#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 -0.14 -0.53 1.61 0.15 -1.26 -5.10 113.70 108.43 2rpr s SER 2 Ca 0.00 0.91 -0.27 0.00 0.70 0.00 0.00 55.95 57.29 2rpr s SER 2 Cb 0.00 1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 65.49 2rpr s SER 2 CO 0.00 -0.23 1.85 -0.55 1.20 0.00 0.00 173.24 175.51 2rpr s SER 3 N 2.54 5.42 0.11 5.45 0.15 -1.26 -4.91 113.70 121.20 2rpr s SER 3 Ca -0.01 0.62 -0.31 0.00 0.70 0.00 0.00 55.95 56.95 2rpr s SER 3 Cb -0.12 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.49 2rpr s SER 3 CO -0.12 -2.21 0.69 0.61 1.20 0.00 0.00 173.24 173.41 2rpr n GLY 4 N 5.62 -1.07 3.79 9.45 0.00 -1.26 -4.91 105.19 116.82 2rpr n GLY 4 Ca 0.22 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.55 6.48 0.00 1.61 0.15 -1.26 -4.97 113.70 115.16 2rpr s SER 5 Ca 0.70 0.57 0.24 0.00 0.70 0.00 0.00 55.95 58.15 2rpr s SER 5 Cb -0.99 -2.16 0.74 0.00 -1.71 0.00 0.00 66.02 61.90 2rpr s SER 5 CO 0.52 0.24 1.56 -0.24 1.20 0.00 0.00 173.24 176.52 2rpr n SER 6 N 2.75 2.00 0.00 5.45 2.88 -1.26 -5.00 113.62 120.44 2rpr n SER 6 Ca -0.15 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 2rpr n SER 6 Cb 0.53 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 1.22 -0.50 3.39 0.46 0.00 -1.26 -5.12 105.19 103.38 2rpr n GLY 7 Ca 0.17 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.19 0.42 0.99 0.05 -1.26 -5.15 118.68 113.54 2rpr s LEU 8 Ca 0.00 1.05 -0.25 0.00 0.05 0.00 0.00 54.13 54.98 2rpr s LEU 8 Cb 0.00 1.67 -0.08 0.00 -2.05 0.00 0.00 46.19 45.73 2rpr s LEU 8 CO 0.00 -0.20 1.26 -0.13 -0.55 0.00 0.00 176.35 176.74 2rpr s ARG 9 N 1.05 3.88 0.10 1.48 0.52 -1.26 -5.03 118.95 119.68 2rpr s ARG 9 Ca -0.06 2.05 -0.02 0.00 -0.52 0.00 0.00 55.73 57.18 2rpr s ARG 9 Cb -0.06 -2.65 0.02 0.00 0.52 0.00 0.00 34.95 32.79 2rpr s ARG 9 CO -0.09 -0.53 0.09 -0.35 0.02 0.00 0.00 175.30 174.43 2rpr n PRO 10 N -0.07 -1.19 -4.40 3.54 -0.04 -1.26 -4.58 135.00 127.00 2rpr n PRO 10 Ca 0.05 -0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 2rpr n PRO 10 Cb 0.45 -0.13 -0.14 0.00 -0.04 0.00 0.00 33.50 33.64 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 2.12 -0.00 1.53 2.96 -1.17 -4.83 118.68 119.29 2rpr s LEU 11 Ca 0.06 -0.37 -0.21 0.00 -0.22 0.00 0.00 54.13 53.38 2rpr s LEU 11 Cb -0.01 -0.59 -0.05 0.00 0.50 0.00 0.00 46.19 46.05 2rpr s LEU 11 CO 0.04 0.06 0.63 -0.70 -1.32 0.00 0.00 176.35 175.06 2rpr s GLU 12 N -0.85 4.36 0.31 1.98 2.12 -1.25 -5.06 118.70 120.30 2rpr s GLU 12 Ca 0.02 0.79 0.03 0.00 0.36 0.00 0.00 54.97 56.17 2rpr s GLU 12 Cb -0.07 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2rpr s GLU 12 CO 0.01 0.33 0.12 -0.06 -0.54 0.00 0.00 175.26 175.11 2rpr s PHE 13 N -0.07 1.65 -0.00 5.30 0.08 -1.26 -1.80 117.98 121.88 2rpr s PHE 13 Ca 0.33 -1.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.03 2rpr s PHE 13 Cb -0.18 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.31 2rpr s PHE 13 CO 0.18 -0.36 0.21 -0.51 -0.10 0.00 0.00 175.22 174.64 2rpr s LEU 14 N -3.40 1.26 -0.16 -0.37 1.43 0.17 -4.71 118.68 112.89 2rpr s LEU 14 Ca 0.35 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2rpr s LEU 14 Cb 0.06 0.93 0.04 0.00 0.03 0.00 0.00 46.19 47.25 2rpr s LEU 14 CO 0.16 -0.41 -0.08 -0.60 0.23 0.00 0.00 176.35 175.64 2rpr s ARG 15 N -1.43 1.69 0.12 1.70 3.52 -1.26 -0.30 118.95 122.98 2rpr s ARG 15 Ca -0.14 -0.55 0.10 0.00 -0.13 0.00 0.00 55.73 55.01 2rpr s ARG 15 Cb -0.06 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.25 2rpr s ARG 15 CO 0.02 -0.38 -0.24 -0.08 -0.81 0.00 0.00 175.30 173.81 2rpr s THR 16 N 1.58 2.04 -0.13 4.11 -1.32 0.15 -4.88 115.64 117.18 2rpr s THR 16 Ca 0.01 -1.69 -0.21 0.00 -1.21 0.00 0.00 61.69 58.59 2rpr s THR 16 Cb -0.15 -1.83 -0.19 0.00 -1.51 0.00 0.00 72.50 68.83 2rpr s THR 16 CO -0.08 0.01 0.52 -1.28 -2.21 0.00 0.00 174.62 171.58 2rpr h SER 17 N 3.91 0.00 -0.13 8.08 0.87 -2.01 -2.56 113.55 121.71 2rpr h SER 17 Ca -0.49 -0.70 -0.71 0.00 -1.23 0.00 0.00 61.79 58.67 2rpr h SER 17 Cb 1.18 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.10 2rpr h SER 17 CO 0.40 0.90 3.19 0.18 -0.53 0.00 0.00 176.83 180.97 2rpr n LEU 18 N -4.64 7.29 0.00 2.23 4.77 -1.26 -3.92 117.00 121.47 2rpr n LEU 18 Ca -0.09 -4.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.65 2rpr n LEU 18 Cb 0.37 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.84 2rpr n LEU 18 CO 0.24 1.36 0.00 0.61 -1.33 0.00 0.00 177.39 178.27 2rpr n GLY 19 N 3.84 0.84 0.00 -0.72 0.00 -1.26 -5.12 105.19 102.76 2rpr n GLY 19 Ca 0.57 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 0.41 3.66 -0.02 0.00 -0.96 -5.06 105.19 103.22 2rpr n GLY 20 Ca 0.00 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 3.34 0.25 1.61 6.06 -1.26 -0.68 118.95 128.27 2rpr s ARG 21 Ca 0.00 -0.39 0.11 0.00 -2.50 0.00 0.00 55.73 52.95 2rpr s ARG 21 Cb 0.00 -2.93 -0.05 0.00 0.06 0.00 0.00 34.95 32.03 2rpr s ARG 21 CO 0.00 0.55 -0.13 -0.06 -2.50 0.00 0.00 175.30 173.15 2rpr s PHE 22 N -0.43 2.47 -0.18 5.12 0.08 0.59 -4.56 117.98 121.06 2rpr s PHE 22 Ca 0.08 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.86 2rpr s PHE 22 Cb -0.12 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 2rpr s PHE 22 CO 0.02 0.62 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.49 2rpr s LEU 23 N -3.32 2.06 -0.38 -0.37 2.96 -0.89 -0.66 118.68 118.09 2rpr s LEU 23 Ca 0.28 -0.77 -0.21 0.00 -0.22 0.00 0.00 54.13 53.22 2rpr s LEU 23 Cb -0.06 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.45 2rpr s LEU 23 CO 0.16 -0.13 0.66 -0.69 -1.32 0.00 0.00 176.35 175.03 2rpr s VAL 24 N 1.44 4.85 -0.14 1.68 1.01 -0.74 -1.53 120.40 126.97 2rpr s VAL 24 Ca 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 2rpr s VAL 24 Cb -0.15 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.17 2rpr s VAL 24 CO -0.09 -0.40 0.31 -2.28 0.00 0.00 0.00 175.10 172.64 2rpr s HIS 25 N 2.79 -0.49 -1.11 5.22 5.04 -0.81 -3.90 115.29 122.03 2rpr s HIS 25 Ca 0.25 1.06 -0.04 0.00 -1.54 0.00 0.00 55.06 54.79 2rpr s HIS 25 Cb -0.14 0.09 0.00 0.00 0.04 0.00 0.00 32.58 32.58 2rpr s HIS 25 CO 0.16 -0.34 0.96 0.39 -2.34 0.00 0.00 174.74 173.57 2rpr n GLU 26 N 4.86 -6.40 -1.98 2.88 -0.58 -1.26 -1.82 120.64 116.34 2rpr n GLU 26 Ca -0.15 0.72 -0.17 0.00 -0.42 0.00 0.00 57.16 57.15 2rpr n GLU 26 Cb 0.51 -5.42 -0.04 0.00 -0.57 0.00 0.00 31.44 25.93 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 -2.59 -4.66 -4.45 1.62 7.64 -1.26 -4.87 113.62 105.05 2rpr n SER 27 Ca -0.10 0.24 -0.25 0.00 1.01 0.00 0.00 58.87 59.77 2rpr n SER 27 Cb 0.59 -4.05 -0.10 0.00 -1.01 0.00 0.00 64.21 59.65 2rpr n SER 27 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2rpr s PHE 28 N -2.63 2.01 -0.05 1.43 0.08 -0.76 -3.97 117.98 114.10 2rpr s PHE 28 Ca 0.00 -0.98 0.04 0.00 0.12 0.00 0.00 56.93 56.11 2rpr s PHE 28 Cb 0.00 -1.39 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 2rpr s PHE 28 CO 0.00 0.05 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.49 2rpr s LEU 29 N -3.61 1.90 0.29 -0.37 1.43 -1.26 -1.92 118.68 115.15 2rpr s LEU 29 Ca 0.29 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 2rpr s LEU 29 Cb 0.07 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 2rpr s LEU 29 CO 0.14 0.14 0.01 -0.31 0.23 0.00 0.00 176.35 176.56 2rpr s TYR 30 N 0.12 1.89 -0.04 0.29 1.51 -0.58 -1.42 117.35 119.13 2rpr s TYR 30 Ca -0.06 -0.86 0.02 0.00 -1.01 0.00 0.00 57.07 55.17 2rpr s TYR 30 Cb -0.12 -1.16 0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2rpr s TYR 30 CO 0.03 0.10 -0.08 1.03 -1.11 0.00 0.00 175.55 175.52 2rpr s ARG 31 N -3.83 0.99 -0.18 -0.62 0.52 0.12 -2.10 118.95 113.86 2rpr s ARG 31 Ca 0.32 -0.25 -0.32 0.00 -0.52 0.00 0.00 55.73 54.96 2rpr s ARG 31 Cb 0.06 -0.92 -0.10 0.00 0.52 0.00 0.00 34.95 34.52 2rpr s ARG 31 CO 0.13 0.04 2.06 1.17 0.02 0.00 0.00 175.30 178.72 2rpr n LYS 32 N 3.57 1.91 -0.08 3.54 4.81 -1.26 -0.82 118.16 129.84 2rpr n LYS 32 Ca -0.21 0.62 -0.09 0.00 -0.87 0.00 0.00 58.31 57.77 2rpr n LYS 32 Cb 0.53 -2.79 -0.04 0.00 0.02 0.00 0.00 35.03 32.74 2rpr n LYS 32 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2rpr h GLU 33 N 11.70 0.00 0.00 1.64 4.57 -0.72 -3.48 114.58 128.30 2rpr h GLU 33 Ca -0.41 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.59 2rpr h GLU 33 Cb 1.27 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.82 2rpr h GLU 33 CO 0.97 0.28 -0.03 0.36 -1.18 0.00 0.00 179.01 179.40 2rpr n LYS 34 N -4.59 0.64 -4.37 1.92 -0.00 -1.23 -5.00 118.16 105.54 2rpr n LYS 34 Ca -0.13 -2.12 -0.19 0.00 -0.00 0.00 0.00 58.31 55.88 2rpr n LYS 34 Cb 0.35 2.16 -0.15 0.00 -0.00 0.00 0.00 35.03 37.39 2rpr n LYS 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rpr s ALA 35 N -2.36 0.77 -0.41 0.58 0.00 -1.26 -0.32 121.76 118.75 2rpr s ALA 35 Ca 0.21 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2rpr s ALA 35 Cb -0.02 -0.22 0.49 0.00 0.00 0.00 0.00 23.12 23.37 2rpr s ALA 35 CO 0.15 0.17 1.57 0.00 0.00 0.00 0.00 175.76 177.65 2rpr n ALA 36 N 2.97 5.21 0.00 0.00 0.00 -0.87 -4.98 120.51 122.84 2rpr n ALA 36 Ca -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 49.86 2rpr n ALA 36 Cb 0.56 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.94 1.98 0.01 0.00 0.00 -1.26 -4.25 105.19 100.73 2rpr n GLY 37 Ca 0.47 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.54 -3.50 1.61 0.00 -1.26 -4.99 120.64 113.03 2rpr n GLU 38 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 57.16 56.82 2rpr n GLU 38 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 31.44 30.04 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2rpr s LYS 39 N -3.11 3.19 -0.08 3.44 1.02 -1.26 -4.48 119.74 118.46 2rpr s LYS 39 Ca -0.06 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.04 2rpr s LYS 39 Cb 0.10 -2.80 0.03 0.00 -0.52 0.00 0.00 37.83 34.64 2rpr s LYS 39 CO 0.68 0.10 -0.02 0.08 -0.92 0.00 0.00 175.35 175.27 2rpr s VAL 40 N -2.19 0.51 0.29 3.17 1.01 0.90 -2.05 120.40 122.05 2rpr s VAL 40 Ca 0.43 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 2rpr s VAL 40 Cb -0.09 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 2rpr s VAL 40 CO 0.32 0.28 0.96 -0.31 0.00 0.00 0.00 175.10 176.34 2rpr s TYR 41 N 1.85 3.79 0.05 5.22 1.51 0.56 -0.69 117.35 129.64 2rpr s TYR 41 Ca 0.04 1.83 0.03 0.00 -1.01 0.00 0.00 57.07 57.96 2rpr s TYR 41 Cb -0.12 -2.98 -0.03 0.00 -0.11 0.00 0.00 41.96 38.71 2rpr s TYR 41 CO -0.05 0.22 -0.09 -1.58 -1.11 0.00 0.00 175.55 172.93 2rpr s TRP 42 N -1.40 0.79 -0.01 2.71 0.52 0.16 0.04 118.94 121.74 2rpr s TRP 42 Ca 0.46 -0.52 0.03 0.00 0.02 0.00 0.00 56.10 56.09 2rpr s TRP 42 Cb -0.23 -0.46 -0.00 0.00 -1.15 0.00 0.00 33.47 31.62 2rpr s TRP 42 CO 0.29 -0.06 -0.09 0.00 0.02 0.00 0.00 176.95 177.11 2rpr s MET 43 N -1.76 0.79 -0.53 4.98 0.23 0.00 0.05 119.30 123.06 2rpr s MET 43 Ca -0.07 -0.30 -0.32 0.00 -1.03 0.00 0.00 55.69 53.98 2rpr s MET 43 Cb -0.09 -0.76 -0.12 0.00 -1.53 0.00 0.00 34.83 32.33 2rpr s MET 43 CO 0.00 0.15 2.37 0.00 -2.03 0.00 0.00 175.02 175.51 2rpr h ARG 45 N 14.43 0.00 -1.94 0.00 0.11 -1.50 0.17 114.38 125.65 2rpr h ARG 45 Ca -0.22 0.00 -0.40 0.00 0.10 0.00 0.00 59.98 59.47 2rpr h ARG 45 Cb 1.30 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.24 2rpr h ARG 45 CO 1.14 0.00 0.21 -0.25 0.10 0.00 0.00 179.97 181.17 2rpr n ASP 46 N -3.72 6.17 0.10 0.08 9.92 -1.26 -4.39 116.55 123.44 2rpr n ASP 46 Ca 0.37 -3.01 -0.24 0.00 -0.53 0.00 0.00 54.79 51.39 2rpr n ASP 46 Cb 1.83 -1.25 -0.15 0.00 -0.64 0.00 0.00 41.12 40.91 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 2.76 0.44 -0.00 -1.24 3.07 -0.71 -2.21 115.11 117.22 2rpr h GLN 47 Ca 0.32 -0.75 0.00 0.00 0.09 0.00 0.00 58.65 58.31 2rpr h GLN 47 Cb 0.93 0.28 0.00 0.00 0.08 0.00 0.00 27.48 28.77 2rpr h GLN 47 CO 0.69 1.36 -0.64 0.00 0.09 0.00 0.00 178.83 180.33 2rpr n ALA 48 N -2.81 3.90 -0.11 0.06 0.00 -1.26 -2.52 120.51 117.77 2rpr n ALA 48 Ca -0.22 -0.44 -0.17 0.00 0.00 0.00 0.00 53.44 52.61 2rpr n ALA 48 Cb 1.07 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.41 0.54 -0.90 0.00 3.00 -1.25 -4.56 116.66 112.08 2rpr n ARG 49 Ca 0.06 0.32 -0.07 0.00 -0.00 0.00 0.00 57.85 58.15 2rpr n ARG 49 Cb 0.34 -1.53 0.23 0.00 0.00 0.00 0.00 32.46 31.50 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 -4.41 5.16 -3.93 6.15 4.77 -0.85 -4.96 117.00 118.93 2rpr n LEU 50 Ca -0.30 -3.49 -0.30 0.00 -0.03 0.00 0.00 56.01 51.89 2rpr n LEU 50 Cb 0.63 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2rpr n LEU 50 CO 0.13 1.01 -0.21 0.61 -1.33 0.00 0.00 177.39 177.60 2rpr n GLY 51 N -0.81 -0.41 2.97 -0.72 0.00 -1.05 -4.87 105.19 100.31 2rpr n GLY 51 Ca 0.39 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 4.82 1.97 -1.38 0.00 5.12 -1.26 -3.61 116.66 122.31 2rpr n ARG 53 Ca -0.15 -1.44 -0.50 0.00 -1.93 0.00 0.00 57.85 53.83 2rpr n ARG 53 Cb 0.49 -1.45 -0.13 0.00 -1.16 0.00 0.00 32.46 30.21 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 0.69 0.62 -4.92 0.55 2.88 -1.26 -4.56 113.62 107.61 2rpr n SER 54 Ca 0.17 0.41 -0.21 0.00 -1.33 0.00 0.00 58.87 57.91 2rpr n SER 54 Cb 0.43 -0.94 0.05 0.00 -0.75 0.00 0.00 64.21 63.01 2rpr n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rpr n ARG 55 N 8.02 0.62 -3.71 -1.46 1.74 -1.26 -0.82 116.66 119.80 2rpr n ARG 55 Ca 0.59 -3.23 -0.07 0.00 -0.77 0.00 0.00 57.85 54.37 2rpr n ARG 55 Cb 0.01 -0.06 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 2rpr n ARG 55 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rpr s ALA 56 N -2.73 -1.48 -0.08 7.54 0.00 0.11 -2.61 121.76 122.51 2rpr s ALA 56 Ca 0.52 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2rpr s ALA 56 Cb -0.04 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.85 2rpr s ALA 56 CO 0.33 -0.95 -0.06 0.42 0.00 0.00 0.00 175.76 175.50 2rpr s ILE 57 N -3.62 0.82 -0.06 0.00 1.01 0.14 0.37 121.20 119.86 2rpr s ILE 57 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2rpr s ILE 57 Cb -0.03 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 2rpr s ILE 57 CO 0.00 0.32 -0.03 0.42 0.00 0.00 0.00 174.94 175.64 2rpr s THR 58 N 1.40 3.97 -0.20 2.92 -4.23 0.13 0.66 115.64 120.29 2rpr s THR 58 Ca -0.02 -0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 2rpr s THR 58 Cb -0.13 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.13 2rpr s THR 58 CO -0.04 0.54 0.27 0.00 -0.54 0.00 0.00 174.62 174.86 2rpr s GLN 59 N -1.02 0.23 3.87 3.99 -2.07 -1.21 -0.07 119.66 123.39 2rpr s GLN 59 Ca 0.14 0.39 0.00 0.00 -1.82 0.00 0.00 55.36 54.07 2rpr s GLN 59 Cb -0.11 -0.82 0.00 0.00 -1.09 0.00 0.00 33.01 30.99 2rpr s GLN 59 CO 0.04 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 173.82 2rpr n GLY 60 N 5.34 1.86 0.01 2.60 0.00 -1.26 -3.18 105.19 110.55 2rpr n GLY 60 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.93 1.61 -0.00 -1.26 -5.05 115.22 106.59 2rpr n HIS 61 Ca 0.00 -0.28 -0.15 0.00 -0.00 0.00 0.00 57.72 57.29 2rpr n HIS 61 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 29.95 2rpr n HIS 61 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2rpr n ARG 62 N -0.29 1.17 -3.75 1.57 5.12 -1.19 -3.03 116.66 116.26 2rpr n ARG 62 Ca 0.00 -1.82 -0.12 0.00 -1.93 0.00 0.00 57.85 53.98 2rpr n ARG 62 Cb 0.37 0.30 -0.08 0.00 -1.16 0.00 0.00 32.46 31.89 2rpr n ARG 62 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2rpr s ILE 63 N -1.58 0.07 0.04 0.55 2.07 -1.26 -3.31 121.20 117.78 2rpr s ILE 63 Ca 0.11 -0.58 0.03 0.00 -1.41 0.00 0.00 60.65 58.79 2rpr s ILE 63 Cb -0.01 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.75 2rpr s ILE 63 CO 0.07 -0.32 -0.09 -0.04 -1.91 0.00 0.00 174.94 172.64 2rpr s MET 64 N -2.03 0.61 -0.05 3.50 -1.94 0.21 -4.96 119.30 114.64 2rpr s MET 64 Ca -0.09 -0.74 0.05 0.00 -1.71 0.00 0.00 55.69 53.20 2rpr s MET 64 Cb -0.03 -0.46 -0.02 0.00 2.01 0.00 0.00 34.83 36.34 2rpr s MET 64 CO 0.00 0.10 -0.20 0.08 -0.01 0.00 0.00 175.02 174.98 2rpr s VAL 65 N -1.20 2.53 -0.12 -6.03 1.01 -1.26 0.24 120.40 115.56 2rpr s VAL 65 Ca -0.06 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 2rpr s VAL 65 Cb -0.09 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 2rpr s VAL 65 CO 0.01 0.58 -0.21 0.23 0.00 0.00 0.00 175.10 175.70 2rpr n MET 66 N 2.58 0.34 -4.00 2.72 2.81 -1.07 -4.94 117.12 115.56 2rpr n MET 66 Ca -0.17 0.14 -0.21 0.00 -1.81 0.00 0.00 57.70 55.65 2rpr n MET 66 Cb 0.52 -1.08 -0.03 0.00 -0.71 0.00 0.00 33.22 31.92 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 -2.42 3.17 0.45 0.03 1.81 -1.24 -4.98 118.95 115.78 2rpr s ARG 67 Ca -0.21 -0.92 0.03 0.00 -1.72 0.00 0.00 55.73 52.91 2rpr s ARG 67 Cb 0.06 -2.73 0.01 0.00 -0.45 0.00 0.00 34.95 31.84 2rpr s ARG 67 CO 0.28 0.38 0.64 -1.54 -0.68 0.00 0.00 175.30 174.38 2rpr s SER 68 N -3.93 5.68 -0.18 0.23 1.04 -1.26 -4.41 113.70 110.86 2rpr s SER 68 Ca 0.34 -0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.69 2rpr s SER 68 Cb -0.08 -1.14 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 2rpr s SER 68 CO 0.27 -0.78 0.05 -1.00 0.98 0.00 0.00 173.24 172.77 2rpr s HIS 69 N -2.50 3.24 -1.58 5.02 0.09 -1.26 -4.15 115.29 114.14 2rpr s HIS 69 Ca 0.51 0.05 0.09 0.00 -0.00 0.00 0.00 55.06 55.71 2rpr s HIS 69 Cb -0.10 -2.07 0.32 0.00 -0.00 0.00 0.00 32.58 30.73 2rpr s HIS 69 CO 0.36 0.14 1.19 0.00 -0.00 0.00 0.00 174.74 176.44 2rpr s HIS 71 N -1.63 1.66 0.10 0.00 -3.43 -1.26 -5.12 115.29 105.61 2rpr s HIS 71 Ca 0.23 -1.23 0.03 0.00 -0.80 0.00 0.00 55.06 53.29 2rpr s HIS 71 Cb 0.14 -0.98 -0.04 0.00 -1.43 0.00 0.00 32.58 30.27 2rpr s HIS 71 CO 0.13 -0.35 0.12 -0.65 -2.00 0.00 0.00 174.74 171.99 2rpr s GLN 72 N -3.89 2.97 0.58 -0.38 1.11 -1.26 -5.10 119.66 113.70 2rpr s GLN 72 Ca 0.35 -0.70 -0.18 0.00 0.01 0.00 0.00 55.36 54.84 2rpr s GLN 72 Cb 0.06 -2.75 -0.04 0.00 -1.01 0.00 0.00 33.01 29.27 2rpr s GLN 72 CO 0.15 0.55 1.12 -1.25 0.01 0.00 0.00 175.29 175.88 2rpr s PRO 73 N -2.61 3.18 -0.82 2.91 0.04 -1.26 -5.01 135.00 131.43 2rpr s PRO 73 Ca 0.31 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 2rpr s PRO 73 Cb -0.12 -1.99 0.20 0.00 0.04 0.00 0.00 34.50 32.64 2rpr s PRO 73 CO 0.23 -0.97 0.68 0.34 0.04 0.00 0.00 177.00 177.32 2rpr s ASP 74 N -2.03 5.66 0.51 6.66 -1.08 -1.25 -4.90 116.67 120.24 2rpr s ASP 74 Ca 0.71 -3.63 0.20 0.00 -0.52 0.00 0.00 52.55 49.31 2rpr s ASP 74 Cb -0.23 -1.85 1.07 0.00 -1.46 0.00 0.00 42.92 40.45 2rpr s ASP 74 CO 0.31 -0.19 1.55 -0.07 0.52 0.00 0.00 175.17 177.30 2rpr h LEU 75 N 6.03 0.00 0.00 -1.34 3.38 -1.95 0.47 115.31 121.90 2rpr h LEU 75 Ca 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2rpr h LEU 75 Cb 0.82 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2rpr h LEU 75 CO 0.81 0.00 -0.87 0.00 0.09 0.00 0.00 178.44 178.47 2rpr h ALA 76 N 1.13 0.13 -0.78 1.53 0.00 -1.99 -3.19 119.26 116.09 2rpr h ALA 76 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 54.91 54.09 2rpr h ALA 76 Cb 0.77 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2rpr h ALA 76 CO 0.00 0.60 0.52 0.78 0.00 0.00 0.00 179.25 181.14 2rpr h GLY 77 N -1.00 1.10 0.56 0.00 0.00 -1.68 -2.25 103.07 99.81 2rpr h GLY 77 Ca -0.17 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2rpr h GLY 77 CO -0.10 0.34 -0.03 -2.00 0.00 0.00 0.00 176.54 174.75 2rpr h LEU 78 N 0.98 -0.07 -1.91 3.11 5.85 -1.15 -3.03 115.31 119.09 2rpr h LEU 78 Ca 0.31 -0.40 0.19 0.00 0.84 0.00 0.00 57.88 58.82 2rpr h LEU 78 Cb 0.02 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2rpr h LEU 78 CO -0.09 0.37 0.49 -0.33 -0.34 0.00 0.00 178.44 178.55 2rpr h GLU 79 N -0.52 0.08 0.00 1.25 5.08 -1.49 0.34 114.58 119.33 2rpr h GLU 79 Ca -0.01 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2rpr h GLU 79 Cb 0.46 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2rpr h GLU 79 CO 0.01 0.05 -0.39 0.00 -1.00 0.00 0.00 179.01 177.69 2rpr h ALA 80 N 1.66 1.22 0.19 3.43 0.00 -1.29 -0.21 119.26 124.26 2rpr h ALA 80 Ca 0.34 -0.35 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 2rpr h ALA 80 Cb 1.21 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.97 2rpr h ALA 80 CO -0.03 0.48 -1.36 -0.07 0.00 0.00 0.00 179.25 178.27 2rpr h LEU 81 N 0.00 0.79 -0.14 0.00 3.38 -0.28 -2.93 115.31 116.12 2rpr h LEU 81 Ca -0.00 -0.80 -0.16 0.00 0.09 0.00 0.00 57.88 57.01 2rpr h LEU 81 Cb 0.75 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2rpr h LEU 81 CO 0.05 1.61 -0.53 0.03 0.09 0.00 0.00 178.44 179.70 2rpr h ARG 82 N 0.18 0.61 -0.36 1.13 3.08 -1.29 -2.04 114.38 115.69 2rpr h ARG 82 Ca -0.21 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.38 2rpr h ARG 82 Cb 2.05 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 32.17 2rpr h ARG 82 CO 0.25 1.09 0.24 -0.56 -1.07 0.00 0.00 179.97 179.92 2rpr h GLN 83 N 0.25 0.48 -0.11 0.04 3.07 -1.15 -2.41 115.11 115.28 2rpr h GLN 83 Ca -0.03 -0.03 -0.09 0.00 0.09 0.00 0.00 58.65 58.59 2rpr h GLN 83 Cb 1.16 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.60 2rpr h GLN 83 CO 0.11 0.32 -0.35 0.07 0.09 0.00 0.00 178.83 179.07 2rpr h ARG 84 N 0.49 0.23 -0.72 0.06 -0.00 -1.56 -3.20 114.38 109.68 2rpr h ARG 84 Ca 0.13 -0.10 0.16 0.00 -0.00 0.00 0.00 59.98 60.18 2rpr h ARG 84 Cb -0.05 -0.01 -0.14 0.00 -0.00 0.00 0.00 29.97 29.77 2rpr h ARG 84 CO -0.03 0.56 -0.11 -1.91 -0.00 0.00 0.00 179.97 178.48 2rpr n GLU 85 N -4.08 -0.06 -2.95 0.08 0.00 -0.77 -4.26 120.64 108.60 2rpr n GLU 85 Ca -0.01 1.11 -0.30 0.00 0.00 0.00 0.00 57.16 57.96 2rpr n GLU 85 Cb 0.43 -1.70 -0.03 0.00 0.00 0.00 0.00 31.44 30.14 2rpr n GLU 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2rpr s ARG 86 N -5.81 3.77 0.00 5.31 0.52 -1.21 -5.06 118.95 116.46 2rpr s ARG 86 Ca -0.10 0.41 0.27 0.00 -0.52 0.00 0.00 55.73 55.79 2rpr s ARG 86 Cb 0.20 -2.43 1.63 0.00 0.52 0.00 0.00 34.95 34.87 2rpr s ARG 86 CO 0.56 0.01 1.98 1.28 0.02 0.00 0.00 175.30 179.16