#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 -2.59 3.77 3.03 0.00 -1.26 -5.00 105.19 103.14 1x9l n GLY 2 Ca 0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 1x9l n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x9l s HIS 3 N -3.04 3.04 0.23 1.61 0.00 -1.26 -5.15 115.29 110.73 1x9l s HIS 3 Ca 0.00 -0.09 -0.06 0.00 -3.00 0.00 0.00 55.06 51.91 1x9l s HIS 3 Cb 0.00 -1.42 -0.02 0.00 -4.00 0.00 0.00 32.58 27.14 1x9l s HIS 3 CO 0.00 0.53 0.29 0.95 -1.00 0.00 0.00 174.74 175.51 1x9l s THR 4 N -1.94 0.00 -0.04 -5.38 -4.23 -1.26 -5.19 115.64 97.60 1x9l s THR 4 Ca 0.31 -1.74 -0.18 0.00 -1.18 0.00 0.00 61.69 58.90 1x9l s THR 4 Cb -0.09 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1x9l s THR 4 CO 0.23 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.72 1x9l s MET 5 N -4.04 0.73 -1.22 3.99 0.00 -1.26 -5.07 119.30 112.43 1x9l s MET 5 Ca 0.32 0.03 -0.16 0.00 0.00 0.00 0.00 55.69 55.88 1x9l s MET 5 Cb 0.03 0.33 -0.04 0.00 0.00 0.00 0.00 34.83 35.16 1x9l s MET 5 CO 0.11 -0.20 2.20 -0.35 0.00 0.00 0.00 175.02 176.79 1x9l n PRO 6 N 1.44 2.46 -1.17 3.16 -0.04 -1.26 -4.83 135.00 134.76 1x9l n PRO 6 Ca -0.20 -2.25 -0.35 0.00 -0.04 0.00 0.00 63.50 60.66 1x9l n PRO 6 Cb 0.56 -3.07 -0.03 0.00 -0.04 0.00 0.00 33.50 30.93 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 6.16 5.06 -2.75 0.55 0.00 -1.26 -4.78 120.51 123.49 1x9l n ALA 7 Ca 0.53 -3.04 -0.13 0.00 0.00 0.00 0.00 53.44 50.80 1x9l n ALA 7 Cb 0.36 -3.36 -0.06 0.00 0.00 0.00 0.00 19.45 16.39 1x9l n ALA 7 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1x9l s HIS 8 N 3.56 0.98 -0.19 0.00 3.76 -1.26 -5.18 115.29 116.96 1x9l s HIS 8 Ca 0.52 -1.21 -0.14 0.00 -0.15 0.00 0.00 55.06 54.08 1x9l s HIS 8 Cb 0.14 -0.18 0.06 0.00 1.11 0.00 0.00 32.58 33.70 1x9l s HIS 8 CO -0.01 -0.97 0.48 0.99 -0.85 0.00 0.00 174.74 174.38 1x9l s THR 9 N -3.57 -0.01 0.41 1.30 2.01 -1.26 -5.16 115.64 109.36 1x9l s THR 9 Ca 0.31 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 62.11 1x9l s THR 9 Cb 0.01 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.75 1x9l s THR 9 CO 0.16 0.02 1.15 -2.16 -0.69 0.00 0.00 174.62 173.10 1x9l s PRO 10 N 0.88 4.01 0.18 4.92 0.04 -1.26 -4.95 135.00 138.82 1x9l s PRO 10 Ca -0.05 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 1x9l s PRO 10 Cb -0.06 -2.60 0.08 0.00 0.04 0.00 0.00 34.50 31.96 1x9l s PRO 10 CO -0.07 -0.34 1.47 -1.00 0.04 0.00 0.00 177.00 177.09 1x9l h PRO 11 N 2.50 0.51 -6.38 0.56 0.13 -2.08 -3.44 132.00 123.80 1x9l h PRO 11 Ca -0.49 -0.36 -0.54 0.00 -0.87 0.00 0.00 66.00 63.75 1x9l h PRO 11 Cb 1.23 0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1x9l h PRO 11 CO 0.62 0.97 0.97 0.00 -0.23 0.00 0.00 178.00 180.34 1x9l s ALA 12 N -3.84 3.64 0.92 -0.56 0.00 -1.26 -5.01 121.76 115.65 1x9l s ALA 12 Ca -0.07 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1x9l s ALA 12 Cb 0.11 -3.68 0.14 0.00 0.00 0.00 0.00 23.12 19.69 1x9l s ALA 12 CO 0.84 -1.12 1.10 -1.14 0.00 0.00 0.00 175.76 175.44 1x9l s GLN 13 N 2.91 1.06 0.14 0.00 0.74 -1.26 -4.95 119.66 118.30 1x9l s GLN 13 Ca 0.71 1.13 -0.32 0.00 0.05 0.00 0.00 55.36 56.92 1x9l s GLN 13 Cb -0.36 -1.76 -0.17 0.00 1.10 0.00 0.00 33.01 31.82 1x9l s GLN 13 CO 0.30 -2.47 0.85 2.41 -0.55 0.00 0.00 175.29 175.83 1x9l n THR 14 N -4.08 1.19 -1.70 -0.34 -1.04 -1.26 -4.87 114.28 102.18 1x9l n THR 14 Ca 0.08 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.05 61.38 1x9l n THR 14 Cb 0.54 -0.25 -0.00 0.00 -1.82 0.00 0.00 70.33 68.79 1x9l n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x9l n ALA 15 N 0.77 1.33 -1.73 2.41 0.00 -1.26 -4.96 120.51 117.06 1x9l n ALA 15 Ca 0.17 0.34 -0.34 0.00 0.00 0.00 0.00 53.44 53.61 1x9l n ALA 15 Cb 0.21 -2.26 -0.00 0.00 0.00 0.00 0.00 19.45 17.39 1x9l n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x9l s PRO 16 N -1.96 3.44 0.16 0.00 0.04 -1.26 -4.97 135.00 130.45 1x9l s PRO 16 Ca 0.57 1.43 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 1x9l s PRO 16 Cb -0.55 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.00 1x9l s PRO 16 CO 0.61 -0.74 1.68 0.00 0.04 0.00 0.00 177.00 178.59 1x9l h ALA 17 N 1.06 0.70 0.00 8.56 0.00 -2.05 -3.46 119.26 124.07 1x9l h ALA 17 Ca -0.49 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1x9l h ALA 17 Cb 1.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1x9l h ALA 17 CO 0.57 0.37 0.00 0.00 0.00 0.00 0.00 179.25 180.20 1x9l n ALA 18 N -2.38 0.00 -1.41 0.00 0.00 -1.26 -4.71 120.51 110.74 1x9l n ALA 18 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1x9l n ALA 18 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.62 1x9l n ALA 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x9l n GLN 19 N 0.00 1.81 0.00 0.00 6.02 -1.26 -4.06 117.38 119.89 1x9l n GLN 19 Ca 0.00 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 1x9l n GLN 19 Cb 0.00 -3.10 0.00 0.00 1.02 0.00 0.00 30.24 28.16 1x9l n GLN 19 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1x9l n LYS 20 N 7.05 0.00 -2.96 -1.09 4.81 -1.26 -5.15 118.16 119.55 1x9l n LYS 20 Ca 0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.76 1x9l n LYS 20 Cb 0.41 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.48 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 -1.36 4.47 0.00 3.14 0.00 -1.26 -4.76 121.76 121.99 1x9l s ALA 21 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1x9l s ALA 21 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1x9l s ALA 21 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1x9l n GLY 22 N -1.96 1.39 3.53 0.00 0.00 -1.26 -4.89 105.19 102.00 1x9l n GLY 22 Ca 0.09 0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 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 0.04 1.43 -2.44 4.61 0.00 -1.26 -4.95 120.51 117.94 1x9l n ALA 23 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1x9l n ALA 23 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 19.45 16.66 1x9l n ALA 23 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x9l s GLN 24 N 6.39 4.56 0.00 0.00 1.11 -1.26 -4.58 119.66 125.88 1x9l s GLN 24 Ca 1.05 1.57 0.00 0.00 0.01 0.00 0.00 55.36 57.99 1x9l s GLN 24 Cb -0.57 -3.38 0.00 0.00 -1.01 0.00 0.00 33.01 28.04 1x9l s GLN 24 CO 0.41 -0.04 0.00 0.00 0.01 0.00 0.00 175.29 175.68 1x9l n ALA 25 N 3.44 0.00 -1.71 6.09 0.00 0.71 -4.93 120.51 124.12 1x9l n ALA 25 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1x9l n ALA 25 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1x9l n ALA 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1x9l n LEU 26 N 0.00 3.91 -4.67 0.00 0.00 -1.04 -4.81 117.00 110.40 1x9l n LEU 26 Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 56.01 56.75 1x9l n LEU 26 Cb 0.00 -1.55 0.24 0.00 0.00 0.00 0.00 43.42 42.11 1x9l n LEU 26 CO 0.00 0.13 0.68 -2.16 0.00 0.00 0.00 177.39 176.05 1x9l s PRO 27 N 1.57 -1.02 -0.99 1.96 0.04 -1.26 -2.97 135.00 132.32 1x9l s PRO 27 Ca 0.77 -0.24 -0.08 0.00 0.04 0.00 0.00 61.00 61.50 1x9l s PRO 27 Cb -0.52 -1.64 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 1x9l s PRO 27 CO 0.34 -3.55 3.08 1.55 0.04 0.00 0.00 177.00 178.46 1x9l n VAL 28 N -4.61 3.96 -2.78 -0.36 3.14 -1.26 -4.33 118.33 112.09 1x9l n VAL 28 Ca 0.15 -2.51 -0.10 0.00 -2.96 0.00 0.00 64.34 58.92 1x9l n VAL 28 Cb 0.60 -2.27 0.08 0.00 -1.06 0.00 0.00 33.84 31.18 1x9l n VAL 28 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1x9l n THR 29 N 2.78 0.03 -2.97 1.55 -2.24 -1.20 -4.17 114.28 108.06 1x9l n THR 29 Ca 0.63 -2.01 -0.23 0.00 -2.27 0.00 0.00 64.05 60.17 1x9l n THR 29 Cb 0.47 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 1x9l n THR 29 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1x9l n VAL 30 N 0.10 1.75 -3.81 2.28 3.14 -1.26 -5.01 118.33 115.53 1x9l n VAL 30 Ca 0.07 -5.03 -0.11 0.00 -2.96 0.00 0.00 64.34 56.32 1x9l n VAL 30 Cb 0.74 -0.86 -0.08 0.00 -1.06 0.00 0.00 33.84 32.58 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 -3.10 0.76 0.00 1.45 2.00 -1.26 -4.87 119.66 114.65 1x9l s GLN 31 Ca 0.44 -0.64 0.00 0.00 -2.00 0.00 0.00 55.36 53.16 1x9l s GLN 31 Cb 0.33 0.32 0.00 0.00 0.80 0.00 0.00 33.01 34.46 1x9l s GLN 31 CO -0.11 -0.23 0.00 0.41 -0.50 0.00 0.00 175.29 174.85 1x9l n GLY 32 N 0.51 -1.88 2.81 2.59 0.00 -1.26 -4.97 105.19 103.00 1x9l n GLY 32 Ca -0.18 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 1x9l n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l s ALA 33 N -3.25 0.05 -0.25 4.61 0.00 -1.26 -4.67 121.76 116.98 1x9l s ALA 33 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1x9l s ALA 33 Cb 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.02 1x9l s ALA 33 CO 0.00 -0.07 -0.11 0.95 0.00 0.00 0.00 175.76 176.53 1x9l s THR 34 N 0.67 2.11 -0.20 0.00 -4.23 -1.11 -0.43 115.64 112.45 1x9l s THR 34 Ca -0.06 -1.56 -0.09 0.00 -1.18 0.00 0.00 61.69 58.80 1x9l s THR 34 Cb -0.08 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 1x9l s THR 34 CO -0.02 0.00 0.11 -0.69 -0.54 0.00 0.00 174.62 173.48 1x9l s VAL 35 N 1.14 5.12 -0.45 2.29 1.01 0.27 -0.23 120.40 129.54 1x9l s VAL 35 Ca -0.08 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1x9l s VAL 35 Cb -0.19 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.87 1x9l s VAL 35 CO -0.06 0.43 1.24 0.00 0.00 0.00 0.00 175.10 176.71 1x9l s ALA 36 N 0.53 3.13 0.00 5.51 0.00 -1.10 -0.22 121.76 129.60 1x9l s ALA 36 Ca 0.06 -0.34 -0.37 0.00 0.00 0.00 0.00 51.96 51.31 1x9l s ALA 36 Cb -0.12 -3.91 -0.16 0.00 0.00 0.00 0.00 23.12 18.94 1x9l s ALA 36 CO 0.00 -2.28 1.50 0.00 0.00 0.00 0.00 175.76 174.98 1x9l n ALA 37 N 8.18 -0.40 0.00 0.00 0.00 -1.26 -4.37 120.51 122.66 1x9l n ALA 37 Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1x9l n ALA 37 Cb 0.49 -2.17 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 3.26 0.00 -1.05 0.00 0.31 -1.26 -4.71 118.33 114.89 1x9l n VAL 38 Ca 0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.23 1x9l n VAL 38 Cb 0.19 0.00 0.25 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.49 -0.56 5.55 0.02 -1.26 -4.86 135.00 132.40 1x9l s PRO 39 Ca 0.00 -0.13 -0.21 0.00 0.02 0.00 0.00 61.00 60.68 1x9l s PRO 39 Cb 0.00 -1.57 -0.19 0.00 0.02 0.00 0.00 34.50 32.76 1x9l s PRO 39 CO 0.00 -3.88 1.81 -0.35 -0.33 0.00 0.00 177.00 174.26 1x9l n PRO 40 N -4.86 1.13 -1.98 5.54 -0.04 -1.26 -3.69 135.00 129.84 1x9l n PRO 40 Ca 0.14 -1.51 -0.02 0.00 -0.04 0.00 0.00 63.50 62.07 1x9l n PRO 40 Cb 0.60 -2.70 0.04 0.00 -0.04 0.00 0.00 33.50 31.39 1x9l n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x9l n SER 41 N 7.24 -0.46 -0.98 3.54 7.64 -1.26 -5.15 113.62 124.19 1x9l n SER 41 Ca 0.45 -2.08 0.09 0.00 1.01 0.00 0.00 58.87 58.34 1x9l n SER 41 Cb 0.35 0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1x9l n ILE 42 N -0.59 0.00 0.32 0.44 5.41 -1.24 -3.14 119.36 120.55 1x9l n ILE 42 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1x9l n ILE 42 Cb 0.85 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.54 1x9l n ILE 42 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1x9l n ARG 43 N -2.76 0.51 -4.13 0.38 1.85 -1.26 -4.49 116.66 106.75 1x9l n ARG 43 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1x9l n ARG 43 Cb 0.32 -1.25 -0.06 0.00 -1.05 0.00 0.00 32.46 30.42 1x9l n ARG 43 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1x9l s ASP 44 N 1.25 5.22 0.23 2.89 1.47 -1.19 -0.96 116.67 125.57 1x9l s ASP 44 Ca 0.00 -0.25 -0.15 0.00 1.18 0.00 0.00 52.55 53.33 1x9l s ASP 44 Cb 0.00 -1.27 0.06 0.00 -0.34 0.00 0.00 42.92 41.37 1x9l s ASP 44 CO 0.00 0.07 0.77 1.07 0.68 0.00 0.00 175.17 177.76 1x9l n THR 45 N -0.31 0.00 -4.03 2.11 5.66 -1.24 -4.57 114.28 111.90 1x9l n THR 45 Ca -0.09 -0.61 -0.09 0.00 -3.05 0.00 0.00 64.05 60.20 1x9l n THR 45 Cb 0.55 0.71 -0.08 0.00 -1.55 0.00 0.00 70.33 69.96 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 -1.87 0.31 0.15 1.79 0.00 -1.26 -0.18 121.76 120.70 1x9l s ALA 46 Ca 0.16 -1.09 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 1x9l s ALA 46 Cb -0.03 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 23.85 1x9l s ALA 46 CO 0.07 -0.58 0.82 0.00 0.00 0.00 0.00 175.76 176.06 1x9l s ALA 47 N -3.99 3.40 -0.37 0.00 0.00 -1.22 -2.72 121.76 116.86 1x9l s ALA 47 Ca 0.19 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 1x9l s ALA 47 Cb 0.05 -3.03 0.08 0.00 0.00 0.00 0.00 23.12 20.22 1x9l s ALA 47 CO 0.00 0.22 0.15 0.71 0.00 0.00 0.00 175.76 176.84 1x9l s TYR 48 N -0.89 3.43 0.14 0.00 1.51 0.67 -3.94 117.35 118.27 1x9l s TYR 48 Ca 0.38 -2.04 -0.05 0.00 -1.01 0.00 0.00 57.07 54.35 1x9l s TYR 48 Cb -0.23 -2.80 0.02 0.00 -0.11 0.00 0.00 41.96 38.84 1x9l s TYR 48 CO 0.27 -0.89 0.27 0.00 -1.11 0.00 0.00 175.55 174.10 1x9l n MET 49 N 4.67 0.39 -4.76 -0.62 0.00 -0.32 -2.77 117.12 113.71 1x9l n MET 49 Ca -0.07 -0.77 -0.31 0.00 0.00 0.00 0.00 57.70 56.55 1x9l n MET 49 Cb 0.42 0.96 -0.13 0.00 0.00 0.00 0.00 33.22 34.47 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 -2.69 2.71 -0.26 3.17 2.01 -1.26 -0.14 115.64 119.17 1x9l s THR 50 Ca 0.05 -1.14 -0.12 0.00 0.31 0.00 0.00 61.69 60.79 1x9l s THR 50 Cb -0.02 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 1x9l s THR 50 CO 0.04 0.39 0.25 -0.22 -0.69 0.00 0.00 174.62 174.39 1x9l s LEU 51 N -1.26 4.06 -0.17 4.42 2.96 -0.38 -4.51 118.68 123.81 1x9l s LEU 51 Ca 0.14 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1x9l s LEU 51 Cb -0.10 -2.23 0.04 0.00 0.50 0.00 0.00 46.19 44.40 1x9l s LEU 51 CO 0.04 -0.06 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.07 1x9l s THR 52 N 1.63 1.07 -0.04 3.68 2.01 -1.26 -2.52 115.64 120.21 1x9l s THR 52 Ca 0.10 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.33 1x9l s THR 52 Cb -0.15 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1x9l s THR 52 CO 0.09 0.11 0.41 0.21 -0.69 0.00 0.00 174.62 174.75 1x9l s ASN 53 N 1.65 6.75 -0.41 3.53 3.84 -0.45 -3.20 114.94 126.64 1x9l s ASN 53 Ca 0.01 0.89 0.11 0.00 0.21 0.00 0.00 52.86 54.08 1x9l s ASN 53 Cb -0.15 -2.25 0.38 0.00 -0.55 0.00 0.00 41.25 38.68 1x9l s ASN 53 CO -0.08 0.24 0.86 0.29 -2.79 0.00 0.00 177.10 175.62 1x9l n LYS 54 N 2.38 1.69 0.02 0.43 4.76 -1.16 -4.86 118.16 121.42 1x9l n LYS 54 Ca -0.12 -3.75 0.00 0.00 -2.87 0.00 0.00 58.31 51.57 1x9l n LYS 54 Cb 0.52 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 0.02 -0.00 -3.01 4.39 7.64 -1.22 -0.21 113.62 121.23 1x9l n SER 55 Ca 0.24 0.07 -0.15 0.00 1.01 0.00 0.00 58.87 60.04 1x9l n SER 55 Cb 0.65 0.05 0.07 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 -2.71 -2.60 -4.17 6.43 9.92 -1.26 -4.76 116.55 117.41 1x9l n ASP 56 Ca 0.00 -0.50 -0.26 0.00 -0.53 0.00 0.00 54.79 53.50 1x9l n ASP 56 Cb 0.06 -4.31 -0.16 0.00 -0.64 0.00 0.00 41.12 36.07 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1x9l s GLN 57 N -5.27 1.64 -0.11 -1.24 1.11 -1.26 -4.82 119.66 109.71 1x9l s GLN 57 Ca 0.08 -0.65 -0.29 0.00 0.01 0.00 0.00 55.36 54.51 1x9l s GLN 57 Cb -0.03 -1.51 -0.04 0.00 -1.01 0.00 0.00 33.01 30.42 1x9l s GLN 57 CO 0.60 0.34 1.54 -1.25 0.01 0.00 0.00 175.29 176.53 1x9l s PRO 58 N -0.24 4.12 -0.05 2.91 0.04 -1.26 -3.66 135.00 136.86 1x9l s PRO 58 Ca 0.02 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.07 1x9l s PRO 58 Cb -0.09 -3.94 -0.01 0.00 0.04 0.00 0.00 34.50 30.50 1x9l s PRO 58 CO 0.01 -0.89 -0.21 0.42 0.04 0.00 0.00 177.00 176.36 1x9l s ILE 59 N 4.12 1.75 -0.56 0.56 1.01 -0.77 -4.86 121.20 122.44 1x9l s ILE 59 Ca 0.68 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 1x9l s ILE 59 Cb -0.29 -1.49 0.13 0.00 0.01 0.00 0.00 42.46 40.82 1x9l s ILE 59 CO 0.26 0.49 0.56 -1.59 0.00 0.00 0.00 174.94 174.66 1x9l s LYS 60 N -0.07 3.02 -0.30 2.79 -2.85 -1.26 -0.66 119.74 120.40 1x9l s LYS 60 Ca -0.04 -1.63 -0.23 0.00 -1.00 0.00 0.00 55.97 53.08 1x9l s LYS 60 Cb -0.13 -4.30 -0.00 0.00 -2.06 0.00 0.00 37.83 31.35 1x9l s LYS 60 CO 0.03 -1.39 0.76 -1.17 0.10 0.00 0.00 175.35 173.68 1x9l s LEU 61 N 1.85 4.09 -0.35 2.77 1.98 -0.85 -3.83 118.68 124.34 1x9l s LEU 61 Ca 0.06 0.66 0.14 0.00 -2.89 0.00 0.00 54.13 52.10 1x9l s LEU 61 Cb -0.28 -3.03 0.42 0.00 0.66 0.00 0.00 46.19 43.96 1x9l s LEU 61 CO 0.03 -0.57 1.04 0.55 -1.89 0.00 0.00 176.35 175.51 1x9l n VAL 62 N 5.48 0.55 -3.63 1.68 3.14 -1.26 -2.48 118.33 121.80 1x9l n VAL 62 Ca 0.03 -2.76 -0.12 0.00 -2.96 0.00 0.00 64.34 58.54 1x9l n VAL 62 Cb 0.48 0.69 -0.07 0.00 -1.06 0.00 0.00 33.84 33.88 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 -2.45 -0.46 -0.47 7.55 0.00 -0.98 -4.61 107.32 105.91 1x9l s GLY 63 Ca 0.27 2.25 0.06 0.00 0.00 0.00 0.00 44.72 47.31 1x9l s GLY 63 CO -0.01 1.88 0.92 0.00 0.00 0.00 0.00 173.10 175.89 1x9l n ALA 64 N 2.84 -0.78 -2.10 3.20 0.00 -1.26 -3.24 120.51 119.18 1x9l n ALA 64 Ca -0.15 -1.66 -0.29 0.00 0.00 0.00 0.00 53.44 51.34 1x9l n ALA 64 Cb 0.56 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.29 3.27 -0.29 0.00 0.00 0.65 -4.89 121.76 120.80 1x9l s ALA 65 Ca 0.30 -0.28 -0.25 0.00 0.00 0.00 0.00 51.96 51.72 1x9l s ALA 65 Cb 0.25 -2.80 0.16 0.00 0.00 0.00 0.00 23.12 20.72 1x9l s ALA 65 CO -0.17 -0.42 1.24 -0.08 0.00 0.00 0.00 175.76 176.34 1x9l s THR 66 N -2.84 0.00 -1.18 0.00 -1.32 -1.26 0.01 115.64 109.05 1x9l s THR 66 Ca 0.51 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.85 1x9l s THR 66 Cb -0.11 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.82 1x9l s THR 66 CO 0.45 0.00 2.26 -0.81 -2.21 0.00 0.00 174.62 174.32 1x9l n PRO 67 N 1.86 2.47 0.02 7.08 -0.04 -1.26 -3.15 135.00 141.97 1x9l n PRO 67 Ca -0.11 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1x9l n PRO 67 Cb 0.56 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 5.57 -0.25 -4.82 1.53 -0.00 -1.26 -4.58 117.00 113.19 1x9l n LEU 68 Ca 0.55 0.06 -0.38 0.00 -0.00 0.00 0.00 56.01 56.24 1x9l n LEU 68 Cb 0.30 0.61 -0.06 0.00 -0.00 0.00 0.00 43.42 44.28 1x9l n LEU 68 CO 0.89 -0.46 0.11 0.00 -0.00 0.00 0.00 177.39 177.94 1x9l s ALA 69 N -2.00 3.67 -0.20 1.96 0.00 -1.19 -0.42 121.76 123.58 1x9l s ALA 69 Ca 0.00 -0.21 0.20 0.00 0.00 0.00 0.00 51.96 51.95 1x9l s ALA 69 Cb 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 1x9l s ALA 69 CO 0.00 0.43 1.02 1.15 0.00 0.00 0.00 175.76 178.36 1x9l h THR 70 N 3.80 0.22 -2.76 0.00 2.02 -0.64 -3.43 112.91 112.12 1x9l h THR 70 Ca -0.50 -1.41 -0.60 0.00 0.77 0.00 0.00 66.41 64.66 1x9l h THR 70 Cb 1.21 1.76 -0.39 0.00 -1.74 0.00 0.00 68.15 68.99 1x9l h THR 70 CO 0.63 0.13 -0.80 -0.55 0.37 0.00 0.00 175.52 175.29 1x9l s SER 71 N -5.62 3.17 -0.18 4.18 0.15 0.38 -5.00 113.70 110.78 1x9l s SER 71 Ca -0.01 -2.58 -0.21 0.00 0.70 0.00 0.00 55.95 53.85 1x9l s SER 71 Cb 0.09 -0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 63.62 1x9l s SER 71 CO 0.79 -0.26 0.64 -2.16 1.20 0.00 0.00 173.24 173.45 1x9l s PRO 72 N 0.49 4.24 0.08 5.44 0.04 -1.26 -1.56 135.00 142.47 1x9l s PRO 72 Ca 0.20 0.66 0.04 0.00 0.04 0.00 0.00 61.00 61.94 1x9l s PRO 72 Cb -0.19 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1x9l s PRO 72 CO -0.03 -0.20 -0.12 -1.64 0.04 0.00 0.00 177.00 175.05 1x9l s MET 73 N 1.76 0.80 0.39 4.56 -1.94 -0.05 -5.00 119.30 119.82 1x9l s MET 73 Ca 0.30 -1.01 -0.06 0.00 -1.71 0.00 0.00 55.69 53.21 1x9l s MET 73 Cb -0.16 -0.67 -0.05 0.00 2.01 0.00 0.00 34.83 35.97 1x9l s MET 73 CO 0.11 0.13 0.69 -0.51 -0.01 0.00 0.00 175.02 175.44 1x9l s LEU 74 N -2.00 3.84 0.03 -0.03 1.43 -1.26 0.31 118.68 121.00 1x9l s LEU 74 Ca 0.00 0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 53.78 1x9l s LEU 74 Cb -0.07 -3.76 0.04 0.00 0.03 0.00 0.00 46.19 42.42 1x9l s LEU 74 CO 0.01 -0.39 0.44 -0.32 0.23 0.00 0.00 176.35 176.33 1x9l s MET 75 N -4.12 0.93 -0.04 1.70 1.75 0.98 -4.22 119.30 116.28 1x9l s MET 75 Ca 0.47 -0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.62 1x9l s MET 75 Cb -0.10 0.42 0.03 0.00 2.84 0.00 0.00 34.83 38.01 1x9l s MET 75 CO 0.36 -0.31 0.05 -0.08 -0.65 0.00 0.00 175.02 174.39 1x9l s THR 76 N -2.24 -0.06 -0.35 10.11 -1.32 -1.21 -0.85 115.64 119.73 1x9l s THR 76 Ca -0.07 0.38 0.14 0.00 -1.21 0.00 0.00 61.69 60.94 1x9l s THR 76 Cb -0.01 -0.18 0.42 0.00 -1.51 0.00 0.00 72.50 71.22 1x9l s THR 76 CO -0.00 0.18 1.06 0.41 -2.21 0.00 0.00 174.62 174.06 1x9l n THR 77 N 5.17 0.56 -3.33 5.08 -1.04 -1.26 -0.39 114.28 119.07 1x9l n THR 77 Ca -0.06 -2.64 -0.13 0.00 -2.04 0.00 0.00 64.05 59.18 1x9l n THR 77 Cb 0.50 0.73 -0.06 0.00 -1.82 0.00 0.00 70.33 69.68 1x9l n THR 77 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1x9l s THR 78 N -1.92 -0.46 0.25 12.58 2.01 -0.82 -4.08 115.64 123.21 1x9l s THR 78 Ca 0.26 -0.79 0.09 0.00 0.31 0.00 0.00 61.69 61.56 1x9l s THR 78 Cb 0.43 -0.57 0.28 0.00 0.01 0.00 0.00 72.50 72.64 1x9l s THR 78 CO -0.01 -0.47 1.15 1.41 -0.69 0.00 0.00 174.62 176.01 1x9l n HIS 79 N 4.32 0.68 -0.01 4.92 8.25 0.49 -0.21 115.22 133.66 1x9l n HIS 79 Ca 0.11 0.87 0.23 0.00 -0.26 0.00 0.00 57.72 58.68 1x9l n HIS 79 Cb 0.47 -1.18 0.70 0.00 1.12 0.00 0.00 29.99 31.10 1x9l n HIS 79 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1x9l h SER 80 N 0.00 0.00 0.00 0.41 0.02 -1.96 -3.30 113.55 108.72 1x9l h SER 80 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1x9l h SER 80 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1x9l h SER 80 CO -0.62 0.00 -0.42 0.61 -1.14 0.00 0.00 176.83 175.26 1x9l n GLY 81 N -1.56 -0.03 0.00 -3.77 0.00 -0.46 -4.89 105.19 94.48 1x9l n GLY 81 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1x9l n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x9l n GLY 82 N 2.27 0.54 0.00 -0.02 0.00 0.70 -4.80 105.19 103.89 1x9l n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x9l n GLY 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x9l n MET 83 N 0.00 0.00 -2.72 1.61 0.00 -1.24 -4.08 117.12 110.69 1x9l n MET 83 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.63 1x9l n MET 83 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 33.22 33.31 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 -1.49 -3.12 -5.12 0.00 -1.25 -0.38 120.51 106.15 1x9l n ALA 84 Ca 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 53.44 52.22 1x9l n ALA 84 Cb 0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.09 -1.08 -1.06 0.00 0.00 0.48 -4.98 107.32 99.58 1x9l s GLY 85 Ca 0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.71 1x9l s GLY 85 CO -0.12 3.54 2.21 -0.13 0.00 0.00 0.00 173.10 178.60 1x9l n MET 86 N 4.00 2.28 -4.09 2.90 1.56 -1.07 -3.32 117.12 119.39 1x9l n MET 86 Ca 0.13 -1.86 -0.12 0.00 -0.27 0.00 0.00 57.70 55.59 1x9l n MET 86 Cb 0.55 -2.77 -0.06 0.00 2.15 0.00 0.00 33.22 33.09 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 3.65 1.57 -1.38 2.12 -2.85 -1.26 -4.95 119.74 116.65 1x9l s LYS 87 Ca 0.51 -1.53 -0.16 0.00 -1.00 0.00 0.00 55.97 53.78 1x9l s LYS 87 Cb 0.13 0.40 0.06 0.00 -2.06 0.00 0.00 37.83 36.36 1x9l s LYS 87 CO -0.00 -0.62 1.99 -0.12 0.10 0.00 0.00 175.35 176.70 1x9l n MET 88 N -0.42 3.02 -0.76 1.78 0.00 -1.26 -4.18 117.12 115.30 1x9l n MET 88 Ca 0.00 -2.93 -0.31 0.00 -0.00 0.00 0.00 57.70 54.46 1x9l n MET 88 Cb 0.63 -3.38 0.16 0.00 0.00 0.00 0.00 33.22 30.63 1x9l n MET 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1x9l s VAL 89 N 3.64 2.22 -1.14 1.12 -7.23 -1.26 -4.88 120.40 112.87 1x9l s VAL 89 Ca 0.50 0.07 -0.25 0.00 -1.81 0.00 0.00 61.98 60.49 1x9l s VAL 89 Cb 0.09 -2.16 -0.16 0.00 0.56 0.00 0.00 36.38 34.72 1x9l s VAL 89 CO -0.01 -0.09 2.02 -2.16 -0.31 0.00 0.00 175.10 174.55 1x9l s PRO 90 N -4.67 1.83 2.28 4.82 0.04 -1.26 -4.84 135.00 133.20 1x9l s PRO 90 Ca 0.66 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1x9l s PRO 90 Cb -0.22 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1x9l s PRO 90 CO 0.58 -4.77 0.00 -2.67 0.04 0.00 0.00 177.00 170.19 1x9l n TRP 91 N 17.06 -1.41 -3.78 0.56 2.14 -1.26 -4.73 117.44 126.02 1x9l n TRP 91 Ca 0.43 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.70 1x9l n TRP 91 Cb 0.47 0.23 -0.15 0.00 -0.81 0.00 0.00 31.31 31.05 1x9l n TRP 91 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 1x9l s LEU 92 N 0.00 2.71 -0.12 5.67 1.98 -1.03 -4.88 118.68 123.00 1x9l s LEU 92 Ca 0.00 -1.81 -0.27 0.00 -2.89 0.00 0.00 54.13 49.15 1x9l s LEU 92 Cb 0.00 -1.01 -0.02 0.00 0.66 0.00 0.00 46.19 45.83 1x9l s LEU 92 CO 0.00 -0.40 0.92 -0.89 -1.89 0.00 0.00 176.35 174.09 1x9l s THR 93 N 1.39 4.85 -0.24 3.68 2.01 -1.26 -2.00 115.64 124.06 1x9l s THR 93 Ca 0.11 1.85 -0.15 0.00 0.31 0.00 0.00 61.69 63.80 1x9l s THR 93 Cb -0.18 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1x9l s THR 93 CO -0.20 0.04 0.38 0.27 -0.69 0.00 0.00 174.62 174.42 1x9l s ILE 94 N 1.90 5.19 -1.51 1.82 -5.25 0.16 -4.85 121.20 118.65 1x9l s ILE 94 Ca 0.44 0.61 -0.12 0.00 -0.99 0.00 0.00 60.65 60.59 1x9l s ILE 94 Cb -0.18 -3.70 0.00 0.00 2.95 0.00 0.00 42.46 41.53 1x9l s ILE 94 CO 0.16 0.20 2.50 -0.81 -1.79 0.00 0.00 174.94 175.21 1x9l n PRO 95 N 4.99 3.35 -0.66 0.37 -0.04 -1.26 -1.84 135.00 139.90 1x9l n PRO 95 Ca -0.09 -2.57 0.09 0.00 -0.04 0.00 0.00 63.50 60.90 1x9l n PRO 95 Cb 0.51 -3.03 -0.02 0.00 -0.04 0.00 0.00 33.50 30.92 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 4.67 -1.71 -0.57 0.55 0.00 -1.24 -4.80 120.51 117.40 1x9l n ALA 96 Ca 0.62 0.21 0.00 0.00 0.00 0.00 0.00 53.44 54.27 1x9l n ALA 96 Cb 0.32 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1x9l n ALA 96 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1x9l n ARG 97 N -2.82 -0.30 -1.67 0.00 0.00 -1.26 -4.83 116.66 105.79 1x9l n ARG 97 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.42 1x9l n ARG 97 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.75 1x9l n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x9l n GLY 98 N -0.21 0.51 2.46 2.89 0.00 -1.26 -4.77 105.19 104.81 1x9l n GLY 98 Ca 0.00 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 0.90 -0.06 -3.10 2.61 -1.04 -1.22 -1.34 114.28 111.02 1x9l n THR 99 Ca 0.08 -3.04 -0.22 0.00 -2.04 0.00 0.00 64.05 58.83 1x9l n THR 99 Cb 0.33 0.62 0.01 0.00 -1.82 0.00 0.00 70.33 69.47 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 -2.38 3.72 -0.29 -4.42 2.34 -1.05 -4.91 118.68 111.70 1x9l s LEU 100 Ca 0.31 0.16 0.02 0.00 0.06 0.00 0.00 54.13 54.68 1x9l s LEU 100 Cb 0.32 -3.05 0.08 0.00 -0.56 0.00 0.00 46.19 42.98 1x9l s LEU 100 CO -0.06 -0.64 0.00 -0.89 -1.06 0.00 0.00 176.35 173.70 1x9l s THR 101 N -2.46 1.74 -0.19 5.48 2.01 -1.26 -1.25 115.64 119.72 1x9l s THR 101 Ca 0.48 -1.69 -0.28 0.00 0.31 0.00 0.00 61.69 60.51 1x9l s THR 101 Cb -0.10 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 1x9l s THR 101 CO 0.36 -0.37 0.96 -0.76 -0.69 0.00 0.00 174.62 174.12 1x9l s LEU 102 N 1.23 4.15 0.10 4.42 1.02 0.80 -4.60 118.68 125.79 1x9l s LEU 102 Ca 0.02 1.33 -0.20 0.00 0.02 0.00 0.00 54.13 55.30 1x9l s LEU 102 Cb -0.19 -3.44 0.05 0.00 0.02 0.00 0.00 46.19 42.64 1x9l s LEU 102 CO -0.10 -0.53 0.50 0.00 0.02 0.00 0.00 176.35 176.23 1x9l s GLN 103 N 2.62 1.09 0.00 1.70 -2.07 0.63 -1.17 119.66 122.46 1x9l s GLN 103 Ca 0.43 -0.44 0.01 0.00 -1.82 0.00 0.00 55.36 53.54 1x9l s GLN 103 Cb -0.16 0.49 0.04 0.00 -1.09 0.00 0.00 33.01 32.30 1x9l s GLN 103 CO 0.11 -0.42 0.53 -2.13 -1.32 0.00 0.00 175.29 172.05 1x9l n ARG 104 N 0.05 0.02 0.00 9.60 0.00 -1.26 -3.25 116.66 121.82 1x9l n ARG 104 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 1x9l n ARG 104 Cb 0.62 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.60 1x9l n ARG 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1x9l n ASP 105 N -0.99 0.00 -4.28 6.15 8.00 -1.26 -4.96 116.55 119.21 1x9l n ASP 105 Ca 0.01 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 1x9l n ASP 105 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1x9l n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x9l n GLY 106 N 2.45 2.59 0.93 0.44 0.00 -1.20 -4.04 105.19 106.36 1x9l n GLY 106 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 9.25 -5.57 -3.78 1.61 -0.08 -1.26 -4.05 116.55 112.67 1x9l n ASP 107 Ca 0.49 0.69 0.03 0.00 -1.51 0.00 0.00 54.79 54.49 1x9l n ASP 107 Cb 0.44 -2.17 0.01 0.00 2.34 0.00 0.00 41.12 41.74 1x9l n ASP 107 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1x9l s HIS 108 N -2.10 0.00 -0.26 -0.67 -3.43 -0.03 -0.27 115.29 108.54 1x9l s HIS 108 Ca 0.00 -0.08 -0.12 0.00 -0.80 0.00 0.00 55.06 54.06 1x9l s HIS 108 Cb 0.00 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.64 1x9l s HIS 108 CO 0.00 -0.19 0.24 0.08 -2.00 0.00 0.00 174.74 172.87 1x9l s VAL 109 N -2.10 5.28 -0.60 -5.38 1.01 -1.26 -0.01 120.40 117.34 1x9l s VAL 109 Ca 0.25 0.30 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 1x9l s VAL 109 Cb 0.02 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1x9l s VAL 109 CO -0.03 0.25 1.12 -0.04 0.00 0.00 0.00 175.10 176.40 1x9l s MET 110 N 1.66 3.40 -1.23 2.72 -1.94 0.15 -3.39 119.30 120.67 1x9l s MET 110 Ca 0.10 -0.01 -0.11 0.00 -1.71 0.00 0.00 55.69 53.96 1x9l s MET 110 Cb -0.15 -4.06 0.18 0.00 2.01 0.00 0.00 34.83 32.81 1x9l s MET 110 CO 0.09 -1.69 1.64 1.28 -0.01 0.00 0.00 175.02 176.34 1x9l n LEU 111 N 8.24 6.02 -4.87 -0.03 4.77 0.75 -0.87 117.00 131.00 1x9l n LEU 111 Ca 0.05 -4.62 -0.32 0.00 -0.03 0.00 0.00 56.01 51.08 1x9l n LEU 111 Cb 0.48 -1.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.00 1x9l n LEU 111 CO 0.69 1.14 0.20 -0.32 -1.33 0.00 0.00 177.39 177.77 1x9l s MET 112 N 0.58 3.81 0.00 3.23 1.75 -0.60 -3.72 119.30 124.36 1x9l s MET 112 Ca 0.40 0.28 0.00 0.00 -1.25 0.00 0.00 55.69 55.12 1x9l s MET 112 Cb 0.03 -2.71 0.00 0.00 2.84 0.00 0.00 34.83 35.00 1x9l s MET 112 CO 0.01 0.36 0.00 0.41 -0.65 0.00 0.00 175.02 175.14 1x9l n GLY 113 N 0.04 1.64 4.17 2.11 0.00 -0.13 -0.17 105.19 112.84 1x9l n GLY 113 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1x9l n GLY 113 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1x9l n LEU 114 N 0.00 -0.82 0.20 0.99 -0.00 -1.25 -3.68 117.00 112.43 1x9l n LEU 114 Ca 0.00 -1.14 0.15 0.00 -0.00 0.00 0.00 56.01 55.02 1x9l n LEU 114 Cb 0.00 -1.43 0.59 0.00 -0.00 0.00 0.00 43.42 42.58 1x9l n LEU 114 CO 0.00 0.32 0.93 0.50 -0.00 0.00 0.00 177.39 179.13 1x9l h LYS 115 N -1.28 0.00 -4.98 1.47 3.64 -1.06 -3.41 116.57 110.96 1x9l h LYS 115 Ca -0.58 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.47 1x9l h LYS 115 Cb 1.25 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.87 1x9l h LYS 115 CO 0.69 0.00 -0.75 1.03 -2.27 0.00 0.00 179.45 178.15 1x9l s ARG 116 N -3.49 0.74 -1.06 1.90 0.52 -1.26 -4.79 118.95 111.50 1x9l s ARG 116 Ca 0.03 -0.96 -0.21 0.00 -0.52 0.00 0.00 55.73 54.07 1x9l s ARG 116 Cb 0.09 -0.56 -0.08 0.00 0.52 0.00 0.00 34.95 34.91 1x9l s ARG 116 CO 0.46 0.11 1.93 -0.35 0.02 0.00 0.00 175.30 177.48 1x9l n PRO 117 N 1.10 1.89 -1.36 3.54 -0.04 -1.26 -4.90 135.00 133.98 1x9l n PRO 117 Ca -0.20 -2.34 -0.52 0.00 -0.04 0.00 0.00 63.50 60.40 1x9l n PRO 117 Cb 0.55 -3.34 -0.13 0.00 -0.04 0.00 0.00 33.50 30.55 1x9l n PRO 117 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x9l n LEU 118 N 10.07 0.62 -4.73 1.53 4.32 -1.26 -4.94 117.00 122.60 1x9l n LEU 118 Ca 0.48 0.45 -0.39 0.00 -0.02 0.00 0.00 56.01 56.53 1x9l n LEU 118 Cb 0.43 -0.93 -0.05 0.00 -1.62 0.00 0.00 43.42 41.26 1x9l n LEU 118 CO 0.86 -0.76 0.35 -0.54 -1.22 0.00 0.00 177.39 176.07 1x9l s LYS 119 N 7.27 4.40 -0.42 3.23 1.02 -1.26 -4.70 119.74 129.28 1x9l s LYS 119 Ca 1.26 0.80 -0.27 0.00 0.02 0.00 0.00 55.97 57.78 1x9l s LYS 119 Cb -1.37 -3.41 -0.06 0.00 -0.52 0.00 0.00 37.83 32.47 1x9l s LYS 119 CO 0.58 0.17 2.33 0.54 -0.92 0.00 0.00 175.35 178.05 1x9l s VAL 120 N 0.45 3.03 0.00 3.17 0.11 -1.26 -0.75 120.40 125.15 1x9l s VAL 120 Ca 0.34 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1x9l s VAL 120 Cb -0.18 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 1x9l s VAL 120 CO 0.17 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 1x9l n GLY 121 N 5.92 0.99 3.73 6.54 0.00 0.58 -4.98 105.19 117.97 1x9l n GLY 121 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 1x9l n GLY 121 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x9l s GLU 122 N -0.07 -0.81 -0.22 1.61 2.12 0.07 -4.86 118.70 116.54 1x9l s GLU 122 Ca 0.00 -0.36 -0.15 0.00 0.36 0.00 0.00 54.97 54.83 1x9l s GLU 122 Cb 0.00 -1.67 0.07 0.00 0.26 0.00 0.00 34.13 32.78 1x9l s GLU 122 CO 0.00 -3.39 0.56 0.99 -0.54 0.00 0.00 175.26 172.88 1x9l s THR 123 N -3.43 -0.01 0.01 -1.70 2.01 -1.26 -0.91 115.64 110.36 1x9l s THR 123 Ca 0.74 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.79 1x9l s THR 123 Cb -0.05 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 1x9l s THR 123 CO 0.55 0.01 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.75 1x9l s VAL 124 N 1.19 0.38 -0.11 3.82 1.01 0.30 -4.93 120.40 122.05 1x9l s VAL 124 Ca -0.07 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1x9l s VAL 124 Cb -0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1x9l s VAL 124 CO -0.12 -0.10 1.05 0.21 0.00 0.00 0.00 175.10 176.14 1x9l s ASN 125 N -0.67 7.19 0.79 3.32 3.84 -1.26 -0.39 114.94 127.76 1x9l s ASN 125 Ca -0.03 1.56 -0.11 0.00 0.21 0.00 0.00 52.86 54.49 1x9l s ASN 125 Cb -0.05 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.18 1x9l s ASN 125 CO -0.00 -0.50 1.14 -0.51 -2.79 0.00 0.00 177.10 174.44 1x9l s ILE 126 N 2.21 2.07 -0.14 -5.21 2.07 0.52 -4.38 121.20 118.35 1x9l s ILE 126 Ca 0.49 -0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.61 1x9l s ILE 126 Cb -0.19 -3.00 0.07 0.00 0.13 0.00 0.00 42.46 39.47 1x9l s ILE 126 CO 0.17 0.00 0.25 -0.89 -1.91 0.00 0.00 174.94 172.56 1x9l s THR 127 N -3.50 -0.39 0.36 4.00 2.01 0.10 -3.61 115.64 114.61 1x9l s THR 127 Ca 0.62 0.23 -0.14 0.00 0.31 0.00 0.00 61.69 62.71 1x9l s THR 127 Cb -0.11 -0.47 -0.08 0.00 0.01 0.00 0.00 72.50 71.85 1x9l s THR 127 CO 0.48 0.07 0.78 -0.22 -0.69 0.00 0.00 174.62 175.04 1x9l s LEU 128 N 2.40 3.96 -0.49 4.42 1.98 0.17 -0.25 118.68 130.87 1x9l s LEU 128 Ca 0.03 1.29 0.06 0.00 -2.89 0.00 0.00 54.13 52.62 1x9l s LEU 128 Cb -0.13 -4.13 0.19 0.00 0.66 0.00 0.00 46.19 42.79 1x9l s LEU 128 CO -0.09 -0.29 0.64 1.17 -1.89 0.00 0.00 176.35 175.89 1x9l n LYS 129 N -0.71 0.48 -2.63 1.98 4.81 -1.20 -3.61 118.16 117.28 1x9l n LYS 129 Ca 0.04 -2.32 -0.43 0.00 -0.87 0.00 0.00 58.31 54.73 1x9l n LYS 129 Cb 0.53 -1.51 -0.02 0.00 0.02 0.00 0.00 35.03 34.05 1x9l n LYS 129 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x9l s ALA 130 N 0.59 3.51 0.00 3.14 0.00 -1.26 -2.32 121.76 125.42 1x9l s ALA 130 Ca 0.31 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1x9l s ALA 130 Cb 0.04 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1x9l s ALA 130 CO -0.11 -0.78 0.00 0.25 0.00 0.00 0.00 175.76 175.12 1x9l n THR 131 N 4.82 0.00 -2.71 0.00 -2.24 -1.25 -0.64 114.28 112.26 1x9l n THR 131 Ca 0.10 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1x9l n THR 131 Cb 0.47 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.80 1x9l n THR 131 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x9l n ASP 132 N 1.29 -2.00 -1.12 3.42 -0.08 -1.26 -4.97 116.55 111.83 1x9l n ASP 132 Ca 0.00 -3.07 0.00 0.00 -1.51 0.00 0.00 54.79 50.21 1x9l n ASP 132 Cb 0.00 1.62 -0.01 0.00 2.34 0.00 0.00 41.12 45.07 1x9l n ASP 132 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x9l n GLY 133 N 0.23 0.79 2.39 0.27 0.00 0.19 -4.92 105.19 104.13 1x9l n GLY 133 Ca 0.01 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1x9l n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x9l n ARG 134 N 0.25 0.96 -1.51 1.61 5.12 -1.24 -4.94 116.66 116.91 1x9l n ARG 134 Ca -0.04 -2.84 -0.39 0.00 -1.93 0.00 0.00 57.85 52.65 1x9l n ARG 134 Cb 0.91 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.74 1x9l n ARG 134 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1x9l n THR 135 N 0.43 4.59 -2.98 0.55 -1.04 -1.26 -3.69 114.28 110.89 1x9l n THR 135 Ca 0.18 -3.10 -0.33 0.00 -2.04 0.00 0.00 64.05 58.77 1x9l n THR 135 Cb 0.66 -2.46 -0.07 0.00 -1.82 0.00 0.00 70.33 66.65 1x9l n THR 135 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x9l s LEU 136 N -0.48 4.01 -0.47 -4.42 1.02 -1.24 -4.85 118.68 112.24 1x9l s LEU 136 Ca 0.65 1.49 0.09 0.00 0.02 0.00 0.00 54.13 56.37 1x9l s LEU 136 Cb 0.18 -4.31 0.34 0.00 0.02 0.00 0.00 46.19 42.42 1x9l s LEU 136 CO -0.07 -0.28 0.82 -0.46 0.02 0.00 0.00 176.35 176.38 1x9l n ASN 137 N -0.49 2.51 -4.84 2.29 6.94 -1.26 -0.66 115.26 119.76 1x9l n ASN 137 Ca 0.05 -3.31 -0.32 0.00 -0.02 0.00 0.00 54.58 50.98 1x9l n ASN 137 Cb 0.54 -0.60 -0.06 0.00 -2.36 0.00 0.00 39.78 37.30 1x9l n ASN 137 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1x9l s VAL 138 N -3.28 4.52 -0.25 3.53 1.01 -1.24 -4.75 120.40 119.94 1x9l s VAL 138 Ca 0.44 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 63.39 1x9l s VAL 138 Cb 0.31 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1x9l s VAL 138 CO -0.10 -0.36 0.92 0.00 0.00 0.00 0.00 175.10 175.55 1x9l s ALA 139 N -2.22 3.65 -0.15 5.51 0.00 -1.26 -0.36 121.76 126.94 1x9l s ALA 139 Ca 0.59 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1x9l s ALA 139 Cb -0.10 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1x9l s ALA 139 CO 0.19 -1.02 0.22 0.00 0.00 0.00 0.00 175.76 175.15 1x9l s ALA 140 N 3.03 3.70 0.27 0.00 0.00 0.47 -4.30 121.76 124.93 1x9l s ALA 140 Ca 0.39 -0.54 -0.23 0.00 0.00 0.00 0.00 51.96 51.58 1x9l s ALA 140 Cb -0.15 -2.23 -0.09 0.00 0.00 0.00 0.00 23.12 20.65 1x9l s ALA 140 CO 0.08 0.28 0.83 0.99 0.00 0.00 0.00 175.76 177.93 1x9l s THR 141 N -0.08 4.39 -0.43 0.00 2.01 0.43 -0.54 115.64 121.42 1x9l s THR 141 Ca 0.14 1.55 -0.14 0.00 0.31 0.00 0.00 61.69 63.56 1x9l s THR 141 Cb -0.13 -3.94 0.05 0.00 0.01 0.00 0.00 72.50 68.50 1x9l s THR 141 CO 0.03 0.19 0.32 -0.69 -0.69 0.00 0.00 174.62 173.78 1x9l s VAL 142 N -1.55 5.03 -0.09 3.82 1.01 -0.09 -0.57 120.40 127.96 1x9l s VAL 142 Ca 0.46 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 1x9l s VAL 142 Cb -0.18 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1x9l s VAL 142 CO 0.22 -0.44 0.57 -1.59 0.00 0.00 0.00 175.10 173.86 1x9l s LYS 143 N 1.61 0.87 0.93 2.72 -2.85 0.69 -0.31 119.74 123.40 1x9l s LYS 143 Ca 0.04 0.32 -0.11 0.00 -1.00 0.00 0.00 55.97 55.22 1x9l s LYS 143 Cb -0.22 0.41 0.15 0.00 -2.06 0.00 0.00 37.83 36.11 1x9l s LYS 143 CO 0.07 -0.23 1.11 0.15 0.10 0.00 0.00 175.35 176.55 1x9l s LYS 144 N -0.79 0.90 -0.23 1.78 1.02 -1.26 -3.36 119.74 117.80 1x9l s LYS 144 Ca -0.08 1.23 -0.03 0.00 0.02 0.00 0.00 55.97 57.11 1x9l s LYS 144 Cb -0.02 -1.74 0.11 0.00 -0.52 0.00 0.00 37.83 35.65 1x9l s LYS 144 CO 0.06 -2.61 0.24 -0.80 -0.92 0.00 0.00 175.35 171.33 1x9l s ASN 145 N -2.89 1.49 -0.49 2.83 0.01 -1.26 -4.94 114.94 109.70 1x9l s ASN 145 Ca 0.66 -0.37 -0.17 0.00 -0.71 0.00 0.00 52.86 52.27 1x9l s ASN 145 Cb -0.21 0.41 0.02 0.00 0.41 0.00 0.00 41.25 41.88 1x9l s ASN 145 CO 0.59 -0.34 0.62 -0.38 -1.51 0.00 0.00 177.10 176.08 1x9l n ILE 146 N 5.32 -9.68 -3.51 0.60 -0.00 -1.26 -5.06 119.36 105.77 1x9l n ILE 146 Ca -0.05 0.60 -0.00 0.00 -0.00 0.00 0.00 62.75 63.30 1x9l n ILE 146 Cb 0.48 -6.56 -0.04 0.00 -0.00 0.00 0.00 39.64 33.52 1x9l n ILE 146 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1x9l s GLU 147 N -2.71 0.39 0.00 0.38 -6.30 -1.26 -4.88 118.70 104.32 1x9l s GLU 147 Ca 0.23 0.92 0.00 0.00 -2.50 0.00 0.00 54.97 53.62 1x9l s GLU 147 Cb -0.05 0.48 0.00 0.00 0.00 0.00 0.00 34.13 34.56 1x9l s GLU 147 CO 0.79 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.35 1x9l n GLY 148 N 4.89 0.89 3.31 -1.50 0.00 -1.26 -5.05 105.19 106.47 1x9l n GLY 148 Ca -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19