#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 0.60 -6.16 1.61 0.87 -2.12 -3.46 113.55 104.90 2rpp h SER 8 Ca 0.00 -0.01 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 2rpp h SER 8 Cb 0.00 -0.14 0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2rpp h SER 8 CO 0.00 0.43 -0.76 -1.20 -0.53 0.00 0.00 176.83 174.77 2rpp n SER 9 N -4.73 -4.39 -4.59 6.23 7.64 -1.26 -4.83 113.62 107.70 2rpp n SER 9 Ca 0.04 -0.74 -0.54 0.00 1.01 0.00 0.00 58.87 58.65 2rpp n SER 9 Cb 0.05 -4.17 -0.06 0.00 -1.01 0.00 0.00 64.21 59.01 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 -1.72 0.41 3.56 0.23 0.00 -1.26 -4.79 105.19 101.63 2rpp n GLY 10 Ca -0.03 0.73 -0.39 0.00 0.00 0.00 0.00 46.02 46.33 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 0.73 5.15 -0.05 1.61 1.04 -1.26 -4.93 113.70 115.99 2rpp s SER 11 Ca 0.87 0.89 -0.01 0.00 0.48 0.00 0.00 55.95 58.18 2rpp s SER 11 Cb -1.01 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 62.62 2rpp s SER 11 CO 0.50 -2.36 0.01 -0.44 0.98 0.00 0.00 173.24 171.93 2rpp s SER 12 N 8.97 1.10 0.00 7.02 0.01 -1.26 -5.03 113.70 124.51 2rpp s SER 12 Ca 0.82 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2rpp s SER 12 Cb -0.18 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2rpp s SER 12 CO 0.26 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2rpp n GLY 13 N 4.79 0.80 3.57 3.44 0.00 -1.26 -5.02 105.19 111.51 2rpp n GLY 13 Ca -0.13 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 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 2.52 0.27 1.61 0.04 -1.26 -4.95 135.00 133.23 2rpp s PRO 14 Ca 0.00 -0.77 -0.29 0.00 0.04 0.00 0.00 61.00 59.97 2rpp s PRO 14 Cb 0.00 -5.16 -0.09 0.00 0.04 0.00 0.00 34.50 29.28 2rpp s PRO 14 CO 0.00 -3.71 1.19 0.14 0.04 0.00 0.00 177.00 174.66 2rpp s VAL 15 N 10.60 3.28 -0.93 -0.36 -7.23 -1.26 -4.98 120.40 119.52 2rpp s VAL 15 Ca 0.69 1.21 -0.13 0.00 -1.81 0.00 0.00 61.98 61.94 2rpp s VAL 15 Cb -0.03 -3.77 0.22 0.00 0.56 0.00 0.00 36.38 33.35 2rpp s VAL 15 CO 0.07 0.26 0.94 -0.60 -0.31 0.00 0.00 175.10 175.46 2rpp s ARG 16 N -1.18 3.79 0.16 4.82 6.06 -1.26 -5.03 118.95 126.31 2rpp s ARG 16 Ca 0.48 -2.58 -0.32 0.00 -2.50 0.00 0.00 55.73 50.81 2rpp s ARG 16 Cb -0.35 -4.55 -0.11 0.00 0.06 0.00 0.00 34.95 30.00 2rpp s ARG 16 CO 0.43 -1.36 1.69 -0.51 -2.50 0.00 0.00 175.30 173.04 2rpp s ASP 17 N 2.15 6.48 -0.40 -2.12 1.11 -1.26 -4.92 116.67 117.70 2rpp s ASP 17 Ca 0.24 2.73 0.08 0.00 0.18 0.00 0.00 52.55 55.78 2rpp s ASP 17 Cb -0.09 -2.59 0.43 0.00 1.07 0.00 0.00 42.92 41.75 2rpp s ASP 17 CO -0.08 -0.92 1.09 0.41 1.18 0.00 0.00 175.17 176.85 2rpp n THR 18 N 4.20 2.15 -0.01 -1.27 -1.04 -1.26 -4.77 114.28 112.27 2rpp n THR 18 Ca 0.16 -4.52 -0.20 0.00 -2.04 0.00 0.00 64.05 57.45 2rpp n THR 18 Cb 0.37 -0.90 -0.14 0.00 -1.82 0.00 0.00 70.33 67.85 2rpp n THR 18 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2rpp n LYS 19 N -0.44 0.73 -0.24 -2.82 4.81 -1.26 -4.12 118.16 114.81 2rpp n LYS 19 Ca 0.34 0.25 0.10 0.00 -0.87 0.00 0.00 58.31 58.13 2rpp n LYS 19 Cb 0.72 -1.69 0.26 0.00 0.02 0.00 0.00 35.03 34.34 2rpp n LYS 19 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 2rpp n TRP 20 N -3.40 0.64 -1.80 5.64 4.27 -1.26 -4.13 117.44 117.39 2rpp n TRP 20 Ca -0.32 -0.32 -0.17 0.00 -3.89 0.00 0.00 57.50 52.80 2rpp n TRP 20 Cb 1.04 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 31.08 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 1.14 4.69 -4.45 5.67 4.77 -1.26 -4.64 117.00 122.93 2rpp n LEU 21 Ca 0.19 -4.42 -0.22 0.00 -0.03 0.00 0.00 56.01 51.52 2rpp n LEU 21 Cb 0.49 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 2rpp n LEU 21 CO 0.14 1.81 -0.41 0.42 -1.33 0.00 0.00 177.39 178.02 2rpp s THR 22 N -4.20 1.99 -0.12 -5.08 -4.23 -1.26 0.02 115.64 102.77 2rpp s THR 22 Ca 0.49 -2.22 -0.20 0.00 -1.18 0.00 0.00 61.69 58.58 2rpp s THR 22 Cb 0.41 -2.39 0.05 0.00 1.34 0.00 0.00 72.50 71.91 2rpp s THR 22 CO 0.01 -0.35 0.50 -0.76 -0.54 0.00 0.00 174.62 173.47 2rpp s LEU 23 N -3.47 0.10 -0.35 4.79 1.43 -0.18 -4.84 118.68 116.16 2rpp s LEU 23 Ca 0.29 0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 53.84 2rpp s LEU 23 Cb 0.01 1.79 0.00 0.00 0.03 0.00 0.00 46.19 48.02 2rpp s LEU 23 CO 0.13 -0.33 1.40 -1.61 0.23 0.00 0.00 176.35 176.17 2rpp s GLU 24 N -0.40 3.72 0.19 1.70 2.02 -1.26 -1.69 118.70 122.99 2rpp s GLU 24 Ca -0.05 1.14 -0.31 0.00 0.02 0.00 0.00 54.97 55.77 2rpp s GLU 24 Cb -0.03 -3.97 -0.10 0.00 0.10 0.00 0.00 34.13 30.12 2rpp s GLU 24 CO 0.03 -1.37 1.52 0.08 0.02 0.00 0.00 175.26 175.54 2rpp s VAL 25 N 5.03 2.64 -0.53 2.63 1.01 -1.26 -3.83 120.40 126.08 2rpp s VAL 25 Ca 0.61 0.48 -0.31 0.00 0.00 0.00 0.00 61.98 62.76 2rpp s VAL 25 Cb -0.16 -3.31 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 2rpp s VAL 25 CO 0.29 0.05 2.38 0.00 0.00 0.00 0.00 175.10 177.82 2rpp n ARG 27 N 8.58 -0.30 0.15 0.00 1.85 -1.26 -0.38 116.66 125.29 2rpp n ARG 27 Ca 0.45 1.13 -0.17 0.00 -1.00 0.00 0.00 57.85 58.26 2rpp n ARG 27 Cb 0.31 -1.66 -0.10 0.00 -1.05 0.00 0.00 32.46 29.96 2rpp n ARG 27 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2rpp h GLN 28 N 0.00 -0.78 -0.77 2.89 1.08 -1.91 -2.55 115.11 113.08 2rpp h GLN 28 Ca 0.14 0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.50 2rpp h GLN 28 Cb 0.33 0.18 -0.12 0.00 -0.05 0.00 0.00 27.48 27.82 2rpp h GLN 28 CO -0.71 -0.52 -0.35 0.34 -0.95 0.00 0.00 178.83 176.65 2rpp n PHE 29 N -5.50 -0.08 -0.29 2.96 7.35 0.49 0.11 117.46 122.49 2rpp n PHE 29 Ca -0.09 0.95 0.05 0.00 -0.76 0.00 0.00 57.45 57.60 2rpp n PHE 29 Cb 0.42 -0.72 0.14 0.00 0.35 0.00 0.00 39.48 39.67 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 0.02 0.00 -4.13 1.08 -0.98 0.61 115.11 111.71 2rpp h GLN 30 Ca 0.23 -0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2rpp h GLN 30 Cb 0.42 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 2rpp h GLN 30 CO -0.75 0.01 -0.54 0.00 -0.95 0.00 0.00 178.83 176.60 2rpp h ARG 31 N 0.02 0.00 0.00 1.46 3.08 0.83 -3.47 114.38 116.30 2rpp h ARG 31 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 2rpp h ARG 31 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2rpp h ARG 31 CO -0.82 0.54 0.00 0.41 -1.07 0.00 0.00 179.97 179.03 2rpp n GLY 32 N 0.96 1.63 1.41 0.04 0.00 0.21 -5.00 105.19 104.44 2rpp n GLY 32 Ca 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.63 2.64 -4.05 2.61 -2.24 -1.09 -4.94 114.28 105.59 2rpp n THR 33 Ca 0.00 -3.08 -0.33 0.00 -2.27 0.00 0.00 64.05 58.38 2rpp n THR 33 Cb 0.09 -0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 67.63 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 4.48 5.82 -4.41 0.00 7.64 -1.26 -4.91 113.62 120.99 2rpp n SER 35 Ca -0.14 -3.65 -0.29 0.00 1.01 0.00 0.00 58.87 55.80 2rpp n SER 35 Cb 0.43 -0.91 -0.13 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 -3.44 1.50 0.60 1.43 0.52 -1.26 -5.10 118.95 113.19 2rpp s ARG 36 Ca 0.59 -1.30 -0.08 0.00 -0.52 0.00 0.00 55.73 54.41 2rpp s ARG 36 Cb 0.48 -1.95 0.13 0.00 0.52 0.00 0.00 34.95 34.13 2rpp s ARG 36 CO 0.04 0.46 0.81 0.45 0.02 0.00 0.00 175.30 177.09 2rpp n SER 37 N 0.95 0.24 0.08 0.23 2.88 -1.26 -4.74 113.62 112.00 2rpp n SER 37 Ca -0.17 -1.40 -0.09 0.00 -1.33 0.00 0.00 58.87 55.87 2rpp n SER 37 Cb 0.53 -0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 63.34 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 -0.97 0.23 1.28 -3.46 3.32 -1.91 0.48 116.42 115.40 2rpp h ASP 38 Ca -0.26 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2rpp h ASP 38 Cb 0.77 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2rpp h ASP 38 CO 0.20 1.06 -0.12 1.21 -1.72 0.00 0.00 179.24 179.87 2rpp n GLU 39 N -3.58 0.22 -0.11 3.56 0.00 -1.26 -4.15 120.64 115.32 2rpp n GLU 39 Ca -0.04 0.16 -0.18 0.00 0.00 0.00 0.00 57.16 57.10 2rpp n GLU 39 Cb 0.86 -1.73 -0.06 0.00 0.00 0.00 0.00 31.44 30.51 2rpp n GLU 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2rpp n GLU 40 N -2.11 0.54 -2.08 5.31 -0.58 -1.19 -4.96 120.64 115.57 2rpp n GLU 40 Ca 0.05 0.23 -0.41 0.00 -0.42 0.00 0.00 57.16 56.61 2rpp n GLU 40 Cb 0.42 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 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 2.45 1.28 -4.19 0.00 2.85 -1.26 -4.77 118.16 114.51 2rpp n LYS 42 Ca 0.07 -0.64 -0.12 0.00 -1.05 0.00 0.00 58.31 56.57 2rpp n LYS 42 Cb 0.41 -1.25 -0.10 0.00 -0.65 0.00 0.00 35.03 33.44 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 -0.71 1.10 -0.17 5.58 0.40 -1.26 -5.07 117.98 117.84 2rpp s PHE 43 Ca 0.12 -1.31 -0.09 0.00 -0.60 0.00 0.00 56.93 55.06 2rpp s PHE 43 Cb 0.10 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 43.02 2rpp s PHE 43 CO 0.02 -0.57 0.14 0.00 0.70 0.00 0.00 175.22 175.51 2rpp s ALA 44 N -4.08 3.77 -0.49 5.36 0.00 -1.25 -4.89 121.76 120.18 2rpp s ALA 44 Ca 0.34 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.66 2rpp s ALA 44 Cb 0.07 -2.09 0.13 0.00 0.00 0.00 0.00 23.12 21.23 2rpp s ALA 44 CO 0.09 0.35 0.24 -1.01 0.00 0.00 0.00 175.76 175.43 2rpp s HIS 45 N -0.23 3.36 0.11 0.00 0.09 -1.26 -2.21 115.29 115.15 2rpp s HIS 45 Ca 0.11 -3.03 -0.31 0.00 -0.00 0.00 0.00 55.06 51.83 2rpp s HIS 45 Cb -0.11 -2.93 -0.08 0.00 -0.00 0.00 0.00 32.58 29.46 2rpp s HIS 45 CO 0.01 -0.81 1.36 -1.25 -0.00 0.00 0.00 174.74 174.04 2rpp s PRO 46 N 0.07 4.34 1.00 8.40 0.04 -1.26 -4.99 135.00 142.60 2rpp s PRO 46 Ca 0.15 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 2rpp s PRO 46 Cb -0.23 -3.26 0.19 0.00 0.04 0.00 0.00 34.50 31.23 2rpp s PRO 46 CO -0.02 -0.41 1.09 -1.25 0.04 0.00 0.00 177.00 176.45 2rpp s PRO 47 N 1.10 0.45 0.25 0.56 0.04 -1.26 -4.91 135.00 131.22 2rpp s PRO 47 Ca 0.64 0.53 -0.06 0.00 0.04 0.00 0.00 61.00 62.15 2rpp s PRO 47 Cb -0.36 -1.74 0.27 0.00 0.04 0.00 0.00 34.50 32.71 2rpp s PRO 47 CO 0.30 -2.72 1.91 -0.22 0.04 0.00 0.00 177.00 176.31 2rpp h LYS 48 N -1.89 1.22 -0.65 4.56 1.63 -2.01 -2.40 116.57 117.04 2rpp h LYS 48 Ca -0.54 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.17 2rpp h LYS 48 Cb 1.33 -0.28 -0.03 0.00 -0.60 0.00 0.00 32.23 32.65 2rpp h LYS 48 CO 0.57 0.81 0.34 0.77 -3.45 0.00 0.00 179.45 178.50 2rpp h SER 49 N 1.26 0.83 -3.58 4.20 0.02 -1.95 -3.42 113.55 110.91 2rpp h SER 49 Ca 0.36 -0.11 -0.52 0.00 -0.84 0.00 0.00 61.79 60.69 2rpp h SER 49 Cb -0.08 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 62.26 2rpp h SER 49 CO -0.10 0.70 0.53 0.00 -1.14 0.00 0.00 176.83 176.83 2rpp s GLN 51 N -0.57 4.44 -0.18 0.00 0.74 -1.18 -4.62 119.66 118.29 2rpp s GLN 51 Ca 0.50 2.00 -0.03 0.00 0.05 0.00 0.00 55.36 57.88 2rpp s GLN 51 Cb -0.32 -3.19 -0.02 0.00 1.10 0.00 0.00 33.01 30.58 2rpp s GLN 51 CO 0.38 -0.16 -0.06 0.08 -0.55 0.00 0.00 175.29 174.98 2rpp s VAL 52 N -0.19 3.47 0.54 1.34 1.01 -1.26 -4.42 120.40 120.89 2rpp s VAL 52 Ca 0.54 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 2rpp s VAL 52 Cb -0.35 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2rpp s VAL 52 CO 0.40 0.47 0.88 -0.70 0.00 0.00 0.00 175.10 176.14 2rpp s GLU 53 N 0.82 3.46 -0.39 2.72 2.56 0.32 -4.94 118.70 123.26 2rpp s GLU 53 Ca -0.02 0.33 -0.32 0.00 0.00 0.00 0.00 54.97 54.96 2rpp s GLU 53 Cb -0.15 -2.27 -0.10 0.00 2.00 0.00 0.00 34.13 33.61 2rpp s GLU 53 CO 0.01 -0.39 2.26 0.09 -0.56 0.00 0.00 175.26 176.68 2rpp n ASN 54 N -2.46 2.25 -0.98 -1.70 3.02 -1.26 -0.58 115.26 113.54 2rpp n ASN 54 Ca 0.03 0.23 -0.12 0.00 -0.03 0.00 0.00 54.58 54.68 2rpp n ASN 54 Cb 0.55 -1.34 -0.05 0.00 -0.61 0.00 0.00 39.78 38.33 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 6.33 1.16 3.69 7.41 0.00 -1.26 -4.89 105.19 117.62 2rpp n GLY 55 Ca 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.97 1.70 -0.06 1.61 3.52 0.25 -4.23 118.95 118.78 2rpp s ARG 56 Ca 0.00 -1.22 -0.11 0.00 -0.13 0.00 0.00 55.73 54.28 2rpp s ARG 56 Cb 0.00 0.53 0.02 0.00 -1.56 0.00 0.00 34.95 33.94 2rpp s ARG 56 CO 0.00 -0.74 0.26 0.54 -0.81 0.00 0.00 175.30 174.55 2rpp s VAL 57 N -3.79 0.03 -0.19 7.11 0.11 -0.68 0.12 120.40 123.11 2rpp s VAL 57 Ca 0.19 -0.28 -0.17 0.00 -2.93 0.00 0.00 61.98 58.79 2rpp s VAL 57 Cb -0.03 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2rpp s VAL 57 CO 0.09 -0.15 0.45 -0.63 -3.33 0.00 0.00 175.10 171.53 2rpp s ILE 58 N -0.60 5.16 0.46 7.04 1.01 -1.26 -1.01 121.20 132.01 2rpp s ILE 58 Ca -0.07 0.83 -0.18 0.00 0.00 0.00 0.00 60.65 61.23 2rpp s ILE 58 Cb -0.04 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 2rpp s ILE 58 CO 0.02 0.23 0.94 0.00 0.00 0.00 0.00 174.94 176.13 2rpp s ALA 59 N 1.33 3.09 0.50 9.38 0.00 0.10 -2.94 121.76 133.23 2rpp s ALA 59 Ca 0.22 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 2rpp s ALA 59 Cb -0.15 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 2rpp s ALA 59 CO 0.09 -0.03 1.00 0.00 0.00 0.00 0.00 175.76 176.82 2rpp h PHE 61 N 1.22 0.00 -0.06 0.00 3.57 -1.96 -3.35 116.94 116.36 2rpp h PHE 61 Ca -0.48 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.03 2rpp h PHE 61 Cb 1.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 2rpp h PHE 61 CO 0.61 0.57 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.81 2rpp h ASP 62 N -1.00 -0.04 -1.19 0.41 5.19 -1.95 -2.39 116.42 115.45 2rpp h ASP 62 Ca -0.04 0.01 0.45 0.00 -0.62 0.00 0.00 57.03 56.83 2rpp h ASP 62 Cb 0.61 0.03 -0.16 0.00 0.18 0.00 0.00 39.33 39.99 2rpp h ASP 62 CO -0.03 -0.01 0.71 -1.54 -3.12 0.00 0.00 179.24 175.26 2rpp n SER 63 N -5.11 0.28 -0.25 6.45 3.41 -1.26 0.11 113.62 117.25 2rpp n SER 63 Ca -0.06 1.53 0.05 0.00 -0.26 0.00 0.00 58.87 60.13 2rpp n SER 63 Cb 0.05 -0.75 0.18 0.00 -0.26 0.00 0.00 64.21 63.44 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 0.21 -1.48 1.04 3.38 -1.56 0.28 115.31 117.17 2rpp h LEU 64 Ca 0.87 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.90 2rpp h LEU 64 Cb 2.55 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 43.41 2rpp h LEU 64 CO -0.62 0.06 -0.26 0.11 0.09 0.00 0.00 178.44 177.82 2rpp h LYS 65 N 0.39 0.00 0.00 1.13 6.56 0.60 -3.46 116.57 121.79 2rpp h LYS 65 Ca 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.00 2rpp h LYS 65 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 2rpp h LYS 65 CO -0.43 0.26 0.00 0.41 -2.06 0.00 0.00 179.45 177.64 2rpp n GLY 66 N -0.62 1.94 2.83 3.86 0.00 0.98 -5.06 105.19 109.12 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 1.11 0.06 1.61 0.52 -1.26 -4.97 118.95 115.72 2rpp s ARG 67 Ca 0.00 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 2rpp s ARG 67 Cb 0.00 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 2rpp s ARG 67 CO 0.00 -0.61 0.21 0.00 0.02 0.00 0.00 175.30 174.92 2rpp n SER 69 N 0.28 1.48 -3.55 0.00 7.64 -1.26 -4.99 113.62 113.22 2rpp n SER 69 Ca -0.05 0.25 -0.50 0.00 1.01 0.00 0.00 58.87 59.58 2rpp n SER 69 Cb 0.51 -0.59 -0.07 0.00 -1.01 0.00 0.00 64.21 63.05 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 -3.97 0.00 0.27 1.43 1.74 -1.26 -4.86 116.66 110.01 2rpp n ARG 70 Ca -0.29 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.68 2rpp n ARG 70 Cb 0.64 -1.13 -0.05 0.00 -1.02 0.00 0.00 32.46 30.89 2rpp n ARG 70 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2rpp h GLU 71 N 3.45 -0.68 -1.22 5.56 4.57 -2.06 -3.22 114.58 120.98 2rpp h GLU 71 Ca -0.34 0.05 -0.50 0.00 -1.18 0.00 0.00 59.36 57.38 2rpp h GLU 71 Cb 1.05 0.15 -0.22 0.00 -0.16 0.00 0.00 28.75 29.57 2rpp h GLU 71 CO 0.69 -0.45 0.65 0.27 -1.18 0.00 0.00 179.01 178.98 2rpp n ASN 72 N -4.33 6.79 -4.23 1.04 0.23 -1.26 -4.99 115.26 108.51 2rpp n ASN 72 Ca -0.09 -3.43 -0.60 0.00 -0.53 0.00 0.00 54.58 49.93 2rpp n ASN 72 Cb 0.28 -0.99 -0.10 0.00 -2.08 0.00 0.00 39.78 36.88 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rpp n LYS 74 N 5.15 1.52 -3.95 0.00 2.85 -1.26 -4.51 118.16 117.97 2rpp n LYS 74 Ca 0.39 -1.10 -0.13 0.00 -1.05 0.00 0.00 58.31 56.42 2rpp n LYS 74 Cb -0.05 -1.43 -0.14 0.00 -0.65 0.00 0.00 35.03 32.76 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 -1.25 0.14 0.55 5.58 2.02 -1.26 -3.11 117.35 120.02 2rpp s TYR 75 Ca 0.21 -0.02 -0.17 0.00 -0.37 0.00 0.00 57.07 56.73 2rpp s TYR 75 Cb 0.17 -0.11 -0.06 0.00 -0.40 0.00 0.00 41.96 41.57 2rpp s TYR 75 CO 0.01 -0.01 1.03 -1.17 -1.57 0.00 0.00 175.55 173.84 2rpp s LEU 76 N 0.05 3.59 -0.47 -1.29 2.96 -1.15 -4.56 118.68 117.80 2rpp s LEU 76 Ca -0.00 1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 55.58 2rpp s LEU 76 Cb -0.02 -4.53 0.12 0.00 0.50 0.00 0.00 46.19 42.27 2rpp s LEU 76 CO -0.00 -0.89 0.31 -1.00 -1.32 0.00 0.00 176.35 173.45 2rpp s HIS 77 N -2.46 3.50 0.51 5.38 3.76 -1.26 -0.77 115.29 123.95 2rpp s HIS 77 Ca 0.62 -2.18 -0.21 0.00 -0.15 0.00 0.00 55.06 53.14 2rpp s HIS 77 Cb -0.14 -3.37 -0.06 0.00 1.11 0.00 0.00 32.58 30.12 2rpp s HIS 77 CO 0.33 -0.97 1.14 -1.25 -0.85 0.00 0.00 174.74 173.14 2rpp s PRO 78 N 1.08 3.51 1.05 8.40 0.04 -1.26 -5.03 135.00 142.79 2rpp s PRO 78 Ca 0.08 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 2rpp s PRO 78 Cb -0.24 -2.16 0.21 0.00 0.04 0.00 0.00 34.50 32.35 2rpp s PRO 78 CO -0.03 -0.73 1.10 -1.25 0.04 0.00 0.00 177.00 176.13 2rpp s PRO 79 N -3.05 0.02 0.04 0.56 0.04 -1.26 -4.69 135.00 126.65 2rpp s PRO 79 Ca 0.69 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.82 2rpp s PRO 79 Cb -0.26 -1.70 -0.16 0.00 0.04 0.00 0.00 34.50 32.42 2rpp s PRO 79 CO 0.30 -2.98 1.42 1.15 0.04 0.00 0.00 177.00 176.93 2rpp h THR 80 N -2.07 0.00 -0.98 1.26 2.02 -1.96 0.44 112.91 111.62 2rpp h THR 80 Ca -0.53 -0.01 0.28 0.00 0.77 0.00 0.00 66.41 66.92 2rpp h THR 80 Cb 1.33 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 2rpp h THR 80 CO 0.53 0.00 1.10 1.12 0.37 0.00 0.00 175.52 178.64 2rpp h HIS 81 N -1.04 0.00 0.08 3.16 2.07 -1.98 0.90 115.15 118.33 2rpp h HIS 81 Ca -0.11 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.05 2rpp h HIS 81 Cb 0.79 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.74 2rpp h HIS 81 CO 0.05 0.00 -2.13 1.28 -3.07 0.00 0.00 177.93 174.07 2rpp n LEU 82 N -3.37 2.50 -0.33 6.12 4.77 -0.88 -4.30 117.00 121.50 2rpp n LEU 82 Ca 0.22 0.12 0.19 0.00 -0.03 0.00 0.00 56.01 56.51 2rpp n LEU 82 Cb 1.40 -0.90 0.37 0.00 -2.33 0.00 0.00 43.42 41.96 2rpp n LEU 82 CO 0.25 0.83 0.89 0.11 -1.33 0.00 0.00 177.39 178.14 2rpp h LYS 83 N 0.04 0.03 -0.13 3.23 1.57 0.55 0.28 116.57 122.14 2rpp h LYS 83 Ca -0.46 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.36 2rpp h LYS 83 Cb 2.00 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 34.25 2rpp h LYS 83 CO 0.04 0.02 -0.25 1.15 -0.57 0.00 0.00 179.45 179.84 2rpp h THR 84 N 0.03 0.40 -0.83 -0.16 2.02 -1.71 -2.09 112.91 110.57 2rpp h THR 84 Ca 0.66 0.00 0.17 0.00 0.77 0.00 0.00 66.41 68.01 2rpp h THR 84 Cb 1.49 0.40 -0.16 0.00 -1.74 0.00 0.00 68.15 68.14 2rpp h THR 84 CO -0.85 0.00 -0.21 1.56 0.37 0.00 0.00 175.52 176.39 2rpp h GLN 85 N -0.32 0.00 -0.84 6.66 7.50 -0.66 0.50 115.11 127.95 2rpp h GLN 85 Ca 0.10 -0.00 0.17 0.00 0.50 0.00 0.00 58.65 59.42 2rpp h GLN 85 Cb 0.47 -0.00 -0.11 0.00 0.05 0.00 0.00 27.48 27.89 2rpp h GLN 85 CO -0.32 0.00 0.38 -0.07 -1.50 0.00 0.00 178.83 177.33 2rpp h LEU 86 N 0.00 0.38 -0.19 1.46 3.38 -1.30 -1.09 115.31 117.95 2rpp h LEU 86 Ca 0.40 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.43 2rpp h LEU 86 Cb 0.61 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2rpp h LEU 86 CO -0.86 0.11 -0.13 -0.33 0.09 0.00 0.00 178.44 177.32 2rpp h GLU 87 N 0.49 0.43 -0.98 1.13 4.39 0.03 -3.12 114.58 116.94 2rpp h GLU 87 Ca 0.48 -0.20 0.32 0.00 0.34 0.00 0.00 59.36 60.30 2rpp h GLU 87 Cb 0.80 -0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.29 2rpp h GLU 87 CO -0.44 0.75 0.48 0.82 -1.16 0.00 0.00 179.01 179.46 2rpp h ILE 88 N 0.11 0.25 -0.09 3.13 2.04 0.21 0.19 117.51 123.35 2rpp h ILE 88 Ca 0.04 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 2rpp h ILE 88 Cb 0.64 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2rpp h ILE 88 CO 0.04 0.05 -0.09 0.59 0.00 0.00 0.00 178.15 178.73 2rpp n ASN 89 N -5.13 5.46 -0.09 1.72 3.02 -1.03 -3.86 115.26 115.35 2rpp n ASN 89 Ca 0.30 -2.53 -0.15 0.00 -0.03 0.00 0.00 54.58 52.17 2rpp n ASN 89 Cb 0.96 -1.23 -0.07 0.00 -0.61 0.00 0.00 39.78 38.82 2rpp n ASN 89 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2rpp n SER 90 N 1.74 2.15 0.00 6.41 3.41 0.66 -4.53 113.62 123.45 2rpp n SER 90 Ca 0.21 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2rpp n SER 90 Cb 0.66 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2rpp n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rpp n GLY 91 N 2.36 3.43 0.28 5.00 0.00 -1.25 -4.99 105.19 110.02 2rpp n GLY 91 Ca -0.33 -0.38 0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.00 -2.11 1.61 0.13 -1.97 -3.46 132.00 126.19 2rpp h PRO 92 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.31 2rpp h PRO 92 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 2rpp h PRO 92 CO 0.00 0.01 0.57 0.45 -0.23 0.00 0.00 178.00 178.80 2rpp s SER 93 N -5.70 -0.22 -0.07 1.44 0.15 -1.26 -5.17 113.70 102.86 2rpp s SER 93 Ca 0.01 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2rpp s SER 93 Cb 0.09 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 2rpp s SER 93 CO 0.54 -0.66 -0.06 -0.55 1.20 0.00 0.00 173.24 173.72 2rpp s SER 94 N -2.71 4.75 0.00 5.45 0.15 -1.26 -5.20 113.70 114.88 2rpp s SER 94 Ca 0.10 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2rpp s SER 94 Cb -0.00 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2rpp s SER 94 CO -0.03 0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.38