#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkg s ALA 2 N 0.00 1.33 -0.40 3.04 0.00 -1.26 -4.59 121.76 119.89 1kkg s ALA 2 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1kkg s ALA 2 Cb 0.00 -1.02 0.16 0.00 0.00 0.00 0.00 23.12 22.26 1kkg s ALA 2 CO 0.00 -0.65 0.41 0.21 0.00 0.00 0.00 175.76 175.72 1kkg s LYS 3 N 1.70 0.76 -1.12 0.00 2.36 -1.26 -5.07 119.74 117.11 1kkg s LYS 3 Ca 0.02 -1.22 -0.22 0.00 -2.55 0.00 0.00 55.97 52.01 1kkg s LYS 3 Cb -0.14 -0.83 0.01 0.00 -1.05 0.00 0.00 37.83 35.81 1kkg s LYS 3 CO -0.08 -1.26 1.74 -2.00 1.55 0.00 0.00 175.35 175.30 1kkg s GLU 4 N 1.00 3.28 -0.04 4.03 2.12 -1.26 -2.68 118.70 125.15 1kkg s GLU 4 Ca 0.23 -1.24 -0.01 0.00 0.36 0.00 0.00 54.97 54.30 1kkg s GLU 4 Cb -0.09 -5.33 0.03 0.00 0.26 0.00 0.00 34.13 28.99 1kkg s GLU 4 CO -0.06 -2.84 0.06 0.12 -0.54 0.00 0.00 175.26 172.00 1kkg s PHE 5 N 7.05 0.02 0.53 5.30 2.19 -1.26 -5.00 117.98 126.81 1kkg s PHE 5 Ca 0.58 0.24 0.33 0.00 0.33 0.00 0.00 56.93 58.42 1kkg s PHE 5 Cb -0.00 -0.35 1.14 0.00 -1.31 0.00 0.00 43.02 42.50 1kkg s PHE 5 CO 0.02 -0.15 1.27 0.41 1.83 0.00 0.00 175.22 178.60 1kkg n GLY 6 N 4.80 -0.78 3.16 13.12 0.00 -1.26 -3.16 105.19 121.08 1kkg n GLY 6 Ca -0.14 0.46 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 1kkg n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkg n ARG 7 N -3.34 -3.86 0.00 1.61 1.74 -1.26 -4.81 116.66 106.74 1kkg n ARG 7 Ca 0.29 -1.14 0.06 0.00 -0.77 0.00 0.00 57.85 56.29 1kkg n ARG 7 Cb 1.58 -1.78 0.33 0.00 -1.02 0.00 0.00 32.46 31.57 1kkg n ARG 7 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1kkg n PRO 8 N -4.38 0.75 0.07 5.56 -0.04 -1.26 -3.01 135.00 132.69 1kkg n PRO 8 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1kkg n PRO 8 Cb 0.51 -1.23 -0.13 0.00 -0.04 0.00 0.00 33.50 32.61 1kkg n PRO 8 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1kkg h GLN 9 N 0.00 0.52 0.11 0.54 5.75 -1.87 -2.31 115.11 117.84 1kkg h GLN 9 Ca 0.00 -0.70 0.02 0.00 -0.15 0.00 0.00 58.65 57.82 1kkg h GLN 9 Cb 0.00 0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 1kkg h GLN 9 CO 0.00 1.30 -0.22 -0.09 -2.65 0.00 0.00 178.83 177.17 1kkg h ARG 10 N 0.07 -0.39 -0.89 1.69 1.12 -1.41 0.48 114.38 115.06 1kkg h ARG 10 Ca -0.16 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.73 1kkg h ARG 10 Cb 1.74 0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 31.75 1kkg h ARG 10 CO 0.20 -0.26 0.50 -0.24 -3.11 0.00 0.00 179.97 177.06 1kkg h VAL 11 N -0.40 1.25 -1.01 0.20 3.04 -1.74 0.22 116.25 117.81 1kkg h VAL 11 Ca 0.03 -0.60 0.01 0.00 -1.01 0.00 0.00 66.70 65.13 1kkg h VAL 11 Cb 0.43 0.04 -0.05 0.00 -2.01 0.00 0.00 31.29 29.70 1kkg h VAL 11 CO -0.12 0.28 0.67 0.00 -1.01 0.00 0.00 177.57 177.38 1kkg h ALA 12 N 1.27 1.28 0.24 3.17 0.00 -0.77 -1.19 119.26 123.27 1kkg h ALA 12 Ca 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1kkg h ALA 12 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1kkg h ALA 12 CO -0.05 0.66 -0.12 1.96 0.00 0.00 0.00 179.25 181.70 1kkg h GLN 13 N 1.36 -0.31 -0.90 0.00 1.08 0.93 0.29 115.11 117.56 1kkg h GLN 13 Ca 0.37 0.02 0.28 0.00 -1.45 0.00 0.00 58.65 57.88 1kkg h GLN 13 Cb -0.15 0.07 -0.17 0.00 -0.05 0.00 0.00 27.48 27.18 1kkg h GLN 13 CO -0.08 -0.21 0.14 0.39 -0.95 0.00 0.00 178.83 178.12 1kkg n GLU 14 N -3.57 -0.07 -0.07 1.46 -0.58 0.70 0.20 120.64 118.71 1kkg n GLU 14 Ca -0.04 1.33 -0.15 0.00 -0.42 0.00 0.00 57.16 57.88 1kkg n GLU 14 Cb 0.13 -2.18 -0.05 0.00 -0.57 0.00 0.00 31.44 28.77 1kkg n GLU 14 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1kkg h MET 15 N 0.00 0.81 -0.27 3.49 2.86 -1.25 -1.50 114.93 119.07 1kkg h MET 15 Ca 0.61 -0.53 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1kkg h MET 15 Cb 1.37 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 1kkg h MET 15 CO -0.81 1.16 0.08 0.37 1.06 0.00 0.00 176.91 178.77 1kkg h GLN 16 N 0.56 0.37 -0.03 1.72 4.15 0.46 0.64 115.11 122.99 1kkg h GLN 16 Ca 0.00 -0.05 -0.22 0.00 0.77 0.00 0.00 58.65 59.16 1kkg h GLN 16 Cb 1.15 -0.07 0.02 0.00 0.21 0.00 0.00 27.48 28.78 1kkg h GLN 16 CO 0.12 0.34 -0.84 -0.22 -1.93 0.00 0.00 178.83 176.30 1kkg h LYS 17 N 0.37 0.61 -0.47 1.69 3.11 0.23 0.51 116.57 122.63 1kkg h LYS 17 Ca 0.09 -0.63 -0.12 0.00 -2.81 0.00 0.00 60.65 57.18 1kkg h LYS 17 Cb 0.13 0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 1kkg h LYS 17 CO -0.01 1.23 -0.20 1.49 -2.81 0.00 0.00 179.45 179.16 1kkg h GLU 18 N 0.24 0.94 0.05 1.90 4.57 -0.59 -0.79 114.58 120.90 1kkg h GLU 18 Ca -0.10 -0.39 -0.27 0.00 -1.18 0.00 0.00 59.36 57.42 1kkg h GLU 18 Cb 1.51 -0.04 0.02 0.00 -0.16 0.00 0.00 28.75 30.08 1kkg h GLU 18 CO 0.17 1.05 -1.12 -0.84 -1.18 0.00 0.00 179.01 177.09 1kkg h ILE 19 N 0.82 1.31 -0.31 2.32 3.07 0.24 -1.71 117.51 123.24 1kkg h ILE 19 Ca 0.11 -2.39 -0.00 0.00 1.55 0.00 0.00 64.86 64.13 1kkg h ILE 19 Cb 0.76 2.53 -0.02 0.00 -0.27 0.00 0.00 36.82 39.82 1kkg h ILE 19 CO 0.06 0.73 0.18 0.00 -1.05 0.00 0.00 178.15 178.07 1kkg h ALA 20 N 0.42 1.74 0.25 0.16 0.00 0.14 1.15 119.26 123.11 1kkg h ALA 20 Ca -0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1kkg h ALA 20 Cb 1.78 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1kkg h ALA 20 CO 0.21 0.23 -0.12 1.25 0.00 0.00 0.00 179.25 180.82 1kkg h LEU 21 N 0.43 -0.29 -2.86 0.00 6.46 -1.09 -1.90 115.31 116.06 1kkg h LEU 21 Ca 0.11 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1kkg h LEU 21 Cb -0.01 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1kkg h LEU 21 CO -0.02 0.17 0.04 0.40 -0.62 0.00 0.00 178.44 178.41 1kkg h ILE 22 N -1.09 0.02 0.00 4.05 2.04 -1.14 2.45 117.51 123.85 1kkg h ILE 22 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1kkg h ILE 22 Cb 0.26 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1kkg h ILE 22 CO 0.06 0.00 -0.43 0.25 0.00 0.00 0.00 178.15 178.03 1kkg h LEU 23 N 0.00 0.00 0.00 1.44 6.46 0.14 -1.34 115.31 122.01 1kkg h LEU 23 Ca 0.00 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1kkg h LEU 23 Cb 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1kkg h LEU 23 CO -0.00 0.04 -0.76 0.00 -0.62 0.00 0.00 178.44 177.11 1kkg n GLN 24 N -2.41 2.79 -0.02 1.25 6.02 0.28 -4.25 117.38 121.04 1kkg n GLN 24 Ca 0.03 -0.03 -0.03 0.00 -0.01 0.00 0.00 57.00 56.97 1kkg n GLN 24 Cb 0.47 -0.99 -0.01 0.00 1.02 0.00 0.00 30.24 30.73 1kkg n GLN 24 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1kkg n ARG 25 N -1.42 0.17 0.28 -1.09 3.00 0.75 -4.54 116.66 113.81 1kkg n ARG 25 Ca 0.00 0.07 0.19 0.00 -0.01 0.00 0.00 57.85 58.10 1kkg n ARG 25 Cb 0.16 -0.71 0.98 0.00 0.00 0.00 0.00 32.46 32.88 1kkg n ARG 25 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1kkg h GLU 26 N -0.31 0.00 0.00 5.56 -0.00 -1.40 -3.42 114.58 115.00 1kkg h GLU 26 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 58.99 1kkg h GLU 26 Cb 0.31 0.00 0.14 0.00 -0.00 0.00 0.00 28.75 29.20 1kkg h GLU 26 CO 0.00 0.00 0.32 1.51 -0.00 0.00 0.00 179.01 180.84 1kkg n ILE 27 N -2.81 0.00 -3.19 -1.06 3.06 -1.07 -5.00 119.36 109.29 1kkg n ILE 27 Ca -0.02 -0.90 -0.37 0.00 -2.50 0.00 0.00 62.75 58.96 1kkg n ILE 27 Cb 0.08 -1.49 -0.03 0.00 0.54 0.00 0.00 39.64 38.74 1kkg n ILE 27 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 1kkg n LYS 28 N -3.26 3.67 -0.08 9.51 0.00 -1.26 -4.77 118.16 121.96 1kkg n LYS 28 Ca 0.14 -4.60 -0.15 0.00 -0.00 0.00 0.00 58.31 53.70 1kkg n LYS 28 Cb 0.49 -2.41 -0.11 0.00 -0.00 0.00 0.00 35.03 32.99 1kkg n LYS 28 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1kkg h ASP 29 N 5.02 0.00 0.00 -5.58 1.82 -1.84 -3.10 116.42 112.73 1kkg h ASP 29 Ca 0.20 -0.77 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 1kkg h ASP 29 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1kkg h ASP 29 CO 1.13 1.10 0.00 -0.81 -1.61 0.00 0.00 179.24 179.05 1kkg n PRO 30 N -4.57 0.75 -0.11 0.28 -0.04 -1.26 -2.47 135.00 127.59 1kkg n PRO 30 Ca -0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 1kkg n PRO 30 Cb 0.50 -1.42 -0.09 0.00 -0.04 0.00 0.00 33.50 32.46 1kkg n PRO 30 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1kkg n ARG 31 N -0.92 0.55 0.27 0.54 0.63 -1.24 -4.22 116.66 112.27 1kkg n ARG 31 Ca 0.15 0.45 0.15 0.00 -0.92 0.00 0.00 57.85 57.68 1kkg n ARG 31 Cb 0.07 -1.64 0.76 0.00 0.45 0.00 0.00 32.46 32.10 1kkg n ARG 31 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1kkg h LEU 32 N -1.00 0.00 -0.11 6.15 3.38 -1.51 -3.46 115.31 118.76 1kkg h LEU 32 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1kkg h LEU 32 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1kkg h LEU 32 CO -0.22 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.00 1kkg n GLY 33 N -0.42 0.88 3.40 0.83 0.00 -1.05 -5.06 105.19 103.79 1kkg n GLY 33 Ca -0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 1kkg n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kkg s MET 34 N -3.15 1.83 -0.30 1.61 -1.94 -1.03 -5.06 119.30 111.26 1kkg s MET 34 Ca 0.00 -1.84 0.02 0.00 -1.71 0.00 0.00 55.69 52.16 1kkg s MET 34 Cb 0.00 0.39 0.07 0.00 2.01 0.00 0.00 34.83 37.31 1kkg s MET 34 CO 0.00 -0.72 -0.03 1.41 -0.01 0.00 0.00 175.02 175.67 1kkg s MET 35 N -3.24 2.00 0.66 2.03 1.75 -1.26 -4.33 119.30 116.91 1kkg s MET 35 Ca 0.34 -1.54 -0.15 0.00 -1.25 0.00 0.00 55.69 53.10 1kkg s MET 35 Cb 0.01 -3.07 0.00 0.00 2.84 0.00 0.00 34.83 34.61 1kkg s MET 35 CO 0.23 -0.72 1.12 0.95 -0.65 0.00 0.00 175.02 175.94 1kkg s THR 36 N 1.05 3.18 0.16 10.11 -4.23 -1.26 -4.82 115.64 119.84 1kkg s THR 36 Ca -0.01 0.55 0.06 0.00 -1.18 0.00 0.00 61.69 61.10 1kkg s THR 36 Cb -0.20 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 1kkg s THR 36 CO -0.05 -0.34 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.68 1kkg s THR 37 N -2.32 1.38 -0.75 3.99 2.01 -0.46 -4.96 115.64 114.53 1kkg s THR 37 Ca 0.67 -2.09 0.03 0.00 0.31 0.00 0.00 61.69 60.62 1kkg s THR 37 Cb -0.21 -1.89 0.19 0.00 0.01 0.00 0.00 72.50 70.60 1kkg s THR 37 CO 0.42 -0.67 0.59 0.55 -0.69 0.00 0.00 174.62 174.81 1kkg n VAL 38 N -0.20 2.03 -0.53 3.82 3.14 -1.26 -1.31 118.33 124.02 1kkg n VAL 38 Ca -0.10 -4.96 -0.16 0.00 -2.96 0.00 0.00 64.34 56.16 1kkg n VAL 38 Cb 0.60 -2.23 0.09 0.00 -1.06 0.00 0.00 33.84 31.24 1kkg n VAL 38 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1kkg n SER 39 N 1.96 4.53 0.00 6.55 7.64 -1.26 -4.80 113.62 128.24 1kkg n SER 39 Ca 0.21 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1kkg n SER 39 Cb 0.36 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1kkg n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kkg n GLY 40 N -0.29 1.07 3.15 0.23 0.00 -1.26 -4.97 105.19 103.13 1kkg n GLY 40 Ca 0.36 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 1kkg n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkg s VAL 41 N -0.46 -0.35 -0.05 1.61 0.11 -1.26 -0.79 120.40 119.21 1kkg s VAL 41 Ca 0.00 0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1kkg s VAL 41 Cb 0.00 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1kkg s VAL 41 CO 0.00 0.08 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.20 1kkg s GLU 42 N 2.09 0.85 -0.24 1.54 0.41 0.29 -4.99 118.70 118.65 1kkg s GLU 42 Ca -0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 54.97 54.42 1kkg s GLU 42 Cb -0.11 -0.92 0.07 0.00 -1.78 0.00 0.00 34.13 31.40 1kkg s GLU 42 CO -0.11 -0.12 0.04 -1.64 -0.49 0.00 0.00 175.26 172.94 1kkg s MET 43 N 1.13 0.85 -0.31 1.61 -1.94 -1.26 -0.20 119.30 119.19 1kkg s MET 43 Ca -0.08 -0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 53.13 1kkg s MET 43 Cb -0.14 -2.16 0.05 0.00 2.01 0.00 0.00 34.83 34.60 1kkg s MET 43 CO -0.01 -0.75 0.01 -1.12 -0.01 0.00 0.00 175.02 173.13 1kkg s SER 44 N 1.69 4.89 0.00 3.03 0.01 -0.54 -4.92 113.70 117.85 1kkg s SER 44 Ca 0.02 -1.34 0.21 0.00 1.31 0.00 0.00 55.95 56.15 1kkg s SER 44 Cb -0.17 -1.71 0.37 0.00 0.21 0.00 0.00 66.02 64.72 1kkg s SER 44 CO -0.14 -0.27 1.33 0.54 0.41 0.00 0.00 173.24 175.11 1kkg n ARG 45 N 4.60 2.36 -0.29 12.44 3.00 -1.26 -1.71 116.66 135.81 1kkg n ARG 45 Ca -0.12 -2.16 0.29 0.00 -0.01 0.00 0.00 57.85 55.85 1kkg n ARG 45 Cb 0.43 -1.47 0.65 0.00 0.00 0.00 0.00 32.46 32.08 1kkg n ARG 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1kkg h ASP 46 N 4.10 0.17 0.00 0.55 5.19 -1.91 -3.38 116.42 121.14 1kkg h ASP 46 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1kkg h ASP 46 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1kkg h ASP 46 CO 0.00 0.04 0.00 0.18 -3.12 0.00 0.00 179.24 176.34 1kkg n LEU 47 N -4.37 -0.56 0.00 1.55 4.32 -1.26 -5.09 117.00 111.59 1kkg n LEU 47 Ca 0.24 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.72 1kkg n LEU 47 Cb 1.03 0.73 0.00 0.00 -1.62 0.00 0.00 43.42 43.56 1kkg n LEU 47 CO 0.34 -0.67 0.00 0.00 -1.22 0.00 0.00 177.39 175.85 1kkg n ALA 48 N -3.40 0.00 -3.64 -1.18 0.00 -1.25 -4.98 120.51 106.06 1kkg n ALA 48 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1kkg n ALA 48 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1kkg n ALA 48 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1kkg s TYR 49 N 0.00 -0.80 0.18 0.00 -0.85 -0.69 -1.60 117.35 113.58 1kkg s TYR 49 Ca 0.00 1.68 0.01 0.00 -0.52 0.00 0.00 57.07 58.25 1kkg s TYR 49 Cb 0.00 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.76 1kkg s TYR 49 CO 0.00 -0.40 0.02 0.00 -1.52 0.00 0.00 175.55 173.66 1kkg s ALA 50 N 1.19 1.33 -0.22 9.51 0.00 -0.71 -1.47 121.76 131.39 1kkg s ALA 50 Ca -0.07 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 50.24 1kkg s ALA 50 Cb -0.05 0.67 0.08 0.00 0.00 0.00 0.00 23.12 23.82 1kkg s ALA 50 CO -0.14 -0.36 0.14 0.15 0.00 0.00 0.00 175.76 175.55 1kkg s LYS 51 N -3.95 0.14 -0.16 0.00 1.02 0.72 0.27 119.74 117.78 1kkg s LYS 51 Ca 0.26 -0.14 -0.06 0.00 0.02 0.00 0.00 55.97 56.05 1kkg s LYS 51 Cb 0.06 -1.44 -0.04 0.00 -0.52 0.00 0.00 37.83 35.89 1kkg s LYS 51 CO 0.05 -0.78 0.05 0.08 -0.92 0.00 0.00 175.35 173.83 1kkg s VAL 52 N 2.18 4.71 0.17 3.17 1.01 -0.54 0.10 120.40 131.21 1kkg s VAL 52 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1kkg s VAL 52 Cb -0.16 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1kkg s VAL 52 CO -0.19 0.50 0.40 -0.47 0.00 0.00 0.00 175.10 175.35 1kkg s TYR 53 N 0.04 3.47 -0.22 5.22 6.14 0.03 0.21 117.35 132.25 1kkg s TYR 53 Ca 0.05 0.55 -0.09 0.00 0.64 0.00 0.00 57.07 58.22 1kkg s TYR 53 Cb -0.12 -2.00 0.09 0.00 0.42 0.00 0.00 41.96 40.34 1kkg s TYR 53 CO 0.01 0.39 0.48 0.14 0.64 0.00 0.00 175.55 177.22 1kkg s VAL 54 N -1.74 -0.46 -0.11 3.14 -7.23 0.24 -4.44 120.40 109.80 1kkg s VAL 54 Ca 0.41 0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.70 1kkg s VAL 54 Cb -0.12 -0.74 -0.02 0.00 0.56 0.00 0.00 36.38 36.07 1kkg s VAL 54 CO 0.26 0.04 -0.15 0.28 -0.31 0.00 0.00 175.10 175.22 1kkg s THR 55 N 2.22 2.91 0.35 5.32 -1.32 -0.42 -0.03 115.64 124.67 1kkg s THR 55 Ca -0.05 -0.73 0.04 0.00 -1.21 0.00 0.00 61.69 59.74 1kkg s THR 55 Cb -0.10 -2.19 -0.06 0.00 -1.51 0.00 0.00 72.50 68.64 1kkg s THR 55 CO -0.15 0.54 0.05 -0.36 -2.21 0.00 0.00 174.62 172.50 1kkg s PHE 56 N 0.09 2.05 -1.01 9.09 0.40 -1.23 -1.35 117.98 126.01 1kkg s PHE 56 Ca -0.06 -0.93 0.13 0.00 -0.60 0.00 0.00 56.93 55.47 1kkg s PHE 56 Cb -0.15 -1.37 0.38 0.00 0.51 0.00 0.00 43.02 42.40 1kkg s PHE 56 CO 0.05 0.07 1.32 -0.11 0.70 0.00 0.00 175.22 177.25 1kkg n LEU 57 N -0.75 3.21 -0.04 -0.37 7.94 -1.26 -3.08 117.00 122.64 1kkg n LEU 57 Ca -0.03 -2.10 0.25 0.00 -1.11 0.00 0.00 56.01 53.02 1kkg n LEU 57 Cb 0.67 -0.30 0.69 0.00 0.53 0.00 0.00 43.42 45.00 1kkg n LEU 57 CO 0.43 0.76 1.22 0.78 -1.11 0.00 0.00 177.39 179.48 1kkg h ASN 58 N 2.39 0.00 -0.99 1.96 -0.26 -1.93 0.34 115.58 117.08 1kkg h ASN 58 Ca 0.00 0.00 0.37 0.00 -0.56 0.00 0.00 56.30 56.11 1kkg h ASN 58 Cb 0.85 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.93 1kkg h ASN 58 CO 0.03 0.00 0.38 -0.67 -1.06 0.00 0.00 177.43 176.11 1kkg n ASP 59 N -3.71 0.21 -0.32 5.81 -0.08 -1.26 0.18 116.55 117.38 1kkg n ASP 59 Ca 0.14 1.66 0.26 0.00 -1.51 0.00 0.00 54.79 55.34 1kkg n ASP 59 Cb 0.91 -0.75 0.49 0.00 2.34 0.00 0.00 41.12 44.11 1kkg n ASP 59 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1kkg n LYS 60 N -5.32 -0.06 -3.91 -0.67 5.02 0.11 -3.65 118.16 109.67 1kkg n LYS 60 Ca 0.33 1.38 -0.28 0.00 -2.02 0.00 0.00 58.31 57.72 1kkg n LYS 60 Cb 1.12 -2.39 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 1kkg n LYS 60 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kkg s ASP 61 N -4.68 2.74 0.54 4.39 1.11 0.48 -4.98 116.67 116.27 1kkg s ASP 61 Ca -0.10 -0.60 0.35 0.00 0.18 0.00 0.00 52.55 52.38 1kkg s ASP 61 Cb 0.32 -0.95 1.61 0.00 1.07 0.00 0.00 42.92 44.98 1kkg s ASP 61 CO 0.76 -0.16 2.05 -0.08 1.18 0.00 0.00 175.17 178.92 1kkg h GLU 62 N 8.11 0.00 -0.10 8.23 4.81 -1.71 0.99 114.58 134.90 1kkg h GLU 62 Ca -0.27 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.82 1kkg h GLU 62 Cb 1.12 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.50 1kkg h GLU 62 CO 0.42 0.00 -0.50 0.22 -0.73 0.00 0.00 179.01 178.42 1kkg h ASP 63 N 0.00 0.62 1.87 1.04 3.58 -1.92 -0.94 116.42 120.66 1kkg h ASP 63 Ca 0.00 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.81 1kkg h ASP 63 Cb 0.33 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1kkg h ASP 63 CO 0.00 1.16 -0.07 0.00 -2.88 0.00 0.00 179.24 177.45 1kkg h ALA 64 N 0.48 0.96 -0.02 -0.78 0.00 -1.71 -1.16 119.26 117.03 1kkg h ALA 64 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1kkg h ALA 64 Cb 1.14 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1kkg h ALA 64 CO 0.10 0.00 -0.63 -0.24 0.00 0.00 0.00 179.25 178.48 1kkg h VAL 65 N 0.00 1.40 0.01 0.00 3.04 -0.74 0.71 116.25 120.68 1kkg h VAL 65 Ca 0.00 -2.05 -0.00 0.00 -1.01 0.00 0.00 66.70 63.64 1kkg h VAL 65 Cb 0.97 2.49 0.00 0.00 -2.01 0.00 0.00 31.29 32.74 1kkg h VAL 65 CO 0.00 0.60 -0.00 0.50 -1.01 0.00 0.00 177.57 177.66 1kkg h LYS 66 N -0.00 -0.01 -0.01 4.17 3.64 -1.19 -0.55 116.57 122.61 1kkg h LYS 66 Ca -0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1kkg h LYS 66 Cb 1.32 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1kkg h LYS 66 CO 0.13 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 178.01 1kkg h ALA 67 N 0.20 0.02 0.59 5.00 0.00 -1.32 0.80 119.26 124.55 1kkg h ALA 67 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1kkg h ALA 67 Cb 0.73 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1kkg h ALA 67 CO 0.00 -0.33 -0.45 0.78 0.00 0.00 0.00 179.25 179.25 1kkg h GLY 68 N -0.27 -1.23 0.71 0.00 0.00 0.34 0.21 103.07 102.83 1kkg h GLY 68 Ca 0.00 0.54 0.16 0.00 0.00 0.00 0.00 47.33 48.03 1kkg h GLY 68 CO 0.00 -0.39 0.49 1.19 0.00 0.00 0.00 176.54 177.82 1kkg h ILE 69 N -1.01 0.77 -0.22 2.60 2.10 -1.14 0.66 117.51 121.27 1kkg h ILE 69 Ca -0.08 -0.11 -0.09 0.00 1.08 0.00 0.00 64.86 65.66 1kkg h ILE 69 Cb 0.83 0.43 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 1kkg h ILE 69 CO 0.02 0.06 -0.26 0.50 -1.08 0.00 0.00 178.15 177.39 1kkg h LYS 70 N 0.32 0.42 0.02 2.19 3.64 0.01 0.48 116.57 123.65 1kkg h LYS 70 Ca 0.35 -0.16 -0.22 0.00 -1.27 0.00 0.00 60.65 59.35 1kkg h LYS 70 Cb 0.92 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1kkg h LYS 70 CO -0.09 0.65 -0.97 0.00 -2.27 0.00 0.00 179.45 176.77 1kkg h ALA 71 N 1.35 0.37 0.00 5.00 0.00 0.33 -1.67 119.26 124.65 1kkg h ALA 71 Ca 0.05 -0.75 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 1kkg h ALA 71 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1kkg h ALA 71 CO 0.05 0.88 -0.42 1.25 0.00 0.00 0.00 179.25 181.01 1kkg h LEU 72 N 0.16 0.00 0.03 0.00 5.85 -0.13 -0.40 115.31 120.83 1kkg h LEU 72 Ca -0.08 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.49 1kkg h LEU 72 Cb 1.62 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.67 1kkg h LEU 72 CO 0.16 0.42 -0.62 1.56 -0.34 0.00 0.00 178.44 179.62 1kkg h GLN 73 N 0.00 0.37 -0.01 1.25 1.08 0.06 -2.80 115.11 115.06 1kkg h GLN 73 Ca -0.00 -0.43 -0.14 0.00 -1.45 0.00 0.00 58.65 56.62 1kkg h GLN 73 Cb 1.12 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 1kkg h GLN 73 CO 0.05 1.12 -0.65 1.05 -0.95 0.00 0.00 178.83 179.46 1kkg h GLU 74 N -0.20 0.03 -0.20 1.46 -0.00 -1.30 -2.41 114.58 111.96 1kkg h GLU 74 Ca -0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 1kkg h GLU 74 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.12 1kkg h GLU 74 CO 0.12 0.66 0.00 0.00 -0.00 0.00 0.00 179.01 179.79 1kkg n ALA 75 N -2.42 2.47 -0.53 1.06 0.00 -0.16 -4.35 120.51 116.58 1kkg n ALA 75 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1kkg n ALA 75 Cb 0.64 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1kkg n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1kkg n SER 76 N 0.07 0.00 0.13 0.00 7.64 -0.91 -1.30 113.62 119.25 1kkg n SER 76 Ca 0.07 0.74 0.15 0.00 1.01 0.00 0.00 58.87 60.84 1kkg n SER 76 Cb 0.17 -0.24 0.45 0.00 -1.01 0.00 0.00 64.21 63.58 1kkg n SER 76 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1kkg h GLY 77 N 0.00 0.00 0.69 0.23 0.00 -1.81 0.71 103.07 102.88 1kkg h GLY 77 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1kkg h GLY 77 CO 0.00 0.00 -0.11 -2.75 0.00 0.00 0.00 176.54 173.68 1kkg h PHE 78 N 0.00 0.33 -0.20 5.60 3.04 -1.51 -0.43 116.94 123.76 1kkg h PHE 78 Ca 0.18 -0.10 -0.11 0.00 3.98 0.00 0.00 57.97 61.92 1kkg h PHE 78 Cb 1.81 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 40.24 1kkg h PHE 78 CO 0.00 0.69 -0.36 -0.84 -2.02 0.00 0.00 178.31 175.77 1kkg h ILE 79 N -0.13 1.29 -0.48 1.41 3.07 0.17 0.45 117.51 123.30 1kkg h ILE 79 Ca 0.02 -1.47 -0.07 0.00 1.55 0.00 0.00 64.86 64.88 1kkg h ILE 79 Cb 0.63 1.54 -0.02 0.00 -0.27 0.00 0.00 36.82 38.70 1kkg h ILE 79 CO 0.03 0.46 0.02 -0.09 -1.05 0.00 0.00 178.15 177.52 1kkg h ARG 80 N 0.38 0.84 0.02 0.16 2.43 -1.23 -0.77 114.38 116.20 1kkg h ARG 80 Ca 0.04 -0.26 -0.21 0.00 -0.81 0.00 0.00 59.98 58.74 1kkg h ARG 80 Cb 0.81 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1kkg h ARG 80 CO 0.07 0.87 -0.95 1.03 -1.51 0.00 0.00 179.97 179.48 1kkg h SER 81 N 0.70 0.29 -0.84 -3.80 0.87 -0.87 -1.93 113.55 107.98 1kkg h SER 81 Ca 0.14 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1kkg h SER 81 Cb 0.48 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 1kkg h SER 81 CO 0.02 1.09 0.41 0.25 -0.53 0.00 0.00 176.83 178.07 1kkg h LEU 82 N 0.11 1.09 0.29 2.23 7.12 0.09 0.13 115.31 126.37 1kkg h LEU 82 Ca -0.06 -0.13 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 1kkg h LEU 82 Cb 1.60 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 41.45 1kkg h LEU 82 CO 0.15 0.91 -0.14 -0.07 -0.13 0.00 0.00 178.44 179.16 1kkg h LEU 83 N 1.19 -0.33 -0.82 2.25 3.38 -1.12 0.75 115.31 120.60 1kkg h LEU 83 Ca 0.29 -0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.27 1kkg h LEU 83 Cb 0.10 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 1kkg h LEU 83 CO -0.04 0.14 0.26 1.23 0.09 0.00 0.00 178.44 180.12 1kkg h GLY 84 N -0.95 1.26 1.16 0.83 0.00 -1.25 1.61 103.07 105.73 1kkg h GLY 84 Ca -0.04 -0.08 -0.26 0.00 0.00 0.00 0.00 47.33 46.95 1kkg h GLY 84 CO 0.07 -0.25 -1.05 0.50 0.00 0.00 0.00 176.54 175.81 1kkg h LYS 85 N 0.31 0.65 -0.04 4.80 1.57 -0.77 1.70 116.57 124.79 1kkg h LYS 85 Ca 0.49 -0.74 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1kkg h LYS 85 Cb 0.90 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1kkg h LYS 85 CO -0.55 1.32 -0.05 0.00 -0.57 0.00 0.00 179.45 179.60 1kkg h ALA 86 N 0.35 1.85 0.00 3.86 0.00 0.30 -2.17 119.26 123.45 1kkg h ALA 86 Ca -0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1kkg h ALA 86 Cb 1.71 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1kkg h ALA 86 CO 0.20 0.12 -0.10 -1.33 0.00 0.00 0.00 179.25 178.14 1kkg n MET 87 N -4.45 1.25 -1.10 0.00 2.81 0.53 -5.03 117.12 111.12 1kkg n MET 87 Ca -0.02 -2.60 -0.03 0.00 -1.81 0.00 0.00 57.70 53.24 1kkg n MET 87 Cb 0.15 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1kkg n MET 87 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1kkg n ARG 88 N -1.31 -0.15 -4.62 0.03 1.74 0.55 -4.92 116.66 107.98 1kkg n ARG 88 Ca 0.16 0.15 -0.31 0.00 -0.77 0.00 0.00 57.85 57.07 1kkg n ARG 88 Cb 0.65 -0.20 -0.07 0.00 -1.02 0.00 0.00 32.46 31.83 1kkg n ARG 88 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1kkg n LEU 89 N 0.29 0.00 0.00 0.55 -0.00 0.63 -4.99 117.00 113.48 1kkg n LEU 89 Ca -0.01 -3.16 0.00 0.00 -0.00 0.00 0.00 56.01 52.85 1kkg n LEU 89 Cb 0.08 0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1kkg n LEU 89 CO 0.04 -0.45 -0.26 -2.11 -0.00 0.00 0.00 177.39 174.61 1kkg n ARG 90 N -1.21 0.00 -0.64 1.47 1.85 -1.26 -4.74 116.66 112.13 1kkg n ARG 90 Ca -0.19 0.00 0.50 0.00 -1.00 0.00 0.00 57.85 57.16 1kkg n ARG 90 Cb 0.63 -0.74 0.78 0.00 -1.05 0.00 0.00 32.46 32.09 1kkg n ARG 90 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 177.63 176.78 1kkg h ILE 91 N 0.00 0.01 -7.20 8.89 3.07 -1.97 -3.43 117.51 116.88 1kkg h ILE 91 Ca 0.00 -0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.30 1kkg h ILE 91 Cb 0.52 0.00 -0.00 0.00 -0.27 0.00 0.00 36.82 37.07 1kkg h ILE 91 CO 0.00 0.00 -0.19 0.52 -1.05 0.00 0.00 178.15 177.43 1kkg n VAL 92 N -4.19 -0.48 -1.97 0.16 0.31 -1.26 -4.79 118.33 106.12 1kkg n VAL 92 Ca 0.43 -0.10 -0.32 0.00 -0.01 0.00 0.00 64.34 64.34 1kkg n VAL 92 Cb 1.89 -0.41 0.02 0.00 -0.91 0.00 0.00 33.84 34.42 1kkg n VAL 92 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1kkg s PRO 93 N -5.22 3.29 -0.60 5.55 0.04 -1.26 -4.87 135.00 131.93 1kkg s PRO 93 Ca 0.08 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 1kkg s PRO 93 Cb -0.05 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1kkg s PRO 93 CO 0.18 -0.83 1.79 -1.91 0.04 0.00 0.00 177.00 176.27 1kkg n GLU 94 N -2.24 1.30 -2.00 4.56 2.13 -0.63 -4.51 120.64 119.25 1kkg n GLU 94 Ca 0.08 -1.35 -0.27 0.00 0.66 0.00 0.00 57.16 56.29 1kkg n GLU 94 Cb 0.53 -2.51 -0.05 0.00 0.27 0.00 0.00 31.44 29.68 1kkg n GLU 94 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1kkg s LEU 95 N 0.39 3.16 1.13 4.31 0.05 -1.23 -1.73 118.68 124.75 1kkg s LEU 95 Ca 0.41 -0.46 -0.14 0.00 0.05 0.00 0.00 54.13 53.98 1kkg s LEU 95 Cb 0.10 -2.55 0.26 0.00 -2.05 0.00 0.00 46.19 41.94 1kkg s LEU 95 CO 0.06 -2.80 1.06 0.28 -0.55 0.00 0.00 176.35 174.40 1kkg s THR 96 N 10.39 1.87 -0.23 5.48 -1.32 0.14 -4.76 115.64 127.22 1kkg s THR 96 Ca 0.72 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.20 1kkg s THR 96 Cb -0.08 -2.32 0.06 0.00 -1.51 0.00 0.00 72.50 68.65 1kkg s THR 96 CO 0.03 0.00 -0.04 0.12 -2.21 0.00 0.00 174.62 172.52 1kkg s PHE 97 N -2.76 2.16 -0.40 9.09 5.36 -1.26 -1.47 117.98 128.71 1kkg s PHE 97 Ca 0.68 -1.61 -0.20 0.00 -0.96 0.00 0.00 56.93 54.84 1kkg s PHE 97 Cb -0.19 -1.49 0.01 0.00 -0.34 0.00 0.00 43.02 41.01 1kkg s PHE 97 CO 0.60 -0.75 0.60 -0.06 -1.46 0.00 0.00 175.22 174.15 1kkg s PHE 98 N 1.47 3.12 -0.69 10.12 0.08 0.13 -4.99 117.98 127.23 1kkg s PHE 98 Ca -0.05 0.08 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 1kkg s PHE 98 Cb -0.19 -3.18 0.17 0.00 -0.57 0.00 0.00 43.02 39.25 1kkg s PHE 98 CO -0.07 -0.73 0.65 0.71 -0.10 0.00 0.00 175.22 175.69 1kkg s TYR 99 N 2.67 3.47 -0.81 0.36 2.02 -1.25 0.80 117.35 124.61 1kkg s TYR 99 Ca 0.22 -1.60 -0.10 0.00 -0.37 0.00 0.00 57.07 55.22 1kkg s TYR 99 Cb -0.15 -3.84 0.21 0.00 -0.40 0.00 0.00 41.96 37.79 1kkg s TYR 99 CO 0.16 -1.04 0.72 0.34 -1.57 0.00 0.00 175.55 174.17 1kkg s ASP 100 N 2.94 6.38 0.52 2.29 -1.08 0.96 -5.00 116.67 123.68 1kkg s ASP 100 Ca 0.11 -2.90 -0.00 0.00 -0.52 0.00 0.00 52.55 49.24 1kkg s ASP 100 Cb -0.20 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1kkg s ASP 100 CO -0.03 -0.46 0.01 0.59 0.52 0.00 0.00 175.17 175.79 1kkg n ASN 101 N 3.60 0.01 -0.84 -0.34 5.03 -1.26 -3.57 115.26 117.88 1kkg n ASN 101 Ca 0.14 -1.00 0.04 0.00 0.87 0.00 0.00 54.58 54.62 1kkg n ASN 101 Cb 0.43 -0.00 0.15 0.00 -1.02 0.00 0.00 39.78 39.34 1kkg n ASN 101 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1kkg n SER 102 N -3.00 2.36 -0.92 6.41 3.41 -1.18 -3.48 113.62 117.22 1kkg n SER 102 Ca 0.00 -2.21 0.11 0.00 -0.26 0.00 0.00 58.87 56.52 1kkg n SER 102 Cb 0.00 -0.40 0.27 0.00 -0.26 0.00 0.00 64.21 63.82 1kkg n SER 102 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1kkg n LEU 103 N 0.33 2.77 0.00 1.04 7.94 -1.26 -0.57 117.00 127.25 1kkg n LEU 103 Ca 0.11 -1.18 0.00 0.00 -1.11 0.00 0.00 56.01 53.83 1kkg n LEU 103 Cb 0.47 -0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.22 1kkg n LEU 103 CO 0.11 0.59 0.22 0.52 -1.11 0.00 0.00 177.39 177.71 1kkg n VAL 104 N 1.05 0.13 0.00 1.96 0.31 -1.23 -4.87 118.33 115.68 1kkg n VAL 104 Ca 0.18 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1kkg n VAL 104 Cb 0.50 1.19 0.00 0.00 -0.91 0.00 0.00 33.84 34.62 1kkg n VAL 104 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kkg n GLU 105 N -0.07 0.00 0.00 5.55 1.02 -1.25 -5.02 120.64 120.87 1kkg n GLU 105 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1kkg n GLU 105 Cb 0.37 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1kkg n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kkg n GLY 106 N -0.58 2.93 1.20 0.62 0.00 0.26 -4.65 105.19 104.97 1kkg n GLY 106 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1kkg n GLY 106 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1kkg n MET 107 N 0.00 0.16 0.00 1.61 -0.00 -1.26 -4.76 117.12 112.87 1kkg n MET 107 Ca 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 57.70 55.78 1kkg n MET 107 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 33.22 32.95 1kkg n MET 107 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86