#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpc s SER 2 N 0.00 2.06 0.18 1.61 0.15 -1.26 -5.11 113.70 111.34 2rpc s SER 2 Ca 0.00 -0.69 -0.33 0.00 0.70 0.00 0.00 55.95 55.63 2rpc s SER 2 Cb 0.00 -0.09 -0.15 0.00 -1.71 0.00 0.00 66.02 64.07 2rpc s SER 2 CO 0.00 -0.05 1.27 -1.20 1.20 0.00 0.00 173.24 174.47 2rpc n SER 3 N 1.01 1.85 0.00 5.45 7.64 -1.26 -4.98 113.62 123.34 2rpc n SER 3 Ca -0.19 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2rpc n SER 3 Cb 0.55 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2rpc n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rpc n GLY 4 N 2.19 1.52 0.84 0.23 0.00 -1.26 -5.04 105.19 103.67 2rpc n GLY 4 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 2rpc n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rpc n SER 5 N 0.00 0.80 -2.43 1.61 2.88 -1.26 -4.98 113.62 110.24 2rpc n SER 5 Ca 0.00 0.12 -0.04 0.00 -1.33 0.00 0.00 58.87 57.62 2rpc n SER 5 Cb 0.00 -0.28 -0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2rpc n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2rpc n SER 6 N -3.45 -1.90 -3.63 -3.46 7.64 -1.26 -4.85 113.62 102.70 2rpc n SER 6 Ca -0.07 0.39 -0.11 0.00 1.01 0.00 0.00 58.87 60.08 2rpc n SER 6 Cb 0.36 -1.73 -0.07 0.00 -1.01 0.00 0.00 64.21 61.76 2rpc n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2rpc s GLY 7 N -1.98 -0.47 0.08 0.23 0.00 -1.26 -5.17 107.32 98.74 2rpc s GLY 7 Ca 0.00 2.26 0.05 0.00 0.00 0.00 0.00 44.72 47.04 2rpc s GLY 7 CO 0.00 1.93 -0.05 1.20 0.00 0.00 0.00 173.10 176.18 2rpc s GLN 8 N 0.65 2.40 0.00 2.90 -1.52 -1.26 -5.13 119.66 117.69 2rpc s GLN 8 Ca -0.02 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 52.51 2rpc s GLN 8 Cb -0.05 -2.45 0.00 0.00 -0.22 0.00 0.00 33.01 30.29 2rpc s GLN 8 CO -0.05 0.54 0.00 -0.35 -0.25 0.00 0.00 175.29 175.18 2rpc n PRO 9 N 0.81 0.20 -3.35 2.91 -0.04 -1.26 -5.01 135.00 129.27 2rpc n PRO 9 Ca -0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.95 2rpc n PRO 9 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 2rpc n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2rpc s ILE 10 N -0.39 4.97 -0.13 0.52 1.01 -1.26 -5.08 121.20 120.84 2rpc s ILE 10 Ca 0.00 1.04 -0.03 0.00 0.00 0.00 0.00 60.65 61.66 2rpc s ILE 10 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2rpc s ILE 10 CO 0.00 0.48 -0.02 -1.59 0.00 0.00 0.00 174.94 173.82 2rpc s LYS 11 N -0.53 3.39 -0.14 2.79 -2.85 -1.26 -5.10 119.74 116.04 2rpc s LYS 11 Ca 0.27 -0.47 -0.13 0.00 -1.00 0.00 0.00 55.97 54.64 2rpc s LYS 11 Cb -0.17 -2.87 -0.05 0.00 -2.06 0.00 0.00 37.83 32.68 2rpc s LYS 11 CO 0.15 0.43 0.29 1.14 0.10 0.00 0.00 175.35 177.46 2rpc s GLN 12 N -0.15 4.15 -0.09 1.78 -2.07 -1.26 -5.08 119.66 116.94 2rpc s GLN 12 Ca 0.04 0.10 -0.15 0.00 -1.82 0.00 0.00 55.36 53.53 2rpc s GLN 12 Cb -0.13 -3.38 -0.05 0.00 -1.09 0.00 0.00 33.01 28.36 2rpc s GLN 12 CO 0.02 0.34 0.39 -1.21 -1.32 0.00 0.00 175.29 173.51 2rpc s GLU 13 N 0.17 4.15 0.49 9.60 2.02 -1.26 -4.47 118.70 129.39 2rpc s GLU 13 Ca 0.17 0.33 0.01 0.00 0.02 0.00 0.00 54.97 55.50 2rpc s GLU 13 Cb -0.13 -3.35 0.01 0.00 0.10 0.00 0.00 34.13 30.76 2rpc s GLU 13 CO 0.05 0.39 0.71 -0.51 0.02 0.00 0.00 175.26 175.91 2rpc s LEU 14 N -0.07 3.48 -0.06 1.80 1.43 -0.91 -4.93 118.68 119.43 2rpc s LEU 14 Ca 0.22 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2rpc s LEU 14 Cb -0.15 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.10 2rpc s LEU 14 CO 0.09 -0.90 -0.07 -0.94 0.23 0.00 0.00 176.35 174.76 2rpc s SER 15 N -4.32 1.41 -0.30 2.29 1.04 -1.26 -3.65 113.70 108.91 2rpc s SER 15 Ca 0.53 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.78 2rpc s SER 15 Cb -0.10 -0.63 0.08 0.00 0.10 0.00 0.00 66.02 65.47 2rpc s SER 15 CO 0.38 -0.04 -0.02 0.00 0.98 0.00 0.00 173.24 174.54 2rpc s LYS 17 N 1.06 2.93 -0.34 0.00 -0.14 -1.26 -3.26 119.74 118.73 2rpc s LYS 17 Ca 0.02 -1.81 -0.08 0.00 -1.36 0.00 0.00 55.97 52.73 2rpc s LYS 17 Cb -0.19 -4.22 0.03 0.00 -1.68 0.00 0.00 37.83 31.76 2rpc s LYS 17 CO -0.08 -1.29 0.14 -0.46 -0.76 0.00 0.00 175.35 172.90 2rpc s TRP 18 N 1.38 3.23 -0.37 3.18 -0.11 -1.26 -2.57 118.94 122.42 2rpc s TRP 18 Ca 0.05 -1.11 -0.02 0.00 1.22 0.00 0.00 56.10 56.24 2rpc s TRP 18 Cb -0.27 -2.34 0.09 0.00 -1.50 0.00 0.00 33.47 29.45 2rpc s TRP 18 CO 0.01 -0.65 0.13 0.42 -4.62 0.00 0.00 176.95 172.23 2rpc s ILE 19 N 1.49 3.06 -0.33 5.86 1.01 0.37 -2.41 121.20 130.25 2rpc s ILE 19 Ca 0.01 -1.92 -0.29 0.00 0.00 0.00 0.00 60.65 58.45 2rpc s ILE 19 Cb -0.19 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.27 2rpc s ILE 19 CO 0.04 -0.52 1.19 -0.62 0.00 0.00 0.00 174.94 175.03 2rpc s ASP 20 N 1.53 6.77 0.61 3.58 2.15 -1.26 -4.21 116.67 125.85 2rpc s ASP 20 Ca 0.05 1.04 0.30 0.00 0.43 0.00 0.00 52.55 54.37 2rpc s ASP 20 Cb -0.21 -2.54 1.72 0.00 -0.30 0.00 0.00 42.92 41.58 2rpc s ASP 20 CO -0.04 -1.03 2.09 -0.33 -0.17 0.00 0.00 175.17 175.69 2rpc h GLU 21 N 8.80 0.00 0.00 4.34 4.39 -1.98 0.30 114.58 130.44 2rpc h GLU 21 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2rpc h GLU 21 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2rpc h GLU 21 CO 1.05 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.90 2rpc n ALA 22 N -2.25 2.13 -0.70 3.43 0.00 -1.26 -4.83 120.51 117.04 2rpc n ALA 22 Ca 0.01 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 2rpc n ALA 22 Cb 0.33 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.27 0.97 -0.09 0.00 -2.07 0.11 -4.96 119.66 111.34 2rpc s GLN 23 Ca 0.24 1.53 0.13 0.00 -1.82 0.00 0.00 55.36 55.44 2rpc s GLN 23 Cb 0.13 -1.72 0.22 0.00 -1.09 0.00 0.00 33.01 30.55 2rpc s GLN 23 CO 0.26 -2.66 1.13 1.28 -1.32 0.00 0.00 175.29 173.98 2rpc n LEU 24 N -4.25 2.36 -4.59 2.60 4.77 -1.26 -5.02 117.00 111.60 2rpc n LEU 24 Ca 0.12 -2.75 -0.30 0.00 -0.03 0.00 0.00 56.01 53.05 2rpc n LEU 24 Cb 0.52 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 2rpc n LEU 24 CO 0.49 0.65 -0.41 -0.44 -1.33 0.00 0.00 177.39 176.36 2rpc s SER 25 N -2.25 4.49 -0.06 -1.43 0.01 -1.26 -5.13 113.70 108.07 2rpc s SER 25 Ca 0.23 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.10 2rpc s SER 25 Cb 0.20 -0.89 0.03 0.00 0.21 0.00 0.00 66.02 65.57 2rpc s SER 25 CO 0.03 0.17 0.14 -0.60 0.41 0.00 0.00 173.24 173.39 2rpc s ARG 26 N -2.25 0.11 0.95 12.44 3.00 -1.26 -3.77 118.95 128.17 2rpc s ARG 26 Ca 0.22 0.30 -0.12 0.00 -1.00 0.00 0.00 55.73 55.13 2rpc s ARG 26 Cb -0.11 -0.09 0.16 0.00 0.00 0.00 0.00 34.95 34.91 2rpc s ARG 26 CO 0.15 -0.11 1.09 -1.25 0.00 0.00 0.00 175.30 175.18 2rpc s PRO 27 N 0.76 0.83 1.03 5.12 0.04 -1.26 -5.11 135.00 136.42 2rpc s PRO 27 Ca -0.06 0.67 -0.24 0.00 0.04 0.00 0.00 61.00 61.41 2rpc s PRO 27 Cb -0.08 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2rpc s PRO 27 CO -0.04 -2.49 -0.97 1.63 0.04 0.00 0.00 177.00 175.17 2rpc n LYS 28 N -4.03 -0.46 -4.09 4.56 4.76 -1.25 -5.01 118.16 112.64 2rpc n LYS 28 Ca 0.06 -0.13 -0.14 0.00 -2.87 0.00 0.00 58.31 55.23 2rpc n LYS 28 Cb 0.56 -1.23 -0.14 0.00 -1.84 0.00 0.00 35.03 32.39 2rpc n LYS 28 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2rpc s LYS 29 N -2.47 0.36 -0.12 1.97 -2.85 -1.26 -5.08 119.74 110.29 2rpc s LYS 29 Ca 0.43 -0.25 -0.05 0.00 -1.00 0.00 0.00 55.97 55.09 2rpc s LYS 29 Cb 0.00 -0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 35.43 2rpc s LYS 29 CO 0.68 0.08 0.07 -1.54 0.10 0.00 0.00 175.35 174.74 2rpc s SER 30 N -0.36 5.78 0.59 0.03 1.04 -1.26 -4.23 113.70 115.28 2rpc s SER 30 Ca -0.01 0.26 0.33 0.00 0.48 0.00 0.00 55.95 57.01 2rpc s SER 30 Cb -0.03 -1.82 1.29 0.00 0.10 0.00 0.00 66.02 65.56 2rpc s SER 30 CO -0.00 0.34 1.55 0.00 0.98 0.00 0.00 173.24 176.11 2rpc n ASP 32 N -3.61 -5.15 -4.68 0.00 8.00 -1.24 -4.99 116.55 104.89 2rpc n ASP 32 Ca 0.25 -0.98 -0.29 0.00 0.71 0.00 0.00 54.79 54.48 2rpc n ASP 32 Cb 1.41 -3.56 -0.08 0.00 -0.02 0.00 0.00 41.12 38.88 2rpc n ASP 32 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2rpc s ARG 33 N -5.86 2.49 0.10 -1.24 6.06 -1.20 -5.02 118.95 114.28 2rpc s ARG 33 Ca 0.45 -0.94 0.01 0.00 -2.50 0.00 0.00 55.73 52.74 2rpc s ARG 33 Cb -0.15 -2.47 -0.04 0.00 0.06 0.00 0.00 34.95 32.35 2rpc s ARG 33 CO 0.85 0.51 -0.03 0.95 -2.50 0.00 0.00 175.30 175.07 2rpc s THR 34 N -1.45 0.49 0.26 4.11 -4.23 -1.26 -2.36 115.64 111.20 2rpc s THR 34 Ca 0.26 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 58.74 2rpc s THR 34 Cb -0.11 -1.73 -0.00 0.00 1.34 0.00 0.00 72.50 72.00 2rpc s THR 34 CO 0.18 -0.81 0.50 -0.36 -0.54 0.00 0.00 174.62 173.59 2rpc s PHE 35 N -3.76 0.37 -0.57 3.99 0.40 -1.24 -4.96 117.98 112.21 2rpc s PHE 35 Ca 0.13 -0.74 0.11 0.00 -0.60 0.00 0.00 56.93 55.83 2rpc s PHE 35 Cb 0.06 0.22 -0.10 0.00 0.51 0.00 0.00 43.02 43.72 2rpc s PHE 35 CO -0.04 -1.04 0.48 0.45 0.70 0.00 0.00 175.22 175.77 2rpc n SER 36 N -0.49 0.61 -3.91 1.36 2.88 -1.26 -2.14 113.62 110.66 2rpc n SER 36 Ca -0.02 -0.80 -0.10 0.00 -1.33 0.00 0.00 58.87 56.62 2rpc n SER 36 Cb 0.62 0.93 -0.09 0.00 -0.75 0.00 0.00 64.21 64.91 2rpc n SER 36 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2rpc s THR 37 N -1.94 0.12 0.10 2.46 -4.23 -1.26 -4.50 115.64 106.40 2rpc s THR 37 Ca 0.05 -1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 59.25 2rpc s THR 37 Cb 0.08 -0.81 -0.11 0.00 1.34 0.00 0.00 72.50 73.00 2rpc s THR 37 CO 0.42 -0.56 1.62 -0.03 -0.54 0.00 0.00 174.62 175.53 2rpc h MET 38 N 3.76 -0.62 -0.84 3.99 4.05 -1.95 -2.36 114.93 120.97 2rpc h MET 38 Ca -0.32 0.04 0.21 0.00 -0.28 0.00 0.00 59.70 59.35 2rpc h MET 38 Cb 1.19 0.14 -0.14 0.00 -0.80 0.00 0.00 31.60 31.98 2rpc h MET 38 CO 0.48 -0.41 0.11 1.25 0.23 0.00 0.00 176.91 178.57 2rpc h HIS 39 N -0.64 0.12 -0.78 1.39 -0.00 -1.99 0.72 115.15 113.98 2rpc h HIS 39 Ca -0.00 0.06 0.10 0.00 -0.00 0.00 0.00 60.37 60.52 2rpc h HIS 39 Cb 0.61 0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 28.05 2rpc h HIS 39 CO -0.23 -0.26 0.51 0.93 -0.00 0.00 0.00 177.93 178.88 2rpc h GLU 40 N 0.13 0.68 0.31 5.26 4.39 -1.85 -0.48 114.58 123.02 2rpc h GLU 40 Ca 0.50 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.15 2rpc h GLU 40 Cb 0.97 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2rpc h GLU 40 CO -0.70 0.45 -0.15 1.25 -1.16 0.00 0.00 179.01 178.70 2rpc h LEU 41 N 0.70 -0.35 -0.13 1.33 5.85 0.65 -3.01 115.31 120.35 2rpc h LEU 41 Ca 0.36 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2rpc h LEU 41 Cb 0.46 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 2rpc h LEU 41 CO -0.13 0.12 -0.42 0.58 -0.34 0.00 0.00 178.44 178.25 2rpc h VAL 42 N -1.01 0.15 -0.74 1.05 2.07 -0.97 0.34 116.25 117.14 2rpc h VAL 42 Ca -0.04 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.69 2rpc h VAL 42 Cb 0.46 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2rpc h VAL 42 CO 0.07 0.00 0.62 0.74 0.02 0.00 0.00 177.57 179.02 2rpc h THR 43 N -0.49 0.44 0.00 2.57 2.02 -1.21 0.31 112.91 116.54 2rpc h THR 43 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2rpc h THR 43 Cb 0.63 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2rpc h THR 43 CO -0.40 0.00 -0.11 -0.74 0.37 0.00 0.00 175.52 174.65 2rpc h HIS 44 N 0.00 0.00 -0.10 3.16 -0.00 -0.58 -0.50 115.15 117.14 2rpc h HIS 44 Ca 0.35 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.75 2rpc h HIS 44 Cb 1.59 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.99 2rpc h HIS 44 CO 0.00 0.00 0.31 0.28 -0.00 0.00 0.00 177.93 178.52 2rpc h VAL 45 N -0.72 0.12 0.00 5.26 2.07 -0.07 2.27 116.25 125.18 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 0.11 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2rpc h VAL 45 CO 0.00 0.00 -1.04 0.41 0.02 0.00 0.00 177.57 176.96 2rpc n THR 46 N -3.16 1.48 -0.09 2.57 -1.04 0.10 -1.78 114.28 112.36 2rpc n THR 46 Ca 0.00 0.07 -0.20 0.00 -2.04 0.00 0.00 64.05 61.88 2rpc n THR 46 Cb 0.39 -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 -0.72 2.02 114.93 115.27 2rpc h MET 47 Ca -0.17 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2rpc h MET 47 Cb 0.93 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2rpc h MET 47 CO -0.10 1.01 0.00 0.39 1.06 0.00 0.00 176.91 179.26 2rpc n GLU 48 N -4.44 0.54 0.00 1.72 -0.58 0.73 -2.33 120.64 116.28 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 0.65 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 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 -0.82 -0.21 0.83 -0.32 8.25 0.82 -4.81 115.22 118.95 2rpc n HIS 49 Ca 0.08 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.62 2rpc n HIS 49 Cb 0.04 0.31 0.42 0.00 1.12 0.00 0.00 29.99 31.88 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 -1.94 0.29 -4.63 1.59 0.31 0.33 -4.95 118.33 109.33 2rpc n VAL 50 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2rpc n VAL 50 Cb 0.00 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 -0.03 -0.55 0.00 2.92 0.00 0.66 -4.79 105.19 103.39 2rpc n GLY 51 Ca 0.09 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 1.64 0.00 -0.02 0.00 -1.26 -3.50 105.19 102.05 2rpc n GLY 52 Ca 0.00 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.35 0.49 0.03 1.61 -0.04 -1.26 -2.53 135.00 132.95 2rpc n PRO 53 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2rpc n PRO 53 Cb 0.00 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 31.90 2rpc n PRO 53 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2rpc h GLU 54 N 0.00 0.16 -6.52 0.54 5.08 -1.95 -3.46 114.58 108.42 2rpc h GLU 54 Ca 0.00 -0.27 -0.60 0.00 -1.00 0.00 0.00 59.36 57.49 2rpc h GLU 54 Cb 0.00 0.10 0.08 0.00 0.50 0.00 0.00 28.75 29.43 2rpc h GLU 54 CO 0.00 0.95 0.50 1.04 -1.00 0.00 0.00 179.01 180.50 2rpc n GLN 55 N -3.34 1.78 0.00 2.33 1.13 -1.05 -4.95 117.38 113.28 2rpc n GLN 55 Ca -0.17 0.63 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 2rpc n GLN 55 Cb 1.03 -2.23 0.00 0.00 0.11 0.00 0.00 30.24 29.15 2rpc n GLN 55 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2rpc n ASN 56 N 2.03 0.00 -4.71 1.08 2.85 -1.26 -4.82 115.26 110.42 2rpc n ASN 56 Ca 0.12 0.47 -0.40 0.00 -0.11 0.00 0.00 54.58 54.66 2rpc n ASN 56 Cb 0.30 -0.42 -0.05 0.00 1.24 0.00 0.00 39.78 40.86 2rpc n ASN 56 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2rpc s ASN 57 N -2.59 6.99 -0.41 1.20 3.04 -1.26 -5.04 114.94 116.87 2rpc s ASN 57 Ca 0.00 1.20 -0.10 0.00 0.04 0.00 0.00 52.86 53.99 2rpc s ASN 57 Cb 0.00 -2.42 0.06 0.00 -1.54 0.00 0.00 41.25 37.35 2rpc s ASN 57 CO 0.00 -0.16 0.26 -1.00 -3.04 0.00 0.00 177.10 173.17 2rpc s HIS 58 N 0.99 3.30 -0.02 0.43 3.76 -1.26 -5.06 115.29 117.43 2rpc s HIS 58 Ca 0.38 -1.30 0.01 0.00 -0.15 0.00 0.00 55.06 53.99 2rpc s HIS 58 Cb -0.18 -2.84 0.01 0.00 1.11 0.00 0.00 32.58 30.68 2rpc s HIS 58 CO 0.18 -0.79 -0.02 0.08 -0.85 0.00 0.00 174.74 173.34 2rpc s VAL 59 N 1.49 0.24 -0.29 -0.90 1.01 -1.26 -4.11 120.40 116.58 2rpc s VAL 59 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 2rpc s VAL 59 Cb -0.22 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 35.91 2rpc s VAL 59 CO 0.04 0.12 0.05 0.00 0.00 0.00 0.00 175.10 175.30 2rpc s TYR 61 N 1.44 3.41 0.14 0.00 1.51 -1.26 -4.13 117.35 118.45 2rpc s TYR 61 Ca 0.01 -1.52 -0.14 0.00 -1.01 0.00 0.00 57.07 54.41 2rpc s TYR 61 Cb -0.17 -3.79 -0.07 0.00 -0.11 0.00 0.00 41.96 37.81 2rpc s TYR 61 CO 0.01 -1.01 0.53 -0.46 -1.11 0.00 0.00 175.55 173.51 2rpc s TRP 62 N 1.17 3.60 0.63 2.71 -0.11 -1.26 0.14 118.94 125.82 2rpc s TRP 62 Ca 0.07 1.03 0.18 0.00 1.22 0.00 0.00 56.10 58.60 2rpc s TRP 62 Cb -0.24 -2.34 0.77 0.00 -1.50 0.00 0.00 33.47 30.15 2rpc s TRP 62 CO -0.01 0.43 1.36 1.49 -4.62 0.00 0.00 176.95 175.61 2rpc h GLU 63 N 3.54 0.00 -0.02 5.86 4.22 -1.76 -1.72 114.58 124.70 2rpc h GLU 63 Ca -0.49 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 58.80 2rpc h GLU 63 Cb 1.19 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.28 2rpc h GLU 63 CO 0.66 0.00 -0.37 -1.91 -2.18 0.00 0.00 179.01 175.21 2rpc n GLU 64 N -2.99 0.50 -1.53 1.92 2.13 -1.26 -5.00 120.64 114.41 2rpc n GLU 64 Ca 0.09 -1.23 -0.51 0.00 0.66 0.00 0.00 57.16 56.17 2rpc n GLU 64 Cb 1.07 0.36 -0.05 0.00 0.27 0.00 0.00 31.44 33.09 2rpc n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rpc n PRO 66 N 1.62 0.19 0.02 0.00 -0.04 -1.26 -2.37 135.00 133.16 2rpc n PRO 66 Ca 0.17 0.42 0.05 0.00 -0.04 0.00 0.00 63.50 64.10 2rpc n PRO 66 Cb 0.20 -1.86 -0.10 0.00 -0.04 0.00 0.00 33.50 31.71 2rpc n PRO 66 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rpc n ARG 67 N -2.22 0.64 -2.12 0.54 1.74 -1.26 -4.98 116.66 108.99 2rpc n ARG 67 Ca 0.02 0.05 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 2rpc n ARG 67 Cb 0.22 -1.69 -0.00 0.00 -1.02 0.00 0.00 32.46 29.97 2rpc n ARG 67 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2rpc n GLU 68 N -2.63 -0.51 -2.64 5.56 1.02 -1.00 -3.86 120.64 116.58 2rpc n GLU 68 Ca -0.08 0.31 -0.10 0.00 -0.02 0.00 0.00 57.16 57.27 2rpc n GLU 68 Cb 0.73 -4.16 0.05 0.00 -0.02 0.00 0.00 31.44 28.03 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 -1.01 -0.39 3.54 0.62 0.00 -1.26 -5.01 105.19 101.69 2rpc n GLY 69 Ca -0.08 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.96 3.74 0.75 1.61 -0.14 -1.25 -4.93 119.74 115.55 2rpc s LYS 70 Ca 0.27 -0.46 -0.16 0.00 -1.36 0.00 0.00 55.97 54.26 2rpc s LYS 70 Cb -0.04 -3.64 -0.06 0.00 -1.68 0.00 0.00 37.83 32.41 2rpc s LYS 70 CO 0.47 -0.27 0.23 -1.13 -0.76 0.00 0.00 175.35 173.90 2rpc n SER 71 N 5.05 -2.33 -4.69 2.83 3.41 -1.26 -4.90 113.62 111.73 2rpc n SER 71 Ca -0.14 0.52 -0.25 0.00 -0.26 0.00 0.00 58.87 58.74 2rpc n SER 71 Cb 0.51 -1.10 -0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2rpc n SER 71 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2rpc n PHE 72 N -2.39 -0.48 1.05 7.33 3.01 -1.26 -5.04 117.46 119.69 2rpc n PHE 72 Ca 0.08 -2.23 0.11 0.00 1.01 0.00 0.00 57.45 56.42 2rpc n PHE 72 Cb 0.51 -0.42 0.08 0.00 -0.01 0.00 0.00 39.48 39.64 2rpc n PHE 72 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2rpc n LYS 73 N -1.68 0.51 -3.76 -1.08 5.02 -1.26 -4.99 118.16 110.91 2rpc n LYS 73 Ca -0.04 -0.38 -0.05 0.00 -2.02 0.00 0.00 58.31 55.82 2rpc n LYS 73 Cb 0.60 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 2rpc n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rpc s ALA 74 N -2.75 -1.53 0.01 7.82 0.00 -1.26 -5.03 121.76 119.01 2rpc s ALA 74 Ca 0.15 0.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.90 2rpc s ALA 74 Cb 0.18 0.70 -0.18 0.00 0.00 0.00 0.00 23.12 23.81 2rpc s ALA 74 CO 0.68 -1.02 1.33 -0.22 0.00 0.00 0.00 175.76 176.53 2rpc h LYS 75 N 2.00 -0.15 -0.12 0.00 1.63 -1.97 -2.94 116.57 115.02 2rpc h LYS 75 Ca -0.23 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.62 2rpc h LYS 75 Cb 1.24 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2rpc h LYS 75 CO 0.25 0.20 0.10 0.10 -3.45 0.00 0.00 179.45 176.66 2rpc h TYR 76 N -0.51 0.00 -0.81 1.91 -0.00 -1.97 0.44 116.97 116.02 2rpc h TYR 76 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.68 2rpc h TYR 76 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.10 2rpc h TYR 76 CO 0.04 0.00 0.37 0.87 -0.00 0.00 0.00 178.16 179.44 2rpc h LYS 77 N 0.00 1.19 0.01 0.10 1.79 -1.92 -1.88 116.57 115.86 2rpc h LYS 77 Ca 0.06 -0.19 -0.13 0.00 -2.18 0.00 0.00 60.65 58.21 2rpc h LYS 77 Cb 0.27 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2rpc h LYS 77 CO -0.00 0.93 -0.69 1.25 -1.08 0.00 0.00 179.45 179.86 2rpc h LEU 78 N 1.16 0.04 -1.88 2.94 5.85 -1.20 -3.25 115.31 118.97 2rpc h LEU 78 Ca 0.28 -0.77 0.29 0.00 0.84 0.00 0.00 57.88 58.52 2rpc h LEU 78 Cb 0.15 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2rpc h LEU 78 CO -0.03 1.28 0.73 0.58 -0.34 0.00 0.00 178.44 180.66 2rpc h VAL 79 N -0.93 0.50 -0.01 1.05 2.07 -0.99 0.42 116.25 118.35 2rpc h VAL 79 Ca -0.18 -0.03 -0.22 0.00 0.82 0.00 0.00 66.70 67.09 2rpc h VAL 79 Cb 1.21 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2rpc h VAL 79 CO -0.08 0.01 -0.93 0.78 0.02 0.00 0.00 177.57 177.37 2rpc h ASN 80 N 0.08 0.55 -0.65 0.57 2.35 -1.46 -3.26 115.58 113.76 2rpc h ASN 80 Ca 0.51 -0.43 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 2rpc h ASN 80 Cb 1.88 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 40.05 2rpc h ASN 80 CO -0.06 1.23 0.18 -0.74 -1.65 0.00 0.00 177.43 176.39 2rpc h HIS 81 N 0.25 1.08 -0.68 1.19 -0.00 -0.23 -2.45 115.15 114.30 2rpc h HIS 81 Ca -0.08 -0.12 0.20 0.00 -0.00 0.00 0.00 60.37 60.37 2rpc h HIS 81 Cb 1.56 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 28.63 2rpc h HIS 81 CO 0.06 0.89 0.58 0.82 -0.00 0.00 0.00 177.93 180.27 2rpc h ILE 82 N 0.96 0.46 0.00 6.26 2.04 -1.40 0.42 117.51 126.25 2rpc h ILE 82 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 2rpc h ILE 82 Cb 0.34 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2rpc h ILE 82 CO -0.00 0.00 -0.16 0.03 0.00 0.00 0.00 178.15 178.02 2rpc h ARG 83 N 0.00 0.00 0.00 2.37 2.47 -1.55 -1.46 114.38 116.20 2rpc h ARG 83 Ca 0.32 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.02 2rpc h ARG 83 Cb 1.47 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2rpc h ARG 83 CO -0.00 0.16 -0.12 -0.39 0.56 0.00 0.00 179.97 180.18 2rpc h VAL 84 N 0.00 0.34 0.00 2.04 -1.51 -0.28 -1.69 116.25 115.14 2rpc h VAL 84 Ca -0.00 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 2rpc h VAL 84 Cb 0.29 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2rpc h VAL 84 CO 0.02 0.11 0.00 1.41 -1.23 0.00 0.00 177.57 177.88 2rpc n HIS 85 N -3.32 0.55 -0.10 5.19 8.25 -0.55 -3.81 115.22 121.43 2rpc n HIS 85 Ca -0.00 0.19 -0.21 0.00 -0.26 0.00 0.00 57.72 57.44 2rpc n HIS 85 Cb 0.33 -0.81 -0.07 0.00 1.12 0.00 0.00 29.99 30.56 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 -1.98 1.10 -2.63 1.59 -2.24 -0.83 -5.03 114.28 104.25 2rpc n THR 86 Ca 0.04 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.51 2rpc n THR 86 Cb 0.30 -1.78 0.01 0.00 -2.10 0.00 0.00 70.33 66.77 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 1.76 0.63 3.37 3.38 0.00 -0.70 -5.04 105.19 108.59 2rpc n GLY 87 Ca -0.39 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 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 -5.08 3.31 0.02 1.61 2.12 -1.26 -5.09 118.70 114.34 2rpc s GLU 88 Ca 0.09 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.75 2rpc s GLU 88 Cb -0.04 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 2rpc s GLU 88 CO 0.13 -0.33 -0.10 0.15 -0.54 0.00 0.00 175.26 174.57 2rpc s LYS 89 N 1.54 0.74 -0.02 4.30 -0.14 -1.26 -4.67 119.74 120.23 2rpc s LYS 89 Ca 0.04 -0.57 -0.25 0.00 -1.36 0.00 0.00 55.97 53.83 2rpc s LYS 89 Cb -0.16 -0.69 -0.19 0.00 -1.68 0.00 0.00 37.83 35.11 2rpc s LYS 89 CO 0.02 0.17 1.20 -1.00 -0.76 0.00 0.00 175.35 174.99 2rpc h PRO 90 N 5.24 -0.09 -2.33 -1.68 0.13 -1.87 -3.47 132.00 127.93 2rpc h PRO 90 Ca -0.34 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.72 2rpc h PRO 90 Cb 1.19 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 2rpc h PRO 90 CO 0.46 0.36 -0.02 -0.59 -0.23 0.00 0.00 178.00 177.98 2rpc s PHE 91 N -4.19 -0.60 0.00 1.56 -0.12 -1.26 -5.17 117.98 108.20 2rpc s PHE 91 Ca -0.15 1.38 0.00 0.00 -0.05 0.00 0.00 56.93 58.11 2rpc s PHE 91 Cb 0.02 0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 2rpc s PHE 91 CO 0.62 -0.36 0.00 -0.35 -0.05 0.00 0.00 175.22 175.08 2rpc n PRO 92 N 2.33 0.24 -3.27 1.99 -0.04 -1.26 -4.27 135.00 130.72 2rpc n PRO 92 Ca -0.15 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.92 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 h PRO 94 N 5.55 0.00 -6.52 0.00 0.13 -1.95 -3.44 132.00 125.77 2rpc h PRO 94 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 2rpc h PRO 94 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 2rpc h PRO 94 CO 0.69 0.14 0.80 0.12 -0.23 0.00 0.00 178.00 179.51 2rpc s PHE 95 N -3.75 3.06 0.02 1.56 2.19 -1.26 -4.96 117.98 114.84 2rpc s PHE 95 Ca 0.00 0.80 -0.30 0.00 0.33 0.00 0.00 56.93 57.76 2rpc s PHE 95 Cb 0.10 -3.76 -0.06 0.00 -1.31 0.00 0.00 43.02 38.00 2rpc s PHE 95 CO 0.59 -2.75 1.43 -1.25 1.83 0.00 0.00 175.22 175.07 2rpc s PRO 96 N 1.46 4.28 0.00 10.12 0.04 -1.26 -2.45 135.00 147.19 2rpc s PRO 96 Ca 0.66 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2rpc s PRO 96 Cb -0.38 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2rpc s PRO 96 CO 0.30 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2rpc n GLY 97 N 3.67 1.37 0.08 0.56 0.00 -1.26 -4.88 105.19 104.73 2rpc n GLY 97 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 1.44 -0.22 3.85 0.00 0.00 -1.26 -4.85 105.19 104.15 2rpc n GLY 99 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.25 3.97 0.03 1.61 2.47 -1.26 -4.85 119.74 118.46 2rpc s LYS 100 Ca 0.00 0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.93 2rpc s LYS 100 Cb 0.00 -2.73 -0.02 0.00 -1.46 0.00 0.00 37.83 33.61 2rpc s LYS 100 CO 0.00 0.35 -0.03 0.42 0.16 0.00 0.00 175.35 176.25 2rpc s ILE 101 N -1.69 0.18 -0.02 5.43 1.01 -1.26 0.23 121.20 125.08 2rpc s ILE 101 Ca 0.45 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 60.00 2rpc s ILE 101 Cb -0.13 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.79 2rpc s ILE 101 CO 0.20 -0.59 -0.06 -0.36 0.00 0.00 0.00 174.94 174.12 2rpc s PHE 102 N -1.97 0.74 -1.89 3.97 0.40 -1.26 -4.99 117.98 112.98 2rpc s PHE 102 Ca -0.11 -0.18 0.17 0.00 -0.60 0.00 0.00 56.93 56.22 2rpc s PHE 102 Cb -0.06 -0.56 0.98 0.00 0.51 0.00 0.00 43.02 43.89 2rpc s PHE 102 CO -0.03 -0.10 1.43 0.00 0.70 0.00 0.00 175.22 177.23 2rpc n ALA 103 N 3.44 2.09 -3.36 5.36 0.00 -1.26 -4.37 120.51 122.40 2rpc n ALA 103 Ca -0.19 -0.10 -0.24 0.00 0.00 0.00 0.00 53.44 52.90 2rpc n ALA 103 Cb 0.54 -1.28 -0.16 0.00 0.00 0.00 0.00 19.45 18.55 2rpc n ALA 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2rpc s ARG 104 N -2.11 1.62 0.09 0.00 0.52 -1.26 -4.79 118.95 113.01 2rpc s ARG 104 Ca 0.24 -0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 54.72 2rpc s ARG 104 Cb 0.12 -1.36 -0.15 0.00 0.52 0.00 0.00 34.95 34.07 2rpc s ARG 104 CO 0.21 0.06 1.62 0.66 0.02 0.00 0.00 175.30 177.87 2rpc h SER 105 N 6.84 -0.84 -0.91 0.23 4.64 -1.97 -2.51 113.55 119.03 2rpc h SER 105 Ca -0.31 0.06 0.23 0.00 -0.47 0.00 0.00 61.79 61.30 2rpc h SER 105 Cb 1.18 0.26 -0.13 0.00 -0.31 0.00 0.00 62.40 63.41 2rpc h SER 105 CO 0.48 -0.49 0.40 -0.08 -0.87 0.00 0.00 176.83 176.26 2rpc h GLU 106 N -0.76 0.36 -0.85 4.77 4.81 -1.97 0.28 114.58 121.22 2rpc h GLU 106 Ca -0.05 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2rpc h GLU 106 Cb 0.64 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.86 2rpc h GLU 106 CO 0.02 0.24 0.49 -0.91 -0.73 0.00 0.00 179.01 178.12 2rpc h ASN 107 N 0.37 0.68 -0.29 1.04 4.21 -1.85 0.47 115.58 120.20 2rpc h ASN 107 Ca 0.58 0.06 -0.07 0.00 1.21 0.00 0.00 56.30 58.08 2rpc h ASN 107 Cb 1.14 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.26 2rpc h ASN 107 CO -0.55 0.36 -0.09 0.25 -1.29 0.00 0.00 177.43 176.11 2rpc h LEU 108 N 0.78 0.59 -1.07 1.61 5.85 -0.30 0.90 115.31 123.67 2rpc h LEU 108 Ca 0.43 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2rpc h LEU 108 Cb 0.45 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2rpc h LEU 108 CO -0.27 0.83 0.53 0.11 -0.34 0.00 0.00 178.44 179.29 2rpc h LYS 109 N 0.34 1.16 0.01 1.25 1.79 -0.58 0.17 116.57 120.71 2rpc h LYS 109 Ca 0.07 -0.10 -0.19 0.00 -2.18 0.00 0.00 60.65 58.25 2rpc h LYS 109 Cb 0.58 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 2rpc h LYS 109 CO 0.03 0.81 -0.90 0.82 -1.08 0.00 0.00 179.45 179.13 2rpc h ILE 110 N 1.19 1.61 0.00 1.86 2.04 -0.83 -2.93 117.51 120.45 2rpc h ILE 110 Ca 0.31 -2.97 -0.03 0.00 1.00 0.00 0.00 64.86 63.17 2rpc h ILE 110 Cb -0.07 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2rpc h ILE 110 CO -0.06 0.85 -0.15 -0.74 0.00 0.00 0.00 178.15 178.05 2rpc h HIS 111 N 0.02 0.00 0.20 1.37 2.76 -0.23 -3.15 115.15 116.12 2rpc h HIS 111 Ca -0.02 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.84 2rpc h HIS 111 Cb 1.57 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.56 2rpc h HIS 111 CO 0.01 0.15 -1.42 0.87 -1.30 0.00 0.00 177.93 176.23 2rpc h LYS 112 N 0.00 0.42 0.00 5.26 1.57 -0.65 -3.20 116.57 119.97 2rpc h LYS 112 Ca -0.00 -0.71 -0.06 0.00 -1.87 0.00 0.00 60.65 58.01 2rpc h LYS 112 Cb 1.01 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2rpc h LYS 112 CO 0.02 1.33 -0.28 0.07 -0.57 0.00 0.00 179.45 180.02 2rpc h ARG 113 N 0.11 0.00 0.00 3.15 0.11 -1.54 -2.44 114.38 113.77 2rpc h ARG 113 Ca -0.22 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.74 2rpc h ARG 113 Cb 2.09 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 33.15 2rpc h ARG 113 CO 0.24 0.28 -0.55 0.00 0.10 0.00 0.00 179.97 180.04 2rpc h THR 114 N 0.00 1.11 0.53 0.08 1.03 -1.60 -3.32 112.91 110.73 2rpc h THR 114 Ca -0.00 -2.11 -0.02 0.00 -0.01 0.00 0.00 66.41 64.26 2rpc h THR 114 Cb 0.56 2.24 -0.00 0.00 -1.07 0.00 0.00 68.15 69.88 2rpc h THR 114 CO 0.04 0.54 -0.34 0.45 -0.01 0.00 0.00 175.52 176.20 2rpc h HIS 115 N 0.00 -0.90 -0.93 0.00 3.86 -1.42 -3.38 115.15 112.38 2rpc h HIS 115 Ca -0.01 -0.01 -0.68 0.00 -1.16 0.00 0.00 60.37 58.52 2rpc h HIS 115 Cb 1.20 0.32 0.07 0.00 1.06 0.00 0.00 27.41 30.07 2rpc h HIS 115 CO 0.00 -0.50 -0.21 -2.37 0.86 0.00 0.00 177.93 175.71 2rpc n THR 116 N -4.47 0.91 0.00 2.45 5.66 -1.24 -0.98 114.28 116.60 2rpc n THR 116 Ca -0.10 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 2rpc n THR 116 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 1.62 2.13 3.67 1.09 0.00 -1.26 -4.96 105.19 107.48 2rpc n GLY 117 Ca 0.18 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2rpc n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rpc s GLU 118 N 0.00 4.31 0.32 1.61 2.56 -0.15 -5.04 118.70 122.30 2rpc s GLU 118 Ca 0.00 1.29 -0.01 0.00 0.00 0.00 0.00 54.97 56.24 2rpc s GLU 118 Cb 0.00 -3.60 -0.04 0.00 2.00 0.00 0.00 34.13 32.49 2rpc s GLU 118 CO 0.00 -0.48 0.53 0.15 -0.56 0.00 0.00 175.26 174.90 2rpc s LYS 119 N 2.65 3.53 0.01 4.30 -0.14 -1.26 -4.84 119.74 123.99 2rpc s LYS 119 Ca 0.44 -0.24 -0.23 0.00 -1.36 0.00 0.00 55.97 54.58 2rpc s LYS 119 Cb -0.16 -2.68 -0.17 0.00 -1.68 0.00 0.00 37.83 33.14 2rpc s LYS 119 CO 0.11 0.19 1.32 -1.00 -0.76 0.00 0.00 175.35 175.20 2rpc h PRO 120 N 1.14 0.21 -5.44 -1.68 0.13 -1.92 -3.43 132.00 121.01 2rpc h PRO 120 Ca -0.49 -0.11 -0.60 0.00 -0.87 0.00 0.00 66.00 63.93 2rpc h PRO 120 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2rpc h PRO 120 CO 0.63 0.63 -0.14 -0.06 -0.23 0.00 0.00 178.00 178.84 2rpc s PHE 121 N -4.30 3.36 -0.04 1.56 0.40 -0.35 -5.00 117.98 113.61 2rpc s PHE 121 Ca -0.15 0.66 0.06 0.00 -0.60 0.00 0.00 56.93 56.89 2rpc s PHE 121 Cb 0.04 -2.59 -0.01 0.00 0.51 0.00 0.00 43.02 40.97 2rpc s PHE 121 CO 0.72 -0.07 -0.21 0.21 0.70 0.00 0.00 175.22 176.57 2rpc s LYS 122 N 1.53 2.09 -0.50 0.44 2.47 -1.26 0.11 119.74 124.62 2rpc s LYS 122 Ca 0.21 -0.77 -0.45 0.00 -1.56 0.00 0.00 55.97 53.39 2rpc s LYS 122 Cb -0.15 -1.84 -0.19 0.00 -1.46 0.00 0.00 37.83 34.19 2rpc s LYS 122 CO 0.09 0.35 1.86 0.00 0.16 0.00 0.00 175.35 177.81 2rpc n GLU 124 N 5.72 0.05 -2.23 0.00 0.28 -1.26 -4.66 120.64 118.54 2rpc n GLU 124 Ca 0.43 0.43 -0.42 0.00 -0.16 0.00 0.00 57.16 57.43 2rpc n GLU 124 Cb -0.05 -1.63 -0.03 0.00 1.43 0.00 0.00 31.44 31.16 2rpc n GLU 124 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2rpc s PHE 125 N -3.14 2.70 0.61 -1.84 5.36 -1.26 -4.99 117.98 115.42 2rpc s PHE 125 Ca 0.03 0.75 -0.18 0.00 -0.96 0.00 0.00 56.93 56.57 2rpc s PHE 125 Cb 0.06 -3.67 -0.03 0.00 -0.34 0.00 0.00 43.02 39.04 2rpc s PHE 125 CO 0.18 -2.53 1.17 -2.00 -1.46 0.00 0.00 175.22 170.59 2rpc s GLU 126 N 2.91 2.92 -0.25 10.12 2.12 -1.26 -2.70 118.70 132.56 2rpc s GLU 126 Ca 0.64 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.67 2rpc s GLU 126 Cb -0.30 -1.94 0.00 0.00 0.26 0.00 0.00 34.13 32.16 2rpc s GLU 126 CO 0.25 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.16 2rpc n GLY 127 N 0.26 0.39 3.55 -1.50 0.00 -1.26 -4.98 105.19 101.65 2rpc n GLY 127 Ca 0.13 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.10 3.97 0.36 0.00 1.01 -1.26 -4.92 116.67 113.74 2rpc s ASP 129 Ca 0.20 -1.26 -0.03 0.00 0.71 0.00 0.00 52.55 52.17 2rpc s ASP 129 Cb -0.11 -1.24 0.01 0.00 1.01 0.00 0.00 42.92 42.60 2rpc s ASP 129 CO 0.12 -0.24 0.52 -0.13 0.21 0.00 0.00 175.17 175.64 2rpc s ARG 130 N 1.34 2.01 -0.23 8.23 1.81 -1.26 -5.04 118.95 125.81 2rpc s ARG 130 Ca -0.05 -1.79 -0.12 0.00 -1.72 0.00 0.00 55.73 52.05 2rpc s ARG 130 Cb -0.19 0.46 0.07 0.00 -0.45 0.00 0.00 34.95 34.85 2rpc s ARG 130 CO -0.07 -0.85 0.55 -0.98 -0.68 0.00 0.00 175.30 173.27 2rpc s ARG 131 N -2.84 0.53 0.04 3.54 3.03 -1.26 -4.42 118.95 117.58 2rpc s ARG 131 Ca 0.30 1.04 0.00 0.00 2.03 0.00 0.00 55.73 59.10 2rpc s ARG 131 Cb -0.01 0.13 -0.03 0.00 -1.03 0.00 0.00 34.95 34.01 2rpc s ARG 131 CO 0.21 -0.16 -0.04 -0.06 -1.13 0.00 0.00 175.30 174.12 2rpc s PHE 132 N 1.70 0.46 -0.61 5.89 0.08 0.12 -5.01 117.98 120.60 2rpc s PHE 132 Ca -0.09 -0.76 0.15 0.00 0.12 0.00 0.00 56.93 56.36 2rpc s PHE 132 Cb -0.07 -0.31 -0.17 0.00 -0.57 0.00 0.00 43.02 41.89 2rpc s PHE 132 CO -0.16 -0.24 0.59 0.00 -0.10 0.00 0.00 175.22 175.31 2rpc n ALA 133 N 0.90 3.76 -3.57 5.36 0.00 -1.26 -1.21 120.51 124.49 2rpc n ALA 133 Ca -0.19 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.68 2rpc n ALA 133 Cb 0.58 -0.54 -0.16 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.62 0.10 0.33 0.00 2.20 -1.26 -4.79 114.94 108.90 2rpc s ASN 134 Ca 0.04 0.02 0.12 0.00 -0.94 0.00 0.00 52.86 52.11 2rpc s ASN 134 Cb 0.11 -0.07 1.00 0.00 -2.00 0.00 0.00 41.25 40.28 2rpc s ASN 134 CO 0.62 -0.10 1.70 -1.28 -2.94 0.00 0.00 177.10 175.10 2rpc h SER 135 N 7.04 0.59 -0.19 3.54 0.87 -1.98 -0.03 113.55 123.40 2rpc h SER 135 Ca -0.41 0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.36 2rpc h SER 135 Cb 1.14 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 63.11 2rpc h SER 135 CO 0.49 -0.01 -0.27 0.77 -0.53 0.00 0.00 176.83 177.27 2rpc h SER 136 N 0.45 -0.87 -0.84 6.23 4.64 -1.99 -0.31 113.55 120.86 2rpc h SER 136 Ca 0.69 0.14 0.04 0.00 -0.47 0.00 0.00 61.79 62.19 2rpc h SER 136 Cb 1.46 0.39 -0.05 0.00 -0.31 0.00 0.00 62.40 63.89 2rpc h SER 136 CO -0.53 -0.31 0.55 -0.78 -0.87 0.00 0.00 176.83 174.89 2rpc h ASP 137 N -0.31 0.87 -0.07 4.97 1.82 -1.44 -2.16 116.42 120.11 2rpc h ASP 137 Ca 0.12 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2rpc h ASP 137 Cb 0.50 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.30 2rpc h ASP 137 CO -0.37 0.59 0.05 -0.09 -1.61 0.00 0.00 179.24 177.81 2rpc h ARG 138 N 1.01 0.10 0.00 0.28 2.43 -0.76 -1.82 114.38 115.62 2rpc h ARG 138 Ca 0.34 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2rpc h ARG 138 Cb 0.08 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2rpc h ARG 138 CO -0.11 0.10 -0.04 0.87 -1.51 0.00 0.00 179.97 179.29 2rpc h LYS 139 N 0.07 0.00 0.00 0.20 6.56 -0.65 -0.78 116.57 121.96 2rpc h LYS 139 Ca 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 2rpc h LYS 139 Cb 0.02 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.68 2rpc h LYS 139 CO -0.01 0.04 -0.04 0.87 -2.06 0.00 0.00 179.45 178.25 2rpc h LYS 140 N 0.00 0.00 -0.01 3.15 1.57 -0.71 -2.91 116.57 117.66 2rpc h LYS 140 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rpc h LYS 140 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2rpc h LYS 140 CO 0.00 0.04 -0.05 1.58 -0.57 0.00 0.00 179.45 180.45 2rpc n HIS 141 N -3.12 0.00 0.11 -1.35 -0.00 -0.30 -3.40 115.22 107.16 2rpc n HIS 141 Ca 0.03 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.30 2rpc n HIS 141 Cb 0.47 -0.09 0.02 0.00 -0.12 0.00 0.00 29.99 30.27 2rpc n HIS 141 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2rpc h MET 142 N 0.89 0.00 -0.05 1.57 2.86 -1.55 -3.32 114.93 115.32 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 0.07 0.21 1.12 1.06 0.00 0.00 176.91 179.37 2rpc h HIS 143 N 0.00 0.00 0.00 -0.22 -0.00 -1.70 0.29 115.15 113.52 2rpc h HIS 143 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2rpc h HIS 143 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 2rpc h HIS 143 CO 0.00 0.00 -1.52 1.55 -0.00 0.00 0.00 177.93 177.96 2rpc n VAL 144 N -3.14 0.06 0.25 6.12 3.14 -1.25 -4.15 118.33 119.35 2rpc n VAL 144 Ca -0.01 -0.32 0.14 0.00 -2.96 0.00 0.00 64.34 61.19 2rpc n VAL 144 Cb 0.28 0.30 0.37 0.00 -1.06 0.00 0.00 33.84 33.73 2rpc n VAL 144 CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 2rpc h HIS 145 N 0.00 0.00 0.02 1.45 3.86 -0.56 -3.29 115.15 116.63 2rpc h HIS 145 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2rpc h HIS 145 Cb 0.82 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.29 2rpc h HIS 145 CO 0.00 0.00 -0.02 1.15 0.86 0.00 0.00 177.93 179.92 2rpc h THR 146 N 0.00 0.00 -2.99 2.45 2.02 -1.66 -3.37 112.91 109.37 2rpc h THR 146 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.56 2rpc h THR 146 Cb 0.81 0.00 -0.42 0.00 -1.74 0.00 0.00 68.15 66.80 2rpc h THR 146 CO 0.00 0.00 -0.57 -0.24 0.37 0.00 0.00 175.52 175.08 2rpc n SER 147 N -2.32 3.11 -4.06 4.18 2.88 -1.26 -5.05 113.62 111.11 2rpc n SER 147 Ca -0.00 -3.24 -0.48 0.00 -1.33 0.00 0.00 58.87 53.81 2rpc n SER 147 Cb 0.02 -0.75 -0.12 0.00 -0.75 0.00 0.00 64.21 62.60 2rpc n SER 147 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rpc n ASP 148 N 1.83 0.51 -4.72 -3.46 8.00 -1.24 -4.89 116.55 112.59 2rpc n ASP 148 Ca 0.21 0.43 -0.23 0.00 0.71 0.00 0.00 54.79 55.91 2rpc n ASP 148 Cb 0.36 -0.85 -0.06 0.00 -0.02 0.00 0.00 41.12 40.55 2rpc n ASP 148 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2rpc s LYS 149 N 6.82 2.54 0.36 -1.24 2.47 -1.26 -5.14 119.74 124.29 2rpc s LYS 149 Ca 1.18 -1.28 -0.01 0.00 -1.56 0.00 0.00 55.97 54.30 2rpc s LYS 149 Cb -1.30 -2.32 0.00 0.00 -1.46 0.00 0.00 37.83 32.76 2rpc s LYS 149 CO 0.55 0.37 0.49 0.45 0.16 0.00 0.00 175.35 177.37 2rpc s SER 150 N -3.74 1.06 0.00 1.43 0.15 -1.26 -5.04 113.70 106.30 2rpc s SER 150 Ca 0.32 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.43 2rpc s SER 150 Cb -0.07 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2rpc s SER 150 CO 0.22 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.94 2rpc n GLY 151 N -0.60 2.21 3.57 9.45 0.00 -1.26 -5.07 105.19 113.50 2rpc n GLY 151 Ca 0.01 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 2rpc n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rpc s PRO 152 N 0.00 2.96 -0.33 1.61 0.04 -1.26 -4.93 135.00 133.09 2rpc s PRO 152 Ca 0.00 0.92 -0.28 0.00 0.04 0.00 0.00 61.00 61.68 2rpc s PRO 152 Cb 0.00 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 2rpc s PRO 152 CO 0.00 -2.32 2.03 -1.12 0.04 0.00 0.00 177.00 175.64 2rpc s SER 153 N 6.98 5.49 -0.69 6.66 0.01 -1.26 -4.92 113.70 125.97 2rpc s SER 153 Ca 0.71 1.41 -0.23 0.00 1.31 0.00 0.00 55.95 59.14 2rpc s SER 153 Cb -0.16 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.62 2rpc s SER 153 CO 0.26 -2.01 1.02 -0.94 0.41 0.00 0.00 173.24 171.99 2rpc s SER 154 N 7.83 6.20 0.00 2.44 1.04 -1.26 -5.32 113.70 124.64 2rpc s SER 154 Ca 0.88 -1.00 0.10 0.00 0.48 0.00 0.00 55.95 56.41 2rpc s SER 154 Cb -0.25 -2.44 0.60 0.00 0.10 0.00 0.00 66.02 64.04 2rpc s SER 154 CO 0.32 -1.47 1.04 0.61 0.98 0.00 0.00 173.24 174.73