#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkg s GLN 2 N 0.00 3.41 -0.17 0.54 0.74 -1.26 -5.11 119.66 117.81 2rkg s GLN 2 Ca 0.00 -0.49 0.01 0.00 0.05 0.00 0.00 55.36 54.93 2rkg s GLN 2 Cb 0.00 -2.85 0.02 0.00 1.10 0.00 0.00 33.01 31.27 2rkg s GLN 2 CO 0.00 0.40 -0.20 0.42 -0.55 0.00 0.00 175.29 175.36 2rkg s ILE 3 N -0.07 2.01 0.78 -2.34 1.01 -1.26 -5.14 121.20 116.19 2rkg s ILE 3 Ca 0.02 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 2rkg s ILE 3 Cb -0.13 -1.81 0.10 0.00 0.01 0.00 0.00 42.46 40.63 2rkg s ILE 3 CO 0.02 0.53 1.11 0.42 0.00 0.00 0.00 174.94 177.03 2rkg s THR 4 N 1.18 2.14 -0.18 2.92 -4.23 -1.26 -5.02 115.64 111.19 2rkg s THR 4 Ca 0.02 -0.19 0.15 0.00 -1.18 0.00 0.00 61.69 60.48 2rkg s THR 4 Cb -0.14 -2.95 0.38 0.00 1.34 0.00 0.00 72.50 71.13 2rkg s THR 4 CO -0.10 0.00 1.22 0.18 -0.54 0.00 0.00 174.62 175.38 2rkg n LEU 5 N -3.17 2.72 0.26 4.79 4.77 -1.26 -4.57 117.00 120.53 2rkg n LEU 5 Ca 0.10 -3.50 0.13 0.00 -0.03 0.00 0.00 56.01 52.72 2rkg n LEU 5 Cb 0.60 -0.50 0.68 0.00 -2.33 0.00 0.00 43.42 41.88 2rkg n LEU 5 CO 0.51 1.06 0.94 -0.50 -1.33 0.00 0.00 177.39 178.06 2rkg h TRP 6 N 0.61 0.00 -2.64 -1.77 4.06 -2.07 -3.43 115.95 110.70 2rkg h TRP 6 Ca 0.02 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.47 2rkg h TRP 6 Cb 1.07 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.09 2rkg h TRP 6 CO 0.44 0.13 -0.72 -0.65 -3.56 0.00 0.00 178.44 174.08 2rkg s GLN 7 N -3.98 1.48 0.26 0.49 -0.21 -1.26 -5.11 119.66 111.33 2rkg s GLN 7 Ca -0.02 -1.70 -0.31 0.00 0.02 0.00 0.00 55.36 53.36 2rkg s GLN 7 Cb 0.12 -1.27 -0.12 0.00 1.00 0.00 0.00 33.01 32.74 2rkg s GLN 7 CO 0.58 0.16 1.66 1.03 -2.12 0.00 0.00 175.29 176.61 2rkg s ARG 8 N -3.65 4.12 -1.40 2.91 0.52 -1.26 -4.86 118.95 115.32 2rkg s ARG 8 Ca 0.26 2.60 -0.15 0.00 -0.52 0.00 0.00 55.73 57.93 2rkg s ARG 8 Cb 0.00 -3.04 0.04 0.00 0.52 0.00 0.00 34.95 32.47 2rkg s ARG 8 CO 0.10 -0.70 2.11 -0.35 0.02 0.00 0.00 175.30 176.48 2rkg n PRO 9 N 3.01 2.89 -2.98 3.54 -0.04 -1.26 -4.96 135.00 135.19 2rkg n PRO 9 Ca 0.12 -2.73 -0.38 0.00 -0.04 0.00 0.00 63.50 60.46 2rkg n PRO 9 Cb 0.36 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 2rkg n PRO 9 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2rkg s PHE 10 N 3.54 3.80 0.13 0.54 0.08 -1.26 -0.75 117.98 124.06 2rkg s PHE 10 Ca 0.49 1.59 0.03 0.00 0.12 0.00 0.00 56.93 59.16 2rkg s PHE 10 Cb 0.12 -2.75 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 2rkg s PHE 10 CO -0.04 0.42 -0.07 0.14 -0.10 0.00 0.00 175.22 175.56 2rkg s VAL 11 N -1.33 0.92 -0.01 -0.44 -7.23 -0.52 -4.94 120.40 106.85 2rkg s VAL 11 Ca 0.40 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.38 2rkg s VAL 11 Cb -0.21 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 2rkg s VAL 11 CO 0.25 -0.76 0.53 -0.89 -0.31 0.00 0.00 175.10 173.92 2rkg s THR 12 N -3.48 4.95 0.09 5.32 2.01 -1.26 -1.06 115.64 122.19 2rkg s THR 12 Ca 0.16 1.11 0.05 0.00 0.31 0.00 0.00 61.69 63.31 2rkg s THR 12 Cb 0.04 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2rkg s THR 12 CO -0.01 0.46 -0.13 0.68 -0.69 0.00 0.00 174.62 174.93 2rkg s VAL 13 N -0.41 1.09 -0.12 3.82 -7.23 0.06 -2.56 120.40 115.05 2rkg s VAL 13 Ca 0.28 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2rkg s VAL 13 Cb -0.18 -1.21 0.02 0.00 0.56 0.00 0.00 36.38 35.57 2rkg s VAL 13 CO 0.16 -0.35 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.69 2rkg s LYS 14 N -2.17 2.32 -0.04 4.82 2.20 -0.38 -1.59 119.74 124.89 2rkg s LYS 14 Ca 0.02 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 2rkg s LYS 14 Cb -0.07 -2.00 0.03 0.00 -1.51 0.00 0.00 37.83 34.28 2rkg s LYS 14 CO 0.02 -0.11 0.05 0.42 -0.36 0.00 0.00 175.35 175.37 2rkg s ILE 15 N 1.11 -0.06 -1.32 5.43 1.01 -0.23 -1.26 121.20 125.88 2rkg s ILE 15 Ca -0.03 0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 2rkg s ILE 15 Cb -0.14 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.16 2rkg s ILE 15 CO -0.04 0.17 0.76 0.00 0.00 0.00 0.00 174.94 175.83 2rkg n ALA 16 N 5.06 -1.93 -0.70 9.38 0.00 -1.26 -1.14 120.51 129.92 2rkg n ALA 16 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2rkg n ALA 16 Cb 0.50 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2rkg n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkg n GLY 17 N -1.56 0.62 3.72 0.00 0.00 -1.26 -4.99 105.19 101.71 2rkg n GLY 17 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2rkg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rkg s GLN 18 N -0.43 3.00 -0.03 1.61 -0.21 -0.29 -5.11 119.66 118.20 2rkg s GLN 18 Ca 0.00 -0.43 -0.03 0.00 0.02 0.00 0.00 55.36 54.92 2rkg s GLN 18 Cb 0.00 -2.82 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 2rkg s GLN 18 CO 0.00 0.69 0.13 -0.51 -2.12 0.00 0.00 175.29 173.48 2rkg s LEU 19 N -1.16 4.18 0.24 2.90 1.43 -1.26 -1.07 118.68 123.93 2rkg s LEU 19 Ca 0.16 0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 53.33 2rkg s LEU 19 Cb -0.12 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.76 2rkg s LEU 19 CO 0.06 0.29 0.74 0.00 0.23 0.00 0.00 176.35 177.67 2rkg s MET 20 N -1.68 1.62 0.03 1.70 0.23 -0.62 -5.02 119.30 115.56 2rkg s MET 20 Ca 0.23 -0.86 0.02 0.00 -1.03 0.00 0.00 55.69 54.06 2rkg s MET 20 Cb -0.12 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 33.72 2rkg s MET 20 CO 0.14 -0.74 0.01 -1.21 -2.03 0.00 0.00 175.02 171.19 2rkg s GLU 21 N -3.80 2.75 0.01 3.16 2.02 -1.26 -0.76 118.70 120.82 2rkg s GLU 21 Ca 0.10 -0.67 -0.03 0.00 0.02 0.00 0.00 54.97 54.39 2rkg s GLU 21 Cb -0.05 -2.65 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2rkg s GLU 21 CO 0.03 0.60 0.03 0.00 0.02 0.00 0.00 175.26 175.94 2rkg s ALA 22 N -1.18 -0.05 -0.09 5.21 0.00 -0.23 -4.52 121.76 120.90 2rkg s ALA 22 Ca 0.22 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.52 2rkg s ALA 22 Cb -0.12 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2rkg s ALA 22 CO 0.14 -0.17 0.86 -1.17 0.00 0.00 0.00 175.76 175.41 2rkg s LEU 23 N -1.39 4.27 -0.36 0.00 2.96 0.25 -1.44 118.68 122.97 2rkg s LEU 23 Ca -0.15 1.35 -0.29 0.00 -0.22 0.00 0.00 54.13 54.82 2rkg s LEU 23 Cb -0.09 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.28 2rkg s LEU 23 CO -0.00 -0.29 1.45 -0.76 -1.32 0.00 0.00 176.35 175.43 2rkg s LEU 24 N 1.47 3.66 -0.30 -0.68 1.43 0.07 -0.10 118.68 124.23 2rkg s LEU 24 Ca 0.43 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 2rkg s LEU 24 Cb -0.18 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.59 2rkg s LEU 24 CO 0.19 -1.38 0.06 -0.62 0.23 0.00 0.00 176.35 174.83 2rkg s ASP 25 N 3.97 4.17 0.41 2.29 -1.08 -0.53 -4.79 116.67 121.11 2rkg s ASP 25 Ca 0.63 -1.68 0.29 0.00 -0.52 0.00 0.00 52.55 51.27 2rkg s ASP 25 Cb -0.16 -1.11 1.17 0.00 -1.46 0.00 0.00 42.92 41.36 2rkg s ASP 25 CO 0.31 -0.37 1.85 0.71 0.52 0.00 0.00 175.17 178.19 2rkg h THR 26 N 6.55 0.00 -0.04 1.71 1.35 -1.94 -2.37 112.91 118.17 2rkg h THR 26 Ca -0.12 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2rkg h THR 26 Cb 1.03 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2rkg h THR 26 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 2rkg n GLY 27 N 0.06 -0.38 3.50 5.82 0.00 -1.26 -4.81 105.19 108.11 2rkg n GLY 27 Ca 0.01 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 2rkg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkg s ALA 28 N -1.95 3.06 0.21 4.61 0.00 -0.89 -4.99 121.76 121.80 2rkg s ALA 28 Ca 0.38 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2rkg s ALA 28 Cb 0.19 -1.67 0.16 0.00 0.00 0.00 0.00 23.12 21.79 2rkg s ALA 28 CO 0.31 0.08 1.50 -0.44 0.00 0.00 0.00 175.76 177.21 2rkg h ASP 29 N 6.98 0.39 -3.12 0.00 3.32 -1.87 0.11 116.42 122.22 2rkg h ASP 29 Ca -0.33 -0.24 -0.47 0.00 0.02 0.00 0.00 57.03 56.01 2rkg h ASP 29 Cb 1.18 -0.11 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2rkg h ASP 29 CO 0.63 0.93 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.59 2rkg s ASP 30 N -6.93 2.58 -0.16 6.45 1.01 -1.26 -2.40 116.67 115.96 2rkg s ASP 30 Ca -0.05 -1.18 -0.07 0.00 0.71 0.00 0.00 52.55 51.97 2rkg s ASP 30 Cb 0.11 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 2rkg s ASP 30 CO 0.82 -0.35 0.06 -0.89 0.21 0.00 0.00 175.17 175.01 2rkg s THR 31 N -3.08 4.78 -0.03 -1.27 2.01 -1.26 -3.23 115.64 113.55 2rkg s THR 31 Ca 0.28 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.26 2rkg s THR 31 Cb 0.04 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.43 2rkg s THR 31 CO 0.11 0.50 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.96 2rkg s ILE 32 N 0.07 0.64 0.16 1.82 2.07 -0.32 -0.92 121.20 124.72 2rkg s ILE 32 Ca 0.05 -0.25 0.08 0.00 -1.41 0.00 0.00 60.65 59.12 2rkg s ILE 32 Cb -0.12 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.82 2rkg s ILE 32 CO 0.01 0.22 -0.06 -0.76 -1.91 0.00 0.00 174.94 172.44 2rkg s LEU 33 N 0.48 3.12 0.90 8.50 1.43 0.32 -0.16 118.68 133.27 2rkg s LEU 33 Ca -0.07 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2rkg s LEU 33 Cb -0.11 -1.82 0.11 0.00 0.03 0.00 0.00 46.19 44.40 2rkg s LEU 33 CO 0.00 0.12 1.01 -0.62 0.23 0.00 0.00 176.35 177.09 2rkg n GLU 34 N 0.17 -0.27 -0.05 1.70 1.02 -1.26 -2.07 120.64 119.87 2rkg n GLU 34 Ca -0.11 -0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.14 2rkg n GLU 34 Cb 0.54 -2.28 0.53 0.00 -0.02 0.00 0.00 31.44 30.21 2rkg n GLU 34 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2rkg h GLU 35 N -1.58 0.33 -0.00 3.49 4.57 -1.62 -0.62 114.58 119.14 2rkg h GLU 35 Ca -0.44 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2rkg h GLU 35 Cb 1.28 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2rkg h GLU 35 CO 0.41 0.22 -0.01 0.39 -1.18 0.00 0.00 179.01 178.84 2rkg n GLU 36 N -4.46 0.98 -2.19 1.92 4.71 -1.26 -4.83 120.64 115.51 2rkg n GLU 36 Ca 0.09 -0.15 -0.42 0.00 -0.01 0.00 0.00 57.16 56.67 2rkg n GLU 36 Cb 0.38 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.29 2rkg n GLU 36 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 2rkg s MET 37 N -2.12 4.29 -0.37 3.49 1.75 -0.24 -4.99 119.30 121.11 2rkg s MET 37 Ca 0.42 2.03 -0.09 0.00 -1.25 0.00 0.00 55.69 56.80 2rkg s MET 37 Cb 0.21 -3.47 0.04 0.00 2.84 0.00 0.00 34.83 34.46 2rkg s MET 37 CO 0.39 -0.54 0.19 -1.54 -0.65 0.00 0.00 175.02 172.87 2rkg s SER 38 N 1.66 5.58 -0.09 1.11 1.04 -1.26 -5.03 113.70 116.71 2rkg s SER 38 Ca 0.65 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2rkg s SER 38 Cb -0.34 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 2rkg s SER 38 CO 0.28 -0.41 -0.07 -0.76 0.98 0.00 0.00 173.24 173.26 2rkg s LEU 39 N 1.47 3.13 0.60 2.42 1.43 -1.26 -4.99 118.68 121.48 2rkg s LEU 39 Ca 0.01 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 2rkg s LEU 39 Cb -0.20 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2rkg s LEU 39 CO 0.04 0.31 0.98 -2.16 0.23 0.00 0.00 176.35 175.76 2rkg s PRO 40 N -0.49 3.49 0.54 1.29 0.04 -1.26 -4.98 135.00 133.63 2rkg s PRO 40 Ca 0.07 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2rkg s PRO 40 Cb -0.12 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2rkg s PRO 40 CO 0.02 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2rkg n GLY 41 N -2.67 -2.12 3.81 0.56 0.00 -1.26 -4.97 105.19 98.54 2rkg n GLY 41 Ca 0.05 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 2rkg n GLY 41 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rkg s ARG 42 N -0.16 3.28 0.20 1.61 1.70 -1.26 -5.07 118.95 119.24 2rkg s ARG 42 Ca 0.00 1.09 -0.08 0.00 -0.47 0.00 0.00 55.73 56.27 2rkg s ARG 42 Cb 0.00 -2.03 -0.02 0.00 -0.57 0.00 0.00 34.95 32.33 2rkg s ARG 42 CO 0.00 -0.83 0.30 1.67 -1.08 0.00 0.00 175.30 175.35 2rkg s TRP 43 N -2.68 0.60 -0.02 5.89 1.48 -1.26 -4.76 118.94 118.19 2rkg s TRP 43 Ca 0.61 -0.93 0.06 0.00 -1.06 0.00 0.00 56.10 54.78 2rkg s TRP 43 Cb -0.15 -0.12 -0.01 0.00 -1.16 0.00 0.00 33.47 32.03 2rkg s TRP 43 CO 0.42 -0.78 -0.19 0.95 -4.06 0.00 0.00 176.95 173.30 2rkg s THR 44 N -4.04 1.48 0.32 0.66 -4.23 -0.34 -4.88 115.64 104.62 2rkg s THR 44 Ca 0.25 -0.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.67 2rkg s THR 44 Cb 0.03 -1.24 -0.10 0.00 1.34 0.00 0.00 72.50 72.53 2rkg s THR 44 CO 0.06 0.42 1.32 -2.16 -0.54 0.00 0.00 174.62 173.72 2rkg s PRO 45 N -0.39 4.35 0.06 3.99 0.04 -1.26 -0.48 135.00 141.31 2rkg s PRO 45 Ca 0.06 2.22 -0.06 0.00 0.04 0.00 0.00 61.00 63.26 2rkg s PRO 45 Cb -0.08 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 2rkg s PRO 45 CO -0.00 -0.21 0.11 0.21 0.04 0.00 0.00 177.00 177.15 2rkg s LYS 46 N -1.64 0.70 -0.06 4.56 2.20 -0.86 -4.86 119.74 119.78 2rkg s LYS 46 Ca 0.50 -0.94 0.05 0.00 -0.36 0.00 0.00 55.97 55.22 2rkg s LYS 46 Cb -0.40 0.27 -0.00 0.00 -1.51 0.00 0.00 37.83 36.19 2rkg s LYS 46 CO 0.52 -0.19 -0.21 0.08 -0.36 0.00 0.00 175.35 175.19 2rkg s VAL 47 N -3.42 1.76 -0.08 4.02 1.01 -1.26 -0.45 120.40 121.98 2rkg s VAL 47 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2rkg s VAL 47 Cb 0.03 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2rkg s VAL 47 CO -0.08 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.71 2rkg s VAL 48 N 0.11 3.32 -0.19 2.92 1.01 -0.08 -4.94 120.40 122.55 2rkg s VAL 48 Ca -0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2rkg s VAL 48 Cb -0.14 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 2rkg s VAL 48 CO 0.04 0.57 -0.10 -0.83 0.00 0.00 0.00 175.10 174.79 2rkg s GLY 49 N -0.44 1.55 0.00 4.51 0.00 -1.26 -0.24 107.32 111.44 2rkg s GLY 49 Ca 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2rkg s GLY 49 CO 0.02 0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.97 2rkg n GLY 50 N 4.44 5.44 3.71 0.20 0.00 0.11 -4.98 105.19 114.11 2rkg n GLY 50 Ca -0.19 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 2rkg n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkg s ILE 51 N 1.76 4.60 0.00 -0.61 1.01 -1.26 -3.38 121.20 123.32 2rkg s ILE 51 Ca 0.00 1.87 0.00 0.00 0.00 0.00 0.00 60.65 62.52 2rkg s ILE 51 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2rkg s ILE 51 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2rkg n GLY 52 N 3.02 2.52 0.00 6.18 0.00 -1.26 -4.98 105.19 110.67 2rkg n GLY 52 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2rkg n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkg n GLY 53 N 0.00 0.20 3.38 -0.02 0.00 -1.22 -5.13 105.19 102.40 2rkg n GLY 53 Ca 0.00 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 2rkg n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rkg s PHE 54 N -4.00 1.93 -0.01 1.61 0.08 -1.26 -0.71 117.98 115.62 2rkg s PHE 54 Ca 0.00 -0.47 -0.04 0.00 0.12 0.00 0.00 56.93 56.54 2rkg s PHE 54 Cb 0.00 -0.90 -0.00 0.00 -0.57 0.00 0.00 43.02 41.55 2rkg s PHE 54 CO 0.00 0.46 0.09 0.00 -0.10 0.00 0.00 175.22 175.67 2rkg s MET 55 N -3.33 0.30 0.19 0.44 0.23 0.66 -4.98 119.30 112.82 2rkg s MET 55 Ca 0.23 -0.23 -0.30 0.00 -1.03 0.00 0.00 55.69 54.35 2rkg s MET 55 Cb -0.04 0.13 -0.08 0.00 -1.53 0.00 0.00 34.83 33.31 2rkg s MET 55 CO 0.09 -0.06 1.03 0.15 -2.03 0.00 0.00 175.02 174.20 2rkg s LYS 56 N -0.84 4.68 0.24 3.16 1.02 -1.26 -0.91 119.74 125.83 2rkg s LYS 56 Ca -0.09 1.61 0.01 0.00 0.02 0.00 0.00 55.97 57.52 2rkg s LYS 56 Cb -0.05 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 2rkg s LYS 56 CO 0.00 0.22 0.10 0.14 -0.92 0.00 0.00 175.35 174.90 2rkg s VAL 57 N -0.49 0.38 -0.18 3.17 -7.23 0.40 -4.54 120.40 111.91 2rkg s VAL 57 Ca 0.46 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2rkg s VAL 57 Cb -0.27 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 2rkg s VAL 57 CO 0.34 -0.02 0.00 -0.13 -0.31 0.00 0.00 175.10 174.98 2rkg s ARG 58 N -4.07 3.73 -0.27 4.82 0.52 0.09 -2.03 118.95 121.74 2rkg s ARG 58 Ca 0.38 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 55.01 2rkg s ARG 58 Cb 0.08 -3.04 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 2rkg s ARG 58 CO 0.13 0.18 0.17 -1.14 0.02 0.00 0.00 175.30 174.66 2rkg s GLN 59 N 0.55 3.93 -0.17 3.54 0.74 0.37 -1.03 119.66 127.59 2rkg s GLN 59 Ca -0.01 -0.33 -0.04 0.00 0.05 0.00 0.00 55.36 55.03 2rkg s GLN 59 Cb -0.14 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 2rkg s GLN 59 CO 0.02 -0.16 -0.03 0.71 -0.55 0.00 0.00 175.29 175.29 2rkg s TYR 60 N 1.68 3.03 0.33 1.67 2.02 -0.10 -1.19 117.35 124.79 2rkg s TYR 60 Ca 0.07 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 2rkg s TYR 60 Cb -0.16 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 2rkg s TYR 60 CO 0.10 -0.12 0.56 -0.51 -1.57 0.00 0.00 175.55 174.00 2rkg s ASP 61 N 0.61 6.34 -1.39 2.29 1.01 -1.26 -0.71 116.67 123.55 2rkg s ASP 61 Ca -0.02 0.55 -0.02 0.00 0.71 0.00 0.00 52.55 53.78 2rkg s ASP 61 Cb -0.14 -2.08 0.01 0.00 1.01 0.00 0.00 42.92 41.72 2rkg s ASP 61 CO 0.02 -0.27 0.56 0.00 0.21 0.00 0.00 175.17 175.69 2rkg n GLN 62 N -1.53 -3.96 -3.40 8.23 6.02 -1.20 -4.91 117.38 116.63 2rkg n GLN 62 Ca -0.04 0.49 -0.37 0.00 -0.01 0.00 0.00 57.00 57.07 2rkg n GLN 62 Cb 0.55 -4.83 -0.06 0.00 1.02 0.00 0.00 30.24 26.92 2rkg n GLN 62 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2rkg s ILE 63 N -3.80 5.21 -0.06 5.09 -1.09 -0.20 -4.81 121.20 121.54 2rkg s ILE 63 Ca 0.07 0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 59.01 2rkg s ILE 63 Cb -0.04 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 2rkg s ILE 63 CO 0.86 0.37 1.10 -0.22 -1.23 0.00 0.00 174.94 175.82 2rkg s LEU 64 N 0.43 4.28 -0.08 2.97 2.96 -1.26 -1.68 118.68 126.30 2rkg s LEU 64 Ca 0.23 1.70 0.03 0.00 -0.22 0.00 0.00 54.13 55.86 2rkg s LEU 64 Cb -0.15 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 42.99 2rkg s LEU 64 CO 0.09 -0.49 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.77 2rkg s VAL 65 N 1.96 1.48 -0.35 1.68 1.01 0.08 -4.35 120.40 121.91 2rkg s VAL 65 Ca 0.53 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 2rkg s VAL 65 Cb -0.22 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2rkg s VAL 65 CO 0.21 0.43 0.18 -0.70 0.00 0.00 0.00 175.10 175.23 2rkg s GLU 66 N 0.58 2.93 -0.26 2.72 2.12 -0.39 -0.97 118.70 125.44 2rkg s GLU 66 Ca -0.15 -1.00 -0.01 0.00 0.36 0.00 0.00 54.97 54.17 2rkg s GLU 66 Cb -0.16 -3.66 0.04 0.00 0.26 0.00 0.00 34.13 30.60 2rkg s GLU 66 CO 0.05 -0.62 -0.07 0.42 -0.54 0.00 0.00 175.26 174.50 2rkg s ILE 67 N 1.55 2.69 -1.51 -3.70 1.01 0.97 -1.25 121.20 120.96 2rkg s ILE 67 Ca 0.02 -1.22 -0.05 0.00 0.00 0.00 0.00 60.65 59.41 2rkg s ILE 67 Cb -0.19 -2.43 0.04 0.00 0.01 0.00 0.00 42.46 39.89 2rkg s ILE 67 CO 0.06 0.11 0.42 0.00 0.00 0.00 0.00 174.94 175.54 2rkg n GLY 69 N -1.95 2.38 3.76 0.00 0.00 -1.26 -4.99 105.19 103.12 2rkg n GLY 69 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2rkg n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2rkg s HIS 70 N -0.17 2.97 -0.22 1.61 5.65 -0.66 -4.96 115.29 119.51 2rkg s HIS 70 Ca 0.00 1.14 -0.10 0.00 0.25 0.00 0.00 55.06 56.35 2rkg s HIS 70 Cb 0.00 -3.81 -0.05 0.00 -1.18 0.00 0.00 32.58 27.54 2rkg s HIS 70 CO 0.00 -2.51 0.13 0.15 -0.65 0.00 0.00 174.74 171.86 2rkg s LYS 71 N -0.96 4.06 0.14 2.88 1.02 -1.26 -0.02 119.74 125.59 2rkg s LYS 71 Ca 0.56 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.28 2rkg s LYS 71 Cb -0.42 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 2rkg s LYS 71 CO 0.48 0.14 -0.03 0.14 -0.92 0.00 0.00 175.35 175.17 2rkg s VAL 72 N 0.80 0.67 -0.04 3.17 -7.23 -0.14 -5.01 120.40 112.62 2rkg s VAL 72 Ca 0.07 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2rkg s VAL 72 Cb -0.13 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.90 2rkg s VAL 72 CO 0.02 -0.65 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.45 2rkg s ILE 73 N -3.65 0.76 0.05 -0.62 1.01 -1.26 -0.74 121.20 116.75 2rkg s ILE 73 Ca 0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 2rkg s ILE 73 Cb 0.06 -0.71 0.03 0.00 0.01 0.00 0.00 42.46 41.85 2rkg s ILE 73 CO 0.00 0.26 0.38 0.61 0.00 0.00 0.00 174.94 176.19 2rkg n GLY 74 N 3.64 0.97 3.74 6.18 0.00 -0.67 -4.90 105.19 114.14 2rkg n GLY 74 Ca -0.22 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 2rkg n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rkg s THR 75 N -2.35 4.06 -0.07 2.61 2.01 -1.26 -1.03 115.64 119.61 2rkg s THR 75 Ca 0.09 1.80 0.03 0.00 0.31 0.00 0.00 61.69 63.92 2rkg s THR 75 Cb -0.01 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.36 2rkg s THR 75 CO 0.02 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 2rkg s VAL 76 N -0.34 1.33 0.08 3.82 1.01 0.11 -4.48 120.40 121.92 2rkg s VAL 76 Ca 0.47 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2rkg s VAL 76 Cb -0.27 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.86 2rkg s VAL 76 CO 0.33 0.40 0.39 -0.76 0.00 0.00 0.00 175.10 175.46 2rkg s LEU 77 N 0.58 4.34 -0.10 3.92 1.43 -0.10 -0.92 118.68 127.83 2rkg s LEU 77 Ca -0.15 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 2rkg s LEU 77 Cb -0.16 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.08 2rkg s LEU 77 CO 0.05 0.16 -0.12 -0.69 0.23 0.00 0.00 176.35 175.98 2rkg s VAL 78 N -1.42 1.25 0.05 -1.59 1.01 -0.20 -0.52 120.40 118.98 2rkg s VAL 78 Ca 0.33 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 2rkg s VAL 78 Cb -0.14 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2rkg s VAL 78 CO 0.18 0.39 0.26 0.61 0.00 0.00 0.00 175.10 176.55 2rkg n GLY 79 N 4.30 1.13 2.10 4.51 0.00 -0.88 -0.74 105.19 115.62 2rkg n GLY 79 Ca -0.18 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 2rkg n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rkg n PRO 80 N -0.18 2.13 -2.50 1.61 -0.04 -1.26 -1.81 135.00 132.94 2rkg n PRO 80 Ca -0.01 -1.13 -0.38 0.00 -0.04 0.00 0.00 63.50 61.95 2rkg n PRO 80 Cb 0.15 -2.10 -0.04 0.00 -0.04 0.00 0.00 33.50 31.47 2rkg n PRO 80 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2rkg s THR 81 N 1.40 3.59 0.30 0.52 -1.32 -1.26 -4.96 115.64 113.91 2rkg s THR 81 Ca 0.62 1.33 0.26 0.00 -1.21 0.00 0.00 61.69 62.70 2rkg s THR 81 Cb 0.27 -3.75 0.27 0.00 -1.51 0.00 0.00 72.50 67.79 2rkg s THR 81 CO -0.01 0.12 1.98 -0.65 -2.21 0.00 0.00 174.62 173.84 2rkg h PRO 82 N 2.88 0.00 -3.52 7.08 0.11 -1.99 -3.43 132.00 133.14 2rkg h PRO 82 Ca -0.48 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 2rkg h PRO 82 Cb 1.22 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.12 2rkg h PRO 82 CO 0.64 0.16 -0.50 0.00 -0.21 0.00 0.00 178.00 178.09 2rkg s ALA 83 N -3.96 -0.32 0.18 -0.75 0.00 -1.26 -5.08 121.76 110.58 2rkg s ALA 83 Ca -0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 2rkg s ALA 83 Cb 0.12 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.24 2rkg s ALA 83 CO 0.60 -0.20 1.45 -0.80 0.00 0.00 0.00 175.76 176.81 2rkg s ASN 84 N -1.31 6.71 -0.07 0.00 0.01 -1.26 -4.71 114.94 114.32 2rkg s ASN 84 Ca -0.14 2.52 0.02 0.00 -0.71 0.00 0.00 52.86 54.55 2rkg s ASN 84 Cb -0.07 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.00 2rkg s ASN 84 CO 0.01 -0.70 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.17 2rkg s ILE 85 N 0.65 1.07 -0.38 0.60 1.01 0.78 -0.59 121.20 124.35 2rkg s ILE 85 Ca 0.64 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 2rkg s ILE 85 Cb -0.40 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.07 2rkg s ILE 85 CO 0.35 0.35 0.31 -0.63 0.00 0.00 0.00 174.94 175.32 2rkg s ILE 86 N 0.86 5.23 0.61 2.92 -1.09 0.86 -1.17 121.20 129.41 2rkg s ILE 86 Ca -0.11 -0.39 0.05 0.00 -2.23 0.00 0.00 60.65 57.97 2rkg s ILE 86 Cb -0.15 -3.87 0.11 0.00 -1.58 0.00 0.00 42.46 36.97 2rkg s ILE 86 CO 0.01 -0.21 0.84 0.61 -1.23 0.00 0.00 174.94 174.96 2rkg n GLY 87 N 5.11 1.38 0.27 6.18 0.00 -1.20 -1.45 105.19 115.49 2rkg n GLY 87 Ca -0.11 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 43.89 2rkg n GLY 87 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rkg h ARG 88 N 0.00 0.00 -0.55 1.61 3.08 -0.80 -1.20 114.38 116.53 2rkg h ARG 88 Ca -0.28 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.89 2rkg h ARG 88 Cb 1.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2rkg h ARG 88 CO 0.35 0.05 0.38 -2.95 -1.07 0.00 0.00 179.97 176.73 2rkg h ASN 89 N 0.00 0.18 0.00 7.04 -1.07 -1.73 -2.14 115.58 117.85 2rkg h ASN 89 Ca -0.00 0.01 -0.35 0.00 0.07 0.00 0.00 56.30 56.02 2rkg h ASN 89 Cb 0.11 -0.03 -0.07 0.00 -2.07 0.00 0.00 38.32 36.26 2rkg h ASN 89 CO 0.01 0.10 -2.33 0.18 0.07 0.00 0.00 177.43 175.46 2rkg n LEU 90 N -4.44 0.17 -0.07 6.14 4.77 -0.71 -4.46 117.00 118.40 2rkg n LEU 90 Ca 0.10 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.09 2rkg n LEU 90 Cb 0.48 0.40 0.35 0.00 -2.33 0.00 0.00 43.42 42.32 2rkg n LEU 90 CO 0.35 0.50 1.16 -0.07 -1.33 0.00 0.00 177.39 178.00 2rkg h LEU 91 N 0.00 0.61 -1.47 2.23 3.38 -0.97 -0.89 115.31 118.20 2rkg h LEU 91 Ca -0.53 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.36 2rkg h LEU 91 Cb 2.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 2rkg h LEU 91 CO 0.02 0.47 -0.23 0.71 0.09 0.00 0.00 178.44 179.49 2rkg h THR 92 N 0.71 1.18 0.00 0.22 1.35 -1.62 -2.03 112.91 112.72 2rkg h THR 92 Ca 0.19 -0.86 -0.09 0.00 -0.55 0.00 0.00 66.41 65.10 2rkg h THR 92 Cb -0.03 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 2rkg h THR 92 CO -0.04 0.25 -0.41 1.56 -0.25 0.00 0.00 175.52 176.63 2rkg h GLN 93 N 0.04 0.00 -0.58 4.72 1.08 -1.38 -2.82 115.11 116.17 2rkg h GLN 93 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2rkg h GLN 93 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2rkg h GLN 93 CO 0.03 0.41 0.00 0.44 -0.95 0.00 0.00 178.83 178.76 2rkg n ILE 94 N -3.44 0.96 -2.51 2.54 -5.35 -1.04 -4.94 119.36 105.58 2rkg n ILE 94 Ca 0.00 -0.79 -0.16 0.00 -0.27 0.00 0.00 62.75 61.54 2rkg n ILE 94 Cb 0.57 0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.73 2rkg n ILE 94 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rkg n GLY 95 N 1.22 -0.23 3.70 3.28 0.00 -1.07 -4.97 105.19 107.13 2rkg n GLY 95 Ca 0.19 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2rkg n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkg s THR 97 N 1.55 1.65 -0.07 0.00 -4.23 -1.26 -4.76 115.64 108.52 2rkg s THR 97 Ca 0.57 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 2rkg s THR 97 Cb -0.26 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 2rkg s THR 97 CO 0.26 -0.37 0.29 -0.76 -0.54 0.00 0.00 174.62 173.49 2rkg s LEU 98 N -2.65 4.41 -0.01 4.79 1.43 -1.26 -5.09 118.68 120.30 2rkg s LEU 98 Ca 0.14 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 2rkg s LEU 98 Cb -0.05 -2.35 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 2rkg s LEU 98 CO 0.05 0.33 -0.07 0.20 0.23 0.00 0.00 176.35 177.09 2rkg s ASN 99 N -0.85 0.87 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.83 2rkg s ASN 99 Ca 0.19 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.35 2rkg s ASN 99 Cb -0.14 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 2rkg s ASN 99 CO 0.08 0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.90