#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 -0.98 0.28 1.61 7.64 -1.26 -4.68 113.62 116.24 2rpr n SER 2 Ca 0.00 -0.18 0.14 0.00 1.01 0.00 0.00 58.87 59.84 2rpr n SER 2 Cb 0.00 -0.91 0.85 0.00 -1.01 0.00 0.00 64.21 63.14 2rpr n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2rpr h SER 3 N -0.27 0.00 -0.88 6.43 0.02 -2.11 -3.43 113.55 113.32 2rpr h SER 3 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2rpr h SER 3 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2rpr h SER 3 CO 0.28 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 2rpr n GLY 4 N -1.06 0.95 3.44 -3.77 0.00 -1.26 -5.13 105.19 98.34 2rpr n GLY 4 Ca -0.03 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.00 -0.69 0.00 1.61 0.15 -1.26 -5.02 113.70 107.48 2rpr s SER 5 Ca 0.00 1.19 0.09 0.00 0.70 0.00 0.00 55.95 57.93 2rpr s SER 5 Cb 0.00 1.21 0.15 0.00 -1.71 0.00 0.00 66.02 65.66 2rpr s SER 5 CO 0.00 -0.22 0.96 -0.24 1.20 0.00 0.00 173.24 174.94 2rpr n SER 6 N 4.54 2.17 0.00 5.45 2.88 -1.26 -4.91 113.62 122.49 2rpr n SER 6 Ca -0.19 -1.63 0.00 0.00 -1.33 0.00 0.00 58.87 55.71 2rpr n SER 6 Cb 0.55 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.44 -0.11 3.21 0.46 0.00 -1.26 -5.10 105.19 102.84 2rpr n GLY 7 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 5.82 0.33 0.99 2.96 -1.26 -5.07 118.68 122.45 2rpr s LEU 8 Ca 0.00 -2.25 -0.26 0.00 -0.22 0.00 0.00 54.13 51.40 2rpr s LEU 8 Cb 0.00 -2.02 -0.09 0.00 0.50 0.00 0.00 46.19 44.57 2rpr s LEU 8 CO 0.00 -0.61 1.00 -0.60 -1.32 0.00 0.00 176.35 174.82 2rpr s ARG 9 N 0.86 4.49 0.80 1.98 3.00 -1.26 -4.99 118.95 123.82 2rpr s ARG 9 Ca 0.10 1.46 -0.13 0.00 -1.00 0.00 0.00 55.73 56.16 2rpr s ARG 9 Cb -0.22 -2.81 0.20 0.00 0.00 0.00 0.00 34.95 32.11 2rpr s ARG 9 CO -0.03 0.16 0.71 -0.35 0.00 0.00 0.00 175.30 175.79 2rpr n PRO 10 N 0.53 -2.41 -4.13 5.12 -0.04 -1.26 -4.34 135.00 128.48 2rpr n PRO 10 Ca 0.02 -1.13 -0.15 0.00 -0.04 0.00 0.00 63.50 62.20 2rpr n PRO 10 Cb 0.49 -1.06 -0.13 0.00 -0.04 0.00 0.00 33.50 32.75 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 2.09 0.05 1.53 2.96 -1.19 -4.85 118.68 119.27 2rpr s LEU 11 Ca 0.46 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 2rpr s LEU 11 Cb -0.05 -0.24 -0.05 0.00 0.50 0.00 0.00 46.19 46.36 2rpr s LEU 11 CO 0.35 -0.02 0.26 -0.70 -1.32 0.00 0.00 176.35 174.92 2rpr s GLU 12 N -0.60 3.53 0.27 1.98 2.12 -1.26 -5.07 118.70 119.67 2rpr s GLU 12 Ca -0.02 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.12 2rpr s GLU 12 Cb -0.05 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 2rpr s GLU 12 CO 0.00 0.60 0.15 -0.06 -0.54 0.00 0.00 175.26 175.41 2rpr s PHE 13 N -1.44 1.50 0.07 5.30 0.40 -1.26 -2.22 117.98 120.34 2rpr s PHE 13 Ca 0.32 -1.35 -0.10 0.00 -0.60 0.00 0.00 56.93 55.21 2rpr s PHE 13 Cb -0.13 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.61 2rpr s PHE 13 CO 0.22 -0.53 0.21 -0.51 0.70 0.00 0.00 175.22 175.31 2rpr s LEU 14 N -3.32 1.31 -0.10 -0.37 1.43 -0.27 -4.77 118.68 112.60 2rpr s LEU 14 Ca 0.37 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2rpr s LEU 14 Cb 0.06 1.09 0.01 0.00 0.03 0.00 0.00 46.19 47.37 2rpr s LEU 14 CO 0.16 -0.68 -0.17 -0.13 0.23 0.00 0.00 176.35 175.76 2rpr s ARG 15 N -3.43 2.35 0.05 1.70 0.52 -1.26 0.79 118.95 119.67 2rpr s ARG 15 Ca 0.02 -0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 54.49 2rpr s ARG 15 Cb 0.03 -1.90 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 2rpr s ARG 15 CO -0.09 0.03 0.38 0.95 0.02 0.00 0.00 175.30 176.60 2rpr s THR 16 N 0.70 5.11 0.65 0.02 -4.23 0.42 -4.89 115.64 113.43 2rpr s THR 16 Ca -0.12 0.51 0.39 0.00 -1.18 0.00 0.00 61.69 61.28 2rpr s THR 16 Cb -0.16 -3.64 0.40 0.00 1.34 0.00 0.00 72.50 70.44 2rpr s THR 16 CO 0.03 0.37 2.24 0.28 -0.54 0.00 0.00 174.62 177.01 2rpr h SER 17 N 4.01 0.00 -0.04 3.99 0.02 -2.01 -2.67 113.55 116.86 2rpr h SER 17 Ca -0.50 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.38 2rpr h SER 17 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2rpr h SER 17 CO 0.65 0.00 -0.06 0.18 -1.14 0.00 0.00 176.83 176.45 2rpr n LEU 18 N -3.20 5.40 -1.18 5.07 4.32 -1.26 -4.71 117.00 121.44 2rpr n LEU 18 Ca -0.02 -2.66 -0.08 0.00 -0.02 0.00 0.00 56.01 53.22 2rpr n LEU 18 Cb 0.16 -1.20 -0.04 0.00 -1.62 0.00 0.00 43.42 40.73 2rpr n LEU 18 CO 0.20 1.19 -0.08 0.61 -1.22 0.00 0.00 177.39 178.10 2rpr n GLY 19 N 1.67 0.78 3.85 -0.72 0.00 -1.02 -4.89 105.19 104.85 2rpr n GLY 19 Ca 0.12 0.00 -0.21 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 -1.68 1.86 -0.12 -0.02 0.00 -1.13 -4.98 107.32 101.24 2rpr s GLY 20 Ca 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.02 2rpr s GLY 20 CO 0.00 -1.62 -0.17 -1.60 0.00 0.00 0.00 173.10 169.72 2rpr s ARG 21 N -4.01 2.42 0.43 2.90 3.52 -1.26 -0.43 118.95 122.51 2rpr s ARG 21 Ca 0.42 -0.63 0.08 0.00 -0.13 0.00 0.00 55.73 55.47 2rpr s ARG 21 Cb -0.05 -2.05 0.01 0.00 -1.56 0.00 0.00 34.95 31.30 2rpr s ARG 21 CO 0.26 -0.09 0.56 -0.06 -0.81 0.00 0.00 175.30 175.17 2rpr s PHE 22 N 1.04 2.68 -0.01 5.12 0.40 0.24 -3.49 117.98 123.96 2rpr s PHE 22 Ca -0.04 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 2rpr s PHE 22 Cb -0.15 -2.34 0.00 0.00 0.51 0.00 0.00 43.02 41.05 2rpr s PHE 22 CO -0.03 -0.44 -0.01 -1.17 0.70 0.00 0.00 175.22 174.27 2rpr s LEU 23 N -4.34 1.84 -0.21 -0.37 2.96 -0.63 -1.11 118.68 116.82 2rpr s LEU 23 Ca 0.54 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.36 2rpr s LEU 23 Cb -0.09 -0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.49 2rpr s LEU 23 CO 0.33 -0.01 0.07 -0.69 -1.32 0.00 0.00 176.35 174.73 2rpr s VAL 24 N 0.17 4.67 -0.27 1.68 1.01 -0.94 -0.84 120.40 125.87 2rpr s VAL 24 Ca -0.01 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 2rpr s VAL 24 Cb -0.03 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.30 2rpr s VAL 24 CO -0.00 0.41 0.69 -2.28 0.00 0.00 0.00 175.10 173.92 2rpr s HIS 25 N 0.81 -0.99 -1.46 5.22 5.04 -0.43 -4.20 115.29 119.27 2rpr s HIS 25 Ca 0.04 2.07 -0.11 0.00 -1.54 0.00 0.00 55.06 55.51 2rpr s HIS 25 Cb -0.13 0.55 0.07 0.00 0.04 0.00 0.00 32.58 33.10 2rpr s HIS 25 CO 0.02 -0.49 0.77 0.39 -2.34 0.00 0.00 174.74 173.09 2rpr n GLU 26 N 3.95 -4.77 -2.07 2.88 -0.58 -1.26 0.08 120.64 118.88 2rpr n GLU 26 Ca -0.19 0.61 -0.18 0.00 -0.42 0.00 0.00 57.16 56.99 2rpr n GLU 26 Cb 0.58 -5.44 -0.03 0.00 -0.57 0.00 0.00 31.44 25.97 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 -5.18 -4.40 1.62 7.64 -1.26 -4.86 113.62 104.57 2rpr n SER 27 Ca 0.00 0.13 -0.20 0.00 1.01 0.00 0.00 58.87 59.81 2rpr n SER 27 Cb 0.55 -4.26 -0.10 0.00 -1.01 0.00 0.00 64.21 59.39 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 -2.81 1.85 -0.06 1.43 0.08 0.11 -3.98 117.98 114.60 2rpr s PHE 28 Ca 0.00 -0.71 0.04 0.00 0.12 0.00 0.00 56.93 56.37 2rpr s PHE 28 Cb 0.00 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2rpr s PHE 28 CO 0.00 0.24 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.69 2rpr s LEU 29 N -3.40 2.60 0.31 -0.37 1.43 -1.26 -1.31 118.68 116.67 2rpr s LEU 29 Ca 0.28 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 2rpr s LEU 29 Cb 0.03 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 2rpr s LEU 29 CO 0.10 0.30 0.01 -0.31 0.23 0.00 0.00 176.35 176.69 2rpr s TYR 30 N -0.46 1.96 -0.14 0.29 1.51 -0.02 -1.15 117.35 119.34 2rpr s TYR 30 Ca 0.06 -0.86 -0.00 0.00 -1.01 0.00 0.00 57.07 55.25 2rpr s TYR 30 Cb -0.12 -1.23 0.03 0.00 -0.11 0.00 0.00 41.96 40.53 2rpr s TYR 30 CO 0.02 0.11 -0.08 1.03 -1.11 0.00 0.00 175.55 175.52 2rpr s ARG 31 N -3.83 1.59 -0.46 -0.62 0.52 0.14 -1.60 118.95 114.69 2rpr s ARG 31 Ca 0.34 -0.38 -0.45 0.00 -0.52 0.00 0.00 55.73 54.72 2rpr s ARG 31 Cb 0.07 -1.80 -0.19 0.00 0.52 0.00 0.00 34.95 33.56 2rpr s ARG 31 CO 0.14 -0.32 1.81 1.17 0.02 0.00 0.00 175.30 178.12 2rpr n LYS 32 N 4.90 0.20 -0.09 3.54 4.81 -1.23 -1.90 118.16 128.39 2rpr n LYS 32 Ca -0.13 0.07 -0.15 0.00 -0.87 0.00 0.00 58.31 57.23 2rpr n LYS 32 Cb 0.49 -1.63 -0.07 0.00 0.02 0.00 0.00 35.03 33.85 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 5.41 0.52 -3.50 1.64 2.13 0.19 -4.89 120.64 122.14 2rpr n GLU 33 Ca 0.38 0.51 -0.11 0.00 0.66 0.00 0.00 57.16 58.60 2rpr n GLU 33 Cb -0.02 -1.69 -0.01 0.00 0.27 0.00 0.00 31.44 30.00 2rpr n GLU 33 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2rpr n LYS 34 N -4.49 0.73 -3.75 5.31 2.85 -1.20 -5.00 118.16 112.61 2rpr n LYS 34 Ca -0.24 -2.18 -0.12 0.00 -1.05 0.00 0.00 58.31 54.72 2rpr n LYS 34 Cb 0.54 2.30 -0.12 0.00 -0.65 0.00 0.00 35.03 37.10 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 -2.33 -0.70 -0.51 0.58 0.00 -1.26 -0.34 121.76 117.19 2rpr s ALA 35 Ca 0.20 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.15 2rpr s ALA 35 Cb -0.02 -0.59 0.51 0.00 0.00 0.00 0.00 23.12 23.02 2rpr s ALA 35 CO 0.15 -0.17 1.81 0.00 0.00 0.00 0.00 175.76 177.54 2rpr n ALA 36 N 3.56 5.72 0.00 0.00 0.00 0.04 -4.95 120.51 124.88 2rpr n ALA 36 Ca -0.19 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 49.89 2rpr n ALA 36 Cb 0.56 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.90 0.07 0.00 0.00 -1.26 -4.02 105.19 100.91 2rpr n GLY 37 Ca 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 0.86 -4.10 1.61 1.02 -1.26 -4.98 120.64 113.78 2rpr n GLU 38 Ca 0.00 -0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.86 2rpr n GLU 38 Cb 0.00 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 29.90 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2rpr s LYS 39 N -2.74 2.96 -0.10 3.49 1.02 -1.26 -4.22 119.74 118.90 2rpr s LYS 39 Ca -0.09 -1.03 -0.02 0.00 0.02 0.00 0.00 55.97 54.85 2rpr s LYS 39 Cb 0.08 -2.59 0.04 0.00 -0.52 0.00 0.00 37.83 34.84 2rpr s LYS 39 CO 0.78 0.40 0.04 0.08 -0.92 0.00 0.00 175.35 175.74 2rpr s VAL 40 N -2.12 0.16 0.34 3.17 1.01 -0.72 -0.78 120.40 121.47 2rpr s VAL 40 Ca 0.33 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 2rpr s VAL 40 Cb -0.08 -0.49 -0.10 0.00 0.00 0.00 0.00 36.38 35.71 2rpr s VAL 40 CO 0.25 0.07 0.92 -0.31 0.00 0.00 0.00 175.10 176.03 2rpr s TYR 41 N 2.05 3.59 0.03 5.22 1.51 0.54 -0.99 117.35 129.29 2rpr s TYR 41 Ca 0.04 1.69 0.01 0.00 -1.01 0.00 0.00 57.07 57.80 2rpr s TYR 41 Cb -0.14 -2.86 -0.02 0.00 -0.11 0.00 0.00 41.96 38.83 2rpr s TYR 41 CO -0.06 0.14 -0.06 -1.58 -1.11 0.00 0.00 175.55 172.89 2rpr s TRP 42 N -1.75 0.51 -0.07 2.71 0.52 0.16 -0.64 118.94 120.38 2rpr s TRP 42 Ca 0.52 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.20 2rpr s TRP 42 Cb -0.16 -0.32 0.02 0.00 -1.15 0.00 0.00 33.47 31.86 2rpr s TRP 42 CO 0.21 -0.10 -0.07 0.00 0.02 0.00 0.00 176.95 177.00 2rpr s MET 43 N -1.35 1.24 -0.40 4.98 0.23 -0.80 -0.47 119.30 122.73 2rpr s MET 43 Ca -0.10 -0.22 -0.44 0.00 -1.03 0.00 0.00 55.69 53.90 2rpr s MET 43 Cb -0.09 -1.19 -0.19 0.00 -1.53 0.00 0.00 34.83 31.83 2rpr s MET 43 CO -0.00 -0.10 1.61 0.00 -2.03 0.00 0.00 175.02 174.50 2rpr h ARG 45 N 5.54 0.00 -0.70 0.00 0.11 -1.39 0.52 114.38 118.46 2rpr h ARG 45 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2rpr h ARG 45 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2rpr h ARG 45 CO 0.95 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.77 2rpr n ASP 46 N -2.54 2.55 0.13 0.08 8.00 -1.26 -3.90 116.55 119.61 2rpr n ASP 46 Ca -0.02 -2.28 0.13 0.00 0.71 0.00 0.00 54.79 53.34 2rpr n ASP 46 Cb 0.35 -0.48 0.40 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.62 0.00 0.01 -1.24 -0.00 0.01 0.96 115.11 116.47 2rpr h GLN 47 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.30 2rpr h GLN 47 Cb 0.91 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.33 2rpr h GLN 47 CO 0.15 0.00 -2.21 0.00 -0.00 0.00 0.00 178.83 176.77 2rpr n ALA 48 N -1.83 1.43 -0.06 0.06 0.00 -1.25 -3.73 120.51 115.12 2rpr n ALA 48 Ca 0.05 -1.09 -0.06 0.00 0.00 0.00 0.00 53.44 52.34 2rpr n ALA 48 Cb 0.41 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.99 0.39 -0.10 0.00 3.00 -1.23 -4.47 116.66 111.26 2rpr n ARG 49 Ca -0.32 0.21 0.01 0.00 -0.00 0.00 0.00 57.85 57.76 2rpr n ARG 49 Cb 1.09 -1.24 0.06 0.00 0.00 0.00 0.00 32.46 32.37 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 -3.98 1.24 -3.17 6.15 4.77 0.17 -4.86 117.00 117.32 2rpr n LEU 50 Ca -0.10 -0.62 -0.16 0.00 -0.03 0.00 0.00 56.01 55.10 2rpr n LEU 50 Cb 0.36 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2rpr n LEU 50 CO 0.14 0.24 -0.06 0.61 -1.33 0.00 0.00 177.39 176.99 2rpr n GLY 51 N 0.37 -0.47 3.59 -0.72 0.00 -0.51 -4.82 105.19 102.62 2rpr n GLY 51 Ca 0.04 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 8.11 1.50 -1.63 0.00 5.12 -1.26 -3.48 116.66 125.02 2rpr n ARG 53 Ca 0.13 -0.61 -0.43 0.00 -1.93 0.00 0.00 57.85 55.01 2rpr n ARG 53 Cb 0.49 -1.27 -0.03 0.00 -1.16 0.00 0.00 32.46 30.49 2rpr n ARG 53 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2rpr s SER 54 N -0.79 5.79 -0.04 0.55 0.15 -1.26 -4.82 113.70 113.28 2rpr s SER 54 Ca 0.11 2.15 0.07 0.00 0.70 0.00 0.00 55.95 58.98 2rpr s SER 54 Cb 0.07 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 2rpr s SER 54 CO 0.06 -1.66 -0.24 -0.13 1.20 0.00 0.00 173.24 172.47 2rpr s ARG 55 N 5.72 2.35 0.21 5.44 0.52 -1.26 -0.86 118.95 131.06 2rpr s ARG 55 Ca 0.96 -0.89 0.08 0.00 -0.52 0.00 0.00 55.73 55.36 2rpr s ARG 55 Cb -0.36 -2.13 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 2rpr s ARG 55 CO 0.37 0.49 -0.14 0.00 0.02 0.00 0.00 175.30 176.04 2rpr s ALA 56 N -0.43 2.03 -0.08 2.13 0.00 0.38 -0.60 121.76 125.20 2rpr s ALA 56 Ca 0.04 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.34 2rpr s ALA 56 Cb -0.12 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2rpr s ALA 56 CO 0.01 0.05 -0.12 0.42 0.00 0.00 0.00 175.76 176.12 2rpr s ILE 57 N -2.98 1.18 0.02 0.00 1.01 0.12 0.40 121.20 120.95 2rpr s ILE 57 Ca 0.23 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2rpr s ILE 57 Cb -0.00 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2rpr s ILE 57 CO 0.07 0.37 0.15 0.42 0.00 0.00 0.00 174.94 175.95 2rpr s THR 58 N 0.81 5.11 -0.22 2.92 -4.23 -0.16 0.96 115.64 120.83 2rpr s THR 58 Ca -0.12 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 59.99 2rpr s THR 58 Cb -0.15 -3.41 0.09 0.00 1.34 0.00 0.00 72.50 70.37 2rpr s THR 58 CO 0.02 0.26 0.17 -1.58 -0.54 0.00 0.00 174.62 172.95 2rpr s GLN 59 N -2.08 0.17 2.57 3.99 -0.44 -1.09 -1.75 119.66 121.02 2rpr s GLN 59 Ca 0.28 -0.07 0.00 0.00 -2.50 0.00 0.00 55.36 53.08 2rpr s GLN 59 Cb -0.12 -1.33 0.00 0.00 -1.64 0.00 0.00 33.01 29.92 2rpr s GLN 59 CO 0.20 -0.78 0.00 0.41 0.50 0.00 0.00 175.29 175.63 2rpr n GLY 60 N 5.29 1.20 0.00 2.59 0.00 -1.26 -1.70 105.19 111.31 2rpr n GLY 60 Ca -0.06 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.60 1.61 -0.00 -1.26 -5.02 115.22 106.95 2rpr n HIS 61 Ca 0.00 -0.19 -0.15 0.00 0.46 0.00 0.00 57.72 57.84 2rpr n HIS 61 Cb 0.00 -0.02 0.01 0.00 -0.12 0.00 0.00 29.99 29.86 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 -0.19 0.95 -3.74 1.57 1.74 -0.69 -3.17 116.66 113.13 2rpr n ARG 62 Ca 0.00 -2.06 -0.12 0.00 -0.77 0.00 0.00 57.85 54.89 2rpr n ARG 62 Cb 0.28 0.16 -0.08 0.00 -1.02 0.00 0.00 32.46 31.80 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 -1.58 0.07 0.03 0.55 2.07 -1.26 -2.68 121.20 118.40 2rpr s ILE 63 Ca 0.22 -0.59 0.02 0.00 -1.41 0.00 0.00 60.65 58.90 2rpr s ILE 63 Cb -0.02 -0.85 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 2rpr s ILE 63 CO 0.14 -0.32 -0.07 -0.04 -1.91 0.00 0.00 174.94 172.74 2rpr s MET 64 N -2.18 0.50 -0.10 3.50 -1.94 0.27 -4.96 119.30 114.40 2rpr s MET 64 Ca -0.08 -0.58 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 2rpr s MET 64 Cb -0.02 -0.34 -0.01 0.00 2.01 0.00 0.00 34.83 36.47 2rpr s MET 64 CO -0.01 0.07 -0.18 0.08 -0.01 0.00 0.00 175.02 174.97 2rpr s VAL 65 N -0.99 2.65 -0.16 -6.03 1.01 -1.26 0.16 120.40 115.78 2rpr s VAL 65 Ca -0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 2rpr s VAL 65 Cb -0.08 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2rpr s VAL 65 CO 0.00 0.55 -0.17 0.23 0.00 0.00 0.00 175.10 175.72 2rpr n MET 66 N 3.26 0.48 -4.43 2.72 2.81 0.23 -4.97 117.12 117.22 2rpr n MET 66 Ca -0.18 0.48 -0.24 0.00 -1.81 0.00 0.00 57.70 55.95 2rpr n MET 66 Cb 0.53 -1.65 -0.09 0.00 -0.71 0.00 0.00 33.22 31.29 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 -2.37 1.82 1.01 0.03 3.52 -1.24 -4.98 118.95 116.74 2rpr s ARG 67 Ca -0.19 -1.70 -0.17 0.00 -0.13 0.00 0.00 55.73 53.54 2rpr s ARG 67 Cb 0.03 -1.85 0.23 0.00 -1.56 0.00 0.00 34.95 31.80 2rpr s ARG 67 CO 0.30 0.33 1.29 0.43 -0.81 0.00 0.00 175.30 176.84 2rpr n SER 68 N -0.69 -0.20 -4.64 -2.12 7.64 -1.26 -4.42 113.62 107.93 2rpr n SER 68 Ca -0.05 -1.43 -0.35 0.00 1.01 0.00 0.00 58.87 58.05 2rpr n SER 68 Cb 0.60 -1.01 -0.10 0.00 -1.01 0.00 0.00 64.21 62.69 2rpr n SER 68 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2rpr s HIS 69 N -3.76 3.08 -1.08 1.43 0.09 -1.26 -4.23 115.29 109.55 2rpr s HIS 69 Ca 0.74 0.12 0.13 0.00 -0.00 0.00 0.00 55.06 56.05 2rpr s HIS 69 Cb -0.03 -1.76 0.55 0.00 -0.00 0.00 0.00 32.58 31.34 2rpr s HIS 69 CO 0.53 0.41 1.41 0.00 -0.00 0.00 0.00 174.74 177.09 2rpr s HIS 71 N -1.88 0.04 0.46 0.00 -3.43 -1.26 -5.09 115.29 104.13 2rpr s HIS 71 Ca 0.38 -0.15 -0.18 0.00 -0.80 0.00 0.00 55.06 54.32 2rpr s HIS 71 Cb 0.26 -0.04 -0.09 0.00 -1.43 0.00 0.00 32.58 31.28 2rpr s HIS 71 CO 0.17 -0.32 0.93 -0.65 -2.00 0.00 0.00 174.74 172.87 2rpr s GLN 72 N -1.61 4.04 0.53 -0.38 -1.52 -1.26 -5.04 119.66 114.42 2rpr s GLN 72 Ca -0.13 0.95 -0.20 0.00 -1.95 0.00 0.00 55.36 54.03 2rpr s GLN 72 Cb -0.06 -2.20 -0.06 0.00 -0.22 0.00 0.00 33.01 30.47 2rpr s GLN 72 CO 0.01 -0.12 1.13 -1.25 -0.25 0.00 0.00 175.29 174.81 2rpr s PRO 73 N -3.62 3.40 -0.64 2.91 0.04 -1.26 -5.02 135.00 130.81 2rpr s PRO 73 Ca 0.59 1.63 0.05 0.00 0.04 0.00 0.00 61.00 63.31 2rpr s PRO 73 Cb -0.10 -2.05 0.16 0.00 0.04 0.00 0.00 34.50 32.56 2rpr s PRO 73 CO 0.23 -0.82 0.44 -0.51 0.04 0.00 0.00 177.00 176.39 2rpr s ASP 74 N -1.73 4.25 0.62 6.66 1.01 -1.26 -4.93 116.67 121.30 2rpr s ASP 74 Ca 0.72 -3.62 0.30 0.00 0.71 0.00 0.00 52.55 50.65 2rpr s ASP 74 Cb -0.24 -1.44 1.61 0.00 1.01 0.00 0.00 42.92 43.86 2rpr s ASP 74 CO 0.28 -0.12 1.97 -0.07 0.21 0.00 0.00 175.17 177.44 2rpr h LEU 75 N 5.58 0.00 -0.16 1.23 3.38 -1.95 0.26 115.31 123.65 2rpr h LEU 75 Ca 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2rpr h LEU 75 Cb 0.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2rpr h LEU 75 CO 0.66 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 179.01 2rpr h ALA 76 N 1.50 0.24 0.03 1.53 0.00 -1.99 -1.60 119.26 118.96 2rpr h ALA 76 Ca 0.10 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 2rpr h ALA 76 Cb 0.80 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2rpr h ALA 76 CO -0.00 0.15 -1.01 0.78 0.00 0.00 0.00 179.25 179.17 2rpr h GLY 77 N 0.04 0.09 1.29 0.00 0.00 -1.48 -3.17 103.07 99.85 2rpr h GLY 77 Ca 0.02 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 2rpr h GLY 77 CO 0.04 0.19 -0.49 -2.00 0.00 0.00 0.00 176.54 174.28 2rpr h LEU 78 N 0.03 0.83 -1.52 3.11 5.85 -1.08 -2.90 115.31 119.63 2rpr h LEU 78 Ca -0.04 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2rpr h LEU 78 Cb 1.73 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 2rpr h LEU 78 CO 0.14 1.18 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.94 2rpr h GLU 79 N 0.60 0.00 -0.36 1.25 5.08 -1.36 -2.80 114.58 116.99 2rpr h GLU 79 Ca 0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2rpr h GLU 79 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2rpr h GLU 79 CO 0.10 0.15 0.04 0.00 -1.00 0.00 0.00 179.01 178.30 2rpr h ALA 80 N 1.85 0.48 0.02 3.43 0.00 -1.48 -1.39 119.26 122.17 2rpr h ALA 80 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2rpr h ALA 80 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2rpr h ALA 80 CO 0.02 0.20 -0.01 -0.07 0.00 0.00 0.00 179.25 179.39 2rpr h LEU 81 N 0.43 -0.02 -2.85 0.00 3.38 -1.55 -2.96 115.31 111.75 2rpr h LEU 81 Ca 0.11 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2rpr h LEU 81 Cb 0.39 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2rpr h LEU 81 CO 0.01 0.47 0.00 0.03 0.09 0.00 0.00 178.44 179.04 2rpr h ARG 82 N -0.52 0.00 0.00 1.13 3.08 -1.53 0.32 114.38 116.86 2rpr h ARG 82 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2rpr h ARG 82 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2rpr h ARG 82 CO 0.00 0.00 -0.37 0.37 -1.07 0.00 0.00 179.97 178.91 2rpr h GLN 83 N 0.00 0.00 0.09 0.04 5.75 -1.07 -3.24 115.11 116.68 2rpr h GLN 83 Ca 0.00 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.19 2rpr h GLN 83 Cb 0.01 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2rpr h GLN 83 CO 0.00 0.37 -1.59 0.00 -2.65 0.00 0.00 178.83 174.95 2rpr h ARG 84 N 0.00 0.20 -0.89 1.69 3.08 -0.91 -3.35 114.38 114.19 2rpr h ARG 84 Ca -0.00 -0.34 0.29 0.00 0.07 0.00 0.00 59.98 60.00 2rpr h ARG 84 Cb 1.12 0.13 -0.16 0.00 0.08 0.00 0.00 29.97 31.13 2rpr h ARG 84 CO 0.05 1.02 0.17 -1.91 -1.07 0.00 0.00 179.97 178.22 2rpr n GLU 85 N -3.38 -0.07 -4.18 0.04 2.13 -1.03 -4.16 120.64 109.99 2rpr n GLU 85 Ca -0.18 1.30 -0.36 0.00 0.66 0.00 0.00 57.16 58.58 2rpr n GLU 85 Cb 1.04 -2.14 -0.08 0.00 0.27 0.00 0.00 31.44 30.52 2rpr n GLU 85 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2rpr s ARG 86 N -5.69 3.17 0.00 5.31 3.03 -1.26 -5.15 118.95 118.36 2rpr s ARG 86 Ca -0.10 -0.30 0.00 0.00 2.03 0.00 0.00 55.73 57.36 2rpr s ARG 86 Cb 0.27 -2.95 0.00 0.00 -1.03 0.00 0.00 34.95 31.25 2rpr s ARG 86 CO 0.69 0.73 0.27 -0.11 -1.13 0.00 0.00 175.30 175.75