#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpc n SER 2 N 0.00 -0.89 -3.74 1.61 3.41 -1.26 -5.14 113.62 107.61 2rpc n SER 2 Ca 0.00 -1.40 -0.10 0.00 -0.26 0.00 0.00 58.87 57.11 2rpc n SER 2 Cb 0.00 1.43 -0.06 0.00 -0.26 0.00 0.00 64.21 65.32 2rpc n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rpc s SER 3 N -2.43 -0.06 0.00 4.04 1.04 -1.26 -5.17 113.70 109.85 2rpc s SER 3 Ca 0.14 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2rpc s SER 3 Cb -0.01 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2rpc s SER 3 CO 0.02 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2rpc n GLY 4 N -0.09 -1.91 3.64 7.32 0.00 -1.26 -5.10 105.19 107.78 2rpc n GLY 4 Ca -0.16 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 2rpc n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rpc s SER 5 N -1.58 -0.18 -0.92 1.61 0.15 -1.26 -5.10 113.70 106.42 2rpc s SER 5 Ca 0.00 -0.73 -0.08 0.00 0.70 0.00 0.00 55.95 55.85 2rpc s SER 5 Cb 0.00 0.62 0.23 0.00 -1.71 0.00 0.00 66.02 65.16 2rpc s SER 5 CO 0.00 -1.17 0.84 -0.44 1.20 0.00 0.00 173.24 173.68 2rpc s SER 6 N -2.95 6.54 0.00 5.45 0.01 -1.26 -4.94 113.70 116.55 2rpc s SER 6 Ca 0.16 -3.30 0.00 0.00 1.31 0.00 0.00 55.95 54.12 2rpc s SER 6 Cb -0.02 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2rpc s SER 6 CO 0.05 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2rpc n GLY 7 N 3.03 -0.60 3.58 3.44 0.00 -1.26 -5.14 105.19 108.24 2rpc n GLY 7 Ca 0.18 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2rpc n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rpc s GLN 8 N -1.59 2.51 0.19 1.61 0.00 -1.26 -5.10 119.66 116.02 2rpc s GLN 8 Ca 0.00 -0.74 -0.30 0.00 -0.00 0.00 0.00 55.36 54.32 2rpc s GLN 8 Cb 0.00 -2.47 -0.09 0.00 0.00 0.00 0.00 33.01 30.45 2rpc s GLN 8 CO 0.00 0.60 1.31 -1.25 0.00 0.00 0.00 175.29 175.95 2rpc s PRO 9 N -1.40 4.39 -0.28 9.60 0.04 -1.26 -5.02 135.00 141.07 2rpc s PRO 9 Ca 0.17 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.17 2rpc s PRO 9 Cb -0.11 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2rpc s PRO 9 CO 0.07 -0.26 0.10 0.42 0.04 0.00 0.00 177.00 177.37 2rpc s ILE 10 N 0.19 4.30 -0.23 0.56 1.01 -1.26 -5.08 121.20 120.69 2rpc s ILE 10 Ca 0.57 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 2rpc s ILE 10 Cb -0.36 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 2rpc s ILE 10 CO 0.37 0.18 0.13 -1.59 0.00 0.00 0.00 174.94 174.04 2rpc s LYS 11 N 1.58 4.00 0.15 2.79 -2.85 -1.26 -5.09 119.74 119.07 2rpc s LYS 11 Ca 0.05 -0.31 -0.19 0.00 -1.00 0.00 0.00 55.97 54.52 2rpc s LYS 11 Cb -0.16 -3.45 -0.07 0.00 -2.06 0.00 0.00 37.83 32.09 2rpc s LYS 11 CO 0.04 0.08 0.64 1.14 0.10 0.00 0.00 175.35 177.35 2rpc s GLN 12 N 0.97 4.20 0.01 1.78 -2.07 -1.25 -5.03 119.66 118.27 2rpc s GLN 12 Ca 0.06 0.77 -0.25 0.00 -1.82 0.00 0.00 55.36 54.13 2rpc s GLN 12 Cb -0.13 -3.04 -0.05 0.00 -1.09 0.00 0.00 33.01 28.70 2rpc s GLN 12 CO 0.03 0.51 0.75 -1.83 -1.32 0.00 0.00 175.29 173.43 2rpc s GLU 13 N -1.63 4.47 0.37 9.60 -1.05 -1.26 -4.24 118.70 124.96 2rpc s GLU 13 Ca 0.37 1.02 0.08 0.00 -0.15 0.00 0.00 54.97 56.28 2rpc s GLU 13 Cb -0.18 -3.39 -0.02 0.00 -0.44 0.00 0.00 34.13 30.10 2rpc s GLU 13 CO 0.21 0.21 0.36 -0.51 0.95 0.00 0.00 175.26 176.48 2rpc s LEU 14 N 0.21 3.56 -0.15 1.83 1.43 -0.33 -4.94 118.68 120.29 2rpc s LEU 14 Ca 0.39 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 2rpc s LEU 14 Cb -0.20 -2.23 0.05 0.00 0.03 0.00 0.00 46.19 43.83 2rpc s LEU 14 CO 0.22 -0.50 0.47 -0.44 0.23 0.00 0.00 176.35 176.33 2rpc s SER 15 N -4.09 -0.47 -0.37 2.29 0.01 -1.26 -3.50 113.70 106.30 2rpc s SER 15 Ca 0.45 0.84 0.01 0.00 1.31 0.00 0.00 55.95 58.56 2rpc s SER 15 Cb -0.05 0.86 0.11 0.00 0.21 0.00 0.00 66.02 67.15 2rpc s SER 15 CO 0.28 -0.23 0.15 0.00 0.41 0.00 0.00 173.24 173.84 2rpc s LYS 17 N 0.94 3.09 -0.22 0.00 -0.14 -1.26 -4.21 119.74 117.95 2rpc s LYS 17 Ca 0.13 -0.14 -0.06 0.00 -1.36 0.00 0.00 55.97 54.54 2rpc s LYS 17 Cb -0.21 -4.36 -0.03 0.00 -1.68 0.00 0.00 37.83 31.56 2rpc s LYS 17 CO -0.12 -2.31 0.03 -0.46 -0.76 0.00 0.00 175.35 171.73 2rpc s TRP 18 N 6.50 3.08 -0.32 3.18 -0.11 -1.26 -2.42 118.94 127.59 2rpc s TRP 18 Ca 0.44 -0.39 0.02 0.00 1.22 0.00 0.00 56.10 57.39 2rpc s TRP 18 Cb -0.08 -2.14 0.10 0.00 -1.50 0.00 0.00 33.47 29.84 2rpc s TRP 18 CO 0.13 -0.24 0.05 0.42 -4.62 0.00 0.00 176.95 172.69 2rpc s ILE 19 N 1.15 1.82 0.21 5.86 1.01 -0.29 -1.78 121.20 129.18 2rpc s ILE 19 Ca 0.03 -1.96 -0.30 0.00 0.00 0.00 0.00 60.65 58.43 2rpc s ILE 19 Cb -0.14 -2.31 -0.08 0.00 0.01 0.00 0.00 42.46 39.93 2rpc s ILE 19 CO 0.02 -0.56 1.18 -0.62 0.00 0.00 0.00 174.94 174.97 2rpc s ASP 20 N 1.15 7.10 0.19 3.58 2.15 -1.26 -4.63 116.67 124.96 2rpc s ASP 20 Ca 0.08 2.27 0.10 0.00 0.43 0.00 0.00 52.55 55.44 2rpc s ASP 20 Cb -0.19 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 39.76 2rpc s ASP 20 CO -0.13 -0.33 1.37 -0.33 -0.17 0.00 0.00 175.17 175.57 2rpc h GLU 21 N 4.84 0.00 -0.79 4.34 4.39 -1.99 -3.18 114.58 122.18 2rpc h GLU 21 Ca -0.45 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.17 2rpc h GLU 21 Cb 1.21 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 2rpc h GLU 21 CO 0.72 0.80 0.10 0.00 -1.16 0.00 0.00 179.01 179.47 2rpc n ALA 22 N -2.31 3.66 -2.19 3.43 0.00 -1.26 -4.93 120.51 116.91 2rpc n ALA 22 Ca 0.01 -1.38 -0.40 0.00 0.00 0.00 0.00 53.44 51.66 2rpc n ALA 22 Cb 0.84 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 2rpc n ALA 22 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2rpc s GLN 23 N -2.14 4.66 0.00 0.00 -2.07 -1.20 -4.94 119.66 113.97 2rpc s GLN 23 Ca 0.36 1.33 0.27 0.00 -1.82 0.00 0.00 55.36 55.50 2rpc s GLN 23 Cb 0.28 -3.35 0.92 0.00 -1.09 0.00 0.00 33.01 29.77 2rpc s GLN 23 CO 0.10 0.32 1.67 1.28 -1.32 0.00 0.00 175.29 177.33 2rpc n LEU 24 N 2.46 1.26 -4.71 2.60 4.77 -1.26 -4.88 117.00 117.24 2rpc n LEU 24 Ca -0.00 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 2rpc n LEU 24 Cb 0.49 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2rpc n LEU 24 CO 0.49 0.22 0.70 -0.94 -1.33 0.00 0.00 177.39 176.54 2rpc s SER 25 N -2.24 7.35 -0.02 -1.43 1.04 -1.26 -5.04 113.70 112.09 2rpc s SER 25 Ca 0.32 1.72 0.01 0.00 0.48 0.00 0.00 55.95 58.48 2rpc s SER 25 Cb 0.20 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.76 2rpc s SER 25 CO 0.42 -0.26 -0.03 -0.60 0.98 0.00 0.00 173.24 173.76 2rpc s ARG 26 N 0.87 0.47 0.93 4.02 6.06 -1.26 -3.46 118.95 126.58 2rpc s ARG 26 Ca 0.52 -0.05 -0.12 0.00 -2.50 0.00 0.00 55.73 53.58 2rpc s ARG 26 Cb -0.22 -0.54 0.15 0.00 0.06 0.00 0.00 34.95 34.40 2rpc s ARG 26 CO 0.28 -0.05 1.09 -1.25 -2.50 0.00 0.00 175.30 172.88 2rpc s PRO 27 N 0.63 1.00 0.20 5.12 0.04 -1.26 -5.07 135.00 135.66 2rpc s PRO 27 Ca -0.07 0.73 -0.32 0.00 0.04 0.00 0.00 61.00 61.38 2rpc s PRO 27 Cb -0.10 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.50 2rpc s PRO 27 CO -0.01 -2.39 1.26 1.63 0.04 0.00 0.00 177.00 177.53 2rpc n LYS 28 N -3.98 1.50 -4.20 4.56 4.76 -1.22 -4.99 118.16 114.60 2rpc n LYS 28 Ca 0.06 0.53 -0.23 0.00 -2.87 0.00 0.00 58.31 55.81 2rpc n LYS 28 Cb 0.56 -2.09 -0.07 0.00 -1.84 0.00 0.00 35.03 31.59 2rpc n LYS 28 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2rpc s LYS 29 N -0.39 2.33 0.08 1.97 1.02 -1.26 -5.14 119.74 118.35 2rpc s LYS 29 Ca 0.71 -1.51 0.09 0.00 0.02 0.00 0.00 55.97 55.28 2rpc s LYS 29 Cb -0.77 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 2rpc s LYS 29 CO 0.51 0.21 -0.23 -1.54 -0.92 0.00 0.00 175.35 173.38 2rpc s SER 30 N -3.77 3.49 -0.29 2.83 1.04 -1.26 -4.46 113.70 111.27 2rpc s SER 30 Ca 0.35 -0.60 -0.34 0.00 0.48 0.00 0.00 55.95 55.85 2rpc s SER 30 Cb -0.04 -0.39 -0.10 0.00 0.10 0.00 0.00 66.02 65.59 2rpc s SER 30 CO 0.21 0.22 2.15 0.00 0.98 0.00 0.00 173.24 176.80 2rpc s ASP 32 N 7.04 6.30 0.14 0.00 1.01 -1.26 -4.52 116.67 125.38 2rpc s ASP 32 Ca 1.06 -1.40 -0.12 0.00 0.71 0.00 0.00 52.55 52.80 2rpc s ASP 32 Cb -0.75 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 40.81 2rpc s ASP 32 CO 0.47 -1.25 0.32 -0.60 0.21 0.00 0.00 175.17 174.33 2rpc s ARG 33 N 3.28 1.10 0.01 8.23 6.06 -1.26 -5.13 118.95 131.24 2rpc s ARG 33 Ca 0.22 -0.98 -0.10 0.00 -2.50 0.00 0.00 55.73 52.37 2rpc s ARG 33 Cb -0.16 0.41 0.01 0.00 0.06 0.00 0.00 34.95 35.27 2rpc s ARG 33 CO 0.04 -0.41 0.21 0.95 -2.50 0.00 0.00 175.30 173.58 2rpc s THR 34 N -3.89 0.08 0.19 4.11 -4.23 -1.26 -4.47 115.64 106.17 2rpc s THR 34 Ca 0.10 -0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 2rpc s THR 34 Cb 0.03 -0.59 -0.02 0.00 1.34 0.00 0.00 72.50 73.25 2rpc s THR 34 CO -0.05 -0.36 0.27 -0.36 -0.54 0.00 0.00 174.62 173.57 2rpc s PHE 35 N -1.62 0.64 -0.08 3.99 0.08 -1.23 -4.95 117.98 114.82 2rpc s PHE 35 Ca -0.12 -0.97 0.08 0.00 0.12 0.00 0.00 56.93 56.04 2rpc s PHE 35 Cb -0.05 -0.18 -0.12 0.00 -0.57 0.00 0.00 43.02 42.10 2rpc s PHE 35 CO 0.01 -0.74 0.06 0.43 -0.10 0.00 0.00 175.22 174.88 2rpc n SER 36 N -0.26 2.75 -4.41 1.36 7.64 -1.26 -1.18 113.62 118.26 2rpc n SER 36 Ca -0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.55 2rpc n SER 36 Cb 0.64 0.85 -0.13 0.00 -1.01 0.00 0.00 64.21 64.55 2rpc n SER 36 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2rpc s THR 37 N -2.30 2.46 0.21 0.44 -4.23 -1.26 -3.93 115.64 107.02 2rpc s THR 37 Ca -0.04 -1.43 -0.08 0.00 -1.18 0.00 0.00 61.69 58.95 2rpc s THR 37 Cb 0.03 -2.04 0.15 0.00 1.34 0.00 0.00 72.50 71.99 2rpc s THR 37 CO 0.38 0.26 1.78 -0.03 -0.54 0.00 0.00 174.62 176.46 2rpc h MET 38 N 4.35 1.17 -0.98 3.99 4.05 -1.95 -2.63 114.93 122.93 2rpc h MET 38 Ca -0.48 -0.21 0.24 0.00 -0.28 0.00 0.00 59.70 58.97 2rpc h MET 38 Cb 1.16 -0.19 -0.13 0.00 -0.80 0.00 0.00 31.60 31.64 2rpc h MET 38 CO 0.44 0.94 0.55 0.45 0.23 0.00 0.00 176.91 179.52 2rpc h HIS 39 N 1.14 0.94 -0.05 1.39 3.86 -1.99 0.88 115.15 121.32 2rpc h HIS 39 Ca 0.26 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 2rpc h HIS 39 Cb 0.20 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 2rpc h HIS 39 CO 0.02 0.04 -0.07 0.93 0.86 0.00 0.00 177.93 179.71 2rpc h GLU 40 N 0.54 0.13 -0.09 2.45 4.39 -1.90 -2.41 114.58 117.68 2rpc h GLU 40 Ca 0.63 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 60.28 2rpc h GLU 40 Cb 1.20 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2rpc h GLU 40 CO -0.49 0.62 0.10 1.25 -1.16 0.00 0.00 179.01 179.33 2rpc h LEU 41 N -0.34 0.00 0.14 1.33 5.85 -0.95 -1.61 115.31 119.72 2rpc h LEU 41 Ca 0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2rpc h LEU 41 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2rpc h LEU 41 CO 0.02 0.00 -0.06 0.58 -0.34 0.00 0.00 178.44 178.63 2rpc h VAL 42 N 0.00 0.15 -0.58 1.05 2.07 -0.78 -0.91 116.25 117.25 2rpc h VAL 42 Ca 0.04 -0.96 0.17 0.00 0.82 0.00 0.00 66.70 66.78 2rpc h VAL 42 Cb 0.25 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2rpc h VAL 42 CO -0.00 0.05 0.45 0.74 0.02 0.00 0.00 177.57 178.83 2rpc h THR 43 N -1.04 0.60 0.00 2.57 2.02 -1.20 0.26 112.91 116.13 2rpc h THR 43 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2rpc h THR 43 Cb 0.22 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2rpc h THR 43 CO 0.03 0.00 -0.09 -0.74 0.37 0.00 0.00 175.52 175.09 2rpc h HIS 44 N 0.00 0.00 -0.09 3.16 -0.00 -1.38 -0.32 115.15 116.51 2rpc h HIS 44 Ca 0.28 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.67 2rpc h HIS 44 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.59 2rpc h HIS 44 CO 0.00 0.00 0.32 0.28 -0.00 0.00 0.00 177.93 178.53 2rpc h VAL 45 N -0.70 0.11 0.00 5.26 2.07 -0.93 2.25 116.25 124.32 2rpc h VAL 45 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2rpc h VAL 45 Cb 0.09 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2rpc h VAL 45 CO 0.00 0.00 -1.03 0.41 0.02 0.00 0.00 177.57 176.97 2rpc n THR 46 N -3.14 1.47 -0.10 2.57 -1.04 0.90 -2.11 114.28 112.84 2rpc n THR 46 Ca 0.00 0.07 -0.21 0.00 -2.04 0.00 0.00 64.05 61.88 2rpc n THR 46 Cb 0.40 -2.24 -0.12 0.00 -1.82 0.00 0.00 70.33 66.55 2rpc n THR 46 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2rpc h MET 47 N -1.00 0.01 0.00 -2.82 2.86 -0.68 2.02 114.93 115.32 2rpc h MET 47 Ca -0.17 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2rpc h MET 47 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2rpc h MET 47 CO -0.10 1.00 0.00 0.39 1.06 0.00 0.00 176.91 179.26 2rpc n GLU 48 N -4.45 0.52 0.00 1.72 -0.58 0.73 -2.10 120.64 116.49 2rpc n GLU 48 Ca -0.28 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 2rpc n GLU 48 Cb 0.66 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 2rpc n GLU 48 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2rpc n HIS 49 N -0.84 -0.07 0.49 -0.32 8.25 0.89 -4.81 115.22 118.80 2rpc n HIS 49 Ca 0.09 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 2rpc n HIS 49 Cb 0.04 0.41 0.38 0.00 1.12 0.00 0.00 29.99 31.94 2rpc n HIS 49 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2rpc n VAL 50 N -2.24 0.90 -1.47 1.59 0.31 0.47 -4.96 118.33 112.94 2rpc n VAL 50 Ca 0.00 0.23 0.14 0.00 -0.01 0.00 0.00 64.34 64.70 2rpc n VAL 50 Cb 0.00 -1.02 -0.08 0.00 -0.91 0.00 0.00 33.84 31.83 2rpc n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rpc n GLY 51 N 0.07 -3.39 0.00 2.92 0.00 0.66 -4.81 105.19 100.65 2rpc n GLY 51 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2rpc n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rpc n GLY 52 N -4.06 -3.33 0.01 -0.02 0.00 -1.26 -4.61 105.19 91.93 2rpc n GLY 52 Ca -0.08 -1.28 0.07 0.00 0.00 0.00 0.00 46.02 44.74 2rpc n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rpc n PRO 53 N -1.44 0.02 0.24 1.61 -0.04 -1.26 -2.72 135.00 131.42 2rpc n PRO 53 Ca 0.00 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 2rpc n PRO 53 Cb 0.00 -1.54 0.62 0.00 -0.04 0.00 0.00 33.50 32.54 2rpc n PRO 53 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2rpc h GLU 54 N 0.00 0.00 -6.20 0.54 4.11 -1.96 -3.38 114.58 107.69 2rpc h GLU 54 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 2rpc h GLU 54 Cb 0.26 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.41 2rpc h GLU 54 CO 0.00 0.17 1.34 -0.65 0.07 0.00 0.00 179.01 179.94 2rpc s GLN 55 N -4.29 3.45 0.00 1.06 -0.21 -1.10 -4.92 119.66 113.64 2rpc s GLN 55 Ca -0.03 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.54 2rpc s GLN 55 Cb 0.14 -4.95 0.00 0.00 1.00 0.00 0.00 33.01 29.20 2rpc s GLN 55 CO 0.63 -2.19 0.53 0.09 -2.12 0.00 0.00 175.29 172.23 2rpc n ASN 56 N 9.08 0.00 -4.51 5.90 3.02 -1.26 -3.32 115.26 124.18 2rpc n ASN 56 Ca 0.23 0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 54.88 2rpc n ASN 56 Cb 0.50 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 2rpc n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2rpc s ASN 57 N -2.59 6.30 -0.35 6.41 3.84 -1.26 -4.99 114.94 122.31 2rpc s ASN 57 Ca 0.00 -1.07 -0.17 0.00 0.21 0.00 0.00 52.86 51.83 2rpc s ASN 57 Cb 0.00 -2.49 -0.01 0.00 -0.55 0.00 0.00 41.25 38.20 2rpc s ASN 57 CO 0.00 -1.52 0.45 -1.38 -2.79 0.00 0.00 177.10 171.85 2rpc s HIS 58 N 4.57 3.19 -0.02 0.43 -3.43 -1.21 -5.05 115.29 113.77 2rpc s HIS 58 Ca 0.33 0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.68 2rpc s HIS 58 Cb -0.09 -2.81 0.02 0.00 -1.43 0.00 0.00 32.58 28.27 2rpc s HIS 58 CO 0.05 -0.50 -0.00 0.08 -2.00 0.00 0.00 174.74 172.37 2rpc s VAL 59 N 2.23 0.16 -0.27 -5.38 1.01 -1.26 -4.44 120.40 112.45 2rpc s VAL 59 Ca 0.16 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.03 2rpc s VAL 59 Cb -0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2rpc s VAL 59 CO 0.13 0.12 0.45 0.00 0.00 0.00 0.00 175.10 175.80 2rpc s TYR 61 N 2.20 3.44 0.15 0.00 2.02 -1.26 -4.27 117.35 119.63 2rpc s TYR 61 Ca 0.18 -1.83 -0.13 0.00 -0.37 0.00 0.00 57.07 54.92 2rpc s TYR 61 Cb -0.16 -3.60 -0.07 0.00 -0.40 0.00 0.00 41.96 37.73 2rpc s TYR 61 CO 0.10 -0.99 0.53 -0.46 -1.57 0.00 0.00 175.55 173.16 2rpc s TRP 62 N 1.08 3.57 0.61 2.71 -0.11 -1.26 -1.14 118.94 124.39 2rpc s TRP 62 Ca 0.08 0.99 0.16 0.00 1.22 0.00 0.00 56.10 58.55 2rpc s TRP 62 Cb -0.24 -2.32 0.85 0.00 -1.50 0.00 0.00 33.47 30.26 2rpc s TRP 62 CO -0.01 0.41 1.46 1.49 -4.62 0.00 0.00 176.95 175.68 2rpc h GLU 63 N 3.39 0.00 -0.01 5.86 4.81 -1.79 -2.00 114.58 124.84 2rpc h GLU 63 Ca -0.48 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.60 2rpc h GLU 63 Cb 1.19 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.41 2rpc h GLU 63 CO 0.66 0.00 -0.37 0.39 -0.73 0.00 0.00 179.01 178.96 2rpc n GLU 64 N -2.63 0.34 -1.56 1.92 1.02 -1.26 -5.03 120.64 113.44 2rpc n GLU 64 Ca -0.01 -1.19 -0.50 0.00 -0.02 0.00 0.00 57.16 55.44 2rpc n GLU 64 Cb 0.64 0.39 -0.04 0.00 -0.02 0.00 0.00 31.44 32.40 2rpc n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rpc h PRO 66 N 3.22 0.00 0.00 0.00 0.13 -1.98 -2.57 132.00 130.80 2rpc h PRO 66 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2rpc h PRO 66 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2rpc h PRO 66 CO 0.69 0.02 -0.53 0.00 -0.23 0.00 0.00 178.00 177.95 2rpc h ARG 67 N 0.00 0.00 -3.91 0.86 2.47 -1.96 -3.48 114.38 108.36 2rpc h ARG 67 Ca -0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 2rpc h ARG 67 Cb 0.51 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 28.91 2rpc h ARG 67 CO 0.00 0.00 -0.44 0.39 0.56 0.00 0.00 179.97 180.49 2rpc n GLU 68 N -2.61 -4.74 -3.41 0.04 1.02 -0.97 -3.16 120.64 106.81 2rpc n GLU 68 Ca 0.02 0.56 -0.18 0.00 -0.02 0.00 0.00 57.16 57.55 2rpc n GLU 68 Cb 0.50 -4.76 0.08 0.00 -0.02 0.00 0.00 31.44 27.25 2rpc n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpc n GLY 69 N -1.44 -0.37 3.30 0.62 0.00 -1.26 -4.96 105.19 101.09 2rpc n GLY 69 Ca -0.02 0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 2rpc n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rpc s LYS 70 N -5.54 2.97 0.37 1.61 -0.14 -1.19 -4.96 119.74 112.85 2rpc s LYS 70 Ca 0.14 -1.72 -0.15 0.00 -1.36 0.00 0.00 55.97 52.89 2rpc s LYS 70 Cb -0.06 -4.28 -0.12 0.00 -1.68 0.00 0.00 37.83 31.69 2rpc s LYS 70 CO 0.70 -1.32 -0.05 0.43 -0.76 0.00 0.00 175.35 174.34 2rpc n SER 71 N 5.22 -2.67 -4.98 2.83 7.64 -1.26 -4.95 113.62 115.45 2rpc n SER 71 Ca -0.13 0.54 -0.20 0.00 1.01 0.00 0.00 58.87 60.09 2rpc n SER 71 Cb 0.40 -0.66 0.03 0.00 -1.01 0.00 0.00 64.21 62.97 2rpc n SER 71 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2rpc s PHE 72 N -1.48 2.77 0.10 1.43 0.40 -1.26 -5.01 117.98 114.93 2rpc s PHE 72 Ca 0.44 -0.17 0.16 0.00 -0.60 0.00 0.00 56.93 56.77 2rpc s PHE 72 Cb -0.41 -2.62 0.45 0.00 0.51 0.00 0.00 43.02 40.94 2rpc s PHE 72 CO 0.50 -0.75 1.63 0.87 0.70 0.00 0.00 175.22 178.17 2rpc h LYS 73 N 0.25 0.00 -4.50 0.44 1.79 -1.97 -3.46 116.57 109.11 2rpc h LYS 73 Ca -0.41 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.79 2rpc h LYS 73 Cb 1.29 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.81 2rpc h LYS 73 CO 0.49 0.47 -0.49 0.00 -1.08 0.00 0.00 179.45 178.84 2rpc s ALA 74 N -3.40 1.11 -0.04 3.86 0.00 -1.26 -5.06 121.76 116.97 2rpc s ALA 74 Ca 0.01 -1.67 -0.24 0.00 0.00 0.00 0.00 51.96 50.07 2rpc s ALA 74 Cb 0.10 1.35 -0.23 0.00 0.00 0.00 0.00 23.12 24.35 2rpc s ALA 74 CO 0.72 -0.66 1.07 -0.22 0.00 0.00 0.00 175.76 176.67 2rpc h LYS 75 N 2.43 0.20 0.00 0.00 3.11 -1.97 -3.19 116.57 117.16 2rpc h LYS 75 Ca -0.32 -0.20 -0.00 0.00 -2.81 0.00 0.00 60.65 57.32 2rpc h LYS 75 Cb 1.25 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.53 2rpc h LYS 75 CO 0.46 0.91 -0.02 0.10 -2.81 0.00 0.00 179.45 178.09 2rpc h TYR 76 N -0.42 0.00 -0.58 1.91 -0.00 -2.00 -1.84 116.97 114.04 2rpc h TYR 76 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.60 2rpc h TYR 76 Cb 0.99 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.70 2rpc h TYR 76 CO 0.17 0.02 -0.02 0.87 -0.00 0.00 0.00 178.16 179.19 2rpc h LYS 77 N 0.00 1.04 -0.47 0.10 1.79 -1.97 -2.34 116.57 114.71 2rpc h LYS 77 Ca -0.00 -0.34 -0.10 0.00 -2.18 0.00 0.00 60.65 58.03 2rpc h LYS 77 Cb 0.03 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2rpc h LYS 77 CO 0.00 1.03 -0.10 1.25 -1.08 0.00 0.00 179.45 180.56 2rpc h LEU 78 N 0.93 0.85 -0.40 2.94 5.85 -1.33 -2.61 115.31 121.54 2rpc h LEU 78 Ca 0.16 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2rpc h LEU 78 Cb 0.58 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2rpc h LEU 78 CO 0.03 0.97 0.14 0.58 -0.34 0.00 0.00 178.44 179.82 2rpc h VAL 79 N 0.77 1.21 0.00 1.05 2.07 -1.32 -2.31 116.25 117.71 2rpc h VAL 79 Ca 0.13 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2rpc h VAL 79 Cb 0.60 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2rpc h VAL 79 CO 0.04 0.24 -0.10 0.78 0.02 0.00 0.00 177.57 178.55 2rpc h ASN 80 N 0.50 0.00 0.02 0.57 2.35 -1.31 -2.87 115.58 114.84 2rpc h ASN 80 Ca 0.13 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2rpc h ASN 80 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2rpc h ASN 80 CO -0.01 0.10 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.12 2rpc h HIS 81 N 0.00 -0.03 -0.06 1.19 -0.00 -1.03 -2.89 115.15 112.34 2rpc h HIS 81 Ca -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2rpc h HIS 81 Cb 0.30 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2rpc h HIS 81 CO 0.00 0.41 0.39 0.82 -0.00 0.00 0.00 177.93 179.55 2rpc h ILE 82 N -0.47 0.04 -0.01 6.26 2.04 -1.28 0.19 117.51 124.28 2rpc h ILE 82 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2rpc h ILE 82 Cb 0.45 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2rpc h ILE 82 CO 0.01 0.00 0.02 0.03 0.00 0.00 0.00 178.15 178.20 2rpc h ARG 83 N 0.00 0.00 0.00 2.37 2.47 -1.55 0.79 114.38 118.46 2rpc h ARG 83 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2rpc h ARG 83 Cb 0.81 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2rpc h ARG 83 CO -0.00 0.00 -0.58 -0.39 0.56 0.00 0.00 179.97 179.56 2rpc h VAL 84 N 0.00 0.00 0.00 2.04 -1.51 -0.80 -2.99 116.25 112.99 2rpc h VAL 84 Ca 0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 2rpc h VAL 84 Cb 0.03 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2rpc h VAL 84 CO -0.00 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.75 2rpc n HIS 85 N -2.72 0.51 -0.07 5.19 8.25 0.27 -3.94 115.22 122.70 2rpc n HIS 85 Ca 0.02 0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.52 2rpc n HIS 85 Cb 0.52 -0.78 -0.04 0.00 1.12 0.00 0.00 29.99 30.81 2rpc n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2rpc n THR 86 N -1.94 1.25 -0.51 1.59 -2.24 -1.21 -5.02 114.28 106.19 2rpc n THR 86 Ca 0.04 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2rpc n THR 86 Cb 0.30 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 2rpc n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rpc n GLY 87 N 1.94 0.75 3.65 3.38 0.00 -1.13 -5.03 105.19 108.76 2rpc n GLY 87 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2rpc n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rpc s GLU 88 N -0.49 4.22 0.04 1.61 2.12 -1.26 -5.05 118.70 119.90 2rpc s GLU 88 Ca 0.00 0.95 0.09 0.00 0.36 0.00 0.00 54.97 56.36 2rpc s GLU 88 Cb 0.00 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 2rpc s GLU 88 CO 0.00 -0.44 -0.25 0.15 -0.54 0.00 0.00 175.26 174.18 2rpc s LYS 89 N 2.55 1.73 -0.02 4.30 -0.14 -1.26 -4.91 119.74 121.98 2rpc s LYS 89 Ca 0.36 -1.05 -0.25 0.00 -1.36 0.00 0.00 55.97 53.66 2rpc s LYS 89 Cb -0.16 -1.87 -0.19 0.00 -1.68 0.00 0.00 37.83 33.93 2rpc s LYS 89 CO 0.09 0.48 1.21 -1.00 -0.76 0.00 0.00 175.35 175.37 2rpc h PRO 90 N 4.88 -0.08 -2.32 -1.68 0.13 -1.86 -3.47 132.00 127.60 2rpc h PRO 90 Ca -0.45 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 2rpc h PRO 90 Cb 1.14 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 2rpc h PRO 90 CO 0.44 0.38 -0.03 -0.59 -0.23 0.00 0.00 178.00 177.96 2rpc s PHE 91 N -4.19 -0.65 0.00 1.56 -0.12 -1.26 -5.11 117.98 108.21 2rpc s PHE 91 Ca -0.15 1.57 0.00 0.00 -0.05 0.00 0.00 56.93 58.30 2rpc s PHE 91 Cb 0.02 0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.63 2rpc s PHE 91 CO 0.63 -0.31 0.00 -0.35 -0.05 0.00 0.00 175.22 175.14 2rpc n PRO 92 N 2.79 -0.50 -3.52 1.99 -0.04 -1.26 -4.05 135.00 130.41 2rpc n PRO 92 Ca -0.14 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.95 2rpc n PRO 92 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 2rpc n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rpc n PRO 94 N 2.56 0.49 -3.65 0.00 -0.04 -1.26 -4.69 135.00 128.41 2rpc n PRO 94 Ca -0.13 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.97 2rpc n PRO 94 Cb 0.52 -1.34 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 2rpc n PRO 94 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2rpc s PHE 95 N -2.00 3.48 -0.02 0.54 2.19 -1.26 -5.01 117.98 115.90 2rpc s PHE 95 Ca 0.16 0.53 -0.23 0.00 0.33 0.00 0.00 56.93 57.71 2rpc s PHE 95 Cb 0.07 -2.22 -0.17 0.00 -1.31 0.00 0.00 43.02 39.40 2rpc s PHE 95 CO 0.12 0.36 1.09 -1.00 1.83 0.00 0.00 175.22 177.62 2rpc h PRO 96 N 6.29 -0.26 -1.84 10.12 0.13 -1.96 -3.27 132.00 141.20 2rpc h PRO 96 Ca -0.44 0.02 -0.30 0.00 -0.87 0.00 0.00 66.00 64.41 2rpc h PRO 96 Cb 1.17 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 2rpc h PRO 96 CO 0.72 0.13 0.18 0.41 -0.23 0.00 0.00 178.00 179.21 2rpc n GLY 97 N 0.15 3.70 1.09 1.56 0.00 -1.26 -3.87 105.19 106.56 2rpc n GLY 97 Ca -0.09 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2rpc n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpc n GLY 99 N 1.97 -0.24 3.91 0.00 0.00 -1.24 -4.93 105.19 104.66 2rpc n GLY 99 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2rpc n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rpc s LYS 100 N -4.71 3.56 -0.00 1.61 2.47 -1.26 -4.95 119.74 116.46 2rpc s LYS 100 Ca 0.00 -0.21 -0.00 0.00 -1.56 0.00 0.00 55.97 54.20 2rpc s LYS 100 Cb 0.00 -2.87 0.00 0.00 -1.46 0.00 0.00 37.83 33.51 2rpc s LYS 100 CO 0.00 0.46 0.01 0.42 0.16 0.00 0.00 175.35 176.40 2rpc s ILE 101 N -1.72 -0.00 0.23 5.43 1.01 -1.26 -0.51 121.20 124.37 2rpc s ILE 101 Ca 0.39 0.02 0.09 0.00 0.00 0.00 0.00 60.65 61.15 2rpc s ILE 101 Cb -0.12 -0.02 -0.05 0.00 0.01 0.00 0.00 42.46 42.28 2rpc s ILE 101 CO 0.27 0.01 -0.16 -0.36 0.00 0.00 0.00 174.94 174.69 2rpc s PHE 102 N 0.08 1.87 -0.69 3.97 0.40 -1.26 -5.01 117.98 117.35 2rpc s PHE 102 Ca -0.01 -0.50 0.20 0.00 -0.60 0.00 0.00 56.93 56.02 2rpc s PHE 102 Cb -0.01 -0.85 -0.24 0.00 0.51 0.00 0.00 43.02 42.43 2rpc s PHE 102 CO -0.00 0.46 0.74 0.00 0.70 0.00 0.00 175.22 177.11 2rpc n ALA 103 N -0.45 4.09 -2.80 5.36 0.00 -1.26 -4.16 120.51 121.30 2rpc n ALA 103 Ca -0.07 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.49 2rpc n ALA 103 Cb 0.60 -0.72 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 2rpc n ALA 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2rpc s ARG 104 N -3.03 3.21 0.19 0.00 3.52 -1.26 -4.75 118.95 116.83 2rpc s ARG 104 Ca 0.03 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 54.98 2rpc s ARG 104 Cb 0.15 -2.74 0.11 0.00 -1.56 0.00 0.00 34.95 30.90 2rpc s ARG 104 CO 0.83 0.44 1.75 0.66 -0.81 0.00 0.00 175.30 178.17 2rpc h SER 105 N 6.01 0.91 0.16 -2.12 4.64 -2.00 -2.14 113.55 119.01 2rpc h SER 105 Ca -0.39 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 60.74 2rpc h SER 105 Cb 1.19 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2rpc h SER 105 CO 0.57 0.82 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.89 2rpc h GLU 106 N 0.94 0.00 0.20 4.77 4.39 -1.99 -1.63 114.58 121.27 2rpc h GLU 106 Ca 0.22 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 2rpc h GLU 106 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2rpc h GLU 106 CO -0.02 0.13 -0.10 -0.91 -1.16 0.00 0.00 179.01 176.96 2rpc h ASN 107 N 0.00 -0.23 -0.31 1.42 -0.26 -1.82 -0.71 115.58 113.67 2rpc h ASN 107 Ca -0.00 -0.30 0.03 0.00 -0.56 0.00 0.00 56.30 55.47 2rpc h ASN 107 Cb 0.25 0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.54 2rpc h ASN 107 CO 0.02 0.27 0.12 0.25 -1.06 0.00 0.00 177.43 177.02 2rpc h LEU 108 N -0.82 0.14 -0.27 1.61 5.85 -1.30 0.85 115.31 121.37 2rpc h LEU 108 Ca -0.03 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2rpc h LEU 108 Cb 0.52 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2rpc h LEU 108 CO 0.05 0.12 0.13 0.07 -0.34 0.00 0.00 178.44 178.46 2rpc h LYS 109 N 0.26 0.38 0.00 1.25 2.10 -1.38 0.33 116.57 119.51 2rpc h LYS 109 Ca 0.14 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.66 2rpc h LYS 109 Cb 0.10 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2rpc h LYS 109 CO -0.13 0.37 -0.37 0.82 -2.00 0.00 0.00 179.45 178.14 2rpc h ILE 110 N 0.30 1.02 0.00 0.07 2.04 -0.79 -2.75 117.51 117.41 2rpc h ILE 110 Ca 0.09 -1.38 -0.14 0.00 1.00 0.00 0.00 64.86 64.43 2rpc h ILE 110 Cb 0.11 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2rpc h ILE 110 CO -0.01 0.36 -0.77 -0.74 0.00 0.00 0.00 178.15 176.99 2rpc h HIS 111 N 0.00 0.00 0.00 1.37 2.76 0.11 -3.27 115.15 116.13 2rpc h HIS 111 Ca -0.00 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.04 2rpc h HIS 111 Cb 0.77 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 2rpc h HIS 111 CO 0.00 0.61 -0.59 0.87 -1.30 0.00 0.00 177.93 177.52 2rpc h LYS 112 N 0.00 0.00 0.00 5.26 1.57 -0.08 -2.96 116.57 120.37 2rpc h LYS 112 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2rpc h LYS 112 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.81 2rpc h LYS 112 CO 0.07 0.59 0.00 0.07 -0.57 0.00 0.00 179.45 179.61 2rpc h ARG 113 N 0.00 0.00 -0.01 3.15 0.11 -1.55 -2.66 114.38 113.43 2rpc h ARG 113 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2rpc h ARG 113 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2rpc h ARG 113 CO 0.08 0.00 -0.18 -2.37 0.10 0.00 0.00 179.97 177.60 2rpc n THR 114 N -2.92 0.00 -0.86 0.08 5.66 -1.12 -4.26 114.28 110.86 2rpc n THR 114 Ca 0.02 -0.09 -0.09 0.00 -3.05 0.00 0.00 64.05 60.84 2rpc n THR 114 Cb 0.37 0.14 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 2rpc n THR 114 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2rpc n HIS 115 N -0.81 0.14 -4.49 1.09 8.25 -1.00 -4.83 115.22 113.57 2rpc n HIS 115 Ca 0.13 -1.38 -0.22 0.00 -0.26 0.00 0.00 57.72 55.99 2rpc n HIS 115 Cb 0.31 -1.22 -0.05 0.00 1.12 0.00 0.00 29.99 30.15 2rpc n HIS 115 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2rpc n THR 116 N 2.02 0.00 0.00 1.59 5.66 -1.26 -4.97 114.28 117.33 2rpc n THR 116 Ca 0.29 -1.78 0.00 0.00 -3.05 0.00 0.00 64.05 59.51 2rpc n THR 116 Cb 0.76 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 2rpc n THR 116 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2rpc n GLY 117 N 0.29 2.18 3.72 1.09 0.00 -1.26 -4.82 105.19 106.39 2rpc n GLY 117 Ca -0.11 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2rpc n GLY 117 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2rpc s GLU 118 N 0.00 4.51 0.26 1.61 -1.05 -1.26 -5.05 118.70 117.72 2rpc s GLU 118 Ca 0.00 1.16 0.08 0.00 -0.15 0.00 0.00 54.97 56.06 2rpc s GLU 118 Cb 0.00 -3.44 -0.04 0.00 -0.44 0.00 0.00 34.13 30.21 2rpc s GLU 118 CO 0.00 0.04 0.16 0.15 0.95 0.00 0.00 175.26 176.56 2rpc s LYS 119 N 0.80 2.78 0.30 -4.83 3.01 -1.26 -5.03 119.74 115.51 2rpc s LYS 119 Ca 0.44 -1.15 0.09 0.00 -1.01 0.00 0.00 55.97 54.35 2rpc s LYS 119 Cb -0.20 -2.48 0.47 0.00 -1.01 0.00 0.00 37.83 34.62 2rpc s LYS 119 CO 0.23 0.37 1.69 -1.00 0.51 0.00 0.00 175.35 177.16 2rpc h PRO 120 N 1.55 0.12 -5.20 -1.68 0.13 -1.91 -3.42 132.00 121.59 2rpc h PRO 120 Ca -0.47 -0.06 -0.67 0.00 -0.87 0.00 0.00 66.00 63.92 2rpc h PRO 120 Cb 1.24 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.06 2rpc h PRO 120 CO 0.61 0.57 -0.82 -0.06 -0.23 0.00 0.00 178.00 178.07 2rpc s PHE 121 N -3.98 2.75 -0.10 1.56 0.08 -0.92 -5.05 117.98 112.32 2rpc s PHE 121 Ca -0.03 -1.10 0.03 0.00 0.12 0.00 0.00 56.93 55.95 2rpc s PHE 121 Cb 0.13 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 2rpc s PHE 121 CO 0.76 -0.50 -0.20 0.21 -0.10 0.00 0.00 175.22 175.40 2rpc s LYS 122 N 0.80 2.59 -0.22 0.44 2.20 -1.26 -1.00 119.74 123.28 2rpc s LYS 122 Ca -0.06 -0.71 -0.37 0.00 -0.36 0.00 0.00 55.97 54.47 2rpc s LYS 122 Cb -0.15 -2.03 -0.17 0.00 -1.51 0.00 0.00 37.83 33.97 2rpc s LYS 122 CO -0.00 0.09 1.14 0.00 -0.36 0.00 0.00 175.35 176.21 2rpc n GLU 124 N 2.37 0.44 -2.39 0.00 1.02 -1.26 -4.78 120.64 116.04 2rpc n GLU 124 Ca 0.22 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.96 2rpc n GLU 124 Cb 0.01 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 2rpc n GLU 124 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2rpc s PHE 125 N -2.49 2.94 0.29 -0.32 5.36 -1.26 -4.98 117.98 117.52 2rpc s PHE 125 Ca 0.27 1.03 -0.29 0.00 -0.96 0.00 0.00 56.93 56.98 2rpc s PHE 125 Cb 0.18 -3.51 -0.10 0.00 -0.34 0.00 0.00 43.02 39.25 2rpc s PHE 125 CO 0.39 -1.74 1.41 -2.00 -1.46 0.00 0.00 175.22 171.83 2rpc s GLU 126 N 2.87 4.27 -0.28 10.12 2.56 -1.26 -2.38 118.70 134.59 2rpc s GLU 126 Ca 0.57 2.33 0.00 0.00 0.00 0.00 0.00 54.97 57.87 2rpc s GLU 126 Cb -0.25 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 32.81 2rpc s GLU 126 CO 0.20 -0.37 0.00 0.41 -0.56 0.00 0.00 175.26 174.93 2rpc n GLY 127 N 1.52 0.59 3.31 -1.50 0.00 -1.26 -5.03 105.19 102.82 2rpc n GLY 127 Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 2rpc n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpc s ASP 129 N -0.89 4.22 0.23 0.00 -4.77 -1.26 -4.87 116.67 109.33 2rpc s ASP 129 Ca 0.10 -1.37 0.01 0.00 -3.30 0.00 0.00 52.55 48.00 2rpc s ASP 129 Cb -0.10 -1.39 -0.00 0.00 -1.09 0.00 0.00 42.92 40.34 2rpc s ASP 129 CO 0.00 -0.22 0.28 0.54 0.70 0.00 0.00 175.17 176.47 2rpc n ARG 130 N 4.52 0.40 -3.66 2.11 5.12 -1.26 -5.06 116.66 118.84 2rpc n ARG 130 Ca -0.12 -2.03 -0.07 0.00 -1.93 0.00 0.00 57.85 53.70 2rpc n ARG 130 Cb 0.43 1.84 -0.08 0.00 -1.16 0.00 0.00 32.46 33.48 2rpc n ARG 130 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2rpc s ARG 131 N -2.68 0.40 0.16 5.56 0.52 -1.26 -4.51 118.95 117.13 2rpc s ARG 131 Ca 0.22 1.10 0.07 0.00 -0.52 0.00 0.00 55.73 56.60 2rpc s ARG 131 Cb 0.00 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.82 2rpc s ARG 131 CO 0.16 -0.23 -0.14 -0.06 0.02 0.00 0.00 175.30 175.05 2rpc s PHE 132 N 2.50 1.54 -0.03 -0.53 0.08 -0.17 -5.04 117.98 116.32 2rpc s PHE 132 Ca -0.04 -0.58 0.13 0.00 0.12 0.00 0.00 56.93 56.56 2rpc s PHE 132 Cb -0.11 -0.76 -0.20 0.00 -0.57 0.00 0.00 43.02 41.38 2rpc s PHE 132 CO -0.14 0.23 0.26 0.00 -0.10 0.00 0.00 175.22 175.47 2rpc n ALA 133 N 0.06 2.39 -3.57 5.36 0.00 -1.26 -2.17 120.51 121.32 2rpc n ALA 133 Ca -0.12 -0.38 -0.20 0.00 0.00 0.00 0.00 53.44 52.74 2rpc n ALA 133 Cb 0.59 -0.40 -0.16 0.00 0.00 0.00 0.00 19.45 19.48 2rpc n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rpc s ASN 134 N -3.65 1.01 0.33 0.00 2.20 -1.26 -4.78 114.94 108.78 2rpc s ASN 134 Ca -0.05 -0.15 0.11 0.00 -0.94 0.00 0.00 52.86 51.83 2rpc s ASN 134 Cb 0.08 -0.47 0.99 0.00 -2.00 0.00 0.00 41.25 39.85 2rpc s ASN 134 CO 0.54 -0.04 1.64 0.28 -2.94 0.00 0.00 177.10 176.59 2rpc h SER 135 N 7.08 0.25 -0.38 3.54 0.02 -1.98 0.64 113.55 122.71 2rpc h SER 135 Ca -0.37 0.21 0.07 0.00 -0.84 0.00 0.00 61.79 60.86 2rpc h SER 135 Cb 1.16 0.23 -0.09 0.00 0.14 0.00 0.00 62.40 63.83 2rpc h SER 135 CO 0.48 -0.21 -0.36 0.28 -1.14 0.00 0.00 176.83 175.87 2rpc h SER 136 N 0.21 -1.21 -0.04 3.07 0.02 -2.00 -1.61 113.55 111.99 2rpc h SER 136 Ca 0.69 0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.87 2rpc h SER 136 Cb 1.57 0.55 -0.04 0.00 0.14 0.00 0.00 62.40 64.62 2rpc h SER 136 CO -0.67 -0.34 -0.15 -0.78 -1.14 0.00 0.00 176.83 173.74 2rpc h ASP 137 N -0.29 -0.45 -0.91 3.07 3.58 -1.30 -1.94 116.42 118.17 2rpc h ASP 137 Ca 0.16 0.07 0.26 0.00 0.42 0.00 0.00 57.03 57.93 2rpc h ASP 137 Cb 0.56 0.20 -0.14 0.00 1.72 0.00 0.00 39.33 41.67 2rpc h ASP 137 CO -0.54 -0.21 0.31 -0.09 -2.88 0.00 0.00 179.24 175.83 2rpc h ARG 138 N -0.23 0.22 -0.47 0.28 2.43 -1.07 0.54 114.38 116.08 2rpc h ARG 138 Ca 0.06 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2rpc h ARG 138 Cb 0.32 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2rpc h ARG 138 CO -0.18 0.15 -0.14 -0.22 -1.51 0.00 0.00 179.97 178.07 2rpc h LYS 139 N 0.23 0.90 0.00 0.20 3.11 -0.61 -2.42 116.57 117.97 2rpc h LYS 139 Ca 0.60 -0.33 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 2rpc h LYS 139 Cb 1.25 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 2rpc h LYS 139 CO -0.65 0.98 0.00 0.87 -2.81 0.00 0.00 179.45 177.83 2rpc h LYS 140 N 0.80 0.00 -0.01 1.90 6.56 0.72 -0.78 116.57 125.75 2rpc h LYS 140 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2rpc h LYS 140 Cb 0.67 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.33 2rpc h LYS 140 CO 0.05 0.00 -0.05 1.58 -2.06 0.00 0.00 179.45 178.96 2rpc n HIS 141 N -2.96 0.00 0.11 -1.35 -0.00 -0.51 -3.41 115.22 107.10 2rpc n HIS 141 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.79 2rpc n HIS 141 Cb 0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 2rpc n HIS 141 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2rpc h MET 142 N 0.88 0.00 -0.02 1.57 2.86 -1.18 -3.33 114.93 115.72 2rpc h MET 142 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2rpc h MET 142 Cb 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2rpc h MET 142 CO 0.00 0.11 0.26 1.12 1.06 0.00 0.00 176.91 179.46 2rpc h HIS 143 N 0.00 0.00 0.00 -0.22 2.07 -1.67 0.56 115.15 115.89 2rpc h HIS 143 Ca -0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 2rpc h HIS 143 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 2rpc h HIS 143 CO 0.00 0.00 -1.18 1.55 -3.07 0.00 0.00 177.93 175.23 2rpc n VAL 144 N -2.99 0.01 1.19 6.12 3.14 -1.25 -4.06 118.33 120.50 2rpc n VAL 144 Ca -0.02 -0.12 0.14 0.00 -2.96 0.00 0.00 64.34 61.38 2rpc n VAL 144 Cb 0.32 0.72 0.56 0.00 -1.06 0.00 0.00 33.84 34.37 2rpc n VAL 144 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2rpc n HIS 145 N -1.68 0.00 -0.02 1.45 8.25 0.19 -3.50 115.22 119.91 2rpc n HIS 145 Ca 0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.54 2rpc n HIS 145 Cb 0.38 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 31.05 2rpc n HIS 145 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2rpc n THR 146 N -1.28 0.18 -3.81 1.59 5.66 -1.12 -5.05 114.28 110.45 2rpc n THR 146 Ca 0.10 -0.43 -0.08 0.00 -3.05 0.00 0.00 64.05 60.60 2rpc n THR 146 Cb 0.31 -0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.06 2rpc n THR 146 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2rpc s SER 147 N -4.09 -0.29 -0.62 1.09 0.15 -1.23 -5.11 113.70 103.60 2rpc s SER 147 Ca -0.06 -0.55 -0.26 0.00 0.70 0.00 0.00 55.95 55.78 2rpc s SER 147 Cb 0.10 0.71 0.04 0.00 -1.71 0.00 0.00 66.02 65.16 2rpc s SER 147 CO 0.68 -1.30 1.10 -1.81 1.20 0.00 0.00 173.24 173.12 2rpc s ASP 148 N -2.90 6.31 -0.06 5.45 1.11 -1.26 -4.44 116.67 120.87 2rpc s ASP 148 Ca 0.10 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.52 2rpc s ASP 148 Cb -0.05 -2.50 0.02 0.00 1.07 0.00 0.00 42.92 41.46 2rpc s ASP 148 CO 0.05 -1.47 -0.04 -0.75 1.18 0.00 0.00 175.17 174.13 2rpc s LYS 149 N 4.68 0.91 0.98 8.23 2.36 -1.26 -5.13 119.74 130.51 2rpc s LYS 149 Ca 0.34 -0.09 -0.15 0.00 -2.55 0.00 0.00 55.97 53.53 2rpc s LYS 149 Cb -0.10 -1.00 -0.04 0.00 -1.05 0.00 0.00 37.83 35.64 2rpc s LYS 149 CO 0.19 -0.15 -0.12 -1.13 1.55 0.00 0.00 175.35 175.68 2rpc n SER 150 N 4.43 -3.68 0.00 1.43 3.41 -1.26 -4.80 113.62 113.15 2rpc n SER 150 Ca -0.18 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2rpc n SER 150 Cb 0.51 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2rpc n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rpc n GLY 151 N 2.34 -1.08 0.24 5.00 0.00 -1.26 -4.98 105.19 105.46 2rpc n GLY 151 Ca 0.03 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 2rpc n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpc h PRO 152 N 0.00 0.72 -6.34 1.61 0.13 -2.06 -3.44 132.00 122.62 2rpc h PRO 152 Ca 0.00 -0.38 -0.64 0.00 -0.87 0.00 0.00 66.00 64.11 2rpc h PRO 152 Cb 0.00 0.01 0.04 0.00 0.13 0.00 0.00 31.00 31.19 2rpc h PRO 152 CO 0.00 1.00 0.74 -1.13 -0.23 0.00 0.00 178.00 178.38 2rpc n SER 153 N -4.04 2.55 -4.90 1.44 3.41 -1.26 -4.95 113.62 105.86 2rpc n SER 153 Ca -0.02 1.08 -0.28 0.00 -0.26 0.00 0.00 58.87 59.38 2rpc n SER 153 Cb 0.53 -1.29 0.05 0.00 -0.26 0.00 0.00 64.21 63.24 2rpc n SER 153 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2rpc s SER 154 N 1.64 5.20 0.00 4.04 0.01 -1.26 -5.15 113.70 118.18 2rpc s SER 154 Ca 0.86 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2rpc s SER 154 Cb -0.83 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2rpc s SER 154 CO 0.47 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 173.31