 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 2rpr h LEU 78 CO 0.15 1.09 -0.48 -0.33 -0.34 0.00 0.00 178.44 178.53 2rpr h GLU 79 N 0.70 0.44 0.00 1.25 4.39 -1.57 -2.69 114.58 117.10 2rpr h GLU 79 Ca 0.08 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 2rpr h GLU 79 Cb 0.85 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2rpr h GLU 79 CO 0.07 0.83 -0.00 0.00 -1.16 0.00 0.00 179.01 178.75 2rpr h ALA 80 N 1.13 1.00 0.00 3.43 0.00 -1.43 -1.81 119.26 121.58 2rpr h ALA 80 Ca 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2rpr h ALA 80 Cb 0.98 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2rpr h ALA 80 CO 0.09 0.00 -1.15 1.28 0.00 0.00 0.00 179.25 179.47 2rpr n LEU 81 N -3.10 0.85 0.06 0.00 4.77 -1.03 -3.98 117.00 114.57 2rpr n LEU 81 Ca -0.01 0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 2rpr n LEU 81 Cb 0.21 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 2rpr n LEU 81 CO 0.24 -0.08 0.03 0.03 -1.33 0.00 0.00 177.39 176.29 2rpr h ARG 82 N 0.00 0.00 -0.65 3.23 3.08 -1.15 -3.33 114.38 115.57 2rpr h ARG 82 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2rpr h ARG 82 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2rpr h ARG 82 CO 0.02 0.74 0.40 -0.56 -1.07 0.00 0.00 179.97 179.49 2rpr h GLN 83 N 0.00 0.87 0.00 0.04 3.07 -1.54 0.37 115.11 117.93 2rpr h GLN 83 Ca -0.08 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.59 2rpr h GLN 83 Cb 1.73 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 29.10 2rpr h GLN 83 CO 0.10 0.62 0.00 2.89 0.09 0.00 0.00 178.83 182.53 2rpr n ARG 84 N -4.59 0.26 -0.13 0.06 1.85 -1.25 -2.87 116.66 109.99 2rpr n ARG 84 Ca 0.05 0.12 -0.18 0.00 -1.00 0.00 0.00 57.85 56.84 2rpr n ARG 84 Cb 0.05 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.84 2rpr n ARG 84 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2rpr n GLU 85 N -1.28 0.62 -0.09 2.89 4.07 -0.27 -4.32 120.64 122.27 2rpr n GLU 85 Ca 0.08 0.15 0.01 0.00 -0.06 0.00 0.00 57.16 57.35 2rpr n GLU 85 Cb 0.14 -1.50 0.05 0.00 -0.06 0.00 0.00 31.44 30.07 2rpr n GLU 85 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2rpr n ARG 86 N -3.26 1.39 0.00 5.31 1.74 -0.04 -5.04 116.66 116.75 2rpr n ARG 86 Ca -0.44 -0.41 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 2rpr n ARG 86 Cb 0.97 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 2rpr n ARG 86 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39