#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rk0 s LEU 3 N 0.00 4.29 -0.08 2.46 1.43 -1.26 -4.93 118.68 120.59 2rk0 s LEU 3 Ca 0.00 2.95 0.12 0.00 -1.03 0.00 0.00 54.13 56.17 2rk0 s LEU 3 Cb 0.00 -3.73 0.18 0.00 0.03 0.00 0.00 46.19 42.67 2rk0 s LEU 3 CO 0.00 -0.89 1.09 -1.54 0.23 0.00 0.00 176.35 175.25 2rk0 n SER 4 N 0.35 1.52 0.00 2.29 3.41 -1.26 -5.13 113.62 114.81 2rk0 n SER 4 Ca 0.02 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 2rk0 n SER 4 Cb 0.40 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2rk0 n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rk0 n GLY 5 N -0.92 0.37 3.64 5.00 0.00 -1.26 -5.00 105.19 107.02 2rk0 n GLY 5 Ca 0.10 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 2rk0 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rk0 s VAL 6 N 0.00 5.18 0.00 1.61 1.01 -1.26 -4.95 120.40 121.99 2rk0 s VAL 6 Ca 0.00 0.65 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 2rk0 s VAL 6 Cb 0.00 -3.72 -0.25 0.00 0.00 0.00 0.00 36.38 32.41 2rk0 s VAL 6 CO 0.00 0.20 1.07 -1.28 0.00 0.00 0.00 175.10 175.10 2rk0 h SER 7 N 7.73 0.56 -4.30 3.32 0.87 -1.95 -3.47 113.55 116.30 2rk0 h SER 7 Ca -0.34 -0.79 0.27 0.00 -1.23 0.00 0.00 61.79 59.70 2rk0 h SER 7 Cb 1.16 -0.17 -0.19 0.00 -0.44 0.00 0.00 62.40 62.76 2rk0 h SER 7 CO 0.69 1.28 0.84 -1.38 -0.53 0.00 0.00 176.83 177.73 2rk0 s HIS 8 N -3.08 -0.11 -0.13 2.24 -3.43 -1.26 -4.32 115.29 105.19 2rk0 s HIS 8 Ca -0.13 0.06 0.02 0.00 -0.80 0.00 0.00 55.06 54.21 2rk0 s HIS 8 Cb 0.03 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 2rk0 s HIS 8 CO 0.83 -0.18 -0.20 0.08 -2.00 0.00 0.00 174.74 173.28 2rk0 s VAL 9 N -2.36 2.34 -0.24 -5.38 1.01 -0.54 -5.01 120.40 110.21 2rk0 s VAL 9 Ca 0.10 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 2rk0 s VAL 9 Cb -0.01 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2rk0 s VAL 9 CO -0.04 0.54 0.06 -0.55 0.00 0.00 0.00 175.10 175.11 2rk0 s SER 10 N 0.64 5.11 -0.06 3.32 0.15 -1.26 -0.56 113.70 121.03 2rk0 s SER 10 Ca -0.10 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 2rk0 s SER 10 Cb -0.16 -1.91 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 2rk0 s SER 10 CO 0.02 -0.01 -0.01 -0.76 1.20 0.00 0.00 173.24 173.69 2rk0 s LEU 11 N 1.45 3.51 -0.17 3.45 1.43 0.84 -4.95 118.68 124.24 2rk0 s LEU 11 Ca 0.05 0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.06 2rk0 s LEU 11 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2rk0 s LEU 11 CO 0.03 0.35 0.51 -0.89 0.23 0.00 0.00 176.35 176.58 2rk0 s THR 12 N -0.92 5.14 0.08 5.49 2.01 -1.26 0.02 115.64 126.19 2rk0 s THR 12 Ca 0.15 0.96 0.06 0.00 0.31 0.00 0.00 61.69 63.17 2rk0 s THR 12 Cb -0.11 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 2rk0 s THR 12 CO 0.04 0.23 -0.16 0.68 -0.69 0.00 0.00 174.62 174.72 2rk0 s VAL 13 N 1.25 1.29 0.09 3.82 -7.23 0.28 -4.90 120.40 115.00 2rk0 s VAL 13 Ca 0.25 -1.36 -0.16 0.00 -1.81 0.00 0.00 61.98 58.90 2rk0 s VAL 13 Cb -0.15 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.49 2rk0 s VAL 13 CO 0.10 -0.17 1.43 -0.09 -0.31 0.00 0.00 175.10 176.06 2rk0 h ARG 14 N 4.25 0.64 -4.03 4.82 2.43 -1.98 -3.36 114.38 117.16 2rk0 h ARG 14 Ca -0.42 -0.31 -0.59 0.00 -0.81 0.00 0.00 59.98 57.85 2rk0 h ARG 14 Cb 1.19 -0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 30.35 2rk0 h ARG 14 CO 0.40 0.91 -0.77 0.34 -1.51 0.00 0.00 179.97 179.34 2rk0 s ASP 15 N -6.41 3.71 0.15 -3.80 -1.08 -1.26 -4.84 116.67 103.14 2rk0 s ASP 15 Ca -0.13 -1.24 -0.22 0.00 -0.52 0.00 0.00 52.55 50.45 2rk0 s ASP 15 Cb 0.08 -1.01 0.04 0.00 -1.46 0.00 0.00 42.92 40.57 2rk0 s ASP 15 CO 0.81 -0.30 1.63 0.25 0.52 0.00 0.00 175.17 178.09 2rk0 h LEU 16 N 8.03 -0.75 -0.75 -1.34 5.85 -1.94 -1.76 115.31 122.64 2rk0 h LEU 16 Ca -0.16 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2rk0 h LEU 16 Cb 1.07 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 2rk0 h LEU 16 CO 0.41 -0.27 0.49 0.44 -0.34 0.00 0.00 178.44 179.17 2rk0 h ASP 17 N -0.23 0.83 -0.66 1.25 3.32 -1.99 -0.24 116.42 118.70 2rk0 h ASP 17 Ca 0.14 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2rk0 h ASP 17 Cb 0.45 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2rk0 h ASP 17 CO -0.40 0.59 0.34 0.40 -1.72 0.00 0.00 179.24 178.46 2rk0 h ILE 18 N 0.98 1.21 -0.53 0.35 2.04 -1.91 -2.41 117.51 117.25 2rk0 h ILE 18 Ca 0.29 -0.57 -0.12 0.00 1.00 0.00 0.00 64.86 65.46 2rk0 h ILE 18 Cb -0.06 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 2rk0 h ILE 18 CO -0.08 0.24 -0.15 0.28 0.00 0.00 0.00 178.15 178.44 2rk0 h SER 19 N 0.91 1.04 -0.36 1.72 0.02 -0.83 -1.58 113.55 114.47 2rk0 h SER 19 Ca 0.23 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2rk0 h SER 19 Cb 0.07 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 2rk0 h SER 19 CO -0.03 1.17 0.18 0.00 -1.14 0.00 0.00 176.83 177.01 2rk0 h ARG 21 N 0.38 1.10 0.11 0.00 3.08 -1.35 -1.12 114.38 116.59 2rk0 h ARG 21 Ca 0.15 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2rk0 h ARG 21 Cb 0.05 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2rk0 h ARG 21 CO -0.10 0.98 -0.05 2.35 -1.07 0.00 0.00 179.97 182.08 2rk0 h TRP 22 N 1.04 -0.14 -0.50 3.04 7.01 -0.57 -0.93 115.95 124.91 2rk0 h TRP 22 Ca 0.21 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.14 2rk0 h TRP 22 Cb 0.39 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 2rk0 h TRP 22 CO 0.03 0.05 0.04 1.88 -2.79 0.00 0.00 178.44 177.65 2rk0 h TYR 23 N -0.31 0.85 0.09 2.65 -1.99 -0.76 -0.28 116.97 117.23 2rk0 h TYR 23 Ca -0.02 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 2rk0 h TYR 23 Cb 0.25 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.74 2rk0 h TYR 23 CO -0.02 0.76 -0.04 1.15 -0.00 0.00 0.00 178.16 180.01 2rk0 h THR 24 N 0.77 0.99 -0.45 -2.88 2.02 -1.08 -0.24 112.91 112.04 2rk0 h THR 24 Ca 0.16 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 2rk0 h THR 24 Cb 0.40 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2rk0 h THR 24 CO 0.01 0.07 0.03 -0.08 0.37 0.00 0.00 175.52 175.92 2rk0 h GLU 25 N -0.24 0.78 0.03 6.66 4.81 -1.03 -1.76 114.58 123.82 2rk0 h GLU 25 Ca -0.01 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.87 2rk0 h GLU 25 Cb 0.20 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2rk0 h GLU 25 CO 0.02 0.82 -0.59 0.82 -0.73 0.00 0.00 179.01 179.35 2rk0 h ILE 26 N 0.63 1.44 -0.40 2.32 1.08 -1.06 -3.40 117.51 118.12 2rk0 h ILE 26 Ca 0.13 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.27 2rk0 h ILE 26 Cb 0.45 2.98 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 2rk0 h ILE 26 CO 0.02 0.55 0.00 0.18 -0.69 0.00 0.00 178.15 178.21 2rk0 n LEU 27 N -4.43 3.17 -2.40 1.44 4.77 -0.15 -4.93 117.00 114.46 2rk0 n LEU 27 Ca -0.18 -2.08 -0.20 0.00 -0.03 0.00 0.00 56.01 53.52 2rk0 n LEU 27 Cb 0.62 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2rk0 n LEU 27 CO 0.32 0.76 -0.25 0.47 -1.33 0.00 0.00 177.39 177.36 2rk0 n ASP 28 N 0.59 -5.67 -4.76 -1.43 8.00 -0.66 -4.38 116.55 108.24 2rk0 n ASP 28 Ca 0.14 0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.24 2rk0 n ASP 28 Cb 0.50 -4.73 -0.01 0.00 -0.02 0.00 0.00 41.12 36.86 2rk0 n ASP 28 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2rk0 s TRP 29 N -2.99 2.79 -0.21 1.24 -0.00 -0.92 -4.39 118.94 114.47 2rk0 s TRP 29 Ca 0.00 1.01 0.01 0.00 -0.00 0.00 0.00 56.10 57.11 2rk0 s TRP 29 Cb 0.00 -3.97 0.03 0.00 -0.00 0.00 0.00 33.47 29.53 2rk0 s TRP 29 CO 0.00 -3.06 -0.15 0.21 -0.00 0.00 0.00 176.95 173.95 2rk0 s LYS 30 N -1.07 2.87 0.10 5.86 2.20 0.14 -4.10 119.74 125.73 2rk0 s LYS 30 Ca 0.58 -0.93 -0.31 0.00 -0.36 0.00 0.00 55.97 54.95 2rk0 s LYS 30 Cb -0.45 -2.72 -0.08 0.00 -1.51 0.00 0.00 37.83 33.07 2rk0 s LYS 30 CO 0.52 -0.30 1.43 -2.00 -0.36 0.00 0.00 175.35 174.64 2rk0 s GLU 31 N 1.28 4.29 -0.13 4.03 2.12 -1.26 -1.09 118.70 127.94 2rk0 s GLU 31 Ca 0.02 2.11 0.15 0.00 0.36 0.00 0.00 54.97 57.61 2rk0 s GLU 31 Cb -0.15 -3.31 -0.22 0.00 0.26 0.00 0.00 34.13 30.71 2rk0 s GLU 31 CO -0.10 -0.50 0.13 1.28 -0.54 0.00 0.00 175.26 175.54 2rk0 n LEU 32 N 4.29 0.00 -3.64 2.70 4.77 0.15 -4.93 117.00 120.32 2rk0 n LEU 32 Ca 0.12 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.05 2rk0 n LEU 32 Cb 0.42 0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.75 2rk0 n LEU 32 CO 0.59 0.31 1.02 0.54 -1.33 0.00 0.00 177.39 178.52 2rk0 s VAL 33 N -2.58 0.00 0.04 4.08 0.11 -1.06 -5.02 120.40 115.97 2rk0 s VAL 33 Ca -0.08 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 2rk0 s VAL 33 Cb 0.06 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2rk0 s VAL 33 CO 0.68 0.00 -0.20 0.00 -3.33 0.00 0.00 175.10 172.25 2rk0 s ARG 34 N 0.10 1.36 0.00 1.54 1.70 -1.26 -0.29 118.95 122.09 2rk0 s ARG 34 Ca 0.06 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 2rk0 s ARG 34 Cb -0.05 -1.45 0.00 0.00 -0.57 0.00 0.00 34.95 32.88 2rk0 s ARG 34 CO -0.12 0.37 0.00 0.41 -1.08 0.00 0.00 175.30 174.88 2rk0 n GLY 35 N 1.93 3.91 3.16 3.88 0.00 0.56 -4.97 105.19 113.67 2rk0 n GLY 35 Ca -0.17 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 2rk0 n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rk0 s ARG 36 N 0.18 1.79 0.00 1.61 6.06 -1.26 -1.28 118.95 126.05 2rk0 s ARG 36 Ca 0.00 -0.66 0.00 0.00 -2.50 0.00 0.00 55.73 52.57 2rk0 s ARG 36 Cb 0.00 -1.60 0.00 0.00 0.06 0.00 0.00 34.95 33.41 2rk0 s ARG 36 CO 0.00 0.30 0.00 0.41 -2.50 0.00 0.00 175.30 173.51 2rk0 n GLY 37 N 2.98 3.92 0.48 8.12 0.00 0.24 -4.96 105.19 115.96 2rk0 n GLY 37 Ca -0.17 -2.11 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 2rk0 n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2rk0 h ASP 38 N 0.00 -1.01 0.00 1.61 3.58 -2.02 -3.35 116.42 115.24 2rk0 h ASP 38 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2rk0 h ASP 38 Cb 0.00 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2rk0 h ASP 38 CO 0.00 -0.71 -0.03 0.35 -2.88 0.00 0.00 179.24 175.98 2rk0 n THR 39 N -5.59 1.68 -4.14 2.25 -2.24 -1.26 -5.06 114.28 99.91 2rk0 n THR 39 Ca -0.16 -2.00 -0.10 0.00 -2.27 0.00 0.00 64.05 59.53 2rk0 n THR 39 Cb 0.48 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.50 2rk0 n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2rk0 s THR 40 N -2.50 0.10 -0.02 4.28 -4.23 -1.26 -0.57 115.64 111.44 2rk0 s THR 40 Ca 0.27 -1.90 0.08 0.00 -1.18 0.00 0.00 61.69 58.96 2rk0 s THR 40 Cb 0.23 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.01 2rk0 s THR 40 CO 0.02 -0.46 -0.26 -0.44 -0.54 0.00 0.00 174.62 172.95 2rk0 s SER 41 N -3.05 3.05 0.09 3.99 0.01 -0.11 0.79 113.70 118.48 2rk0 s SER 41 Ca 0.24 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 57.03 2rk0 s SER 41 Cb 0.07 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2rk0 s SER 41 CO 0.02 0.32 -0.01 0.72 0.41 0.00 0.00 173.24 174.70 2rk0 s PHE 42 N -0.61 0.75 -0.13 2.43 -0.12 -0.40 -0.57 117.98 119.33 2rk0 s PHE 42 Ca 0.10 -1.09 -0.04 0.00 -0.05 0.00 0.00 56.93 55.86 2rk0 s PHE 42 Cb -0.10 -0.47 0.06 0.00 -0.63 0.00 0.00 43.02 41.89 2rk0 s PHE 42 CO -0.01 -0.36 0.20 0.00 -0.05 0.00 0.00 175.22 175.00 2rk0 s ALA 43 N -3.88 -0.29 -0.22 1.99 0.00 -0.51 -0.32 121.76 118.53 2rk0 s ALA 43 Ca 0.14 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 2rk0 s ALA 43 Cb 0.07 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 2rk0 s ALA 43 CO -0.04 -0.77 0.16 -1.58 0.00 0.00 0.00 175.76 173.53 2rk0 s HIS 44 N 2.34 3.35 0.25 0.00 5.04 0.60 -0.93 115.29 125.93 2rk0 s HIS 44 Ca 0.04 0.28 0.02 0.00 -1.54 0.00 0.00 55.06 53.86 2rk0 s HIS 44 Cb -0.13 -2.25 -0.04 0.00 0.04 0.00 0.00 32.58 30.20 2rk0 s HIS 44 CO -0.08 0.14 0.17 0.20 -2.34 0.00 0.00 174.74 172.82 2rk0 s GLY 45 N 0.83 1.74 0.05 1.59 0.00 -0.67 0.30 107.32 111.17 2rk0 s GLY 45 Ca 0.08 -1.81 0.06 0.00 0.00 0.00 0.00 44.72 43.06 2rk0 s GLY 45 CO 0.03 -1.45 -0.17 0.14 0.00 0.00 0.00 173.10 171.65 2rk0 s VAL 46 N -3.91 1.32 0.31 1.40 1.01 -0.25 -1.11 120.40 119.17 2rk0 s VAL 46 Ca 0.39 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 61.24 2rk0 s VAL 46 Cb 0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2rk0 s VAL 46 CO 0.16 0.01 0.46 -0.76 0.00 0.00 0.00 175.10 174.96 2rk0 s LEU 47 N -1.35 4.11 0.49 3.92 1.43 0.43 -0.68 118.68 127.03 2rk0 s LEU 47 Ca 0.03 0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 52.99 2rk0 s LEU 47 Cb -0.09 -2.95 -0.07 0.00 0.03 0.00 0.00 46.19 43.11 2rk0 s LEU 47 CO 0.02 -0.27 1.42 -2.84 0.23 0.00 0.00 176.35 174.91 2rk0 s PRO 48 N -4.15 3.46 0.00 1.29 0.02 -1.26 -1.14 135.00 133.22 2rk0 s PRO 48 Ca 0.39 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.80 2rk0 s PRO 48 Cb -0.09 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.92 2rk0 s PRO 48 CO 0.32 -0.98 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 2rk0 n GLY 49 N 0.63 2.64 0.00 0.52 0.00 -1.26 -4.50 105.19 103.22 2rk0 n GLY 49 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2rk0 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rk0 n GLY 50 N -2.00 1.57 3.70 -0.02 0.00 -0.29 -5.07 105.19 103.08 2rk0 n GLY 50 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2rk0 n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rk0 s LEU 51 N 0.00 4.37 -0.08 0.99 2.96 -1.25 -4.69 118.68 120.97 2rk0 s LEU 51 Ca 0.00 2.56 -0.20 0.00 -0.22 0.00 0.00 54.13 56.27 2rk0 s LEU 51 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2rk0 s LEU 51 CO 0.00 -0.88 0.57 -0.44 -1.32 0.00 0.00 176.35 174.28 2rk0 s SER 52 N 2.03 6.83 -0.09 3.68 0.01 -1.26 -0.42 113.70 124.48 2rk0 s SER 52 Ca 0.73 0.99 0.01 0.00 1.31 0.00 0.00 55.95 59.00 2rk0 s SER 52 Cb -0.42 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.49 2rk0 s SER 52 CO 0.32 -0.03 -0.10 -0.63 0.41 0.00 0.00 173.24 173.22 2rk0 s ILE 53 N 0.58 1.09 -0.19 1.44 1.01 -0.27 -1.47 121.20 123.40 2rk0 s ILE 53 Ca 0.31 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 2rk0 s ILE 53 Cb -0.16 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2rk0 s ILE 53 CO 0.14 0.36 0.02 -0.69 0.00 0.00 0.00 174.94 174.77 2rk0 s VAL 54 N 1.22 4.21 -0.15 2.92 1.01 0.27 -1.67 120.40 128.23 2rk0 s VAL 54 Ca -0.04 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 2rk0 s VAL 54 Cb -0.14 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2rk0 s VAL 54 CO -0.03 0.44 0.23 -0.76 0.00 0.00 0.00 175.10 174.99 2rk0 s LEU 55 N 0.73 4.29 -0.06 3.92 1.43 -0.10 -0.11 118.68 128.77 2rk0 s LEU 55 Ca 0.01 0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.58 2rk0 s LEU 55 Cb -0.14 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.84 2rk0 s LEU 55 CO 0.02 0.20 -0.03 -0.60 0.23 0.00 0.00 176.35 176.17 2rk0 s ARG 56 N 0.01 0.80 -0.23 1.70 3.52 0.10 -1.42 118.95 123.43 2rk0 s ARG 56 Ca 0.15 -0.03 -0.07 0.00 -0.13 0.00 0.00 55.73 55.65 2rk0 s ARG 56 Cb -0.13 -0.96 -0.03 0.00 -1.56 0.00 0.00 34.95 32.27 2rk0 s ARG 56 CO 0.03 -0.19 0.06 -2.00 -0.81 0.00 0.00 175.30 172.40 2rk0 s GLU 57 N 1.42 3.73 -0.13 5.12 2.12 0.27 -0.55 118.70 130.69 2rk0 s GLU 57 Ca -0.03 -0.45 -0.19 0.00 0.36 0.00 0.00 54.97 54.66 2rk0 s GLU 57 Cb -0.13 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2rk0 s GLU 57 CO -0.03 -0.05 0.53 -1.01 -0.54 0.00 0.00 175.26 174.17 2rk0 s HIS 58 N 1.23 3.50 0.38 5.30 3.76 -1.26 -0.93 115.29 127.26 2rk0 s HIS 58 Ca 0.04 0.94 0.12 0.00 -0.15 0.00 0.00 55.06 56.02 2rk0 s HIS 58 Cb -0.14 -2.63 0.93 0.00 1.11 0.00 0.00 32.58 31.85 2rk0 s HIS 58 CO 0.03 0.10 1.87 -0.44 -0.85 0.00 0.00 174.74 175.45 2rk0 h ASP 59 N 6.87 0.54 -0.75 1.40 3.32 -1.21 0.59 116.42 127.18 2rk0 h ASP 59 Ca -0.39 0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.48 2rk0 h ASP 59 Cb 1.18 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.53 2rk0 h ASP 59 CO 0.75 0.26 0.28 0.61 -1.72 0.00 0.00 179.24 179.42 2rk0 n GLY 60 N -1.47 3.61 0.00 2.75 0.00 -1.26 -4.94 105.19 103.88 2rk0 n GLY 60 Ca 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2rk0 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rk0 n GLY 61 N -0.12 3.06 2.31 -0.02 0.00 0.20 -4.78 105.19 105.85 2rk0 n GLY 61 Ca 0.41 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2rk0 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rk0 n GLY 62 N 5.00 0.69 0.09 -0.02 0.00 -1.26 -4.88 105.19 104.81 2rk0 n GLY 62 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2rk0 n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rk0 n THR 63 N -2.60 1.20 -3.82 2.61 -2.24 -1.26 -4.98 114.28 103.20 2rk0 n THR 63 Ca 0.00 -0.72 -0.22 0.00 -2.27 0.00 0.00 64.05 60.84 2rk0 n THR 63 Cb 0.00 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 2rk0 n THR 63 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2rk0 s ASP 64 N -5.23 6.31 0.29 3.42 1.01 -1.26 -5.12 116.67 116.10 2rk0 s ASP 64 Ca -0.10 0.17 0.08 0.00 0.71 0.00 0.00 52.55 53.40 2rk0 s ASP 64 Cb 0.05 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 2rk0 s ASP 64 CO 0.70 -0.12 0.17 -0.76 0.21 0.00 0.00 175.17 175.36 2rk0 s LEU 65 N -4.05 3.52 0.21 1.23 1.43 -1.26 -5.06 118.68 114.70 2rk0 s LEU 65 Ca 0.35 -0.50 -0.31 0.00 -1.03 0.00 0.00 54.13 52.65 2rk0 s LEU 65 Cb -0.09 -2.06 -0.11 0.00 0.03 0.00 0.00 46.19 43.96 2rk0 s LEU 65 CO 0.31 -0.16 1.64 0.12 0.23 0.00 0.00 176.35 178.49 2rk0 s PHE 66 N -2.27 2.93 -0.29 0.29 5.36 -1.26 -4.95 117.98 117.79 2rk0 s PHE 66 Ca 0.35 0.54 -0.02 0.00 -0.96 0.00 0.00 56.93 56.84 2rk0 s PHE 66 Cb -0.06 -4.05 0.12 0.00 -0.34 0.00 0.00 43.02 38.69 2rk0 s PHE 66 CO 0.24 -3.85 0.22 0.34 -1.46 0.00 0.00 175.22 170.70 2rk0 s ASP 67 N 0.99 2.55 0.35 6.13 -1.08 -1.26 -5.01 116.67 119.35 2rk0 s ASP 67 Ca 0.70 -1.00 0.19 0.00 -0.52 0.00 0.00 52.55 51.92 2rk0 s ASP 67 Cb -0.47 0.10 1.03 0.00 -1.46 0.00 0.00 42.92 42.12 2rk0 s ASP 67 CO 0.35 -0.41 1.53 1.05 0.52 0.00 0.00 175.17 178.22 2rk0 h GLU 68 N 8.33 0.00 -0.00 4.34 9.09 -1.88 -0.04 114.58 134.42 2rk0 h GLU 68 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.25 2rk0 h GLU 68 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 2rk0 h GLU 68 CO 0.38 0.00 -0.04 0.25 0.05 0.00 0.00 179.01 179.65 2rk0 n THR 69 N -2.23 0.00 -3.89 -1.06 -2.24 -1.26 -4.77 114.28 98.84 2rk0 n THR 69 Ca -0.01 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.39 2rk0 n THR 69 Cb 0.18 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.04 2rk0 n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2rk0 s ARG 70 N -2.40 3.45 0.37 -0.78 1.81 -0.03 -5.06 118.95 116.30 2rk0 s ARG 70 Ca 0.33 -0.25 -0.27 0.00 -1.72 0.00 0.00 55.73 53.82 2rk0 s ARG 70 Cb 0.21 -3.12 -0.12 0.00 -0.45 0.00 0.00 34.95 31.47 2rk0 s ARG 70 CO 0.44 0.70 1.15 -2.30 -0.68 0.00 0.00 175.30 174.61 2rk0 n PRO 71 N 1.23 1.71 0.00 3.54 -0.02 -1.26 -4.60 135.00 135.60 2rk0 n PRO 71 Ca -0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2rk0 n PRO 71 Cb 0.53 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2rk0 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rk0 n GLY 72 N 0.99 0.36 3.71 -1.23 0.00 -1.26 -5.06 105.19 102.70 2rk0 n GLY 72 Ca 0.07 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2rk0 n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rk0 s LEU 73 N 0.00 4.33 -0.18 0.99 2.96 -1.26 -4.93 118.68 120.59 2rk0 s LEU 73 Ca 0.00 1.41 -0.16 0.00 -0.22 0.00 0.00 54.13 55.16 2rk0 s LEU 73 Cb 0.00 -3.33 -0.12 0.00 0.50 0.00 0.00 46.19 43.24 2rk0 s LEU 73 CO 0.00 -0.21 0.06 -0.78 -1.32 0.00 0.00 176.35 174.10 2rk0 h ASP 74 N 6.82 0.00 -4.35 3.68 -0.00 -1.90 -3.42 116.42 117.26 2rk0 h ASP 74 Ca -0.40 -0.30 0.12 0.00 -0.00 0.00 0.00 57.03 56.45 2rk0 h ASP 74 Cb 1.20 0.00 -0.19 0.00 -0.00 0.00 0.00 39.33 40.34 2rk0 h ASP 74 CO 0.76 1.17 0.56 -1.38 -0.00 0.00 0.00 179.24 180.35 2rk0 s HIS 75 N -2.30 -0.33 -0.18 0.28 -3.43 -1.26 -4.58 115.29 103.49 2rk0 s HIS 75 Ca -0.23 0.38 -0.01 0.00 -0.80 0.00 0.00 55.06 54.40 2rk0 s HIS 75 Cb 0.04 0.50 -0.00 0.00 -1.43 0.00 0.00 32.58 31.69 2rk0 s HIS 75 CO 0.43 -0.41 -0.12 -1.17 -2.00 0.00 0.00 174.74 171.47 2rk0 s LEU 76 N -1.82 2.57 -0.20 5.38 2.96 -0.56 -5.00 118.68 122.00 2rk0 s LEU 76 Ca 0.03 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 2rk0 s LEU 76 Cb -0.01 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 2rk0 s LEU 76 CO -0.04 0.04 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.43 2rk0 s SER 77 N 1.10 4.36 0.10 3.68 0.15 -1.26 -0.97 113.70 120.86 2rk0 s SER 77 Ca 0.00 -0.33 -0.06 0.00 0.70 0.00 0.00 55.95 56.26 2rk0 s SER 77 Cb -0.14 -1.73 -0.05 0.00 -1.71 0.00 0.00 66.02 62.38 2rk0 s SER 77 CO -0.04 0.04 0.35 -0.36 1.20 0.00 0.00 173.24 174.44 2rk0 s PHE 78 N 1.10 3.52 -0.05 3.44 0.08 0.64 -4.96 117.98 121.76 2rk0 s PHE 78 Ca 0.01 0.59 -0.16 0.00 0.12 0.00 0.00 56.93 57.49 2rk0 s PHE 78 Cb -0.15 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.23 2rk0 s PHE 78 CO -0.00 0.49 0.44 -1.12 -0.10 0.00 0.00 175.22 174.92 2rk0 s SER 79 N -2.17 6.75 0.22 1.36 0.01 -1.26 -4.27 113.70 114.34 2rk0 s SER 79 Ca 0.37 0.89 0.11 0.00 1.31 0.00 0.00 55.95 58.63 2rk0 s SER 79 Cb -0.13 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 2rk0 s SER 79 CO 0.22 0.18 -0.21 0.68 0.41 0.00 0.00 173.24 174.52 2rk0 s VAL 80 N -0.32 2.30 -0.01 3.43 -7.23 -1.26 -5.06 120.40 112.25 2rk0 s VAL 80 Ca 0.24 -2.16 0.05 0.00 -1.81 0.00 0.00 61.98 58.31 2rk0 s VAL 80 Cb -0.16 -2.15 -0.24 0.00 0.56 0.00 0.00 36.38 34.39 2rk0 s VAL 80 CO 0.12 -0.26 0.79 -0.33 -0.31 0.00 0.00 175.10 175.11 2rk0 h GLU 81 N 2.86 0.10 0.00 4.82 5.08 -2.00 -3.42 114.58 122.02 2rk0 h GLU 81 Ca -0.43 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 2rk0 h GLU 81 Cb 1.23 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2rk0 h GLU 81 CO 0.53 0.83 0.00 -1.13 -1.00 0.00 0.00 179.01 178.24 2rk0 n SER 82 N -3.26 0.00 0.00 1.42 3.41 -1.26 -4.98 113.62 108.95 2rk0 n SER 82 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2rk0 n SER 82 Cb 1.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 2rk0 n SER 82 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2rk0 n THR 84 N 0.00 0.00 -0.28 6.66 -1.04 -1.26 -3.54 114.28 114.81 2rk0 n THR 84 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2rk0 n THR 84 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 2rk0 n THR 84 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2rk0 h ASP 85 N 0.00 0.87 -0.43 8.00 3.32 -1.99 0.62 116.42 126.80 2rk0 h ASP 85 Ca 0.00 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 2rk0 h ASP 85 Cb 0.00 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2rk0 h ASP 85 CO 0.00 0.62 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.76 2rk0 h LEU 86 N 1.02 1.01 -0.64 1.55 3.38 -1.99 -1.73 115.31 117.91 2rk0 h LEU 86 Ca 0.30 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2rk0 h LEU 86 Cb -0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 2rk0 h LEU 86 CO -0.08 1.23 0.38 0.44 0.09 0.00 0.00 178.44 180.50 2rk0 h ASP 87 N 0.80 0.77 -0.46 -0.43 3.32 -1.76 -0.91 116.42 117.75 2rk0 h ASP 87 Ca 0.08 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2rk0 h ASP 87 Cb 0.89 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 2rk0 h ASP 87 CO 0.08 0.61 0.03 0.58 -1.72 0.00 0.00 179.24 178.82 2rk0 h VAL 88 N 0.87 1.26 -0.32 -1.35 2.07 -0.78 -2.16 116.25 115.83 2rk0 h VAL 88 Ca 0.23 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.77 2rk0 h VAL 88 Cb -0.02 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2rk0 h VAL 88 CO -0.04 0.35 0.19 -0.07 0.02 0.00 0.00 177.57 178.02 2rk0 h LEU 89 N 0.65 0.32 -0.93 2.57 3.38 -0.95 -0.81 115.31 119.54 2rk0 h LEU 89 Ca 0.14 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2rk0 h LEU 89 Cb 0.45 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2rk0 h LEU 89 CO 0.02 0.23 0.61 -0.33 0.09 0.00 0.00 178.44 179.06 2rk0 h GLU 90 N 0.40 1.17 -0.27 1.13 5.08 -1.05 0.13 114.58 121.17 2rk0 h GLU 90 Ca 0.12 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2rk0 h GLU 90 Cb -0.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 2rk0 h GLU 90 CO -0.05 0.77 0.14 0.93 -1.00 0.00 0.00 179.01 179.81 2rk0 h GLU 91 N 1.21 0.37 -0.40 2.33 5.08 -0.87 -0.50 114.58 121.80 2rk0 h GLU 91 Ca 0.36 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2rk0 h GLU 91 Cb -0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2rk0 h GLU 91 CO -0.11 0.34 0.05 0.00 -1.00 0.00 0.00 179.01 178.29 2rk0 h ARG 92 N 0.31 0.67 -0.34 2.33 3.08 -0.72 -0.67 114.38 119.04 2rk0 h ARG 92 Ca 0.09 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2rk0 h ARG 92 Cb 0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2rk0 h ARG 92 CO -0.01 0.73 0.22 -0.07 -1.07 0.00 0.00 179.97 179.77 2rk0 h LEU 93 N 0.51 0.39 0.09 3.04 3.38 -0.62 0.04 115.31 122.14 2rk0 h LEU 93 Ca 0.12 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2rk0 h LEU 93 Cb 0.40 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2rk0 h LEU 93 CO 0.01 0.30 -0.04 0.00 0.09 0.00 0.00 178.44 178.80 2rk0 h ALA 94 N 1.11 -0.12 -0.88 1.53 0.00 -1.01 0.36 119.26 120.25 2rk0 h ALA 94 Ca 0.12 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2rk0 h ALA 94 Cb -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 2rk0 h ALA 94 CO -0.03 -0.52 0.57 -0.22 0.00 0.00 0.00 179.25 179.05 2rk0 h LYS 95 N -0.22 0.78 -0.00 0.00 3.64 -0.94 0.58 116.57 120.41 2rk0 h LYS 95 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2rk0 h LYS 95 Cb 0.18 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2rk0 h LYS 95 CO 0.02 0.52 -0.10 0.00 -2.27 0.00 0.00 179.45 177.62 2rk0 n ALA 96 N -2.42 2.65 -1.99 5.00 0.00 -0.02 -4.91 120.51 118.81 2rk0 n ALA 96 Ca 0.16 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 2rk0 n ALA 96 Cb 0.36 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 2rk0 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rk0 n GLY 97 N 1.40 0.23 3.86 0.00 0.00 0.19 -5.01 105.19 105.86 2rk0 n GLY 97 Ca 0.10 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 2rk0 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rk0 s ALA 98 N -2.51 2.41 -0.11 4.61 0.00 -0.04 -5.02 121.76 121.10 2rk0 s ALA 98 Ca 0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 2rk0 s ALA 98 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2rk0 s ALA 98 CO 0.00 -1.75 0.60 0.00 0.00 0.00 0.00 175.76 174.61 2rk0 s ALA 99 N -3.41 3.43 -0.12 0.00 0.00 -1.26 -4.77 121.76 115.62 2rk0 s ALA 99 Ca 0.62 -0.07 -0.32 0.00 0.00 0.00 0.00 51.96 52.19 2rk0 s ALA 99 Cb -0.12 -2.85 0.13 0.00 0.00 0.00 0.00 23.12 20.28 2rk0 s ALA 99 CO 0.51 -0.16 1.08 -0.59 0.00 0.00 0.00 175.76 176.60 2rk0 s PHE 100 N 0.97 -0.23 0.14 0.00 -0.12 -1.26 -1.75 117.98 115.73 2rk0 s PHE 100 Ca 0.31 0.18 0.07 0.00 -0.05 0.00 0.00 56.93 57.45 2rk0 s PHE 100 Cb -0.16 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 2rk0 s PHE 100 CO 0.14 -0.34 -0.06 0.95 -0.05 0.00 0.00 175.22 175.86 2rk0 s THR 101 N -2.50 3.50 0.67 -4.49 -4.23 -0.82 -5.02 115.64 102.75 2rk0 s THR 101 Ca 0.07 -1.35 -0.17 0.00 -1.18 0.00 0.00 61.69 59.05 2rk0 s THR 101 Cb -0.01 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 2rk0 s THR 101 CO -0.06 0.01 0.95 -2.65 -0.54 0.00 0.00 174.62 172.33 2rk0 n PRO 102 N 0.34 0.68 -1.69 3.99 -0.02 -1.26 -4.26 135.00 132.78 2rk0 n PRO 102 Ca -0.12 0.28 -0.45 0.00 -2.02 0.00 0.00 63.50 61.20 2rk0 n PRO 102 Cb 0.54 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 2rk0 n PRO 102 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2rk0 n THR 103 N -2.14 0.45 -4.39 3.45 -1.04 -1.26 -4.76 114.28 104.59 2rk0 n THR 103 Ca 0.13 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 2rk0 n THR 103 Cb 0.49 -1.62 -0.11 0.00 -1.82 0.00 0.00 70.33 67.26 2rk0 n THR 103 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2rk0 s GLN 104 N 0.31 3.44 -0.20 -2.82 0.74 0.49 -4.92 119.66 116.70 2rk0 s GLN 104 Ca 0.73 -0.48 -0.22 0.00 0.05 0.00 0.00 55.36 55.44 2rk0 s GLN 104 Cb -0.62 -2.88 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 2rk0 s GLN 104 CO 0.43 0.40 0.69 -2.00 -0.55 0.00 0.00 175.29 174.25 2rk0 s GLU 105 N -0.06 4.22 0.39 1.67 2.12 -1.26 -1.31 118.70 124.47 2rk0 s GLU 105 Ca 0.02 0.73 0.06 0.00 0.36 0.00 0.00 54.97 56.14 2rk0 s GLU 105 Cb -0.13 -3.59 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 2rk0 s GLU 105 CO 0.02 -0.30 0.03 -0.51 -0.54 0.00 0.00 175.26 173.96 2rk0 s LEU 106 N 2.09 2.64 0.26 2.70 1.43 0.13 -5.01 118.68 122.92 2rk0 s LEU 106 Ca 0.31 -1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.01 2rk0 s LEU 106 Cb -0.16 -0.73 0.49 0.00 0.03 0.00 0.00 46.19 45.83 2rk0 s LEU 106 CO 0.10 -0.51 1.79 -0.65 0.23 0.00 0.00 176.35 177.31 2rk0 h PRO 107 N 1.87 0.70 -0.52 1.29 0.11 -2.02 -2.87 132.00 130.55 2rk0 h PRO 107 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2rk0 h PRO 107 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2rk0 h PRO 107 CO 0.77 0.46 0.00 1.19 -0.21 0.00 0.00 178.00 180.21 2rk0 n PHE 108 N -4.80 0.69 -3.72 0.65 3.72 -1.26 -4.84 117.46 107.90 2rk0 n PHE 108 Ca 0.16 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 2rk0 n PHE 108 Cb 0.38 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2rk0 n PHE 108 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rk0 n GLY 109 N 1.27 -1.12 3.37 1.37 0.00 -1.08 -2.31 105.19 106.68 2rk0 n GLY 109 Ca 0.19 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 2rk0 n GLY 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rk0 s TRP 110 N -2.94 2.46 -0.02 1.61 0.51 0.08 0.17 118.94 120.81 2rk0 s TRP 110 Ca 0.00 -0.35 0.04 0.00 -2.12 0.00 0.00 56.10 53.66 2rk0 s TRP 110 Cb 0.00 -1.55 -0.01 0.00 -0.81 0.00 0.00 33.47 31.11 2rk0 s TRP 110 CO 0.00 0.03 -0.12 0.42 -0.51 0.00 0.00 176.95 176.77 2rk0 s ILE 111 N -0.64 1.00 -0.24 2.03 1.01 -0.43 -1.19 121.20 122.74 2rk0 s ILE 111 Ca 0.10 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2rk0 s ILE 111 Cb -0.10 -0.85 0.04 0.00 0.01 0.00 0.00 42.46 41.56 2rk0 s ILE 111 CO -0.00 0.29 -0.10 -0.22 0.00 0.00 0.00 174.94 174.90 2rk0 s LEU 112 N -0.12 3.14 -0.20 2.97 2.96 -0.19 -0.38 118.68 126.87 2rk0 s LEU 112 Ca 0.02 -1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 52.76 2rk0 s LEU 112 Cb -0.07 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2rk0 s LEU 112 CO 0.00 -0.14 0.12 0.00 -1.32 0.00 0.00 176.35 175.01 2rk0 s ALA 113 N 1.23 3.64 0.24 5.97 0.00 -1.26 -1.23 121.76 130.35 2rk0 s ALA 113 Ca -0.03 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 2rk0 s ALA 113 Cb -0.17 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2rk0 s ALA 113 CO -0.06 0.14 0.37 -0.59 0.00 0.00 0.00 175.76 175.62 2rk0 s PHE 114 N 0.41 0.66 0.11 0.00 -0.12 -0.41 -1.94 117.98 116.70 2rk0 s PHE 114 Ca 0.07 -0.97 0.08 0.00 -0.05 0.00 0.00 56.93 56.06 2rk0 s PHE 114 Cb -0.11 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 2rk0 s PHE 114 CO -0.01 -0.90 -0.21 1.03 -0.05 0.00 0.00 175.22 175.09 2rk0 s ARG 115 N -3.99 1.15 0.24 1.99 1.81 -0.72 -0.76 118.95 118.67 2rk0 s ARG 115 Ca 0.28 -1.19 -0.01 0.00 -1.72 0.00 0.00 55.73 53.09 2rk0 s ARG 115 Cb 0.02 -1.39 0.05 0.00 -0.45 0.00 0.00 34.95 33.17 2rk0 s ARG 115 CO 0.11 0.32 0.33 -0.40 -0.68 0.00 0.00 175.30 174.98 2rk0 n ASP 116 N 0.99 0.39 0.18 0.23 5.75 -0.98 -4.45 116.55 118.67 2rk0 n ASP 116 Ca -0.19 -1.34 0.18 0.00 -0.01 0.00 0.00 54.79 53.43 2rk0 n ASP 116 Cb 0.54 -0.22 0.81 0.00 -1.03 0.00 0.00 41.12 41.22 2rk0 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rk0 h ALA 117 N -0.63 1.86 -0.65 2.12 0.00 -1.94 0.16 119.26 120.18 2rk0 h ALA 117 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2rk0 h ALA 117 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2rk0 h ALA 117 CO 0.11 -0.43 0.00 -0.25 0.00 0.00 0.00 179.25 178.68 2rk0 n ASP 118 N -3.67 4.49 -0.50 0.00 8.00 -1.26 -4.93 116.55 118.69 2rk0 n ASP 118 Ca 0.03 -2.34 -0.07 0.00 0.71 0.00 0.00 54.79 53.13 2rk0 n ASP 118 Cb 0.44 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 2rk0 n ASP 118 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2rk0 n ASN 119 N 1.19 -4.52 -4.74 -2.24 4.05 0.55 -4.31 115.26 105.24 2rk0 n ASN 119 Ca 0.25 0.16 -0.42 0.00 0.45 0.00 0.00 54.58 55.03 2rk0 n ASN 119 Cb 0.81 -2.60 -0.03 0.00 1.23 0.00 0.00 39.78 39.20 2rk0 n ASN 119 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2rk0 s ILE 120 N -2.00 2.88 -0.21 -1.44 1.01 -1.26 -4.69 121.20 115.49 2rk0 s ILE 120 Ca 0.00 0.71 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 2rk0 s ILE 120 Cb 0.00 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 2rk0 s ILE 120 CO 0.00 0.10 1.23 0.00 0.00 0.00 0.00 174.94 176.26 2rk0 s ALA 121 N 0.29 3.60 0.22 9.38 0.00 -1.26 -2.31 121.76 131.68 2rk0 s ALA 121 Ca 0.60 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.96 2rk0 s ALA 121 Cb -0.40 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.03 2rk0 s ALA 121 CO 0.39 -1.29 -0.14 -0.51 0.00 0.00 0.00 175.76 174.20 2rk0 s LEU 122 N 3.64 2.55 0.03 0.00 1.43 0.06 -1.50 118.68 124.89 2rk0 s LEU 122 Ca 0.53 -1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 2rk0 s LEU 122 Cb -0.19 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2rk0 s LEU 122 CO 0.15 -0.16 0.19 -1.61 0.23 0.00 0.00 176.35 175.15 2rk0 s GLU 123 N -3.64 0.64 0.39 1.70 2.02 -0.14 -1.28 118.70 118.38 2rk0 s GLU 123 Ca 0.24 -0.54 0.05 0.00 0.02 0.00 0.00 54.97 54.73 2rk0 s GLU 123 Cb -0.01 0.27 -0.06 0.00 0.10 0.00 0.00 34.13 34.43 2rk0 s GLU 123 CO 0.08 -0.18 0.04 0.00 0.02 0.00 0.00 175.26 175.23 2rk0 s ALA 124 N -2.18 2.96 -0.30 5.21 0.00 -0.36 -0.26 121.76 126.83 2rk0 s ALA 124 Ca -0.08 -1.82 -0.17 0.00 0.00 0.00 0.00 51.96 49.89 2rk0 s ALA 124 Cb -0.03 0.41 0.20 0.00 0.00 0.00 0.00 23.12 23.70 2rk0 s ALA 124 CO -0.02 -0.20 1.25 -1.17 0.00 0.00 0.00 175.76 175.61 2rk0 s LEU 126 N -3.64 -0.11 0.63 0.00 2.96 -0.33 -1.02 118.68 117.17 2rk0 s LEU 126 Ca 0.30 0.16 -0.13 0.00 -0.22 0.00 0.00 54.13 54.25 2rk0 s LEU 126 Cb 0.08 1.14 -0.02 0.00 0.50 0.00 0.00 46.19 47.89 2rk0 s LEU 126 CO 0.15 -0.02 1.04 -0.83 -1.32 0.00 0.00 176.35 175.36 2rk0 s GLY 127 N 1.51 1.83 -0.04 7.98 0.00 -1.26 -0.74 107.32 116.59 2rk0 s GLY 127 Ca -0.05 0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.74 2rk0 s GLY 127 CO -0.13 0.44 -0.16 -2.13 0.00 0.00 0.00 173.10 171.12 2rk0 n ARG 128 N -2.59 0.24 -1.69 2.90 0.63 -0.98 -4.82 116.66 110.35 2rk0 n ARG 128 Ca 0.07 0.10 -0.44 0.00 -0.92 0.00 0.00 57.85 56.66 2rk0 n ARG 128 Cb 0.53 -0.92 -0.04 0.00 0.45 0.00 0.00 32.46 32.49 2rk0 n ARG 128 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2rk0 n GLU 129 N -3.85 2.50 -0.37 -0.14 4.07 -1.26 -1.49 120.64 120.08 2rk0 n GLU 129 Ca -0.10 0.90 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 2rk0 n GLU 129 Cb 0.32 -2.73 0.00 0.00 -0.06 0.00 0.00 31.44 28.97 2rk0 n GLU 129 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2rk0 n GLY 130 N 3.86 1.23 3.82 8.31 0.00 -1.26 -5.02 105.19 116.13 2rk0 n GLY 130 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2rk0 n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rk0 s HIS 131 N -3.00 1.72 -0.10 1.61 3.76 -0.56 -5.07 115.29 113.65 2rk0 s HIS 131 Ca 0.00 -0.95 0.15 0.00 -0.15 0.00 0.00 55.06 54.10 2rk0 s HIS 131 Cb 0.00 -1.68 0.31 0.00 1.11 0.00 0.00 32.58 32.32 2rk0 s HIS 131 CO 0.00 -0.00 1.15 0.72 -0.85 0.00 0.00 174.74 175.76 2rk0 n HIS 132 N -1.44 0.00 0.30 1.40 -0.00 -1.26 -4.80 115.22 109.42 2rk0 n HIS 132 Ca -0.15 -0.87 0.18 0.00 -0.00 0.00 0.00 57.72 56.87 2rk0 n HIS 132 Cb 0.66 -0.17 0.91 0.00 -0.00 0.00 0.00 29.99 31.39 2rk0 n HIS 132 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2rk0 h HIS 133 N 0.57 0.00 -0.46 4.41 3.86 -1.88 -1.19 115.15 120.45 2rk0 h HIS 133 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2rk0 h HIS 133 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 2rk0 h HIS 133 CO 0.31 0.04 0.00 -2.39 0.86 0.00 0.00 177.93 176.76 2rk0 n HIS 134 N -3.33 0.61 -0.77 2.45 -0.00 -1.26 -4.26 115.22 108.65 2rk0 n HIS 134 Ca -0.02 -0.30 0.08 0.00 -0.00 0.00 0.00 57.72 57.48 2rk0 n HIS 134 Cb 0.18 0.00 0.26 0.00 -0.00 0.00 0.00 29.99 30.44 2rk0 n HIS 134 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2rk0 n HIS 135 N 1.41 1.01 0.69 -1.40 8.25 -0.45 -5.27 115.22 119.47 2rk0 n HIS 135 Ca 0.20 -0.76 0.08 0.00 -0.26 0.00 0.00 57.72 56.99 2rk0 n HIS 135 Cb 0.58 -0.27 0.07 0.00 1.12 0.00 0.00 29.99 31.49 2rk0 n HIS 135 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70