#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpp s SER 8 N 0.00 4.67 -0.49 1.61 0.01 -1.26 -5.00 113.70 113.24 2rpp s SER 8 Ca 0.00 -3.61 0.03 0.00 1.31 0.00 0.00 55.95 53.68 2rpp s SER 8 Cb 0.00 -1.63 0.15 0.00 0.21 0.00 0.00 66.02 64.74 2rpp s SER 8 CO 0.00 -0.13 0.31 -0.55 0.41 0.00 0.00 173.24 173.28 2rpp s SER 9 N -1.11 3.54 0.00 2.44 0.15 -1.26 -5.01 113.70 112.45 2rpp s SER 9 Ca 0.23 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.93 2rpp s SER 9 Cb -0.11 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2rpp s SER 9 CO -0.12 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2rpp n GLY 10 N 3.11 0.73 3.57 9.45 0.00 -1.26 -5.09 105.19 115.70 2rpp n GLY 10 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 2rpp n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rpp s SER 11 N -1.00 -0.57 -0.15 1.61 1.04 -1.26 -5.09 113.70 108.28 2rpp s SER 11 Ca 0.00 0.79 -0.13 0.00 0.48 0.00 0.00 55.95 57.09 2rpp s SER 11 Cb 0.00 0.69 -0.06 0.00 0.10 0.00 0.00 66.02 66.75 2rpp s SER 11 CO 0.00 -0.41 -0.27 -1.20 0.98 0.00 0.00 173.24 172.34 2rpp n SER 12 N 1.37 1.68 -0.57 7.02 7.64 -1.26 -5.07 113.62 124.43 2rpp n SER 12 Ca -0.15 0.28 0.07 0.00 1.01 0.00 0.00 58.87 60.08 2rpp n SER 12 Cb 0.57 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 2rpp n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rpp n GLY 13 N 1.84 -1.91 0.00 0.23 0.00 -1.26 -4.10 105.19 99.99 2rpp n GLY 13 Ca -0.21 -1.36 0.08 0.00 0.00 0.00 0.00 46.02 44.53 2rpp n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rpp n PRO 14 N -2.80 0.44 -5.01 1.61 -0.04 -1.26 -4.64 135.00 123.30 2rpp n PRO 14 Ca -0.01 0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.15 2rpp n PRO 14 Cb 0.26 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 2rpp n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rpp s VAL 15 N -2.09 2.63 1.29 0.52 0.11 -1.26 -5.03 120.40 116.57 2rpp s VAL 15 Ca 0.22 -0.85 -0.17 0.00 -2.93 0.00 0.00 61.98 58.25 2rpp s VAL 15 Cb 0.11 -2.03 0.33 0.00 -1.53 0.00 0.00 36.38 33.25 2rpp s VAL 15 CO 0.19 0.56 0.98 -0.13 -3.33 0.00 0.00 175.10 173.37 2rpp s ARG 16 N -0.11 -1.90 0.06 1.54 0.52 -1.26 -4.92 118.95 112.88 2rpp s ARG 16 Ca -0.03 0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 2rpp s ARG 16 Cb -0.14 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 33.87 2rpp s ARG 16 CO 0.04 -4.30 0.00 -3.47 0.02 0.00 0.00 175.30 167.59 2rpp n ASP 17 N -5.28 0.51 -2.26 0.23 2.03 -1.26 -4.79 116.55 105.73 2rpp n ASP 17 Ca 0.07 0.09 -0.24 0.00 0.52 0.00 0.00 54.79 55.22 2rpp n ASP 17 Cb 0.57 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2rpp n ASP 17 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2rpp n THR 18 N -3.23 3.16 -0.10 5.18 -2.24 -1.26 -4.52 114.28 111.27 2rpp n THR 18 Ca 0.00 -2.53 -0.13 0.00 -2.27 0.00 0.00 64.05 59.12 2rpp n THR 18 Cb 0.22 -1.43 -0.04 0.00 -2.10 0.00 0.00 70.33 66.98 2rpp n THR 18 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2rpp h LYS 19 N 2.29 0.78 -0.67 -0.78 1.63 -1.97 -3.12 116.57 114.74 2rpp h LYS 19 Ca 0.39 -0.42 -0.22 0.00 -0.85 0.00 0.00 60.65 59.54 2rpp h LYS 19 Cb 0.77 0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 32.28 2rpp h LYS 19 CO 0.94 1.05 0.24 -2.67 -3.45 0.00 0.00 179.45 175.56 2rpp n TRP 20 N -4.19 2.20 -2.37 1.91 4.27 -1.26 -4.35 117.44 113.65 2rpp n TRP 20 Ca -0.03 -1.29 -0.05 0.00 -3.89 0.00 0.00 57.50 52.24 2rpp n TRP 20 Cb 0.51 -0.65 0.06 0.00 -1.36 0.00 0.00 31.31 29.86 2rpp n TRP 20 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2rpp n LEU 21 N -0.42 2.58 -4.40 5.67 4.77 -1.18 -4.64 117.00 119.38 2rpp n LEU 21 Ca 0.40 -3.45 -0.23 0.00 -0.03 0.00 0.00 56.01 52.70 2rpp n LEU 21 Cb 1.33 0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 42.33 2rpp n LEU 21 CO 0.40 1.29 -0.49 0.42 -1.33 0.00 0.00 177.39 177.68 2rpp s THR 22 N -3.25 2.17 -0.19 -5.08 -4.23 -1.25 -1.31 115.64 102.50 2rpp s THR 22 Ca 0.37 -2.16 -0.15 0.00 -1.18 0.00 0.00 61.69 58.58 2rpp s THR 22 Cb 0.37 -2.10 0.05 0.00 1.34 0.00 0.00 72.50 72.16 2rpp s THR 22 CO -0.05 -0.33 0.48 -0.76 -0.54 0.00 0.00 174.62 173.43 2rpp s LEU 23 N -3.04 -0.03 -0.07 4.79 1.43 -0.67 -4.85 118.68 116.23 2rpp s LEU 23 Ca 0.23 1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 2rpp s LEU 23 Cb -0.05 1.65 -0.06 0.00 0.03 0.00 0.00 46.19 47.76 2rpp s LEU 23 CO 0.10 -0.18 1.73 -1.83 0.23 0.00 0.00 176.35 176.40 2rpp s GLU 24 N 0.72 4.07 0.34 1.70 -1.05 -1.26 -1.74 118.70 121.47 2rpp s GLU 24 Ca -0.04 2.17 -0.29 0.00 -0.15 0.00 0.00 54.97 56.67 2rpp s GLU 24 Cb -0.05 -4.04 -0.10 0.00 -0.44 0.00 0.00 34.13 29.50 2rpp s GLU 24 CO -0.05 -0.99 1.34 0.08 0.95 0.00 0.00 175.26 176.59 2rpp s VAL 25 N 4.48 2.60 -0.09 1.83 1.01 -1.23 -4.11 120.40 124.89 2rpp s VAL 25 Ca 0.77 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.06 2rpp s VAL 25 Cb -0.34 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 2rpp s VAL 25 CO 0.32 0.14 2.01 0.00 0.00 0.00 0.00 175.10 177.56 2rpp h ARG 27 N 12.22 -0.19 -0.60 0.00 -0.00 -1.94 -2.47 114.38 121.41 2rpp h ARG 27 Ca -0.44 0.01 0.07 0.00 -0.50 0.00 0.00 59.98 59.12 2rpp h ARG 27 Cb 1.23 0.04 -0.10 0.00 0.00 0.00 0.00 29.97 31.14 2rpp h ARG 27 CO 0.96 -0.13 -0.55 1.96 0.00 0.00 0.00 179.97 182.22 2rpp h GLN 28 N -0.20 -0.25 -0.80 0.04 7.50 -1.90 -0.37 115.11 119.13 2rpp h GLN 28 Ca 0.02 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.32 2rpp h GLN 28 Cb 0.24 0.06 -0.14 0.00 0.05 0.00 0.00 27.48 27.69 2rpp h GLN 28 CO -0.18 -0.17 -0.27 0.34 -1.50 0.00 0.00 178.83 177.06 2rpp n PHE 29 N -5.35 0.13 0.09 2.96 7.35 -1.01 0.62 117.46 122.24 2rpp n PHE 29 Ca -0.01 0.99 -0.12 0.00 -0.76 0.00 0.00 57.45 57.55 2rpp n PHE 29 Cb 0.32 -0.87 -0.05 0.00 0.35 0.00 0.00 39.48 39.23 2rpp n PHE 29 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2rpp h GLN 30 N 0.00 -0.39 0.00 -4.13 1.08 -0.63 -1.00 115.11 110.04 2rpp h GLN 30 Ca 0.32 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 2rpp h GLN 30 Cb 0.52 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2rpp h GLN 30 CO -0.81 -0.26 -0.07 0.00 -0.95 0.00 0.00 178.83 176.75 2rpp h ARG 31 N -0.40 0.00 -0.30 1.46 3.08 0.38 -3.46 114.38 115.13 2rpp h ARG 31 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2rpp h ARG 31 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2rpp h ARG 31 CO -0.15 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.22 2rpp n GLY 32 N -0.76 1.08 2.19 0.04 0.00 0.20 -5.01 105.19 102.93 2rpp n GLY 32 Ca -0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 2rpp n GLY 32 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rpp n THR 33 N -1.53 1.68 -3.91 2.61 5.66 -1.00 -4.99 114.28 112.80 2rpp n THR 33 Ca 0.00 -3.21 -0.30 0.00 -3.05 0.00 0.00 64.05 57.48 2rpp n THR 33 Cb 0.22 0.24 -0.15 0.00 -1.55 0.00 0.00 70.33 69.10 2rpp n THR 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rpp n SER 35 N 4.21 7.00 -4.71 0.00 3.41 -1.26 -4.86 113.62 117.41 2rpp n SER 35 Ca 0.03 -3.58 -0.24 0.00 -0.26 0.00 0.00 58.87 54.82 2rpp n SER 35 Cb 0.40 -0.98 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 2rpp n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2rpp s ARG 36 N -3.26 2.56 0.90 4.33 0.52 -1.26 -5.12 118.95 117.62 2rpp s ARG 36 Ca 0.55 -1.16 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 2rpp s ARG 36 Cb 0.44 -2.38 0.18 0.00 0.52 0.00 0.00 34.95 33.70 2rpp s ARG 36 CO 0.00 0.42 1.24 0.45 0.02 0.00 0.00 175.30 177.43 2rpp s SER 37 N -3.42 3.46 0.27 0.23 0.15 -1.26 -4.80 113.70 108.33 2rpp s SER 37 Ca 0.30 0.15 0.07 0.00 0.70 0.00 0.00 55.95 57.17 2rpp s SER 37 Cb -0.08 -0.29 0.35 0.00 -1.71 0.00 0.00 66.02 64.29 2rpp s SER 37 CO 0.21 -2.49 1.62 -0.78 1.20 0.00 0.00 173.24 173.00 2rpp h ASP 38 N -1.36 0.17 -0.06 5.45 1.82 -1.93 -1.55 116.42 118.97 2rpp h ASP 38 Ca -0.43 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 2rpp h ASP 38 Cb 1.25 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2rpp h ASP 38 CO 0.40 0.69 0.00 -0.62 -1.61 0.00 0.00 179.24 178.10 2rpp n GLU 39 N -3.90 2.01 -0.13 0.28 1.02 -1.26 -4.28 120.64 114.39 2rpp n GLU 39 Ca -0.02 -1.48 -0.25 0.00 -0.02 0.00 0.00 57.16 55.39 2rpp n GLU 39 Cb 0.58 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 2rpp n GLU 39 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2rpp n GLU 40 N 0.78 0.56 -2.71 3.49 2.13 -1.07 -4.97 120.64 118.85 2rpp n GLU 40 Ca 0.17 0.22 -0.39 0.00 0.66 0.00 0.00 57.16 57.81 2rpp n GLU 40 Cb 0.48 -1.43 -0.06 0.00 0.27 0.00 0.00 31.44 30.69 2rpp n GLU 40 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rpp n LYS 42 N 1.28 1.41 -4.20 0.00 4.01 -1.26 -4.83 118.16 114.56 2rpp n LYS 42 Ca -0.01 -0.66 -0.12 0.00 -0.51 0.00 0.00 58.31 57.01 2rpp n LYS 42 Cb 0.47 -1.35 -0.10 0.00 -0.51 0.00 0.00 35.03 33.54 2rpp n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2rpp s PHE 43 N -0.87 1.12 -0.13 2.13 0.40 -1.26 -5.07 117.98 114.30 2rpp s PHE 43 Ca 0.12 -1.33 -0.07 0.00 -0.60 0.00 0.00 56.93 55.05 2rpp s PHE 43 Cb 0.10 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 2rpp s PHE 43 CO 0.03 -0.58 0.14 0.00 0.70 0.00 0.00 175.22 175.50 2rpp s ALA 44 N -4.10 3.86 -0.47 5.36 0.00 -1.26 -4.91 121.76 120.25 2rpp s ALA 44 Ca 0.35 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.71 2rpp s ALA 44 Cb 0.07 -1.98 0.12 0.00 0.00 0.00 0.00 23.12 21.33 2rpp s ALA 44 CO 0.10 0.58 0.20 -1.01 0.00 0.00 0.00 175.76 175.63 2rpp s HIS 45 N -0.91 3.35 0.21 0.00 0.09 -1.26 -2.78 115.29 113.99 2rpp s HIS 45 Ca 0.14 -3.12 -0.30 0.00 -0.00 0.00 0.00 55.06 51.78 2rpp s HIS 45 Cb -0.12 -2.86 -0.09 0.00 -0.00 0.00 0.00 32.58 29.52 2rpp s HIS 45 CO 0.03 -0.80 1.30 -1.25 -0.00 0.00 0.00 174.74 174.02 2rpp s PRO 46 N 0.04 4.40 1.24 8.40 0.04 -1.26 -4.97 135.00 142.88 2rpp s PRO 46 Ca 0.15 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.03 2rpp s PRO 46 Cb -0.24 -3.19 0.30 0.00 0.04 0.00 0.00 34.50 31.41 2rpp s PRO 46 CO -0.02 -0.23 1.11 -1.25 0.04 0.00 0.00 177.00 176.65 2rpp s PRO 47 N -0.24 -1.50 0.06 0.56 0.04 -1.26 -4.92 135.00 127.74 2rpp s PRO 47 Ca 0.56 -0.16 -0.19 0.00 0.04 0.00 0.00 61.00 61.24 2rpp s PRO 47 Cb -0.36 -1.57 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 2rpp s PRO 47 CO 0.39 -3.88 1.43 0.87 0.04 0.00 0.00 177.00 175.85 2rpp h LYS 48 N -2.70 0.41 -0.08 4.56 6.56 -2.00 -2.88 116.57 120.44 2rpp h LYS 48 Ca -0.43 -0.17 0.02 0.00 -1.06 0.00 0.00 60.65 59.01 2rpp h LYS 48 Cb 1.29 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2rpp h LYS 48 CO 0.30 0.69 0.07 0.66 -2.06 0.00 0.00 179.45 179.11 2rpp h SER 49 N 0.11 0.00 -3.51 0.86 4.64 -1.93 -3.39 113.55 110.32 2rpp h SER 49 Ca 0.05 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.76 2rpp h SER 49 Cb 0.56 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.54 2rpp h SER 49 CO 0.03 0.00 0.05 0.00 -0.87 0.00 0.00 176.83 176.04 2rpp s GLN 51 N 2.21 3.54 -0.15 0.00 0.74 -1.18 -4.55 119.66 120.27 2rpp s GLN 51 Ca 0.24 2.38 0.01 0.00 0.05 0.00 0.00 55.36 58.05 2rpp s GLN 51 Cb -0.16 -2.56 0.01 0.00 1.10 0.00 0.00 33.01 31.41 2rpp s GLN 51 CO 0.09 -0.92 -0.19 0.08 -0.55 0.00 0.00 175.29 173.80 2rpp s VAL 52 N -1.22 2.29 0.74 1.34 1.01 -1.26 -4.64 120.40 118.65 2rpp s VAL 52 Ca 0.64 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 2rpp s VAL 52 Cb -0.43 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.06 2rpp s VAL 52 CO 0.54 0.53 1.09 -1.61 0.00 0.00 0.00 175.10 175.66 2rpp s GLU 53 N 0.92 2.26 -0.37 2.72 2.02 0.15 -4.93 118.70 121.48 2rpp s GLU 53 Ca -0.04 0.05 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 2rpp s GLU 53 Cb -0.15 -2.06 -0.08 0.00 0.10 0.00 0.00 34.13 31.94 2rpp s GLU 53 CO -0.03 -1.32 2.29 0.09 0.02 0.00 0.00 175.26 176.31 2rpp n ASN 54 N -3.08 2.51 -1.76 -0.19 4.13 -1.26 -1.49 115.26 114.12 2rpp n ASN 54 Ca 0.08 0.08 -0.15 0.00 1.68 0.00 0.00 54.58 56.27 2rpp n ASN 54 Cb 0.60 -1.44 -0.04 0.00 -1.54 0.00 0.00 39.78 37.36 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rpp n GLY 55 N 6.11 0.75 3.64 7.41 0.00 -1.26 -4.89 105.19 116.95 2rpp n GLY 55 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 2rpp n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rpp s ARG 56 N -3.84 1.56 -0.21 1.61 3.52 -0.56 -3.51 118.95 117.52 2rpp s ARG 56 Ca 0.00 -1.05 -0.18 0.00 -0.13 0.00 0.00 55.73 54.38 2rpp s ARG 56 Cb 0.00 0.53 0.06 0.00 -1.56 0.00 0.00 34.95 33.97 2rpp s ARG 56 CO 0.00 -0.67 0.55 0.54 -0.81 0.00 0.00 175.30 174.90 2rpp s VAL 57 N -3.94 -0.00 -0.01 7.11 0.11 -0.71 0.31 120.40 123.27 2rpp s VAL 57 Ca 0.15 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.94 2rpp s VAL 57 Cb -0.02 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 2rpp s VAL 57 CO 0.04 0.00 0.83 -0.63 -3.33 0.00 0.00 175.10 172.02 2rpp s ILE 58 N 0.56 4.88 0.35 7.04 1.01 -1.26 -1.67 121.20 132.11 2rpp s ILE 58 Ca -0.02 1.74 -0.16 0.00 0.00 0.00 0.00 60.65 62.21 2rpp s ILE 58 Cb -0.04 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 2rpp s ILE 58 CO -0.03 0.25 0.78 0.00 0.00 0.00 0.00 174.94 175.94 2rpp s ALA 59 N 0.63 3.27 0.42 9.38 0.00 -0.43 -2.61 121.76 132.43 2rpp s ALA 59 Ca 0.43 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 2rpp s ALA 59 Cb -0.20 -2.83 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 2rpp s ALA 59 CO 0.23 0.27 1.06 0.00 0.00 0.00 0.00 175.76 177.32 2rpp h PHE 61 N 2.25 0.34 0.01 0.00 3.57 -1.95 -3.34 116.94 117.81 2rpp h PHE 61 Ca -0.49 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 60.77 2rpp h PHE 61 Cb 1.22 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2rpp h PHE 61 CO 0.57 1.26 -0.00 -0.44 -2.23 0.00 0.00 178.31 177.47 2rpp h ASP 62 N -0.58 -0.01 -0.99 0.41 5.19 -1.94 -2.80 116.42 115.70 2rpp h ASP 62 Ca -0.13 -0.07 0.34 0.00 -0.62 0.00 0.00 57.03 56.54 2rpp h ASP 62 Cb 1.45 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.78 2rpp h ASP 62 CO 0.07 0.07 0.31 0.77 -3.12 0.00 0.00 179.24 177.34 2rpp h SER 63 N -0.08 -0.02 -0.92 6.45 4.64 -1.82 0.69 113.55 122.49 2rpp h SER 63 Ca -0.00 0.26 0.26 0.00 -0.47 0.00 0.00 61.79 61.84 2rpp h SER 63 Cb 0.08 0.35 -0.14 0.00 -0.31 0.00 0.00 62.40 62.38 2rpp h SER 63 CO 0.00 -0.37 0.35 -0.07 -0.87 0.00 0.00 176.83 175.87 2rpp h LEU 64 N 0.03 0.19 -0.96 5.97 3.38 -1.62 0.82 115.31 123.12 2rpp h LEU 64 Ca 0.72 0.19 -0.11 0.00 0.09 0.00 0.00 57.88 58.78 2rpp h LEU 64 Cb 1.73 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 2rpp h LEU 64 CO -0.82 -0.13 -0.43 0.11 0.09 0.00 0.00 178.44 177.27 2rpp h LYS 65 N 0.27 0.20 0.00 1.13 1.79 0.26 -3.47 116.57 116.75 2rpp h LYS 65 Ca 0.60 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 2rpp h LYS 65 Cb 1.26 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2rpp h LYS 65 CO -0.63 0.59 0.00 0.41 -1.08 0.00 0.00 179.45 178.75 2rpp n GLY 66 N -0.17 1.40 2.79 3.86 0.00 0.28 -5.06 105.19 108.29 2rpp n GLY 66 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2rpp n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rpp s ARG 67 N -0.30 0.91 0.06 1.61 3.00 -1.26 -4.98 118.95 118.00 2rpp s ARG 67 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 55.73 54.88 2rpp s ARG 67 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 34.95 32.71 2rpp s ARG 67 CO 0.00 -0.78 0.20 0.00 0.00 0.00 0.00 175.30 174.72 2rpp n SER 69 N 0.30 0.78 -3.16 0.00 2.88 -1.26 -5.00 113.62 108.16 2rpp n SER 69 Ca -0.05 0.13 -0.45 0.00 -1.33 0.00 0.00 58.87 57.17 2rpp n SER 69 Cb 0.51 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 63.57 2rpp n SER 69 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rpp n ARG 70 N -3.49 0.00 -0.11 -1.46 1.74 -1.26 -4.80 116.66 107.28 2rpp n ARG 70 Ca -0.19 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.77 2rpp n ARG 70 Cb 0.60 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.93 2rpp n ARG 70 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 2rpp h GLU 71 N 5.72 0.68 -0.85 5.56 4.11 -2.06 -3.00 114.58 124.73 2rpp h GLU 71 Ca -0.14 -0.29 -0.31 0.00 0.07 0.00 0.00 59.36 58.69 2rpp h GLU 71 Cb 1.01 -0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.06 2rpp h GLU 71 CO 0.76 0.88 0.40 0.09 0.07 0.00 0.00 179.01 181.22 2rpp n ASN 72 N -4.37 4.39 -3.60 3.06 4.13 -1.26 -4.99 115.26 112.62 2rpp n ASN 72 Ca -0.03 -3.29 -0.50 0.00 1.68 0.00 0.00 54.58 52.44 2rpp n ASN 72 Cb 0.38 -0.77 -0.10 0.00 -1.54 0.00 0.00 39.78 37.75 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rpp n LYS 74 N 6.37 2.17 -4.75 0.00 2.85 -1.26 -4.38 118.16 119.16 2rpp n LYS 74 Ca 0.47 -1.08 -0.25 0.00 -1.05 0.00 0.00 58.31 56.41 2rpp n LYS 74 Cb -0.03 -1.70 -0.16 0.00 -0.65 0.00 0.00 35.03 32.49 2rpp n LYS 74 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2rpp s TYR 75 N -1.52 1.53 0.54 5.58 2.02 -1.26 -3.09 117.35 121.15 2rpp s TYR 75 Ca 0.19 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.31 2rpp s TYR 75 Cb 0.15 -1.03 -0.06 0.00 -0.40 0.00 0.00 41.96 40.61 2rpp s TYR 75 CO 0.05 -0.12 1.04 -1.17 -1.57 0.00 0.00 175.55 173.77 2rpp s LEU 76 N -0.02 3.66 -0.54 -1.29 2.96 -1.07 -4.41 118.68 117.96 2rpp s LEU 76 Ca -0.02 1.82 -0.12 0.00 -0.22 0.00 0.00 54.13 55.59 2rpp s LEU 76 Cb -0.10 -4.54 0.13 0.00 0.50 0.00 0.00 46.19 42.19 2rpp s LEU 76 CO 0.01 -0.91 0.44 -1.00 -1.32 0.00 0.00 176.35 173.57 2rpp s HIS 77 N -2.30 3.40 0.51 5.38 3.76 -1.26 -0.32 115.29 124.47 2rpp s HIS 77 Ca 0.64 -1.74 -0.21 0.00 -0.15 0.00 0.00 55.06 53.60 2rpp s HIS 77 Cb -0.15 -3.62 -0.06 0.00 1.11 0.00 0.00 32.58 29.86 2rpp s HIS 77 CO 0.29 -1.00 1.14 -1.25 -0.85 0.00 0.00 174.74 173.08 2rpp s PRO 78 N 1.25 3.52 1.06 8.40 0.04 -1.26 -5.01 135.00 143.00 2rpp s PRO 78 Ca 0.07 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.65 2rpp s PRO 78 Cb -0.26 -2.17 0.22 0.00 0.04 0.00 0.00 34.50 32.33 2rpp s PRO 78 CO -0.00 -0.73 1.10 -1.25 0.04 0.00 0.00 177.00 176.16 2rpp s PRO 79 N -3.04 -0.09 0.04 0.56 0.04 -1.26 -4.70 135.00 126.55 2rpp s PRO 79 Ca 0.69 0.34 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 2rpp s PRO 79 Cb -0.26 -1.69 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 2rpp s PRO 79 CO 0.30 -3.04 1.34 1.15 0.04 0.00 0.00 177.00 176.79 2rpp h THR 80 N -2.11 0.00 -1.81 1.26 2.02 -1.96 0.43 112.91 110.74 2rpp h THR 80 Ca -0.53 -0.03 0.52 0.00 0.77 0.00 0.00 66.41 67.15 2rpp h THR 80 Cb 1.32 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 2rpp h THR 80 CO 0.52 0.00 1.32 1.12 0.37 0.00 0.00 175.52 178.85 2rpp h HIS 81 N -0.95 0.00 0.14 3.16 2.07 -1.99 0.91 115.15 118.50 2rpp h HIS 81 Ca -0.09 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.07 2rpp h HIS 81 Cb 0.70 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.68 2rpp h HIS 81 CO 0.07 0.00 -1.92 -0.07 -3.07 0.00 0.00 177.93 172.94 2rpp h LEU 82 N 0.00 0.47 -1.08 6.12 3.38 -1.82 -3.36 115.31 119.02 2rpp h LEU 82 Ca 0.86 -0.93 0.43 0.00 0.09 0.00 0.00 57.88 58.33 2rpp h LEU 82 Cb 3.50 -0.15 -0.17 0.00 0.09 0.00 0.00 40.66 43.92 2rpp h LEU 82 CO -0.01 1.82 0.61 0.11 0.09 0.00 0.00 178.44 181.06 2rpp h LYS 83 N 0.08 0.01 0.07 1.13 1.57 0.55 0.52 116.57 120.50 2rpp h LYS 83 Ca -0.40 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.39 2rpp h LYS 83 Cb 2.05 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.35 2rpp h LYS 83 CO 0.12 0.01 -0.10 1.15 -0.57 0.00 0.00 179.45 180.05 2rpp h THR 84 N 0.01 0.77 -1.33 -0.16 2.02 -1.68 -2.12 112.91 110.43 2rpp h THR 84 Ca 0.85 0.00 0.43 0.00 0.77 0.00 0.00 66.41 68.46 2rpp h THR 84 Cb 2.35 0.77 -0.12 0.00 -1.74 0.00 0.00 68.15 69.41 2rpp h THR 84 CO -0.71 0.00 0.87 1.56 0.37 0.00 0.00 175.52 177.61 2rpp h GLN 85 N -0.20 0.10 0.78 6.66 4.20 -0.15 0.28 115.11 126.77 2rpp h GLN 85 Ca 0.02 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2rpp h GLN 85 Cb 0.21 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.98 2rpp h GLN 85 CO -0.05 0.06 -0.37 -0.07 -0.67 0.00 0.00 178.83 177.73 2rpp h LEU 86 N 0.10 -0.89 -1.58 1.46 3.38 -1.36 -3.03 115.31 113.39 2rpp h LEU 86 Ca 0.80 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.82 2rpp h LEU 86 Cb 2.55 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 43.51 2rpp h LEU 86 CO -0.38 -0.52 0.30 1.05 0.09 0.00 0.00 178.44 178.99 2rpp h GLU 87 N -1.28 0.55 -0.94 1.13 4.11 -0.87 -1.93 114.58 115.36 2rpp h GLU 87 Ca -0.11 -0.03 0.16 0.00 0.07 0.00 0.00 59.36 59.45 2rpp h GLU 87 Cb 0.80 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 2rpp h GLU 87 CO 0.18 0.37 0.60 0.82 0.07 0.00 0.00 179.01 181.04 2rpp h ILE 88 N 0.57 0.80 -2.30 -1.06 2.04 -0.51 -2.50 117.51 114.54 2rpp h ILE 88 Ca 0.17 -0.25 -0.80 0.00 1.00 0.00 0.00 64.86 64.99 2rpp h ILE 88 Cb -0.00 0.02 -0.28 0.00 -0.74 0.00 0.00 36.82 35.81 2rpp h ILE 88 CO -0.04 0.13 0.91 0.59 0.00 0.00 0.00 178.15 179.74 2rpp n ASN 89 N -4.61 7.11 -4.94 1.72 4.13 -0.72 -5.00 115.26 112.95 2rpp n ASN 89 Ca 0.19 -3.67 -0.20 0.00 1.68 0.00 0.00 54.58 52.59 2rpp n ASN 89 Cb 0.51 -1.14 -0.02 0.00 -1.54 0.00 0.00 39.78 37.59 2rpp n ASN 89 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2rpp s SER 90 N -1.51 5.67 0.00 6.41 1.04 -0.95 -4.45 113.70 119.91 2rpp s SER 90 Ca 0.39 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2rpp s SER 90 Cb 0.18 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.24 2rpp s SER 90 CO -0.11 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2rpp n GLY 91 N -1.56 3.49 0.00 7.32 0.00 -1.26 -4.93 105.19 108.25 2rpp n GLY 91 Ca 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.16 2rpp n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rpp n PRO 92 N 0.00 0.39 -1.50 1.61 -0.04 -1.26 -4.86 135.00 129.34 2rpp n PRO 92 Ca 0.00 0.05 -0.46 0.00 -0.04 0.00 0.00 63.50 63.05 2rpp n PRO 92 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2rpp n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2rpp n SER 93 N -1.10 0.07 -3.64 3.54 7.64 -1.26 -4.98 113.62 113.89 2rpp n SER 93 Ca 0.10 1.16 -0.08 0.00 1.01 0.00 0.00 58.87 61.06 2rpp n SER 93 Cb 0.08 -1.12 -0.07 0.00 -1.01 0.00 0.00 64.21 62.08 2rpp n SER 93 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2rpp s SER 94 N -0.75 -0.90 0.00 6.43 0.01 -1.26 -5.05 113.70 112.18 2rpp s SER 94 Ca 0.62 1.47 0.00 0.00 1.31 0.00 0.00 55.95 59.34 2rpp s SER 94 Cb -0.82 1.39 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2rpp s SER 94 CO 0.58 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.60