#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 5.05 -0.19 1.61 0.15 -1.26 -5.03 113.70 114.03 2rpp s SER 8 Ca 0.00 -3.71 -0.09 0.00 0.70 0.00 0.00 55.95 52.84 2rpp s SER 8 Cb 0.00 -1.70 0.07 0.00 -1.71 0.00 0.00 66.02 62.67 2rpp s SER 8 CO 0.00 -0.13 0.44 -0.94 1.20 0.00 0.00 173.24 173.81 2rpp s SER 9 N -0.99 -0.50 0.00 5.45 1.04 -1.26 -5.14 113.70 112.30 2rpp s SER 9 Ca 0.24 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2rpp s SER 9 Cb -0.08 0.97 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2rpp s SER 9 CO -0.14 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2rpp n GLY 10 N 4.54 4.33 2.99 7.32 0.00 -1.26 -5.12 105.19 117.98 2rpp n GLY 10 Ca -0.20 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 1.00 4.21 -0.03 1.61 0.15 -1.26 -5.10 113.70 114.28 2rpp s SER 11 Ca 0.00 -1.42 0.02 0.00 0.70 0.00 0.00 55.95 55.24 2rpp s SER 11 Cb 0.00 -1.36 0.01 0.00 -1.71 0.00 0.00 66.02 62.96 2rpp s SER 11 CO 0.00 -0.25 -0.06 -0.55 1.20 0.00 0.00 173.24 173.58 2rpp s SER 12 N 1.23 0.98 0.00 5.45 0.15 -1.26 -5.00 113.70 115.25 2rpp s SER 12 Ca -0.04 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2rpp s SER 12 Cb -0.19 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 2rpp s SER 12 CO -0.07 0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2rpp n GLY 13 N 3.58 -0.04 3.55 9.45 0.00 -1.26 -5.07 105.19 115.40 2rpp n GLY 13 Ca -0.21 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2rpp n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rpp s PRO 14 N 0.00 2.64 -0.02 1.61 0.04 -1.26 -4.95 135.00 133.05 2rpp s PRO 14 Ca 0.00 0.63 0.01 0.00 0.04 0.00 0.00 61.00 61.67 2rpp s PRO 14 Cb 0.00 -4.39 0.02 0.00 0.04 0.00 0.00 34.50 30.17 2rpp s PRO 14 CO 0.00 -2.72 -0.02 0.08 0.04 0.00 0.00 177.00 174.38 2rpp s VAL 15 N 9.06 0.27 0.01 -0.36 1.01 -1.26 -5.15 120.40 123.99 2rpp s VAL 15 Ca 0.67 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 2rpp s VAL 15 Cb -0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 2rpp s VAL 15 CO 0.21 0.13 0.38 0.00 0.00 0.00 0.00 175.10 175.82 2rpp s ARG 16 N 0.60 3.81 -0.28 2.72 1.70 -1.26 -5.08 118.95 121.17 2rpp s ARG 16 Ca -0.06 0.27 -0.06 0.00 -0.47 0.00 0.00 55.73 55.41 2rpp s ARG 16 Cb -0.09 -3.14 0.14 0.00 -0.57 0.00 0.00 34.95 31.28 2rpp s ARG 16 CO -0.01 0.66 0.57 0.16 -1.08 0.00 0.00 175.30 175.60 2rpp s ASP 17 N -1.31 -0.95 -1.40 -2.89 -4.77 -1.26 -4.93 116.67 99.16 2rpp s ASP 17 Ca 0.26 1.18 -0.09 0.00 -3.30 0.00 0.00 52.55 50.59 2rpp s ASP 17 Cb -0.15 2.01 0.03 0.00 -1.09 0.00 0.00 42.92 43.72 2rpp s ASP 17 CO 0.14 -0.24 1.07 0.41 0.70 0.00 0.00 175.17 177.25 2rpp n THR 18 N 5.43 -3.08 0.01 2.11 -1.04 -1.26 -4.91 114.28 111.54 2rpp n THR 18 Ca -0.08 -0.08 -0.21 0.00 -2.04 0.00 0.00 64.05 61.64 2rpp n THR 18 Cb 0.50 -3.71 -0.14 0.00 -1.82 0.00 0.00 70.33 65.16 2rpp n THR 18 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2rpp h LYS 19 N -2.38 0.23 -1.01 -2.82 1.63 -1.99 -3.34 116.57 106.89 2rpp h LYS 19 Ca -0.58 -0.40 0.23 0.00 -0.85 0.00 0.00 60.65 59.06 2rpp h LYS 19 Cb 1.37 0.15 -0.11 0.00 -0.60 0.00 0.00 32.23 33.04 2rpp h LYS 19 CO 0.59 1.19 0.62 0.11 -3.45 0.00 0.00 179.45 178.51 2rpp h TRP 20 N -0.37 0.92 -0.62 1.91 5.08 -2.01 -3.32 115.95 117.53 2rpp h TRP 20 Ca -0.28 0.03 -0.27 0.00 1.08 0.00 0.00 58.89 59.45 2rpp h TRP 20 Cb 1.70 -0.27 -0.04 0.00 -3.00 0.00 0.00 29.16 27.55 2rpp h TRP 20 CO 0.14 0.11 0.74 -0.51 -1.28 0.00 0.00 178.44 177.64 2rpp s LEU 21 N -10.10 3.10 0.03 0.11 1.43 -1.26 -4.89 118.68 107.11 2rpp s LEU 21 Ca -0.10 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2rpp s LEU 21 Cb 0.26 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 2rpp s LEU 21 CO 0.80 -2.94 -0.04 0.42 0.23 0.00 0.00 176.35 174.81 2rpp s THR 22 N 10.77 0.24 -0.14 5.49 -4.23 -1.25 -2.08 115.64 124.43 2rpp s THR 22 Ca 0.72 -1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 59.97 2rpp s THR 22 Cb -0.06 -0.54 0.04 0.00 1.34 0.00 0.00 72.50 73.29 2rpp s THR 22 CO 0.03 -0.55 0.45 -0.76 -0.54 0.00 0.00 174.62 173.25 2rpp s LEU 23 N -1.72 0.29 0.06 4.79 1.43 0.70 -4.83 118.68 119.41 2rpp s LEU 23 Ca -0.11 0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 53.47 2rpp s LEU 23 Cb -0.07 1.57 -0.08 0.00 0.03 0.00 0.00 46.19 47.64 2rpp s LEU 23 CO -0.02 -0.22 1.57 -1.83 0.23 0.00 0.00 176.35 176.08 2rpp s GLU 24 N -0.06 4.23 -0.03 1.70 -1.05 -1.26 -1.70 118.70 120.53 2rpp s GLU 24 Ca -0.02 2.22 -0.29 0.00 -0.15 0.00 0.00 54.97 56.73 2rpp s GLU 24 Cb -0.03 -3.56 -0.03 0.00 -0.44 0.00 0.00 34.13 30.07 2rpp s GLU 24 CO 0.02 -0.67 0.93 0.08 0.95 0.00 0.00 175.26 176.57 2rpp s VAL 25 N 2.45 4.89 -0.05 1.83 1.01 -1.26 -3.80 120.40 125.47 2rpp s VAL 25 Ca 0.70 1.95 -0.34 0.00 0.00 0.00 0.00 61.98 64.29 2rpp s VAL 25 Cb -0.37 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.62 2rpp s VAL 25 CO 0.30 0.15 1.83 0.00 0.00 0.00 0.00 175.10 177.39 2rpp h ARG 27 N 8.67 -0.83 -0.80 0.00 2.43 -1.95 -2.66 114.38 119.24 2rpp h ARG 27 Ca -0.48 0.06 0.19 0.00 -0.81 0.00 0.00 59.98 58.94 2rpp h ARG 27 Cb 1.27 0.19 -0.12 0.00 -0.42 0.00 0.00 29.97 30.89 2rpp h ARG 27 CO 0.94 -0.56 0.22 1.96 -1.51 0.00 0.00 179.97 181.02 2rpp h GLN 28 N -0.87 0.26 -0.53 0.20 4.20 -1.90 -0.46 115.11 116.01 2rpp h GLN 28 Ca -0.06 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.74 2rpp h GLN 28 Cb 0.73 -0.06 -0.11 0.00 0.30 0.00 0.00 27.48 28.34 2rpp h GLN 28 CO 0.00 0.17 -0.21 0.35 -0.67 0.00 0.00 178.83 178.48 2rpp h PHE 29 N 0.27 -0.50 -0.07 2.96 3.57 -1.79 0.97 116.94 122.34 2rpp h PHE 29 Ca 0.47 0.06 0.03 0.00 3.53 0.00 0.00 57.97 62.06 2rpp h PHE 29 Cb 0.87 0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 2rpp h PHE 29 CO -0.25 -0.30 -0.48 1.96 -2.23 0.00 0.00 178.31 177.01 2rpp h GLN 30 N -0.08 -0.56 0.00 1.11 1.08 -0.77 0.13 115.11 116.03 2rpp h GLN 30 Ca 0.25 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.46 2rpp h GLN 30 Cb 0.47 0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2rpp h GLN 30 CO -0.59 -0.37 -0.11 0.00 -0.95 0.00 0.00 178.83 176.81 2rpp h ARG 31 N -0.58 0.00 -0.00 1.46 3.08 -1.27 -3.46 114.38 113.61 2rpp h ARG 31 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2rpp h ARG 31 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2rpp h ARG 31 CO -0.38 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.04 2rpp n GLY 32 N -0.30 1.34 1.33 0.04 0.00 0.31 -5.00 105.19 102.91 2rpp n GLY 32 Ca -0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 2rpp n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rpp n THR 33 N -2.20 2.45 -3.60 2.61 -2.24 0.43 -4.96 114.28 106.78 2rpp n THR 33 Ca 0.00 -3.56 -0.40 0.00 -2.27 0.00 0.00 64.05 57.82 2rpp n THR 33 Cb 0.20 -0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 67.68 2rpp n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rpp n SER 35 N 4.87 2.88 -4.41 0.00 2.88 -1.26 -4.81 113.62 113.77 2rpp n SER 35 Ca -0.08 -2.41 -0.34 0.00 -1.33 0.00 0.00 58.87 54.71 2rpp n SER 35 Cb 0.41 -0.59 -0.13 0.00 -0.75 0.00 0.00 64.21 63.16 2rpp n SER 35 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rpp s ARG 36 N -1.44 3.51 0.82 -1.46 1.81 -1.26 -5.06 118.95 115.87 2rpp s ARG 36 Ca 0.19 -0.59 -0.13 0.00 -1.72 0.00 0.00 55.73 53.48 2rpp s ARG 36 Cb 0.15 -2.89 0.21 0.00 -0.45 0.00 0.00 34.95 31.97 2rpp s ARG 36 CO 0.05 0.09 0.46 0.43 -0.68 0.00 0.00 175.30 175.65 2rpp n SER 37 N 3.95 -3.11 0.04 0.23 7.64 -1.26 -4.51 113.62 116.59 2rpp n SER 37 Ca -0.18 -0.47 -0.11 0.00 1.01 0.00 0.00 58.87 59.12 2rpp n SER 37 Cb 0.52 -0.56 -0.13 0.00 -1.01 0.00 0.00 64.21 63.03 2rpp n SER 37 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rpp h ASP 38 N -2.85 0.15 0.57 6.43 3.32 -1.92 -1.67 116.42 120.45 2rpp h ASP 38 Ca -0.21 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2rpp h ASP 38 Cb 0.71 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2rpp h ASP 38 CO 0.13 1.18 -0.41 1.21 -1.72 0.00 0.00 179.24 179.62 2rpp n GLU 39 N -3.31 0.03 -0.09 3.56 2.13 -1.26 -4.33 120.64 117.37 2rpp n GLU 39 Ca -0.11 -0.02 -0.15 0.00 0.66 0.00 0.00 57.16 57.55 2rpp n GLU 39 Cb 1.01 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 31.17 2rpp n GLU 39 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2rpp n GLU 40 N -1.47 0.48 -1.69 5.31 -0.58 -1.24 -4.99 120.64 116.46 2rpp n GLU 40 Ca 0.06 0.20 -0.43 0.00 -0.42 0.00 0.00 57.16 56.57 2rpp n GLU 40 Cb 0.34 -1.32 -0.01 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 0.76 1.32 -4.13 0.00 2.85 -1.26 -4.83 118.16 112.87 2rpp n LYS 42 Ca 0.06 -0.64 -0.09 0.00 -1.05 0.00 0.00 58.31 56.58 2rpp n LYS 42 Cb 0.35 -1.29 -0.10 0.00 -0.65 0.00 0.00 35.03 33.34 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 -0.77 0.75 -0.15 5.58 0.40 -1.26 -5.06 117.98 117.47 2rpp s PHE 43 Ca 0.12 -1.13 -0.09 0.00 -0.60 0.00 0.00 56.93 55.23 2rpp s PHE 43 Cb 0.10 -0.46 -0.05 0.00 0.51 0.00 0.00 43.02 43.12 2rpp s PHE 43 CO 0.02 -0.42 0.16 0.00 0.70 0.00 0.00 175.22 175.69 2rpp s ALA 44 N -3.94 3.77 -0.51 5.36 0.00 -1.25 -4.90 121.76 120.29 2rpp s ALA 44 Ca 0.16 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.53 2rpp s ALA 44 Cb 0.07 -2.10 0.13 0.00 0.00 0.00 0.00 23.12 21.22 2rpp s ALA 44 CO -0.03 0.39 0.27 -1.01 0.00 0.00 0.00 175.76 175.38 2rpp s HIS 45 N -0.38 3.32 0.39 0.00 0.09 -1.26 -3.14 115.29 114.31 2rpp s HIS 45 Ca 0.13 -3.04 -0.26 0.00 -0.00 0.00 0.00 55.06 51.89 2rpp s HIS 45 Cb -0.12 -2.92 -0.09 0.00 -0.00 0.00 0.00 32.58 29.45 2rpp s HIS 45 CO 0.02 -0.80 1.19 -1.25 -0.00 0.00 0.00 174.74 173.91 2rpp s PRO 46 N -0.05 4.09 1.23 8.40 0.04 -1.26 -5.00 135.00 142.45 2rpp s PRO 46 Ca 0.16 1.91 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 2rpp s PRO 46 Cb -0.24 -2.74 0.30 0.00 0.04 0.00 0.00 34.50 31.86 2rpp s PRO 46 CO -0.02 -0.31 1.11 -1.25 0.04 0.00 0.00 177.00 176.58 2rpp s PRO 47 N -2.21 -1.43 0.28 0.56 0.04 -1.26 -4.89 135.00 126.09 2rpp s PRO 47 Ca 0.56 -0.14 0.04 0.00 0.04 0.00 0.00 61.00 61.50 2rpp s PRO 47 Cb -0.32 -1.58 0.41 0.00 0.04 0.00 0.00 34.50 33.04 2rpp s PRO 47 CO 0.41 -3.83 1.69 -0.22 0.04 0.00 0.00 177.00 175.08 2rpp h LYS 48 N -2.67 0.34 0.00 4.56 3.64 -2.02 -2.33 116.57 118.10 2rpp h LYS 48 Ca -0.43 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2rpp h LYS 48 Cb 1.29 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2rpp h LYS 48 CO 0.31 0.68 0.00 0.43 -2.27 0.00 0.00 179.45 178.59 2rpp n SER 49 N -4.05 0.00 -4.88 4.20 7.64 -1.26 -4.77 113.62 110.50 2rpp n SER 49 Ca -0.01 -1.53 -0.36 0.00 1.01 0.00 0.00 58.87 57.98 2rpp n SER 49 Cb 0.47 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 2rpp n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rpp s GLN 51 N -1.32 3.42 -0.10 0.00 -0.44 -1.09 -4.89 119.66 115.24 2rpp s GLN 51 Ca 0.19 -0.07 -0.22 0.00 -2.50 0.00 0.00 55.36 52.75 2rpp s GLN 51 Cb -0.12 -3.96 -0.03 0.00 -1.64 0.00 0.00 33.01 27.25 2rpp s GLN 51 CO 0.09 -1.22 0.66 0.08 0.50 0.00 0.00 175.29 175.40 2rpp s VAL 52 N 3.54 5.05 0.61 1.34 1.01 -1.26 -4.14 120.40 126.54 2rpp s VAL 52 Ca 0.32 1.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 2rpp s VAL 52 Cb -0.12 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.31 2rpp s VAL 52 CO 0.23 0.23 0.87 -1.61 0.00 0.00 0.00 175.10 174.82 2rpp s GLU 53 N 1.03 2.47 -0.45 2.72 2.02 0.51 -4.95 118.70 122.06 2rpp s GLU 53 Ca 0.34 -0.50 -0.32 0.00 0.02 0.00 0.00 54.97 54.51 2rpp s GLU 53 Cb -0.17 -2.35 -0.11 0.00 0.10 0.00 0.00 34.13 31.59 2rpp s GLU 53 CO 0.15 -0.89 2.30 -1.71 0.02 0.00 0.00 175.26 175.14 2rpp n ASN 54 N -2.57 2.00 -1.63 -0.19 2.85 -1.26 -0.74 115.26 113.73 2rpp n ASN 54 Ca 0.07 0.19 -0.15 0.00 -0.11 0.00 0.00 54.58 54.59 2rpp n ASN 54 Cb 0.60 -1.30 -0.05 0.00 1.24 0.00 0.00 39.78 40.27 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rpp n GLY 55 N 6.40 1.02 3.76 8.20 0.00 -1.26 -4.88 105.19 118.43 2rpp n GLY 55 Ca 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.60 1.77 -0.03 1.61 3.52 0.08 -4.49 118.95 117.81 2rpp s ARG 56 Ca 0.00 -1.14 -0.03 0.00 -0.13 0.00 0.00 55.73 54.43 2rpp s ARG 56 Cb 0.00 0.56 0.01 0.00 -1.56 0.00 0.00 34.95 33.96 2rpp s ARG 56 CO 0.00 -0.79 0.09 0.54 -0.81 0.00 0.00 175.30 174.33 2rpp s VAL 57 N -3.76 0.01 -0.10 7.11 0.11 -0.69 0.19 120.40 123.27 2rpp s VAL 57 Ca 0.16 -0.07 -0.21 0.00 -2.93 0.00 0.00 61.98 58.92 2rpp s VAL 57 Cb -0.04 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2rpp s VAL 57 CO 0.08 -0.04 0.60 -0.63 -3.33 0.00 0.00 175.10 171.78 2rpp s ILE 58 N -0.09 5.10 0.59 7.04 1.01 -1.26 -0.21 121.20 133.38 2rpp s ILE 58 Ca -0.01 1.21 -0.08 0.00 0.00 0.00 0.00 60.65 61.77 2rpp s ILE 58 Cb -0.01 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2rpp s ILE 58 CO 0.00 0.26 0.93 0.00 0.00 0.00 0.00 174.94 176.14 2rpp s ALA 59 N 0.87 3.21 0.43 9.38 0.00 -0.88 -3.48 121.76 131.29 2rpp s ALA 59 Ca 0.32 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 2rpp s ALA 59 Cb -0.16 -2.78 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 2rpp s ALA 59 CO 0.14 -0.72 0.82 0.00 0.00 0.00 0.00 175.76 175.99 2rpp h PHE 61 N 1.09 0.00 -0.38 0.00 3.04 -1.95 -3.37 116.94 115.37 2rpp h PHE 61 Ca -0.47 0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.53 2rpp h PHE 61 Cb 1.19 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.66 2rpp h PHE 61 CO 0.61 0.50 0.12 -0.44 -2.02 0.00 0.00 178.31 177.08 2rpp h ASP 62 N -1.00 0.12 -1.20 0.41 3.32 -1.96 -1.77 116.42 114.34 2rpp h ASP 62 Ca -0.11 0.04 0.40 0.00 0.02 0.00 0.00 57.03 57.38 2rpp h ASP 62 Cb 0.73 0.04 -0.13 0.00 0.22 0.00 0.00 39.33 40.18 2rpp h ASP 62 CO -0.07 0.10 0.75 0.77 -1.72 0.00 0.00 179.24 179.08 2rpp h SER 63 N 0.27 0.32 -0.92 6.45 4.64 -1.81 0.78 113.55 123.28 2rpp h SER 63 Ca 0.17 0.16 0.14 0.00 -0.47 0.00 0.00 61.79 61.79 2rpp h SER 63 Cb 0.16 0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 62.29 2rpp h SER 63 CO -0.18 -0.18 0.54 -0.07 -0.87 0.00 0.00 176.83 176.06 2rpp h LEU 64 N 0.15 0.73 -1.22 5.97 3.38 -1.48 0.15 115.31 122.98 2rpp h LEU 64 Ca 0.79 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.75 2rpp h LEU 64 Cb 2.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.95 2rpp h LEU 64 CO -0.48 0.35 -0.36 0.11 0.09 0.00 0.00 178.44 178.15 2rpp h LYS 65 N 0.80 0.00 0.00 1.13 1.79 0.45 -3.47 116.57 117.28 2rpp h LYS 65 Ca 0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 2rpp h LYS 65 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2rpp h LYS 65 CO -0.31 0.36 0.00 0.41 -1.08 0.00 0.00 179.45 178.83 2rpp n GLY 66 N -0.24 1.55 2.80 3.86 0.00 0.51 -5.06 105.19 108.62 2rpp n GLY 66 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.39 0.98 -0.00 1.61 1.81 -1.26 -4.98 118.95 116.72 2rpp s ARG 67 Ca 0.00 -0.76 -0.03 0.00 -1.72 0.00 0.00 55.73 53.22 2rpp s ARG 67 Cb 0.00 -2.26 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 2rpp s ARG 67 CO 0.00 -0.70 0.19 0.00 -0.68 0.00 0.00 175.30 174.10 2rpp n SER 69 N 0.91 1.55 -2.95 0.00 7.64 -1.26 -4.98 113.62 114.53 2rpp n SER 69 Ca -0.10 0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.61 2rpp n SER 69 Cb 0.52 -0.59 -0.07 0.00 -1.01 0.00 0.00 64.21 63.06 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 -4.04 0.00 0.00 1.43 5.12 -1.26 -4.84 116.66 113.07 2rpp n ARG 70 Ca -0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 2rpp n ARG 70 Cb 0.49 -1.00 0.00 0.00 -1.16 0.00 0.00 32.46 30.79 2rpp n ARG 70 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2rpp n GLU 71 N 4.09 0.00 -0.53 5.56 1.02 -1.26 -2.86 120.64 126.66 2rpp n GLU 71 Ca 0.30 0.47 -0.05 0.00 -0.02 0.00 0.00 57.16 57.86 2rpp n GLU 71 Cb -0.03 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 29.96 2rpp n GLU 71 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2rpp n ASN 72 N -1.88 5.10 -4.42 1.62 6.94 -1.26 -4.93 115.26 116.43 2rpp n ASN 72 Ca 0.00 -2.54 -0.56 0.00 -0.02 0.00 0.00 54.58 51.45 2rpp n ASN 72 Cb 0.00 -0.97 -0.09 0.00 -2.36 0.00 0.00 39.78 36.36 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rpp n LYS 74 N 7.30 1.35 -4.53 0.00 2.85 -1.26 -4.73 118.16 119.14 2rpp n LYS 74 Ca 0.44 -0.79 -0.23 0.00 -1.05 0.00 0.00 58.31 56.68 2rpp n LYS 74 Cb 0.09 -1.31 -0.16 0.00 -0.65 0.00 0.00 35.03 33.00 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 -0.88 1.29 0.43 5.58 1.51 -1.26 -2.68 117.35 121.34 2rpp s TYR 75 Ca 0.15 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.57 2rpp s TYR 75 Cb 0.12 -0.94 -0.09 0.00 -0.11 0.00 0.00 41.96 40.94 2rpp s TYR 75 CO 0.02 -0.21 1.04 -1.17 -1.11 0.00 0.00 175.55 174.12 2rpp s LEU 76 N 0.48 4.03 -0.58 -1.29 2.96 -1.23 -4.53 118.68 118.53 2rpp s LEU 76 Ca -0.10 1.97 -0.11 0.00 -0.22 0.00 0.00 54.13 55.67 2rpp s LEU 76 Cb -0.13 -4.33 0.15 0.00 0.50 0.00 0.00 46.19 42.37 2rpp s LEU 76 CO 0.02 -0.57 0.48 -1.00 -1.32 0.00 0.00 176.35 173.97 2rpp s HIS 77 N -1.80 3.45 0.59 5.38 3.76 -1.26 -1.04 115.29 124.37 2rpp s HIS 77 Ca 0.61 -1.84 -0.18 0.00 -0.15 0.00 0.00 55.06 53.50 2rpp s HIS 77 Cb -0.19 -3.61 -0.03 0.00 1.11 0.00 0.00 32.58 29.85 2rpp s HIS 77 CO 0.24 -0.98 1.12 -1.25 -0.85 0.00 0.00 174.74 173.02 2rpp s PRO 78 N 1.02 3.12 1.06 8.40 0.04 -1.26 -5.04 135.00 142.34 2rpp s PRO 78 Ca 0.09 1.52 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 2rpp s PRO 78 Cb -0.23 -1.98 0.22 0.00 0.04 0.00 0.00 34.50 32.55 2rpp s PRO 78 CO -0.02 -1.02 1.10 -1.25 0.04 0.00 0.00 177.00 175.85 2rpp s PRO 79 N -3.63 -0.10 0.17 0.56 0.04 -1.26 -4.69 135.00 126.10 2rpp s PRO 79 Ca 0.70 0.33 -0.09 0.00 0.04 0.00 0.00 61.00 61.98 2rpp s PRO 79 Cb -0.22 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.67 2rpp s PRO 79 CO 0.33 -3.04 1.61 1.15 0.04 0.00 0.00 177.00 177.09 2rpp h THR 80 N -2.11 1.27 0.00 1.26 2.02 -1.98 0.20 112.91 113.56 2rpp h THR 80 Ca -0.52 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 2rpp h THR 80 Cb 1.32 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2rpp h THR 80 CO 0.52 0.44 -0.01 1.12 0.37 0.00 0.00 175.52 177.96 2rpp h HIS 81 N 0.95 0.00 0.00 3.16 2.07 -1.98 -3.08 115.15 116.27 2rpp h HIS 81 Ca 0.15 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.29 2rpp h HIS 81 Cb 0.64 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.57 2rpp h HIS 81 CO 0.04 0.01 -2.11 1.28 -3.07 0.00 0.00 177.93 174.09 2rpp n LEU 82 N -3.15 2.00 -0.22 6.12 4.77 -0.94 -4.27 117.00 121.32 2rpp n LEU 82 Ca -0.02 0.34 0.30 0.00 -0.03 0.00 0.00 56.01 56.61 2rpp n LEU 82 Cb 0.17 -0.88 0.58 0.00 -2.33 0.00 0.00 43.42 40.95 2rpp n LEU 82 CO 0.24 0.50 1.28 0.11 -1.33 0.00 0.00 177.39 178.19 2rpp h LYS 83 N -0.92 0.00 -0.70 3.23 1.57 -0.53 0.79 116.57 120.01 2rpp h LYS 83 Ca -0.57 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.18 2rpp h LYS 83 Cb 1.54 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.82 2rpp h LYS 83 CO -0.32 0.00 0.32 1.15 -0.57 0.00 0.00 179.45 180.03 2rpp h THR 84 N 0.00 1.23 -0.24 -0.16 2.02 -1.72 -1.95 112.91 112.10 2rpp h THR 84 Ca 0.49 -0.68 0.07 0.00 0.77 0.00 0.00 66.41 67.06 2rpp h THR 84 Cb 2.59 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 2rpp h THR 84 CO -0.01 0.28 0.36 1.56 0.37 0.00 0.00 175.52 178.08 2rpp h GLN 85 N 0.98 0.00 0.18 6.66 4.20 0.37 -0.10 115.11 127.40 2rpp h GLN 85 Ca 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 2rpp h GLN 85 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2rpp h GLN 85 CO -0.03 0.00 -0.09 -0.07 -0.67 0.00 0.00 178.83 177.97 2rpp h LEU 86 N 0.00 -0.21 -1.46 1.46 3.38 -1.45 -3.29 115.31 113.74 2rpp h LEU 86 Ca 0.11 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2rpp h LEU 86 Cb 0.83 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2rpp h LEU 86 CO -0.00 0.30 0.42 1.05 0.09 0.00 0.00 178.44 180.30 2rpp h GLU 87 N -1.04 0.66 -0.88 1.13 4.11 -1.37 -2.00 114.58 115.19 2rpp h GLU 87 Ca -0.03 -0.04 0.18 0.00 0.07 0.00 0.00 59.36 59.55 2rpp h GLU 87 Cb 0.30 -0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.29 2rpp h GLU 87 CO 0.04 0.43 0.44 0.82 0.07 0.00 0.00 179.01 180.81 2rpp h ILE 88 N 0.68 0.63 -1.17 -1.06 2.04 -1.14 -3.43 117.51 114.06 2rpp h ILE 88 Ca 0.27 -0.19 -0.61 0.00 1.00 0.00 0.00 64.86 65.33 2rpp h ILE 88 Cb 0.20 0.03 0.12 0.00 -0.74 0.00 0.00 36.82 36.43 2rpp h ILE 88 CO -0.08 0.10 -0.64 -0.46 0.00 0.00 0.00 178.15 177.07 2rpp n ASN 89 N -4.93 -1.72 -4.66 1.72 2.04 -0.75 -4.97 115.26 101.99 2rpp n ASN 89 Ca 0.20 0.95 -0.23 0.00 -0.44 0.00 0.00 54.58 55.05 2rpp n ASN 89 Cb 0.54 -0.87 -0.07 0.00 -2.53 0.00 0.00 39.78 36.85 2rpp n ASN 89 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2rpp s SER 90 N -0.94 4.46 0.86 0.53 1.04 -1.26 -5.09 113.70 113.30 2rpp s SER 90 Ca 0.58 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 56.09 2rpp s SER 90 Cb -0.77 -0.71 0.11 0.00 0.10 0.00 0.00 66.02 64.75 2rpp s SER 90 CO 0.55 -0.16 1.17 -0.83 0.98 0.00 0.00 173.24 174.95 2rpp s GLY 91 N -3.74 1.60 -0.68 7.32 0.00 -1.26 -4.94 107.32 105.62 2rpp s GLY 91 Ca 0.34 -0.65 -0.26 0.00 0.00 0.00 0.00 44.72 44.15 2rpp s GLY 91 CO 0.20 -0.11 1.88 2.56 0.00 0.00 0.00 173.10 177.64 2rpp s PRO 92 N -5.50 2.61 -1.59 2.90 0.04 -1.26 -3.60 135.00 128.60 2rpp s PRO 92 Ca 0.64 0.42 -0.13 0.00 0.04 0.00 0.00 61.00 61.96 2rpp s PRO 92 Cb -0.12 -4.54 0.10 0.00 0.04 0.00 0.00 34.50 29.99 2rpp s PRO 92 CO 0.51 -2.88 0.78 0.45 0.04 0.00 0.00 177.00 175.89 2rpp n SER 93 N 13.05 -3.12 -4.59 6.66 2.88 -1.26 -4.79 113.62 122.44 2rpp n SER 93 Ca 0.25 -0.94 -0.43 0.00 -1.33 0.00 0.00 58.87 56.42 2rpp n SER 93 Cb 0.51 -3.19 -0.03 0.00 -0.75 0.00 0.00 64.21 60.75 2rpp n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2rpp n SER 94 N -2.78 3.23 0.00 -3.46 2.88 -1.24 -5.30 113.62 106.95 2rpp n SER 94 Ca -0.02 0.23 0.01 0.00 -1.33 0.00 0.00 58.87 57.76 2rpp n SER 94 Cb 0.54 -1.54 0.04 0.00 -0.75 0.00 0.00 64.21 62.51 2rpp n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42