#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpp h SER 8 N 0.00 0.44 -6.19 1.61 4.64 -2.07 -3.48 113.55 108.49 2rpp h SER 8 Ca 0.00 -0.93 -0.44 0.00 -0.47 0.00 0.00 61.79 59.95 2rpp h SER 8 Cb 0.00 -0.14 0.03 0.00 -0.31 0.00 0.00 62.40 61.97 2rpp h SER 8 CO 0.00 1.44 -0.84 -1.20 -0.87 0.00 0.00 176.83 175.36 2rpp n SER 9 N -4.09 -1.10 -0.76 4.97 7.64 -1.26 -4.56 113.62 114.46 2rpp n SER 9 Ca -0.17 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.85 2rpp n SER 9 Cb 0.83 -3.81 0.00 0.00 -1.01 0.00 0.00 64.21 60.22 2rpp n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rpp n GLY 10 N -1.67 -3.96 3.47 0.23 0.00 -1.26 -4.78 105.19 97.22 2rpp n GLY 10 Ca -0.29 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 2rpp n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rpp s SER 11 N -1.77 6.74 -0.24 1.61 0.15 -1.26 -4.91 113.70 114.02 2rpp s SER 11 Ca 0.00 -2.26 -0.07 0.00 0.70 0.00 0.00 55.95 54.32 2rpp s SER 11 Cb 0.00 -2.43 0.11 0.00 -1.71 0.00 0.00 66.02 62.00 2rpp s SER 11 CO 0.00 -1.03 0.50 -0.55 1.20 0.00 0.00 173.24 173.36 2rpp s SER 12 N 3.59 -0.55 -0.48 5.45 0.15 -1.26 -5.10 113.70 115.50 2rpp s SER 12 Ca 0.38 1.07 0.06 0.00 0.70 0.00 0.00 55.95 58.16 2rpp s SER 12 Cb -0.03 1.67 0.19 0.00 -1.71 0.00 0.00 66.02 66.14 2rpp s SER 12 CO -0.06 -0.24 0.61 0.61 1.20 0.00 0.00 173.24 175.36 2rpp n GLY 13 N 5.41 0.51 0.06 9.45 0.00 -1.26 -4.97 105.19 114.39 2rpp n GLY 13 Ca -0.08 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 2.70 0.10 -4.07 1.61 -0.04 -1.26 -4.65 135.00 129.38 2rpp n PRO 14 Ca 0.21 0.34 -0.17 0.00 -0.04 0.00 0.00 63.50 63.84 2rpp n PRO 14 Cb 0.54 -1.68 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 2rpp n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2rpp s VAL 15 N -3.16 0.34 0.00 0.52 -7.23 -1.26 -5.02 120.40 104.59 2rpp s VAL 15 Ca 0.05 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 2rpp s VAL 15 Cb 0.09 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.68 2rpp s VAL 15 CO 0.32 0.15 0.00 -2.11 -0.31 0.00 0.00 175.10 173.15 2rpp n ARG 16 N 3.60 0.00 -2.02 4.82 1.85 -1.26 -5.04 116.66 118.61 2rpp n ARG 16 Ca -0.21 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.23 2rpp n ARG 16 Cb 0.54 -0.82 -0.03 0.00 -1.05 0.00 0.00 32.46 31.10 2rpp n ARG 16 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2rpp s ASP 17 N -3.95 6.67 -0.62 2.89 1.11 -1.26 -4.89 116.67 116.62 2rpp s ASP 17 Ca 0.00 2.54 -0.07 0.00 0.18 0.00 0.00 52.55 55.20 2rpp s ASP 17 Cb 0.00 -2.60 -0.16 0.00 1.07 0.00 0.00 42.92 41.23 2rpp s ASP 17 CO 0.00 -0.75 3.27 0.35 1.18 0.00 0.00 175.17 179.22 2rpp n THR 18 N 3.68 3.57 0.12 -1.27 -2.24 -1.26 -4.45 114.28 112.44 2rpp n THR 18 Ca 0.12 -2.14 -0.02 0.00 -2.27 0.00 0.00 64.05 59.73 2rpp n THR 18 Cb 0.40 -2.16 0.10 0.00 -2.10 0.00 0.00 70.33 66.57 2rpp n THR 18 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2rpp h LYS 19 N 3.71 0.00 0.00 -0.78 5.09 -2.00 -3.22 116.57 119.38 2rpp h LYS 19 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.19 2rpp h LYS 19 Cb 0.99 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.32 2rpp h LYS 19 CO 0.85 0.70 -1.76 -2.67 -2.09 0.00 0.00 179.45 174.48 2rpp n TRP 20 N -3.65 0.07 -0.92 0.07 4.27 -1.26 -4.32 117.44 111.70 2rpp n TRP 20 Ca -0.01 0.02 -0.22 0.00 -3.89 0.00 0.00 57.50 53.41 2rpp n TRP 20 Cb 0.70 -0.46 0.07 0.00 -1.36 0.00 0.00 31.31 30.26 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 -2.17 6.59 -4.53 5.67 4.77 -1.21 -4.79 117.00 121.32 2rpp n LEU 21 Ca -0.02 -3.48 -0.26 0.00 -0.03 0.00 0.00 56.01 52.22 2rpp n LEU 21 Cb 0.53 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 2rpp n LEU 21 CO 0.45 1.21 -0.44 0.42 -1.33 0.00 0.00 177.39 177.70 2rpp s THR 22 N -2.98 2.90 -0.02 -5.08 -4.23 -1.25 -0.11 115.64 104.87 2rpp s THR 22 Ca 0.42 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.90 2rpp s THR 22 Cb 0.34 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.73 2rpp s THR 22 CO 0.01 -0.20 0.24 -0.76 -0.54 0.00 0.00 174.62 173.37 2rpp s LEU 23 N -3.04 1.13 -0.06 4.79 1.43 -0.73 -4.87 118.68 117.33 2rpp s LEU 23 Ca 0.26 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.12 2rpp s LEU 23 Cb -0.08 0.99 -0.03 0.00 0.03 0.00 0.00 46.19 47.10 2rpp s LEU 23 CO 0.15 -0.36 1.23 -0.70 0.23 0.00 0.00 176.35 176.90 2rpp s GLU 24 N -1.09 4.33 0.21 1.70 2.56 -1.26 -2.41 118.70 122.73 2rpp s GLU 24 Ca -0.12 1.71 -0.30 0.00 0.00 0.00 0.00 54.97 56.26 2rpp s GLU 24 Cb -0.05 -3.58 -0.09 0.00 2.00 0.00 0.00 34.13 32.40 2rpp s GLU 24 CO 0.03 -0.49 1.26 0.08 -0.56 0.00 0.00 175.26 175.58 2rpp s VAL 25 N 2.39 3.31 -0.30 3.70 1.01 -1.26 -4.20 120.40 125.04 2rpp s VAL 25 Ca 0.57 1.11 -0.42 0.00 0.00 0.00 0.00 61.98 63.23 2rpp s VAL 25 Cb -0.25 -3.71 -0.17 0.00 0.00 0.00 0.00 36.38 32.25 2rpp s VAL 25 CO 0.22 0.18 1.63 0.00 0.00 0.00 0.00 175.10 177.13 2rpp h ARG 27 N 6.10 -0.48 -0.10 0.00 1.12 -1.93 -1.86 114.38 117.23 2rpp h ARG 27 Ca -0.46 0.03 0.04 0.00 -1.11 0.00 0.00 59.98 58.48 2rpp h ARG 27 Cb 1.34 0.11 -0.06 0.00 -0.01 0.00 0.00 29.97 31.35 2rpp h ARG 27 CO 0.94 -0.32 -0.38 1.96 -3.11 0.00 0.00 179.97 179.05 2rpp h GLN 28 N -0.50 -0.46 -0.99 0.20 4.20 -1.91 -2.31 115.11 113.33 2rpp h GLN 28 Ca 0.03 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.91 2rpp h GLN 28 Cb 0.58 0.10 -0.15 0.00 0.30 0.00 0.00 27.48 28.32 2rpp h GLN 28 CO -0.37 -0.31 -0.43 0.34 -0.67 0.00 0.00 178.83 177.39 2rpp n PHE 29 N -5.43 -0.07 -0.29 2.96 7.35 -0.97 0.55 117.46 121.56 2rpp n PHE 29 Ca -0.04 1.22 0.10 0.00 -0.76 0.00 0.00 57.45 57.97 2rpp n PHE 29 Cb 0.35 -0.81 0.23 0.00 0.35 0.00 0.00 39.48 39.61 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 0.13 -0.00 -4.13 1.08 -0.77 0.40 115.11 111.82 2rpp h GLN 30 Ca 0.30 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.31 2rpp h GLN 30 Cb 0.55 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2rpp h GLN 30 CO -0.97 0.09 -0.85 0.00 -0.95 0.00 0.00 178.83 176.15 2rpp h ARG 31 N 0.14 0.15 -0.00 1.46 3.08 0.19 -3.48 114.38 115.91 2rpp h ARG 31 Ca 0.50 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2rpp h ARG 31 Cb 0.96 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2rpp h ARG 31 CO -0.70 0.91 0.00 0.41 -1.07 0.00 0.00 179.97 179.52 2rpp n GLY 32 N 0.83 1.95 1.76 0.04 0.00 0.14 -5.02 105.19 104.89 2rpp n GLY 32 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.00 2.16 -4.05 2.61 5.66 -1.11 -4.99 114.28 113.57 2rpp n THR 33 Ca 0.00 -3.66 -0.32 0.00 -3.05 0.00 0.00 64.05 57.03 2rpp n THR 33 Cb 0.01 -0.50 -0.15 0.00 -1.55 0.00 0.00 70.33 68.13 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 4.46 4.97 -4.33 0.00 7.64 -1.26 -4.89 113.62 120.21 2rpp n SER 35 Ca -0.13 -3.65 -0.32 0.00 1.01 0.00 0.00 58.87 55.78 2rpp n SER 35 Cb 0.42 -0.88 -0.15 0.00 -1.01 0.00 0.00 64.21 62.59 2rpp n SER 35 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2rpp s ARG 36 N -3.43 2.71 1.29 1.43 0.52 -1.26 -5.09 118.95 115.12 2rpp s ARG 36 Ca 0.59 -0.82 -0.22 0.00 -0.52 0.00 0.00 55.73 54.76 2rpp s ARG 36 Cb 0.48 -2.30 0.32 0.00 0.52 0.00 0.00 34.95 33.97 2rpp s ARG 36 CO 0.07 0.40 1.08 -1.12 0.02 0.00 0.00 175.30 175.75 2rpp s SER 37 N -0.18 0.16 0.20 0.23 0.01 -1.26 -4.61 113.70 108.25 2rpp s SER 37 Ca -0.02 0.53 0.09 0.00 1.31 0.00 0.00 55.95 57.87 2rpp s SER 37 Cb -0.14 -0.69 0.06 0.00 0.21 0.00 0.00 66.02 65.47 2rpp s SER 37 CO 0.03 -4.58 1.44 0.44 0.41 0.00 0.00 173.24 170.98 2rpp h ASP 38 N -2.89 0.00 1.41 2.44 5.19 -1.87 0.45 116.42 121.14 2rpp h ASP 38 Ca -0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2rpp h ASP 38 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2rpp h ASP 38 CO 0.27 0.80 -0.15 -0.33 -3.12 0.00 0.00 179.24 176.70 2rpp h GLU 39 N 0.00 0.00 0.00 3.56 5.08 -1.92 -3.37 114.58 117.93 2rpp h GLU 39 Ca -0.01 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 2rpp h GLU 39 Cb 1.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 2rpp h GLU 39 CO 0.10 0.00 -1.73 0.39 -1.00 0.00 0.00 179.01 176.77 2rpp n GLU 40 N -2.35 0.55 -2.04 2.33 -0.58 -1.17 -4.98 120.64 112.40 2rpp n GLU 40 Ca 0.05 0.23 -0.39 0.00 -0.42 0.00 0.00 57.16 56.63 2rpp n GLU 40 Cb 0.45 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 2rpp n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rpp n LYS 42 N -0.07 1.37 -4.20 0.00 2.85 -1.26 -4.79 118.16 112.06 2rpp n LYS 42 Ca 0.05 -0.63 -0.12 0.00 -1.05 0.00 0.00 58.31 56.56 2rpp n LYS 42 Cb 0.44 -1.33 -0.10 0.00 -0.65 0.00 0.00 35.03 33.39 2rpp n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2rpp s PHE 43 N -0.82 1.17 -0.18 5.58 0.08 -1.26 -5.00 117.98 117.55 2rpp s PHE 43 Ca 0.12 -1.38 -0.09 0.00 0.12 0.00 0.00 56.93 55.69 2rpp s PHE 43 Cb 0.10 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.94 2rpp s PHE 43 CO 0.02 -0.64 0.13 0.00 -0.10 0.00 0.00 175.22 174.64 2rpp s ALA 44 N -4.15 3.74 -0.51 5.36 0.00 -1.26 -4.81 121.76 120.12 2rpp s ALA 44 Ca 0.39 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2rpp s ALA 44 Cb 0.07 -2.11 0.13 0.00 0.00 0.00 0.00 23.12 21.21 2rpp s ALA 44 CO 0.12 0.29 0.27 -1.01 0.00 0.00 0.00 175.76 175.43 2rpp s HIS 45 N -0.02 3.36 -0.12 0.00 0.09 -1.26 -2.14 115.29 115.20 2rpp s HIS 45 Ca 0.10 -2.98 -0.29 0.00 -0.00 0.00 0.00 55.06 51.88 2rpp s HIS 45 Cb -0.11 -2.96 -0.04 0.00 -0.00 0.00 0.00 32.58 29.47 2rpp s HIS 45 CO -0.00 -0.82 1.54 -1.25 -0.00 0.00 0.00 174.74 174.21 2rpp s PRO 46 N 0.06 4.11 0.92 8.40 0.04 -1.26 -5.01 135.00 142.26 2rpp s PRO 46 Ca 0.15 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 2rpp s PRO 46 Cb -0.23 -3.94 0.14 0.00 0.04 0.00 0.00 34.50 30.51 2rpp s PRO 46 CO -0.02 -0.91 1.09 -1.25 0.04 0.00 0.00 177.00 175.95 2rpp s PRO 47 N 4.04 1.09 0.41 0.56 0.04 -1.26 -4.85 135.00 135.02 2rpp s PRO 47 Ca 0.68 0.76 0.14 0.00 0.04 0.00 0.00 61.00 62.62 2rpp s PRO 47 Cb -0.28 -1.79 1.00 0.00 0.04 0.00 0.00 34.50 33.46 2rpp s PRO 47 CO 0.25 -2.34 1.91 1.57 0.04 0.00 0.00 177.00 178.43 2rpp h LYS 48 N -1.62 0.46 0.00 4.56 5.09 -2.03 0.20 116.57 123.24 2rpp h LYS 48 Ca -0.50 -0.03 -0.04 0.00 0.09 0.00 0.00 60.65 60.17 2rpp h LYS 48 Cb 1.29 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 33.51 2rpp h LYS 48 CO 0.55 0.31 -0.20 0.66 -2.09 0.00 0.00 179.45 178.68 2rpp h SER 49 N 0.48 0.00 -3.15 7.07 4.64 -1.96 -3.42 113.55 117.21 2rpp h SER 49 Ca 0.39 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.12 2rpp h SER 49 Cb 0.82 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.86 2rpp h SER 49 CO -0.14 0.20 -0.10 0.00 -0.87 0.00 0.00 176.83 175.93 2rpp s GLN 51 N -1.10 4.29 -0.18 0.00 -0.44 -1.14 -4.67 119.66 116.42 2rpp s GLN 51 Ca 0.27 1.51 -0.10 0.00 -2.50 0.00 0.00 55.36 54.54 2rpp s GLN 51 Cb -0.18 -3.65 -0.05 0.00 -1.64 0.00 0.00 33.01 27.48 2rpp s GLN 51 CO 0.17 -0.58 0.14 0.08 0.50 0.00 0.00 175.29 175.60 2rpp s VAL 52 N 2.97 5.42 0.61 1.34 1.01 -1.26 -4.41 120.40 126.08 2rpp s VAL 52 Ca 0.50 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 2rpp s VAL 52 Cb -0.19 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.76 2rpp s VAL 52 CO 0.13 0.47 0.89 -0.70 0.00 0.00 0.00 175.10 175.88 2rpp s GLU 53 N 0.14 2.50 -0.36 2.72 -6.30 0.63 -4.96 118.70 113.09 2rpp s GLU 53 Ca 0.10 -0.41 -0.32 0.00 -2.50 0.00 0.00 54.97 51.83 2rpp s GLU 53 Cb -0.11 -2.33 -0.09 0.00 0.00 0.00 0.00 34.13 31.60 2rpp s GLU 53 CO -0.01 -0.89 2.25 -1.71 0.02 0.00 0.00 175.26 174.92 2rpp n ASN 54 N -2.60 2.40 -1.10 -1.70 5.15 -1.26 -1.10 115.26 115.05 2rpp n ASN 54 Ca 0.07 0.23 -0.11 0.00 -0.60 0.00 0.00 54.58 54.16 2rpp n ASN 54 Cb 0.59 -1.37 -0.05 0.00 -0.53 0.00 0.00 39.78 38.42 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rpp n GLY 55 N 6.26 1.09 3.56 8.20 0.00 -1.26 -4.87 105.19 118.18 2rpp n GLY 55 Ca 0.39 0.00 -0.10 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 -2.84 1.43 -0.01 1.61 3.52 -0.26 -4.40 118.95 118.01 2rpp s ARG 56 Ca 0.00 -0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 54.77 2rpp s ARG 56 Cb 0.00 0.55 0.01 0.00 -1.56 0.00 0.00 34.95 33.95 2rpp s ARG 56 CO 0.00 -0.62 0.03 0.54 -0.81 0.00 0.00 175.30 174.44 2rpp s VAL 57 N -3.86 -0.02 -0.09 7.11 0.11 -1.01 0.23 120.40 122.87 2rpp s VAL 57 Ca 0.08 0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.94 2rpp s VAL 57 Cb -0.02 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 2rpp s VAL 57 CO -0.03 0.03 0.83 -0.63 -3.33 0.00 0.00 175.10 171.97 2rpp s ILE 58 N 0.36 4.94 0.52 7.04 1.01 -1.26 -1.77 121.20 132.03 2rpp s ILE 58 Ca -0.03 1.69 -0.15 0.00 0.00 0.00 0.00 60.65 62.15 2rpp s ILE 58 Cb -0.04 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 2rpp s ILE 58 CO -0.01 0.14 0.97 0.00 0.00 0.00 0.00 174.94 176.04 2rpp s ALA 59 N 1.35 3.09 0.55 9.38 0.00 0.85 -2.59 121.76 134.39 2rpp s ALA 59 Ca 0.42 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 2rpp s ALA 59 Cb -0.18 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 2rpp s ALA 59 CO 0.19 -0.26 0.96 0.00 0.00 0.00 0.00 175.76 176.64 2rpp h PHE 61 N 0.20 0.00 -0.30 0.00 3.04 -1.97 -3.36 116.94 114.55 2rpp h PHE 61 Ca -0.45 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.55 2rpp h PHE 61 Cb 1.19 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.65 2rpp h PHE 61 CO 0.64 0.05 -0.05 -0.44 -2.02 0.00 0.00 178.31 176.48 2rpp h ASP 62 N -1.00 -0.23 -0.95 0.41 5.19 -1.96 -2.00 116.42 115.88 2rpp h ASP 62 Ca -0.01 0.08 0.30 0.00 -0.62 0.00 0.00 57.03 56.79 2rpp h ASP 62 Cb 0.23 0.17 -0.18 0.00 0.18 0.00 0.00 39.33 39.73 2rpp h ASP 62 CO -0.00 -0.08 0.17 -1.54 -3.12 0.00 0.00 179.24 174.67 2rpp n SER 63 N -5.23 0.02 -0.31 6.45 3.41 -1.26 0.11 113.62 116.82 2rpp n SER 63 Ca -0.00 1.61 0.15 0.00 -0.26 0.00 0.00 58.87 60.37 2rpp n SER 63 Cb 0.17 -0.64 0.32 0.00 -0.26 0.00 0.00 64.21 63.80 2rpp n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2rpp h LEU 64 N 0.00 0.05 -1.31 1.04 3.38 -1.50 1.07 115.31 118.05 2rpp h LEU 64 Ca 0.65 0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.75 2rpp h LEU 64 Cb 1.48 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2rpp h LEU 64 CO -0.85 -0.17 -0.33 0.11 0.09 0.00 0.00 178.44 177.29 2rpp h LYS 65 N 0.21 0.02 0.00 1.13 1.79 0.59 -3.47 116.57 116.85 2rpp h LYS 65 Ca 0.59 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 2rpp h LYS 65 Cb 1.23 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2rpp h LYS 65 CO -0.67 0.36 0.00 0.41 -1.08 0.00 0.00 179.45 178.47 2rpp n GLY 66 N -0.55 1.81 2.80 3.86 0.00 0.37 -5.06 105.19 108.42 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 -1.60 0.00 0.00 0.00 173.32 171.72 2rpp s ARG 67 N -0.30 0.98 -0.04 1.61 3.00 -1.26 -4.97 118.95 117.97 2rpp s ARG 67 Ca 0.00 -0.77 -0.04 0.00 -1.00 0.00 0.00 55.73 53.92 2rpp s ARG 67 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 34.95 32.65 2rpp s ARG 67 CO 0.00 -0.71 0.16 0.00 0.00 0.00 0.00 175.30 174.75 2rpp n SER 69 N 1.25 1.91 -3.24 0.00 7.64 -1.26 -4.96 113.62 114.96 2rpp n SER 69 Ca -0.14 0.40 -0.45 0.00 1.01 0.00 0.00 58.87 59.69 2rpp n SER 69 Cb 0.53 -0.82 -0.06 0.00 -1.01 0.00 0.00 64.21 62.85 2rpp n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rpp n ARG 70 N -4.42 0.00 0.12 1.43 1.74 -1.26 -4.87 116.66 109.40 2rpp n ARG 70 Ca -0.28 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.75 2rpp n ARG 70 Cb 0.61 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.98 2rpp n ARG 70 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2rpp h GLU 71 N 3.02 -0.31 -1.27 5.56 4.39 -2.06 -3.28 114.58 120.64 2rpp h GLU 71 Ca -0.32 0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.03 2rpp h GLU 71 Cb 0.96 0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 29.51 2rpp h GLU 71 CO 0.61 -0.21 0.47 0.09 -1.16 0.00 0.00 179.01 178.81 2rpp n ASN 72 N -3.34 5.58 -4.48 1.42 5.03 -1.26 -4.97 115.26 113.24 2rpp n ASN 72 Ca -0.04 -3.12 -0.60 0.00 0.87 0.00 0.00 54.58 51.69 2rpp n ASN 72 Cb 0.13 -0.92 -0.10 0.00 -1.02 0.00 0.00 39.78 37.87 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2rpp n LYS 74 N 6.44 1.31 -4.53 0.00 2.85 -1.26 -4.64 118.16 118.33 2rpp n LYS 74 Ca 0.42 -0.67 -0.22 0.00 -1.05 0.00 0.00 58.31 56.79 2rpp n LYS 74 Cb 0.03 -1.26 -0.14 0.00 -0.65 0.00 0.00 35.03 33.01 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 -0.76 1.29 0.34 5.58 1.51 -1.26 -2.89 117.35 121.15 2rpp s TYR 75 Ca 0.13 -0.29 -0.24 0.00 -1.01 0.00 0.00 57.07 55.66 2rpp s TYR 75 Cb 0.11 -0.80 -0.10 0.00 -0.11 0.00 0.00 41.96 41.06 2rpp s TYR 75 CO 0.01 0.01 0.92 -1.17 -1.11 0.00 0.00 175.55 174.21 2rpp s LEU 76 N -0.72 4.24 -0.45 -1.29 2.96 -1.07 -4.63 118.68 117.71 2rpp s LEU 76 Ca 0.04 1.75 -0.09 0.00 -0.22 0.00 0.00 54.13 55.61 2rpp s LEU 76 Cb -0.07 -4.11 0.11 0.00 0.50 0.00 0.00 46.19 42.62 2rpp s LEU 76 CO 0.00 -0.13 0.32 -1.00 -1.32 0.00 0.00 176.35 174.22 2rpp s HIS 77 N -1.75 3.41 0.44 5.38 3.76 -1.26 0.24 115.29 125.50 2rpp s HIS 77 Ca 0.53 -1.81 -0.24 0.00 -0.15 0.00 0.00 55.06 53.38 2rpp s HIS 77 Cb -0.16 -3.35 -0.08 0.00 1.11 0.00 0.00 32.58 30.11 2rpp s HIS 77 CO 0.21 -0.96 1.18 -1.25 -0.85 0.00 0.00 174.74 173.07 2rpp s PRO 78 N 1.37 3.87 1.08 8.40 0.04 -1.26 -5.00 135.00 143.50 2rpp s PRO 78 Ca 0.05 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 2rpp s PRO 78 Cb -0.25 -2.52 0.23 0.00 0.04 0.00 0.00 34.50 31.99 2rpp s PRO 78 CO -0.00 -0.47 1.10 -1.25 0.04 0.00 0.00 177.00 176.42 2rpp s PRO 79 N -2.53 -0.20 0.10 0.56 0.04 -1.26 -4.71 135.00 127.01 2rpp s PRO 79 Ca 0.61 0.30 -0.18 0.00 0.04 0.00 0.00 61.00 61.77 2rpp s PRO 79 Cb -0.30 -1.68 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2rpp s PRO 79 CO 0.37 -3.10 1.60 1.15 0.04 0.00 0.00 177.00 177.06 2rpp h THR 80 N -2.15 1.21 -0.33 1.26 2.02 -1.96 0.27 112.91 113.23 2rpp h THR 80 Ca -0.52 -0.70 0.08 0.00 0.77 0.00 0.00 66.41 66.04 2rpp h THR 80 Cb 1.32 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 2rpp h THR 80 CO 0.50 0.23 0.23 1.12 0.37 0.00 0.00 175.52 177.97 2rpp h HIS 81 N 0.30 0.09 0.16 3.16 2.07 -1.97 -2.30 115.15 116.64 2rpp h HIS 81 Ca 0.09 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.29 2rpp h HIS 81 Cb 0.28 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.23 2rpp h HIS 81 CO 0.01 0.04 -1.66 -0.07 -3.07 0.00 0.00 177.93 173.19 2rpp h LEU 82 N 0.08 0.51 -0.77 6.12 3.38 -1.83 -3.36 115.31 119.45 2rpp h LEU 82 Ca 0.15 -0.91 0.24 0.00 0.09 0.00 0.00 57.88 57.45 2rpp h LEU 82 Cb 0.50 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 2rpp h LEU 82 CO -0.01 1.74 0.12 0.29 0.09 0.00 0.00 178.44 180.66 2rpp n LYS 83 N -3.71 -0.06 -0.28 1.13 5.02 0.92 0.07 118.16 121.25 2rpp n LYS 83 Ca -0.26 1.12 -0.11 0.00 -2.02 0.00 0.00 58.31 57.05 2rpp n LYS 83 Cb 1.01 -1.84 -0.08 0.00 -0.02 0.00 0.00 35.03 34.10 2rpp n LYS 83 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2rpp h THR 84 N 0.00 0.01 -0.87 -0.18 2.02 -1.71 -0.06 112.91 112.14 2rpp h THR 84 Ca 0.51 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.84 2rpp h THR 84 Cb 1.16 0.01 -0.15 0.00 -1.74 0.00 0.00 68.15 67.43 2rpp h THR 84 CO -0.69 0.00 -0.36 1.56 0.37 0.00 0.00 175.52 176.41 2rpp h GLN 85 N -0.18 -0.05 -0.06 6.66 7.50 -0.62 0.31 115.11 128.67 2rpp h GLN 85 Ca 0.14 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.33 2rpp h GLN 85 Cb 0.52 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 28.00 2rpp h GLN 85 CO -0.78 -0.03 -0.40 -0.07 -1.50 0.00 0.00 178.83 176.04 2rpp h LEU 86 N -0.05 -1.24 -0.10 1.46 3.38 -1.08 -2.51 115.31 115.16 2rpp h LEU 86 Ca 0.32 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.49 2rpp h LEU 86 Cb 0.59 0.50 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 2rpp h LEU 86 CO -0.89 -0.43 -0.37 -0.33 0.09 0.00 0.00 178.44 176.51 2rpp h GLU 87 N -0.52 -0.44 -1.00 1.13 4.39 -0.43 -0.93 114.58 116.78 2rpp h GLU 87 Ca 0.06 0.03 0.39 0.00 0.34 0.00 0.00 59.36 60.18 2rpp h GLU 87 Cb 0.63 0.10 -0.18 0.00 -0.10 0.00 0.00 28.75 29.20 2rpp h GLU 87 CO -0.35 -0.29 0.48 0.82 -1.16 0.00 0.00 179.01 178.51 2rpp h ILE 88 N -0.46 0.05 -4.76 3.13 2.04 -0.65 -3.45 117.51 113.41 2rpp h ILE 88 Ca 0.08 -0.02 -0.28 0.00 1.00 0.00 0.00 64.86 65.64 2rpp h ILE 88 Cb 0.59 -0.00 0.12 0.00 -0.74 0.00 0.00 36.82 36.78 2rpp h ILE 88 CO -0.36 0.01 -0.56 -3.20 0.00 0.00 0.00 178.15 174.05 2rpp n ASN 89 N -5.26 -3.80 -3.43 1.72 2.85 -0.36 -5.02 115.26 101.97 2rpp n ASN 89 Ca 0.35 -0.44 -0.11 0.00 -0.11 0.00 0.00 54.58 54.27 2rpp n ASN 89 Cb 1.18 -4.02 -0.09 0.00 1.24 0.00 0.00 39.78 38.09 2rpp n ASN 89 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2rpp s SER 90 N -3.62 0.35 0.00 1.20 0.15 -1.26 -5.01 113.70 105.50 2rpp s SER 90 Ca 0.24 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2rpp s SER 90 Cb -0.11 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 2rpp s SER 90 CO 0.56 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2rpp n GLY 91 N 5.36 1.45 3.57 9.45 0.00 -1.26 -4.93 105.19 118.83 2rpp n GLY 91 Ca -0.05 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 2rpp n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rpp s PRO 92 N 2.40 2.52 -1.52 1.61 0.04 -1.26 -3.81 135.00 134.98 2rpp s PRO 92 Ca 0.00 -0.69 -0.12 0.00 0.04 0.00 0.00 61.00 60.23 2rpp s PRO 92 Cb 0.00 -5.14 0.08 0.00 0.04 0.00 0.00 34.50 29.48 2rpp s PRO 92 CO 0.00 -3.67 0.91 0.45 0.04 0.00 0.00 177.00 174.74 2rpp n SER 93 N 14.20 -4.07 -4.78 6.66 2.88 -1.26 -4.97 113.62 122.27 2rpp n SER 93 Ca 0.42 -0.82 -0.22 0.00 -1.33 0.00 0.00 58.87 56.92 2rpp n SER 93 Cb 0.47 -3.76 -0.05 0.00 -0.75 0.00 0.00 64.21 60.11 2rpp n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2rpp s SER 94 N -3.47 4.84 0.00 -3.46 1.04 -1.25 -5.25 113.70 106.16 2rpp s SER 94 Ca 0.57 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2rpp s SER 94 Cb -0.29 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.09 2rpp s SER 94 CO 0.84 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 175.29