#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 1.77 0.31 1.61 0.01 -1.26 -5.03 113.70 111.10 2rpp s SER 8 Ca 0.00 -1.30 0.06 0.00 1.31 0.00 0.00 55.95 56.01 2rpp s SER 8 Cb 0.00 0.03 0.83 0.00 0.21 0.00 0.00 66.02 67.09 2rpp s SER 8 CO 0.00 -0.60 1.64 0.28 0.41 0.00 0.00 173.24 174.97 2rpp h SER 9 N 2.36 0.06 -0.79 2.44 0.02 -2.15 -3.41 113.55 112.08 2rpp h SER 9 Ca -0.39 0.21 -0.67 0.00 -0.84 0.00 0.00 61.79 60.10 2rpp h SER 9 Cb 1.23 0.27 0.02 0.00 0.14 0.00 0.00 62.40 64.06 2rpp h SER 9 CO 0.65 -0.20 0.39 0.61 -1.14 0.00 0.00 176.83 177.15 2rpp n GLY 10 N -1.37 0.04 3.10 -3.77 0.00 -1.26 -4.93 105.19 96.99 2rpp n GLY 10 Ca 0.25 0.74 -0.09 0.00 0.00 0.00 0.00 46.02 46.91 2rpp n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpp s SER 11 N 1.66 0.19 0.12 1.61 0.01 -1.26 -5.15 113.70 110.87 2rpp s SER 11 Ca 0.80 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 57.61 2rpp s SER 11 Cb -1.13 0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 2rpp s SER 11 CO 0.59 -0.47 -0.20 -0.44 0.41 0.00 0.00 173.24 173.12 2rpp s SER 12 N -2.01 2.56 0.00 2.44 0.01 -1.26 -5.15 113.70 110.29 2rpp s SER 12 Ca -0.07 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2rpp s SER 12 Cb -0.02 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2rpp s SER 12 CO -0.04 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2rpp n GLY 13 N 0.90 4.03 3.65 3.44 0.00 -1.26 -5.13 105.19 110.82 2rpp n GLY 13 Ca -0.18 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 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 2.66 -0.18 0.03 1.61 0.04 -1.26 -4.99 135.00 132.91 2rpp s PRO 14 Ca 0.00 0.31 -0.18 0.00 0.04 0.00 0.00 61.00 61.17 2rpp s PRO 14 Cb 0.00 -1.68 -0.21 0.00 0.04 0.00 0.00 34.50 32.64 2rpp s PRO 14 CO 0.00 -3.09 1.16 -0.39 0.04 0.00 0.00 177.00 174.72 2rpp h VAL 15 N -2.15 1.38 -3.33 -0.36 -1.51 -2.08 -3.39 116.25 104.80 2rpp h VAL 15 Ca -0.52 -2.01 -0.64 0.00 -1.23 0.00 0.00 66.70 62.29 2rpp h VAL 15 Cb 1.32 2.41 -0.41 0.00 -2.13 0.00 0.00 31.29 32.49 2rpp h VAL 15 CO 0.50 0.60 -0.58 -0.60 -1.23 0.00 0.00 177.57 176.26 2rpp s ARG 16 N -3.40 2.16 0.18 5.19 6.06 -1.26 -5.08 118.95 122.80 2rpp s ARG 16 Ca -0.12 -2.79 -0.33 0.00 -2.50 0.00 0.00 55.73 49.99 2rpp s ARG 16 Cb 0.05 -3.39 -0.15 0.00 0.06 0.00 0.00 34.95 31.52 2rpp s ARG 16 CO 0.84 -1.16 1.38 -3.47 -2.50 0.00 0.00 175.30 170.40 2rpp n ASP 17 N 2.88 2.34 -2.10 -2.12 2.03 -1.26 -4.83 116.55 113.49 2rpp n ASP 17 Ca 0.09 1.12 -0.15 0.00 0.52 0.00 0.00 54.79 56.37 2rpp n ASP 17 Cb 0.33 -1.34 -0.14 0.00 -0.72 0.00 0.00 41.12 39.25 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 2.28 3.06 0.12 5.18 -2.24 -1.26 -4.36 114.28 117.07 2rpp n THR 18 Ca 0.15 -1.82 -0.24 0.00 -2.27 0.00 0.00 64.05 59.87 2rpp n THR 18 Cb 0.27 -1.91 -0.15 0.00 -2.10 0.00 0.00 70.33 66.45 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 2.99 0.58 -0.74 -0.78 5.09 -2.03 -3.24 116.57 118.43 2rpp h LYS 19 Ca 0.23 -0.89 0.00 0.00 0.09 0.00 0.00 60.65 60.08 2rpp h LYS 19 Cb 1.34 0.32 0.00 0.00 0.10 0.00 0.00 32.23 33.99 2rpp h LYS 19 CO 0.37 1.42 0.00 -2.67 -2.09 0.00 0.00 179.45 176.48 2rpp n TRP 20 N -3.76 1.08 -2.02 0.07 4.27 -1.26 -4.05 117.44 111.77 2rpp n TRP 20 Ca -0.16 -0.38 -0.22 0.00 -3.89 0.00 0.00 57.50 52.85 2rpp n TRP 20 Cb 1.05 -0.30 0.03 0.00 -1.36 0.00 0.00 31.31 30.73 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 0.37 4.78 -4.57 5.67 4.77 -1.22 -4.82 117.00 121.97 2rpp n LEU 21 Ca 0.15 -4.68 -0.30 0.00 -0.03 0.00 0.00 56.01 51.14 2rpp n LEU 21 Cb 0.73 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 2rpp n LEU 21 CO 0.17 2.06 -0.42 0.42 -1.33 0.00 0.00 177.39 178.29 2rpp s THR 22 N -4.53 3.39 -0.05 -5.08 -4.23 -1.26 -0.30 115.64 103.58 2rpp s THR 22 Ca 0.50 -1.15 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 2rpp s THR 22 Cb 0.41 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.71 2rpp s THR 22 CO 0.03 0.19 0.15 -0.76 -0.54 0.00 0.00 174.62 173.69 2rpp s LEU 23 N -1.98 1.44 0.03 4.79 1.43 -0.59 -4.93 118.68 118.87 2rpp s LEU 23 Ca 0.20 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 2rpp s LEU 23 Cb -0.11 0.53 -0.07 0.00 0.03 0.00 0.00 46.19 46.57 2rpp s LEU 23 CO 0.12 -0.09 1.55 -1.61 0.23 0.00 0.00 176.35 176.55 2rpp s GLU 24 N -0.08 4.23 0.28 1.70 2.02 -1.26 -2.73 118.70 122.86 2rpp s GLU 24 Ca -0.02 2.17 -0.29 0.00 0.02 0.00 0.00 54.97 56.85 2rpp s GLU 24 Cb -0.02 -3.62 -0.09 0.00 0.10 0.00 0.00 34.13 30.50 2rpp s GLU 24 CO 0.00 -0.68 1.05 0.08 0.02 0.00 0.00 175.26 175.73 2rpp s VAL 25 N 2.65 3.69 -0.40 2.63 1.01 -1.26 -3.87 120.40 124.86 2rpp s VAL 25 Ca 0.70 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 64.05 2rpp s VAL 25 Cb -0.36 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 2rpp s VAL 25 CO 0.30 0.35 2.23 0.00 0.00 0.00 0.00 175.10 177.97 2rpp n ARG 27 N 8.89 -0.27 0.15 0.00 0.63 -1.26 -0.40 116.66 124.40 2rpp n ARG 27 Ca 0.31 1.29 -0.15 0.00 -0.92 0.00 0.00 57.85 58.38 2rpp n ARG 27 Cb 0.51 -1.90 -0.08 0.00 0.45 0.00 0.00 32.46 31.43 2rpp n ARG 27 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2rpp h GLN 28 N 0.00 -0.70 -0.90 -0.14 1.08 -1.93 -2.62 115.11 109.90 2rpp h GLN 28 Ca 0.23 0.05 0.13 0.00 -1.45 0.00 0.00 58.65 57.60 2rpp h GLN 28 Cb 0.44 0.16 -0.14 0.00 -0.05 0.00 0.00 27.48 27.89 2rpp h GLN 28 CO -0.82 -0.47 -0.39 0.34 -0.95 0.00 0.00 178.83 176.55 2rpp n PHE 29 N -5.48 -0.07 -0.30 2.96 7.35 0.47 0.54 117.46 122.94 2rpp n PHE 29 Ca -0.08 1.12 0.04 0.00 -0.76 0.00 0.00 57.45 57.76 2rpp n PHE 29 Cb 0.40 -0.78 0.12 0.00 0.35 0.00 0.00 39.48 39.57 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 0.01 -0.07 -4.13 1.08 -1.01 0.51 115.11 111.50 2rpp h GLN 30 Ca 0.28 -0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.32 2rpp h GLN 30 Cb 0.50 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2rpp h GLN 30 CO -0.89 0.01 -0.63 0.00 -0.95 0.00 0.00 178.83 176.37 2rpp h ARG 31 N 0.01 0.27 -0.04 1.46 3.08 0.13 -3.48 114.38 115.81 2rpp h ARG 31 Ca 0.42 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2rpp h ARG 31 Cb 0.67 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2rpp h ARG 31 CO -0.85 0.81 0.00 0.41 -1.07 0.00 0.00 179.97 179.27 2rpp n GLY 32 N 0.34 1.12 2.19 0.04 0.00 0.18 -5.03 105.19 104.03 2rpp n GLY 32 Ca -0.03 -0.03 -0.06 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 -0.24 1.52 -3.89 2.61 5.66 -1.18 -5.00 114.28 113.75 2rpp n THR 33 Ca 0.00 -3.02 -0.35 0.00 -3.05 0.00 0.00 64.05 57.63 2rpp n THR 33 Cb 0.02 0.43 -0.14 0.00 -1.55 0.00 0.00 70.33 69.09 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 4.76 5.33 -4.29 0.00 3.41 -1.26 -4.89 113.62 116.68 2rpp n SER 35 Ca -0.16 -3.31 -0.31 0.00 -0.26 0.00 0.00 58.87 54.82 2rpp n SER 35 Cb 0.48 -0.89 -0.16 0.00 -0.26 0.00 0.00 64.21 63.39 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 -2.63 2.35 1.13 4.33 1.81 -1.26 -5.05 118.95 119.62 2rpp s ARG 36 Ca 0.45 -0.91 -0.19 0.00 -1.72 0.00 0.00 55.73 53.36 2rpp s ARG 36 Cb 0.37 -2.11 0.28 0.00 -0.45 0.00 0.00 34.95 33.03 2rpp s ARG 36 CO 0.04 0.47 1.00 0.45 -0.68 0.00 0.00 175.30 176.57 2rpp n SER 37 N 2.71 -2.04 0.08 0.23 2.88 -1.26 -4.65 113.62 111.58 2rpp n SER 37 Ca -0.17 -1.11 -0.08 0.00 -1.33 0.00 0.00 58.87 56.19 2rpp n SER 37 Cb 0.52 -0.92 0.03 0.00 -0.75 0.00 0.00 64.21 63.09 2rpp n SER 37 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2rpp h ASP 38 N -2.59 0.29 -0.23 -3.46 3.32 -1.92 -1.92 116.42 109.91 2rpp h ASP 38 Ca -0.38 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2rpp h ASP 38 Cb 1.15 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2rpp h ASP 38 CO 0.25 0.96 0.00 -0.62 -1.72 0.00 0.00 179.24 178.11 2rpp n GLU 39 N -3.74 2.37 -0.11 3.56 1.02 -1.26 -4.43 120.64 118.05 2rpp n GLU 39 Ca -0.03 -2.11 -0.23 0.00 -0.02 0.00 0.00 57.16 54.77 2rpp n GLU 39 Cb 0.75 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.60 2rpp n GLU 39 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2rpp n GLU 40 N 1.40 0.50 -1.67 3.49 1.02 -1.19 -5.00 120.64 119.18 2rpp n GLU 40 Ca 0.17 0.20 -0.34 0.00 -0.02 0.00 0.00 57.16 57.17 2rpp n GLU 40 Cb 0.59 -1.34 0.06 0.00 -0.02 0.00 0.00 31.44 30.73 2rpp n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rpp n LYS 42 N -2.46 0.20 -4.48 0.00 4.76 -1.26 -4.83 118.16 110.09 2rpp n LYS 42 Ca 0.11 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 2rpp n LYS 42 Cb 0.51 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.10 2rpp n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2rpp s PHE 43 N -2.80 2.50 -0.04 2.13 0.40 -1.26 -5.00 117.98 113.92 2rpp s PHE 43 Ca 0.21 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 55.86 2rpp s PHE 43 Cb 0.20 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.04 2rpp s PHE 43 CO 0.50 0.46 0.30 0.00 0.70 0.00 0.00 175.22 177.17 2rpp s ALA 44 N -2.63 3.78 -0.50 5.36 0.00 -1.25 -4.85 121.76 121.67 2rpp s ALA 44 Ca 0.35 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.91 2rpp s ALA 44 Cb 0.05 -2.19 0.13 0.00 0.00 0.00 0.00 23.12 21.11 2rpp s ALA 44 CO 0.18 0.56 0.26 -1.01 0.00 0.00 0.00 175.76 175.75 2rpp s HIS 45 N -1.11 3.37 0.01 0.00 0.09 -1.26 -2.74 115.29 113.65 2rpp s HIS 45 Ca 0.22 -3.00 -0.30 0.00 -0.00 0.00 0.00 55.06 51.98 2rpp s HIS 45 Cb -0.14 -2.95 -0.06 0.00 -0.00 0.00 0.00 32.58 29.43 2rpp s HIS 45 CO 0.11 -0.82 1.44 -1.25 -0.00 0.00 0.00 174.74 174.22 2rpp s PRO 46 N 0.07 4.27 1.20 8.40 0.04 -1.26 -5.02 135.00 142.70 2rpp s PRO 46 Ca 0.15 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.03 2rpp s PRO 46 Cb -0.23 -3.57 0.28 0.00 0.04 0.00 0.00 34.50 31.02 2rpp s PRO 46 CO -0.03 -0.60 1.11 -1.25 0.04 0.00 0.00 177.00 176.27 2rpp s PRO 47 N 2.42 -1.18 0.05 0.56 0.04 -1.26 -4.93 135.00 130.71 2rpp s PRO 47 Ca 0.65 -0.04 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 2rpp s PRO 47 Cb -0.33 -1.60 -0.17 0.00 0.04 0.00 0.00 34.50 32.44 2rpp s PRO 47 CO 0.27 -3.69 1.53 0.87 0.04 0.00 0.00 177.00 176.03 2rpp h LYS 48 N -2.56 -0.42 -0.81 4.56 1.79 -1.99 -2.98 116.57 114.17 2rpp h LYS 48 Ca -0.45 0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.20 2rpp h LYS 48 Cb 1.30 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 31.94 2rpp h LYS 48 CO 0.35 -0.20 0.36 0.66 -1.08 0.00 0.00 179.45 179.55 2rpp h SER 49 N -0.56 0.38 -3.33 0.86 4.64 -1.95 -3.40 113.55 110.19 2rpp h SER 49 Ca -0.04 0.11 -0.53 0.00 -0.47 0.00 0.00 61.79 60.86 2rpp h SER 49 Cb 0.41 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2rpp h SER 49 CO 0.07 0.13 0.57 0.00 -0.87 0.00 0.00 176.83 176.73 2rpp s GLN 51 N 0.37 2.54 -0.04 0.00 2.00 -1.02 -4.58 119.66 118.93 2rpp s GLN 51 Ca 0.56 1.75 -0.00 0.00 -2.00 0.00 0.00 55.36 55.66 2rpp s GLN 51 Cb -0.32 -1.88 0.03 0.00 0.80 0.00 0.00 33.01 31.64 2rpp s GLN 51 CO 0.33 -1.52 0.02 0.08 -0.50 0.00 0.00 175.29 173.69 2rpp s VAL 52 N -1.87 0.13 0.67 1.34 1.01 -1.26 -4.63 120.40 115.79 2rpp s VAL 52 Ca 0.75 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.85 2rpp s VAL 52 Cb -0.29 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 35.86 2rpp s VAL 52 CO 0.40 0.17 0.97 -0.70 0.00 0.00 0.00 175.10 175.94 2rpp s GLU 53 N 1.46 2.38 -0.41 2.72 2.56 0.39 -4.94 118.70 122.86 2rpp s GLU 53 Ca -0.04 -0.26 -0.32 0.00 0.00 0.00 0.00 54.97 54.36 2rpp s GLU 53 Cb -0.13 -2.22 -0.10 0.00 2.00 0.00 0.00 34.13 33.67 2rpp s GLU 53 CO -0.03 -1.07 2.29 -1.71 -0.56 0.00 0.00 175.26 174.18 2rpp n ASN 54 N -2.79 2.18 -1.50 -1.70 2.85 -1.26 -0.96 115.26 112.08 2rpp n ASN 54 Ca 0.07 0.18 -0.15 0.00 -0.11 0.00 0.00 54.58 54.57 2rpp n ASN 54 Cb 0.60 -1.34 -0.06 0.00 1.24 0.00 0.00 39.78 40.22 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 6.31 1.29 3.56 8.20 0.00 -1.26 -4.88 105.19 118.40 2rpp n GLY 55 Ca 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.38 1.45 -0.08 1.61 3.52 -0.14 -4.07 118.95 117.87 2rpp s ARG 56 Ca 0.00 -1.05 -0.13 0.00 -0.13 0.00 0.00 55.73 54.42 2rpp s ARG 56 Cb 0.00 0.49 0.03 0.00 -1.56 0.00 0.00 34.95 33.91 2rpp s ARG 56 CO 0.00 -0.61 0.33 0.54 -0.81 0.00 0.00 175.30 174.75 2rpp s VAL 57 N -3.94 0.03 -0.14 7.11 0.11 -1.11 0.15 120.40 122.61 2rpp s VAL 57 Ca 0.15 -0.22 -0.16 0.00 -2.93 0.00 0.00 61.98 58.82 2rpp s VAL 57 Cb -0.01 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2rpp s VAL 57 CO 0.02 -0.12 0.37 -0.63 -3.33 0.00 0.00 175.10 171.41 2rpp s ILE 58 N -0.53 5.26 0.37 7.04 1.01 -1.26 -1.55 121.20 131.54 2rpp s ILE 58 Ca -0.06 0.71 -0.25 0.00 0.00 0.00 0.00 60.65 61.05 2rpp s ILE 58 Cb -0.04 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 2rpp s ILE 58 CO 0.02 0.36 1.01 0.00 0.00 0.00 0.00 174.94 176.33 2rpp s ALA 59 N 0.55 3.14 0.49 9.38 0.00 0.59 -3.12 121.76 132.80 2rpp s ALA 59 Ca 0.20 0.62 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 2rpp s ALA 59 Cb -0.14 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 2rpp s ALA 59 CO 0.06 -0.05 1.13 0.00 0.00 0.00 0.00 175.76 176.91 2rpp h PHE 61 N 1.69 -0.21 -0.60 0.00 3.04 -1.95 -3.30 116.94 115.61 2rpp h PHE 61 Ca -0.50 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 61.57 2rpp h PHE 61 Cb 1.25 0.07 -0.10 0.00 2.56 0.00 0.00 35.95 39.73 2rpp h PHE 61 CO 0.53 -0.13 -0.02 -0.44 -2.02 0.00 0.00 178.31 176.23 2rpp h ASP 62 N -0.77 -0.31 -1.24 0.41 3.32 -1.94 0.12 116.42 116.00 2rpp h ASP 62 Ca -0.02 0.15 0.38 0.00 0.02 0.00 0.00 57.03 57.56 2rpp h ASP 62 Cb 0.18 0.28 -0.11 0.00 0.22 0.00 0.00 39.33 39.89 2rpp h ASP 62 CO 0.04 -0.12 0.81 0.77 -1.72 0.00 0.00 179.24 179.01 2rpp h SER 63 N 0.10 0.29 -0.71 6.45 4.64 -1.81 0.53 113.55 123.04 2rpp h SER 63 Ca 0.31 0.11 0.09 0.00 -0.47 0.00 0.00 61.79 61.83 2rpp h SER 63 Cb 0.49 0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.60 2rpp h SER 63 CO -0.53 -0.10 0.36 -0.07 -0.87 0.00 0.00 176.83 175.62 2rpp h LEU 64 N 0.17 0.47 -1.37 5.97 3.38 -0.83 0.35 115.31 123.45 2rpp h LEU 64 Ca 0.75 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.72 2rpp h LEU 64 Cb 2.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.99 2rpp h LEU 64 CO -0.36 0.27 -0.26 0.11 0.09 0.00 0.00 178.44 178.29 2rpp h LYS 65 N 0.61 0.00 0.00 1.13 1.79 -0.04 -3.46 116.57 116.60 2rpp h LYS 65 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2rpp h LYS 65 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2rpp h LYS 65 CO -0.26 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2rpp n GLY 66 N -0.24 1.25 2.80 3.86 0.00 0.11 -5.05 105.19 107.94 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 -1.60 0.00 0.00 0.00 173.32 171.72 2rpp s ARG 67 N -0.54 0.97 0.09 1.61 3.52 -1.25 -4.97 118.95 118.39 2rpp s ARG 67 Ca 0.00 -0.90 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2rpp s ARG 67 Cb 0.00 -2.25 -0.04 0.00 -1.56 0.00 0.00 34.95 31.10 2rpp s ARG 67 CO 0.00 -0.78 0.23 0.00 -0.81 0.00 0.00 175.30 173.94 2rpp n SER 69 N 0.05 0.81 -3.36 0.00 2.88 -1.26 -5.02 113.62 107.72 2rpp n SER 69 Ca -0.06 0.04 -0.48 0.00 -1.33 0.00 0.00 58.87 57.05 2rpp n SER 69 Cb 0.52 -0.11 -0.08 0.00 -0.75 0.00 0.00 64.21 63.78 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 -3.10 0.00 0.08 -1.46 1.74 -1.26 -4.84 116.66 107.82 2rpp n ARG 70 Ca -0.08 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 2rpp n ARG 70 Cb 0.56 -1.13 -0.02 0.00 -1.02 0.00 0.00 32.46 30.85 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 5.62 -0.20 -1.52 5.56 3.07 -2.06 -3.03 114.58 122.01 2rpp h GLU 71 Ca -0.18 0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.50 2rpp h GLU 71 Cb 1.06 0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.93 2rpp h GLU 71 CO 0.79 -0.13 0.25 0.09 -1.40 0.00 0.00 179.01 178.61 2rpp n ASN 72 N -2.57 5.36 -4.27 1.42 3.02 -1.26 -4.94 115.26 112.01 2rpp n ASN 72 Ca -0.03 -2.75 -0.59 0.00 -0.03 0.00 0.00 54.58 51.18 2rpp n ASN 72 Cb 0.08 -0.96 -0.12 0.00 -0.61 0.00 0.00 39.78 38.17 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 7.48 1.30 -4.03 0.00 2.85 -1.26 -4.42 118.16 120.07 2rpp n LYS 74 Ca 0.53 -0.64 -0.13 0.00 -1.05 0.00 0.00 58.31 57.02 2rpp n LYS 74 Cb -0.02 -1.25 -0.13 0.00 -0.65 0.00 0.00 35.03 32.98 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 -0.72 0.34 0.36 5.58 1.51 -1.26 -2.43 117.35 120.72 2rpp s TYR 75 Ca 0.12 -0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 55.81 2rpp s TYR 75 Cb 0.10 -0.22 -0.09 0.00 -0.11 0.00 0.00 41.96 41.64 2rpp s TYR 75 CO 0.01 -0.05 0.80 -1.17 -1.11 0.00 0.00 175.55 174.04 2rpp s LEU 76 N -0.58 4.01 -0.54 -1.29 2.96 -1.18 -4.60 118.68 117.46 2rpp s LEU 76 Ca -0.04 1.40 -0.11 0.00 -0.22 0.00 0.00 54.13 55.16 2rpp s LEU 76 Cb -0.04 -4.22 0.14 0.00 0.50 0.00 0.00 46.19 42.56 2rpp s LEU 76 CO -0.00 -0.27 0.44 -1.00 -1.32 0.00 0.00 176.35 174.20 2rpp s HIS 77 N -2.07 3.42 0.55 5.38 3.76 -1.26 -0.35 115.29 124.71 2rpp s HIS 77 Ca 0.56 -1.80 -0.19 0.00 -0.15 0.00 0.00 55.06 53.49 2rpp s HIS 77 Cb -0.10 -3.59 -0.05 0.00 1.11 0.00 0.00 32.58 29.95 2rpp s HIS 77 CO 0.17 -0.99 1.13 -1.25 -0.85 0.00 0.00 174.74 172.95 2rpp s PRO 78 N 1.19 3.31 1.07 8.40 0.04 -1.26 -5.03 135.00 142.72 2rpp s PRO 78 Ca 0.07 1.59 -0.14 0.00 0.04 0.00 0.00 61.00 62.55 2rpp s PRO 78 Cb -0.25 -2.00 0.22 0.00 0.04 0.00 0.00 34.50 32.51 2rpp s PRO 78 CO -0.01 -0.88 1.10 -1.25 0.04 0.00 0.00 177.00 176.00 2rpp s PRO 79 N -3.37 -0.15 0.03 0.56 0.04 -1.26 -4.69 135.00 126.15 2rpp s PRO 79 Ca 0.72 0.32 -0.27 0.00 0.04 0.00 0.00 61.00 61.81 2rpp s PRO 79 Cb -0.23 -1.69 -0.17 0.00 0.04 0.00 0.00 34.50 32.45 2rpp s PRO 79 CO 0.28 -3.08 1.33 1.15 0.04 0.00 0.00 177.00 176.73 2rpp h THR 80 N -2.14 0.52 -0.02 1.26 2.02 -1.96 0.19 112.91 112.78 2rpp h THR 80 Ca -0.52 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.29 2rpp h THR 80 Cb 1.32 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2rpp h THR 80 CO 0.51 0.06 0.62 1.12 0.37 0.00 0.00 175.52 178.20 2rpp h HIS 81 N -0.83 0.00 0.00 3.16 2.07 -1.97 -1.72 115.15 115.87 2rpp h HIS 81 Ca -0.06 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.36 2rpp h HIS 81 Cb 0.56 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.52 2rpp h HIS 81 CO 0.00 0.00 -1.16 1.28 -3.07 0.00 0.00 177.93 174.98 2rpp n LEU 82 N -2.75 1.91 -0.39 6.12 4.77 -0.98 -4.37 117.00 121.31 2rpp n LEU 82 Ca -0.01 0.41 0.31 0.00 -0.03 0.00 0.00 56.01 56.70 2rpp n LEU 82 Cb 0.65 -0.80 0.51 0.00 -2.33 0.00 0.00 43.42 41.45 2rpp n LEU 82 CO 0.08 -0.14 0.92 0.29 -1.33 0.00 0.00 177.39 177.22 2rpp n LYS 83 N -4.46 -0.02 0.09 3.23 5.02 0.62 0.72 118.16 123.37 2rpp n LYS 83 Ca -0.21 0.83 -0.14 0.00 -2.02 0.00 0.00 58.31 56.78 2rpp n LYS 83 Cb 0.53 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.19 -1.28 -0.18 2.02 -1.69 0.18 112.91 112.15 2rpp h THR 84 Ca 0.63 0.00 0.38 0.00 0.77 0.00 0.00 66.41 68.19 2rpp h THR 84 Cb 2.22 0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 68.73 2rpp h THR 84 CO -0.21 0.00 0.87 0.06 0.37 0.00 0.00 175.52 176.61 2rpp h GLN 85 N -0.60 0.14 0.15 6.66 3.07 0.05 0.34 115.11 124.92 2rpp h GLN 85 Ca 0.03 -0.01 -0.21 0.00 0.09 0.00 0.00 58.65 58.56 2rpp h GLN 85 Cb 0.65 -0.03 0.02 0.00 0.08 0.00 0.00 27.48 28.20 2rpp h GLN 85 CO -0.26 0.09 -0.94 -0.07 0.09 0.00 0.00 178.83 177.74 2rpp h LEU 86 N 0.14 0.49 -0.01 0.06 3.38 -1.16 -3.35 115.31 114.87 2rpp h LEU 86 Ca 0.69 -0.94 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2rpp h LEU 86 Cb 2.32 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.91 2rpp h LEU 86 CO -0.21 1.45 0.01 -0.33 0.09 0.00 0.00 178.44 179.44 2rpp h GLU 87 N -0.32 0.01 -0.84 1.13 4.39 0.23 -3.14 114.58 116.04 2rpp h GLU 87 Ca -0.17 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.60 2rpp h GLU 87 Cb 1.70 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.25 2rpp h GLU 87 CO 0.15 0.05 -0.50 -0.89 -1.16 0.00 0.00 179.01 176.67 2rpp n ILE 88 N -5.06 -0.57 -3.49 3.13 5.41 0.85 -4.84 119.36 114.79 2rpp n ILE 88 Ca -0.07 2.18 -0.20 0.00 1.00 0.00 0.00 62.75 65.66 2rpp n ILE 88 Cb 0.05 -2.71 0.06 0.00 -0.71 0.00 0.00 39.64 36.33 2rpp n ILE 88 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2rpp n ASN 89 N -4.95 -3.80 -3.96 4.38 5.15 -1.19 -5.01 115.26 105.88 2rpp n ASN 89 Ca 0.02 -0.77 -0.22 0.00 -0.60 0.00 0.00 54.58 53.01 2rpp n ASN 89 Cb 0.22 -4.58 -0.16 0.00 -0.53 0.00 0.00 39.78 34.72 2rpp n ASN 89 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2rpp s SER 90 N -3.91 1.35 -1.18 1.20 0.01 -1.26 -4.87 113.70 105.04 2rpp s SER 90 Ca 0.22 -0.21 -0.28 0.00 1.31 0.00 0.00 55.95 56.99 2rpp s SER 90 Cb -0.05 -0.64 0.02 0.00 0.21 0.00 0.00 66.02 65.57 2rpp s SER 90 CO 0.78 -0.01 0.73 0.61 0.41 0.00 0.00 173.24 175.76 2rpp n GLY 91 N 3.92 -0.90 0.06 3.44 0.00 -1.26 -4.90 105.19 105.55 2rpp n GLY 91 Ca -0.24 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2rpp n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpp h PRO 92 N -2.31 -0.03 -4.00 1.61 0.13 -2.01 -3.41 132.00 121.98 2rpp h PRO 92 Ca -0.69 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 63.83 2rpp h PRO 92 Cb 1.39 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 32.12 2rpp h PRO 92 CO 0.50 0.45 -0.75 0.45 -0.23 0.00 0.00 178.00 178.43 2rpp s SER 93 N -5.66 4.26 -0.65 1.44 0.15 -1.26 -5.04 113.70 106.94 2rpp s SER 93 Ca -0.16 -1.77 0.05 0.00 0.70 0.00 0.00 55.95 54.77 2rpp s SER 93 Cb 0.02 -1.15 0.17 0.00 -1.71 0.00 0.00 66.02 63.35 2rpp s SER 93 CO 0.66 -0.39 0.46 -0.44 1.20 0.00 0.00 173.24 174.73 2rpp s SER 94 N 1.36 4.24 0.00 5.45 0.01 -1.26 -5.25 113.70 118.24 2rpp s SER 94 Ca 0.09 -3.69 0.00 0.00 1.31 0.00 0.00 55.95 53.66 2rpp s SER 94 Cb -0.18 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2rpp s SER 94 CO -0.18 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 173.98