#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 4.38 -0.23 1.04 0.20 -1.26 -4.96 118.68 117.85 2rk0 s LEU 3 Ca 0.00 1.81 -0.16 0.00 0.69 0.00 0.00 54.13 56.47 2rk0 s LEU 3 Cb 0.00 -3.57 -0.10 0.00 -0.43 0.00 0.00 46.19 42.09 2rk0 s LEU 3 CO 0.00 -0.33 -0.31 -1.54 -0.29 0.00 0.00 176.35 173.88 2rk0 n SER 4 N 3.84 1.94 0.00 3.68 3.41 -1.26 -5.12 113.62 120.11 2rk0 n SER 4 Ca 0.07 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2rk0 n SER 4 Cb 0.49 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.36 2.31 3.63 5.00 0.00 -1.26 -5.13 105.19 111.09 2rk0 n GLY 5 Ca -0.35 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.41 5.12 -0.02 1.61 1.01 -1.26 -4.95 120.40 121.50 2rk0 s VAL 6 Ca 0.00 0.79 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 2rk0 s VAL 6 Cb 0.00 -3.78 -0.23 0.00 0.00 0.00 0.00 36.38 32.37 2rk0 s VAL 6 CO 0.00 0.14 1.08 -1.28 0.00 0.00 0.00 175.10 175.04 2rk0 h SER 7 N 7.87 0.36 -4.06 3.32 0.87 -2.00 -3.47 113.55 116.43 2rk0 h SER 7 Ca -0.31 -0.75 0.21 0.00 -1.23 0.00 0.00 61.79 59.71 2rk0 h SER 7 Cb 1.15 -0.11 -0.21 0.00 -0.44 0.00 0.00 62.40 62.79 2rk0 h SER 7 CO 0.70 1.06 0.77 -1.38 -0.53 0.00 0.00 176.83 177.45 2rk0 s HIS 8 N -3.24 -0.17 -0.10 2.24 -3.43 -1.26 -4.36 115.29 104.97 2rk0 s HIS 8 Ca -0.15 0.17 0.02 0.00 -0.80 0.00 0.00 55.06 54.30 2rk0 s HIS 8 Cb 0.02 0.50 -0.01 0.00 -1.43 0.00 0.00 32.58 31.66 2rk0 s HIS 8 CO 0.78 -0.22 -0.17 0.08 -2.00 0.00 0.00 174.74 173.20 2rk0 s VAL 9 N -2.05 2.75 -0.21 -5.38 1.01 -0.84 -5.03 120.40 110.66 2rk0 s VAL 9 Ca 0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2rk0 s VAL 9 Cb -0.01 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2rk0 s VAL 9 CO -0.05 0.55 -0.03 -0.55 0.00 0.00 0.00 175.10 175.03 2rk0 s SER 10 N 0.07 4.52 -0.09 3.32 0.15 -1.26 -1.10 113.70 119.30 2rk0 s SER 10 Ca -0.07 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2rk0 s SER 10 Cb -0.15 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.36 2rk0 s SER 10 CO 0.05 0.02 -0.10 -0.76 1.20 0.00 0.00 173.24 173.65 2rk0 s LEU 11 N 1.25 2.96 -0.11 3.45 1.43 0.92 -4.96 118.68 123.62 2rk0 s LEU 11 Ca 0.03 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 52.75 2rk0 s LEU 11 Cb -0.14 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2rk0 s LEU 11 CO -0.00 0.27 0.65 -0.89 0.23 0.00 0.00 176.35 176.61 2rk0 s THR 12 N -0.28 5.06 0.16 5.49 2.01 -1.26 -0.41 115.64 126.41 2rk0 s THR 12 Ca 0.03 1.30 0.10 0.00 0.31 0.00 0.00 61.69 63.43 2rk0 s THR 12 Cb -0.13 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2rk0 s THR 12 CO 0.03 0.22 -0.22 0.68 -0.69 0.00 0.00 174.62 174.64 2rk0 s VAL 13 N 1.11 2.01 0.06 3.82 -7.23 -0.06 -4.90 120.40 115.21 2rk0 s VAL 13 Ca 0.33 -1.85 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 2rk0 s VAL 13 Cb -0.17 -1.88 -0.15 0.00 0.56 0.00 0.00 36.38 34.74 2rk0 s VAL 13 CO 0.14 -0.15 1.29 0.03 -0.31 0.00 0.00 175.10 176.10 2rk0 h ARG 14 N 3.50 0.60 -3.74 4.82 3.08 -1.92 -3.37 114.38 117.34 2rk0 h ARG 14 Ca -0.45 -0.44 -0.55 0.00 0.07 0.00 0.00 59.98 58.61 2rk0 h ARG 14 Cb 1.20 0.07 -0.40 0.00 0.08 0.00 0.00 29.97 30.93 2rk0 h ARG 14 CO 0.46 1.06 -0.77 0.34 -1.07 0.00 0.00 179.97 179.99 2rk0 s ASP 15 N -6.69 3.39 0.15 7.04 -1.08 -1.26 -4.87 116.67 113.35 2rk0 s ASP 15 Ca -0.12 -1.09 -0.25 0.00 -0.52 0.00 0.00 52.55 50.57 2rk0 s ASP 15 Cb 0.07 -0.79 0.02 0.00 -1.46 0.00 0.00 42.92 40.75 2rk0 s ASP 15 CO 0.84 -0.31 1.60 0.25 0.52 0.00 0.00 175.17 178.06 2rk0 h LEU 16 N 8.14 -1.06 -0.54 -1.34 5.85 -1.94 -0.15 115.31 124.26 2rk0 h LEU 16 Ca -0.16 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2rk0 h LEU 16 Cb 1.08 0.47 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 2rk0 h LEU 16 CO 0.38 -0.34 0.29 0.44 -0.34 0.00 0.00 178.44 178.87 2rk0 h ASP 17 N -0.32 0.42 -0.56 1.25 3.32 -1.99 0.32 116.42 118.86 2rk0 h ASP 17 Ca 0.13 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2rk0 h ASP 17 Cb 0.54 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 2rk0 h ASP 17 CO -0.45 0.29 0.24 0.40 -1.72 0.00 0.00 179.24 178.00 2rk0 h ILE 18 N 0.55 1.22 -0.22 0.35 2.04 -1.89 -2.31 117.51 117.25 2rk0 h ILE 18 Ca 0.24 -0.65 -0.13 0.00 1.00 0.00 0.00 64.86 65.31 2rk0 h ILE 18 Cb 0.13 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2rk0 h ILE 18 CO -0.16 0.26 -0.42 0.28 0.00 0.00 0.00 178.15 178.11 2rk0 h SER 19 N 0.77 0.57 -0.60 1.72 0.02 -0.42 -1.70 113.55 113.90 2rk0 h SER 19 Ca 0.19 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2rk0 h SER 19 Cb 0.17 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2rk0 h SER 19 CO -0.02 0.92 0.33 0.00 -1.14 0.00 0.00 176.83 176.92 2rk0 h ARG 21 N 0.82 0.80 0.08 0.00 3.08 -1.31 -1.65 114.38 116.20 2rk0 h ARG 21 Ca 0.21 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2rk0 h ARG 21 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2rk0 h ARG 21 CO -0.03 0.89 -0.04 2.35 -1.07 0.00 0.00 179.97 182.07 2rk0 h TRP 22 N 0.64 -0.10 -0.42 3.04 7.01 -0.92 -0.41 115.95 124.79 2rk0 h TRP 22 Ca 0.12 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 2rk0 h TRP 22 Cb 0.55 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 2rk0 h TRP 22 CO 0.04 -0.00 0.03 1.88 -2.79 0.00 0.00 178.44 177.60 2rk0 h TYR 23 N -0.16 0.67 -0.16 2.65 -1.99 -1.04 0.16 116.97 117.10 2rk0 h TYR 23 Ca -0.01 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.63 2rk0 h TYR 23 Cb 0.14 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 2rk0 h TYR 23 CO -0.05 0.62 0.01 1.15 -0.00 0.00 0.00 178.16 179.90 2rk0 h THR 24 N 0.62 1.24 -0.17 -2.88 2.02 -1.05 -1.27 112.91 111.41 2rk0 h THR 24 Ca 0.13 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 2rk0 h THR 24 Cb 0.34 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2rk0 h THR 24 CO 0.01 0.23 -0.13 -0.08 0.37 0.00 0.00 175.52 175.91 2rk0 h GLU 25 N 0.04 0.40 0.05 6.66 4.81 -0.83 -1.81 114.58 123.89 2rk0 h GLU 25 Ca 0.05 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 58.94 2rk0 h GLU 25 Cb 0.34 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.73 2rk0 h GLU 25 CO 0.01 0.74 -0.59 0.82 -0.73 0.00 0.00 179.01 179.26 2rk0 h ILE 26 N 0.06 1.50 -0.19 2.32 1.08 -1.03 -3.39 117.51 117.85 2rk0 h ILE 26 Ca 0.03 -2.23 0.00 0.00 -0.39 0.00 0.00 64.86 62.27 2rk0 h ILE 26 Cb 0.65 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 2rk0 h ILE 26 CO 0.04 0.63 0.00 0.18 -0.69 0.00 0.00 178.15 178.31 2rk0 n LEU 27 N -4.25 2.41 -1.63 1.44 4.77 -0.52 -4.91 117.00 114.30 2rk0 n LEU 27 Ca -0.11 -1.68 -0.17 0.00 -0.03 0.00 0.00 56.01 54.02 2rk0 n LEU 27 Cb 0.69 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 2rk0 n LEU 27 CO 0.45 0.57 -0.19 0.47 -1.33 0.00 0.00 177.39 177.37 2rk0 n ASP 28 N 0.37 -4.96 -4.73 -1.43 8.00 -0.68 -4.49 116.55 108.63 2rk0 n ASP 28 Ca 0.08 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.32 2rk0 n ASP 28 Cb 0.34 -4.00 -0.02 0.00 -0.02 0.00 0.00 41.12 37.42 2rk0 n ASP 28 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2rk0 n TRP 29 N -3.38 2.71 -3.93 1.24 -0.00 -0.95 -4.44 117.44 108.69 2rk0 n TRP 29 Ca -0.18 0.33 -0.35 0.00 -0.00 0.00 0.00 57.50 57.30 2rk0 n TRP 29 Cb 0.61 -2.55 -0.14 0.00 -0.00 0.00 0.00 31.31 29.22 2rk0 n TRP 29 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2rk0 s LYS 30 N -0.76 2.39 0.13 5.87 2.20 0.12 -4.21 119.74 125.48 2rk0 s LYS 30 Ca 0.63 -1.29 -0.31 0.00 -0.36 0.00 0.00 55.97 54.64 2rk0 s LYS 30 Cb -0.53 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 2rk0 s LYS 30 CO 0.51 -0.62 1.57 -2.00 -0.36 0.00 0.00 175.35 174.45 2rk0 s GLU 31 N 1.23 4.22 -0.25 4.03 2.12 -1.26 -1.12 118.70 127.66 2rk0 s GLU 31 Ca -0.05 2.31 -0.04 0.00 0.36 0.00 0.00 54.97 57.55 2rk0 s GLU 31 Cb -0.20 -3.30 -0.14 0.00 0.26 0.00 0.00 34.13 30.75 2rk0 s GLU 31 CO -0.02 -0.62 -0.27 1.28 -0.54 0.00 0.00 175.26 175.10 2rk0 n LEU 32 N 4.44 2.54 -3.70 2.70 4.77 0.16 -4.94 117.00 122.98 2rk0 n LEU 32 Ca 0.14 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 2rk0 n LEU 32 Cb 0.40 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 2rk0 n LEU 32 CO 0.61 0.77 0.11 0.54 -1.33 0.00 0.00 177.39 178.09 2rk0 s VAL 33 N -2.49 0.07 0.25 4.08 0.11 -1.10 -5.02 120.40 116.30 2rk0 s VAL 33 Ca -0.35 -0.55 0.11 0.00 -2.93 0.00 0.00 61.98 58.27 2rk0 s VAL 33 Cb 0.11 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 2rk0 s VAL 33 CO 0.53 -0.30 -0.19 -0.60 -3.33 0.00 0.00 175.10 171.21 2rk0 s ARG 34 N -2.56 1.58 0.22 1.54 3.52 -1.26 -0.76 118.95 121.22 2rk0 s ARG 34 Ca -0.05 -1.71 -0.22 0.00 -0.13 0.00 0.00 55.73 53.63 2rk0 s ARG 34 Cb -0.01 -1.60 0.07 0.00 -1.56 0.00 0.00 34.95 31.85 2rk0 s ARG 34 CO -0.03 0.30 0.95 0.20 -0.81 0.00 0.00 175.30 175.90 2rk0 s GLY 35 N -3.41 0.03 -0.05 8.12 0.00 -0.37 -4.98 107.32 106.67 2rk0 s GLY 35 Ca 0.27 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.76 2rk0 s GLY 35 CO 0.13 0.97 -0.09 -1.60 0.00 0.00 0.00 173.10 172.50 2rk0 s ARG 36 N -2.67 1.31 0.00 2.90 6.06 -1.26 -1.28 118.95 124.01 2rk0 s ARG 36 Ca 0.17 -0.31 0.00 0.00 -2.50 0.00 0.00 55.73 53.09 2rk0 s ARG 36 Cb -0.03 -1.15 0.00 0.00 0.06 0.00 0.00 34.95 33.84 2rk0 s ARG 36 CO 0.06 0.02 0.00 0.41 -2.50 0.00 0.00 175.30 173.28 2rk0 n GLY 37 N 3.76 2.47 0.09 8.12 0.00 0.56 -4.97 105.19 115.21 2rk0 n GLY 37 Ca -0.23 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.53 2rk0 n GLY 37 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2rk0 h ASP 38 N 0.00 0.16 0.00 1.61 3.32 -2.02 -3.31 116.42 116.17 2rk0 h ASP 38 Ca 0.00 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2rk0 h ASP 38 Cb 0.00 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 2rk0 h ASP 38 CO 0.00 0.20 -0.31 0.35 -1.72 0.00 0.00 179.24 177.76 2rk0 n THR 39 N -4.95 1.34 -3.79 0.35 -2.24 -1.26 -5.07 114.28 98.67 2rk0 n THR 39 Ca -0.05 -1.82 -0.10 0.00 -2.27 0.00 0.00 64.05 59.81 2rk0 n THR 39 Cb 0.08 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.02 0.07 -0.02 4.28 -4.23 -1.25 -0.05 115.64 112.43 2rk0 s THR 40 Ca 0.26 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.87 2rk0 s THR 40 Cb 0.24 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.61 2rk0 s THR 40 CO -0.02 -0.34 -0.19 -0.44 -0.54 0.00 0.00 174.62 173.09 2rk0 s SER 41 N -2.87 2.29 0.18 3.99 0.01 -0.12 0.21 113.70 117.39 2rk0 s SER 41 Ca 0.08 -0.36 -0.00 0.00 1.31 0.00 0.00 55.95 56.99 2rk0 s SER 41 Cb 0.02 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 2rk0 s SER 41 CO -0.07 0.23 0.08 0.72 0.41 0.00 0.00 173.24 174.62 2rk0 s PHE 42 N -0.41 1.14 -0.10 2.43 -0.12 -0.40 0.10 117.98 120.62 2rk0 s PHE 42 Ca 0.06 -1.25 -0.04 0.00 -0.05 0.00 0.00 56.93 55.65 2rk0 s PHE 42 Cb -0.08 -0.61 0.05 0.00 -0.63 0.00 0.00 43.02 41.75 2rk0 s PHE 42 CO -0.00 -0.49 0.21 0.00 -0.05 0.00 0.00 175.22 174.88 2rk0 s ALA 43 N -3.99 -0.35 -0.23 1.99 0.00 -0.00 -1.23 121.76 117.94 2rk0 s ALA 43 Ca 0.32 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 2rk0 s ALA 43 Cb 0.07 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 2rk0 s ALA 43 CO 0.08 -0.55 0.20 -1.58 0.00 0.00 0.00 175.76 173.91 2rk0 s HIS 44 N 2.21 3.33 0.26 0.00 2.46 0.06 -0.73 115.29 122.88 2rk0 s HIS 44 Ca 0.01 0.29 0.02 0.00 0.47 0.00 0.00 55.06 55.85 2rk0 s HIS 44 Cb -0.12 -2.31 -0.04 0.00 -0.13 0.00 0.00 32.58 29.98 2rk0 s HIS 44 CO -0.07 0.05 0.14 0.20 -2.47 0.00 0.00 174.74 172.59 2rk0 s GLY 45 N 1.05 1.81 0.01 1.59 0.00 -0.24 0.36 107.32 111.90 2rk0 s GLY 45 Ca 0.09 -1.79 0.03 0.00 0.00 0.00 0.00 44.72 43.05 2rk0 s GLY 45 CO 0.05 -1.54 -0.10 -1.34 0.00 0.00 0.00 173.10 170.18 2rk0 s VAL 46 N -3.79 0.76 0.47 1.40 -7.23 -0.28 -0.58 120.40 111.15 2rk0 s VAL 46 Ca 0.37 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 2rk0 s VAL 46 Cb 0.06 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.34 2rk0 s VAL 46 CO 0.15 0.09 0.69 -0.76 -0.31 0.00 0.00 175.10 174.96 2rk0 s LEU 47 N -0.56 3.57 0.51 1.32 1.43 0.52 -0.71 118.68 124.75 2rk0 s LEU 47 Ca 0.01 0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 2rk0 s LEU 47 Cb -0.05 -3.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.02 2rk0 s LEU 47 CO 0.00 -0.80 1.37 -2.84 0.23 0.00 0.00 176.35 174.31 2rk0 s PRO 48 N -4.60 3.37 0.00 1.29 0.02 -1.26 -0.59 135.00 133.24 2rk0 s PRO 48 Ca 0.50 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.80 2rk0 s PRO 48 Cb -0.10 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 32.01 2rk0 s PRO 48 CO 0.38 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 2rk0 n GLY 49 N 0.66 3.46 0.07 0.52 0.00 -1.26 -4.46 105.19 104.18 2rk0 n GLY 49 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.94 0.26 3.72 -0.02 0.00 0.24 -5.07 105.19 102.39 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 -0.12 0.99 2.96 -1.24 -4.68 118.68 120.96 2rk0 s LEU 51 Ca 0.00 2.66 -0.21 0.00 -0.22 0.00 0.00 54.13 56.35 2rk0 s LEU 51 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2rk0 s LEU 51 CO 0.00 -0.82 0.63 -0.44 -1.32 0.00 0.00 176.35 174.40 2rk0 s SER 52 N 0.98 6.82 -0.11 3.68 0.01 -1.26 -0.36 113.70 123.47 2rk0 s SER 52 Ca 0.68 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.94 2rk0 s SER 52 Cb -0.44 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.45 2rk0 s SER 52 CO 0.34 -0.14 -0.10 -0.63 0.41 0.00 0.00 173.24 173.13 2rk0 s ILE 53 N 1.11 1.14 -0.18 1.44 -1.09 0.26 -1.98 121.20 121.90 2rk0 s ILE 53 Ca 0.32 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 58.30 2rk0 s ILE 53 Cb -0.16 -1.12 -0.03 0.00 -1.58 0.00 0.00 42.46 39.56 2rk0 s ILE 53 CO 0.14 0.38 0.02 -0.69 -1.23 0.00 0.00 174.94 173.56 2rk0 s VAL 54 N 1.46 4.40 -0.20 2.92 1.01 -0.25 -1.08 120.40 128.65 2rk0 s VAL 54 Ca 0.01 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 2rk0 s VAL 54 Cb -0.13 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2rk0 s VAL 54 CO -0.06 0.46 0.05 -0.76 0.00 0.00 0.00 175.10 174.80 2rk0 s LEU 55 N 0.46 3.63 -0.09 3.92 1.43 0.09 -0.05 118.68 128.07 2rk0 s LEU 55 Ca 0.00 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2rk0 s LEU 55 Cb -0.13 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2rk0 s LEU 55 CO 0.02 0.11 -0.13 -0.60 0.23 0.00 0.00 176.35 175.98 2rk0 s ARG 56 N 0.75 1.91 -0.24 1.70 3.52 0.46 -0.82 118.95 126.24 2rk0 s ARG 56 Ca 0.03 -0.45 -0.09 0.00 -0.13 0.00 0.00 55.73 55.08 2rk0 s ARG 56 Cb -0.14 -1.67 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 2rk0 s ARG 56 CO 0.02 -0.07 0.13 -2.00 -0.81 0.00 0.00 175.30 172.57 2rk0 s GLU 57 N 1.00 3.94 -0.03 5.12 2.12 0.12 -0.88 118.70 130.09 2rk0 s GLU 57 Ca -0.07 -0.34 -0.13 0.00 0.36 0.00 0.00 54.97 54.79 2rk0 s GLU 57 Cb -0.15 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 2rk0 s GLU 57 CO -0.01 0.01 0.34 -1.01 -0.54 0.00 0.00 175.26 174.06 2rk0 s HIS 58 N 1.15 3.70 0.57 5.30 3.76 -1.26 -0.95 115.29 127.56 2rk0 s HIS 58 Ca 0.06 0.88 -0.18 0.00 -0.15 0.00 0.00 55.06 55.67 2rk0 s HIS 58 Cb -0.14 -2.21 -0.08 0.00 1.11 0.00 0.00 32.58 31.27 2rk0 s HIS 58 CO 0.05 0.67 0.67 -0.25 -0.85 0.00 0.00 174.74 175.02 2rk0 n ASP 59 N 1.87 -0.45 -4.23 1.40 8.00 0.93 -2.98 116.55 121.08 2rk0 n ASP 59 Ca -0.15 0.77 -0.37 0.00 0.71 0.00 0.00 54.79 55.75 2rk0 n ASP 59 Cb 0.53 -1.24 -0.07 0.00 -0.02 0.00 0.00 41.12 40.32 2rk0 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rk0 n GLY 60 N 1.62 -0.40 3.77 0.44 0.00 -1.26 -4.88 105.19 104.48 2rk0 n GLY 60 Ca 0.12 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2rk0 n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rk0 s GLY 61 N -3.05 2.79 0.00 -0.02 0.00 -1.16 -5.03 107.32 100.85 2rk0 s GLY 61 Ca 0.72 0.86 0.00 0.00 0.00 0.00 0.00 44.72 46.30 2rk0 s GLY 61 CO 0.89 1.32 0.00 0.61 0.00 0.00 0.00 173.10 175.92 2rk0 n GLY 62 N 0.46 -2.32 0.01 0.20 0.00 -1.26 -4.92 105.19 97.37 2rk0 n GLY 62 Ca 0.06 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.82 2rk0 n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rk0 n THR 63 N -0.60 0.05 -1.32 2.61 5.66 -1.26 -4.99 114.28 114.43 2rk0 n THR 63 Ca 0.00 -0.09 -0.50 0.00 -3.05 0.00 0.00 64.05 60.41 2rk0 n THR 63 Cb 0.00 0.49 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 2rk0 n THR 63 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2rk0 n ASP 64 N -1.67 -0.41 -5.01 1.09 8.00 -1.26 -4.99 116.55 112.31 2rk0 n ASP 64 Ca 0.04 1.04 -0.18 0.00 0.71 0.00 0.00 54.79 56.39 2rk0 n ASP 64 Cb 0.37 -0.84 0.03 0.00 -0.02 0.00 0.00 41.12 40.66 2rk0 n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2rk0 s LEU 65 N 0.96 3.46 0.52 0.64 1.43 -1.26 -4.95 118.68 119.48 2rk0 s LEU 65 Ca 0.74 -0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 53.10 2rk0 s LEU 65 Cb -1.04 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 2rk0 s LEU 65 CO 0.51 -0.98 1.39 0.12 0.23 0.00 0.00 176.35 177.62 2rk0 s PHE 66 N -2.49 2.31 -0.19 0.29 5.36 -0.67 -5.01 117.98 117.57 2rk0 s PHE 66 Ca 0.57 1.33 -0.05 0.00 -0.96 0.00 0.00 56.93 57.82 2rk0 s PHE 66 Cb -0.09 -3.86 0.07 0.00 -0.34 0.00 0.00 43.02 38.80 2rk0 s PHE 66 CO 0.35 -2.99 0.12 0.34 -1.46 0.00 0.00 175.22 171.59 2rk0 s ASP 67 N -0.78 2.31 0.55 6.13 -1.08 -1.26 -4.90 116.67 117.65 2rk0 s ASP 67 Ca 0.68 -0.63 0.31 0.00 -0.52 0.00 0.00 52.55 52.39 2rk0 s ASP 67 Cb -0.42 -0.14 1.47 0.00 -1.46 0.00 0.00 42.92 42.37 2rk0 s ASP 67 CO 0.51 -0.36 1.87 -0.33 0.52 0.00 0.00 175.17 177.38 2rk0 h GLU 68 N 8.40 0.00 0.00 4.34 3.07 -1.87 -0.47 114.58 128.04 2rk0 h GLU 68 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2rk0 h GLU 68 Cb 1.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2rk0 h GLU 68 CO 0.31 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.17 2rk0 n THR 69 N -4.10 0.23 -3.07 1.13 -2.24 -1.26 -4.74 114.28 100.23 2rk0 n THR 69 Ca 0.17 0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.61 2rk0 n THR 69 Cb 0.93 -0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 68.49 2rk0 n THR 69 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2rk0 s ARG 70 N -2.89 4.42 0.36 -0.78 3.52 -0.19 -5.00 118.95 118.39 2rk0 s ARG 70 Ca 0.15 0.89 -0.25 0.00 -0.13 0.00 0.00 55.73 56.39 2rk0 s ARG 70 Cb 0.17 -3.40 -0.13 0.00 -1.56 0.00 0.00 34.95 30.03 2rk0 s ARG 70 CO 0.45 0.20 0.89 -2.30 -0.81 0.00 0.00 175.30 173.72 2rk0 n PRO 71 N 3.25 1.12 0.00 5.12 -0.02 -1.26 -4.50 135.00 138.72 2rk0 n PRO 71 Ca -0.03 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2rk0 n PRO 71 Cb 0.51 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 1.36 0.39 3.72 -1.23 0.00 -1.26 -5.05 105.19 103.12 2rk0 n GLY 72 Ca 0.10 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 4.44 -0.24 0.99 2.96 -1.26 -4.92 118.68 120.65 2rk0 s LEU 73 Ca 0.00 1.71 -0.18 0.00 -0.22 0.00 0.00 54.13 55.44 2rk0 s LEU 73 Cb 0.00 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.99 2rk0 s LEU 73 CO 0.00 -0.14 -0.07 -0.67 -1.32 0.00 0.00 176.35 174.15 2rk0 n ASP 74 N 3.24 1.91 -3.60 3.68 2.03 -1.26 -4.67 116.55 117.87 2rk0 n ASP 74 Ca 0.03 0.39 -0.07 0.00 0.52 0.00 0.00 54.79 55.66 2rk0 n ASP 74 Cb 0.50 -0.89 -0.05 0.00 -0.72 0.00 0.00 41.12 39.96 2rk0 n ASP 74 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2rk0 s HIS 75 N -2.44 -0.23 -0.18 -0.67 -3.43 -1.26 -4.64 115.29 102.44 2rk0 s HIS 75 Ca -0.33 0.40 -0.05 0.00 -0.80 0.00 0.00 55.06 54.27 2rk0 s HIS 75 Cb 0.10 0.47 -0.03 0.00 -1.43 0.00 0.00 32.58 31.69 2rk0 s HIS 75 CO 0.53 -0.22 0.00 -1.17 -2.00 0.00 0.00 174.74 171.89 2rk0 s LEU 76 N -1.07 3.38 -0.22 5.38 2.96 -0.83 -5.01 118.68 123.27 2rk0 s LEU 76 Ca 0.03 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2rk0 s LEU 76 Cb -0.01 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 2rk0 s LEU 76 CO -0.02 0.12 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.54 2rk0 s SER 77 N 0.66 4.31 0.03 3.68 0.15 -1.26 -1.05 113.70 120.22 2rk0 s SER 77 Ca -0.00 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.09 2rk0 s SER 77 Cb -0.14 -1.73 -0.06 0.00 -1.71 0.00 0.00 66.02 62.38 2rk0 s SER 77 CO 0.02 -0.03 0.38 -0.36 1.20 0.00 0.00 173.24 174.45 2rk0 s PHE 78 N 1.47 3.65 0.05 3.44 0.08 0.13 -4.97 117.98 121.83 2rk0 s PHE 78 Ca 0.05 0.86 -0.10 0.00 0.12 0.00 0.00 56.93 57.87 2rk0 s PHE 78 Cb -0.14 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.05 2rk0 s PHE 78 CO -0.03 0.59 0.36 -1.54 -0.10 0.00 0.00 175.22 174.50 2rk0 s SER 79 N -1.40 6.62 0.34 1.36 1.04 -1.26 -4.07 113.70 116.32 2rk0 s SER 79 Ca 0.27 0.75 0.07 0.00 0.48 0.00 0.00 55.95 57.52 2rk0 s SER 79 Cb -0.15 -2.16 -0.07 0.00 0.10 0.00 0.00 66.02 63.74 2rk0 s SER 79 CO 0.15 0.21 -0.03 0.68 0.98 0.00 0.00 173.24 175.23 2rk0 s VAL 80 N -1.33 1.84 -0.05 5.02 -7.23 -1.26 -5.03 120.40 112.35 2rk0 s VAL 80 Ca 0.30 -2.10 0.12 0.00 -1.81 0.00 0.00 61.98 58.49 2rk0 s VAL 80 Cb -0.14 -2.70 -0.23 0.00 0.56 0.00 0.00 36.38 33.87 2rk0 s VAL 80 CO 0.17 -0.15 0.64 -0.62 -0.31 0.00 0.00 175.10 174.83 2rk0 n GLU 81 N -0.76 0.64 0.00 4.82 1.02 -1.26 -4.67 120.64 120.44 2rk0 n GLU 81 Ca -0.05 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2rk0 n GLU 81 Cb 0.65 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2rk0 n GLU 81 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2rk0 n SER 82 N -3.06 0.00 0.00 1.62 3.41 -1.26 -5.05 113.62 109.28 2rk0 n SER 82 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2rk0 n SER 82 Cb 1.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 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 -0.33 6.66 -1.04 -1.26 -3.69 114.28 114.63 2rk0 n THR 84 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 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 1.09 -0.30 8.00 3.32 -1.99 -0.28 116.42 126.25 2rk0 h ASP 85 Ca 0.00 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 2rk0 h ASP 85 Cb 0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2rk0 h ASP 85 CO 0.00 0.86 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.93 2rk0 h LEU 86 N 1.22 0.91 -0.47 1.55 3.38 -1.98 -1.53 115.31 118.39 2rk0 h LEU 86 Ca 0.31 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2rk0 h LEU 86 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2rk0 h LEU 86 CO -0.05 1.18 0.21 0.44 0.09 0.00 0.00 178.44 180.31 2rk0 h ASP 87 N 0.70 0.63 -0.61 -0.43 3.32 -1.78 -0.70 116.42 117.55 2rk0 h ASP 87 Ca 0.06 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2rk0 h ASP 87 Cb 0.95 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 2rk0 h ASP 87 CO 0.09 0.60 0.30 0.58 -1.72 0.00 0.00 179.24 179.09 2rk0 h VAL 88 N 0.62 1.21 -0.27 -1.35 2.07 -0.97 -1.65 116.25 115.92 2rk0 h VAL 88 Ca 0.16 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2rk0 h VAL 88 Cb 0.15 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2rk0 h VAL 88 CO -0.02 0.24 0.16 -0.07 0.02 0.00 0.00 177.57 177.91 2rk0 h LEU 89 N 0.83 0.32 -0.85 2.57 3.38 -0.92 -1.11 115.31 119.53 2rk0 h LEU 89 Ca 0.21 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2rk0 h LEU 89 Cb 0.11 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2rk0 h LEU 89 CO -0.03 0.28 0.53 -0.33 0.09 0.00 0.00 178.44 178.99 2rk0 h GLU 90 N 0.33 0.96 -0.46 1.13 5.08 -0.90 0.17 114.58 120.89 2rk0 h GLU 90 Ca 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2rk0 h GLU 90 Cb 0.02 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2rk0 h GLU 90 CO -0.02 0.63 0.20 1.49 -1.00 0.00 0.00 179.01 180.31 2rk0 h GLU 91 N 0.99 0.67 -0.42 2.33 4.81 -0.89 -0.44 114.58 121.62 2rk0 h GLU 91 Ca 0.37 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2rk0 h GLU 91 Cb 0.14 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2rk0 h GLU 91 CO -0.16 0.60 0.01 0.00 -0.73 0.00 0.00 179.01 178.72 2rk0 h ARG 92 N 0.59 0.74 -0.30 1.92 3.08 -0.56 -1.70 114.38 118.15 2rk0 h ARG 92 Ca 0.15 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2rk0 h ARG 92 Cb 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2rk0 h ARG 92 CO -0.01 0.81 0.16 -0.07 -1.07 0.00 0.00 179.97 179.79 2rk0 h LEU 93 N 0.58 0.38 -0.38 3.04 3.38 -0.51 -1.32 115.31 120.47 2rk0 h LEU 93 Ca 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2rk0 h LEU 93 Cb 0.47 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2rk0 h LEU 93 CO 0.02 0.37 0.24 0.00 0.09 0.00 0.00 178.44 179.15 2rk0 h ALA 94 N 1.03 0.49 -0.41 1.53 0.00 -1.02 -0.32 119.26 120.55 2rk0 h ALA 94 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2rk0 h ALA 94 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2rk0 h ALA 94 CO -0.02 -0.03 0.21 -0.22 0.00 0.00 0.00 179.25 179.19 2rk0 h LYS 95 N 0.51 0.57 -0.01 0.00 3.64 -1.10 -1.01 116.57 119.17 2rk0 h LYS 95 Ca 0.14 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2rk0 h LYS 95 Cb -0.02 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2rk0 h LYS 95 CO -0.03 0.44 -0.06 0.00 -2.27 0.00 0.00 179.45 177.53 2rk0 n ALA 96 N -2.47 2.70 -2.05 5.00 0.00 -0.52 -4.90 120.51 118.27 2rk0 n ALA 96 Ca 0.03 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.04 2rk0 n ALA 96 Cb 0.11 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 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 1.19 0.20 3.86 0.00 0.00 -0.38 -4.99 105.19 105.07 2rk0 n GLY 97 Ca 0.18 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.66 3.10 0.03 4.61 0.00 -0.22 -5.02 121.76 121.60 2rk0 s ALA 98 Ca 0.00 0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.72 2rk0 s ALA 98 Cb 0.00 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 2rk0 s ALA 98 CO 0.00 -0.43 0.85 0.00 0.00 0.00 0.00 175.76 176.17 2rk0 s ALA 99 N -2.87 3.28 -0.17 0.00 0.00 -1.26 -4.69 121.76 116.06 2rk0 s ALA 99 Ca 0.56 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 2rk0 s ALA 99 Cb -0.10 -3.13 0.12 0.00 0.00 0.00 0.00 23.12 20.01 2rk0 s ALA 99 CO 0.42 -0.06 0.99 -0.59 0.00 0.00 0.00 175.76 176.52 2rk0 s PHE 100 N 0.39 -0.39 -0.18 0.00 -0.12 -1.26 -2.07 117.98 114.35 2rk0 s PHE 100 Ca 0.43 0.71 -0.06 0.00 -0.05 0.00 0.00 56.93 57.97 2rk0 s PHE 100 Cb -0.21 0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 2rk0 s PHE 100 CO 0.25 -0.34 0.02 0.99 -0.05 0.00 0.00 175.22 176.08 2rk0 s THR 101 N -0.96 4.28 0.55 -4.49 2.01 -0.55 -5.02 115.64 111.46 2rk0 s THR 101 Ca -0.02 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 2rk0 s THR 101 Cb -0.01 -2.92 -0.08 0.00 0.01 0.00 0.00 72.50 69.50 2rk0 s THR 101 CO 0.01 0.46 0.65 -2.65 -0.69 0.00 0.00 174.62 172.39 2rk0 n PRO 102 N 3.77 0.66 -1.61 4.92 -0.02 -1.26 -3.70 135.00 137.76 2rk0 n PRO 102 Ca -0.17 0.25 -0.57 0.00 -2.02 0.00 0.00 63.50 60.99 2rk0 n PRO 102 Cb 0.52 -1.79 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.52 0.06 -4.84 3.45 -1.04 -1.26 -4.84 114.28 104.29 2rk0 n THR 103 Ca 0.12 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.79 2rk0 n THR 103 Cb 0.46 -0.63 -0.13 0.00 -1.82 0.00 0.00 70.33 68.20 2rk0 n THR 103 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2rk0 s GLN 104 N 1.23 2.74 -0.18 -2.82 -0.21 -0.49 -4.93 119.66 115.01 2rk0 s GLN 104 Ca 0.91 -0.68 -0.20 0.00 0.02 0.00 0.00 55.36 55.41 2rk0 s GLN 104 Cb -1.13 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 2rk0 s GLN 104 CO 0.57 0.52 0.60 -2.00 -2.12 0.00 0.00 175.29 172.86 2rk0 s GLU 105 N -0.46 4.24 0.48 2.91 2.12 -1.26 -1.42 118.70 125.31 2rk0 s GLU 105 Ca 0.06 0.58 0.03 0.00 0.36 0.00 0.00 54.97 55.99 2rk0 s GLU 105 Cb -0.12 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 2rk0 s GLU 105 CO 0.02 -0.15 0.01 -0.51 -0.54 0.00 0.00 175.26 174.09 2rk0 s LEU 106 N 1.61 2.44 0.25 2.70 1.43 0.16 -5.00 118.68 122.27 2rk0 s LEU 106 Ca 0.28 -1.58 -0.03 0.00 -1.03 0.00 0.00 54.13 51.77 2rk0 s LEU 106 Cb -0.16 -0.76 0.43 0.00 0.03 0.00 0.00 46.19 45.73 2rk0 s LEU 106 CO 0.11 -0.75 1.81 -0.65 0.23 0.00 0.00 176.35 177.10 2rk0 h PRO 107 N 1.47 0.79 -0.30 1.29 0.11 -2.03 -2.75 132.00 130.58 2rk0 h PRO 107 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2rk0 h PRO 107 Cb 1.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2rk0 h PRO 107 CO 0.76 0.52 0.00 1.97 -0.21 0.00 0.00 178.00 181.04 2rk0 n PHE 108 N -4.73 0.38 -1.67 0.65 1.16 -1.26 -4.96 117.46 107.03 2rk0 n PHE 108 Ca 0.15 -0.19 0.00 0.00 -1.87 0.00 0.00 57.45 55.54 2rk0 n PHE 108 Cb 0.30 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 2rk0 n PHE 108 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2rk0 n GLY 109 N 1.38 0.06 3.57 4.97 0.00 -1.04 -2.27 105.19 111.87 2rk0 n GLY 109 Ca 0.18 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.51 3.13 -0.06 1.61 0.51 -0.53 0.36 118.94 121.44 2rk0 s TRP 110 Ca 0.00 -0.09 0.04 0.00 -2.12 0.00 0.00 56.10 53.93 2rk0 s TRP 110 Cb 0.00 -1.98 -0.00 0.00 -0.81 0.00 0.00 33.47 30.68 2rk0 s TRP 110 CO 0.00 0.10 -0.19 0.42 -0.51 0.00 0.00 176.95 176.77 2rk0 s ILE 111 N 0.20 1.60 -0.27 2.03 1.01 -0.51 -0.99 121.20 124.28 2rk0 s ILE 111 Ca 0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 2rk0 s ILE 111 Cb -0.13 -1.38 0.04 0.00 0.01 0.00 0.00 42.46 41.00 2rk0 s ILE 111 CO 0.02 0.46 -0.05 -0.22 0.00 0.00 0.00 174.94 175.14 2rk0 s LEU 112 N 0.17 3.46 -0.20 2.97 2.96 -0.09 -1.40 118.68 126.55 2rk0 s LEU 112 Ca -0.08 -1.12 -0.10 0.00 -0.22 0.00 0.00 54.13 52.61 2rk0 s LEU 112 Cb -0.14 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 2rk0 s LEU 112 CO 0.04 -0.18 0.12 0.00 -1.32 0.00 0.00 176.35 175.01 2rk0 s ALA 113 N 1.25 3.62 0.24 5.97 0.00 -1.24 -1.16 121.76 130.43 2rk0 s ALA 113 Ca -0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 2rk0 s ALA 113 Cb -0.18 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2rk0 s ALA 113 CO -0.04 0.09 0.26 -0.59 0.00 0.00 0.00 175.76 175.49 2rk0 s PHE 114 N 0.50 1.05 -0.02 0.00 -0.12 -0.07 -1.48 117.98 117.83 2rk0 s PHE 114 Ca 0.07 -1.26 0.06 0.00 -0.05 0.00 0.00 56.93 55.75 2rk0 s PHE 114 Cb -0.12 -0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 41.89 2rk0 s PHE 114 CO -0.00 -0.79 -0.20 1.03 -0.05 0.00 0.00 175.22 175.20 2rk0 s ARG 115 N -3.94 1.68 0.04 1.99 1.81 -0.88 -0.80 118.95 118.85 2rk0 s ARG 115 Ca 0.35 -0.71 -0.00 0.00 -1.72 0.00 0.00 55.73 53.64 2rk0 s ARG 115 Cb 0.04 -1.59 0.01 0.00 -0.45 0.00 0.00 34.95 32.95 2rk0 s ARG 115 CO 0.14 0.41 0.05 -0.40 -0.68 0.00 0.00 175.30 174.82 2rk0 n ASP 116 N 2.65 0.03 0.29 0.23 5.75 -0.94 -4.50 116.55 120.07 2rk0 n ASP 116 Ca -0.15 -1.03 0.18 0.00 -0.01 0.00 0.00 54.79 53.78 2rk0 n ASP 116 Cb 0.53 -0.04 1.00 0.00 -1.03 0.00 0.00 41.12 41.58 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 -1.32 1.39 -0.30 2.12 0.00 -1.95 -1.20 119.26 118.00 2rk0 h ALA 117 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2rk0 h ALA 117 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2rk0 h ALA 117 CO 0.01 -0.11 0.01 -0.25 0.00 0.00 0.00 179.25 178.91 2rk0 n ASP 118 N -3.46 3.91 -0.26 0.00 8.00 -1.26 -4.93 116.55 118.55 2rk0 n ASP 118 Ca -0.02 -3.09 -0.03 0.00 0.71 0.00 0.00 54.79 52.36 2rk0 n ASP 118 Cb 0.17 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.69 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 -0.49 -4.21 -4.72 -2.24 4.05 -0.45 -1.68 115.26 105.52 2rk0 n ASN 119 Ca 0.24 0.08 -0.42 0.00 0.45 0.00 0.00 54.58 54.93 2rk0 n ASN 119 Cb 0.94 -2.01 -0.03 0.00 1.23 0.00 0.00 39.78 39.91 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 -1.86 2.78 -0.17 -1.44 1.01 -1.26 -4.68 121.20 115.59 2rk0 s ILE 120 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.91 2rk0 s ILE 120 Cb 0.00 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 2rk0 s ILE 120 CO 0.00 0.04 1.33 0.00 0.00 0.00 0.00 174.94 176.31 2rk0 s ALA 121 N 1.21 3.62 0.17 9.38 0.00 -1.26 -2.20 121.76 132.68 2rk0 s ALA 121 Ca 0.69 0.49 0.07 0.00 0.00 0.00 0.00 51.96 53.21 2rk0 s ALA 121 Cb -0.42 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 2rk0 s ALA 121 CO 0.31 -1.29 -0.14 -0.51 0.00 0.00 0.00 175.76 174.13 2rk0 s LEU 122 N 3.72 2.51 0.03 0.00 1.43 0.02 -1.97 118.68 124.42 2rk0 s LEU 122 Ca 0.58 -0.96 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2rk0 s LEU 122 Cb -0.23 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.41 2rk0 s LEU 122 CO 0.18 -0.19 0.18 -1.61 0.23 0.00 0.00 176.35 175.13 2rk0 s GLU 123 N -3.41 0.64 0.30 1.70 2.02 -0.22 -0.89 118.70 118.84 2rk0 s GLU 123 Ca 0.18 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.63 2rk0 s GLU 123 Cb -0.01 0.26 -0.06 0.00 0.10 0.00 0.00 34.13 34.42 2rk0 s GLU 123 CO 0.04 -0.17 0.03 0.00 0.02 0.00 0.00 175.26 175.18 2rk0 s ALA 124 N -2.27 2.29 -0.29 5.21 0.00 -0.31 0.20 121.76 126.60 2rk0 s ALA 124 Ca -0.07 -1.99 0.03 0.00 0.00 0.00 0.00 51.96 49.93 2rk0 s ALA 124 Cb -0.03 0.54 0.19 0.00 0.00 0.00 0.00 23.12 23.82 2rk0 s ALA 124 CO -0.02 -0.25 0.55 -1.17 0.00 0.00 0.00 175.76 174.86 2rk0 s LEU 126 N -3.46 -1.39 0.62 0.00 2.96 -0.16 -0.91 118.68 116.34 2rk0 s LEU 126 Ca 0.34 0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 54.36 2rk0 s LEU 126 Cb 0.07 1.86 -0.03 0.00 0.50 0.00 0.00 46.19 48.59 2rk0 s LEU 126 CO 0.14 -0.30 1.03 -0.83 -1.32 0.00 0.00 176.35 175.07 2rk0 s GLY 127 N 2.77 1.79 0.00 7.98 0.00 -1.26 -1.46 107.32 117.14 2rk0 s GLY 127 Ca 0.12 0.06 0.30 0.00 0.00 0.00 0.00 44.72 45.20 2rk0 s GLY 127 CO -0.25 0.34 2.02 0.54 0.00 0.00 0.00 173.10 175.75