#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 4.71 -0.10 1.61 3.41 -1.26 -4.80 113.62 117.19 2rpr n SER 2 Ca 0.00 -2.93 -0.06 0.00 -0.26 0.00 0.00 58.87 55.62 2rpr n SER 2 Cb 0.00 -1.66 0.01 0.00 -0.26 0.00 0.00 64.21 62.29 2rpr n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2rpr h SER 3 N 6.85 -0.52 0.00 4.04 4.64 -2.09 -3.48 113.55 123.00 2rpr h SER 3 Ca 0.45 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2rpr h SER 3 Cb 0.78 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2rpr h SER 3 CO 1.56 -0.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.94 2rpr n GLY 4 N -1.34 1.53 3.15 -0.77 0.00 -1.26 -4.93 105.19 101.58 2rpr n GLY 4 Ca 0.01 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 2rpr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rpr n SER 5 N 0.00 5.68 -4.68 1.61 2.88 -1.26 -5.01 113.62 112.85 2rpr n SER 5 Ca 0.00 -3.17 -0.47 0.00 -1.33 0.00 0.00 58.87 53.90 2rpr n SER 5 Cb 0.00 -1.40 -0.04 0.00 -0.75 0.00 0.00 64.21 62.02 2rpr n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2rpr n SER 6 N 3.00 3.33 0.00 -3.46 2.88 -1.26 -4.94 113.62 113.18 2rpr n SER 6 Ca 0.30 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 2rpr n SER 6 Cb 0.37 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 2rpr n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rpr n GLY 7 N 4.04 5.26 3.55 0.46 0.00 -1.26 -5.05 105.19 112.20 2rpr n GLY 7 Ca 0.20 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 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 3.33 0.21 0.99 2.96 -1.26 -4.96 118.68 119.96 2rpr s LEU 8 Ca 0.00 0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 54.35 2rpr s LEU 8 Cb 0.00 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 44.05 2rpr s LEU 8 CO 0.00 -2.52 0.69 -0.13 -1.32 0.00 0.00 176.35 173.06 2rpr s ARG 9 N 7.40 4.17 0.00 1.98 0.52 -1.26 -5.05 118.95 126.71 2rpr s ARG 9 Ca 0.78 0.77 0.00 0.00 -0.52 0.00 0.00 55.73 56.75 2rpr s ARG 9 Cb -0.14 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.48 2rpr s ARG 9 CO 0.23 0.39 0.00 -0.35 0.02 0.00 0.00 175.30 175.59 2rpr n PRO 10 N 0.64 -1.00 -3.72 3.54 -0.04 -1.24 -3.77 135.00 129.41 2rpr n PRO 10 Ca -0.02 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 2rpr n PRO 10 Cb 0.51 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.56 0.11 1.53 2.96 -1.12 -4.62 118.68 118.09 2rpr s LEU 11 Ca 0.00 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 2rpr s LEU 11 Cb 0.00 1.50 -0.04 0.00 0.50 0.00 0.00 46.19 48.15 2rpr s LEU 11 CO 0.00 -0.46 0.11 -0.70 -1.32 0.00 0.00 176.35 173.97 2rpr s GLU 12 N -1.23 2.91 0.24 1.98 2.56 -1.26 -5.08 118.70 118.82 2rpr s GLU 12 Ca -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 54.97 54.11 2rpr s GLU 12 Cb -0.04 -2.71 -0.04 0.00 2.00 0.00 0.00 34.13 33.34 2rpr s GLU 12 CO 0.05 0.54 0.17 -0.06 -0.56 0.00 0.00 175.26 175.40 2rpr s PHE 13 N -1.53 1.36 0.06 5.30 0.40 -1.26 -2.70 117.98 119.60 2rpr s PHE 13 Ca 0.30 -1.46 -0.10 0.00 -0.60 0.00 0.00 56.93 55.07 2rpr s PHE 13 Cb -0.11 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.80 2rpr s PHE 13 CO 0.23 -0.70 0.21 -0.51 0.70 0.00 0.00 175.22 175.15 2rpr s LEU 14 N -3.23 1.31 -0.01 -0.37 1.43 0.22 -4.71 118.68 113.32 2rpr s LEU 14 Ca 0.39 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2rpr s LEU 14 Cb 0.06 1.04 -0.02 0.00 0.03 0.00 0.00 46.19 47.30 2rpr s LEU 14 CO 0.17 -0.62 -0.18 -0.60 0.23 0.00 0.00 176.35 175.34 2rpr s ARG 15 N -2.98 1.45 0.09 1.70 6.06 -1.26 0.64 118.95 124.64 2rpr s ARG 15 Ca -0.02 -0.68 0.06 0.00 -2.50 0.00 0.00 55.73 52.60 2rpr s ARG 15 Cb 0.01 -1.42 -0.04 0.00 0.06 0.00 0.00 34.95 33.56 2rpr s ARG 15 CO -0.06 0.39 -0.09 0.95 -2.50 0.00 0.00 175.30 173.99 2rpr s THR 16 N -0.47 3.46 -0.09 4.11 -4.23 -0.65 -4.89 115.64 112.88 2rpr s THR 16 Ca 0.07 -1.16 -0.24 0.00 -1.18 0.00 0.00 61.69 59.18 2rpr s THR 16 Cb -0.07 -2.60 -0.29 0.00 1.34 0.00 0.00 72.50 70.88 2rpr s THR 16 CO -0.00 0.16 0.80 0.28 -0.54 0.00 0.00 174.62 175.32 2rpr h SER 17 N 3.75 0.28 -2.35 3.99 0.02 -2.01 -3.39 113.55 113.84 2rpr h SER 17 Ca -0.49 -0.95 -0.67 0.00 -0.84 0.00 0.00 61.79 58.84 2rpr h SER 17 Cb 1.17 -0.09 -0.37 0.00 0.14 0.00 0.00 62.40 63.25 2rpr h SER 17 CO 0.53 1.27 -0.06 0.18 -1.14 0.00 0.00 176.83 177.61 2rpr n LEU 18 N -4.30 5.21 0.00 5.07 4.32 -1.26 -4.92 117.00 121.13 2rpr n LEU 18 Ca -0.14 -5.50 0.00 0.00 -0.02 0.00 0.00 56.01 50.36 2rpr n LEU 18 Cb 0.70 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 2rpr n LEU 18 CO 0.42 2.12 0.00 0.61 -1.22 0.00 0.00 177.39 179.32 2rpr n GLY 19 N 0.30 -0.91 0.00 -0.72 0.00 -1.26 -5.18 105.19 97.42 2rpr n GLY 19 Ca 0.33 0.70 0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 3.58 3.69 -0.02 0.00 -1.26 -4.98 105.19 106.19 2rpr n GLY 20 Ca 0.00 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 0.85 4.32 0.39 1.61 6.06 -1.26 -1.64 118.95 129.27 2rpr s ARG 21 Ca 0.00 0.79 0.07 0.00 -2.50 0.00 0.00 55.73 54.09 2rpr s ARG 21 Cb 0.00 -3.52 0.00 0.00 0.06 0.00 0.00 34.95 31.49 2rpr s ARG 21 CO 0.00 -0.13 0.54 -0.06 -2.50 0.00 0.00 175.30 173.14 2rpr s PHE 22 N 1.50 2.95 -0.03 5.12 0.40 0.21 -3.54 117.98 124.59 2rpr s PHE 22 Ca 0.34 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 2rpr s PHE 22 Cb -0.17 -2.22 0.01 0.00 0.51 0.00 0.00 43.02 41.16 2rpr s PHE 22 CO 0.13 -0.26 -0.05 -1.17 0.70 0.00 0.00 175.22 174.58 2rpr s LEU 23 N -4.29 1.53 -0.37 -0.37 2.96 0.18 -0.61 118.68 117.70 2rpr s LEU 23 Ca 0.51 -0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 54.14 2rpr s LEU 23 Cb -0.10 -0.43 -0.00 0.00 0.50 0.00 0.00 46.19 46.16 2rpr s LEU 23 CO 0.32 -0.01 0.33 -0.69 -1.32 0.00 0.00 176.35 174.98 2rpr s VAL 24 N 0.59 5.21 -0.16 1.68 1.01 -1.10 -1.22 120.40 126.41 2rpr s VAL 24 Ca -0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2rpr s VAL 24 Cb -0.11 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.49 2rpr s VAL 24 CO 0.00 -0.17 0.34 -2.28 0.00 0.00 0.00 175.10 172.99 2rpr s HIS 25 N 1.89 -0.57 -1.02 5.22 5.04 -1.09 -4.18 115.29 120.57 2rpr s HIS 25 Ca 0.09 1.20 -0.02 0.00 -1.54 0.00 0.00 55.06 54.79 2rpr s HIS 25 Cb -0.17 0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.59 2rpr s HIS 25 CO 0.11 -0.38 0.86 0.39 -2.34 0.00 0.00 174.74 173.38 2rpr n GLU 26 N 5.07 -5.74 -1.96 2.88 -0.58 -1.26 -2.04 120.64 117.01 2rpr n GLU 26 Ca -0.12 0.70 -0.13 0.00 -0.42 0.00 0.00 57.16 57.20 2rpr n GLU 26 Cb 0.51 -5.29 -0.03 0.00 -0.57 0.00 0.00 31.44 26.06 2rpr n GLU 26 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2rpr n SER 27 N -2.64 -3.67 -4.32 1.62 3.41 -1.26 -4.87 113.62 101.89 2rpr n SER 27 Ca -0.18 0.24 -0.29 0.00 -0.26 0.00 0.00 58.87 58.38 2rpr n SER 27 Cb 0.62 -3.26 -0.07 0.00 -0.26 0.00 0.00 64.21 61.25 2rpr n SER 27 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2rpr n PHE 28 N -2.71 0.82 -4.48 7.33 3.72 -0.87 -4.06 117.46 117.22 2rpr n PHE 28 Ca -0.14 -2.43 -0.20 0.00 -0.05 0.00 0.00 57.45 54.62 2rpr n PHE 28 Cb 0.52 -0.22 -0.15 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.98 0.13 4.37 1.43 -1.26 -2.67 118.68 122.65 2rpr s LEU 29 Ca 0.06 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2rpr s LEU 29 Cb 0.00 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 2rpr s LEU 29 CO 0.04 0.13 -0.09 -0.31 0.23 0.00 0.00 176.35 176.35 2rpr s TYR 30 N -0.17 1.12 -0.12 0.29 1.51 -0.36 -2.64 117.35 116.98 2rpr s TYR 30 Ca 0.03 -0.80 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 2rpr s TYR 30 Cb -0.05 -0.59 0.01 0.00 -0.11 0.00 0.00 41.96 41.22 2rpr s TYR 30 CO -0.00 -0.00 -0.17 1.03 -1.11 0.00 0.00 175.55 175.29 2rpr s ARG 31 N -3.70 2.48 -0.39 -0.62 0.52 -0.08 -0.65 118.95 116.51 2rpr s ARG 31 Ca 0.14 -0.65 -0.40 0.00 -0.52 0.00 0.00 55.73 54.30 2rpr s ARG 31 Cb 0.03 -2.09 -0.15 0.00 0.52 0.00 0.00 34.95 33.26 2rpr s ARG 31 CO -0.01 -0.07 2.04 1.17 0.02 0.00 0.00 175.30 178.44 2rpr n LYS 32 N 4.23 0.71 -0.09 3.54 4.81 -1.23 -2.67 118.16 127.46 2rpr n LYS 32 Ca -0.19 0.22 -0.16 0.00 -0.87 0.00 0.00 58.31 57.30 2rpr n LYS 32 Cb 0.51 -2.04 -0.08 0.00 0.02 0.00 0.00 35.03 33.44 2rpr n LYS 32 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2rpr n GLU 33 N 7.09 0.53 -2.88 1.64 4.07 -0.72 -4.93 120.64 125.43 2rpr n GLU 33 Ca 0.41 0.55 -0.05 0.00 -0.06 0.00 0.00 57.16 58.01 2rpr n GLU 33 Cb 0.11 -1.72 0.02 0.00 -0.06 0.00 0.00 31.44 29.79 2rpr n GLU 33 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2rpr n LYS 34 N -4.49 0.71 -3.77 5.31 2.85 -1.23 -5.02 118.16 112.53 2rpr n LYS 34 Ca -0.24 -1.42 -0.13 0.00 -1.05 0.00 0.00 58.31 55.47 2rpr n LYS 34 Cb 0.55 1.78 -0.14 0.00 -0.65 0.00 0.00 35.03 36.57 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 -1.72 -0.30 -0.86 0.58 0.00 -1.26 0.44 121.76 118.65 2rpr s ALA 35 Ca 0.11 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.67 2rpr s ALA 35 Cb -0.03 -0.38 0.28 0.00 0.00 0.00 0.00 23.12 22.99 2rpr s ALA 35 CO 0.07 -0.13 1.15 0.00 0.00 0.00 0.00 175.76 176.86 2rpr n ALA 36 N 3.82 4.71 0.00 0.00 0.00 0.84 -4.97 120.51 124.92 2rpr n ALA 36 Ca -0.22 -4.78 0.00 0.00 0.00 0.00 0.00 53.44 48.44 2rpr n ALA 36 Cb 0.54 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 0.97 1.56 0.93 0.00 0.00 -1.26 -3.60 105.19 103.78 2rpr n GLY 37 Ca 0.29 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2rpr n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2rpr n GLU 38 N 0.00 2.15 -4.57 1.61 0.28 -1.26 -4.93 120.64 113.92 2rpr n GLU 38 Ca 0.00 -1.91 -0.32 0.00 -0.16 0.00 0.00 57.16 54.77 2rpr n GLU 38 Cb 0.00 -1.44 -0.11 0.00 1.43 0.00 0.00 31.44 31.32 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2rpr s LYS 39 N -1.75 2.44 -0.18 3.44 1.02 -1.24 -4.54 119.74 118.94 2rpr s LYS 39 Ca 0.28 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.51 2rpr s LYS 39 Cb 0.19 -2.41 0.02 0.00 -0.52 0.00 0.00 37.83 35.11 2rpr s LYS 39 CO 0.28 0.59 -0.19 0.08 -0.92 0.00 0.00 175.35 175.19 2rpr s VAL 40 N -0.94 2.08 0.34 3.17 1.01 -0.89 -0.11 120.40 125.07 2rpr s VAL 40 Ca 0.16 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 2rpr s VAL 40 Cb -0.11 -1.89 -0.10 0.00 0.00 0.00 0.00 36.38 34.29 2rpr s VAL 40 CO 0.06 0.52 0.98 -0.31 0.00 0.00 0.00 175.10 176.34 2rpr s TYR 41 N 1.29 3.58 -0.06 5.22 2.02 0.17 -1.35 117.35 128.22 2rpr s TYR 41 Ca 0.04 1.74 -0.01 0.00 -0.37 0.00 0.00 57.07 58.48 2rpr s TYR 41 Cb -0.13 -2.99 0.03 0.00 -0.40 0.00 0.00 41.96 38.46 2rpr s TYR 41 CO -0.13 -0.04 -0.00 -1.58 -1.57 0.00 0.00 175.55 172.23 2rpr s TRP 42 N -1.61 0.57 -0.09 2.71 0.52 0.11 -1.76 118.94 119.40 2rpr s TRP 42 Ca 0.52 -0.11 -0.02 0.00 0.02 0.00 0.00 56.10 56.51 2rpr s TRP 42 Cb -0.20 -0.69 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 2rpr s TRP 42 CO 0.25 -0.26 0.00 0.00 0.02 0.00 0.00 176.95 176.96 2rpr s MET 43 N 1.67 3.01 -0.20 4.98 0.23 -1.09 0.91 119.30 128.81 2rpr s MET 43 Ca 0.00 -0.40 -0.34 0.00 -1.03 0.00 0.00 55.69 53.92 2rpr s MET 43 Cb -0.13 -2.80 -0.11 0.00 -1.53 0.00 0.00 34.83 30.26 2rpr s MET 43 CO -0.04 0.69 2.02 0.00 -2.03 0.00 0.00 175.02 175.66 2rpr h ARG 45 N 10.91 0.05 -1.94 0.00 0.11 -1.80 0.22 114.38 121.93 2rpr h ARG 45 Ca -0.41 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.48 2rpr h ARG 45 Cb 1.29 -0.01 -0.07 0.00 1.11 0.00 0.00 29.97 32.28 2rpr h ARG 45 CO 0.97 0.03 -0.05 -0.25 0.10 0.00 0.00 179.97 180.78 2rpr n ASP 46 N -4.53 5.62 0.03 0.08 8.00 -1.26 -4.17 116.55 120.32 2rpr n ASP 46 Ca 0.39 -2.64 -0.04 0.00 0.71 0.00 0.00 54.79 53.21 2rpr n ASP 46 Cb 1.57 -1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 41.32 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 2.16 0.00 0.00 -1.24 -0.00 -0.65 0.46 115.11 115.83 2rpr h GLN 47 Ca 0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.63 2rpr h GLN 47 Cb 1.16 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.60 2rpr h GLN 47 CO 0.32 0.51 -2.03 0.00 -0.00 0.00 0.00 178.83 177.63 2rpr n ALA 48 N -2.43 2.07 -0.07 0.06 0.00 -1.26 -3.23 120.51 115.65 2rpr n ALA 48 Ca -0.09 -0.87 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 2rpr n ALA 48 Cb 0.92 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.60 0.46 -0.82 0.00 0.63 -1.26 -4.41 116.66 108.66 2rpr n ARG 49 Ca -0.17 0.51 -0.01 0.00 -0.92 0.00 0.00 57.85 57.25 2rpr n ARG 49 Cb 0.88 -1.68 0.29 0.00 0.45 0.00 0.00 32.46 32.40 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 -4.61 5.27 -2.22 6.15 4.77 -0.95 -4.90 117.00 120.50 2rpr n LEU 50 Ca -0.08 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.19 2rpr n LEU 50 Cb 0.28 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2rpr n LEU 50 CO 0.11 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2rpr n GLY 51 N 0.15 -0.43 3.54 -0.72 0.00 -1.11 -4.78 105.19 101.84 2rpr n GLY 51 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 9.16 1.05 -1.53 0.00 5.12 -1.26 -3.83 116.66 125.37 2rpr n ARG 53 Ca 0.04 -0.07 -0.48 0.00 -1.93 0.00 0.00 57.85 55.41 2rpr n ARG 53 Cb 0.49 -1.14 -0.05 0.00 -1.16 0.00 0.00 32.46 30.59 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 -0.56 2.68 -4.74 0.55 2.88 -1.26 -4.79 113.62 108.39 2rpr n SER 54 Ca 0.07 0.38 -0.24 0.00 -1.33 0.00 0.00 58.87 57.75 2rpr n SER 54 Cb 0.05 -1.39 -0.07 0.00 -0.75 0.00 0.00 64.21 62.05 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 6.09 2.31 0.19 -1.46 0.52 -1.26 -0.80 118.95 124.53 2rpr s ARG 55 Ca 1.05 -1.66 -0.10 0.00 -0.52 0.00 0.00 55.73 54.50 2rpr s ARG 55 Cb -0.64 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 2rpr s ARG 55 CO 0.44 0.02 0.33 0.00 0.02 0.00 0.00 175.30 176.11 2rpr s ALA 56 N -2.49 -0.01 -0.08 2.13 0.00 0.26 -2.08 121.76 119.49 2rpr s ALA 56 Ca 0.39 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 2rpr s ALA 56 Cb -0.00 0.95 0.02 0.00 0.00 0.00 0.00 23.12 24.09 2rpr s ALA 56 CO 0.23 -0.70 -0.05 0.42 0.00 0.00 0.00 175.76 175.66 2rpr s ILE 57 N -3.99 0.72 0.13 0.00 1.01 0.11 0.08 121.20 119.26 2rpr s ILE 57 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.73 2rpr s ILE 57 Cb 0.02 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2rpr s ILE 57 CO 0.03 0.30 0.19 0.42 0.00 0.00 0.00 174.94 175.88 2rpr s THR 58 N 1.47 4.91 -0.26 2.92 -4.23 -0.46 0.90 115.64 120.89 2rpr s THR 58 Ca -0.01 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2rpr s THR 58 Cb -0.13 -3.48 0.15 0.00 1.34 0.00 0.00 72.50 70.38 2rpr s THR 58 CO -0.04 -0.03 0.42 -1.58 -0.54 0.00 0.00 174.62 172.85 2rpr s GLN 59 N -2.96 0.40 3.35 3.99 0.74 -1.11 -2.10 119.66 121.97 2rpr s GLN 59 Ca 0.32 0.63 0.00 0.00 0.05 0.00 0.00 55.36 56.36 2rpr s GLN 59 Cb -0.11 -0.26 0.00 0.00 1.10 0.00 0.00 33.01 33.74 2rpr s GLN 59 CO 0.26 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 174.76 2rpr n GLY 60 N 5.38 1.34 0.00 2.59 0.00 -1.26 -1.97 105.19 111.27 2rpr n GLY 60 Ca -0.03 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.86 1.61 -0.00 -1.26 -5.02 115.22 106.69 2rpr n HIS 61 Ca 0.00 -0.27 -0.19 0.00 0.46 0.00 0.00 57.72 57.71 2rpr n HIS 61 Cb 0.00 -0.03 -0.00 0.00 -0.12 0.00 0.00 29.99 29.84 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 -0.27 0.94 -3.84 1.57 1.74 -0.83 -2.81 116.66 113.15 2rpr n ARG 62 Ca 0.00 -2.47 -0.09 0.00 -0.77 0.00 0.00 57.85 54.52 2rpr n ARG 62 Cb 0.33 0.31 -0.07 0.00 -1.02 0.00 0.00 32.46 32.02 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 -1.98 0.12 0.00 0.55 2.07 -1.26 -2.74 121.20 117.96 2rpr s ILE 63 Ca 0.20 -1.11 -0.04 0.00 -1.41 0.00 0.00 60.65 58.29 2rpr s ILE 63 Cb -0.02 -1.37 -0.01 0.00 0.13 0.00 0.00 42.46 41.20 2rpr s ILE 63 CO 0.12 -0.56 0.06 -0.32 -1.91 0.00 0.00 174.94 172.34 2rpr s MET 64 N -3.86 0.36 0.00 3.50 -2.45 0.26 -4.94 119.30 112.17 2rpr s MET 64 Ca 0.06 -0.40 0.08 0.00 -1.25 0.00 0.00 55.69 54.17 2rpr s MET 64 Cb 0.04 0.14 -0.03 0.00 1.25 0.00 0.00 34.83 36.24 2rpr s MET 64 CO -0.10 -0.07 -0.23 0.08 1.05 0.00 0.00 175.02 175.74 2rpr s VAL 65 N -1.20 2.33 -0.08 10.11 1.01 -1.26 0.07 120.40 131.39 2rpr s VAL 65 Ca -0.13 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 60.60 2rpr s VAL 65 Cb -0.07 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2rpr s VAL 65 CO 0.00 0.49 -0.20 0.23 0.00 0.00 0.00 175.10 175.62 2rpr n MET 66 N 2.10 0.31 -4.34 2.72 2.81 -0.89 -4.94 117.12 114.90 2rpr n MET 66 Ca -0.16 0.12 -0.30 0.00 -1.81 0.00 0.00 57.70 55.55 2rpr n MET 66 Cb 0.52 -1.01 -0.11 0.00 -0.71 0.00 0.00 33.22 31.91 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 -2.34 2.08 0.70 0.03 3.00 -1.25 -5.01 118.95 116.17 2rpr s ARG 67 Ca -0.17 -1.02 -0.12 0.00 -1.00 0.00 0.00 55.73 53.42 2rpr s ARG 67 Cb 0.02 -2.26 0.18 0.00 0.00 0.00 0.00 34.95 32.89 2rpr s ARG 67 CO 0.25 0.52 0.60 -1.13 0.00 0.00 0.00 175.30 175.53 2rpr n SER 68 N 0.94 -1.80 -4.55 -2.12 3.41 -1.26 -4.28 113.62 103.96 2rpr n SER 68 Ca -0.15 -0.83 -0.32 0.00 -0.26 0.00 0.00 58.87 57.31 2rpr n SER 68 Cb 0.52 -0.56 -0.11 0.00 -0.26 0.00 0.00 64.21 63.80 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 -2.06 2.82 -2.05 7.33 0.09 -1.26 -4.21 115.29 115.96 2rpr s HIS 69 Ca 0.40 -0.08 0.15 0.00 -0.00 0.00 0.00 55.06 55.53 2rpr s HIS 69 Cb -0.04 -1.61 0.45 0.00 -0.00 0.00 0.00 32.58 31.37 2rpr s HIS 69 CO 0.31 0.32 1.36 0.00 -0.00 0.00 0.00 174.74 176.73 2rpr s HIS 71 N -1.43 0.69 0.27 0.00 -3.43 -1.26 -5.09 115.29 105.03 2rpr s HIS 71 Ca 0.31 -1.07 -0.03 0.00 -0.80 0.00 0.00 55.06 53.48 2rpr s HIS 71 Cb 0.16 -0.45 -0.05 0.00 -1.43 0.00 0.00 32.58 30.82 2rpr s HIS 71 CO 0.22 -0.36 0.49 -0.65 -2.00 0.00 0.00 174.74 172.45 2rpr s GLN 72 N -3.93 3.57 0.67 -0.38 -0.21 -1.26 -5.08 119.66 113.04 2rpr s GLN 72 Ca 0.12 -0.17 -0.14 0.00 0.02 0.00 0.00 55.36 55.19 2rpr s GLN 72 Cb 0.07 -2.72 0.01 0.00 1.00 0.00 0.00 33.01 31.37 2rpr s GLN 72 CO -0.06 0.27 1.11 -1.25 -2.12 0.00 0.00 175.29 173.24 2rpr s PRO 73 N -3.58 2.75 -0.49 2.91 0.04 -1.26 -5.03 135.00 130.33 2rpr s PRO 73 Ca 0.41 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.86 2rpr s PRO 73 Cb -0.11 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.66 2rpr s PRO 73 CO 0.30 -1.29 0.38 -0.51 0.04 0.00 0.00 177.00 175.93 2rpr s ASP 74 N -2.67 2.37 0.61 6.66 1.11 -1.26 -4.95 116.67 118.54 2rpr s ASP 74 Ca 0.66 -3.27 0.25 0.00 0.18 0.00 0.00 52.55 50.37 2rpr s ASP 74 Cb -0.20 -0.76 1.13 0.00 1.07 0.00 0.00 42.92 44.16 2rpr s ASP 74 CO 0.43 -0.15 1.58 -0.07 1.18 0.00 0.00 175.17 178.14 2rpr h LEU 75 N 5.59 0.00 0.05 1.23 3.38 -1.96 0.26 115.31 123.85 2rpr h LEU 75 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2rpr h LEU 75 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2rpr h LEU 75 CO 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.97 2rpr h ALA 76 N 0.94 -0.06 -0.33 1.53 0.00 -1.98 -0.48 119.26 118.87 2rpr h ALA 76 Ca 0.27 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2rpr h ALA 76 Cb 1.85 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2rpr h ALA 76 CO -0.00 -0.27 -0.36 0.78 0.00 0.00 0.00 179.25 179.39 2rpr h GLY 77 N -0.59 0.83 1.02 0.00 0.00 -0.97 -2.96 103.07 100.40 2rpr h GLY 77 Ca -0.01 -0.81 -0.13 0.00 0.00 0.00 0.00 47.33 46.38 2rpr h GLY 77 CO 0.01 0.74 -0.31 -2.00 0.00 0.00 0.00 176.54 174.98 2rpr h LEU 78 N 0.63 0.83 -2.54 3.11 5.85 -1.30 -2.84 115.31 119.05 2rpr h LEU 78 Ca 0.06 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 2rpr h LEU 78 Cb 0.91 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2rpr h LEU 78 CO 0.08 1.13 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.96 2rpr h GLU 79 N 0.55 0.00 0.59 1.25 5.08 -1.06 -2.70 114.58 118.29 2rpr h GLU 79 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2rpr h GLU 79 Cb 0.89 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.14 2rpr h GLU 79 CO 0.08 0.02 -0.28 0.00 -1.00 0.00 0.00 179.01 177.82 2rpr h ALA 80 N 1.98 -0.83 -0.62 3.43 0.00 -1.33 -1.59 119.26 120.31 2rpr h ALA 80 Ca -0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.84 2rpr h ALA 80 Cb 0.06 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2rpr h ALA 80 CO 0.00 -0.77 0.20 -0.07 0.00 0.00 0.00 179.25 178.61 2rpr h LEU 81 N -1.16 0.15 -2.00 0.00 3.38 -1.54 0.30 115.31 114.45 2rpr h LEU 81 Ca -0.08 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2rpr h LEU 81 Cb 0.61 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2rpr h LEU 81 CO 0.13 0.09 -0.09 0.03 0.09 0.00 0.00 178.44 178.68 2rpr h ARG 82 N 0.36 0.00 0.04 1.13 3.08 -1.54 -2.22 114.38 115.22 2rpr h ARG 82 Ca 0.32 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.10 2rpr h ARG 82 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2rpr h ARG 82 CO -0.35 0.09 -1.42 0.37 -1.07 0.00 0.00 179.97 177.60 2rpr h GLN 83 N 0.00 0.07 0.00 0.04 4.15 0.48 -3.29 115.11 116.56 2rpr h GLN 83 Ca -0.00 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2rpr h GLN 83 Cb 0.29 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2rpr h GLN 83 CO 0.01 0.86 0.00 0.00 -1.93 0.00 0.00 178.83 177.77 2rpr h ARG 84 N 0.02 0.00 0.07 1.69 3.08 -0.03 -3.00 114.38 116.21 2rpr h ARG 84 Ca -0.18 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.61 2rpr h ARG 84 Cb 1.93 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.99 2rpr h ARG 84 CO 0.12 0.00 -1.11 0.93 -1.07 0.00 0.00 179.97 178.84 2rpr h GLU 85 N 0.00 0.38 -2.15 0.04 4.39 -1.53 -3.31 114.58 112.39 2rpr h GLU 85 Ca 0.00 -0.50 -0.56 0.00 0.34 0.00 0.00 59.36 58.64 2rpr h GLU 85 Cb 0.58 0.17 -0.16 0.00 -0.10 0.00 0.00 28.75 29.23 2rpr h GLU 85 CO 0.00 1.19 0.88 0.54 -1.16 0.00 0.00 179.01 180.46 2rpr n ARG 86 N -3.66 2.96 0.00 2.33 5.12 -1.13 -5.14 116.66 117.13 2rpr n ARG 86 Ca -0.08 -2.63 0.00 0.00 -1.93 0.00 0.00 57.85 53.21 2rpr n ARG 86 Cb 0.93 -2.26 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 2rpr n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59