#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 3.49 -0.14 0.54 0.74 -1.26 -5.11 119.66 117.92 2rkg s GLN 2 Ca 0.00 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.92 2rkg s GLN 2 Cb 0.00 -2.86 0.01 0.00 1.10 0.00 0.00 33.01 31.26 2rkg s GLN 2 CO 0.00 0.35 -0.20 -1.50 -0.55 0.00 0.00 175.29 173.39 2rkg s ILE 3 N 0.08 1.92 0.81 -2.34 2.07 -1.26 -5.14 121.20 117.34 2rkg s ILE 3 Ca -0.00 -0.89 -0.11 0.00 -1.41 0.00 0.00 60.65 58.24 2rkg s ILE 3 Cb -0.13 -1.72 0.11 0.00 0.13 0.00 0.00 42.46 40.85 2rkg s ILE 3 CO 0.03 0.52 1.16 0.42 -1.91 0.00 0.00 174.94 175.16 2rkg s THR 4 N 0.96 2.08 -0.17 4.00 -4.23 -1.26 -5.02 115.64 112.01 2rkg s THR 4 Ca -0.04 -0.10 0.16 0.00 -1.18 0.00 0.00 61.69 60.52 2rkg s THR 4 Cb -0.15 -2.98 0.36 0.00 1.34 0.00 0.00 72.50 71.08 2rkg s THR 4 CO -0.04 0.00 1.22 0.18 -0.54 0.00 0.00 174.62 175.44 2rkg n LEU 5 N -3.30 2.73 0.27 4.79 4.77 -1.26 -4.56 117.00 120.43 2rkg n LEU 5 Ca 0.10 -3.34 0.13 0.00 -0.03 0.00 0.00 56.01 52.87 2rkg n LEU 5 Cb 0.60 -0.48 0.74 0.00 -2.33 0.00 0.00 43.42 41.95 2rkg n LEU 5 CO 0.52 0.93 0.98 -0.50 -1.33 0.00 0.00 177.39 177.99 2rkg h TRP 6 N 0.52 0.00 -2.64 -1.77 4.06 -2.07 -3.43 115.95 110.62 2rkg h TRP 6 Ca 0.01 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.47 2rkg h TRP 6 Cb 1.09 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.11 2rkg h TRP 6 CO 0.32 0.11 -0.71 -0.65 -3.56 0.00 0.00 178.44 173.95 2rkg s GLN 7 N -4.17 1.50 0.25 0.49 -0.21 -1.26 -5.11 119.66 111.14 2rkg s GLN 7 Ca -0.03 -1.72 -0.31 0.00 0.02 0.00 0.00 55.36 53.33 2rkg s GLN 7 Cb 0.13 -1.25 -0.12 0.00 1.00 0.00 0.00 33.01 32.77 2rkg s GLN 7 CO 0.58 0.14 1.66 0.54 -2.12 0.00 0.00 175.29 176.09 2rkg n ARG 8 N -0.52 2.74 -1.97 2.91 1.74 -1.26 -4.87 116.66 115.42 2rkg n ARG 8 Ca -0.06 0.98 -0.42 0.00 -0.77 0.00 0.00 57.85 57.57 2rkg n ARG 8 Cb 0.62 -2.80 -0.00 0.00 -1.02 0.00 0.00 32.46 29.26 2rkg n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2rkg n PRO 9 N 3.06 2.91 -3.03 5.56 -0.04 -1.26 -4.96 135.00 137.24 2rkg n PRO 9 Ca 0.12 -2.78 -0.38 0.00 -0.04 0.00 0.00 63.50 60.42 2rkg n PRO 9 Cb 0.36 -3.35 -0.06 0.00 -0.04 0.00 0.00 33.50 30.41 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 3.61 3.76 0.12 0.54 0.08 -1.26 -0.60 117.98 124.23 2rkg s PHE 10 Ca 0.49 1.52 0.03 0.00 0.12 0.00 0.00 56.93 59.09 2rkg s PHE 10 Cb 0.11 -2.70 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 2rkg s PHE 10 CO -0.03 0.41 -0.08 0.14 -0.10 0.00 0.00 175.22 175.56 2rkg s VAL 11 N -1.36 0.88 -0.01 -0.44 -7.23 -0.52 -4.94 120.40 106.78 2rkg s VAL 11 Ca 0.40 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.40 2rkg s VAL 11 Cb -0.20 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 2rkg s VAL 11 CO 0.23 -0.80 0.52 -0.89 -0.31 0.00 0.00 175.10 173.85 2rkg s THR 12 N -3.51 4.96 0.10 5.32 2.01 -1.26 -1.14 115.64 122.12 2rkg s THR 12 Ca 0.14 1.08 0.06 0.00 0.31 0.00 0.00 61.69 63.29 2rkg s THR 12 Cb 0.04 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2rkg s THR 12 CO -0.02 0.47 -0.16 0.54 -0.69 0.00 0.00 174.62 174.75 2rkg s VAL 13 N -0.43 1.38 -0.12 3.82 0.11 0.02 -2.44 120.40 122.72 2rkg s VAL 13 Ca 0.28 -1.50 0.02 0.00 -2.93 0.00 0.00 61.98 57.85 2rkg s VAL 13 Cb -0.17 -1.35 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 2rkg s VAL 13 CO 0.15 -0.22 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.79 2rkg s LYS 14 N -2.04 2.39 -0.04 1.54 2.20 -0.31 -1.59 119.74 121.88 2rkg s LYS 14 Ca 0.04 -0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 2rkg s LYS 14 Cb -0.09 -2.04 0.03 0.00 -1.51 0.00 0.00 37.83 34.22 2rkg s LYS 14 CO 0.03 -0.10 0.04 0.42 -0.36 0.00 0.00 175.35 175.39 2rkg s ILE 15 N 1.07 0.01 -1.29 5.43 1.01 -0.33 -1.18 121.20 125.93 2rkg s ILE 15 Ca -0.04 0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 2rkg s ILE 15 Cb -0.14 -0.23 -0.00 0.00 0.01 0.00 0.00 42.46 42.09 2rkg s ILE 15 CO -0.04 0.19 0.72 0.00 0.00 0.00 0.00 174.94 175.81 2rkg n ALA 16 N 5.11 -2.04 -0.75 9.38 0.00 -1.26 -1.32 120.51 129.62 2rkg n ALA 16 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2rkg n ALA 16 Cb 0.50 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 -1.54 0.39 3.69 0.00 0.00 -1.26 -4.99 105.19 101.47 2rkg n GLY 17 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.67 2.96 -0.04 1.61 -0.21 -0.44 -5.11 119.66 117.77 2rkg s GLN 18 Ca 0.00 -0.44 -0.03 0.00 0.02 0.00 0.00 55.36 54.91 2rkg s GLN 18 Cb 0.00 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 2rkg s GLN 18 CO 0.00 0.69 0.12 -0.51 -2.12 0.00 0.00 175.29 173.47 2rkg s LEU 19 N -1.01 4.15 0.25 2.90 1.43 -1.26 -1.18 118.68 123.95 2rkg s LEU 19 Ca 0.15 0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 2rkg s LEU 19 Cb -0.11 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.81 2rkg s LEU 19 CO 0.04 0.31 0.64 0.00 0.23 0.00 0.00 176.35 177.56 2rkg s MET 20 N -1.60 1.62 0.07 1.70 0.23 -0.62 -5.02 119.30 115.69 2rkg s MET 20 Ca 0.22 -0.94 0.03 0.00 -1.03 0.00 0.00 55.69 53.97 2rkg s MET 20 Cb -0.12 0.57 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 2rkg s MET 20 CO 0.13 -0.72 0.07 -1.21 -2.03 0.00 0.00 175.02 171.25 2rkg s GLU 21 N -3.90 2.88 -0.02 3.16 2.02 -1.26 -0.80 118.70 120.77 2rkg s GLU 21 Ca 0.11 -0.68 -0.07 0.00 0.02 0.00 0.00 54.97 54.35 2rkg s GLU 21 Cb -0.04 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.47 2rkg s GLU 21 CO 0.03 0.57 0.15 0.00 0.02 0.00 0.00 175.26 176.03 2rkg s ALA 22 N -1.35 -0.36 -0.10 5.21 0.00 -0.29 -4.53 121.76 120.34 2rkg s ALA 22 Ca 0.28 0.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 2rkg s ALA 22 Cb -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2rkg s ALA 22 CO 0.21 -0.17 0.93 -1.17 0.00 0.00 0.00 175.76 175.55 2rkg s LEU 23 N -0.98 4.26 -0.37 0.00 2.96 0.30 -1.43 118.68 123.41 2rkg s LEU 23 Ca -0.11 1.44 -0.29 0.00 -0.22 0.00 0.00 54.13 54.95 2rkg s LEU 23 Cb -0.06 -3.44 0.00 0.00 0.50 0.00 0.00 46.19 43.20 2rkg s LEU 23 CO 0.01 -0.37 1.46 -0.76 -1.32 0.00 0.00 176.35 175.37 2rkg s LEU 24 N 1.74 3.64 -0.31 -0.68 1.43 0.23 -0.37 118.68 124.37 2rkg s LEU 24 Ca 0.46 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 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 0.18 -1.40 0.06 -0.62 0.23 0.00 0.00 176.35 174.81 2rkg s ASP 25 N 4.03 4.23 0.38 2.29 2.15 -0.59 -4.79 116.67 124.38 2rkg s ASP 25 Ca 0.63 -1.75 0.28 0.00 0.43 0.00 0.00 52.55 52.15 2rkg s ASP 25 Cb -0.16 -1.15 1.16 0.00 -0.30 0.00 0.00 42.92 42.47 2rkg s ASP 25 CO 0.31 -0.38 1.83 0.71 -0.17 0.00 0.00 175.17 177.47 2rkg h THR 26 N 6.55 0.00 -0.07 1.71 1.35 -1.93 -2.50 112.91 118.01 2rkg h THR 26 Ca -0.11 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2rkg h THR 26 Cb 1.02 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2rkg h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2rkg n GLY 27 N -0.01 -0.25 3.39 5.82 0.00 -1.26 -4.81 105.19 108.07 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 -1.91 2.79 0.23 4.61 0.00 -0.94 -4.99 121.76 121.54 2rkg s ALA 28 Ca 0.34 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2rkg s ALA 28 Cb 0.17 -1.46 0.22 0.00 0.00 0.00 0.00 23.12 22.05 2rkg s ALA 28 CO 0.28 0.03 1.54 -0.44 0.00 0.00 0.00 175.76 177.17 2rkg h ASP 29 N 7.13 0.27 -3.43 0.00 3.32 -1.87 0.20 116.42 122.05 2rkg h ASP 29 Ca -0.32 -0.16 -0.43 0.00 0.02 0.00 0.00 57.03 56.13 2rkg h ASP 29 Cb 1.19 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 40.52 2rkg h ASP 29 CO 0.59 0.83 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.48 2rkg s ASP 30 N -6.90 2.26 -0.15 6.45 1.01 -1.26 -2.39 116.67 115.69 2rkg s ASP 30 Ca -0.04 -1.23 -0.06 0.00 0.71 0.00 0.00 52.55 51.94 2rkg s ASP 30 Cb 0.12 -0.07 -0.04 0.00 1.01 0.00 0.00 42.92 43.94 2rkg s ASP 30 CO 0.80 -0.46 0.04 -0.89 0.21 0.00 0.00 175.17 174.87 2rkg s THR 31 N -3.25 4.62 -0.03 -1.27 2.01 -1.26 -3.25 115.64 113.22 2rkg s THR 31 Ca 0.30 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2rkg s THR 31 Cb 0.05 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.54 2rkg s THR 31 CO 0.11 0.51 -0.04 -0.51 -0.69 0.00 0.00 174.62 174.00 2rkg s ILE 32 N -0.01 0.45 0.14 1.82 2.07 -0.35 -0.86 121.20 124.46 2rkg s ILE 32 Ca 0.05 -0.12 0.07 0.00 -1.41 0.00 0.00 60.65 59.24 2rkg s ILE 32 Cb -0.12 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.96 2rkg s ILE 32 CO 0.01 0.18 -0.01 -0.76 -1.91 0.00 0.00 174.94 172.45 2rkg s LEU 33 N 0.64 3.31 0.91 8.50 1.43 0.56 -0.43 118.68 133.60 2rkg s LEU 33 Ca -0.08 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 2rkg s LEU 33 Cb -0.11 -2.00 0.11 0.00 0.03 0.00 0.00 46.19 44.22 2rkg s LEU 33 CO -0.00 0.12 0.98 -0.62 0.23 0.00 0.00 176.35 177.06 2rkg n GLU 34 N 0.16 -0.33 0.27 1.70 1.02 -1.26 -2.00 120.64 120.19 2rkg n GLU 34 Ca -0.10 -0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.11 2rkg n GLU 34 Cb 0.54 -2.26 0.71 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.67 0.00 0.00 3.49 4.57 -1.60 -1.07 114.58 118.29 2rkg h GLU 35 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2rkg h GLU 35 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2rkg h GLU 35 CO 0.40 0.04 0.00 0.39 -1.18 0.00 0.00 179.01 178.67 2rkg n GLU 36 N -4.19 0.58 -2.30 1.92 4.71 -1.26 -4.82 120.64 115.27 2rkg n GLU 36 Ca -0.03 0.01 -0.42 0.00 -0.01 0.00 0.00 57.16 56.71 2rkg n GLU 36 Cb 0.13 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 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 -2.41 4.35 -0.37 3.49 1.75 -0.41 -4.99 119.30 120.72 2rkg s MET 37 Ca 0.33 1.91 -0.08 0.00 -1.25 0.00 0.00 55.69 56.60 2rkg s MET 37 Cb 0.20 -3.39 0.05 0.00 2.84 0.00 0.00 34.83 34.54 2rkg s MET 37 CO 0.42 -0.41 0.18 -1.54 -0.65 0.00 0.00 175.02 173.02 2rkg s SER 38 N 1.30 5.50 -0.11 1.11 1.04 -1.26 -5.03 113.70 116.26 2rkg s SER 38 Ca 0.62 -1.25 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 2rkg s SER 38 Cb -0.32 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 2rkg s SER 38 CO 0.28 -0.41 -0.06 -0.76 0.98 0.00 0.00 173.24 173.28 2rkg s LEU 39 N 1.43 3.20 0.61 2.42 1.43 -1.26 -5.00 118.68 121.52 2rkg s LEU 39 Ca 0.01 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 2rkg s LEU 39 Cb -0.21 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2rkg s LEU 39 CO 0.03 0.27 1.03 -2.16 0.23 0.00 0.00 176.35 175.75 2rkg s PRO 40 N -0.27 3.54 0.50 1.29 0.04 -1.26 -4.98 135.00 133.86 2rkg s PRO 40 Ca 0.04 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2rkg s PRO 40 Cb -0.13 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2rkg s PRO 40 CO 0.02 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2rkg n GLY 41 N -2.20 -2.28 3.73 0.56 0.00 -1.26 -4.96 105.19 98.78 2rkg n GLY 41 Ca 0.07 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 2rkg n GLY 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2rkg n ARG 42 N -0.32 1.47 -4.06 1.61 3.00 -1.26 -5.06 116.66 112.04 2rkg n ARG 42 Ca 0.00 0.55 -0.10 0.00 -0.00 0.00 0.00 57.85 58.30 2rkg n ARG 42 Cb 0.00 -2.55 -0.08 0.00 0.00 0.00 0.00 32.46 29.83 2rkg n ARG 42 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 2rkg s TRP 43 N -1.33 0.66 -0.02 -0.14 1.48 -1.26 -4.76 118.94 113.58 2rkg s TRP 43 Ca 0.76 -1.01 0.06 0.00 -1.06 0.00 0.00 56.10 54.85 2rkg s TRP 43 Cb -0.41 -0.25 -0.02 0.00 -1.16 0.00 0.00 33.47 31.64 2rkg s TRP 43 CO 0.46 -0.67 -0.21 0.95 -4.06 0.00 0.00 176.95 173.42 2rkg s THR 44 N -4.03 1.64 0.30 0.66 -4.23 -0.28 -4.89 115.64 104.81 2rkg s THR 44 Ca 0.23 -0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 59.57 2rkg s THR 44 Cb 0.05 -1.36 -0.10 0.00 1.34 0.00 0.00 72.50 72.42 2rkg s THR 44 CO 0.03 0.46 1.34 -2.16 -0.54 0.00 0.00 174.62 173.76 2rkg s PRO 45 N -0.46 4.33 0.08 3.99 0.04 -1.26 -0.27 135.00 141.45 2rkg s PRO 45 Ca 0.07 2.24 -0.05 0.00 0.04 0.00 0.00 61.00 63.30 2rkg s PRO 45 Cb -0.08 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 2rkg s PRO 45 CO -0.01 -0.26 0.08 0.21 0.04 0.00 0.00 177.00 177.07 2rkg s LYS 46 N -1.32 0.75 -0.06 4.56 2.20 -0.85 -4.85 119.74 120.16 2rkg s LYS 46 Ca 0.52 -1.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2rkg s LYS 46 Cb -0.40 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 2rkg s LYS 46 CO 0.50 -0.20 -0.16 0.08 -0.36 0.00 0.00 175.35 175.21 2rkg s VAL 47 N -3.90 1.40 -0.09 4.02 1.01 -1.26 -0.43 120.40 121.15 2rkg s VAL 47 Ca 0.08 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2rkg s VAL 47 Cb 0.06 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2rkg s VAL 47 CO -0.09 0.41 -0.10 -0.69 0.00 0.00 0.00 175.10 174.63 2rkg s VAL 48 N 0.38 3.41 -0.18 2.92 1.01 -0.12 -4.94 120.40 122.88 2rkg s VAL 48 Ca -0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2rkg s VAL 48 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2rkg s VAL 48 CO 0.04 0.57 -0.06 -0.83 0.00 0.00 0.00 175.10 174.82 2rkg s GLY 49 N -0.41 1.61 0.00 4.51 0.00 -1.26 -0.14 107.32 111.64 2rkg s GLY 49 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2rkg s GLY 49 CO 0.02 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.91 2rkg n GLY 50 N 4.23 6.07 3.71 0.20 0.00 0.36 -4.98 105.19 114.79 2rkg n GLY 50 Ca -0.18 -1.92 -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 1.60 4.36 0.00 -0.61 1.01 -1.26 -3.25 121.20 123.06 2rkg s ILE 51 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.37 2rkg s ILE 51 Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2rkg s ILE 51 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2rkg n GLY 52 N 2.99 2.78 0.00 6.18 0.00 -1.26 -4.98 105.19 110.90 2rkg n GLY 52 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.19 3.40 -0.02 0.00 -1.20 -5.13 105.19 102.43 2rkg n GLY 53 Ca 0.00 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 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 2.07 -0.00 1.61 0.08 -1.26 -0.48 117.98 115.99 2rkg s PHE 54 Ca 0.00 -0.42 -0.03 0.00 0.12 0.00 0.00 56.93 56.60 2rkg s PHE 54 Cb 0.00 -0.96 -0.00 0.00 -0.57 0.00 0.00 43.02 41.48 2rkg s PHE 54 CO 0.00 0.51 0.06 0.00 -0.10 0.00 0.00 175.22 175.69 2rkg s MET 55 N -3.19 0.31 0.17 0.44 0.23 0.80 -4.98 119.30 113.08 2rkg s MET 55 Ca 0.23 -0.33 -0.30 0.00 -1.03 0.00 0.00 55.69 54.27 2rkg s MET 55 Cb -0.05 0.12 -0.07 0.00 -1.53 0.00 0.00 34.83 33.30 2rkg s MET 55 CO 0.10 -0.06 1.03 0.15 -2.03 0.00 0.00 175.02 174.21 2rkg s LYS 56 N -1.00 4.67 0.23 3.16 1.02 -1.26 -0.94 119.74 125.61 2rkg s LYS 56 Ca -0.11 1.60 0.01 0.00 0.02 0.00 0.00 55.97 57.50 2rkg s LYS 56 Cb -0.06 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 2rkg s LYS 56 CO 0.00 0.19 0.07 0.14 -0.92 0.00 0.00 175.35 174.83 2rkg s VAL 57 N -0.34 0.54 -0.17 3.17 -7.23 0.43 -4.54 120.40 112.27 2rkg s VAL 57 Ca 0.47 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.59 2rkg s VAL 57 Cb -0.27 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2rkg s VAL 57 CO 0.33 -0.13 0.02 -0.13 -0.31 0.00 0.00 175.10 174.88 2rkg s ARG 58 N -4.01 3.83 -0.26 4.82 0.52 -0.04 -2.01 118.95 121.80 2rkg s ARG 58 Ca 0.34 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 55.04 2rkg s ARG 58 Cb 0.07 -3.09 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 2rkg s ARG 58 CO 0.11 0.28 0.16 -1.14 0.02 0.00 0.00 175.30 174.74 2rkg s GLN 59 N 0.30 3.96 -0.16 3.54 0.74 0.63 -1.00 119.66 127.67 2rkg s GLN 59 Ca 0.01 -0.32 -0.03 0.00 0.05 0.00 0.00 55.36 55.07 2rkg s GLN 59 Cb -0.13 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.39 2rkg s GLN 59 CO 0.01 -0.09 -0.07 0.71 -0.55 0.00 0.00 175.29 175.31 2rkg s TYR 60 N 1.47 2.94 0.33 1.67 2.02 -0.06 -1.12 117.35 124.60 2rkg s TYR 60 Ca 0.07 -0.55 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2rkg s TYR 60 Cb -0.15 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 2rkg s TYR 60 CO 0.08 -0.21 0.55 -0.51 -1.57 0.00 0.00 175.55 173.89 2rkg s ASP 61 N 0.63 6.34 -1.36 2.29 1.01 -1.26 -0.72 116.67 123.60 2rkg s ASP 61 Ca -0.04 0.54 -0.01 0.00 0.71 0.00 0.00 52.55 53.76 2rkg s ASP 61 Cb -0.15 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 41.72 2rkg s ASP 61 CO 0.03 -0.27 0.60 0.00 0.21 0.00 0.00 175.17 175.74 2rkg n GLN 62 N -1.51 -4.26 -3.45 8.23 6.02 -1.20 -4.91 117.38 116.30 2rkg n GLN 62 Ca -0.04 0.53 -0.37 0.00 -0.01 0.00 0.00 57.00 57.11 2rkg n GLN 62 Cb 0.55 -4.93 -0.06 0.00 1.02 0.00 0.00 30.24 26.82 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 -3.77 5.22 -0.07 5.09 -1.09 -0.14 -4.81 121.20 121.63 2rkg s ILE 63 Ca 0.04 0.75 -0.29 0.00 -2.23 0.00 0.00 60.65 58.92 2rkg s ILE 63 Cb -0.02 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 2rkg s ILE 63 CO 0.85 0.40 0.96 -0.22 -1.23 0.00 0.00 174.94 175.69 2rkg s LEU 64 N 0.26 4.29 -0.08 2.97 2.96 -1.26 -1.60 118.68 126.22 2rkg s LEU 64 Ca 0.21 1.52 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 2rkg s LEU 64 Cb -0.14 -3.49 0.01 0.00 0.50 0.00 0.00 46.19 43.06 2rkg s LEU 64 CO 0.08 -0.35 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.92 2rkg s VAL 65 N 1.56 1.40 -0.37 1.68 1.01 0.14 -4.33 120.40 121.49 2rkg s VAL 65 Ca 0.48 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 2rkg s VAL 65 Cb -0.19 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2rkg s VAL 65 CO 0.21 0.42 0.21 -0.70 0.00 0.00 0.00 175.10 175.24 2rkg s GLU 66 N 0.70 2.87 -0.27 2.72 2.12 -0.32 -0.82 118.70 125.71 2rkg s GLU 66 Ca -0.13 -1.05 -0.01 0.00 0.36 0.00 0.00 54.97 54.14 2rkg s GLU 66 Cb -0.16 -3.75 0.04 0.00 0.26 0.00 0.00 34.13 30.52 2rkg s GLU 66 CO 0.03 -0.69 -0.05 0.42 -0.54 0.00 0.00 175.26 174.43 2rkg s ILE 67 N 1.57 2.78 -1.54 -3.70 1.01 0.29 -1.16 121.20 120.44 2rkg s ILE 67 Ca 0.02 -1.27 -0.11 0.00 0.00 0.00 0.00 60.65 59.30 2rkg s ILE 67 Cb -0.19 -2.51 0.08 0.00 0.01 0.00 0.00 42.46 39.85 2rkg s ILE 67 CO 0.07 0.05 0.74 0.00 0.00 0.00 0.00 174.94 175.80 2rkg n GLY 69 N -1.65 2.68 3.71 0.00 0.00 -1.26 -5.00 105.19 103.67 2rkg n GLY 69 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.39 3.19 -0.19 1.61 5.65 -0.77 -4.96 115.29 119.43 2rkg s HIS 70 Ca 0.00 1.00 -0.17 0.00 0.25 0.00 0.00 55.06 56.14 2rkg s HIS 70 Cb 0.00 -3.61 -0.04 0.00 -1.18 0.00 0.00 32.58 27.75 2rkg s HIS 70 CO 0.00 -2.12 0.46 0.15 -0.65 0.00 0.00 174.74 172.57 2rkg s LYS 71 N 1.44 4.19 0.15 2.88 1.02 -1.26 -0.55 119.74 127.61 2rkg s LYS 71 Ca 0.63 0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.96 2rkg s LYS 71 Cb -0.34 -3.54 -0.05 0.00 -0.52 0.00 0.00 37.83 33.39 2rkg s LYS 71 CO 0.29 -0.07 -0.04 0.14 -0.92 0.00 0.00 175.35 174.74 2rkg s VAL 72 N 1.40 0.85 -0.05 3.17 -7.23 0.00 -5.00 120.40 113.54 2rkg s VAL 72 Ca 0.22 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 2rkg s VAL 72 Cb -0.15 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 34.86 2rkg s VAL 72 CO 0.09 -0.64 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.55 2rkg s ILE 73 N -3.53 0.64 0.12 -0.62 1.01 -1.26 -0.68 121.20 116.88 2rkg s ILE 73 Ca 0.19 -0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 2rkg s ILE 73 Cb 0.05 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 41.93 2rkg s ILE 73 CO 0.01 0.25 0.81 0.61 0.00 0.00 0.00 174.94 176.62 2rkg n GLY 74 N 4.00 0.71 3.74 6.18 0.00 -0.62 -4.90 105.19 114.30 2rkg n GLY 74 Ca -0.25 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.16 3.82 -0.06 2.61 2.01 -1.26 -0.97 115.64 119.62 2rkg s THR 75 Ca 0.18 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.87 2rkg s THR 75 Cb -0.02 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.44 2rkg s THR 75 CO 0.04 0.33 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.46 2rkg s VAL 76 N -0.59 1.25 0.03 3.82 1.01 0.10 -4.49 120.40 121.53 2rkg s VAL 76 Ca 0.47 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2rkg s VAL 76 Cb -0.29 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2rkg s VAL 76 CO 0.36 0.38 0.33 -0.76 0.00 0.00 0.00 175.10 175.41 2rkg s LEU 77 N 0.52 4.37 -0.09 3.92 1.43 -0.04 -0.88 118.68 127.90 2rkg s LEU 77 Ca -0.13 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 2rkg s LEU 77 Cb -0.15 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.30 2rkg s LEU 77 CO 0.04 0.23 -0.15 -0.69 0.23 0.00 0.00 176.35 176.01 2rkg s VAL 78 N -1.32 1.41 0.08 -1.59 1.01 -0.17 -0.33 120.40 119.49 2rkg s VAL 78 Ca 0.29 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 2rkg s VAL 78 Cb -0.14 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2rkg s VAL 78 CO 0.16 0.42 0.43 0.61 0.00 0.00 0.00 175.10 176.73 2rkg n GLY 79 N 4.02 1.01 2.18 4.51 0.00 -0.85 -0.86 105.19 115.20 2rkg n GLY 79 Ca -0.20 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.30 1.94 -2.56 1.61 -0.04 -1.26 -1.74 135.00 132.65 2rkg n PRO 80 Ca -0.01 -1.06 -0.37 0.00 -0.04 0.00 0.00 63.50 62.02 2rkg n PRO 80 Cb 0.24 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 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 1.70 3.72 0.33 0.52 -1.32 -1.26 -4.96 115.64 114.38 2rkg s THR 81 Ca 0.55 1.43 0.27 0.00 -1.21 0.00 0.00 61.69 62.72 2rkg s THR 81 Cb 0.23 -3.79 0.28 0.00 -1.51 0.00 0.00 72.50 67.71 2rkg s THR 81 CO -0.01 0.11 2.00 -0.65 -2.21 0.00 0.00 174.62 173.87 2rkg h PRO 82 N 2.91 0.00 -3.50 7.08 0.11 -1.99 -3.43 132.00 133.18 2rkg h PRO 82 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 2rkg h PRO 82 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.13 2rkg h PRO 82 CO 0.64 0.15 -0.45 0.00 -0.21 0.00 0.00 178.00 178.12 2rkg s ALA 83 N -4.02 -0.36 0.17 -0.75 0.00 -1.26 -5.08 121.76 110.47 2rkg s ALA 83 Ca -0.02 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 2rkg s ALA 83 Cb 0.12 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 23.31 2rkg s ALA 83 CO 0.60 -0.25 1.35 -0.80 0.00 0.00 0.00 175.76 176.66 2rkg s ASN 84 N -1.58 6.84 -0.07 0.00 0.01 -1.26 -4.71 114.94 114.17 2rkg s ASN 84 Ca -0.12 2.40 0.02 0.00 -0.71 0.00 0.00 52.86 54.45 2rkg s ASN 84 Cb -0.06 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.02 2rkg s ASN 84 CO 0.00 -0.59 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.27 2rkg s ILE 85 N 0.47 1.03 -0.43 0.60 1.01 0.43 -0.54 121.20 123.77 2rkg s ILE 85 Ca 0.60 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.68 2rkg s ILE 85 Cb -0.37 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2rkg s ILE 85 CO 0.36 0.34 0.47 -0.63 0.00 0.00 0.00 174.94 175.47 2rkg s ILE 86 N 0.85 5.05 0.54 2.92 -1.09 0.50 -1.21 121.20 128.77 2rkg s ILE 86 Ca -0.11 -0.32 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 2rkg s ILE 86 Cb -0.15 -4.07 0.10 0.00 -1.58 0.00 0.00 42.46 36.76 2rkg s ILE 86 CO 0.01 -0.46 0.74 0.61 -1.23 0.00 0.00 174.94 174.61 2rkg n GLY 87 N 5.11 0.91 0.27 6.18 0.00 -1.20 -1.55 105.19 114.90 2rkg n GLY 87 Ca -0.07 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.49 1.61 3.08 -0.58 -1.30 114.38 116.70 2rkg h ARG 88 Ca -0.25 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.90 2rkg h ARG 88 Cb 0.94 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 2rkg h ARG 88 CO 0.28 0.10 0.34 -2.95 -1.07 0.00 0.00 179.97 176.66 2rkg h ASN 89 N 0.00 0.22 0.00 7.04 -1.07 -1.73 -1.93 115.58 118.10 2rkg h ASN 89 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.01 2rkg h ASN 89 Cb 0.24 -0.04 -0.07 0.00 -2.07 0.00 0.00 38.32 36.38 2rkg h ASN 89 CO 0.01 0.13 -2.39 0.18 0.07 0.00 0.00 177.43 175.44 2rkg n LEU 90 N -4.45 0.29 -0.12 6.14 4.32 -0.83 -4.45 117.00 117.90 2rkg n LEU 90 Ca 0.08 -0.01 -0.02 0.00 -0.02 0.00 0.00 56.01 56.03 2rkg n LEU 90 Cb 0.39 0.36 0.21 0.00 -1.62 0.00 0.00 43.42 42.76 2rkg n LEU 90 CO 0.35 0.54 1.00 -0.07 -1.22 0.00 0.00 177.39 177.98 2rkg h LEU 91 N 0.00 0.74 -1.77 2.23 3.38 -0.91 -1.02 115.31 117.96 2rkg h LEU 91 Ca -0.55 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2rkg h LEU 91 Cb 2.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2rkg h LEU 91 CO 0.02 0.72 0.16 0.71 0.09 0.00 0.00 178.44 180.13 2rkg h THR 92 N 0.78 1.06 0.00 0.22 1.35 -1.59 -2.22 112.91 112.50 2rkg h THR 92 Ca 0.18 -0.11 -0.07 0.00 -0.55 0.00 0.00 66.41 65.86 2rkg h THR 92 Cb 0.26 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 2rkg h THR 92 CO -0.01 0.06 -0.34 1.56 -0.25 0.00 0.00 175.52 176.55 2rkg h GLN 93 N 0.31 0.00 -0.64 4.72 1.08 -1.40 -2.73 115.11 116.45 2rkg h GLN 93 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2rkg h GLN 93 Cb -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2rkg h GLN 93 CO -0.02 0.34 0.00 0.44 -0.95 0.00 0.00 178.83 178.64 2rkg n ILE 94 N -3.46 1.25 -2.37 2.54 -5.35 -0.98 -4.94 119.36 106.05 2rkg n ILE 94 Ca 0.00 -0.95 -0.15 0.00 -0.27 0.00 0.00 62.75 61.38 2rkg n ILE 94 Cb 0.50 0.24 -0.00 0.00 -1.74 0.00 0.00 39.64 38.64 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 1.27 -0.24 3.70 3.28 0.00 -1.03 -4.97 105.19 107.21 2rkg n GLY 95 Ca 0.22 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 1.64 1.63 -0.08 0.00 -4.23 -1.26 -4.75 115.64 108.59 2rkg s THR 97 Ca 0.59 -1.87 -0.10 0.00 -1.18 0.00 0.00 61.69 59.13 2rkg s THR 97 Cb -0.29 -1.75 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 2rkg s THR 97 CO 0.27 -0.38 0.25 -0.76 -0.54 0.00 0.00 174.62 173.46 2rkg s LEU 98 N -2.64 4.41 -0.01 4.79 1.43 -1.26 -5.10 118.68 120.30 2rkg s LEU 98 Ca 0.14 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2rkg s LEU 98 Cb -0.05 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 2rkg s LEU 98 CO 0.05 0.35 -0.08 0.20 0.23 0.00 0.00 176.35 177.10 2rkg s ASN 99 N -0.91 0.96 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.86 2rkg s ASN 99 Ca 0.18 -0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.32 2rkg s ASN 99 Cb -0.14 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 2rkg s ASN 99 CO 0.07 0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.92