#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 0.66 -4.51 1.61 7.64 -1.26 -5.05 113.62 112.72 2rpr n SER 2 Ca 0.00 0.09 -0.48 0.00 1.01 0.00 0.00 58.87 59.49 2rpr n SER 2 Cb 0.00 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 2rpr n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2rpr n SER 3 N -3.33 0.21 -2.10 6.43 2.88 -1.26 -4.96 113.62 111.48 2rpr n SER 3 Ca -0.03 1.15 -0.01 0.00 -1.33 0.00 0.00 58.87 58.65 2rpr n SER 3 Cb 0.30 -1.11 0.01 0.00 -0.75 0.00 0.00 64.21 62.65 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 1.70 -0.68 3.44 0.46 0.00 -1.26 -5.03 105.19 103.83 2rpr n GLY 4 Ca 0.15 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 2rpr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rpr s SER 5 N -1.23 6.09 -0.11 1.61 1.04 -1.26 -4.94 113.70 114.90 2rpr s SER 5 Ca 0.04 -0.96 -0.24 0.00 0.48 0.00 0.00 55.95 55.27 2rpr s SER 5 Cb -0.00 -2.15 -0.27 0.00 0.10 0.00 0.00 66.02 63.69 2rpr s SER 5 CO 0.02 -0.47 0.73 0.28 0.98 0.00 0.00 173.24 174.78 2rpr h SER 6 N 8.63 0.22 0.00 7.02 0.02 -2.04 -3.46 113.55 123.93 2rpr h SER 6 Ca -0.27 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.77 2rpr h SER 6 Cb 1.12 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2rpr h SER 6 CO 0.74 1.28 0.00 0.61 -1.14 0.00 0.00 176.83 178.32 2rpr n GLY 7 N 1.63 0.14 3.16 -3.77 0.00 -1.26 -4.56 105.19 100.53 2rpr n GLY 7 Ca -0.16 0.43 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 2rpr n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rpr s LEU 8 N 0.00 2.20 0.18 0.99 2.34 -1.26 -5.14 118.68 117.99 2rpr s LEU 8 Ca 0.00 -0.51 -0.17 0.00 0.06 0.00 0.00 54.13 53.51 2rpr s LEU 8 Cb 0.00 -0.60 -0.08 0.00 -0.56 0.00 0.00 46.19 44.95 2rpr s LEU 8 CO 0.00 0.01 0.64 -0.13 -1.06 0.00 0.00 176.35 175.81 2rpr s ARG 9 N -1.33 4.13 0.00 1.48 1.81 -1.26 -4.97 118.95 118.82 2rpr s ARG 9 Ca 0.01 0.70 0.00 0.00 -1.72 0.00 0.00 55.73 54.72 2rpr s ARG 9 Cb -0.09 -2.94 0.00 0.00 -0.45 0.00 0.00 34.95 31.48 2rpr s ARG 9 CO 0.02 0.45 0.00 -0.35 -0.68 0.00 0.00 175.30 174.74 2rpr n PRO 10 N 0.85 0.00 -3.77 3.54 -0.04 -1.20 -2.36 135.00 132.03 2rpr n PRO 10 Ca -0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 2rpr n PRO 10 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.02 -0.05 1.53 2.96 -0.90 -4.40 118.68 117.85 2rpr s LEU 11 Ca 0.00 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2rpr s LEU 11 Cb 0.00 2.21 -0.03 0.00 0.50 0.00 0.00 46.19 48.88 2rpr s LEU 11 CO 0.00 -1.10 -0.11 -0.70 -1.32 0.00 0.00 176.35 173.12 2rpr s GLU 12 N -3.89 2.57 0.24 1.98 2.12 -1.23 -5.08 118.70 115.41 2rpr s GLU 12 Ca 0.10 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.79 2rpr s GLU 12 Cb -0.02 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 2rpr s GLU 12 CO -0.01 0.63 0.18 -0.06 -0.54 0.00 0.00 175.26 175.46 2rpr s PHE 13 N -0.80 1.36 0.15 5.30 0.08 -1.26 -1.63 117.98 121.18 2rpr s PHE 13 Ca 0.13 -1.46 -0.14 0.00 0.12 0.00 0.00 56.93 55.57 2rpr s PHE 13 Cb -0.11 -0.62 0.02 0.00 -0.57 0.00 0.00 43.02 41.74 2rpr s PHE 13 CO 0.02 -0.70 0.38 -0.51 -0.10 0.00 0.00 175.22 174.30 2rpr s LEU 14 N -3.23 0.60 0.08 -0.37 1.43 0.80 -4.79 118.68 113.20 2rpr s LEU 14 Ca 0.39 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 2rpr s LEU 14 Cb 0.06 1.65 -0.03 0.00 0.03 0.00 0.00 46.19 47.90 2rpr s LEU 14 CO 0.17 -0.90 -0.17 0.00 0.23 0.00 0.00 176.35 175.68 2rpr s ARG 15 N -3.87 0.97 0.19 1.70 1.70 -1.26 0.37 118.95 118.75 2rpr s ARG 15 Ca 0.08 -1.05 0.06 0.00 -0.47 0.00 0.00 55.73 54.35 2rpr s ARG 15 Cb 0.02 -1.10 -0.04 0.00 -0.57 0.00 0.00 34.95 33.26 2rpr s ARG 15 CO -0.07 0.25 0.12 0.95 -1.08 0.00 0.00 175.30 175.48 2rpr s THR 16 N -1.21 4.31 0.11 4.99 -4.23 0.32 -4.88 115.64 115.06 2rpr s THR 16 Ca 0.02 -1.24 -0.21 0.00 -1.18 0.00 0.00 61.69 59.08 2rpr s THR 16 Cb -0.10 -3.23 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 2rpr s THR 16 CO 0.03 -0.17 1.15 -1.20 -0.54 0.00 0.00 174.62 173.89 2rpr n SER 17 N -0.51 -0.72 -3.11 3.99 7.64 -1.26 -4.22 113.62 115.43 2rpr n SER 17 Ca -0.08 1.31 -0.14 0.00 1.01 0.00 0.00 58.87 60.97 2rpr n SER 17 Cb 0.56 -0.21 0.09 0.00 -1.01 0.00 0.00 64.21 63.63 2rpr n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2rpr n LEU 18 N -4.67 0.00 -4.43 -3.43 7.99 -1.26 -4.86 117.00 106.34 2rpr n LEU 18 Ca 0.01 -0.88 -0.17 0.00 -0.01 0.00 0.00 56.01 54.96 2rpr n LEU 18 Cb 0.18 -0.46 -0.11 0.00 -0.11 0.00 0.00 43.42 42.92 2rpr n LEU 18 CO -0.11 -0.90 1.10 0.61 -1.51 0.00 0.00 177.39 176.58 2rpr n GLY 19 N 0.69 -0.35 3.26 -0.72 0.00 -1.26 -4.79 105.19 102.02 2rpr n GLY 19 Ca 0.09 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 7.99 -0.19 -0.03 -0.02 0.00 -1.26 -5.02 107.32 108.78 2rpr s GLY 20 Ca 0.76 0.46 -0.01 0.00 0.00 0.00 0.00 44.72 45.94 2rpr s GLY 20 CO 0.20 0.25 0.06 -1.60 0.00 0.00 0.00 173.10 172.01 2rpr s ARG 21 N -1.16 -0.01 0.26 2.90 6.06 -1.26 -0.52 118.95 125.22 2rpr s ARG 21 Ca -0.12 0.26 0.07 0.00 -2.50 0.00 0.00 55.73 53.43 2rpr s ARG 21 Cb -0.05 -0.25 -0.03 0.00 0.06 0.00 0.00 34.95 34.68 2rpr s ARG 21 CO 0.04 -0.18 0.22 -0.06 -2.50 0.00 0.00 175.30 172.82 2rpr s PHE 22 N 1.20 3.11 -0.14 5.12 0.08 0.16 -4.56 117.98 122.96 2rpr s PHE 22 Ca -0.08 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 56.87 2rpr s PHE 22 Cb -0.13 -1.46 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 2rpr s PHE 22 CO -0.04 0.48 -0.21 -1.17 -0.10 0.00 0.00 175.22 174.18 2rpr s LEU 23 N -3.87 2.14 -0.23 -0.37 2.96 -0.85 -0.14 118.68 118.33 2rpr s LEU 23 Ca 0.34 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2rpr s LEU 23 Cb -0.08 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 2rpr s LEU 23 CO 0.25 0.08 0.05 -0.69 -1.32 0.00 0.00 176.35 174.73 2rpr s VAL 24 N 0.79 4.33 -0.18 1.68 1.01 -0.64 -0.60 120.40 126.80 2rpr s VAL 24 Ca -0.07 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 2rpr s VAL 24 Cb -0.16 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.27 2rpr s VAL 24 CO -0.01 0.38 0.47 -2.28 0.00 0.00 0.00 175.10 173.65 2rpr s HIS 25 N 1.24 -0.54 -1.50 5.22 5.04 -1.01 -3.55 115.29 120.19 2rpr s HIS 25 Ca 0.04 1.28 0.00 0.00 -1.54 0.00 0.00 55.06 54.84 2rpr s HIS 25 Cb -0.14 0.20 0.00 0.00 0.04 0.00 0.00 32.58 32.67 2rpr s HIS 25 CO 0.03 -0.26 0.00 0.39 -2.34 0.00 0.00 174.74 172.56 2rpr n GLU 26 N 3.00 -1.66 -1.77 2.88 1.02 -1.26 0.23 120.64 123.08 2rpr n GLU 26 Ca -0.14 0.84 -0.05 0.00 -0.02 0.00 0.00 57.16 57.79 2rpr n GLU 26 Cb 0.57 -5.29 -0.01 0.00 -0.02 0.00 0.00 31.44 26.69 2rpr n GLU 26 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2rpr n SER 27 N -1.29 -2.66 -3.37 1.62 7.64 -1.26 -4.93 113.62 109.36 2rpr n SER 27 Ca -0.17 0.04 -0.19 0.00 1.01 0.00 0.00 58.87 59.56 2rpr n SER 27 Cb 0.57 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.17 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 -3.62 0.44 -4.32 1.43 3.01 0.14 -4.26 117.46 110.28 2rpr n PHE 28 Ca -0.06 -1.62 -0.21 0.00 1.01 0.00 0.00 57.45 56.57 2rpr n PHE 28 Cb 0.42 -0.11 -0.13 0.00 -0.01 0.00 0.00 39.48 39.64 2rpr n PHE 28 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2rpr s LEU 29 N 0.00 2.22 0.27 4.37 1.43 -1.26 -2.39 118.68 123.32 2rpr s LEU 29 Ca 0.06 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2rpr s LEU 29 Cb 0.00 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 2rpr s LEU 29 CO 0.04 0.02 0.32 -0.31 0.23 0.00 0.00 176.35 176.65 2rpr s TYR 30 N -1.02 1.06 0.00 0.29 1.51 0.23 -2.72 117.35 116.71 2rpr s TYR 30 Ca 0.02 -1.26 0.02 0.00 -1.01 0.00 0.00 57.07 54.84 2rpr s TYR 30 Cb -0.09 -0.29 -0.01 0.00 -0.11 0.00 0.00 41.96 41.46 2rpr s TYR 30 CO 0.02 -0.89 -0.06 1.03 -1.11 0.00 0.00 175.55 174.54 2rpr s ARG 31 N -3.72 0.48 -0.13 -0.62 0.52 0.13 -2.00 118.95 113.61 2rpr s ARG 31 Ca 0.33 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 54.94 2rpr s ARG 31 Cb 0.03 -0.43 -0.05 0.00 0.52 0.00 0.00 34.95 35.02 2rpr s ARG 31 CO 0.16 0.11 1.87 0.21 0.02 0.00 0.00 175.30 177.68 2rpr s LYS 32 N -0.41 3.75 -0.17 3.54 2.20 -1.26 -0.43 119.74 126.95 2rpr s LYS 32 Ca -0.00 2.06 -0.14 0.00 -0.36 0.00 0.00 55.97 57.54 2rpr s LYS 32 Cb -0.04 -4.15 -0.08 0.00 -1.51 0.00 0.00 37.83 32.05 2rpr s LYS 32 CO -0.00 -1.37 -0.15 -1.91 -0.36 0.00 0.00 175.35 171.55 2rpr n GLU 33 N 7.87 0.50 -4.03 4.03 4.07 -0.10 -4.93 120.64 128.05 2rpr n GLU 33 Ca 0.22 0.45 -0.14 0.00 -0.06 0.00 0.00 57.16 57.63 2rpr n GLU 33 Cb 0.44 -1.64 -0.03 0.00 -0.06 0.00 0.00 31.44 30.16 2rpr n GLU 33 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 2rpr s LYS 34 N -2.42 2.01 -0.09 5.31 -2.85 -1.22 -5.00 119.74 115.48 2rpr s LYS 34 Ca -0.22 -1.71 -0.02 0.00 -1.00 0.00 0.00 55.97 53.01 2rpr s LYS 34 Cb 0.04 0.49 0.04 0.00 -2.06 0.00 0.00 37.83 36.33 2rpr s LYS 34 CO 0.36 -0.86 0.03 0.00 0.10 0.00 0.00 175.35 174.97 2rpr s ALA 35 N -2.83 0.60 0.35 0.59 0.00 -1.26 -0.36 121.76 118.85 2rpr s ALA 35 Ca 0.27 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.14 2rpr s ALA 35 Cb -0.02 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.36 2rpr s ALA 35 CO 0.19 -0.63 0.47 0.00 0.00 0.00 0.00 175.76 175.79 2rpr n ALA 36 N 5.18 0.68 -1.52 0.00 0.00 0.12 -4.90 120.51 120.07 2rpr n ALA 36 Ca -0.06 -1.20 -0.27 0.00 0.00 0.00 0.00 53.44 51.90 2rpr n ALA 36 Cb 0.50 0.32 -0.13 0.00 0.00 0.00 0.00 19.45 20.13 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 0.91 -0.28 2.80 0.00 0.00 -1.26 -0.26 105.19 107.11 2rpr n GLY 37 Ca 0.09 0.48 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 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 7.75 -4.01 -3.90 1.61 -0.58 -1.26 -4.99 120.64 115.25 2rpr n GLU 38 Ca 0.56 0.82 -0.09 0.00 -0.42 0.00 0.00 57.16 58.03 2rpr n GLU 38 Cb 0.27 -5.44 -0.08 0.00 -0.57 0.00 0.00 31.44 25.62 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2rpr s LYS 39 N -5.49 0.73 -0.13 3.49 1.02 0.64 -4.42 119.74 115.59 2rpr s LYS 39 Ca 0.24 -0.89 -0.03 0.00 0.02 0.00 0.00 55.97 55.30 2rpr s LYS 39 Cb -0.10 0.29 0.05 0.00 -0.52 0.00 0.00 37.83 37.54 2rpr s LYS 39 CO 0.29 -0.21 0.06 0.08 -0.92 0.00 0.00 175.35 174.65 2rpr s VAL 40 N -3.38 0.10 0.37 3.17 1.01 -0.57 0.12 120.40 121.21 2rpr s VAL 40 Ca 0.01 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 2rpr s VAL 40 Cb 0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 2rpr s VAL 40 CO -0.08 -0.06 0.97 -0.31 0.00 0.00 0.00 175.10 175.62 2rpr s TYR 41 N 2.07 3.49 0.05 5.22 1.51 0.52 -1.35 117.35 128.86 2rpr s TYR 41 Ca 0.03 1.71 0.02 0.00 -1.01 0.00 0.00 57.07 57.82 2rpr s TYR 41 Cb -0.15 -2.96 -0.03 0.00 -0.11 0.00 0.00 41.96 38.71 2rpr s TYR 41 CO -0.07 -0.09 -0.08 -1.58 -1.11 0.00 0.00 175.55 172.63 2rpr s TRP 42 N -1.75 0.72 -0.04 2.71 0.52 0.16 -0.93 118.94 120.33 2rpr s TRP 42 Ca 0.55 -0.58 0.01 0.00 0.02 0.00 0.00 56.10 56.10 2rpr s TRP 42 Cb -0.17 -0.43 0.02 0.00 -1.15 0.00 0.00 33.47 31.74 2rpr s TRP 42 CO 0.22 -0.09 -0.04 0.00 0.02 0.00 0.00 176.95 177.06 2rpr s MET 43 N -2.00 0.74 -0.44 4.98 0.23 0.43 -0.62 119.30 122.62 2rpr s MET 43 Ca -0.06 -0.08 -0.44 0.00 -1.03 0.00 0.00 55.69 54.09 2rpr s MET 43 Cb -0.07 -0.77 -0.18 0.00 -1.53 0.00 0.00 34.83 32.27 2rpr s MET 43 CO -0.01 -0.09 1.84 0.00 -2.03 0.00 0.00 175.02 174.74 2rpr h ARG 45 N 7.30 0.00 -1.53 0.00 0.11 -1.74 -1.60 114.38 116.92 2rpr h ARG 45 Ca -0.34 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.63 2rpr h ARG 45 Cb 1.37 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.39 2rpr h ARG 45 CO 1.01 0.00 0.14 -0.25 0.10 0.00 0.00 179.97 180.97 2rpr n ASP 46 N -3.02 4.83 0.11 0.08 9.92 -1.26 -3.97 116.55 123.24 2rpr n ASP 46 Ca -0.02 -2.52 0.12 0.00 -0.53 0.00 0.00 54.79 51.84 2rpr n ASP 46 Cb 0.31 -0.91 0.06 0.00 -0.64 0.00 0.00 41.12 39.94 2rpr n ASP 46 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 2rpr h GLN 47 N 0.82 0.00 0.00 -1.24 3.07 -1.28 0.28 115.11 116.76 2rpr h GLN 47 Ca 0.11 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.50 2rpr h GLN 47 Cb 1.10 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.59 2rpr h GLN 47 CO 0.25 0.00 -2.21 0.00 0.09 0.00 0.00 178.83 176.97 2rpr n ALA 48 N -2.09 1.48 -0.09 0.06 0.00 -1.25 -3.40 120.51 115.20 2rpr n ALA 48 Ca 0.01 -1.15 -0.12 0.00 0.00 0.00 0.00 53.44 52.18 2rpr n ALA 48 Cb 0.52 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.89 0.51 -0.78 0.00 0.63 -1.26 -4.45 116.66 108.43 2rpr n ARG 49 Ca -0.30 0.38 -0.01 0.00 -0.92 0.00 0.00 57.85 57.01 2rpr n ARG 49 Cb 1.12 -1.58 0.27 0.00 0.45 0.00 0.00 32.46 32.72 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 -4.49 5.05 -2.15 6.15 4.77 -0.77 -4.89 117.00 120.68 2rpr n LEU 50 Ca -0.19 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.18 2rpr n LEU 50 Cb 0.50 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2rpr n LEU 50 CO 0.14 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2rpr n GLY 51 N 0.15 -0.41 3.70 -0.72 0.00 -0.95 -4.81 105.19 102.16 2rpr n GLY 51 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 4.54 1.42 -1.49 0.00 0.00 -1.26 -3.34 116.66 116.54 2rpr n ARG 53 Ca 0.09 -0.01 -0.59 0.00 -0.00 0.00 0.00 57.85 57.34 2rpr n ARG 53 Cb 0.47 -1.30 -0.08 0.00 -0.00 0.00 0.00 32.46 31.55 2rpr n ARG 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2rpr n SER 54 N -1.46 0.20 -4.48 2.89 7.64 -1.26 -4.65 113.62 112.49 2rpr n SER 54 Ca 0.03 1.13 -0.23 0.00 1.01 0.00 0.00 58.87 60.80 2rpr n SER 54 Cb 0.28 -0.88 -0.10 0.00 -1.01 0.00 0.00 64.21 62.49 2rpr n SER 54 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2rpr s ARG 55 N 0.50 1.68 0.06 1.43 0.52 -1.26 -0.77 118.95 121.12 2rpr s ARG 55 Ca 0.90 -1.88 -0.13 0.00 -0.52 0.00 0.00 55.73 54.11 2rpr s ARG 55 Cb -1.27 -1.32 0.02 0.00 0.52 0.00 0.00 34.95 32.90 2rpr s ARG 55 CO 0.59 0.03 0.29 0.00 0.02 0.00 0.00 175.30 176.23 2rpr s ALA 56 N -2.90 -0.61 -0.13 2.13 0.00 0.21 0.41 121.76 120.86 2rpr s ALA 56 Ca 0.32 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2rpr s ALA 56 Cb 0.05 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.58 2rpr s ALA 56 CO 0.14 -0.46 -0.14 0.42 0.00 0.00 0.00 175.76 175.72 2rpr s ILE 57 N -2.96 1.48 -0.07 0.00 1.01 0.10 0.40 121.20 121.16 2rpr s ILE 57 Ca -0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 2rpr s ILE 57 Cb 0.01 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2rpr s ILE 57 CO -0.06 0.44 0.13 0.42 0.00 0.00 0.00 174.94 175.87 2rpr s THR 58 N 1.28 5.29 -0.46 2.92 -4.23 -0.45 -0.17 115.64 119.82 2rpr s THR 58 Ca -0.00 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 2rpr s THR 58 Cb -0.14 -3.36 0.15 0.00 1.34 0.00 0.00 72.50 70.48 2rpr s THR 58 CO -0.06 0.50 0.28 -1.58 -0.54 0.00 0.00 174.62 173.22 2rpr s GLN 59 N -1.37 1.31 0.81 3.99 -0.44 -0.93 -1.51 119.66 121.53 2rpr s GLN 59 Ca 0.19 -2.13 0.00 0.00 -2.50 0.00 0.00 55.36 50.92 2rpr s GLN 59 Cb -0.12 -2.24 0.00 0.00 -1.64 0.00 0.00 33.01 29.01 2rpr s GLN 59 CO 0.09 -1.22 0.00 0.41 0.50 0.00 0.00 175.29 175.08 2rpr n GLY 60 N 3.28 2.09 0.00 2.59 0.00 -1.26 -3.19 105.19 108.71 2rpr n GLY 60 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.25 1.61 -0.00 -1.26 -5.03 115.22 107.29 2rpr n HIS 61 Ca 0.00 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.98 2rpr n HIS 61 Cb 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 29.89 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 -0.07 2.50 0.03 1.57 0.52 -0.99 -2.11 118.95 120.40 2rpr s ARG 62 Ca 0.00 -1.56 -0.07 0.00 -0.52 0.00 0.00 55.73 53.58 2rpr s ARG 62 Cb 0.00 -2.55 -0.00 0.00 0.52 0.00 0.00 34.95 32.92 2rpr s ARG 62 CO 0.00 -0.52 0.14 -1.50 0.02 0.00 0.00 175.30 173.44 2rpr s ILE 63 N -2.55 0.12 0.01 1.52 2.07 -1.26 -2.20 121.20 118.90 2rpr s ILE 63 Ca 0.53 -0.96 0.01 0.00 -1.41 0.00 0.00 60.65 58.82 2rpr s ILE 63 Cb -0.06 -0.84 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 2rpr s ILE 63 CO 0.33 -0.53 -0.03 -0.32 -1.91 0.00 0.00 174.94 172.48 2rpr s MET 64 N -2.42 0.25 0.06 3.50 -2.45 0.76 -4.95 119.30 114.05 2rpr s MET 64 Ca -0.06 -0.24 -0.09 0.00 -1.25 0.00 0.00 55.69 54.05 2rpr s MET 64 Cb -0.02 -0.16 -0.05 0.00 1.25 0.00 0.00 34.83 35.85 2rpr s MET 64 CO -0.03 0.04 0.36 0.08 1.05 0.00 0.00 175.02 176.51 2rpr s VAL 65 N -0.42 5.15 -0.10 10.11 1.01 -1.26 0.00 120.40 134.89 2rpr s VAL 65 Ca -0.03 0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 2rpr s VAL 65 Cb -0.03 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2rpr s VAL 65 CO -0.00 0.31 -0.24 0.23 0.00 0.00 0.00 175.10 175.40 2rpr n MET 66 N 0.96 0.36 -4.45 2.72 2.81 0.17 -4.89 117.12 114.80 2rpr n MET 66 Ca -0.09 0.14 -0.23 0.00 -1.81 0.00 0.00 57.70 55.72 2rpr n MET 66 Cb 0.52 -1.12 -0.10 0.00 -0.71 0.00 0.00 33.22 31.81 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 -2.52 1.60 0.51 0.03 3.00 -1.24 -4.93 118.95 115.41 2rpr s ARG 67 Ca -0.20 -1.78 -0.17 0.00 0.00 0.00 0.00 55.73 53.58 2rpr s ARG 67 Cb 0.03 -1.44 -0.08 0.00 0.00 0.00 0.00 34.95 33.46 2rpr s ARG 67 CO 0.29 0.17 0.99 -1.12 0.00 0.00 0.00 175.30 175.63 2rpr s SER 68 N -3.48 6.57 -0.01 0.23 0.01 -1.26 -4.40 113.70 111.37 2rpr s SER 68 Ca 0.29 1.61 -0.16 0.00 1.31 0.00 0.00 55.95 59.00 2rpr s SER 68 Cb 0.00 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 2rpr s SER 68 CO 0.13 -0.62 0.45 -1.00 0.41 0.00 0.00 173.24 172.60 2rpr s HIS 69 N -2.55 3.70 -1.99 2.43 0.09 -1.26 -4.45 115.29 111.27 2rpr s HIS 69 Ca 0.60 1.02 0.11 0.00 -0.00 0.00 0.00 55.06 56.78 2rpr s HIS 69 Cb -0.11 -2.38 0.31 0.00 -0.00 0.00 0.00 32.58 30.41 2rpr s HIS 69 CO 0.30 0.54 1.26 0.00 -0.00 0.00 0.00 174.74 176.83 2rpr s HIS 71 N -1.53 0.42 0.54 0.00 -3.43 -1.26 -5.11 115.29 104.91 2rpr s HIS 71 Ca 0.24 -0.19 -0.15 0.00 -0.80 0.00 0.00 55.06 54.15 2rpr s HIS 71 Cb 0.12 -0.26 -0.07 0.00 -1.43 0.00 0.00 32.58 30.94 2rpr s HIS 71 CO 0.16 -0.03 1.00 1.14 -2.00 0.00 0.00 174.74 175.00 2rpr s GLN 72 N -0.50 3.86 0.68 -0.38 -2.07 -1.26 -5.04 119.66 114.94 2rpr s GLN 72 Ca -0.02 0.92 -0.14 0.00 -1.82 0.00 0.00 55.36 54.30 2rpr s GLN 72 Cb -0.04 -2.12 0.01 0.00 -1.09 0.00 0.00 33.01 29.77 2rpr s GLN 72 CO -0.00 -0.35 1.11 -1.25 -1.32 0.00 0.00 175.29 173.48 2rpr s PRO 73 N -4.30 2.70 -0.51 9.60 0.04 -1.26 -5.03 135.00 136.24 2rpr s PRO 73 Ca 0.58 1.36 0.04 0.00 0.04 0.00 0.00 61.00 63.02 2rpr s PRO 73 Cb -0.10 -1.94 0.17 0.00 0.04 0.00 0.00 34.50 32.67 2rpr s PRO 73 CO 0.36 -1.33 0.39 -0.51 0.04 0.00 0.00 177.00 175.95 2rpr s ASP 74 N -2.71 2.61 0.62 6.66 1.01 -1.26 -4.95 116.67 118.64 2rpr s ASP 74 Ca 0.66 -3.32 0.24 0.00 0.71 0.00 0.00 52.55 50.84 2rpr s ASP 74 Cb -0.20 -0.84 1.06 0.00 1.01 0.00 0.00 42.92 43.94 2rpr s ASP 74 CO 0.44 -0.14 1.53 -0.07 0.21 0.00 0.00 175.17 177.14 2rpr h LEU 75 N 5.59 0.00 -0.27 1.23 3.38 -1.96 0.68 115.31 123.95 2rpr h LEU 75 Ca 0.22 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 2rpr h LEU 75 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2rpr h LEU 75 CO 0.49 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.77 2rpr h ALA 76 N 0.85 0.40 0.09 1.53 0.00 -1.98 -0.92 119.26 119.22 2rpr h ALA 76 Ca 0.26 -0.38 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 2rpr h ALA 76 Cb 1.92 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.64 2rpr h ALA 76 CO -0.00 0.38 -1.15 0.78 0.00 0.00 0.00 179.25 179.25 2rpr h GLY 77 N 0.38 0.48 1.36 0.00 0.00 -0.10 -2.98 103.07 102.21 2rpr h GLY 77 Ca 0.05 -1.02 -0.14 0.00 0.00 0.00 0.00 47.33 46.21 2rpr h GLY 77 CO 0.06 0.90 -0.40 -2.00 0.00 0.00 0.00 176.54 175.10 2rpr h LEU 78 N 0.19 0.75 -1.13 3.11 5.85 -1.34 -2.93 115.31 119.79 2rpr h LEU 78 Ca -0.14 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 2rpr h LEU 78 Cb 1.83 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 2rpr h LEU 78 CO 0.20 1.06 -0.42 -0.33 -0.34 0.00 0.00 178.44 178.61 2rpr h GLU 79 N 0.58 0.00 -0.65 1.25 4.39 -1.24 -2.97 114.58 115.94 2rpr h GLU 79 Ca 0.05 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.76 2rpr h GLU 79 Cb 0.94 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 2rpr h GLU 79 CO 0.09 0.42 0.42 0.00 -1.16 0.00 0.00 179.01 178.78 2rpr h ALA 80 N 1.58 0.83 -0.15 3.43 0.00 -1.35 0.13 119.26 123.73 2rpr h ALA 80 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2rpr h ALA 80 Cb 0.78 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2rpr h ALA 80 CO 0.06 0.23 -0.06 -0.07 0.00 0.00 0.00 179.25 179.40 2rpr h LEU 81 N 0.86 0.32 -2.06 0.00 3.38 -1.55 -2.81 115.31 113.45 2rpr h LEU 81 Ca 0.24 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2rpr h LEU 81 Cb -0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2rpr h LEU 81 CO -0.07 0.64 -0.02 0.03 0.09 0.00 0.00 178.44 179.11 2rpr h ARG 82 N -0.01 0.00 0.00 1.13 3.08 -1.36 -2.03 114.38 115.19 2rpr h ARG 82 Ca 0.04 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 2rpr h ARG 82 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2rpr h ARG 82 CO 0.02 0.02 -0.70 0.37 -1.07 0.00 0.00 179.97 178.61 2rpr h GLN 83 N 0.00 0.00 0.00 0.04 5.75 -0.48 -3.13 115.11 117.28 2rpr h GLN 83 Ca -0.00 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 2rpr h GLN 83 Cb 0.31 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 2rpr h GLN 83 CO 0.00 0.70 -0.74 0.00 -2.65 0.00 0.00 178.83 176.14 2rpr h ARG 84 N 0.00 0.00 0.81 1.69 3.08 -1.21 -3.34 114.38 115.40 2rpr h ARG 84 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2rpr h ARG 84 Cb 1.29 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.35 2rpr h ARG 84 CO 0.09 0.74 -0.39 0.93 -1.07 0.00 0.00 179.97 180.27 2rpr h GLU 85 N 0.00 -1.04 -3.68 0.04 4.39 -1.47 -3.37 114.58 109.45 2rpr h GLU 85 Ca -0.01 0.07 -0.73 0.00 0.34 0.00 0.00 59.36 59.04 2rpr h GLU 85 Cb 1.47 0.24 -0.32 0.00 -0.10 0.00 0.00 28.75 30.04 2rpr h GLU 85 CO 0.10 -0.68 -0.21 1.03 -1.16 0.00 0.00 179.01 178.09 2rpr s ARG 86 N -5.43 2.92 0.00 2.33 1.81 -1.22 -5.15 118.95 114.21 2rpr s ARG 86 Ca -0.17 -2.50 0.00 0.00 -1.72 0.00 0.00 55.73 51.34 2rpr s ARG 86 Cb 0.02 -3.97 0.00 0.00 -0.45 0.00 0.00 34.95 30.55 2rpr s ARG 86 CO 0.53 -1.21 0.24 1.47 -0.68 0.00 0.00 175.30 175.65