#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nck s ILE 3 N 0.00 2.61 0.25 0.00 -1.09 -1.26 -1.05 121.20 120.66 2nck s ILE 3 Ca 0.00 0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.72 2nck s ILE 3 Cb 0.00 -3.18 -0.05 0.00 -1.58 0.00 0.00 42.46 37.64 2nck s ILE 3 CO 0.00 0.01 0.08 -1.61 -1.23 0.00 0.00 174.94 172.19 2nck s GLU 4 N 1.95 1.39 -0.04 2.79 2.02 -0.22 -4.90 118.70 121.69 2nck s GLU 4 Ca 0.75 -1.75 0.04 0.00 0.02 0.00 0.00 54.97 54.03 2nck s GLU 4 Cb -0.44 -0.30 -0.00 0.00 0.10 0.00 0.00 34.13 33.49 2nck s GLU 4 CO 0.33 -0.27 -0.16 1.03 0.02 0.00 0.00 175.26 176.21 2nck s ARG 5 N -4.01 1.62 0.11 1.61 0.52 -1.26 -1.44 118.95 116.10 2nck s ARG 5 Ca 0.36 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 2nck s ARG 5 Cb 0.08 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.07 2nck s ARG 5 CO 0.13 0.24 -0.03 -0.08 0.02 0.00 0.00 175.30 175.57 2nck s THR 6 N 0.02 0.55 -0.10 0.02 -1.32 -0.16 -4.78 115.64 109.87 2nck s THR 6 Ca -0.03 -1.92 -0.11 0.00 -1.21 0.00 0.00 61.69 58.42 2nck s THR 6 Cb -0.11 -1.77 -0.05 0.00 -1.51 0.00 0.00 72.50 69.06 2nck s THR 6 CO 0.02 -0.78 0.26 -0.22 -2.21 0.00 0.00 174.62 171.69 2nck s LEU 7 N -3.05 4.37 -0.02 9.08 2.96 -1.26 -0.78 118.68 129.98 2nck s LEU 7 Ca 0.15 0.62 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 2nck s LEU 7 Cb 0.06 -2.31 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 2nck s LEU 7 CO -0.03 0.29 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.59 2nck s SER 8 N -0.59 1.82 -0.07 3.68 0.15 0.52 -2.00 113.70 117.21 2nck s SER 8 Ca 0.18 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.55 2nck s SER 8 Cb -0.14 -0.32 0.02 0.00 -1.71 0.00 0.00 66.02 63.87 2nck s SER 8 CO 0.07 0.16 -0.09 -0.63 1.20 0.00 0.00 173.24 173.95 2nck s ILE 9 N -0.18 0.97 -0.46 6.45 1.01 -0.67 -0.21 121.20 128.12 2nck s ILE 9 Ca 0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.10 2nck s ILE 9 Cb -0.08 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.48 2nck s ILE 9 CO 0.00 0.33 0.75 -0.63 0.00 0.00 0.00 174.94 175.39 2nck s ILE 10 N 1.03 4.69 1.00 2.92 1.01 0.33 -1.19 121.20 130.99 2nck s ILE 10 Ca -0.08 0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 2nck s ILE 10 Cb -0.15 -4.31 0.19 0.00 0.01 0.00 0.00 42.46 38.21 2nck s ILE 10 CO -0.00 -0.73 1.10 -0.54 0.00 0.00 0.00 174.94 174.77 2nck s LYS 11 N 3.17 0.36 0.35 2.79 1.02 0.12 -2.03 119.74 125.51 2nck s LYS 11 Ca 0.27 1.27 0.14 0.00 0.02 0.00 0.00 55.97 57.67 2nck s LYS 11 Cb -0.13 -1.67 1.05 0.00 -0.52 0.00 0.00 37.83 36.56 2nck s LYS 11 CO 0.21 -2.99 1.69 -1.35 -0.92 0.00 0.00 175.35 171.99 2nck h PRO 12 N -2.12 0.38 -0.04 -1.68 0.11 -1.86 -0.40 132.00 126.40 2nck h PRO 12 Ca -0.50 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 2nck h PRO 12 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2nck h PRO 12 CO 0.45 0.25 -0.31 0.38 -0.21 0.00 0.00 178.00 178.57 2nck h ASP 13 N 0.39 0.07 -0.70 -2.05 2.03 -1.90 -2.11 116.42 112.15 2nck h ASP 13 Ca 0.70 -0.02 -0.06 0.00 -0.73 0.00 0.00 57.03 56.92 2nck h ASP 13 Cb 1.58 -0.02 -0.03 0.00 -0.83 0.00 0.00 39.33 40.03 2nck h ASP 13 CO -0.53 0.38 0.20 1.23 -1.03 0.00 0.00 179.24 179.49 2nck h GLY 14 N 0.98 1.19 0.73 7.15 0.00 -1.30 -0.87 103.07 110.95 2nck h GLY 14 Ca 0.01 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 2nck h GLY 14 CO 0.04 0.67 -0.19 1.41 0.00 0.00 0.00 176.54 178.48 2nck h LEU 15 N 1.06 0.39 -1.73 3.11 4.07 -1.52 -2.80 115.31 117.90 2nck h LEU 15 Ca 0.23 -0.52 0.07 0.00 0.08 0.00 0.00 57.88 57.74 2nck h LEU 15 Cb 0.33 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 2nck h LEU 15 CO -0.00 0.83 0.32 -0.33 -1.08 0.00 0.00 178.44 178.18 2nck h GLU 16 N -0.04 0.32 -0.00 1.13 5.08 -1.18 0.47 114.58 120.36 2nck h GLU 16 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2nck h GLU 16 Cb 0.75 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2nck h GLU 16 CO 0.04 0.21 -0.07 1.63 -1.00 0.00 0.00 179.01 179.83 2nck n LYS 17 N -4.47 0.24 -3.20 2.33 5.02 -0.35 -4.94 118.16 112.79 2nck n LYS 17 Ca 0.07 -0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 2nck n LYS 17 Cb 0.30 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.87 2nck n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nck n GLY 18 N 1.40 -0.17 0.51 0.72 0.00 0.16 -4.94 105.19 102.86 2nck n GLY 18 Ca 0.10 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2nck n GLY 18 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2nck n VAL 19 N -4.32 2.11 -0.09 1.61 0.24 -1.07 -4.77 118.33 112.04 2nck n VAL 19 Ca -0.01 -3.02 -0.07 0.00 -2.04 0.00 0.00 64.34 59.20 2nck n VAL 19 Cb 0.55 -0.22 0.01 0.00 -1.47 0.00 0.00 33.84 32.71 2nck n VAL 19 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2nck h ILE 20 N 0.91 0.86 -0.66 1.34 2.04 -1.90 -1.51 117.51 118.58 2nck h ILE 20 Ca -0.00 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2nck h ILE 20 Cb 1.01 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2nck h ILE 20 CO 0.00 0.04 0.27 1.23 0.00 0.00 0.00 178.15 179.68 2nck h GLY 21 N 0.19 1.05 1.00 5.37 0.00 -1.96 -1.33 103.07 107.40 2nck h GLY 21 Ca 0.15 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2nck h GLY 21 CO -0.19 0.54 0.41 0.50 0.00 0.00 0.00 176.54 177.80 2nck h LYS 22 N 0.92 0.96 -0.03 4.80 1.57 -1.82 0.39 116.57 123.37 2nck h LYS 22 Ca 0.22 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2nck h LYS 22 Cb 0.20 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2nck h LYS 22 CO -0.02 0.69 0.00 0.82 -0.57 0.00 0.00 179.45 180.37 2nck h ILE 23 N 0.96 1.22 -0.63 1.86 2.04 -1.06 -1.87 117.51 120.03 2nck h ILE 23 Ca 0.25 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.50 2nck h ILE 23 Cb -0.02 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 2nck h ILE 23 CO -0.05 0.17 0.37 0.40 0.00 0.00 0.00 178.15 179.04 2nck h ILE 24 N -0.22 1.02 -0.38 -0.67 2.04 -1.06 -1.45 117.51 116.79 2nck h ILE 24 Ca 0.01 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.63 2nck h ILE 24 Cb 0.28 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2nck h ILE 24 CO 0.00 0.13 0.25 0.28 0.00 0.00 0.00 178.15 178.81 2nck h SER 25 N 0.70 0.43 -0.91 1.72 0.02 -0.80 -1.04 113.55 113.66 2nck h SER 25 Ca 0.27 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2nck h SER 25 Cb 0.10 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 2nck h SER 25 CO -0.14 0.31 0.60 -0.09 -1.14 0.00 0.00 176.83 176.37 2nck h ARG 26 N 0.50 1.19 -0.01 3.45 9.65 -0.41 0.11 114.38 128.86 2nck h ARG 26 Ca 0.14 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2nck h ARG 26 Cb -0.04 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.28 2nck h ARG 26 CO -0.03 0.79 -0.05 0.74 2.80 0.00 0.00 179.97 184.22 2nck h PHE 27 N 1.22 0.07 -0.62 2.20 0.04 -1.04 -3.19 116.94 115.62 2nck h PHE 27 Ca 0.34 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 61.14 2nck h PHE 27 Cb -0.13 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 37.96 2nck h PHE 27 CO -0.01 0.72 0.32 0.93 -0.60 0.00 0.00 178.31 179.67 2nck h GLU 28 N -0.60 0.59 0.00 1.51 5.08 -1.07 -0.27 114.58 119.81 2nck h GLU 28 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2nck h GLU 28 Cb 0.72 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2nck h GLU 28 CO 0.01 0.39 0.00 0.39 -1.00 0.00 0.00 179.01 178.80 2nck n GLU 29 N -4.84 0.16 -0.37 2.33 1.02 0.01 -1.96 120.64 117.00 2nck n GLU 29 Ca 0.07 0.45 0.08 0.00 -0.02 0.00 0.00 57.16 57.74 2nck n GLU 29 Cb 0.18 -1.85 0.24 0.00 -0.02 0.00 0.00 31.44 29.99 2nck n GLU 29 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nck n LYS 30 N -2.16 3.10 -0.78 3.49 5.02 -0.35 -4.96 118.16 121.51 2nck n LYS 30 Ca 0.01 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.80 2nck n LYS 30 Cb 0.18 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2nck n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nck n GLY 31 N 0.44 0.61 3.40 0.72 0.00 -0.83 -5.02 105.19 104.53 2nck n GLY 31 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2nck n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nck s LEU 32 N 0.00 5.41 -0.16 0.99 1.43 -0.26 -4.54 118.68 121.56 2nck s LEU 32 Ca 0.00 -1.21 -0.28 0.00 -1.03 0.00 0.00 54.13 51.62 2nck s LEU 32 Cb 0.00 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2nck s LEU 32 CO 0.00 -0.75 0.94 -0.75 0.23 0.00 0.00 176.35 176.02 2nck s LYS 33 N 2.02 4.34 -0.43 1.70 2.20 0.32 -3.18 119.74 126.70 2nck s LYS 33 Ca 0.08 1.23 -0.29 0.00 -0.36 0.00 0.00 55.97 56.64 2nck s LYS 33 Cb -0.23 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 32.53 2nck s LYS 33 CO 0.08 -0.39 1.34 -2.14 -0.36 0.00 0.00 175.35 173.88 2nck s PRO 34 N 2.33 3.61 0.00 4.03 0.02 -1.26 -0.16 135.00 143.57 2nck s PRO 34 Ca 0.43 0.83 0.20 0.00 0.02 0.00 0.00 61.00 62.48 2nck s PRO 34 Cb -0.17 -4.00 0.15 0.00 0.02 0.00 0.00 34.50 30.51 2nck s PRO 34 CO 0.13 -1.52 1.13 1.33 -0.33 0.00 0.00 177.00 177.74 2nck n VAL 35 N 7.03 0.00 -3.64 3.83 0.24 0.16 -4.93 118.33 121.02 2nck n VAL 35 Ca 0.15 -0.49 -0.10 0.00 -2.04 0.00 0.00 64.34 61.87 2nck n VAL 35 Cb 0.48 1.41 -0.07 0.00 -1.47 0.00 0.00 33.84 34.19 2nck n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nck s ALA 36 N -1.72 -1.87 -0.12 2.33 0.00 -1.21 0.05 121.76 119.22 2nck s ALA 36 Ca 0.23 2.22 -0.09 0.00 0.00 0.00 0.00 51.96 54.33 2nck s ALA 36 Cb 0.17 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.98 2nck s ALA 36 CO 0.27 -0.35 0.30 0.42 0.00 0.00 0.00 175.76 176.40 2nck s ILE 37 N 1.03 -0.01 -0.25 0.00 1.01 -1.26 -1.34 121.20 120.37 2nck s ILE 37 Ca -0.05 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 2nck s ILE 37 Cb -0.05 -0.44 0.10 0.00 0.01 0.00 0.00 42.46 42.08 2nck s ILE 37 CO -0.10 0.02 0.56 -0.60 0.00 0.00 0.00 174.94 174.82 2nck s ARG 38 N 0.61 0.51 0.02 2.79 3.52 -0.11 -4.99 118.95 121.31 2nck s ARG 38 Ca -0.04 1.20 -0.27 0.00 -0.13 0.00 0.00 55.73 56.49 2nck s ARG 38 Cb -0.05 0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 33.74 2nck s ARG 38 CO -0.04 -0.20 0.87 -1.17 -0.81 0.00 0.00 175.30 173.95 2nck s LEU 39 N 2.33 4.40 0.01 -0.88 0.20 -1.26 -0.79 118.68 122.69 2nck s LEU 39 Ca -0.06 1.54 -0.16 0.00 0.69 0.00 0.00 54.13 56.13 2nck s LEU 39 Cb -0.10 -3.39 0.03 0.00 -0.43 0.00 0.00 46.19 42.30 2nck s LEU 39 CO -0.17 -0.12 0.36 -1.58 -0.29 0.00 0.00 176.35 174.55 2nck s GLN 40 N 0.51 0.79 -0.31 1.98 0.74 0.06 -4.97 119.66 118.46 2nck s GLN 40 Ca 0.45 -0.28 -0.06 0.00 0.05 0.00 0.00 55.36 55.51 2nck s GLN 40 Cb -0.21 0.35 0.02 0.00 1.10 0.00 0.00 33.01 34.28 2nck s GLN 40 CO 0.25 -0.24 0.07 -1.58 -0.55 0.00 0.00 175.29 173.24 2nck s HIS 41 N -1.91 3.19 0.39 1.67 5.65 -1.26 -0.05 115.29 122.97 2nck s HIS 41 Ca -0.09 -1.25 -0.25 0.00 0.25 0.00 0.00 55.06 53.73 2nck s HIS 41 Cb -0.03 -2.24 -0.09 0.00 -1.18 0.00 0.00 32.58 29.05 2nck s HIS 41 CO 0.01 -0.66 1.07 -0.51 -0.65 0.00 0.00 174.74 174.00 2nck s LEU 42 N 1.43 4.18 0.54 8.88 1.43 -1.26 -5.03 118.68 128.85 2nck s LEU 42 Ca 0.00 2.10 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 2nck s LEU 42 Cb -0.18 -4.12 0.02 0.00 0.03 0.00 0.00 46.19 41.94 2nck s LEU 42 CO 0.02 -0.50 0.79 -0.94 0.23 0.00 0.00 176.35 175.95 2nck s SER 43 N -1.45 5.44 0.23 2.29 1.04 -1.26 -4.68 113.70 115.31 2nck s SER 43 Ca 0.57 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 57.18 2nck s SER 43 Cb -0.24 -1.23 0.22 0.00 0.10 0.00 0.00 66.02 64.86 2nck s SER 43 CO 0.30 -1.05 1.87 -0.61 0.98 0.00 0.00 173.24 174.73 2nck h GLN 44 N 0.06 1.27 -0.57 4.02 4.15 -1.96 -1.44 115.11 120.65 2nck h GLN 44 Ca -0.44 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 58.79 2nck h GLN 44 Cb 1.28 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 28.69 2nck h GLN 44 CO 0.56 0.92 0.14 0.00 -1.93 0.00 0.00 178.83 178.52 2nck h ALA 45 N 1.28 1.18 -0.36 3.38 0.00 -1.99 0.39 119.26 123.14 2nck h ALA 45 Ca 0.33 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2nck h ALA 45 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2nck h ALA 45 CO -0.05 0.56 -0.13 1.96 0.00 0.00 0.00 179.25 181.59 2nck h GLN 46 N 0.84 0.73 -0.38 0.00 4.20 -1.78 -0.88 115.11 117.84 2nck h GLN 46 Ca 0.18 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 2nck h GLN 46 Cb 0.30 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2nck h GLN 46 CO -0.00 0.90 -0.01 0.00 -0.67 0.00 0.00 178.83 179.05 2nck h ALA 47 N 0.81 0.52 -0.39 3.87 0.00 -0.97 -0.71 119.26 122.38 2nck h ALA 47 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2nck h ALA 47 Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2nck h ALA 47 CO 0.04 0.30 0.15 0.93 0.00 0.00 0.00 179.25 180.67 2nck h GLU 48 N 0.50 0.59 -0.80 0.00 5.08 -0.90 -1.45 114.58 117.60 2nck h GLU 48 Ca 0.11 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2nck h GLU 48 Cb 0.48 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2nck h GLU 48 CO 0.02 0.57 0.35 0.78 -1.00 0.00 0.00 179.01 179.73 2nck h GLY 49 N 0.49 1.27 0.99 -3.84 0.00 -1.05 -1.78 103.07 99.15 2nck h GLY 49 Ca 0.13 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 2nck h GLY 49 CO -0.01 0.62 0.24 -2.75 0.00 0.00 0.00 176.54 174.64 2nck h PHE 50 N 1.15 0.90 -0.58 5.60 3.57 -0.80 -2.89 116.94 123.89 2nck h PHE 50 Ca 0.27 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 2nck h PHE 50 Cb 0.17 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 2nck h PHE 50 CO 0.02 0.72 0.13 0.66 -2.23 0.00 0.00 178.31 177.61 2nck n TYR 51 N -4.47 1.99 -0.31 0.41 4.01 -0.57 -4.66 117.16 113.55 2nck n TYR 51 Ca 0.03 -0.86 0.17 0.00 -0.16 0.00 0.00 57.90 57.08 2nck n TYR 51 Cb 0.16 -0.55 0.36 0.00 -0.31 0.00 0.00 39.34 39.00 2nck n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2nck h ALA 52 N 3.13 1.53 0.00 -0.72 0.00 -1.10 0.36 119.26 122.46 2nck h ALA 52 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2nck h ALA 52 Cb 1.97 0.25 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2nck h ALA 52 CO 0.55 -0.49 0.00 1.55 0.00 0.00 0.00 179.25 180.85 2nck n VAL 53 N -5.15 1.20 -0.02 0.00 3.14 -1.26 -1.00 118.33 115.24 2nck n VAL 53 Ca 0.25 0.62 0.08 0.00 -2.96 0.00 0.00 64.34 62.34 2nck n VAL 53 Cb 0.79 -1.61 0.18 0.00 -1.06 0.00 0.00 33.84 32.14 2nck n VAL 53 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2nck n HIS 54 N -2.09 0.50 -0.28 1.45 -0.00 0.13 -4.69 115.22 110.23 2nck n HIS 54 Ca -0.01 -0.37 0.28 0.00 -0.00 0.00 0.00 57.72 57.62 2nck n HIS 54 Cb 0.05 -0.01 0.65 0.00 -0.00 0.00 0.00 29.99 30.68 2nck n HIS 54 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 2nck h LYS 55 N 2.97 0.15 0.00 -0.41 2.10 -1.07 0.59 116.57 120.91 2nck h LYS 55 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2nck h LYS 55 Cb 0.79 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2nck h LYS 55 CO 0.00 0.10 -0.74 0.00 -2.00 0.00 0.00 179.45 176.82 2nck h ALA 56 N 1.53 0.52 -2.75 0.07 0.00 -1.83 -3.48 119.26 113.32 2nck h ALA 56 Ca 0.53 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.94 2nck h ALA 56 Cb 1.80 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.62 2nck h ALA 56 CO -0.11 0.00 0.49 1.03 0.00 0.00 0.00 179.25 180.66 2nck s ARG 57 N -3.20 4.40 0.53 0.00 0.52 0.20 -4.95 118.95 116.46 2nck s ARG 57 Ca 0.05 1.81 0.24 0.00 -0.52 0.00 0.00 55.73 57.31 2nck s ARG 57 Cb 0.13 -2.96 1.40 0.00 0.52 0.00 0.00 34.95 34.04 2nck s ARG 57 CO 0.74 -0.01 2.03 -1.00 0.02 0.00 0.00 175.30 177.09 2nck h PRO 58 N 3.29 0.00 -0.00 3.54 0.13 -1.91 -2.45 132.00 134.60 2nck h PRO 58 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2nck h PRO 58 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2nck h PRO 58 CO 0.65 0.00 -0.15 1.97 -0.23 0.00 0.00 178.00 180.24 2nck n PHE 59 N -4.35 0.00 -0.11 1.56 1.16 -1.26 -4.45 117.46 110.01 2nck n PHE 59 Ca 0.06 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.54 2nck n PHE 59 Cb 0.48 -0.37 -0.07 0.00 -1.61 0.00 0.00 39.48 37.91 2nck n PHE 59 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2nck h PHE 60 N 0.09 -1.29 -0.71 2.97 3.57 -1.67 -0.35 116.94 119.55 2nck h PHE 60 Ca 0.00 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.71 2nck h PHE 60 Cb 0.46 0.60 -0.10 0.00 2.79 0.00 0.00 35.95 39.70 2nck h PHE 60 CO 0.00 -0.37 0.17 0.87 -2.23 0.00 0.00 178.31 176.75 2nck h LYS 61 N -0.29 0.27 -0.24 1.11 1.57 -1.82 -0.61 116.57 116.55 2nck h LYS 61 Ca 0.06 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2nck h LYS 61 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2nck h LYS 61 CO -0.46 0.18 0.03 -0.44 -0.57 0.00 0.00 179.45 178.19 2nck h ASP 62 N 0.27 0.39 -0.50 0.86 3.32 -1.75 -2.03 116.42 116.98 2nck h ASP 62 Ca 0.39 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.25 2nck h ASP 62 Cb 0.65 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 2nck h ASP 62 CO -0.48 0.56 0.15 0.25 -1.72 0.00 0.00 179.24 177.99 2nck h LEU 63 N 0.20 0.11 -0.24 1.55 5.85 -0.15 0.22 115.31 122.86 2nck h LEU 63 Ca 0.07 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2nck h LEU 63 Cb 0.34 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2nck h LEU 63 CO 0.01 0.09 0.16 0.58 -0.34 0.00 0.00 178.44 178.93 2nck h VAL 64 N 0.31 1.07 -0.64 1.05 2.07 -1.05 0.20 116.25 119.26 2nck h VAL 64 Ca 0.24 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 2nck h VAL 64 Cb 0.29 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2nck h VAL 64 CO -0.28 0.06 0.31 1.56 0.02 0.00 0.00 177.57 179.25 2nck h GLN 65 N 0.32 0.92 -0.37 1.57 1.08 -0.64 -2.37 115.11 115.63 2nck h GLN 65 Ca 0.09 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 2nck h GLN 65 Cb -0.03 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 2nck h GLN 65 CO -0.02 0.73 0.04 0.35 -0.95 0.00 0.00 178.83 178.98 2nck h PHE 66 N 0.88 0.67 0.00 2.96 3.57 -0.78 -2.32 116.94 121.92 2nck h PHE 66 Ca 0.22 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2nck h PHE 66 Cb 0.11 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2nck h PHE 66 CO 0.00 0.69 0.00 0.52 -2.23 0.00 0.00 178.31 177.29 2nck h MET 67 N 0.45 0.00 -0.17 1.11 2.86 -0.70 -2.27 114.93 116.22 2nck h MET 67 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2nck h MET 67 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2nck h MET 67 CO 0.01 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.42 2nck n ILE 68 N -2.84 0.42 0.28 -1.22 -5.35 -0.91 -4.55 119.36 105.19 2nck n ILE 68 Ca -0.01 -0.71 0.18 0.00 -0.27 0.00 0.00 62.75 61.94 2nck n ILE 68 Cb 0.16 0.93 0.76 0.00 -1.74 0.00 0.00 39.64 39.75 2nck n ILE 68 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2nck h SER 69 N 2.29 0.00 -5.24 7.28 4.64 -0.83 -3.46 113.55 118.23 2nck h SER 69 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 2nck h SER 69 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2nck h SER 69 CO 0.00 0.01 0.46 -0.83 -0.87 0.00 0.00 176.83 175.60 2nck s GLY 70 N -4.18 0.24 0.72 -0.77 0.00 -1.26 -5.13 107.32 96.95 2nck s GLY 70 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 2nck s GLY 70 CO 0.53 1.36 1.07 2.56 0.00 0.00 0.00 173.10 178.62 2nck s PRO 71 N -2.16 2.68 0.22 2.90 0.04 -1.26 -4.59 135.00 132.83 2nck s PRO 71 Ca 0.20 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.34 2nck s PRO 71 Cb -0.04 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2nck s PRO 71 CO 0.08 -1.31 -0.03 0.14 0.04 0.00 0.00 177.00 175.93 2nck s VAL 72 N -2.94 1.14 -0.26 -0.36 -7.23 0.92 -4.00 120.40 107.66 2nck s VAL 72 Ca 0.60 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.68 2nck s VAL 72 Cb -0.16 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.52 2nck s VAL 72 CO 0.54 -0.38 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.25 2nck s VAL 73 N -3.35 3.28 0.01 1.32 1.01 -0.86 -0.76 120.40 121.05 2nck s VAL 73 Ca 0.27 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2nck s VAL 73 Cb 0.05 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 2nck s VAL 73 CO 0.08 0.16 0.57 -0.76 0.00 0.00 0.00 175.10 175.15 2nck s LEU 74 N 1.39 4.44 -0.01 3.92 1.43 0.03 -0.52 118.68 129.36 2nck s LEU 74 Ca 0.01 1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 54.18 2nck s LEU 74 Cb -0.17 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.18 2nck s LEU 74 CO -0.02 0.15 0.18 -0.04 0.23 0.00 0.00 176.35 176.85 2nck s MET 75 N -0.42 0.49 -0.20 1.70 -1.94 0.71 -0.93 119.30 118.71 2nck s MET 75 Ca 0.30 -0.29 -0.01 0.00 -1.71 0.00 0.00 55.69 53.97 2nck s MET 75 Cb -0.18 0.21 0.00 0.00 2.01 0.00 0.00 34.83 36.87 2nck s MET 75 CO 0.17 -0.12 -0.12 0.08 -0.01 0.00 0.00 175.02 175.02 2nck s VAL 76 N -1.22 2.76 -0.15 -6.03 1.01 -0.45 -0.36 120.40 115.97 2nck s VAL 76 Ca -0.13 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 2nck s VAL 76 Cb -0.07 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2nck s VAL 76 CO 0.02 0.48 0.07 -0.76 0.00 0.00 0.00 175.10 174.91 2nck s LEU 77 N 1.35 3.90 -0.08 3.92 1.43 0.04 -0.66 118.68 128.58 2nck s LEU 77 Ca 0.05 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 2nck s LEU 77 Cb -0.14 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 2nck s LEU 77 CO -0.07 0.26 -0.23 -0.70 0.23 0.00 0.00 176.35 175.84 2nck s GLU 78 N -0.16 2.85 0.00 1.70 2.12 0.77 -0.99 118.70 124.99 2nck s GLU 78 Ca 0.08 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2nck s GLU 78 Cb -0.12 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 32.00 2nck s GLU 78 CO 0.01 0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 2nck n GLY 79 N 3.23 0.26 3.69 -1.50 0.00 -0.52 -0.52 105.19 109.83 2nck n GLY 79 Ca -0.18 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2nck n GLY 79 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nck s GLU 80 N -2.00 4.14 -1.55 1.61 2.56 -1.26 -1.06 118.70 121.15 2nck s GLU 80 Ca 0.00 2.57 -0.15 0.00 0.00 0.00 0.00 54.97 57.39 2nck s GLU 80 Cb 0.00 -3.55 0.12 0.00 2.00 0.00 0.00 34.13 32.70 2nck s GLU 80 CO 0.00 -0.82 0.78 -1.71 -0.56 0.00 0.00 175.26 172.95 2nck n ASN 81 N 5.52 -3.94 -0.28 -1.70 5.15 -0.21 -4.79 115.26 115.00 2nck n ASN 81 Ca 0.17 -0.78 0.08 0.00 -0.60 0.00 0.00 54.58 53.46 2nck n ASN 81 Cb 0.38 -3.20 0.23 0.00 -0.53 0.00 0.00 39.78 36.66 2nck n ASN 81 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nck h ALA 82 N 0.95 1.22 -0.07 5.20 0.00 -1.70 0.81 119.26 125.66 2nck h ALA 82 Ca -0.55 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.51 2nck h ALA 82 Cb 1.36 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2nck h ALA 82 CO 0.69 -0.22 -0.08 0.28 0.00 0.00 0.00 179.25 179.92 2nck h VAL 83 N 0.48 0.78 -0.09 0.00 2.07 -1.88 0.10 116.25 117.70 2nck h VAL 83 Ca 0.47 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.87 2nck h VAL 83 Cb 0.76 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2nck h VAL 83 CO -0.43 0.00 -0.41 -0.07 0.02 0.00 0.00 177.57 176.68 2nck h LEU 84 N -0.10 0.52 -0.54 2.57 3.38 -1.82 -3.01 115.31 116.32 2nck h LEU 84 Ca 0.06 -0.64 0.07 0.00 0.09 0.00 0.00 57.88 57.46 2nck h LEU 84 Cb 0.18 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2nck h LEU 84 CO -0.14 1.07 0.21 0.00 0.09 0.00 0.00 178.44 179.68 2nck h ALA 85 N 0.46 0.67 -0.15 1.53 0.00 -0.72 -0.34 119.26 120.71 2nck h ALA 85 Ca -0.02 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2nck h ALA 85 Cb 1.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2nck h ALA 85 CO 0.09 -0.18 0.04 -0.97 0.00 0.00 0.00 179.25 178.23 2nck h ASN 86 N 0.40 0.03 -0.67 0.00 -0.00 -0.86 -1.73 115.58 112.75 2nck h ASN 86 Ca 0.26 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.57 2nck h ASN 86 Cb 0.27 0.02 -0.03 0.00 -0.00 0.00 0.00 38.32 38.57 2nck h ASN 86 CO -0.24 0.04 0.39 0.03 -0.00 0.00 0.00 177.43 177.65 2nck h ARG 87 N 0.11 0.94 -0.04 6.67 3.08 -1.27 -0.93 114.38 122.95 2nck h ARG 87 Ca 0.07 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2nck h ARG 87 Cb 0.05 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 2nck h ARG 87 CO -0.08 0.67 0.01 0.22 -1.07 0.00 0.00 179.97 179.72 2nck h ASP 88 N 0.95 0.05 -0.73 7.04 1.82 -0.63 -2.36 116.42 122.57 2nck h ASP 88 Ca 0.25 -0.20 0.01 0.00 -0.39 0.00 0.00 57.03 56.70 2nck h ASP 88 Cb -0.01 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 39.95 2nck h ASP 88 CO -0.04 0.24 0.48 0.40 -1.61 0.00 0.00 179.24 178.71 2nck h ILE 89 N -0.14 1.18 -0.28 2.25 2.04 -0.95 -2.59 117.51 119.03 2nck h ILE 89 Ca 0.01 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2nck h ILE 89 Cb 0.20 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2nck h ILE 89 CO -0.00 0.18 0.11 0.24 0.00 0.00 0.00 178.15 178.68 2nck h MET 90 N 0.98 0.42 0.00 2.37 2.86 -0.99 -0.89 114.93 119.68 2nck h MET 90 Ca 0.27 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2nck h MET 90 Cb -0.10 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.49 2nck h MET 90 CO -0.06 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.77 2nck n GLY 91 N -0.72 0.45 3.70 8.32 0.00 -0.90 -1.02 105.19 115.01 2nck n GLY 91 Ca -0.02 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 2nck n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nck n ALA 92 N 0.95 1.12 -0.14 4.61 0.00 -1.26 -4.90 120.51 120.88 2nck n ALA 92 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 2nck n ALA 92 Cb 0.00 -2.26 0.04 0.00 0.00 0.00 0.00 19.45 17.22 2nck n ALA 92 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2nck h THR 93 N 1.42 0.59 -3.55 0.00 2.02 -1.96 -3.35 112.91 108.09 2nck h THR 93 Ca -0.49 -0.02 -0.57 0.00 0.77 0.00 0.00 66.41 66.11 2nck h THR 93 Cb 1.32 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 2nck h THR 93 CO 0.56 0.01 0.88 0.21 0.37 0.00 0.00 175.52 177.56 2nck s ASN 94 N -5.23 6.75 0.47 4.18 3.84 -1.26 -4.59 114.94 119.10 2nck s ASN 94 Ca -0.14 0.70 0.17 0.00 0.21 0.00 0.00 52.86 53.80 2nck s ASN 94 Cb 0.15 -2.54 1.15 0.00 -0.55 0.00 0.00 41.25 39.46 2nck s ASN 94 CO 0.72 -1.09 2.02 -0.65 -2.79 0.00 0.00 177.10 175.30 2nck h PRO 95 N 8.75 0.23 -0.81 0.43 0.11 -1.85 -1.75 132.00 137.12 2nck h PRO 95 Ca -0.22 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.02 2nck h PRO 95 Cb 1.06 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 2nck h PRO 95 CO 1.09 0.16 0.53 0.00 -0.21 0.00 0.00 178.00 179.56 2nck h ALA 96 N 1.76 1.98 -0.27 -0.75 0.00 -1.91 -1.85 119.26 118.22 2nck h ALA 96 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2nck h ALA 96 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2nck h ALA 96 CO -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.01 2nck n GLN 97 N -4.51 2.83 -2.42 0.00 10.64 -0.69 -5.02 117.38 118.21 2nck n GLN 97 Ca 0.15 -2.34 -0.39 0.00 -1.83 0.00 0.00 57.00 52.59 2nck n GLN 97 Cb 0.49 -1.48 -0.03 0.00 -0.86 0.00 0.00 30.24 28.35 2nck n GLN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2nck s ALA 98 N -1.80 3.26 0.88 2.61 0.00 -0.70 -4.73 121.76 121.29 2nck s ALA 98 Ca 0.29 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 2nck s ALA 98 Cb 0.20 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 20.11 2nck s ALA 98 CO 0.11 -0.31 1.10 0.00 0.00 0.00 0.00 175.76 176.67 2nck s ALA 99 N -1.36 1.63 0.28 0.00 0.00 -1.26 -4.79 121.76 116.25 2nck s ALA 99 Ca 0.52 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 2nck s ALA 99 Cb -0.29 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 2nck s ALA 99 CO 0.38 -2.38 1.21 -1.21 0.00 0.00 0.00 175.76 173.76 2nck s GLU 100 N -4.80 4.49 0.00 0.00 0.41 -1.26 -2.70 118.70 114.84 2nck s GLU 100 Ca 0.64 1.99 0.00 0.00 -0.41 0.00 0.00 54.97 57.19 2nck s GLU 100 Cb -0.20 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.00 2nck s GLU 100 CO 0.58 -0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.73 2nck n GLY 101 N 1.33 1.72 3.87 -1.39 0.00 -1.26 -5.03 105.19 104.43 2nck n GLY 101 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2nck n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nck s THR 102 N -2.94 4.73 0.14 2.61 -4.23 -1.10 -4.96 115.64 109.90 2nck s THR 102 Ca 0.00 0.81 -0.16 0.00 -1.18 0.00 0.00 61.69 61.15 2nck s THR 102 Cb 0.00 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2nck s THR 102 CO 0.00 -1.12 1.77 0.40 -0.54 0.00 0.00 174.62 175.14 2nck h ILE 103 N -0.26 1.13 -0.52 2.99 2.04 -1.03 -2.51 117.51 119.34 2nck h ILE 103 Ca -0.44 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 2nck h ILE 103 Cb 1.19 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2nck h ILE 103 CO 0.62 0.13 -0.01 0.03 0.00 0.00 0.00 178.15 178.92 2nck h ARG 104 N 0.51 0.88 -0.58 2.37 3.08 -1.33 0.18 114.38 119.49 2nck h ARG 104 Ca 0.14 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 2nck h ARG 104 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2nck h ARG 104 CO -0.03 0.89 0.06 -0.22 -1.07 0.00 0.00 179.97 179.60 2nck h LYS 105 N 0.82 0.98 -0.04 0.04 3.64 -1.77 0.41 116.57 120.65 2nck h LYS 105 Ca 0.15 -0.28 -0.23 0.00 -1.27 0.00 0.00 60.65 59.02 2nck h LYS 105 Cb 0.50 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2nck h LYS 105 CO 0.02 0.95 -0.91 -0.44 -2.27 0.00 0.00 179.45 176.80 2nck h ASP 106 N 0.87 0.72 0.00 4.20 3.32 -1.17 -3.41 116.42 120.95 2nck h ASP 106 Ca 0.17 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 2nck h ASP 106 Cb 0.47 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2nck h ASP 106 CO 0.02 1.33 -1.02 0.49 -1.72 0.00 0.00 179.24 178.33 2nck n PHE 107 N -3.83 0.00 -2.22 4.55 3.72 0.60 -5.06 117.46 115.23 2nck n PHE 107 Ca -0.08 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.94 2nck n PHE 107 Cb 0.82 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.33 2nck n PHE 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nck s ALA 108 N -2.02 3.07 -0.22 4.37 0.00 0.13 -4.89 121.76 122.21 2nck s ALA 108 Ca -0.00 1.01 0.07 0.00 0.00 0.00 0.00 51.96 53.04 2nck s ALA 108 Cb 0.00 -3.40 -0.18 0.00 0.00 0.00 0.00 23.12 19.54 2nck s ALA 108 CO 0.02 -0.66 -0.11 0.25 0.00 0.00 0.00 175.76 175.26 2nck n THR 109 N -0.21 1.32 -3.99 0.00 -2.24 -1.14 -4.87 114.28 103.15 2nck n THR 109 Ca 0.06 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 2nck n THR 109 Cb 0.47 -1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 67.62 2nck n THR 109 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2nck s SER 110 N -5.91 0.12 0.26 3.42 1.04 -1.16 -4.98 113.70 106.48 2nck s SER 110 Ca -0.23 -1.05 -0.05 0.00 0.48 0.00 0.00 55.95 55.09 2nck s SER 110 Cb 0.07 0.64 0.30 0.00 0.10 0.00 0.00 66.02 67.13 2nck s SER 110 CO 0.62 -1.25 1.92 0.40 0.98 0.00 0.00 173.24 175.91 2nck h ILE 111 N 2.18 1.23 0.00 -1.02 2.04 -1.96 -2.56 117.51 117.41 2nck h ILE 111 Ca -0.27 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 2nck h ILE 111 Cb 1.25 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2nck h ILE 111 CO 0.36 0.24 -0.10 0.44 0.00 0.00 0.00 178.15 179.09 2nck h ASP 112 N 1.32 0.00 -2.35 1.72 5.19 -1.96 -3.33 116.42 117.00 2nck h ASP 112 Ca 0.38 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 56.19 2nck h ASP 112 Cb -0.10 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.00 2nck h ASP 112 CO -0.10 0.10 -0.73 0.29 -3.12 0.00 0.00 179.24 175.68 2nck n LYS 113 N -3.13 1.81 -1.21 3.56 5.02 -0.98 -4.95 118.16 118.28 2nck n LYS 113 Ca 0.03 -4.21 -0.23 0.00 -2.02 0.00 0.00 58.31 51.89 2nck n LYS 113 Cb 0.56 -2.00 0.17 0.00 -0.02 0.00 0.00 35.03 33.75 2nck n LYS 113 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2nck n ASN 114 N 1.36 3.95 0.00 4.39 0.23 -1.11 -2.88 115.26 121.21 2nck n ASN 114 Ca 0.26 -3.64 0.00 0.00 -0.53 0.00 0.00 54.58 50.67 2nck n ASN 114 Cb 0.43 -0.83 0.00 0.00 -2.08 0.00 0.00 39.78 37.30 2nck n ASN 114 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2nck n THR 115 N -1.13 0.00 -4.07 5.53 -1.04 -1.26 -4.78 114.28 107.53 2nck n THR 115 Ca 0.58 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.51 2nck n THR 115 Cb 1.55 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.95 2nck n THR 115 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2nck s VAL 116 N 0.00 0.25 0.07 12.58 -7.23 -1.26 0.12 120.40 124.92 2nck s VAL 116 Ca 0.00 -1.62 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2nck s VAL 116 Cb 0.00 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 2nck s VAL 116 CO 0.00 -0.87 -0.18 -2.28 -0.31 0.00 0.00 175.10 171.46 2nck s HIS 117 N -3.33 1.52 -0.06 2.82 2.46 -0.33 -4.90 115.29 113.47 2nck s HIS 117 Ca 0.02 -0.40 -0.07 0.00 0.47 0.00 0.00 55.06 55.08 2nck s HIS 117 Cb 0.04 -0.87 0.02 0.00 -0.13 0.00 0.00 32.58 31.63 2nck s HIS 117 CO -0.07 0.11 0.19 0.20 -2.47 0.00 0.00 174.74 172.70 2nck s GLY 118 N -1.54 -0.12 0.26 1.59 0.00 -1.26 -1.67 107.32 104.58 2nck s GLY 118 Ca 0.03 0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.90 2nck s GLY 118 CO 0.03 0.36 1.59 -0.56 0.00 0.00 0.00 173.10 174.52 2nck s SER 119 N -0.16 6.43 0.40 1.64 0.01 -0.84 -4.91 113.70 116.26 2nck s SER 119 Ca -0.03 2.86 0.25 0.00 1.31 0.00 0.00 55.95 60.35 2nck s SER 119 Cb -0.02 -2.62 0.63 0.00 0.21 0.00 0.00 66.02 64.21 2nck s SER 119 CO 0.01 -0.88 1.71 -2.24 0.41 0.00 0.00 173.24 172.24 2nck h ASP 120 N 5.40 0.00 -5.13 2.44 3.04 -1.93 -3.47 116.42 116.78 2nck h ASP 120 Ca -0.46 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.27 2nck h ASP 120 Cb 1.21 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 39.38 2nck h ASP 120 CO 0.83 0.00 -0.13 -0.94 -2.04 0.00 0.00 179.24 176.96 2nck s SER 121 N -5.66 -0.14 0.15 4.15 1.04 -1.26 -4.96 113.70 107.03 2nck s SER 121 Ca 0.07 -0.52 -0.16 0.00 0.48 0.00 0.00 55.95 55.81 2nck s SER 121 Cb 0.07 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.72 2nck s SER 121 CO 0.62 -0.90 1.77 -0.07 0.98 0.00 0.00 173.24 175.64 2nck h LEU 122 N 2.41 0.22 -0.54 2.42 3.38 -1.95 0.12 115.31 121.37 2nck h LEU 122 Ca -0.32 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2nck h LEU 122 Cb 1.24 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2nck h LEU 122 CO 0.46 0.17 0.35 -0.33 0.09 0.00 0.00 178.44 179.18 2nck h GLU 123 N 0.34 0.71 0.00 1.13 5.08 -1.99 -1.06 114.58 118.79 2nck h GLU 123 Ca 0.16 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2nck h GLU 123 Cb 0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2nck h GLU 123 CO -0.13 0.47 -0.37 -0.91 -1.00 0.00 0.00 179.01 177.07 2nck h ASN 124 N 0.73 0.00 -0.31 1.42 2.35 -1.91 -3.06 115.58 114.80 2nck h ASN 124 Ca 0.20 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2nck h ASN 124 Cb -0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2nck h ASN 124 CO -0.04 0.37 0.11 0.00 -1.65 0.00 0.00 177.43 176.22 2nck h ALA 125 N 1.63 0.40 -0.83 -0.83 0.00 0.46 0.76 119.26 120.84 2nck h ALA 125 Ca -0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2nck h ALA 125 Cb 0.83 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2nck h ALA 125 CO 0.05 0.03 0.55 0.87 0.00 0.00 0.00 179.25 180.74 2nck h LYS 126 N 0.34 1.02 -0.12 0.00 6.56 -1.19 -0.01 116.57 123.18 2nck h LYS 126 Ca 0.10 -0.06 -0.12 0.00 -1.06 0.00 0.00 60.65 59.51 2nck h LYS 126 Cb 0.22 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2nck h LYS 126 CO -0.01 0.67 -0.41 0.82 -2.06 0.00 0.00 179.45 178.47 2nck h ILE 127 N 1.05 1.37 -0.63 1.86 2.04 -1.36 -2.50 117.51 119.35 2nck h ILE 127 Ca 0.32 -1.73 -0.05 0.00 1.00 0.00 0.00 64.86 64.40 2nck h ILE 127 Cb -0.01 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 2nck h ILE 127 CO -0.09 0.51 0.17 -0.33 0.00 0.00 0.00 178.15 178.42 2nck h GLU 128 N 0.07 0.97 -0.03 2.37 5.08 -0.50 -1.43 114.58 121.12 2nck h GLU 128 Ca -0.02 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2nck h GLU 128 Cb 1.04 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2nck h GLU 128 CO 0.09 0.85 0.00 0.82 -1.00 0.00 0.00 179.01 179.77 2nck h ILE 129 N 0.94 1.23 0.00 3.13 2.04 -1.04 -2.91 117.51 120.89 2nck h ILE 129 Ca 0.20 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 2nck h ILE 129 Cb 0.30 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2nck h ILE 129 CO -0.00 0.18 -0.10 0.00 0.00 0.00 0.00 178.15 178.22 2nck h ALA 130 N 0.73 1.35 -0.39 1.87 0.00 -1.30 0.24 119.26 121.76 2nck h ALA 130 Ca 0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2nck h ALA 130 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2nck h ALA 130 CO 0.00 0.13 -0.25 -0.92 0.00 0.00 0.00 179.25 178.21 2nck h TYR 131 N 0.00 0.93 0.00 0.00 3.20 -1.06 -3.35 116.97 116.69 2nck h TYR 131 Ca -0.00 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.65 2nck h TYR 131 Cb 0.28 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2nck h TYR 131 CO 0.00 0.97 -0.74 1.19 -1.64 0.00 0.00 178.16 177.94 2nck n PHE 132 N -4.10 0.00 -4.23 -3.82 3.72 -0.83 -5.02 117.46 103.17 2nck n PHE 132 Ca -0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 2nck n PHE 132 Cb 0.45 -0.06 -0.14 0.00 -0.94 0.00 0.00 39.48 38.79 2nck n PHE 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2nck s PHE 133 N -2.20 0.61 0.43 1.38 0.08 0.79 -5.11 117.98 113.96 2nck s PHE 133 Ca 0.02 -0.13 -0.14 0.00 0.12 0.00 0.00 56.93 56.80 2nck s PHE 133 Cb 0.08 -0.39 -0.08 0.00 -0.57 0.00 0.00 43.02 42.06 2nck s PHE 133 CO 0.45 -0.01 0.85 1.03 -0.10 0.00 0.00 175.22 177.44 2nck s ARG 134 N -0.23 3.92 0.47 0.44 0.52 -1.26 -4.32 118.95 118.48 2nck s ARG 134 Ca 0.02 0.73 0.12 0.00 -0.52 0.00 0.00 55.73 56.08 2nck s ARG 134 Cb -0.03 -2.29 1.09 0.00 0.52 0.00 0.00 34.95 34.24 2nck s ARG 134 CO -0.00 -0.08 2.11 0.93 0.02 0.00 0.00 175.30 178.28 2nck h GLU 135 N 1.39 0.24 0.00 3.54 4.39 -1.96 -0.35 114.58 121.83 2nck h GLU 135 Ca -0.47 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.21 2nck h GLU 135 Cb 1.18 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2nck h GLU 135 CO 0.63 0.16 0.00 0.25 -1.16 0.00 0.00 179.01 178.89 2nck n THR 136 N -4.51 0.15 0.83 1.13 -2.24 -1.26 -2.03 114.28 106.35 2nck n THR 136 Ca 0.00 0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 2nck n THR 136 Cb 0.09 -0.73 0.05 0.00 -2.10 0.00 0.00 70.33 67.64 2nck n THR 136 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nck n GLU 137 N -1.10 1.65 -4.01 -0.78 1.02 -0.14 -4.91 120.64 112.38 2nck n GLU 137 Ca 0.13 -1.36 -0.35 0.00 -0.02 0.00 0.00 57.16 55.56 2nck n GLU 137 Cb 0.10 -1.37 -0.12 0.00 -0.02 0.00 0.00 31.44 30.02 2nck n GLU 137 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2nck s ILE 138 N -1.86 4.19 -0.17 -3.67 1.01 -0.86 -4.63 121.20 115.21 2nck s ILE 138 Ca 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 2nck s ILE 138 Cb 0.16 -2.91 0.05 0.00 0.01 0.00 0.00 42.46 39.78 2nck s ILE 138 CO 0.34 0.42 0.03 -1.00 0.00 0.00 0.00 174.94 174.73 2nck s HIS 139 N 0.99 0.95 0.49 3.97 3.76 0.11 -5.02 115.29 120.54 2nck s HIS 139 Ca 0.02 -0.71 -0.16 0.00 -0.15 0.00 0.00 55.06 54.06 2nck s HIS 139 Cb -0.14 -0.98 -0.08 0.00 1.11 0.00 0.00 32.58 32.49 2nck s HIS 139 CO 0.02 -0.55 0.95 0.45 -0.85 0.00 0.00 174.74 174.76 2nck s SER 140 N 1.88 6.65 0.05 1.40 0.15 -1.26 -4.61 113.70 117.96 2nck s SER 140 Ca 0.00 1.53 -0.16 0.00 0.70 0.00 0.00 55.95 58.03 2nck s SER 140 Cb -0.16 -2.49 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 2nck s SER 140 CO -0.07 -0.53 0.35 -0.72 1.20 0.00 0.00 173.24 173.46 2nck s TYR 141 N -2.54 -0.17 0.30 3.44 1.13 -1.26 -5.15 117.35 113.11 2nck s TYR 141 Ca 0.58 0.06 -0.13 0.00 -1.41 0.00 0.00 57.07 56.18 2nck s TYR 141 Cb -0.10 0.15 -0.08 0.00 -1.10 0.00 0.00 41.96 40.83 2nck s TYR 141 CO 0.29 -0.54 0.68 -1.25 -2.51 0.00 0.00 175.55 172.23 2nck s PRO 142 N -2.58 3.93 0.38 -3.49 0.04 -1.26 -5.07 135.00 126.95 2nck s PRO 142 Ca -0.05 0.54 -0.10 0.00 0.04 0.00 0.00 61.00 61.43 2nck s PRO 142 Cb -0.01 -2.49 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 2nck s PRO 142 CO -0.03 0.19 0.73 0.71 0.04 0.00 0.00 177.00 178.63 2nck s TYR 143 N -1.97 3.46 0.00 0.56 2.02 -1.26 -5.28 117.35 114.88 2nck s TYR 143 Ca 0.52 1.00 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 2nck s TYR 143 Cb -0.10 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 39.06 2nck s TYR 143 CO 0.19 -0.04 0.00 0.00 -1.57 0.00 0.00 175.55 174.13