#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9k s ILE 2 N 0.00 0.81 -0.08 3.17 1.01 -0.59 -1.47 121.20 124.05 1c9k s ILE 2 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 1c9k s ILE 2 Cb 0.00 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 1c9k s ILE 2 CO 0.00 0.25 -0.01 -0.22 0.00 0.00 0.00 174.94 174.95 1c9k s LEU 3 N 0.07 3.50 -0.17 2.97 2.96 0.72 -0.95 118.68 127.77 1c9k s LEU 3 Ca -0.01 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1c9k s LEU 3 Cb -0.07 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.87 1c9k s LEU 3 CO 0.00 0.37 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.67 1c9k s VAL 4 N -0.83 1.03 0.23 1.68 1.01 0.62 -1.27 120.40 122.87 1c9k s VAL 4 Ca 0.13 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1c9k s VAL 4 Cb -0.11 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1c9k s VAL 4 CO 0.02 0.08 -0.08 0.28 0.00 0.00 0.00 175.10 175.40 1c9k s THR 5 N 1.66 1.48 0.00 3.92 -1.32 -0.24 -0.67 115.64 120.47 1c9k s THR 5 Ca 0.00 -2.12 0.00 0.00 -1.21 0.00 0.00 61.69 58.36 1c9k s THR 5 Cb -0.16 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.60 1c9k s THR 5 CO -0.07 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.50 1c9k n GLY 6 N -0.44 0.42 0.00 6.08 0.00 -1.22 -1.37 105.19 108.65 1c9k n GLY 6 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1c9k n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c9k n GLY 7 N -0.32 -0.95 3.71 -0.02 0.00 -1.26 -1.28 105.19 105.07 1c9k n GLY 7 Ca 0.00 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1c9k n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c9k s ALA 8 N -3.96 3.43 -1.16 4.61 0.00 -1.26 -3.31 121.76 120.11 1c9k s ALA 8 Ca 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 1c9k s ALA 8 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1c9k s ALA 8 CO 0.00 -0.52 0.99 0.54 0.00 0.00 0.00 175.76 176.77 1c9k n ARG 9 N 4.21 -6.65 0.06 0.00 5.12 -1.26 -4.91 116.66 113.23 1c9k n ARG 9 Ca 0.10 0.75 0.11 0.00 -1.93 0.00 0.00 57.85 56.88 1c9k n ARG 9 Cb 0.46 -5.54 0.02 0.00 -1.16 0.00 0.00 32.46 26.24 1c9k n ARG 9 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1c9k n SER 10 N -2.72 0.66 0.00 0.55 3.41 -1.21 -4.81 113.62 109.50 1c9k n SER 10 Ca -0.11 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1c9k n SER 10 Cb 0.60 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1c9k n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c9k n GLY 11 N 1.27 0.86 0.28 5.00 0.00 -1.26 0.63 105.19 111.98 1c9k n GLY 11 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1c9k n GLY 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1c9k h LYS 12 N 3.19 0.60 -0.19 1.61 2.10 -1.89 -0.30 116.57 121.69 1c9k h LYS 12 Ca 0.00 -0.11 0.03 0.00 -2.00 0.00 0.00 60.65 58.57 1c9k h LYS 12 Cb 0.00 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.21 1c9k h LYS 12 CO 0.00 0.57 0.01 0.77 -2.00 0.00 0.00 179.45 178.79 1c9k h SER 13 N 0.58 -0.05 -0.06 7.07 0.02 -1.97 0.36 113.55 119.50 1c9k h SER 13 Ca 0.13 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 1c9k h SER 13 Cb 0.25 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1c9k h SER 13 CO -0.00 -0.00 -0.22 0.03 -1.14 0.00 0.00 176.83 175.50 1c9k h ARG 14 N 0.07 0.46 -0.22 3.45 -0.00 -1.94 -0.99 114.38 115.21 1c9k h ARG 14 Ca 0.09 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.98 59.32 1c9k h ARG 14 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 29.97 30.03 1c9k h ARG 14 CO -0.14 0.65 -0.18 1.25 0.00 0.00 0.00 179.97 181.56 1c9k h HIS 15 N 0.41 0.61 -0.31 3.04 6.17 -0.57 -0.11 115.15 124.39 1c9k h HIS 15 Ca 0.07 -0.17 0.07 0.00 0.71 0.00 0.00 60.37 61.04 1c9k h HIS 15 Cb 0.61 -0.13 -0.07 0.00 2.52 0.00 0.00 27.41 30.34 1c9k h HIS 15 CO 0.02 0.84 -0.18 0.00 0.71 0.00 0.00 177.93 179.32 1c9k h ALA 16 N 0.68 0.06 -0.87 5.26 0.00 -0.66 0.35 119.26 124.08 1c9k h ALA 16 Ca 0.04 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1c9k h ALA 16 Cb 0.71 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1c9k h ALA 16 CO 0.05 -0.57 0.57 0.93 0.00 0.00 0.00 179.25 180.23 1c9k h GLU 17 N -0.13 0.93 -0.45 0.00 5.08 -1.11 0.21 114.58 119.10 1c9k h GLU 17 Ca 0.16 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1c9k h GLU 17 Cb 0.38 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1c9k h GLU 17 CO -0.40 0.61 -0.22 0.00 -1.00 0.00 0.00 179.01 178.01 1c9k h ALA 18 N 1.53 0.77 -0.86 3.43 0.00 0.12 0.10 119.26 124.35 1c9k h ALA 18 Ca 0.38 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1c9k h ALA 18 Cb 0.24 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1c9k h ALA 18 CO -0.14 0.66 0.56 -0.07 0.00 0.00 0.00 179.25 180.26 1c9k h LEU 19 N 0.79 0.76 -0.00 0.00 4.07 0.27 -2.66 115.31 118.54 1c9k h LEU 19 Ca 0.10 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 1c9k h LEU 19 Cb 0.77 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1c9k h LEU 19 CO 0.06 0.45 -0.19 0.40 -1.08 0.00 0.00 178.44 178.08 1c9k h ILE 20 N 0.84 1.56 0.00 1.22 2.04 -0.95 -3.49 117.51 118.74 1c9k h ILE 20 Ca 0.40 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1c9k h ILE 20 Cb 0.41 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1c9k h ILE 20 CO -0.17 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.11 1c9k n GLY 21 N 1.03 3.21 0.00 5.37 0.00 0.31 -3.35 105.19 111.76 1c9k n GLY 21 Ca -0.10 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.75 1c9k n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c9k n ASP 22 N 3.40 0.00 -4.68 1.61 5.68 -1.26 -4.95 116.55 116.35 1c9k n ASP 22 Ca 0.00 -0.81 -0.60 0.00 -0.50 0.00 0.00 54.79 52.89 1c9k n ASP 22 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 1c9k n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1c9k n ALA 23 N -0.83 -0.98 -0.35 2.12 0.00 -1.21 -4.87 120.51 114.38 1c9k n ALA 23 Ca 0.10 0.46 -0.07 0.00 0.00 0.00 0.00 53.44 53.93 1c9k n ALA 23 Cb 0.04 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 1c9k n ALA 23 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1c9k h PRO 24 N 5.77 -0.06 -5.07 0.00 0.13 -1.93 -3.38 132.00 127.47 1c9k h PRO 24 Ca -0.46 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.03 1c9k h PRO 24 Cb 1.35 0.01 -0.34 0.00 0.13 0.00 0.00 31.00 32.15 1c9k h PRO 24 CO 0.90 -0.04 -0.86 1.14 -0.23 0.00 0.00 178.00 178.92 1c9k s GLN 25 N -5.75 2.74 0.05 0.86 1.03 -1.26 -4.83 119.66 112.49 1c9k s GLN 25 Ca -0.13 -0.76 0.06 0.00 0.04 0.00 0.00 55.36 54.57 1c9k s GLN 25 Cb 0.15 -2.21 -0.02 0.00 0.03 0.00 0.00 33.01 30.96 1c9k s GLN 25 CO 0.67 0.01 -0.17 0.08 -2.54 0.00 0.00 175.29 173.34 1c9k s VAL 26 N 0.76 1.35 -0.20 3.63 1.01 -0.95 -2.42 120.40 123.59 1c9k s VAL 26 Ca -0.10 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.78 1c9k s VAL 26 Cb -0.16 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.05 1c9k s VAL 26 CO 0.01 0.07 -0.15 -0.22 0.00 0.00 0.00 175.10 174.81 1c9k s LEU 27 N -1.22 2.41 -0.26 3.92 2.96 -0.95 -0.09 118.68 125.45 1c9k s LEU 27 Ca 0.04 -0.86 -0.19 0.00 -0.22 0.00 0.00 54.13 52.90 1c9k s LEU 27 Cb -0.08 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 1c9k s LEU 27 CO 0.02 -0.09 0.57 -0.47 -1.32 0.00 0.00 176.35 175.06 1c9k s TYR 28 N 1.30 3.26 -0.27 5.38 6.14 0.15 -1.48 117.35 131.84 1c9k s TYR 28 Ca 0.00 0.69 -0.08 0.00 0.64 0.00 0.00 57.07 58.32 1c9k s TYR 28 Cb -0.15 -2.80 -0.03 0.00 0.42 0.00 0.00 41.96 39.40 1c9k s TYR 28 CO -0.10 -0.33 0.11 0.42 0.64 0.00 0.00 175.55 176.30 1c9k s ILE 29 N 2.42 4.53 -0.29 3.14 1.01 0.29 -2.12 121.20 130.18 1c9k s ILE 29 Ca 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 1c9k s ILE 29 Cb -0.15 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.17 1c9k s ILE 29 CO 0.09 0.26 0.03 0.00 0.00 0.00 0.00 174.94 175.32 1c9k s ALA 30 N 1.64 2.90 -0.93 9.38 0.00 0.21 0.95 121.76 135.91 1c9k s ALA 30 Ca 0.06 -1.60 0.25 0.00 0.00 0.00 0.00 51.96 50.67 1c9k s ALA 30 Cb -0.16 -2.00 0.53 0.00 0.00 0.00 0.00 23.12 21.48 1c9k s ALA 30 CO 0.05 -1.08 1.43 0.25 0.00 0.00 0.00 175.76 176.41 1c9k n THR 31 N 4.74 0.06 -2.41 0.00 -2.24 -0.80 -1.73 114.28 111.90 1c9k n THR 31 Ca -0.14 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 1c9k n THR 31 Cb 0.46 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1c9k n THR 31 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c9k s SER 32 N -3.23 6.25 -0.21 3.42 0.01 -1.26 -4.62 113.70 114.06 1c9k s SER 32 Ca 0.10 2.09 -0.05 0.00 1.31 0.00 0.00 55.95 59.40 1c9k s SER 32 Cb 0.17 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1c9k s SER 32 CO 0.69 -0.85 0.01 -1.10 0.41 0.00 0.00 173.24 172.40 1c9k s GLN 33 N -2.96 3.59 -0.80 12.44 -0.21 -1.26 -4.95 119.66 125.51 1c9k s GLN 33 Ca 0.66 -0.52 -0.25 0.00 0.02 0.00 0.00 55.36 55.26 1c9k s GLN 33 Cb -0.22 -3.12 0.05 0.00 1.00 0.00 0.00 33.01 30.71 1c9k s GLN 33 CO 0.26 -0.06 1.26 0.42 -2.12 0.00 0.00 175.29 175.05 1c9k s ILE 34 N 1.20 3.92 -0.44 1.08 1.01 -1.26 -4.85 121.20 121.86 1c9k s ILE 34 Ca 0.03 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1c9k s ILE 34 Cb -0.15 -4.90 0.53 0.00 0.01 0.00 0.00 42.46 37.95 1c9k s ILE 34 CO 0.01 -1.79 1.86 0.18 0.00 0.00 0.00 174.94 175.20 1c9k n LEU 35 N 8.83 6.55 -3.63 2.97 7.99 -1.26 -4.85 117.00 133.60 1c9k n LEU 35 Ca 0.10 -3.51 -0.03 0.00 -0.01 0.00 0.00 56.01 52.55 1c9k n LEU 35 Cb 0.49 -0.85 -0.03 0.00 -0.11 0.00 0.00 43.42 42.92 1c9k n LEU 35 CO 0.68 1.09 1.10 1.51 -1.51 0.00 0.00 177.39 180.26 1c9k s ASP 36 N -1.08 -0.07 0.42 -1.43 3.84 -1.26 -4.94 116.67 112.15 1c9k s ASP 36 Ca 0.51 0.03 0.21 0.00 -0.00 0.00 0.00 52.55 53.30 1c9k s ASP 36 Cb 0.42 0.07 0.89 0.00 -1.38 0.00 0.00 42.92 42.93 1c9k s ASP 36 CO 0.07 -0.10 1.83 0.44 -0.00 0.00 0.00 175.17 177.41 1c9k h ASP 37 N 2.04 0.00 -0.09 2.11 3.32 -1.97 0.90 116.42 122.73 1c9k h ASP 37 Ca -0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1c9k h ASP 37 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1c9k h ASP 37 CO 0.21 0.29 -0.11 1.05 -1.72 0.00 0.00 179.24 178.97 1c9k h GLU 38 N 0.00 0.22 -0.22 3.56 -0.00 -1.97 0.98 114.58 117.15 1c9k h GLU 38 Ca -0.00 -0.13 -0.13 0.00 -0.00 0.00 0.00 59.36 59.10 1c9k h GLU 38 Cb 0.72 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.47 1c9k h GLU 38 CO 0.04 0.68 -0.41 1.98 -0.00 0.00 0.00 179.01 181.29 1c9k h MET 39 N -0.21 0.52 -0.07 1.06 4.05 -1.81 -2.14 114.93 116.33 1c9k h MET 39 Ca 0.01 -0.27 -0.14 0.00 -0.28 0.00 0.00 59.70 59.03 1c9k h MET 39 Cb 0.64 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.46 1c9k h MET 39 CO 0.03 0.84 -0.50 0.00 0.23 0.00 0.00 176.91 177.51 1c9k h ALA 40 N 1.12 0.15 -0.30 0.39 0.00 0.93 -2.98 119.26 118.58 1c9k h ALA 40 Ca 0.04 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1c9k h ALA 40 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1c9k h ALA 40 CO 0.08 0.34 0.17 0.00 0.00 0.00 0.00 179.25 179.84 1c9k h ALA 41 N 0.43 1.74 0.03 0.00 0.00 0.10 -2.37 119.26 119.18 1c9k h ALA 41 Ca -0.04 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1c9k h ALA 41 Cb 1.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1c9k h ALA 41 CO 0.10 0.23 -1.05 0.07 0.00 0.00 0.00 179.25 178.60 1c9k h ARG 42 N 0.41 0.06 -0.01 0.00 0.11 -1.41 -3.02 114.38 110.52 1c9k h ARG 42 Ca 0.11 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1c9k h ARG 42 Cb 0.00 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.12 1c9k h ARG 42 CO -0.02 1.05 0.01 0.82 0.10 0.00 0.00 179.97 181.93 1c9k h ILE 43 N 0.02 0.43 -0.15 0.08 2.04 -1.27 -1.90 117.51 116.77 1c9k h ILE 43 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1c9k h ILE 43 Cb 1.81 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.82 1c9k h ILE 43 CO 0.15 0.00 -0.24 1.56 0.00 0.00 0.00 178.15 179.62 1c9k h GLN 44 N 0.00 -0.28 -0.22 2.37 4.20 -1.38 0.05 115.11 119.85 1c9k h GLN 44 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1c9k h GLN 44 Cb 0.03 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1c9k h GLN 44 CO -0.00 -0.19 0.14 1.12 -0.67 0.00 0.00 178.83 179.23 1c9k h HIS 45 N -0.30 0.27 0.54 2.96 2.07 -1.48 0.15 115.15 119.37 1c9k h HIS 45 Ca 0.11 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.61 1c9k h HIS 45 Cb 0.46 -0.09 0.01 0.00 2.57 0.00 0.00 27.41 30.35 1c9k h HIS 45 CO -0.35 0.17 -0.26 1.12 -3.07 0.00 0.00 177.93 175.55 1c9k h HIS 46 N 0.29 -0.67 -0.15 6.12 -0.00 -1.08 -2.30 115.15 117.36 1c9k h HIS 46 Ca 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1c9k h HIS 46 Cb -0.03 0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1c9k h HIS 46 CO 0.00 -0.39 0.10 0.87 -0.00 0.00 0.00 177.93 178.51 1c9k h LYS 47 N -0.78 0.19 -1.29 5.12 1.57 -0.34 -2.54 116.57 118.50 1c9k h LYS 47 Ca -0.07 -0.01 0.37 0.00 -1.87 0.00 0.00 60.65 59.07 1c9k h LYS 47 Cb 0.58 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.77 1c9k h LYS 47 CO 0.12 0.13 0.89 -0.44 -0.57 0.00 0.00 179.45 179.58 1c9k h ASP 48 N 0.20 0.13 0.18 0.86 3.45 -0.61 3.42 116.42 124.06 1c9k h ASP 48 Ca 0.05 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1c9k h ASP 48 Cb -0.02 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1c9k h ASP 48 CO -0.01 -0.01 -0.38 0.61 -1.57 0.00 0.00 179.24 177.88 1c9k n GLY 49 N -1.69 -0.53 3.77 2.75 0.00 -0.88 -4.91 105.19 103.70 1c9k n GLY 49 Ca 0.30 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1c9k n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c9k s ARG 50 N -2.57 3.93 0.70 1.61 3.52 1.14 -5.01 118.95 122.27 1c9k s ARG 50 Ca 0.21 1.84 -0.11 0.00 -0.13 0.00 0.00 55.73 57.54 1c9k s ARG 50 Cb 0.19 -2.58 0.02 0.00 -1.56 0.00 0.00 34.95 31.01 1c9k s ARG 50 CO 0.57 -0.42 1.09 -2.14 -0.81 0.00 0.00 175.30 173.59 1c9k s PRO 51 N -2.44 2.81 0.28 5.12 0.02 -1.26 -4.99 135.00 134.54 1c9k s PRO 51 Ca 0.59 0.41 0.14 0.00 0.02 0.00 0.00 61.00 62.16 1c9k s PRO 51 Cb -0.30 -2.03 0.29 0.00 0.02 0.00 0.00 34.50 32.47 1c9k s PRO 51 CO 0.38 -1.05 1.55 0.00 -0.33 0.00 0.00 177.00 177.55 1c9k h ALA 52 N -0.64 0.78 -0.70 -1.55 0.00 -1.99 -3.03 119.26 112.13 1c9k h ALA 52 Ca -0.45 -0.53 -0.25 0.00 0.00 0.00 0.00 54.91 53.69 1c9k h ALA 52 Cb 1.26 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 1c9k h ALA 52 CO 0.64 0.72 0.31 -2.39 0.00 0.00 0.00 179.25 178.53 1c9k n HIS 53 N -3.47 2.28 -4.18 0.00 1.44 -1.26 -4.79 115.22 105.22 1c9k n HIS 53 Ca 0.00 -1.20 -0.31 0.00 -2.01 0.00 0.00 57.72 54.21 1c9k n HIS 53 Cb 0.67 -0.68 -0.16 0.00 0.12 0.00 0.00 29.99 29.94 1c9k n HIS 53 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1c9k s TRP 54 N -2.70 2.36 -0.05 -1.40 0.52 -1.15 -2.23 118.94 114.29 1c9k s TRP 54 Ca 0.48 -1.31 -0.08 0.00 0.02 0.00 0.00 56.10 55.21 1c9k s TRP 54 Cb 0.39 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.98 1c9k s TRP 54 CO 0.11 -0.67 0.24 -0.98 0.02 0.00 0.00 176.95 175.67 1c9k s ARG 55 N 1.29 3.59 0.11 4.98 1.70 0.88 -4.83 118.95 126.67 1c9k s ARG 55 Ca 0.02 0.00 0.07 0.00 -0.47 0.00 0.00 55.73 55.35 1c9k s ARG 55 Cb -0.13 -3.16 -0.04 0.00 -0.57 0.00 0.00 34.95 31.04 1c9k s ARG 55 CO -0.09 0.72 -0.07 0.99 -1.08 0.00 0.00 175.30 175.77 1c9k s THR 56 N -1.13 3.52 -0.24 4.99 2.01 -1.26 0.33 115.64 123.86 1c9k s THR 56 Ca 0.21 -1.26 -0.08 0.00 0.31 0.00 0.00 61.69 60.87 1c9k s THR 56 Cb -0.13 -2.67 0.10 0.00 0.01 0.00 0.00 72.50 69.81 1c9k s THR 56 CO 0.10 0.07 0.51 0.00 -0.69 0.00 0.00 174.62 174.62 1c9k s ALA 57 N -1.32 -1.50 -1.36 7.40 0.00 -0.90 -4.96 121.76 119.13 1c9k s ALA 57 Ca 0.23 1.84 -0.12 0.00 0.00 0.00 0.00 51.96 53.91 1c9k s ALA 57 Cb -0.11 -1.48 0.11 0.00 0.00 0.00 0.00 23.12 21.64 1c9k s ALA 57 CO 0.15 -0.80 2.02 0.39 0.00 0.00 0.00 175.76 177.53 1c9k n GLU 58 N 5.35 3.26 -4.14 0.00 1.02 -1.25 0.65 120.64 125.53 1c9k n GLU 58 Ca -0.11 -3.11 -0.09 0.00 -0.02 0.00 0.00 57.16 53.83 1c9k n GLU 58 Cb 0.50 -3.11 -0.10 0.00 -0.02 0.00 0.00 31.44 28.71 1c9k n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1c9k n TRP 60 N -0.04 0.00 -4.17 0.00 4.27 -1.26 -3.22 117.44 113.02 1c9k n TRP 60 Ca -0.09 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.35 1c9k n TRP 60 Cb 0.63 0.11 -0.12 0.00 -1.36 0.00 0.00 31.31 30.57 1c9k n TRP 60 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1c9k s ARG 61 N 0.00 0.75 -1.41 -2.67 1.81 -1.26 -4.86 118.95 111.30 1c9k s ARG 61 Ca 0.00 -0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 53.03 1c9k s ARG 61 Cb 0.00 -0.69 0.09 0.00 -0.45 0.00 0.00 34.95 33.89 1c9k s ARG 61 CO 0.00 0.15 0.63 0.72 -0.68 0.00 0.00 175.30 176.12 1c9k n HIS 62 N 1.45 -1.87 0.01 -0.53 8.25 -1.26 -4.79 115.22 116.48 1c9k n HIS 62 Ca -0.21 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1c9k n HIS 62 Cb 0.54 -3.16 0.03 0.00 1.12 0.00 0.00 29.99 28.52 1c9k n HIS 62 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1c9k n LEU 63 N -4.01 0.03 0.31 2.41 4.77 -1.26 0.18 117.00 119.42 1c9k n LEU 63 Ca 0.01 0.42 0.21 0.00 -0.03 0.00 0.00 56.01 56.62 1c9k n LEU 63 Cb 0.53 -0.42 1.03 0.00 -2.33 0.00 0.00 43.42 42.22 1c9k n LEU 63 CO 0.61 -0.43 1.11 -2.24 -1.33 0.00 0.00 177.39 175.11 1c9k h ASP 64 N 0.00 0.00 0.96 -1.43 -0.00 -1.87 4.24 116.42 118.32 1c9k h ASP 64 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 56.85 1c9k h ASP 64 Cb 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.49 1c9k h ASP 64 CO 0.00 0.00 -1.11 0.74 -0.00 0.00 0.00 179.24 178.87 1c9k h THR 65 N 0.00 0.96 0.00 1.15 2.02 -0.63 -3.39 112.91 113.03 1c9k h THR 65 Ca 0.00 -2.53 -0.42 0.00 0.77 0.00 0.00 66.41 64.22 1c9k h THR 65 Cb 0.16 2.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.91 1c9k h THR 65 CO 0.00 0.55 -2.32 0.18 0.37 0.00 0.00 175.52 174.30 1c9k n LEU 66 N -3.12 1.97 -4.53 2.58 4.77 0.32 -4.74 117.00 114.25 1c9k n LEU 66 Ca -0.05 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 1c9k n LEU 66 Cb 0.87 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1c9k n LEU 66 CO 0.44 0.54 1.26 -0.63 -1.33 0.00 0.00 177.39 177.67 1c9k s ILE 67 N -2.48 4.02 0.23 -0.08 1.01 1.32 -4.95 121.20 120.26 1c9k s ILE 67 Ca -0.37 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 59.79 1c9k s ILE 67 Cb 0.13 -4.95 -0.04 0.00 0.01 0.00 0.00 42.46 37.61 1c9k s ILE 67 CO 0.51 -1.81 0.17 0.28 0.00 0.00 0.00 174.94 174.09 1c9k s THR 68 N 4.75 4.44 -0.58 2.92 -1.32 -1.26 -4.57 115.64 120.02 1c9k s THR 68 Ca 0.39 -1.32 0.25 0.00 -1.21 0.00 0.00 61.69 59.81 1c9k s THR 68 Cb -0.04 -3.36 0.30 0.00 -1.51 0.00 0.00 72.50 67.89 1c9k s THR 68 CO -0.02 -0.28 1.74 0.00 -2.21 0.00 0.00 174.62 173.85 1c9k h ALA 69 N 1.78 1.00 -0.01 11.08 0.00 -1.91 -3.18 119.26 128.01 1c9k h ALA 69 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1c9k h ALA 69 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1c9k h ALA 69 CO 0.61 0.00 -0.08 -0.40 0.00 0.00 0.00 179.25 179.39 1c9k n ASP 70 N -2.54 1.49 -4.67 0.00 5.75 -1.26 -4.62 116.55 110.70 1c9k n ASP 70 Ca 0.04 -1.38 -0.41 0.00 -0.01 0.00 0.00 54.79 53.04 1c9k n ASP 70 Cb 0.43 0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.58 1c9k n ASP 70 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1c9k n LEU 71 N 0.04 3.71 -4.73 -2.12 4.77 -1.20 -4.94 117.00 112.53 1c9k n LEU 71 Ca 0.17 1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 56.79 1c9k n LEU 71 Cb 0.37 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 39.97 1c9k n LEU 71 CO 0.19 -0.95 0.77 0.00 -1.33 0.00 0.00 177.39 176.07 1c9k s ALA 72 N -1.24 3.32 -0.45 -1.18 0.00 -1.26 -4.24 121.76 116.71 1c9k s ALA 72 Ca 0.63 0.73 0.16 0.00 0.00 0.00 0.00 51.96 53.49 1c9k s ALA 72 Cb -0.51 -3.35 0.85 0.00 0.00 0.00 0.00 23.12 20.11 1c9k s ALA 72 CO 0.56 -0.22 1.50 -0.35 0.00 0.00 0.00 175.76 177.26 1c9k n PRO 73 N 2.97 0.11 0.02 0.00 -0.04 -1.24 -1.42 135.00 135.40 1c9k n PRO 73 Ca 0.04 0.57 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 1c9k n PRO 73 Cb 0.47 -1.83 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 1c9k n PRO 73 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1c9k n ASP 74 N -2.05 0.61 -4.92 3.54 10.43 -1.26 -4.31 116.55 118.60 1c9k n ASP 74 Ca -0.01 -0.24 -0.27 0.00 2.57 0.00 0.00 54.79 56.84 1c9k n ASP 74 Cb 0.05 0.82 0.04 0.00 1.84 0.00 0.00 41.12 43.87 1c9k n ASP 74 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1c9k s ASP 75 N -3.88 5.42 0.11 -2.24 -0.00 -0.50 -4.52 116.67 111.04 1c9k s ASP 75 Ca 0.04 0.71 -0.02 0.00 -0.00 0.00 0.00 52.55 53.28 1c9k s ASP 75 Cb 0.14 -1.61 -0.04 0.00 -0.00 0.00 0.00 42.92 41.42 1c9k s ASP 75 CO 0.80 -1.21 0.04 0.00 -0.00 0.00 0.00 175.17 174.81 1c9k s ALA 76 N -3.09 0.68 -0.02 5.23 0.00 -1.02 -0.86 121.76 122.70 1c9k s ALA 76 Ca 0.56 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1c9k s ALA 76 Cb -0.11 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1c9k s ALA 76 CO 0.46 -0.46 -0.02 0.42 0.00 0.00 0.00 175.76 176.16 1c9k s ILE 77 N -4.00 0.26 -0.22 0.00 1.01 0.79 -2.24 121.20 116.81 1c9k s ILE 77 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.80 1c9k s ILE 77 Cb 0.07 -0.29 0.04 0.00 0.01 0.00 0.00 42.46 42.30 1c9k s ILE 77 CO -0.02 0.12 -0.14 -0.22 0.00 0.00 0.00 174.94 174.68 1c9k s LEU 78 N 0.50 2.81 -0.19 2.97 0.20 -0.55 0.00 118.68 124.43 1c9k s LEU 78 Ca -0.05 -1.06 -0.06 0.00 0.69 0.00 0.00 54.13 53.64 1c9k s LEU 78 Cb -0.08 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.17 1c9k s LEU 78 CO -0.01 -0.12 0.03 -0.22 -0.29 0.00 0.00 176.35 175.74 1c9k s LEU 79 N 1.21 3.53 -0.21 -0.68 0.20 0.43 0.10 118.68 123.25 1c9k s LEU 79 Ca -0.03 -0.07 -0.02 0.00 0.69 0.00 0.00 54.13 54.70 1c9k s LEU 79 Cb -0.17 -1.89 0.07 0.00 -0.43 0.00 0.00 46.19 43.76 1c9k s LEU 79 CO -0.08 0.12 0.04 -0.70 -0.29 0.00 0.00 176.35 175.43 1c9k s GLU 80 N 0.71 0.70 0.18 1.98 2.12 0.27 -2.12 118.70 122.53 1c9k s GLU 80 Ca 0.02 -0.54 -0.05 0.00 0.36 0.00 0.00 54.97 54.76 1c9k s GLU 80 Cb -0.14 -2.09 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 1c9k s GLU 80 CO 0.02 -0.70 0.21 0.00 -0.54 0.00 0.00 175.26 174.25 1c9k h ILE 82 N 2.61 0.35 -0.98 0.00 1.08 -1.18 -2.81 117.51 116.58 1c9k h ILE 82 Ca -0.33 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.41 1c9k h ILE 82 Cb 1.23 0.35 -0.14 0.00 -3.07 0.00 0.00 36.82 35.20 1c9k h ILE 82 CO 0.50 0.00 0.52 0.74 -0.69 0.00 0.00 178.15 179.23 1c9k h THR 83 N -0.32 0.41 -0.18 -0.27 2.02 -1.94 0.30 112.91 112.92 1c9k h THR 83 Ca 0.11 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 1c9k h THR 83 Cb 0.50 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1c9k h THR 83 CO -0.36 0.08 -0.39 0.74 0.37 0.00 0.00 175.52 175.95 1c9k h THR 84 N 0.42 1.33 -0.35 3.16 2.02 -1.89 0.15 112.91 117.75 1c9k h THR 84 Ca 0.66 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1c9k h THR 84 Cb 1.38 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.68 1c9k h THR 84 CO -0.55 0.50 0.23 -0.03 0.37 0.00 0.00 175.52 176.04 1c9k h MET 85 N 0.25 0.47 -0.68 6.66 -1.53 -0.86 0.99 114.93 120.24 1c9k h MET 85 Ca 0.00 -0.03 -0.06 0.00 -3.44 0.00 0.00 59.70 56.17 1c9k h MET 85 Cb 1.00 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.91 1c9k h MET 85 CO 0.09 0.33 0.19 0.28 0.14 0.00 0.00 176.91 177.94 1c9k h VAL 86 N 0.47 1.26 -0.24 -5.77 2.07 -0.38 0.21 116.25 113.86 1c9k h VAL 86 Ca 0.13 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 1c9k h VAL 86 Cb -0.03 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1c9k h VAL 86 CO -0.03 0.35 -0.28 0.74 0.02 0.00 0.00 177.57 178.38 1c9k h THR 87 N 1.00 1.27 -0.02 2.57 2.02 0.13 -1.85 112.91 118.02 1c9k h THR 87 Ca 0.22 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1c9k h THR 87 Cb 0.33 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1c9k h THR 87 CO -0.00 0.42 0.01 0.78 0.37 0.00 0.00 175.52 177.10 1c9k h ASN 88 N 0.42 0.03 -0.04 4.18 2.35 0.21 -2.47 115.58 120.26 1c9k h ASN 88 Ca 0.06 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1c9k h ASN 88 Cb 0.70 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 1c9k h ASN 88 CO 0.05 0.08 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.76 1c9k h LEU 89 N -0.03 -0.24 -0.31 1.61 3.38 -0.43 -2.32 115.31 116.98 1c9k h LEU 89 Ca 0.01 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1c9k h LEU 89 Cb 0.06 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 1c9k h LEU 89 CO -0.00 -0.12 -0.48 -0.07 0.09 0.00 0.00 178.44 177.86 1c9k h LEU 90 N -0.12 -1.56 -1.48 1.67 3.38 -1.23 0.20 115.31 116.17 1c9k h LEU 90 Ca 0.04 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1c9k h LEU 90 Cb 0.18 0.65 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1c9k h LEU 90 CO -0.11 -0.41 0.00 -0.26 0.09 0.00 0.00 178.44 177.75 1c9k h PHE 91 N -0.42 0.00 0.82 1.13 -1.00 -1.38 -0.32 116.94 115.77 1c9k h PHE 91 Ca 0.09 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 1c9k h PHE 91 Cb 0.62 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.18 1c9k h PHE 91 CO -0.62 0.00 -0.39 0.00 -1.61 0.00 0.00 178.31 175.69 1c9k h ALA 92 N 2.03 -1.11 -0.60 2.45 0.00 -0.14 -2.12 119.26 119.76 1c9k h ALA 92 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.77 1c9k h ALA 92 Cb 0.46 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 1c9k h ALA 92 CO 0.00 -1.03 -0.34 -0.07 0.00 0.00 0.00 179.25 177.81 1c9k h LEU 93 N -1.28 -1.19 -0.98 0.00 4.07 -0.72 0.51 115.31 115.72 1c9k h LEU 93 Ca -0.11 0.23 0.19 0.00 0.08 0.00 0.00 57.88 58.26 1c9k h LEU 93 Cb 0.84 0.59 -0.11 0.00 1.08 0.00 0.00 40.66 43.06 1c9k h LEU 93 CO 0.18 -0.31 0.58 1.23 -1.08 0.00 0.00 178.44 179.05 1c9k h GLY 94 N -0.16 1.74 0.00 0.83 0.00 -1.02 -3.47 103.07 100.98 1c9k h GLY 94 Ca 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1c9k h GLY 94 CO -0.69 -0.07 0.00 0.61 0.00 0.00 0.00 176.54 176.39 1c9k n GLY 95 N -1.33 0.76 1.28 4.60 0.00 0.17 -3.30 105.19 107.37 1c9k n GLY 95 Ca 0.23 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1c9k n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1c9k n GLU 96 N 0.00 0.89 -4.49 1.61 0.28 -1.26 -4.79 120.64 112.87 1c9k n GLU 96 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 1c9k n GLU 96 Cb 0.00 -1.06 -0.13 0.00 1.43 0.00 0.00 31.44 31.68 1c9k n GLU 96 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1c9k s ASN 97 N 1.50 3.35 0.39 -1.84 -0.87 -1.21 -5.11 114.94 111.15 1c9k s ASN 97 Ca 0.00 -0.70 -0.26 0.00 -1.57 0.00 0.00 52.86 50.34 1c9k s ASN 97 Cb 0.00 -0.27 -0.09 0.00 -0.02 0.00 0.00 41.25 40.87 1c9k s ASN 97 CO 0.00 0.20 1.20 -0.62 -2.57 0.00 0.00 177.10 175.31 1c9k s ASP 98 N -1.89 6.52 0.58 -1.22 3.68 -1.26 -4.86 116.67 118.22 1c9k s ASP 98 Ca 0.14 2.42 0.29 0.00 2.13 0.00 0.00 52.55 57.53 1c9k s ASP 98 Cb -0.10 -2.62 1.45 0.00 -1.45 0.00 0.00 42.92 40.20 1c9k s ASP 98 CO 0.06 -0.69 1.87 -0.65 0.13 0.00 0.00 175.17 175.89 1c9k h PRO 99 N 2.72 0.00 0.72 4.34 0.11 -1.95 0.21 132.00 138.15 1c9k h PRO 99 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1c9k h PRO 99 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1c9k h PRO 99 CO 0.63 0.00 -0.41 0.93 -0.21 0.00 0.00 178.00 178.94 1c9k h GLU 100 N 0.00 -1.01 -0.92 1.05 3.07 -2.01 -2.22 114.58 112.54 1c9k h GLU 100 Ca 0.26 0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1c9k h GLU 100 Cb 1.33 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.47 1c9k h GLU 100 CO -0.00 -0.67 0.00 0.00 -1.40 0.00 0.00 179.01 176.94 1c9k n GLN 101 N -5.55 0.74 -2.82 2.33 10.64 0.71 -4.88 117.38 118.54 1c9k n GLN 101 Ca -0.14 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.72 1c9k n GLN 101 Cb 0.44 -1.29 -0.04 0.00 -0.86 0.00 0.00 30.24 28.49 1c9k n GLN 101 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1c9k s TRP 102 N -0.57 3.44 -0.89 2.61 0.52 -0.84 -4.89 118.94 118.31 1c9k s TRP 102 Ca 0.00 1.18 -0.00 0.00 0.02 0.00 0.00 56.10 57.30 1c9k s TRP 102 Cb 0.00 -2.55 0.26 0.00 -1.15 0.00 0.00 33.47 30.04 1c9k s TRP 102 CO 0.00 -0.12 1.04 -3.47 0.02 0.00 0.00 176.95 174.42 1c9k n ASP 103 N -1.14 4.92 -0.37 2.95 4.64 -1.26 -4.90 116.55 121.38 1c9k n ASP 103 Ca 0.04 -3.33 0.29 0.00 -1.38 0.00 0.00 54.79 50.41 1c9k n ASP 103 Cb 0.54 -1.03 0.56 0.00 -1.04 0.00 0.00 41.12 40.15 1c9k n ASP 103 CO 0.00 0.00 0.00 1.88 -0.82 0.00 0.00 177.20 178.26 1c9k h TYR 104 N 5.25 0.72 -0.72 -0.67 -1.99 -1.95 0.95 116.97 118.56 1c9k h TYR 104 Ca 0.19 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.95 1c9k h TYR 104 Cb 0.70 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.20 1c9k h TYR 104 CO 0.83 -0.18 0.47 0.00 -0.00 0.00 0.00 178.16 179.28 1c9k h ALA 105 N 1.73 0.92 0.79 3.88 0.00 -1.99 0.11 119.26 124.70 1c9k h ALA 105 Ca 0.76 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.57 1c9k h ALA 105 Cb 2.05 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 19.55 1c9k h ALA 105 CO -0.50 0.35 -0.38 0.00 0.00 0.00 0.00 179.25 178.72 1c9k h ALA 106 N 1.26 -1.06 -0.45 0.00 0.00 0.44 -2.47 119.26 116.98 1c9k h ALA 106 Ca 0.26 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1c9k h ALA 106 Cb -0.10 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 1c9k h ALA 106 CO -0.06 -1.00 -0.27 0.52 0.00 0.00 0.00 179.25 178.45 1c9k h MET 107 N -1.26 -0.17 -0.53 0.00 2.07 -1.00 0.42 114.93 114.46 1c9k h MET 107 Ca -0.11 0.01 0.11 0.00 -2.07 0.00 0.00 59.70 57.64 1c9k h MET 107 Cb 0.82 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.56 1c9k h MET 107 CO 0.18 -0.11 0.36 1.49 1.07 0.00 0.00 176.91 179.90 1c9k h GLU 108 N -0.18 0.24 -0.12 1.72 4.81 -0.79 0.87 114.58 121.13 1c9k h GLU 108 Ca 0.20 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.19 1c9k h GLU 108 Cb 0.50 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.84 1c9k h GLU 108 CO -0.55 0.16 -0.81 0.00 -0.73 0.00 0.00 179.01 177.07 1c9k h ARG 109 N 0.25 0.74 -0.29 1.92 3.08 0.05 -1.05 114.38 119.07 1c9k h ARG 109 Ca 0.25 -0.63 -0.14 0.00 0.07 0.00 0.00 59.98 59.53 1c9k h ARG 109 Cb 0.66 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1c9k h ARG 109 CO -0.05 1.24 -0.38 0.00 -1.07 0.00 0.00 179.97 179.70 1c9k h ALA 110 N 0.58 0.78 -0.25 0.04 0.00 0.18 -3.05 119.26 117.55 1c9k h ALA 110 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1c9k h ALA 110 Cb 1.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1c9k h ALA 110 CO 0.16 0.65 0.16 0.82 0.00 0.00 0.00 179.25 181.04 1c9k h ILE 111 N 0.56 1.07 -0.66 0.00 2.04 0.78 -2.23 117.51 119.07 1c9k h ILE 111 Ca 0.05 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.88 1c9k h ILE 111 Cb 0.91 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1c9k h ILE 111 CO 0.08 0.07 0.44 0.44 0.00 0.00 0.00 178.15 179.18 1c9k h ASP 112 N 0.32 0.37 -0.17 1.72 5.19 -1.12 -1.58 116.42 121.16 1c9k h ASP 112 Ca 0.09 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1c9k h ASP 112 Cb -0.02 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 1c9k h ASP 112 CO -0.02 0.21 0.09 0.44 -3.12 0.00 0.00 179.24 176.84 1c9k h ASP 113 N 0.41 0.21 -0.23 6.45 3.45 -1.30 0.29 116.42 125.70 1c9k h ASP 113 Ca 0.31 -0.10 -0.08 0.00 0.43 0.00 0.00 57.03 57.60 1c9k h ASP 113 Cb 0.67 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.37 1c9k h ASP 113 CO -0.09 0.25 -0.10 -0.33 -1.57 0.00 0.00 179.24 177.40 1c9k h GLU 114 N 0.15 0.61 -0.29 3.56 4.39 -1.26 -2.14 114.58 119.60 1c9k h GLU 114 Ca 0.06 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1c9k h GLU 114 Cb 0.09 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1c9k h GLU 114 CO -0.01 0.71 0.12 0.82 -1.16 0.00 0.00 179.01 179.49 1c9k h ILE 115 N 0.56 1.17 -0.76 3.13 1.08 -0.87 -1.39 117.51 120.43 1c9k h ILE 115 Ca 0.10 -0.52 0.12 0.00 -0.39 0.00 0.00 64.86 64.18 1c9k h ILE 115 Cb 0.51 0.97 -0.08 0.00 -3.07 0.00 0.00 36.82 35.15 1c9k h ILE 115 CO 0.03 0.18 0.36 1.56 -0.69 0.00 0.00 178.15 179.59 1c9k h GLN 116 N 0.33 0.55 -0.13 2.37 7.50 -0.04 0.08 115.11 125.77 1c9k h GLN 116 Ca 0.10 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.21 1c9k h GLN 116 Cb 0.17 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 1c9k h GLN 116 CO -0.01 0.37 0.08 0.82 -1.50 0.00 0.00 178.83 178.58 1c9k h ILE 117 N 0.57 1.07 -0.12 2.54 2.04 -1.11 -1.11 117.51 121.39 1c9k h ILE 117 Ca 0.40 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 66.11 1c9k h ILE 117 Cb 0.51 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1c9k h ILE 117 CO -0.33 0.07 -0.16 0.25 0.00 0.00 0.00 178.15 177.98 1c9k h LEU 118 N 0.13 -0.49 -0.69 1.44 5.85 -0.25 -0.25 115.31 121.05 1c9k h LEU 118 Ca 0.05 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1c9k h LEU 118 Cb 0.04 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1c9k h LEU 118 CO -0.01 -0.20 0.33 0.40 -0.34 0.00 0.00 178.44 178.61 1c9k h ILE 119 N -0.20 0.82 -0.24 4.05 2.04 -0.76 0.18 117.51 123.40 1c9k h ILE 119 Ca 0.09 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1c9k h ILE 119 Cb 0.33 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1c9k h ILE 119 CO -0.24 0.10 0.07 0.00 0.00 0.00 0.00 178.15 178.08 1c9k h ALA 120 N 1.44 0.26 0.27 1.87 0.00 -0.59 0.42 119.26 122.93 1c9k h ALA 120 Ca 0.35 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1c9k h ALA 120 Cb 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1c9k h ALA 120 CO -0.29 -0.34 -0.24 0.00 0.00 0.00 0.00 179.25 178.38 1c9k h ALA 121 N 1.15 -0.52 -0.72 0.00 0.00 0.50 0.63 119.26 120.31 1c9k h ALA 121 Ca 0.11 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1c9k h ALA 121 Cb 0.08 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1c9k h ALA 121 CO -0.12 -0.82 0.48 0.00 0.00 0.00 0.00 179.25 178.79 1c9k h GLN 123 N 0.54 0.90 -0.08 0.00 7.50 0.12 -2.94 115.11 121.15 1c9k h GLN 123 Ca 0.34 -0.30 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1c9k h GLN 123 Cb 0.59 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1c9k h GLN 123 CO -0.12 0.95 0.00 0.54 -1.50 0.00 0.00 178.83 178.70 1c9k n ARG 124 N -4.16 1.68 -3.23 1.46 1.74 0.08 -4.86 116.66 109.36 1c9k n ARG 124 Ca 0.02 -1.00 -0.41 0.00 -0.77 0.00 0.00 57.85 55.69 1c9k n ARG 124 Cb 0.37 -1.44 -0.08 0.00 -1.02 0.00 0.00 32.46 30.29 1c9k n ARG 124 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c9k h PRO 126 N 8.49 0.00 -7.36 0.00 0.14 -1.76 -3.44 132.00 128.06 1c9k h PRO 126 Ca -0.28 0.00 -0.50 0.00 0.14 0.00 0.00 66.00 65.36 1c9k h PRO 126 Cb 1.12 0.00 0.06 0.00 0.14 0.00 0.00 31.00 32.33 1c9k h PRO 126 CO 0.78 0.00 0.38 0.00 0.14 0.00 0.00 178.00 179.31 1c9k s ALA 127 N -3.61 3.06 0.14 -0.56 0.00 -1.24 -3.74 121.76 115.82 1c9k s ALA 127 Ca 0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1c9k s ALA 127 Cb 0.09 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.14 1c9k s ALA 127 CO 0.43 -0.83 1.24 0.21 0.00 0.00 0.00 175.76 176.81 1c9k s LYS 128 N -5.20 4.44 -0.10 0.00 2.20 -0.04 -4.90 119.74 116.15 1c9k s LYS 128 Ca 0.56 1.89 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1c9k s LYS 128 Cb -0.11 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1c9k s LYS 128 CO 0.52 -0.20 -0.08 0.08 -0.36 0.00 0.00 175.35 175.31 1c9k s VAL 129 N 0.43 0.97 -0.10 4.02 1.01 -1.26 -0.15 120.40 125.33 1c9k s VAL 129 Ca 0.56 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1c9k s VAL 129 Cb -0.33 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1c9k s VAL 129 CO 0.34 0.35 -0.13 -0.69 0.00 0.00 0.00 175.10 174.96 1c9k s VAL 130 N 1.45 3.06 -0.02 2.92 1.01 0.10 -1.54 120.40 127.38 1c9k s VAL 130 Ca -0.00 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1c9k s VAL 130 Cb -0.13 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1c9k s VAL 130 CO -0.05 0.55 -0.20 -0.76 0.00 0.00 0.00 175.10 174.64 1c9k s LEU 131 N -0.04 2.02 -0.22 3.92 1.43 -0.13 -0.43 118.68 125.24 1c9k s LEU 131 Ca -0.03 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1c9k s LEU 131 Cb -0.14 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1c9k s LEU 131 CO 0.04 0.23 0.03 -0.69 0.23 0.00 0.00 176.35 176.19 1c9k s VAL 132 N -0.39 4.09 0.31 -1.59 1.01 -0.90 -0.28 120.40 122.65 1c9k s VAL 132 Ca 0.06 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1c9k s VAL 132 Cb -0.08 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1c9k s VAL 132 CO -0.00 0.40 0.12 0.28 0.00 0.00 0.00 175.10 175.89 1c9k s THR 133 N 1.20 0.60 0.12 3.92 -1.32 0.15 -0.68 115.64 119.63 1c9k s THR 133 Ca 0.04 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.62 1c9k s THR 133 Cb -0.14 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.23 1c9k s THR 133 CO 0.02 0.00 -0.26 0.20 -2.21 0.00 0.00 174.62 172.37 1c9k s ASN 134 N -3.41 3.38 -0.30 8.08 -0.87 -1.26 -3.46 114.94 117.09 1c9k s ASN 134 Ca 0.35 -0.70 -0.19 0.00 -1.57 0.00 0.00 52.86 50.74 1c9k s ASN 134 Cb 0.06 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.25 41.00 1c9k s ASN 134 CO 0.15 0.19 0.58 -1.61 -2.57 0.00 0.00 177.10 173.84 1c9k s GLU 135 N -1.95 3.91 -0.05 -0.60 0.41 -0.40 -4.83 118.70 115.18 1c9k s GLU 135 Ca 0.14 0.23 0.07 0.00 -0.41 0.00 0.00 54.97 55.01 1c9k s GLU 135 Cb -0.10 -3.72 0.11 0.00 -1.78 0.00 0.00 34.13 28.64 1c9k s GLU 135 CO 0.06 -0.52 1.00 1.33 -0.49 0.00 0.00 175.26 176.64 1c9k n VAL 136 N 5.33 0.83 -1.72 2.63 0.24 -1.26 -4.46 118.33 119.92 1c9k n VAL 136 Ca -0.02 -0.97 0.06 0.00 -2.04 0.00 0.00 64.34 61.36 1c9k n VAL 136 Cb 0.49 0.27 0.13 0.00 -1.47 0.00 0.00 33.84 33.26 1c9k n VAL 136 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1c9k n GLY 137 N -0.60 3.61 1.21 7.63 0.00 -1.26 -4.69 105.19 111.09 1c9k n GLY 137 Ca 0.06 -1.01 0.09 0.00 0.00 0.00 0.00 46.02 45.17 1c9k n GLY 137 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1c9k n MET 138 N -0.71 2.70 -1.78 1.61 1.56 -1.26 -4.93 117.12 114.31 1c9k n MET 138 Ca 0.13 -2.26 0.00 0.00 -0.27 0.00 0.00 57.70 55.30 1c9k n MET 138 Cb 0.78 -1.58 0.00 0.00 2.15 0.00 0.00 33.22 34.57 1c9k n MET 138 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1c9k n GLY 139 N 1.33 3.99 3.78 -5.12 0.00 -1.26 -5.13 105.19 102.77 1c9k n GLY 139 Ca 0.21 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1c9k n GLY 139 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1c9k s ILE 140 N -0.63 3.78 0.04 -0.61 1.10 -1.26 -4.97 121.20 118.65 1c9k s ILE 140 Ca 0.00 1.43 -0.35 0.00 -0.51 0.00 0.00 60.65 61.22 1c9k s ILE 140 Cb 0.00 -3.78 -0.14 0.00 0.15 0.00 0.00 42.46 38.69 1c9k s ILE 140 CO 0.00 0.08 1.61 0.52 -2.11 0.00 0.00 174.94 175.04 1c9k n VAL 141 N 0.21 0.16 -2.43 4.00 0.31 -1.26 -4.90 118.33 114.43 1c9k n VAL 141 Ca 0.04 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.92 1c9k n VAL 141 Cb 0.49 -1.41 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 1c9k n VAL 141 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1c9k s PRO 142 N 1.79 4.43 0.07 5.55 0.02 -1.26 -4.94 135.00 140.65 1c9k s PRO 142 Ca 0.85 1.76 -0.27 0.00 0.02 0.00 0.00 61.00 63.36 1c9k s PRO 142 Cb -0.79 -3.37 -0.17 0.00 0.02 0.00 0.00 34.50 30.19 1c9k s PRO 142 CO 0.46 -0.27 1.60 1.05 -0.33 0.00 0.00 177.00 179.51 1c9k h GLU 143 N 6.88 -0.39 -6.47 5.54 9.09 -1.99 -3.41 114.58 123.83 1c9k h GLU 143 Ca -0.41 0.03 -0.54 0.00 0.05 0.00 0.00 59.36 58.49 1c9k h GLU 143 Cb 1.21 0.09 0.04 0.00 -1.65 0.00 0.00 28.75 28.43 1c9k h GLU 143 CO 0.82 -0.21 1.11 -1.71 0.05 0.00 0.00 179.01 179.07 1c9k n ASN 144 N -5.23 3.96 -0.22 3.06 4.05 -1.26 -4.92 115.26 114.69 1c9k n ASN 144 Ca -0.10 0.98 -0.06 0.00 0.45 0.00 0.00 54.58 55.85 1c9k n ASN 144 Cb 0.20 -1.52 -0.01 0.00 1.23 0.00 0.00 39.78 39.68 1c9k n ASN 144 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1c9k h ARG 145 N 8.74 -0.17 0.01 1.20 2.43 -2.00 -1.00 114.38 123.59 1c9k h ARG 145 Ca -0.47 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1c9k h ARG 145 Cb 1.23 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1c9k h ARG 145 CO 0.94 -0.11 -0.01 1.25 -1.51 0.00 0.00 179.97 180.54 1c9k h LEU 146 N -0.17 -0.02 -0.69 3.80 6.46 -1.91 -2.29 115.31 120.49 1c9k h LEU 146 Ca 0.22 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 58.11 1c9k h LEU 146 Cb 0.56 0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 40.37 1c9k h LEU 146 CO -0.72 -0.01 -0.20 0.00 -0.62 0.00 0.00 178.44 176.90 1c9k n ALA 147 N -2.25 0.10 -0.17 1.25 0.00 -1.16 0.40 120.51 118.69 1c9k n ALA 147 Ca -0.00 0.74 -0.03 0.00 0.00 0.00 0.00 53.44 54.15 1c9k n ALA 147 Cb 0.01 -0.42 0.07 0.00 0.00 0.00 0.00 19.45 19.11 1c9k n ALA 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1c9k h ARG 148 N 0.00 0.40 -0.11 0.00 2.43 -1.04 0.20 114.38 116.25 1c9k h ARG 148 Ca 0.31 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.25 1c9k h ARG 148 Cb 0.48 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1c9k h ARG 148 CO -0.71 0.27 -0.75 0.45 -1.51 0.00 0.00 179.97 177.72 1c9k h HIS 149 N 0.41 0.80 -0.55 2.20 3.86 0.83 -2.81 115.15 119.90 1c9k h HIS 149 Ca 0.25 -0.35 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1c9k h HIS 149 Cb 0.25 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1c9k h HIS 149 CO -0.14 1.15 0.21 0.35 0.86 0.00 0.00 177.93 180.35 1c9k h PHE 150 N 0.40 0.81 -0.82 2.45 3.04 0.26 -0.22 116.94 122.87 1c9k h PHE 150 Ca -0.04 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 1c9k h PHE 150 Cb 1.36 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.58 1c9k h PHE 150 CO 0.06 0.64 0.50 -0.09 -2.02 0.00 0.00 178.31 177.40 1c9k h ARG 151 N 0.79 1.11 0.30 1.11 2.43 -0.86 0.57 114.38 119.83 1c9k h ARG 151 Ca 0.19 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1c9k h ARG 151 Cb 0.18 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1c9k h ARG 151 CO -0.02 0.78 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.64 1c9k h ASP 152 N 1.12 -0.34 -0.19 -3.80 5.19 -1.16 -1.97 116.42 115.27 1c9k h ASP 152 Ca 0.29 -0.15 0.05 0.00 -0.62 0.00 0.00 57.03 56.61 1c9k h ASP 152 Cb -0.05 0.09 -0.06 0.00 0.18 0.00 0.00 39.33 39.49 1c9k h ASP 152 CO -0.06 -0.02 -0.20 0.40 -3.12 0.00 0.00 179.24 176.24 1c9k h ILE 153 N -0.67 0.48 -0.50 0.35 2.04 -0.70 -1.82 117.51 116.70 1c9k h ILE 153 Ca -0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 1c9k h ILE 153 Cb 0.47 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 1c9k h ILE 153 CO 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.14 1c9k h ALA 154 N 0.84 0.39 -0.84 1.87 0.00 0.19 -1.10 119.26 120.61 1c9k h ALA 154 Ca 0.12 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1c9k h ALA 154 Cb 0.40 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 1c9k h ALA 154 CO -0.32 -0.42 0.48 0.78 0.00 0.00 0.00 179.25 179.77 1c9k h GLY 155 N 0.04 1.31 0.99 0.00 0.00 -0.68 0.02 103.07 104.76 1c9k h GLY 155 Ca 0.25 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1c9k h GLY 155 CO -0.48 0.13 -0.01 3.21 0.00 0.00 0.00 176.54 179.39 1c9k h ARG 156 N 0.80 0.83 -0.77 4.80 3.08 -0.47 -1.18 114.38 121.47 1c9k h ARG 156 Ca 0.41 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1c9k h ARG 156 Cb 0.38 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1c9k h ARG 156 CO -0.25 0.89 0.48 0.28 -1.07 0.00 0.00 179.97 180.29 1c9k h VAL 157 N 0.68 1.21 -0.24 2.04 2.07 -0.77 -2.24 116.25 118.99 1c9k h VAL 157 Ca 0.13 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1c9k h VAL 157 Cb 0.52 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1c9k h VAL 157 CO 0.03 0.22 0.08 0.78 0.02 0.00 0.00 177.57 178.69 1c9k h ASN 158 N 1.05 0.09 -0.23 0.57 2.35 -0.65 -0.27 115.58 118.49 1c9k h ASN 158 Ca 0.28 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.09 1c9k h ASN 158 Cb -0.06 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 1c9k h ASN 158 CO -0.05 0.08 0.00 1.56 -1.65 0.00 0.00 177.43 177.37 1c9k h GLN 159 N 0.19 0.07 0.01 0.81 4.20 -0.88 0.17 115.11 119.68 1c9k h GLN 159 Ca 0.10 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1c9k h GLN 159 Cb 0.07 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1c9k h GLN 159 CO -0.11 0.05 -0.14 0.00 -0.67 0.00 0.00 178.83 177.96 1c9k h ARG 160 N 0.07 -0.22 -0.32 1.46 3.08 -1.13 0.41 114.38 117.73 1c9k h ARG 160 Ca 0.11 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1c9k h ARG 160 Cb 0.14 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1c9k h ARG 160 CO -0.19 -0.15 0.15 -0.07 -1.07 0.00 0.00 179.97 178.64 1c9k h LEU 161 N -0.23 0.21 -0.48 3.04 3.38 -0.77 0.21 115.31 120.67 1c9k h LEU 161 Ca 0.04 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1c9k h LEU 161 Cb 0.29 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1c9k h LEU 161 CO -0.13 0.16 0.28 0.00 0.09 0.00 0.00 178.44 178.84 1c9k h ALA 162 N 1.17 0.61 -0.01 1.53 0.00 -0.35 0.35 119.26 122.57 1c9k h ALA 162 Ca 0.13 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1c9k h ALA 162 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1c9k h ALA 162 CO -0.10 -0.04 -0.16 0.00 0.00 0.00 0.00 179.25 178.96 1c9k h ALA 163 N 1.22 -0.18 -0.77 0.00 0.00 0.58 -2.25 119.26 117.86 1c9k h ALA 163 Ca 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1c9k h ALA 163 Cb 0.04 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1c9k h ALA 163 CO -0.10 -0.65 0.35 0.00 0.00 0.00 0.00 179.25 178.86 1c9k h ALA 164 N 0.69 1.00 -2.33 0.00 0.00 -0.14 -3.45 119.26 115.02 1c9k h ALA 164 Ca 0.05 -0.16 -0.59 0.00 0.00 0.00 0.00 54.91 54.21 1c9k h ALA 164 Cb 0.32 -0.30 0.15 0.00 0.00 0.00 0.00 17.79 17.96 1c9k h ALA 164 CO -0.16 0.58 -0.20 0.00 0.00 0.00 0.00 179.25 179.47 1c9k n ALA 165 N -2.40 -0.80 0.15 0.00 0.00 0.12 -4.88 120.51 112.70 1c9k n ALA 165 Ca 0.07 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1c9k n ALA 165 Cb 0.15 -1.90 0.06 0.00 0.00 0.00 0.00 19.45 17.76 1c9k n ALA 165 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1c9k h ASP 166 N 0.81 0.00 -3.74 0.00 3.32 -1.55 -3.46 116.42 111.81 1c9k h ASP 166 Ca -0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 1c9k h ASP 166 Cb 1.38 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.70 1c9k h ASP 166 CO 0.52 0.05 -0.11 -0.70 -1.72 0.00 0.00 179.24 177.27 1c9k s GLU 167 N -3.27 0.59 0.01 3.56 2.12 -0.98 -5.00 118.70 115.73 1c9k s GLU 167 Ca 0.02 0.79 0.06 0.00 0.36 0.00 0.00 54.97 56.20 1c9k s GLU 167 Cb 0.08 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 1c9k s GLU 167 CO 0.74 -0.09 -0.18 0.08 -0.54 0.00 0.00 175.26 175.27 1c9k s VAL 168 N 0.57 1.45 -0.01 3.70 1.01 -1.26 0.26 120.40 126.11 1c9k s VAL 168 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1c9k s VAL 168 Cb -0.04 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1c9k s VAL 168 CO -0.03 0.29 0.01 0.26 0.00 0.00 0.00 175.10 175.63 1c9k s TRP 169 N -0.58 0.11 -0.17 5.22 0.52 -0.40 -2.16 118.94 121.49 1c9k s TRP 169 Ca 0.06 0.04 -0.06 0.00 0.02 0.00 0.00 56.10 56.17 1c9k s TRP 169 Cb -0.08 -0.20 -0.04 0.00 -1.15 0.00 0.00 33.47 32.01 1c9k s TRP 169 CO 0.00 -0.06 0.03 -1.17 0.02 0.00 0.00 176.95 175.77 1c9k s LEU 170 N 0.62 3.62 -0.19 2.99 2.96 0.48 -1.08 118.68 128.09 1c9k s LEU 170 Ca -0.05 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1c9k s LEU 170 Cb -0.08 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1c9k s LEU 170 CO -0.02 0.17 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.36 1c9k s VAL 171 N 0.36 2.63 -0.11 1.68 1.01 -0.47 0.32 120.40 125.81 1c9k s VAL 171 Ca 0.01 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1c9k s VAL 171 Cb -0.13 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1c9k s VAL 171 CO 0.01 0.49 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 1c9k s VAL 172 N 1.28 1.69 -1.62 2.92 1.01 0.75 -4.37 120.40 122.06 1c9k s VAL 172 Ca 0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1c9k s VAL 172 Cb -0.14 -1.51 0.12 0.00 0.00 0.00 0.00 36.38 34.85 1c9k s VAL 172 CO -0.07 0.48 0.89 -1.20 0.00 0.00 0.00 175.10 175.20 1c9k n SER 173 N 4.01 -4.10 0.00 3.32 7.64 -1.25 0.69 113.62 123.92 1c9k n SER 173 Ca -0.20 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1c9k n SER 173 Cb 0.52 -3.35 0.00 0.00 -1.01 0.00 0.00 64.21 60.37 1c9k n SER 173 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c9k n GLY 174 N -1.55 0.64 3.44 0.23 0.00 0.21 -4.99 105.19 103.17 1c9k n GLY 174 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1c9k n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c9k s ILE 175 N -2.75 4.70 0.12 -0.61 1.01 0.22 -4.97 121.20 118.92 1c9k s ILE 175 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 1c9k s ILE 175 Cb 0.00 -3.45 -0.08 0.00 0.01 0.00 0.00 42.46 38.95 1c9k s ILE 175 CO 0.00 -0.01 1.32 -0.83 0.00 0.00 0.00 174.94 175.42 1c9k s GLY 176 N 1.62 2.19 -0.21 6.18 0.00 -1.26 -0.18 107.32 115.66 1c9k s GLY 176 Ca 0.04 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.82 1c9k s GLY 176 CO 0.07 2.21 -0.06 0.14 0.00 0.00 0.00 173.10 175.45 1c9k s VAL 177 N 0.86 1.43 -0.45 1.40 1.01 0.94 -4.95 120.40 120.65 1c9k s VAL 177 Ca 0.61 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 1c9k s VAL 177 Cb -0.35 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1c9k s VAL 177 CO 0.32 0.01 1.08 -0.75 0.00 0.00 0.00 175.10 175.76 1c9k s LYS 178 N 1.46 3.73 -0.01 2.72 2.20 -1.26 0.18 119.74 128.77 1c9k s LYS 178 Ca -0.03 0.54 0.22 0.00 -0.36 0.00 0.00 55.97 56.34 1c9k s LYS 178 Cb -0.17 -3.89 -0.24 0.00 -1.51 0.00 0.00 37.83 32.02 1c9k s LYS 178 CO -0.07 -1.27 0.78 0.44 -0.36 0.00 0.00 175.35 174.86 1c9k n ILE 179 N 6.61 0.01 -1.45 5.43 -5.35 -0.92 -4.96 119.36 118.73 1c9k n ILE 179 Ca 0.11 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1c9k n ILE 179 Cb 0.49 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1c9k n ILE 179 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96