#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9l n GLY 2 N 0.00 0.72 1.76 3.03 0.00 -1.26 -4.67 105.19 104.77 1x9l n GLY 2 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 1x9l n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x9l n HIS 3 N 0.00 1.99 -1.55 1.61 -0.00 -1.26 -5.07 115.22 110.95 1x9l n HIS 3 Ca 0.00 -1.03 -0.13 0.00 -0.00 0.00 0.00 57.72 56.55 1x9l n HIS 3 Cb 0.00 -0.60 -0.10 0.00 -0.00 0.00 0.00 29.99 29.29 1x9l n HIS 3 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1x9l n THR 4 N -0.12 0.00 0.00 1.59 5.66 -1.26 -3.38 114.28 116.77 1x9l n THR 4 Ca 0.33 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1x9l n THR 4 Cb 1.19 -1.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 1x9l n THR 4 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1x9l n MET 5 N 8.24 1.18 0.00 1.09 -0.00 -1.25 0.73 117.12 127.11 1x9l n MET 5 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.13 1x9l n MET 5 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.66 1x9l n MET 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1x9l n PRO 6 N 0.00 0.00 0.00 3.17 -0.04 -1.26 -4.78 135.00 132.09 1x9l n PRO 6 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1x9l n PRO 6 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1x9l n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 7 N 0.34 0.00 0.11 0.55 0.00 -1.26 -3.96 120.51 116.29 1x9l n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x9l n ALA 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x9l n ALA 7 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1x9l n HIS 8 N 0.00 -1.89 0.00 0.00 -0.00 -1.26 -4.69 115.22 107.38 1x9l n HIS 8 Ca 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 1x9l n HIS 8 Cb 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 1x9l n HIS 8 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1x9l n THR 9 N -3.36 0.00 0.00 0.61 -1.04 -1.22 -3.90 114.28 105.38 1x9l n THR 9 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1x9l n THR 9 Cb 0.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1x9l n THR 9 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1x9l n PRO 10 N -0.74 0.00 -0.14 -2.82 -0.02 -1.26 -4.73 135.00 125.29 1x9l n PRO 10 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1x9l n PRO 10 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1x9l n PRO 10 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1x9l n PRO 11 N 0.00 0.00 -2.17 0.52 -0.02 -1.26 -4.50 135.00 127.57 1x9l n PRO 11 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 1x9l n PRO 11 Cb 0.00 -0.17 0.03 0.00 -0.02 0.00 0.00 33.50 33.34 1x9l n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x9l n ALA 12 N 0.52 6.17 -0.98 3.55 0.00 -1.26 -4.99 120.51 123.52 1x9l n ALA 12 Ca 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 53.44 49.18 1x9l n ALA 12 Cb 0.03 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1x9l n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n GLN 13 N -0.43 0.00 -1.84 0.00 10.64 -1.26 -4.97 117.38 119.52 1x9l n GLN 13 Ca 0.50 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.58 1x9l n GLN 13 Cb 0.30 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.67 1x9l n GLN 13 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1x9l n THR 14 N -0.79 -0.27 -2.67 -0.39 5.66 -1.26 -4.79 114.28 109.77 1x9l n THR 14 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 1x9l n THR 14 Cb 0.00 -1.41 0.02 0.00 -1.55 0.00 0.00 70.33 67.39 1x9l n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l n ALA 15 N -0.49 3.71 -0.44 1.79 0.00 -1.26 -4.71 120.51 119.11 1x9l n ALA 15 Ca -0.10 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1x9l n ALA 15 Cb 0.48 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1x9l n ALA 15 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1x9l n PRO 16 N -0.13 0.00 -3.02 0.00 -0.02 -1.26 -0.99 135.00 129.58 1x9l n PRO 16 Ca 0.17 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.44 1x9l n PRO 16 Cb 0.76 -0.19 0.02 0.00 -0.02 0.00 0.00 33.50 34.07 1x9l n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x9l n ALA 17 N -1.33 -0.95 -3.81 3.55 0.00 -1.26 -4.70 120.51 112.00 1x9l n ALA 17 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1x9l n ALA 17 Cb 0.00 -3.18 -0.16 0.00 0.00 0.00 0.00 19.45 16.11 1x9l n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l s ALA 18 N -3.04 1.56 0.00 0.00 0.00 -0.16 -2.85 121.76 117.28 1x9l s ALA 18 Ca 0.28 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1x9l s ALA 18 Cb -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1x9l s ALA 18 CO 0.34 -1.35 0.00 0.94 0.00 0.00 0.00 175.76 175.69 1x9l n GLN 19 N 4.83 0.00 0.00 0.00 7.27 -1.26 -4.91 117.38 123.31 1x9l n GLN 19 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1x9l n GLN 19 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 1x9l n GLN 19 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1x9l n LYS 20 N 0.00 0.00 -1.14 3.69 4.81 -1.26 -5.13 118.16 119.13 1x9l n LYS 20 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1x9l n LYS 20 Cb 0.00 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.17 1x9l n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x9l s ALA 21 N 0.00 1.86 0.00 3.14 0.00 -1.13 -0.36 121.76 125.27 1x9l s ALA 21 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1x9l s ALA 21 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1x9l s ALA 21 CO 0.00 -2.25 0.00 0.41 0.00 0.00 0.00 175.76 173.92 1x9l n GLY 22 N 0.38 3.12 4.80 0.00 0.00 -1.26 -4.61 105.19 107.61 1x9l n GLY 22 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1x9l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l n ALA 23 N -0.75 0.00 0.00 4.61 0.00 0.51 -4.72 120.51 120.16 1x9l n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x9l n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x9l n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x9l n GLN 24 N 0.00 0.00 0.00 0.00 6.02 -1.26 -4.29 117.38 117.85 1x9l n GLN 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1x9l n GLN 24 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x9l n ALA 25 N 0.00 0.00 -2.74 -1.58 0.00 -1.26 -5.11 120.51 109.82 1x9l n ALA 25 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1x9l n ALA 25 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1x9l n ALA 25 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x9l s LEU 26 N 0.00 3.89 0.19 0.00 0.20 -0.87 -5.04 118.68 117.05 1x9l s LEU 26 Ca 0.00 -0.02 -0.32 0.00 0.69 0.00 0.00 54.13 54.48 1x9l s LEU 26 Cb 0.00 -2.06 -0.12 0.00 -0.43 0.00 0.00 46.19 43.58 1x9l s LEU 26 CO 0.00 0.00 1.70 -0.81 -0.29 0.00 0.00 176.35 176.96 1x9l n PRO 27 N 4.69 2.63 -1.29 0.98 -0.04 -1.26 -4.28 135.00 136.43 1x9l n PRO 27 Ca -0.15 0.95 -0.23 0.00 -0.04 0.00 0.00 63.50 64.03 1x9l n PRO 27 Cb 0.52 -2.78 -0.10 0.00 -0.04 0.00 0.00 33.50 31.10 1x9l n PRO 27 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1x9l n VAL 28 N 3.93 3.54 -2.72 0.52 0.24 -1.26 -3.87 118.33 118.71 1x9l n VAL 28 Ca 0.17 -2.39 -0.08 0.00 -2.04 0.00 0.00 64.34 59.99 1x9l n VAL 28 Cb 0.34 -1.99 0.10 0.00 -1.47 0.00 0.00 33.84 30.81 1x9l n VAL 28 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1x9l n THR 29 N 2.13 0.00 -1.60 3.34 5.66 -1.26 -3.79 114.28 118.76 1x9l n THR 29 Ca 0.52 -1.41 -0.41 0.00 -3.05 0.00 0.00 64.05 59.70 1x9l n THR 29 Cb 0.64 1.33 -0.01 0.00 -1.55 0.00 0.00 70.33 70.73 1x9l n THR 29 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1x9l n VAL 30 N 0.12 4.05 -4.37 1.08 3.14 -1.25 -4.87 118.33 116.24 1x9l n VAL 30 Ca 0.02 -3.01 -0.21 0.00 -2.96 0.00 0.00 64.34 58.18 1x9l n VAL 30 Cb 0.74 -2.56 -0.13 0.00 -1.06 0.00 0.00 33.84 30.83 1x9l n VAL 30 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1x9l s GLN 31 N 2.20 1.00 -0.78 1.45 2.00 -1.26 -4.91 119.66 119.36 1x9l s GLN 31 Ca 0.57 -0.84 -0.12 0.00 -2.00 0.00 0.00 55.36 52.97 1x9l s GLN 31 Cb 0.16 -1.05 0.20 0.00 0.80 0.00 0.00 33.01 33.13 1x9l s GLN 31 CO -0.07 0.26 0.70 0.20 -0.50 0.00 0.00 175.29 175.87 1x9l s GLY 32 N -1.28 2.61 0.38 2.59 0.00 -1.26 -4.98 107.32 105.38 1x9l s GLY 32 Ca 0.02 -3.28 -0.25 0.00 0.00 0.00 0.00 44.72 41.21 1x9l s GLY 32 CO 0.02 1.23 1.04 0.00 0.00 0.00 0.00 173.10 175.38 1x9l n ALA 33 N 3.94 0.21 -2.51 3.20 0.00 -1.26 -4.85 120.51 119.24 1x9l n ALA 33 Ca 0.12 0.28 -0.25 0.00 0.00 0.00 0.00 53.44 53.59 1x9l n ALA 33 Cb 0.45 -2.08 -0.14 0.00 0.00 0.00 0.00 19.45 17.68 1x9l n ALA 33 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x9l s THR 34 N -1.21 1.63 -0.02 0.00 -4.23 -1.14 -0.88 115.64 109.79 1x9l s THR 34 Ca 0.61 -1.26 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1x9l s THR 34 Cb -0.59 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 1x9l s THR 34 CO 0.58 0.13 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.91 1x9l s VAL 35 N -0.89 1.51 -0.46 2.29 1.01 0.21 -0.48 120.40 123.59 1x9l s VAL 35 Ca 0.07 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 1x9l s VAL 35 Cb -0.09 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1x9l s VAL 35 CO 0.02 0.43 1.04 0.00 0.00 0.00 0.00 175.10 176.59 1x9l s ALA 36 N -0.31 3.22 0.25 5.51 0.00 -1.03 -0.61 121.76 128.77 1x9l s ALA 36 Ca 0.04 -0.59 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 1x9l s ALA 36 Cb -0.09 -3.76 -0.14 0.00 0.00 0.00 0.00 23.12 19.13 1x9l s ALA 36 CO 0.00 -2.11 1.26 0.00 0.00 0.00 0.00 175.76 174.91 1x9l n ALA 37 N 7.46 0.41 0.00 0.00 0.00 -1.26 -4.39 120.51 122.73 1x9l n ALA 37 Ca 0.09 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1x9l n ALA 37 Cb 0.49 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1x9l n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x9l n VAL 38 N 1.28 0.00 -0.88 0.00 0.31 -1.26 -4.48 118.33 113.30 1x9l n VAL 38 Ca 0.11 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.12 1x9l n VAL 38 Cb 0.30 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.38 1x9l n VAL 38 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1x9l s PRO 39 N 0.00 1.28 -1.00 5.55 0.02 -1.26 -4.87 135.00 134.72 1x9l s PRO 39 Ca 0.00 1.66 -0.07 0.00 0.02 0.00 0.00 61.00 62.61 1x9l s PRO 39 Cb 0.00 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.69 1x9l s PRO 39 CO 0.00 -2.46 2.44 -0.35 -0.33 0.00 0.00 177.00 176.29 1x9l n PRO 40 N -3.81 2.46 -2.50 5.54 -0.04 -1.26 -3.64 135.00 131.75 1x9l n PRO 40 Ca 0.13 -1.57 -0.03 0.00 -0.04 0.00 0.00 63.50 61.99 1x9l n PRO 40 Cb 0.51 -2.47 0.09 0.00 -0.04 0.00 0.00 33.50 31.59 1x9l n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x9l n SER 41 N 3.81 -1.32 -0.43 3.54 2.88 -1.26 -5.07 113.62 115.77 1x9l n SER 41 Ca 0.52 -2.02 0.05 0.00 -1.33 0.00 0.00 58.87 56.10 1x9l n SER 41 Cb 0.23 0.72 -0.02 0.00 -0.75 0.00 0.00 64.21 64.39 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1x9l n ILE 42 N -0.90 -0.03 -0.34 2.46 5.41 -1.24 -4.51 119.36 120.22 1x9l n ILE 42 Ca -0.12 0.16 0.21 0.00 1.00 0.00 0.00 62.75 64.00 1x9l n ILE 42 Cb 0.78 -0.30 0.44 0.00 -0.71 0.00 0.00 39.64 39.84 1x9l n ILE 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 1x9l h ARG 43 N -0.41 0.44 -7.07 0.38 0.11 -1.98 -3.39 114.38 102.46 1x9l h ARG 43 Ca -0.03 -0.03 -0.56 0.00 0.10 0.00 0.00 59.98 59.47 1x9l h ARG 43 Cb 0.40 -0.10 0.17 0.00 1.11 0.00 0.00 29.97 31.55 1x9l h ARG 43 CO 0.02 0.29 0.36 -0.40 0.10 0.00 0.00 179.97 180.34 1x9l n ASP 44 N -4.92 1.44 -1.55 0.08 5.75 -1.26 -4.37 116.55 111.71 1x9l n ASP 44 Ca 0.29 0.75 -0.02 0.00 -0.01 0.00 0.00 54.79 55.80 1x9l n ASP 44 Cb 0.87 -1.50 0.01 0.00 -1.03 0.00 0.00 41.12 39.46 1x9l n ASP 44 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1x9l n THR 45 N -2.28 0.00 -3.83 2.12 5.66 -1.22 -4.50 114.28 110.22 1x9l n THR 45 Ca 0.15 -0.21 -0.09 0.00 -3.05 0.00 0.00 64.05 60.84 1x9l n THR 45 Cb 0.49 0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 1x9l n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l s ALA 46 N -1.29 -0.40 0.34 1.79 0.00 -1.26 -1.65 121.76 119.30 1x9l s ALA 46 Ca 0.05 -0.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 1x9l s ALA 46 Cb -0.01 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 23.74 1x9l s ALA 46 CO 0.02 -0.63 0.80 0.00 0.00 0.00 0.00 175.76 175.95 1x9l s ALA 47 N -3.89 3.25 -0.30 0.00 0.00 -0.43 -2.48 121.76 117.91 1x9l s ALA 47 Ca 0.10 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1x9l s ALA 47 Cb 0.03 -2.89 0.09 0.00 0.00 0.00 0.00 23.12 20.34 1x9l s ALA 47 CO -0.06 0.27 0.02 0.71 0.00 0.00 0.00 175.76 176.71 1x9l s TYR 48 N -1.98 2.90 0.11 0.00 1.51 0.36 -4.36 117.35 115.89 1x9l s TYR 48 Ca 0.55 -2.34 -0.04 0.00 -1.01 0.00 0.00 57.07 54.23 1x9l s TYR 48 Cb -0.11 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.53 1x9l s TYR 48 CO 0.17 -0.88 0.21 0.00 -1.11 0.00 0.00 175.55 173.93 1x9l n MET 49 N 4.51 0.30 -3.70 -0.62 0.00 -0.29 -2.89 117.12 114.43 1x9l n MET 49 Ca -0.03 -0.61 -0.14 0.00 0.00 0.00 0.00 57.70 56.92 1x9l n MET 49 Cb 0.42 0.75 -0.14 0.00 0.00 0.00 0.00 33.22 34.25 1x9l n MET 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1x9l s THR 50 N -2.74 -0.20 0.05 3.17 2.01 -1.26 -0.24 115.64 116.43 1x9l s THR 50 Ca 0.05 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 1x9l s THR 50 Cb -0.01 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 1x9l s THR 50 CO 0.03 0.10 0.92 -0.76 -0.69 0.00 0.00 174.62 174.22 1x9l s LEU 51 N 1.79 4.43 -0.46 4.42 1.02 -0.01 -4.65 118.68 125.22 1x9l s LEU 51 Ca -0.04 1.64 0.03 0.00 0.02 0.00 0.00 54.13 55.78 1x9l s LEU 51 Cb -0.11 -3.48 0.14 0.00 0.02 0.00 0.00 46.19 42.75 1x9l s LEU 51 CO -0.08 -0.13 0.27 -0.89 0.02 0.00 0.00 176.35 175.55 1x9l s THR 52 N 0.42 1.49 -0.03 5.49 2.01 -1.15 -2.14 115.64 121.73 1x9l s THR 52 Ca 0.47 -2.74 -0.30 0.00 0.31 0.00 0.00 61.69 59.43 1x9l s THR 52 Cb -0.22 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1x9l s THR 52 CO 0.27 -0.93 1.01 0.21 -0.69 0.00 0.00 174.62 174.50 1x9l s ASN 53 N 0.15 7.30 -0.36 3.53 3.84 -0.17 -3.98 114.94 125.25 1x9l s ASN 53 Ca 0.19 1.65 0.13 0.00 0.21 0.00 0.00 52.86 55.05 1x9l s ASN 53 Cb -0.20 -2.57 0.38 0.00 -0.55 0.00 0.00 41.25 38.31 1x9l s ASN 53 CO -0.03 -0.34 0.83 0.29 -2.79 0.00 0.00 177.10 175.06 1x9l n LYS 54 N 4.28 1.03 0.00 0.43 4.76 -1.26 -4.82 118.16 122.58 1x9l n LYS 54 Ca 0.07 -3.21 0.00 0.00 -2.87 0.00 0.00 58.31 52.30 1x9l n LYS 54 Cb 0.50 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1x9l n LYS 54 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x9l n SER 55 N 0.17 0.00 -2.70 4.39 7.64 -1.26 -2.04 113.62 119.82 1x9l n SER 55 Ca 0.19 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.99 1x9l n SER 55 Cb 0.71 0.03 0.04 0.00 -1.01 0.00 0.00 64.21 63.97 1x9l n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x9l n ASP 56 N -1.56 -5.44 -4.18 6.43 8.00 -1.26 -5.02 116.55 113.51 1x9l n ASP 56 Ca 0.00 -0.40 -0.15 0.00 0.71 0.00 0.00 54.79 54.96 1x9l n ASP 56 Cb 0.00 -3.85 -0.11 0.00 -0.02 0.00 0.00 41.12 37.14 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x9l s GLN 57 N -3.76 0.86 -1.30 -1.24 1.11 -1.26 -4.71 119.66 109.36 1x9l s GLN 57 Ca 0.25 -1.17 -0.17 0.00 0.01 0.00 0.00 55.36 54.27 1x9l s GLN 57 Cb -0.03 -0.55 0.03 0.00 -1.01 0.00 0.00 33.01 31.44 1x9l s GLN 57 CO 0.52 0.09 1.93 -0.35 0.01 0.00 0.00 175.29 177.49 1x9l n PRO 58 N 0.53 2.80 -2.99 2.91 -0.04 -1.26 -1.58 135.00 135.37 1x9l n PRO 58 Ca -0.16 -2.87 -0.34 0.00 -0.04 0.00 0.00 63.50 60.09 1x9l n PRO 58 Cb 0.58 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.56 1x9l n PRO 58 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x9l s ILE 59 N 4.63 4.50 -0.32 0.52 1.09 -0.93 -4.88 121.20 125.82 1x9l s ILE 59 Ca 0.53 1.31 -0.00 0.00 -1.10 0.00 0.00 60.65 61.39 1x9l s ILE 59 Cb 0.08 -3.73 0.10 0.00 -1.06 0.00 0.00 42.46 37.85 1x9l s ILE 59 CO 0.03 -0.07 0.10 -1.59 -0.10 0.00 0.00 174.94 173.31 1x9l s LYS 60 N -2.64 0.83 -0.20 2.79 0.00 -1.26 -0.37 119.74 118.89 1x9l s LYS 60 Ca 0.53 -1.21 -0.27 0.00 0.00 0.00 0.00 55.97 55.02 1x9l s LYS 60 Cb -0.13 -2.16 -0.00 0.00 0.00 0.00 0.00 37.83 35.54 1x9l s LYS 60 CO 0.18 -0.99 0.92 -1.17 0.00 0.00 0.00 175.35 174.29 1x9l s LEU 61 N 1.48 4.13 -0.36 2.77 1.98 -1.25 -1.46 118.68 125.97 1x9l s LEU 61 Ca 0.10 1.24 0.14 0.00 -2.89 0.00 0.00 54.13 52.72 1x9l s LEU 61 Cb -0.18 -3.36 0.40 0.00 0.66 0.00 0.00 46.19 43.72 1x9l s LEU 61 CO -0.22 -0.53 0.93 0.55 -1.89 0.00 0.00 176.35 175.19 1x9l n VAL 62 N 5.06 0.40 -3.54 1.68 3.14 -0.40 -3.89 118.33 120.78 1x9l n VAL 62 Ca 0.08 -3.29 -0.16 0.00 -2.96 0.00 0.00 64.34 58.01 1x9l n VAL 62 Cb 0.47 0.45 -0.06 0.00 -1.06 0.00 0.00 33.84 33.64 1x9l n VAL 62 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1x9l s GLY 63 N -2.53 -0.49 -0.44 7.55 0.00 -0.75 -4.67 107.32 106.00 1x9l s GLY 63 Ca 0.31 1.57 0.07 0.00 0.00 0.00 0.00 44.72 46.67 1x9l s GLY 63 CO -0.02 1.06 1.05 0.00 0.00 0.00 0.00 173.10 175.18 1x9l n ALA 64 N 1.04 -0.26 -2.06 3.20 0.00 -1.25 -3.42 120.51 117.76 1x9l n ALA 64 Ca -0.16 -1.83 -0.38 0.00 0.00 0.00 0.00 53.44 51.07 1x9l n ALA 64 Cb 0.57 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 1x9l n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l s ALA 65 N -0.24 3.45 -0.18 0.00 0.00 0.16 -4.76 121.76 120.19 1x9l s ALA 65 Ca 0.25 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1x9l s ALA 65 Cb 0.30 -2.86 0.13 0.00 0.00 0.00 0.00 23.12 20.69 1x9l s ALA 65 CO -0.06 0.32 1.03 -0.08 0.00 0.00 0.00 175.76 176.97 1x9l s THR 66 N -1.31 0.00 0.00 0.00 -1.32 -1.26 -0.24 115.64 111.51 1x9l s THR 66 Ca 0.38 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.82 1x9l s THR 66 Cb -0.20 -1.00 -0.21 0.00 -1.51 0.00 0.00 72.50 69.59 1x9l s THR 66 CO 0.23 0.00 2.92 -0.81 -2.21 0.00 0.00 174.62 174.75 1x9l n PRO 67 N 0.83 1.55 0.00 7.08 -0.04 -1.26 -3.90 135.00 139.26 1x9l n PRO 67 Ca -0.10 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 1x9l n PRO 67 Cb 0.58 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1x9l n PRO 67 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1x9l n LEU 68 N 2.57 0.00 -4.65 1.53 -0.00 -1.26 -4.82 117.00 110.36 1x9l n LEU 68 Ca 0.33 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 56.03 1x9l n LEU 68 Cb 0.71 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.04 1x9l n LEU 68 CO 0.14 -0.47 -0.35 0.00 -0.00 0.00 0.00 177.39 176.71 1x9l s ALA 69 N -2.00 3.19 0.03 1.96 0.00 -1.25 -0.58 121.76 123.10 1x9l s ALA 69 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 1x9l s ALA 69 Cb 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 23.12 21.64 1x9l s ALA 69 CO 0.00 0.66 0.95 1.15 0.00 0.00 0.00 175.76 178.52 1x9l h THR 70 N 3.28 1.26 -2.64 0.00 2.02 -0.23 -3.43 112.91 113.19 1x9l h THR 70 Ca -0.48 -2.85 -0.61 0.00 0.77 0.00 0.00 66.41 63.24 1x9l h THR 70 Cb 1.17 2.86 -0.42 0.00 -1.74 0.00 0.00 68.15 70.02 1x9l h THR 70 CO 0.57 0.84 -0.59 -0.24 0.37 0.00 0.00 175.52 176.47 1x9l n SER 71 N -3.53 3.32 -4.56 4.18 2.88 0.52 -5.02 113.62 111.42 1x9l n SER 71 Ca -0.15 -3.31 -0.40 0.00 -1.33 0.00 0.00 58.87 53.68 1x9l n SER 71 Cb 1.05 -0.71 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 1x9l n SER 71 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1x9l s PRO 72 N -1.94 3.03 -0.16 -1.46 0.04 -1.26 -1.70 135.00 131.54 1x9l s PRO 72 Ca 0.32 0.19 -0.04 0.00 0.04 0.00 0.00 61.00 61.52 1x9l s PRO 72 Cb 0.05 -4.24 -0.02 0.00 0.04 0.00 0.00 34.50 30.33 1x9l s PRO 72 CO -0.09 -2.30 -0.04 -1.64 0.04 0.00 0.00 177.00 172.97 1x9l s MET 73 N 6.12 3.63 0.24 4.56 -1.94 0.21 -4.83 119.30 127.28 1x9l s MET 73 Ca 0.49 -0.54 -0.25 0.00 -1.71 0.00 0.00 55.69 53.68 1x9l s MET 73 Cb -0.10 -2.92 -0.09 0.00 2.01 0.00 0.00 34.83 33.73 1x9l s MET 73 CO 0.19 0.18 0.84 -0.51 -0.01 0.00 0.00 175.02 175.71 1x9l s LEU 74 N 0.52 4.48 0.02 -0.03 1.43 -1.26 0.12 118.68 123.96 1x9l s LEU 74 Ca -0.03 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1x9l s LEU 74 Cb -0.14 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.47 1x9l s LEU 74 CO 0.03 0.08 0.25 -0.32 0.23 0.00 0.00 176.35 176.62 1x9l s MET 75 N -1.60 0.70 -0.31 1.70 1.75 0.22 -3.13 119.30 118.64 1x9l s MET 75 Ca 0.42 -0.46 0.06 0.00 -1.25 0.00 0.00 55.69 54.46 1x9l s MET 75 Cb -0.21 0.30 0.19 0.00 2.84 0.00 0.00 34.83 37.96 1x9l s MET 75 CO 0.25 -0.21 0.57 -0.08 -0.65 0.00 0.00 175.02 174.91 1x9l s THR 76 N -2.13 -0.96 -0.38 10.11 -1.32 -1.22 -0.70 115.64 119.04 1x9l s THR 76 Ca -0.08 -0.04 0.12 0.00 -1.21 0.00 0.00 61.69 60.48 1x9l s THR 76 Cb -0.03 -0.87 0.36 0.00 -1.51 0.00 0.00 72.50 70.45 1x9l s THR 76 CO -0.01 -0.04 0.75 1.07 -2.21 0.00 0.00 174.62 174.19 1x9l n THR 77 N 5.27 0.06 -3.69 5.08 5.66 -1.19 -0.20 114.28 125.26 1x9l n THR 77 Ca 0.05 -4.57 -0.12 0.00 -3.05 0.00 0.00 64.05 56.37 1x9l n THR 77 Cb 0.54 -0.27 -0.13 0.00 -1.55 0.00 0.00 70.33 68.92 1x9l n THR 77 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1x9l s THR 78 N -2.58 -0.24 -1.36 1.09 2.01 -0.01 -3.87 115.64 110.68 1x9l s THR 78 Ca 0.40 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.48 1x9l s THR 78 Cb 0.35 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 72.35 1x9l s THR 78 CO -0.08 0.08 2.49 1.41 -0.69 0.00 0.00 174.62 177.83 1x9l n HIS 79 N 4.79 2.52 0.00 4.92 -0.00 -1.26 -0.43 115.22 125.76 1x9l n HIS 79 Ca -0.16 -2.73 0.00 0.00 -0.00 0.00 0.00 57.72 54.83 1x9l n HIS 79 Cb 0.52 -2.29 0.00 0.00 -0.00 0.00 0.00 29.99 28.22 1x9l n HIS 79 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1x9l n SER 80 N 4.88 0.00 -2.76 0.41 2.88 -1.26 -5.11 113.62 112.66 1x9l n SER 80 Ca 0.62 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1x9l n SER 80 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1x9l n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x9l n GLY 81 N 0.00 0.93 0.18 0.46 0.00 0.43 -4.74 105.19 102.45 1x9l n GLY 81 Ca 0.00 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1x9l n GLY 81 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x9l h GLY 82 N 0.00 -0.30 0.00 -0.02 0.00 -1.86 -3.48 103.07 97.41 1x9l h GLY 82 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1x9l h GLY 82 CO 0.00 -0.14 0.00 1.03 0.00 0.00 0.00 176.54 177.43 1x9l n MET 83 N -5.26 0.00 -2.43 4.80 2.00 -1.26 -4.93 117.12 110.04 1x9l n MET 83 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.47 1x9l n MET 83 Cb 0.18 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.42 1x9l n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x9l n ALA 84 N -3.00 4.06 -3.36 3.04 0.00 -1.17 -0.83 120.51 119.24 1x9l n ALA 84 Ca 0.00 -3.47 -0.13 0.00 0.00 0.00 0.00 53.44 49.84 1x9l n ALA 84 Cb 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 1x9l n ALA 84 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x9l s GLY 85 N -3.59 -0.34 -1.39 0.00 0.00 0.72 -4.91 107.32 97.81 1x9l s GLY 85 Ca 0.40 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 45.19 1x9l s GLY 85 CO -0.02 2.75 2.56 -0.13 0.00 0.00 0.00 173.10 178.25 1x9l n MET 86 N 5.34 3.04 -4.34 2.90 1.56 -1.25 -3.46 117.12 120.90 1x9l n MET 86 Ca -0.02 -2.12 -0.18 0.00 -0.27 0.00 0.00 57.70 55.11 1x9l n MET 86 Cb 0.48 -2.85 -0.10 0.00 2.15 0.00 0.00 33.22 32.90 1x9l n MET 86 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 1x9l s LYS 87 N 2.85 1.40 -1.36 2.12 -2.85 -1.26 -4.95 119.74 115.69 1x9l s LYS 87 Ca 0.58 -1.73 -0.16 0.00 -1.00 0.00 0.00 55.97 53.66 1x9l s LYS 87 Cb 0.15 -0.58 0.05 0.00 -2.06 0.00 0.00 37.83 35.39 1x9l s LYS 87 CO -0.05 -0.15 1.95 -1.33 0.10 0.00 0.00 175.35 175.87 1x9l n MET 88 N -0.47 3.00 -1.05 1.78 2.81 -1.26 -4.41 117.12 117.53 1x9l n MET 88 Ca -0.04 -2.96 -0.30 0.00 -1.81 0.00 0.00 57.70 52.59 1x9l n MET 88 Cb 0.65 -3.41 0.15 0.00 -0.71 0.00 0.00 33.22 29.90 1x9l n MET 88 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1x9l s VAL 89 N 3.94 2.61 0.18 2.03 -7.23 -1.18 -4.94 120.40 115.80 1x9l s VAL 89 Ca 0.51 0.20 -0.18 0.00 -1.81 0.00 0.00 61.98 60.70 1x9l s VAL 89 Cb 0.08 -2.55 0.13 0.00 0.56 0.00 0.00 36.38 34.60 1x9l s VAL 89 CO 0.01 -0.26 1.34 -0.81 -0.31 0.00 0.00 175.10 175.07 1x9l n PRO 90 N -4.00 -0.25 -3.37 4.82 -0.04 -1.26 -4.64 135.00 126.26 1x9l n PRO 90 Ca 0.08 1.32 0.00 0.00 -0.04 0.00 0.00 63.50 64.86 1x9l n PRO 90 Cb 0.54 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1x9l n PRO 90 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x9l n TRP 91 N -5.22 0.00 -3.91 0.54 2.14 -1.26 -4.92 117.44 104.82 1x9l n TRP 91 Ca 0.07 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.34 1x9l n TRP 91 Cb 0.31 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.65 1x9l n TRP 91 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 1x9l s LEU 92 N 0.00 2.16 0.09 5.67 2.34 -1.25 -4.93 118.68 122.77 1x9l s LEU 92 Ca 0.00 -1.00 -0.30 0.00 0.06 0.00 0.00 54.13 52.89 1x9l s LEU 92 Cb 0.00 -1.05 -0.06 0.00 -0.56 0.00 0.00 46.19 44.52 1x9l s LEU 92 CO 0.00 -0.22 1.09 -0.89 -1.06 0.00 0.00 176.35 175.27 1x9l s THR 93 N 1.50 4.22 -0.52 5.48 2.01 -1.26 -3.83 115.64 123.23 1x9l s THR 93 Ca -0.03 1.71 -0.15 0.00 0.31 0.00 0.00 61.69 63.53 1x9l s THR 93 Cb -0.18 -4.10 0.12 0.00 0.01 0.00 0.00 72.50 68.36 1x9l s THR 93 CO -0.07 0.20 0.46 0.27 -0.69 0.00 0.00 174.62 174.79 1x9l s ILE 94 N 0.49 5.07 -1.49 1.82 -4.36 0.50 -4.75 121.20 118.49 1x9l s ILE 94 Ca 0.53 -1.46 -0.13 0.00 -0.26 0.00 0.00 60.65 59.33 1x9l s ILE 94 Cb -0.27 -4.22 0.02 0.00 1.25 0.00 0.00 42.46 39.24 1x9l s ILE 94 CO 0.31 -0.80 2.38 -0.81 0.24 0.00 0.00 174.94 176.25 1x9l n PRO 95 N 5.19 3.10 -1.36 0.37 -0.04 -1.26 -2.20 135.00 138.80 1x9l n PRO 95 Ca -0.13 -2.57 0.18 0.00 -0.04 0.00 0.00 63.50 60.94 1x9l n PRO 95 Cb 0.41 -3.16 -0.05 0.00 -0.04 0.00 0.00 33.50 30.66 1x9l n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 96 N 5.38 -3.66 -3.17 0.55 0.00 -0.62 -4.81 120.51 114.19 1x9l n ALA 96 Ca 0.57 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 54.33 1x9l n ALA 96 Cb 0.35 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1x9l n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x9l n ARG 97 N -4.03 -2.02 -0.60 0.00 5.12 -1.26 -4.81 116.66 109.05 1x9l n ARG 97 Ca -0.00 0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.55 1x9l n ARG 97 Cb 0.66 -4.31 -0.12 0.00 -1.16 0.00 0.00 32.46 27.53 1x9l n ARG 97 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x9l n GLY 98 N -0.69 0.44 2.77 -0.13 0.00 -1.26 -4.66 105.19 101.66 1x9l n GLY 98 Ca 0.04 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1x9l n GLY 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x9l n THR 99 N 7.19 3.96 -4.08 2.61 -1.04 -1.24 -0.99 114.28 120.69 1x9l n THR 99 Ca 0.46 -5.45 -0.25 0.00 -2.04 0.00 0.00 64.05 56.78 1x9l n THR 99 Cb 0.42 -1.41 -0.05 0.00 -1.82 0.00 0.00 70.33 67.48 1x9l n THR 99 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1x9l s LEU 100 N -3.82 3.86 -0.25 -4.42 0.05 -0.91 -4.94 118.68 108.26 1x9l s LEU 100 Ca 0.46 -0.14 -0.01 0.00 0.05 0.00 0.00 54.13 54.49 1x9l s LEU 100 Cb 0.29 -2.44 0.03 0.00 -2.05 0.00 0.00 46.19 42.02 1x9l s LEU 100 CO -0.18 0.03 -0.07 -0.89 -0.55 0.00 0.00 176.35 174.70 1x9l s THR 101 N -1.86 2.84 -0.56 5.48 2.01 -1.26 -0.83 115.64 121.46 1x9l s THR 101 Ca 0.32 -1.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.03 1x9l s THR 101 Cb -0.09 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 70.01 1x9l s THR 101 CO 0.24 0.21 1.08 -0.76 -0.69 0.00 0.00 174.62 174.71 1x9l s LEU 102 N 1.32 3.73 0.07 4.42 1.02 0.67 -4.55 118.68 125.35 1x9l s LEU 102 Ca 0.00 -0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.12 1x9l s LEU 102 Cb -0.17 -3.06 -0.04 0.00 0.02 0.00 0.00 46.19 42.95 1x9l s LEU 102 CO -0.05 -1.36 -0.06 0.00 0.02 0.00 0.00 176.35 174.91 1x9l s GLN 103 N 4.50 0.66 0.32 1.70 -2.07 0.13 -1.13 119.66 123.77 1x9l s GLN 103 Ca 0.38 -1.10 0.10 0.00 -1.82 0.00 0.00 55.36 52.92 1x9l s GLN 103 Cb -0.09 -0.12 0.92 0.00 -1.09 0.00 0.00 33.01 32.63 1x9l s GLN 103 CO 0.23 -0.02 1.71 -0.09 -1.32 0.00 0.00 175.29 175.80 1x9l h ARG 104 N 3.54 0.48 -1.38 9.60 2.43 -1.81 0.07 114.38 127.31 1x9l h ARG 104 Ca -0.35 -0.03 -0.46 0.00 -0.81 0.00 0.00 59.98 58.33 1x9l h ARG 104 Cb 1.17 -0.11 -0.41 0.00 -0.42 0.00 0.00 29.97 30.21 1x9l h ARG 104 CO 0.57 0.32 -1.02 -3.47 -1.51 0.00 0.00 179.97 174.85 1x9l n ASP 105 N -4.95 2.55 -2.71 -3.80 2.03 -1.26 -4.88 116.55 103.52 1x9l n ASP 105 Ca 0.28 -3.12 -0.07 0.00 0.52 0.00 0.00 54.79 52.40 1x9l n ASP 105 Cb 0.80 -0.52 0.08 0.00 -0.72 0.00 0.00 41.12 40.76 1x9l n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x9l n GLY 106 N -0.15 -0.30 1.32 0.27 0.00 0.01 -4.96 105.19 101.37 1x9l n GLY 106 Ca 0.21 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1x9l n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x9l n ASP 107 N 0.86 -7.31 0.00 1.61 -0.08 -1.25 -3.55 116.55 106.83 1x9l n ASP 107 Ca 0.04 1.01 0.00 0.00 -1.51 0.00 0.00 54.79 54.32 1x9l n ASP 107 Cb 0.70 -3.63 0.00 0.00 2.34 0.00 0.00 41.12 40.52 1x9l n ASP 107 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x9l n HIS 108 N -0.49 0.00 -4.08 -0.67 1.44 0.12 0.17 115.22 111.71 1x9l n HIS 108 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1x9l n HIS 108 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 1x9l n HIS 108 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1x9l s VAL 109 N -2.08 3.56 -0.69 0.61 1.01 -1.26 -0.61 120.40 120.94 1x9l s VAL 109 Ca 0.00 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 1x9l s VAL 109 Cb 0.00 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.82 1x9l s VAL 109 CO 0.00 0.44 1.14 -0.04 0.00 0.00 0.00 175.10 176.63 1x9l s MET 110 N 1.16 3.18 -1.31 2.72 -1.94 0.12 -1.31 119.30 121.92 1x9l s MET 110 Ca 0.02 -0.46 -0.17 0.00 -1.71 0.00 0.00 55.69 53.38 1x9l s MET 110 Cb -0.15 -4.19 0.02 0.00 2.01 0.00 0.00 34.83 32.53 1x9l s MET 110 CO -0.00 -1.97 2.00 1.28 -0.01 0.00 0.00 175.02 176.32 1x9l n LEU 111 N 8.59 5.60 -4.86 -0.03 4.77 -0.66 -0.62 117.00 129.78 1x9l n LEU 111 Ca 0.00 -3.85 -0.31 0.00 -0.03 0.00 0.00 56.01 51.82 1x9l n LEU 111 Cb 0.47 -1.64 -0.04 0.00 -2.33 0.00 0.00 43.42 39.89 1x9l n LEU 111 CO 0.68 0.38 0.49 -0.32 -1.33 0.00 0.00 177.39 177.30 1x9l s MET 112 N 4.01 3.86 -0.35 3.23 1.75 -0.69 -3.42 119.30 127.68 1x9l s MET 112 Ca 0.52 0.61 -0.02 0.00 -1.25 0.00 0.00 55.69 55.56 1x9l s MET 112 Cb 0.09 -2.34 -0.02 0.00 2.84 0.00 0.00 34.83 35.40 1x9l s MET 112 CO 0.01 -0.06 0.31 0.41 -0.65 0.00 0.00 175.02 175.04 1x9l n GLY 113 N -1.20 0.20 3.65 2.11 0.00 -1.26 -0.35 105.19 108.32 1x9l n GLY 113 Ca 0.04 0.01 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 1x9l n GLY 113 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x9l n LEU 114 N -2.07 2.63 0.00 0.99 0.00 -1.26 -0.18 117.00 117.11 1x9l n LEU 114 Ca -0.02 1.08 0.00 0.00 0.00 0.00 0.00 56.01 57.07 1x9l n LEU 114 Cb 0.54 -1.33 0.00 0.00 0.00 0.00 0.00 43.42 42.63 1x9l n LEU 114 CO 0.20 -0.52 0.08 0.29 0.00 0.00 0.00 177.39 177.44 1x9l n LYS 115 N 3.52 0.00 -4.36 1.96 4.01 0.25 -4.85 118.16 118.70 1x9l n LYS 115 Ca 0.18 0.35 -0.25 0.00 -0.51 0.00 0.00 58.31 58.08 1x9l n LYS 115 Cb 0.25 -0.94 -0.09 0.00 -0.51 0.00 0.00 35.03 33.73 1x9l n LYS 115 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1x9l s ARG 116 N -1.00 1.92 0.49 1.97 0.52 -1.26 -5.10 118.95 116.48 1x9l s ARG 116 Ca 0.00 -1.47 -0.24 0.00 -0.52 0.00 0.00 55.73 53.50 1x9l s ARG 116 Cb 0.00 -2.01 -0.07 0.00 0.52 0.00 0.00 34.95 33.39 1x9l s ARG 116 CO 0.00 0.39 1.40 -1.25 0.02 0.00 0.00 175.30 175.86 1x9l s PRO 117 N -3.16 3.48 0.01 3.54 0.04 -1.26 -5.02 135.00 132.64 1x9l s PRO 117 Ca 0.27 2.34 0.08 0.00 0.04 0.00 0.00 61.00 63.73 1x9l s PRO 117 Cb -0.07 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1x9l s PRO 117 CO 0.15 -0.95 -0.23 -0.51 0.04 0.00 0.00 177.00 175.50 1x9l s LEU 118 N -3.02 2.31 -0.17 -3.56 1.43 -1.26 -5.13 118.68 109.28 1x9l s LEU 118 Ca 0.65 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1x9l s LEU 118 Cb -0.42 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1x9l s LEU 118 CO 0.53 0.29 -0.00 -0.54 0.23 0.00 0.00 176.35 176.86 1x9l s LYS 119 N -1.02 3.75 -0.39 1.70 3.01 -1.26 -4.93 119.74 120.59 1x9l s LYS 119 Ca 0.12 -0.47 -0.31 0.00 -1.01 0.00 0.00 55.97 54.30 1x9l s LYS 119 Cb -0.10 -3.03 -0.10 0.00 -1.01 0.00 0.00 37.83 33.59 1x9l s LYS 119 CO 0.02 0.21 2.28 0.28 0.51 0.00 0.00 175.35 178.65 1x9l n VAL 120 N 3.66 0.16 0.00 3.17 0.31 -1.25 -0.73 118.33 123.64 1x9l n VAL 120 Ca -0.17 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1x9l n VAL 120 Cb 0.52 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1x9l n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x9l n GLY 121 N 6.26 1.72 3.51 2.92 0.00 0.53 -4.98 105.19 115.15 1x9l n GLY 121 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 1x9l n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x9l n GLU 122 N 0.00 -2.56 -3.68 1.61 2.13 0.09 -4.82 120.64 113.41 1x9l n GLU 122 Ca 0.00 -1.79 -0.09 0.00 0.66 0.00 0.00 57.16 55.94 1x9l n GLU 122 Cb 0.00 -1.52 -0.10 0.00 0.27 0.00 0.00 31.44 30.09 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1x9l s THR 123 N -3.19 -0.04 0.05 6.31 2.01 -1.26 -0.70 115.64 118.81 1x9l s THR 123 Ca 0.70 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.83 1x9l s THR 123 Cb -0.05 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1x9l s THR 123 CO 0.53 0.03 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.62 1x9l s VAL 124 N 1.52 1.42 0.36 3.82 1.01 -0.07 -4.94 120.40 123.51 1x9l s VAL 124 Ca -0.09 -1.14 -0.26 0.00 0.00 0.00 0.00 61.98 60.48 1x9l s VAL 124 Cb -0.07 -1.26 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 1x9l s VAL 124 CO -0.15 0.09 1.09 0.20 0.00 0.00 0.00 175.10 176.33 1x9l s ASN 125 N -1.23 6.89 -0.03 3.32 -0.87 -1.26 -0.39 114.94 121.36 1x9l s ASN 125 Ca 0.05 2.19 0.06 0.00 -1.57 0.00 0.00 52.86 53.59 1x9l s ASN 125 Cb -0.08 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.25 38.52 1x9l s ASN 125 CO 0.02 -0.41 -0.23 -0.51 -2.57 0.00 0.00 177.10 173.40 1x9l s ILE 126 N -1.43 2.33 -0.34 0.60 2.07 0.31 -4.34 121.20 120.40 1x9l s ILE 126 Ca 0.53 -1.00 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 1x9l s ILE 126 Cb -0.27 -1.84 0.06 0.00 0.13 0.00 0.00 42.46 40.53 1x9l s ILE 126 CO 0.35 0.58 0.10 -0.89 -1.91 0.00 0.00 174.94 173.16 1x9l s THR 127 N -0.57 3.49 0.56 4.00 2.01 0.66 -0.33 115.64 125.47 1x9l s THR 127 Ca 0.08 -1.36 -0.07 0.00 0.31 0.00 0.00 61.69 60.65 1x9l s THR 127 Cb -0.11 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1x9l s THR 127 CO 0.00 -0.25 0.90 -1.48 -0.69 0.00 0.00 174.62 173.10 1x9l s LEU 128 N 1.32 3.36 -0.33 4.42 0.05 0.29 -0.67 118.68 127.11 1x9l s LEU 128 Ca -0.01 0.97 0.02 0.00 0.05 0.00 0.00 54.13 55.16 1x9l s LEU 128 Cb -0.20 -3.89 0.15 0.00 -2.05 0.00 0.00 46.19 40.20 1x9l s LEU 128 CO 0.01 -0.86 0.39 -0.75 -0.55 0.00 0.00 176.35 174.58 1x9l s LYS 129 N -4.96 0.52 0.02 1.48 2.20 -1.22 -0.85 119.74 116.93 1x9l s LYS 129 Ca 0.52 -0.37 -0.25 0.00 -0.36 0.00 0.00 55.97 55.51 1x9l s LYS 129 Cb -0.11 -0.53 -0.05 0.00 -1.51 0.00 0.00 37.83 35.64 1x9l s LYS 129 CO 0.47 -1.11 0.77 0.00 -0.36 0.00 0.00 175.35 175.12 1x9l s ALA 130 N 1.99 3.35 -2.00 3.13 0.00 -1.13 -1.27 121.76 125.82 1x9l s ALA 130 Ca 0.13 0.27 0.17 0.00 0.00 0.00 0.00 51.96 52.53 1x9l s ALA 130 Cb -0.13 -3.01 1.02 0.00 0.00 0.00 0.00 23.12 21.00 1x9l s ALA 130 CO -0.18 0.02 1.56 -2.37 0.00 0.00 0.00 175.76 174.79 1x9l n THR 131 N 3.04 0.00 0.21 0.00 5.66 -0.53 -0.45 114.28 122.20 1x9l n THR 131 Ca -0.02 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.11 1x9l n THR 131 Cb 0.50 -0.38 0.67 0.00 -1.55 0.00 0.00 70.33 69.57 1x9l n THR 131 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1x9l h ASP 132 N 0.00 0.00 0.00 1.09 3.32 -1.93 -3.46 116.42 115.44 1x9l h ASP 132 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x9l h ASP 132 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1x9l h ASP 132 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1x9l n GLY 133 N -1.11 0.70 3.69 2.75 0.00 0.40 -5.13 105.19 106.49 1x9l n GLY 133 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1x9l n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x9l s ARG 134 N 0.60 2.50 -0.48 1.61 1.81 0.12 -4.99 118.95 120.12 1x9l s ARG 134 Ca 0.00 -1.09 0.06 0.00 -1.72 0.00 0.00 55.73 52.98 1x9l s ARG 134 Cb 0.00 -2.40 0.22 0.00 -0.45 0.00 0.00 34.95 32.33 1x9l s ARG 134 CO 0.00 0.45 0.77 2.41 -0.68 0.00 0.00 175.30 178.25 1x9l n THR 135 N -0.27 -0.16 -4.19 0.02 -1.04 -1.25 -2.86 114.28 104.53 1x9l n THR 135 Ca -0.09 -1.80 -0.34 0.00 -2.04 0.00 0.00 64.05 59.78 1x9l n THR 135 Cb 0.55 0.76 -0.12 0.00 -1.82 0.00 0.00 70.33 69.71 1x9l n THR 135 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1x9l s LEU 136 N -0.31 3.37 -0.09 -4.42 2.96 -0.03 -4.91 118.68 115.25 1x9l s LEU 136 Ca 0.32 -0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.95 1x9l s LEU 136 Cb 0.15 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1x9l s LEU 136 CO -0.18 0.13 0.44 0.54 -1.32 0.00 0.00 176.35 175.96 1x9l s ASN 137 N 0.62 6.70 0.03 3.68 4.22 -1.26 -0.55 114.94 128.37 1x9l s ASN 137 Ca -0.01 0.83 -0.02 0.00 -2.14 0.00 0.00 52.86 51.52 1x9l s ASN 137 Cb -0.14 -2.27 -0.02 0.00 1.28 0.00 0.00 41.25 40.10 1x9l s ASN 137 CO 0.02 0.10 0.01 -0.69 -2.04 0.00 0.00 177.10 174.50 1x9l s VAL 138 N 0.12 0.13 -0.32 3.54 1.01 0.56 -4.99 120.40 120.44 1x9l s VAL 138 Ca 0.24 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 1x9l s VAL 138 Cb -0.15 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1x9l s VAL 138 CO 0.10 -0.60 0.46 0.00 0.00 0.00 0.00 175.10 175.06 1x9l s ALA 139 N -2.10 3.51 -0.28 5.51 0.00 -1.26 -0.53 121.76 126.61 1x9l s ALA 139 Ca -0.10 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 1x9l s ALA 139 Cb -0.05 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1x9l s ALA 139 CO -0.03 -1.01 0.19 0.00 0.00 0.00 0.00 175.76 174.91 1x9l s ALA 140 N 2.25 3.53 -0.09 0.00 0.00 0.48 -4.16 121.76 123.76 1x9l s ALA 140 Ca 0.17 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 50.76 1x9l s ALA 140 Cb -0.16 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1x9l s ALA 140 CO 0.12 -0.56 0.86 0.99 0.00 0.00 0.00 175.76 177.17 1x9l s THR 141 N 1.76 4.91 -0.64 0.00 2.01 -0.06 -0.89 115.64 122.73 1x9l s THR 141 Ca 0.07 1.76 -0.18 0.00 0.31 0.00 0.00 61.69 63.64 1x9l s THR 141 Cb -0.16 -4.19 0.12 0.00 0.01 0.00 0.00 72.50 68.28 1x9l s THR 141 CO 0.11 0.11 0.74 -0.69 -0.69 0.00 0.00 174.62 174.20 1x9l s VAL 142 N 1.50 4.88 -0.26 3.82 1.01 0.12 -0.62 120.40 130.85 1x9l s VAL 142 Ca 0.43 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 1x9l s VAL 142 Cb -0.18 -4.51 0.07 0.00 0.00 0.00 0.00 36.38 31.76 1x9l s VAL 142 CO 0.19 -1.15 0.69 -1.59 0.00 0.00 0.00 175.10 173.24 1x9l s LYS 143 N 2.48 0.80 0.07 2.72 -2.85 0.22 -0.35 119.74 122.83 1x9l s LYS 143 Ca 0.13 0.97 -0.25 0.00 -1.00 0.00 0.00 55.97 55.82 1x9l s LYS 143 Cb -0.22 0.39 -0.16 0.00 -2.06 0.00 0.00 37.83 35.78 1x9l s LYS 143 CO 0.04 -0.10 1.65 1.57 0.10 0.00 0.00 175.35 178.61 1x9l h LYS 144 N 5.11 -0.18 -3.97 1.78 2.10 -1.79 -3.36 116.57 116.27 1x9l h LYS 144 Ca -0.29 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1x9l h LYS 144 Cb 1.16 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1x9l h LYS 144 CO 0.07 -0.07 -0.73 0.09 -2.00 0.00 0.00 179.45 176.81 1x9l n ASN 145 N -5.15 -7.59 -4.08 7.07 3.02 -1.26 -4.58 115.26 102.70 1x9l n ASN 145 Ca -0.08 1.36 -0.33 0.00 -0.03 0.00 0.00 54.58 55.49 1x9l n ASN 145 Cb 0.12 -4.11 -0.03 0.00 -0.61 0.00 0.00 39.78 35.15 1x9l n ASN 145 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1x9l n ILE 146 N 1.36 -2.64 -4.31 2.41 -5.35 -1.26 -4.97 119.36 104.60 1x9l n ILE 146 Ca 0.00 -0.59 -0.17 0.00 -0.27 0.00 0.00 62.75 61.73 1x9l n ILE 146 Cb 0.00 -2.22 -0.10 0.00 -1.74 0.00 0.00 39.64 35.58 1x9l n ILE 146 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1x9l s GLU 147 N -6.99 1.27 -1.67 6.28 2.12 -1.26 -4.40 118.70 114.05 1x9l s GLU 147 Ca 0.18 -1.60 0.00 0.00 0.36 0.00 0.00 54.97 53.91 1x9l s GLU 147 Cb -0.09 -0.72 0.00 0.00 0.26 0.00 0.00 34.13 33.58 1x9l s GLU 147 CO 0.94 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 176.07 1x9l n GLY 148 N -0.36 -0.02 0.00 -1.50 0.00 -1.26 -5.08 105.19 96.98 1x9l n GLY 148 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1x9l n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86