#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpp n SER 8 N 0.00 7.17 -4.54 1.61 3.41 -1.26 -4.95 113.62 115.06 2rpp n SER 8 Ca 0.00 -3.79 -0.41 0.00 -0.26 0.00 0.00 58.87 54.41 2rpp n SER 8 Cb 0.00 -0.89 -0.09 0.00 -0.26 0.00 0.00 64.21 62.97 2rpp n SER 8 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2rpp s SER 9 N -2.01 6.21 0.01 4.04 0.01 -1.26 -4.91 113.70 115.79 2rpp s SER 9 Ca 0.60 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.58 2rpp s SER 9 Cb 0.48 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.48 2rpp s SER 9 CO -0.09 -0.39 -0.09 0.61 0.41 0.00 0.00 173.24 173.69 2rpp n GLY 10 N 4.94 -0.15 3.58 3.44 0.00 -1.26 -5.04 105.19 110.70 2rpp n GLY 10 Ca -0.08 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2rpp n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rpp n SER 11 N -3.65 1.10 -4.66 1.61 7.64 -1.26 -4.83 113.62 109.58 2rpp n SER 11 Ca -0.06 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.52 2rpp n SER 11 Cb 0.22 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.10 2rpp n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2rpp s SER 12 N -0.64 6.54 1.03 6.43 0.15 -1.26 -4.95 113.70 121.00 2rpp s SER 12 Ca 0.60 2.34 -0.24 0.00 0.70 0.00 0.00 55.95 59.35 2rpp s SER 12 Cb -0.65 -2.53 -0.11 0.00 -1.71 0.00 0.00 66.02 61.01 2rpp s SER 12 CO 0.59 -1.02 -1.04 0.61 1.20 0.00 0.00 173.24 173.58 2rpp n GLY 13 N 4.35 -3.02 0.26 9.45 0.00 -1.26 -4.88 105.19 110.09 2rpp n GLY 13 Ca 0.19 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2rpp n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpp h PRO 14 N -1.29 0.84 -1.26 1.61 0.13 -2.05 -3.47 132.00 126.53 2rpp h PRO 14 Ca -0.43 -0.44 0.15 0.00 -0.87 0.00 0.00 66.00 64.41 2rpp h PRO 14 Cb 1.38 0.02 -0.29 0.00 0.13 0.00 0.00 31.00 32.23 2rpp h PRO 14 CO 0.26 1.08 0.75 0.54 -0.23 0.00 0.00 178.00 180.40 2rpp s VAL 15 N -4.34 0.00 -0.63 1.56 0.11 -1.26 -5.11 120.40 110.72 2rpp s VAL 15 Ca -0.10 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.99 2rpp s VAL 15 Cb 0.11 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.12 2rpp s VAL 15 CO 0.87 0.00 0.41 -0.13 -3.33 0.00 0.00 175.10 172.91 2rpp s ARG 16 N -0.19 2.30 0.18 1.54 0.52 -1.26 -5.08 118.95 116.96 2rpp s ARG 16 Ca 0.06 -3.01 0.06 0.00 -0.52 0.00 0.00 55.73 52.31 2rpp s ARG 16 Cb -0.04 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 2rpp s ARG 16 CO -0.10 -1.21 0.12 -0.51 0.02 0.00 0.00 175.30 173.62 2rpp s ASP 17 N -0.83 5.39 -0.41 0.23 1.01 -1.26 -5.04 116.67 115.77 2rpp s ASP 17 Ca 0.21 -0.19 0.05 0.00 0.71 0.00 0.00 52.55 53.32 2rpp s ASP 17 Cb -0.14 -1.36 0.45 0.00 1.01 0.00 0.00 42.92 42.87 2rpp s ASP 17 CO -0.09 0.06 1.40 0.35 0.21 0.00 0.00 175.17 177.10 2rpp n THR 18 N -0.43 2.80 0.00 -1.27 -2.24 -1.26 -4.70 114.28 107.18 2rpp n THR 18 Ca -0.08 -4.00 -0.21 0.00 -2.27 0.00 0.00 64.05 57.49 2rpp n THR 18 Cb 0.55 -1.16 -0.14 0.00 -2.10 0.00 0.00 70.33 67.49 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 2.20 0.21 0.00 -0.78 3.64 -2.02 -3.35 116.57 116.48 2rpp h LYS 19 Ca 0.42 -0.37 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2rpp h LYS 19 Cb 1.27 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2rpp h LYS 19 CO 0.98 1.18 -0.42 0.11 -2.27 0.00 0.00 179.45 179.02 2rpp h TRP 20 N -0.44 0.00 -1.91 1.91 5.08 -2.02 -3.34 115.95 115.23 2rpp h TRP 20 Ca -0.25 0.00 -0.74 0.00 1.08 0.00 0.00 58.89 58.98 2rpp h TRP 20 Cb 1.63 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 27.62 2rpp h TRP 20 CO 0.15 0.42 1.58 1.28 -1.28 0.00 0.00 178.44 180.59 2rpp n LEU 21 N -3.93 5.66 -3.96 0.11 4.77 -1.26 -4.94 117.00 113.46 2rpp n LEU 21 Ca -0.01 -4.51 -0.11 0.00 -0.03 0.00 0.00 56.01 51.34 2rpp n LEU 21 Cb 0.46 -1.58 -0.12 0.00 -2.33 0.00 0.00 43.42 39.85 2rpp n LEU 21 CO 0.39 0.92 -0.37 0.42 -1.33 0.00 0.00 177.39 177.42 2rpp s THR 22 N 1.22 0.17 -0.04 -5.08 -4.23 -1.26 -2.69 115.64 103.74 2rpp s THR 22 Ca 0.42 -0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2rpp s THR 22 Cb 0.01 -0.25 0.02 0.00 1.34 0.00 0.00 72.50 73.63 2rpp s THR 22 CO 0.00 -0.26 0.11 -0.76 -0.54 0.00 0.00 174.62 173.17 2rpp s LEU 23 N -0.89 1.26 -0.18 4.79 1.43 -0.83 -4.91 118.68 119.36 2rpp s LEU 23 Ca -0.08 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 2rpp s LEU 23 Cb -0.06 0.30 -0.04 0.00 0.03 0.00 0.00 46.19 46.41 2rpp s LEU 23 CO -0.00 -0.08 1.81 -0.70 0.23 0.00 0.00 176.35 177.60 2rpp s GLU 24 N 0.54 3.71 0.22 1.70 2.56 -1.26 -3.16 118.70 123.01 2rpp s GLU 24 Ca -0.04 1.90 -0.30 0.00 0.00 0.00 0.00 54.97 56.52 2rpp s GLU 24 Cb -0.06 -4.13 -0.10 0.00 2.00 0.00 0.00 34.13 31.85 2rpp s GLU 24 CO -0.02 -1.42 1.41 0.08 -0.56 0.00 0.00 175.26 174.75 2rpp s VAL 25 N 5.75 2.84 0.25 3.70 1.01 -1.26 -3.73 120.40 128.96 2rpp s VAL 25 Ca 0.81 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 63.17 2rpp s VAL 25 Cb -0.30 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.51 2rpp s VAL 25 CO 0.33 0.10 1.39 0.00 0.00 0.00 0.00 175.10 176.92 2rpp h ARG 27 N 3.99 -0.79 -0.93 0.00 9.65 -1.93 -2.88 114.38 121.50 2rpp h ARG 27 Ca -0.45 0.05 0.23 0.00 -1.10 0.00 0.00 59.98 58.71 2rpp h ARG 27 Cb 1.28 0.18 -0.12 0.00 -1.39 0.00 0.00 29.97 29.91 2rpp h ARG 27 CO 0.74 -0.53 0.46 1.96 2.80 0.00 0.00 179.97 185.40 2rpp h GLN 28 N -1.14 0.45 -0.22 0.20 4.20 -1.91 -0.02 115.11 116.66 2rpp h GLN 28 Ca -0.08 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.65 2rpp h GLN 28 Cb 0.63 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2rpp h GLN 28 CO 0.14 0.30 -0.07 0.35 -0.67 0.00 0.00 178.83 178.88 2rpp h PHE 29 N 0.46 -0.14 -0.06 2.96 3.57 -1.86 0.46 116.94 122.34 2rpp h PHE 29 Ca 0.58 0.02 0.04 0.00 3.53 0.00 0.00 57.97 62.14 2rpp h PHE 29 Cb 1.10 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.89 2rpp h PHE 29 CO -0.09 -0.11 -0.32 1.96 -2.23 0.00 0.00 178.31 177.52 2rpp h GLN 30 N -0.02 -0.42 -0.00 1.11 1.08 -0.77 -1.05 115.11 115.05 2rpp h GLN 30 Ca 0.11 0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2rpp h GLN 30 Cb 0.18 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2rpp h GLN 30 CO -0.24 -0.28 -0.24 0.00 -0.95 0.00 0.00 178.83 177.12 2rpp h ARG 31 N -0.43 0.00 -0.06 1.46 3.08 -1.18 -3.47 114.38 113.78 2rpp h ARG 31 Ca 0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2rpp h ARG 31 Cb 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2rpp h ARG 31 CO -0.30 0.24 0.00 0.41 -1.07 0.00 0.00 179.97 179.25 2rpp n GLY 32 N -0.85 1.23 1.78 0.04 0.00 0.13 -5.03 105.19 102.50 2rpp n GLY 32 Ca -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.49 1.39 -3.99 2.61 5.66 0.57 -4.99 114.28 115.04 2rpp n THR 33 Ca 0.00 -2.73 -0.33 0.00 -3.05 0.00 0.00 64.05 57.94 2rpp n THR 33 Cb 0.04 0.34 -0.14 0.00 -1.55 0.00 0.00 70.33 69.02 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 4.45 5.51 -4.19 0.00 2.88 -1.26 -4.87 113.62 116.14 2rpp n SER 35 Ca -0.08 -3.72 -0.34 0.00 -1.33 0.00 0.00 58.87 53.41 2rpp n SER 35 Cb 0.42 -0.85 -0.15 0.00 -0.75 0.00 0.00 64.21 62.88 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 -3.56 3.12 0.83 -1.46 0.52 -1.26 -5.07 118.95 112.06 2rpp s ARG 36 Ca 0.59 -0.76 -0.14 0.00 -0.52 0.00 0.00 55.73 54.90 2rpp s ARG 36 Cb 0.48 -2.74 0.06 0.00 0.52 0.00 0.00 34.95 33.27 2rpp s ARG 36 CO 0.04 -0.21 0.92 0.43 0.02 0.00 0.00 175.30 176.50 2rpp n SER 37 N 4.68 -0.03 0.09 0.23 7.64 -1.26 -4.24 113.62 120.74 2rpp n SER 37 Ca -0.20 0.53 0.19 0.00 1.01 0.00 0.00 58.87 60.40 2rpp n SER 37 Cb 0.50 -1.39 0.75 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.00 0.00 1.57 6.43 5.19 -1.89 0.65 116.42 127.38 2rpp h ASP 38 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2rpp h ASP 38 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2rpp h ASP 38 CO 0.43 0.00 -0.09 -0.33 -3.12 0.00 0.00 179.24 176.12 2rpp h GLU 39 N 0.00 0.00 0.00 3.56 3.07 -1.93 -3.37 114.58 115.91 2rpp h GLU 39 Ca 0.18 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.88 2rpp h GLU 39 Cb 0.86 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 2rpp h GLU 39 CO -0.00 0.00 -1.54 -1.91 -1.40 0.00 0.00 179.01 174.16 2rpp n GLU 40 N -2.54 0.55 -2.00 2.33 4.07 0.19 -4.97 120.64 118.27 2rpp n GLU 40 Ca 0.05 0.23 -0.41 0.00 -0.06 0.00 0.00 57.16 56.97 2rpp n GLU 40 Cb 0.47 -1.45 -0.02 0.00 -0.06 0.00 0.00 31.44 30.38 2rpp n GLU 40 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2rpp n LYS 42 N 1.27 1.27 -4.21 0.00 5.02 -1.26 -4.78 118.16 115.48 2rpp n LYS 42 Ca 0.03 -0.62 -0.13 0.00 -2.02 0.00 0.00 58.31 55.57 2rpp n LYS 42 Cb 0.41 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.07 2rpp n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2rpp s PHE 43 N -0.69 1.21 -0.17 2.13 0.40 -1.26 -5.07 117.98 114.53 2rpp s PHE 43 Ca 0.12 -1.37 -0.09 0.00 -0.60 0.00 0.00 56.93 54.99 2rpp s PHE 43 Cb 0.10 -0.59 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 2rpp s PHE 43 CO 0.01 -0.62 0.13 0.00 0.70 0.00 0.00 175.22 175.44 2rpp s ALA 44 N -4.11 3.75 -0.49 5.36 0.00 -1.24 -4.87 121.76 120.15 2rpp s ALA 44 Ca 0.39 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2rpp s ALA 44 Cb 0.07 -2.09 0.13 0.00 0.00 0.00 0.00 23.12 21.22 2rpp s ALA 44 CO 0.13 0.32 0.24 -1.01 0.00 0.00 0.00 175.76 175.43 2rpp s HIS 45 N -0.11 3.35 -0.03 0.00 3.76 -1.26 -2.15 115.29 118.85 2rpp s HIS 45 Ca 0.10 -3.05 -0.30 0.00 -0.15 0.00 0.00 55.06 51.66 2rpp s HIS 45 Cb -0.11 -2.91 -0.05 0.00 1.11 0.00 0.00 32.58 30.61 2rpp s HIS 45 CO 0.00 -0.81 1.48 -1.25 -0.85 0.00 0.00 174.74 173.31 2rpp s PRO 46 N 0.03 4.24 0.97 8.40 0.04 -1.26 -4.98 135.00 142.44 2rpp s PRO 46 Ca 0.15 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 2rpp s PRO 46 Cb -0.24 -3.72 0.17 0.00 0.04 0.00 0.00 34.50 30.75 2rpp s PRO 46 CO -0.02 -0.69 1.09 -1.25 0.04 0.00 0.00 177.00 176.17 2rpp s PRO 47 N 3.07 0.69 0.16 0.56 0.04 -1.26 -4.90 135.00 133.35 2rpp s PRO 47 Ca 0.66 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 2rpp s PRO 47 Cb -0.31 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.56 2rpp s PRO 47 CO 0.26 -2.58 1.73 0.87 0.04 0.00 0.00 177.00 177.32 2rpp h LYS 48 N -1.78 0.20 -0.90 4.56 1.79 -2.00 -1.81 116.57 116.63 2rpp h LYS 48 Ca -0.53 -0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.05 2rpp h LYS 48 Cb 1.31 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.84 2rpp h LYS 48 CO 0.57 0.13 0.53 0.77 -1.08 0.00 0.00 179.45 180.36 2rpp h SER 49 N 0.20 0.74 -3.23 0.86 0.02 -1.93 -3.39 113.55 106.81 2rpp h SER 49 Ca 0.18 0.06 -0.56 0.00 -0.84 0.00 0.00 61.79 60.63 2rpp h SER 49 Cb 0.21 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2rpp h SER 49 CO -0.24 0.39 0.59 0.00 -1.14 0.00 0.00 176.83 176.43 2rpp s GLN 51 N 2.12 3.14 -0.08 0.00 2.00 -1.18 -4.51 119.66 121.15 2rpp s GLN 51 Ca 0.49 2.04 0.05 0.00 -2.00 0.00 0.00 55.36 55.93 2rpp s GLN 51 Cb -0.18 -2.16 -0.00 0.00 0.80 0.00 0.00 33.01 31.46 2rpp s GLN 51 CO 0.17 -1.13 -0.24 0.08 -0.50 0.00 0.00 175.29 173.68 2rpp s VAL 52 N -1.42 1.99 0.63 1.34 1.01 -1.26 -4.60 120.40 118.09 2rpp s VAL 52 Ca 0.73 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 2rpp s VAL 52 Cb -0.36 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.35 2rpp s VAL 52 CO 0.41 0.55 0.94 -1.61 0.00 0.00 0.00 175.10 175.39 2rpp s GLU 53 N 0.15 2.62 -0.43 2.72 8.01 0.39 -4.94 118.70 127.21 2rpp s GLU 53 Ca -0.12 -0.15 -0.32 0.00 0.01 0.00 0.00 54.97 54.39 2rpp s GLU 53 Cb -0.16 -2.24 -0.11 0.00 -4.31 0.00 0.00 34.13 27.30 2rpp s GLU 53 CO 0.06 -0.91 2.29 0.09 0.01 0.00 0.00 175.26 176.80 2rpp n ASN 54 N -2.70 2.06 -1.51 -0.19 3.02 -1.26 -0.74 115.26 113.94 2rpp n ASN 54 Ca 0.06 0.20 -0.15 0.00 -0.03 0.00 0.00 54.58 54.66 2rpp n ASN 54 Cb 0.59 -1.31 -0.06 0.00 -0.61 0.00 0.00 39.78 38.39 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rpp n GLY 55 N 6.38 1.33 3.72 7.41 0.00 -1.26 -4.87 105.19 117.90 2rpp n GLY 55 Ca 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.41 1.86 -0.14 1.61 3.52 0.08 -4.43 118.95 118.03 2rpp s ARG 56 Ca 0.00 -1.28 -0.12 0.00 -0.13 0.00 0.00 55.73 54.20 2rpp s ARG 56 Cb 0.00 0.56 0.04 0.00 -1.56 0.00 0.00 34.95 33.99 2rpp s ARG 56 CO 0.00 -0.83 0.38 0.54 -0.81 0.00 0.00 175.30 174.58 2rpp s VAL 57 N -3.40 -0.01 0.03 7.11 0.11 -1.19 0.15 120.40 123.20 2rpp s VAL 57 Ca 0.18 0.03 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 2rpp s VAL 57 Cb -0.04 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.22 2rpp s VAL 57 CO 0.10 0.01 0.72 -0.63 -3.33 0.00 0.00 175.10 171.97 2rpp s ILE 58 N 0.50 4.78 0.32 7.04 1.01 -1.26 -1.96 121.20 131.63 2rpp s ILE 58 Ca -0.02 1.52 -0.19 0.00 0.00 0.00 0.00 60.65 61.95 2rpp s ILE 58 Cb -0.04 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 2rpp s ILE 58 CO -0.03 0.38 0.81 0.00 0.00 0.00 0.00 174.94 176.11 2rpp s ALA 59 N -0.09 3.26 0.39 9.38 0.00 -1.09 -2.91 121.76 130.70 2rpp s ALA 59 Ca 0.36 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 2rpp s ALA 59 Cb -0.20 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 2rpp s ALA 59 CO 0.21 0.26 1.09 0.00 0.00 0.00 0.00 175.76 177.32 2rpp h PHE 61 N 2.65 -0.05 -0.04 0.00 3.57 -1.96 -3.31 116.94 117.81 2rpp h PHE 61 Ca -0.48 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.04 2rpp h PHE 61 Cb 1.22 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 2rpp h PHE 61 CO 0.57 0.57 -0.12 -0.44 -2.23 0.00 0.00 178.31 176.66 2rpp h ASP 62 N -0.93 -0.35 -0.99 0.41 5.19 -1.94 -2.48 116.42 115.33 2rpp h ASP 62 Ca -0.01 0.06 0.26 0.00 -0.62 0.00 0.00 57.03 56.72 2rpp h ASP 62 Cb 0.64 0.16 -0.18 0.00 0.18 0.00 0.00 39.33 40.13 2rpp h ASP 62 CO 0.01 -0.17 -0.01 0.77 -3.12 0.00 0.00 179.24 176.72 2rpp h SER 63 N -0.18 -0.55 -0.98 6.45 4.64 -1.81 0.64 113.55 121.75 2rpp h SER 63 Ca 0.06 0.28 0.34 0.00 -0.47 0.00 0.00 61.79 62.00 2rpp h SER 63 Cb 0.26 0.51 -0.17 0.00 -0.31 0.00 0.00 62.40 62.68 2rpp h SER 63 CO -0.14 -0.35 0.36 -0.07 -0.87 0.00 0.00 176.83 175.75 2rpp h LEU 64 N 0.01 0.08 -0.81 5.97 3.38 -1.52 1.74 115.31 124.16 2rpp h LEU 64 Ca 0.58 0.25 -0.13 0.00 0.09 0.00 0.00 57.88 58.67 2rpp h LEU 64 Cb 1.16 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2rpp h LEU 64 CO -0.94 -0.33 -0.54 0.11 0.09 0.00 0.00 178.44 176.83 2rpp h LYS 65 N 0.08 0.15 0.00 1.13 1.79 0.16 -3.47 116.57 116.41 2rpp h LYS 65 Ca 0.72 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 59.10 2rpp h LYS 65 Cb 1.73 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.39 2rpp h LYS 65 CO -0.77 0.65 0.00 0.41 -1.08 0.00 0.00 179.45 178.66 2rpp n GLY 66 N 0.08 1.20 2.78 3.86 0.00 0.59 -5.06 105.19 108.65 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 -0.33 0.90 0.18 1.61 3.52 -1.26 -4.97 118.95 118.60 2rpp s ARG 67 Ca 0.00 -0.91 0.03 0.00 -0.13 0.00 0.00 55.73 54.72 2rpp s ARG 67 Cb 0.00 -2.19 -0.03 0.00 -1.56 0.00 0.00 34.95 31.17 2rpp s ARG 67 CO 0.00 -0.82 0.30 0.00 -0.81 0.00 0.00 175.30 173.97 2rpp n SER 69 N -0.79 0.75 -3.30 0.00 2.88 -1.26 -5.03 113.62 106.87 2rpp n SER 69 Ca -0.08 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.00 2rpp n SER 69 Cb 0.55 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.88 0.00 0.00 -1.46 5.12 -1.26 -4.85 116.66 111.34 2rpp n ARG 70 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2rpp n ARG 70 Cb 0.48 -1.09 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 2rpp n ARG 70 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2rpp n GLU 71 N 3.91 0.00 -0.61 5.56 4.07 -1.26 -3.09 120.64 129.22 2rpp n GLU 71 Ca 0.29 0.46 -0.10 0.00 -0.06 0.00 0.00 57.16 57.75 2rpp n GLU 71 Cb -0.04 -1.44 0.04 0.00 -0.06 0.00 0.00 31.44 29.94 2rpp n GLU 71 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2rpp n ASN 72 N -1.87 4.82 -4.10 4.31 3.02 -1.26 -4.95 115.26 115.23 2rpp n ASN 72 Ca 0.00 -2.72 -0.58 0.00 -0.03 0.00 0.00 54.58 51.24 2rpp n ASN 72 Cb 0.00 -0.87 -0.10 0.00 -0.61 0.00 0.00 39.78 38.20 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rpp n LYS 74 N 5.20 1.60 -3.88 0.00 2.85 -1.26 -4.28 118.16 118.39 2rpp n LYS 74 Ca 0.39 -1.26 -0.13 0.00 -1.05 0.00 0.00 58.31 56.26 2rpp n LYS 74 Cb -0.05 -1.49 -0.14 0.00 -0.65 0.00 0.00 35.03 32.70 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 -1.44 0.05 0.51 5.58 2.02 -1.26 -3.10 117.35 119.72 2rpp s TYR 75 Ca 0.25 0.01 -0.19 0.00 -0.37 0.00 0.00 57.07 56.77 2rpp s TYR 75 Cb 0.20 -0.07 -0.07 0.00 -0.40 0.00 0.00 41.96 41.62 2rpp s TYR 75 CO 0.01 -0.02 1.03 -1.17 -1.57 0.00 0.00 175.55 173.84 2rpp s LEU 76 N 0.16 3.73 -0.55 -1.29 2.96 -1.15 -4.55 118.68 118.00 2rpp s LEU 76 Ca -0.01 1.84 -0.08 0.00 -0.22 0.00 0.00 54.13 55.66 2rpp s LEU 76 Cb -0.02 -4.55 0.14 0.00 0.50 0.00 0.00 46.19 42.26 2rpp s LEU 76 CO -0.00 -0.83 0.41 -1.00 -1.32 0.00 0.00 176.35 173.60 2rpp s HIS 77 N -2.20 3.48 0.50 5.38 3.76 -1.26 -0.84 115.29 124.12 2rpp s HIS 77 Ca 0.65 -2.15 -0.21 0.00 -0.15 0.00 0.00 55.06 53.20 2rpp s HIS 77 Cb -0.15 -3.44 -0.07 0.00 1.11 0.00 0.00 32.58 30.03 2rpp s HIS 77 CO 0.25 -0.96 1.15 -1.25 -0.85 0.00 0.00 174.74 173.08 2rpp s PRO 78 N 0.84 3.55 1.11 8.40 0.04 -1.26 -5.04 135.00 142.64 2rpp s PRO 78 Ca 0.10 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 2rpp s PRO 78 Cb -0.22 -2.20 0.24 0.00 0.04 0.00 0.00 34.50 32.36 2rpp s PRO 78 CO -0.03 -0.71 1.10 -1.25 0.04 0.00 0.00 177.00 176.16 2rpp s PRO 79 N -3.00 -0.50 0.03 0.56 0.04 -1.26 -4.70 135.00 126.16 2rpp s PRO 79 Ca 0.68 0.19 -0.25 0.00 0.04 0.00 0.00 61.00 61.66 2rpp s PRO 79 Cb -0.26 -1.66 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 2rpp s PRO 79 CO 0.31 -3.28 1.21 1.15 0.04 0.00 0.00 177.00 176.43 2rpp h THR 80 N -2.28 0.00 -1.00 1.26 2.02 -1.97 0.23 112.91 111.17 2rpp h THR 80 Ca -0.50 -0.14 0.38 0.00 0.77 0.00 0.00 66.41 66.92 2rpp h THR 80 Cb 1.31 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.55 2rpp h THR 80 CO 0.45 0.00 0.43 1.12 0.37 0.00 0.00 175.52 177.89 2rpp h HIS 81 N -1.05 0.65 0.13 3.16 2.07 -1.98 0.10 115.15 118.21 2rpp h HIS 81 Ca -0.09 0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.47 2rpp h HIS 81 Cb 0.70 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.57 2rpp h HIS 81 CO 0.04 -0.44 -0.06 -0.07 -3.07 0.00 0.00 177.93 174.33 2rpp h LEU 82 N 0.04 -0.15 -0.81 6.12 3.38 -1.90 -3.28 115.31 118.71 2rpp h LEU 82 Ca 0.78 -0.33 0.30 0.00 0.09 0.00 0.00 57.88 58.72 2rpp h LEU 82 Cb 1.96 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 42.65 2rpp h LEU 82 CO -0.78 0.45 0.49 0.29 0.09 0.00 0.00 178.44 178.98 2rpp n LYS 83 N -4.86 -0.03 -0.09 1.13 5.02 0.79 0.13 118.16 120.26 2rpp n LYS 83 Ca -0.06 0.85 -0.07 0.00 -2.02 0.00 0.00 58.31 57.01 2rpp n LYS 83 Cb 0.23 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 0.41 -0.85 -0.18 2.02 -1.51 -1.56 112.91 111.24 2rpp h THR 84 Ca 0.57 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.93 2rpp h THR 84 Cb 1.71 0.41 -0.16 0.00 -1.74 0.00 0.00 68.15 68.37 2rpp h THR 84 CO -0.38 0.00 -0.12 1.56 0.37 0.00 0.00 175.52 176.95 2rpp h GLN 85 N -0.18 0.03 -0.43 6.66 7.50 0.94 0.18 115.11 129.81 2rpp h GLN 85 Ca 0.17 -0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.40 2rpp h GLN 85 Cb 0.44 -0.01 -0.08 0.00 0.05 0.00 0.00 27.48 27.87 2rpp h GLN 85 CO -0.43 0.02 -0.13 -0.07 -1.50 0.00 0.00 178.83 176.71 2rpp h LEU 86 N 0.03 -0.48 0.07 1.46 3.38 -1.37 -2.36 115.31 116.04 2rpp h LEU 86 Ca 0.44 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.57 2rpp h LEU 86 Cb 0.74 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 2rpp h LEU 86 CO -0.83 -0.17 -0.46 -0.33 0.09 0.00 0.00 178.44 176.74 2rpp h GLU 87 N -0.03 -0.63 -1.13 1.13 4.39 -0.56 -0.87 114.58 116.88 2rpp h GLU 87 Ca 0.21 0.04 0.36 0.00 0.34 0.00 0.00 59.36 60.32 2rpp h GLU 87 Cb 0.35 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 29.01 2rpp h GLU 87 CO -0.46 -0.42 0.69 0.82 -1.16 0.00 0.00 179.01 178.48 2rpp h ILE 88 N -0.66 0.24 -5.87 3.13 2.04 -1.04 -3.45 117.51 111.91 2rpp h ILE 88 Ca 0.02 -0.07 -0.38 0.00 1.00 0.00 0.00 64.86 65.43 2rpp h ILE 88 Cb 0.70 0.01 0.11 0.00 -0.74 0.00 0.00 36.82 36.90 2rpp h ILE 88 CO -0.29 0.04 -0.78 0.59 0.00 0.00 0.00 178.15 177.71 2rpp n ASN 89 N -4.86 -2.41 -4.26 1.72 4.13 -0.33 -4.94 115.26 104.30 2rpp n ASN 89 Ca 0.33 -0.69 -0.44 0.00 1.68 0.00 0.00 54.58 55.46 2rpp n ASN 89 Cb 1.16 -4.66 -0.04 0.00 -1.54 0.00 0.00 39.78 34.70 2rpp n ASN 89 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2rpp s SER 90 N -4.17 6.34 0.00 6.41 0.01 -1.26 -4.82 113.70 116.20 2rpp s SER 90 Ca 0.11 -2.75 0.00 0.00 1.31 0.00 0.00 55.95 54.62 2rpp s SER 90 Cb -0.05 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2rpp s SER 90 CO 0.77 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2rpp n GLY 91 N 3.82 2.60 0.00 3.44 0.00 -1.26 -4.94 105.19 108.85 2rpp n GLY 91 Ca 0.12 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 0.12 -3.13 1.61 -0.04 -1.26 -4.64 135.00 127.66 2rpp n PRO 92 Ca 0.00 0.19 -0.41 0.00 -0.04 0.00 0.00 63.50 63.24 2rpp n PRO 92 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2rpp n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2rpp s SER 93 N -2.75 6.51 -0.20 3.54 0.15 -1.26 -5.05 113.70 114.63 2rpp s SER 93 Ca 0.11 0.52 -0.06 0.00 0.70 0.00 0.00 55.95 57.22 2rpp s SER 93 Cb 0.10 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 2rpp s SER 93 CO 0.24 -0.42 0.02 -0.44 1.20 0.00 0.00 173.24 173.84 2rpp s SER 94 N 1.58 5.00 0.00 5.45 0.01 -1.26 -4.94 113.70 119.54 2rpp s SER 94 Ca 0.25 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2rpp s SER 94 Cb -0.15 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2rpp s SER 94 CO 0.10 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.44