#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 3.04 3.67 3.03 0.00 -1.26 -4.78 105.19 108.89 1x9l n GLY 2 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 4.24 0.29 0.05 1.61 0.00 -1.26 -5.19 115.29 115.03 1x9l s HIS 3 Ca 0.52 -0.71 -0.02 0.00 -3.00 0.00 0.00 55.06 51.86 1x9l s HIS 3 Cb 0.13 0.37 0.01 0.00 -4.00 0.00 0.00 32.58 29.09 1x9l s HIS 3 CO 0.04 -1.15 0.10 -2.37 -1.00 0.00 0.00 174.74 170.36 1x9l n THR 4 N -0.45 0.00 -3.87 -5.38 5.66 -1.26 -5.19 114.28 103.79 1x9l n THR 4 Ca -0.03 -0.17 -0.11 0.00 -3.05 0.00 0.00 64.05 60.70 1x9l n THR 4 Cb 0.61 0.14 -0.10 0.00 -1.55 0.00 0.00 70.33 69.42 1x9l n THR 4 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1x9l s MET 5 N -2.04 0.41 1.05 1.09 1.00 -1.26 -5.14 119.30 114.41 1x9l s MET 5 Ca 0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 55.69 55.24 1x9l s MET 5 Cb -0.01 0.17 0.22 0.00 0.00 0.00 0.00 34.83 35.21 1x9l s MET 5 CO 0.02 -0.09 1.18 -1.25 0.00 0.00 0.00 175.02 174.88 1x9l s PRO 6 N -1.14 0.01 -0.04 2.03 0.04 -1.26 -5.11 135.00 129.53 1x9l s PRO 6 Ca -0.12 -0.07 -0.06 0.00 0.04 0.00 0.00 61.00 60.79 1x9l s PRO 6 Cb -0.07 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.74 1x9l s PRO 6 CO 0.01 -2.89 0.14 0.00 0.04 0.00 0.00 177.00 174.30 1x9l s ALA 7 N -3.36 -0.35 -1.10 8.56 0.00 -1.26 -5.08 121.76 119.18 1x9l s ALA 7 Ca 0.70 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.73 1x9l s ALA 7 Cb -0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 1x9l s ALA 7 CO 0.54 -0.11 1.96 0.72 0.00 0.00 0.00 175.76 178.87 1x9l n HIS 8 N 2.59 2.86 -2.71 0.00 8.25 -1.26 -4.92 115.22 120.03 1x9l n HIS 8 Ca -0.15 -2.11 -0.42 0.00 -0.26 0.00 0.00 57.72 54.77 1x9l n HIS 8 Cb 0.58 -2.26 -0.03 0.00 1.12 0.00 0.00 29.99 29.40 1x9l n HIS 8 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1x9l s THR 9 N 6.11 4.19 0.65 1.59 2.01 -1.26 -5.05 115.64 123.88 1x9l s THR 9 Ca 0.58 0.54 -0.12 0.00 0.31 0.00 0.00 61.69 63.00 1x9l s THR 9 Cb 0.09 -4.64 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1x9l s THR 9 CO 0.08 -1.26 1.05 -2.16 -0.69 0.00 0.00 174.62 171.64 1x9l s PRO 10 N 4.47 3.23 -1.11 4.92 0.04 -1.26 -4.92 135.00 140.37 1x9l s PRO 10 Ca 0.36 0.93 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 1x9l s PRO 10 Cb -0.10 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1x9l s PRO 10 CO 0.21 -0.87 2.19 -0.35 0.04 0.00 0.00 177.00 178.23 1x9l n PRO 11 N -2.80 2.30 -4.07 0.56 -0.04 -1.26 -4.81 135.00 124.89 1x9l n PRO 11 Ca 0.07 -2.01 -0.11 0.00 -0.04 0.00 0.00 63.50 61.41 1x9l n PRO 11 Cb 0.54 -2.90 -0.06 0.00 -0.04 0.00 0.00 33.50 31.04 1x9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l s ALA 12 N 3.76 0.36 0.06 0.55 0.00 -1.26 -5.19 121.76 120.05 1x9l s ALA 12 Ca 0.52 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1x9l s ALA 12 Cb 0.14 1.16 -0.04 0.00 0.00 0.00 0.00 23.12 24.38 1x9l s ALA 12 CO 0.00 -0.78 -0.04 -0.65 0.00 0.00 0.00 175.76 174.29 1x9l s GLN 13 N -3.75 0.67 0.06 0.00 1.11 -1.26 -5.18 119.66 111.30 1x9l s GLN 13 Ca 0.28 -1.24 -0.23 0.00 0.01 0.00 0.00 55.36 54.18 1x9l s GLN 13 Cb 0.01 0.10 0.06 0.00 -1.01 0.00 0.00 33.01 32.16 1x9l s GLN 13 CO 0.13 -0.08 0.55 0.99 0.01 0.00 0.00 175.29 176.89 1x9l s THR 14 N -3.80 0.02 0.25 -0.19 2.01 -1.26 -5.14 115.64 107.53 1x9l s THR 14 Ca 0.08 -0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.59 1x9l s THR 14 Cb 0.07 -0.99 -0.13 0.00 0.01 0.00 0.00 72.50 71.46 1x9l s THR 14 CO -0.08 -0.10 1.52 0.00 -0.69 0.00 0.00 174.62 175.27 1x9l n ALA 15 N 0.29 1.82 -0.64 7.40 0.00 -1.26 -4.84 120.51 123.28 1x9l n ALA 15 Ca -0.18 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1x9l n ALA 15 Cb 0.61 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 1x9l n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x9l n PRO 16 N 2.38 1.28 -1.13 0.00 -0.04 -1.26 -4.61 135.00 131.62 1x9l n PRO 16 Ca 0.11 -0.35 -0.20 0.00 -0.04 0.00 0.00 63.50 63.02 1x9l n PRO 16 Cb 0.33 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 1x9l n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 17 N 1.91 6.67 -1.00 0.55 0.00 -1.26 -4.83 120.51 122.55 1x9l n ALA 17 Ca 0.15 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 51.24 1x9l n ALA 17 Cb 0.61 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1x9l n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n ALA 18 N 2.62 0.00 -1.78 0.00 0.00 -1.26 -0.45 120.51 119.64 1x9l n ALA 18 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.54 1x9l n ALA 18 Cb 0.72 0.09 -0.00 0.00 0.00 0.00 0.00 19.45 20.26 1x9l n ALA 18 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x9l n GLN 19 N -0.52 2.83 0.07 0.00 -0.06 -1.26 -3.72 117.38 114.71 1x9l n GLN 19 Ca 0.00 -2.63 0.00 0.00 -2.00 0.00 0.00 57.00 52.37 1x9l n GLN 19 Cb 0.00 -3.30 0.00 0.00 -4.06 0.00 0.00 30.24 22.88 1x9l n GLN 19 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1x9l n LYS 20 N 6.32 0.00 0.00 3.69 5.02 -1.03 -5.08 118.16 127.08 1x9l n LYS 20 Ca 0.52 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1x9l n LYS 20 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 1x9l n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x9l n ALA 21 N -2.66 0.00 -1.03 7.82 0.00 0.40 -4.80 120.51 120.24 1x9l n ALA 21 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1x9l n ALA 21 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1x9l n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x9l n GLY 22 N 0.00 3.28 0.07 0.00 0.00 -1.26 -4.10 105.19 103.18 1x9l n GLY 22 Ca 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 46.02 44.84 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 5.17 0.52 -3.34 4.61 0.00 -1.26 -5.06 120.51 121.14 1x9l n ALA 23 Ca 0.52 -0.54 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 1x9l n ALA 23 Cb 0.24 0.02 0.07 0.00 0.00 0.00 0.00 19.45 19.78 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 -3.53 -3.19 0.00 0.00 6.02 -1.26 -4.72 117.38 110.70 1x9l n GLN 24 Ca -0.07 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1x9l n GLN 24 Cb 0.27 -5.68 0.00 0.00 1.02 0.00 0.00 30.24 25.86 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 -3.54 0.00 -3.64 -1.58 0.00 -1.26 -4.91 120.51 105.58 1x9l n ALA 25 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1x9l n ALA 25 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.94 0.75 0.00 0.20 -1.26 -5.17 118.68 112.26 1x9l s LEU 26 Ca 0.00 1.51 -0.12 0.00 0.69 0.00 0.00 54.13 56.21 1x9l s LEU 26 Cb 0.00 2.39 0.04 0.00 -0.43 0.00 0.00 46.19 48.19 1x9l s LEU 26 CO 0.00 -0.24 1.10 -2.16 -0.29 0.00 0.00 176.35 174.76 1x9l s PRO 27 N 1.59 2.38 -1.10 0.98 0.04 -1.26 -4.77 135.00 132.86 1x9l s PRO 27 Ca -0.10 1.22 -0.08 0.00 0.04 0.00 0.00 61.00 62.09 1x9l s PRO 27 Cb -0.05 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1x9l s PRO 27 CO -0.19 -1.55 3.03 1.33 0.04 0.00 0.00 177.00 179.66 1x9l n VAL 28 N -3.26 4.07 -2.84 -0.36 0.24 -1.26 -4.41 118.33 110.51 1x9l n VAL 28 Ca 0.09 -2.60 -0.05 0.00 -2.04 0.00 0.00 64.34 59.75 1x9l n VAL 28 Cb 0.53 -2.32 0.00 0.00 -1.47 0.00 0.00 33.84 30.58 1x9l n VAL 28 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1x9l s THR 29 N 1.09 -0.93 -0.46 3.34 -1.32 -1.26 -4.53 115.64 111.57 1x9l s THR 29 Ca 0.66 -0.97 0.03 0.00 -1.21 0.00 0.00 61.69 60.20 1x9l s THR 29 Cb 0.23 -0.06 0.15 0.00 -1.51 0.00 0.00 72.50 71.31 1x9l s THR 29 CO -0.06 -0.06 0.30 0.54 -2.21 0.00 0.00 174.62 173.13 1x9l s VAL 30 N 0.94 1.12 0.07 5.08 0.11 -1.26 -5.00 120.40 121.46 1x9l s VAL 30 Ca 0.28 -2.71 -0.24 0.00 -2.93 0.00 0.00 61.98 56.38 1x9l s VAL 30 Cb -0.00 -1.78 0.06 0.00 -1.53 0.00 0.00 36.38 33.13 1x9l s VAL 30 CO -0.06 -1.03 0.57 -1.58 -3.33 0.00 0.00 175.10 169.67 1x9l s GLN 31 N 0.10 1.12 0.19 1.54 2.00 -1.26 -4.51 119.66 118.84 1x9l s GLN 31 Ca 0.23 -0.24 -0.30 0.00 -2.00 0.00 0.00 55.36 53.05 1x9l s GLN 31 Cb -0.13 0.51 -0.08 0.00 0.80 0.00 0.00 33.01 34.12 1x9l s GLN 31 CO -0.08 -0.43 1.01 0.20 -0.50 0.00 0.00 175.29 175.50 1x9l s GLY 32 N -2.12 3.01 -0.34 2.59 0.00 -1.26 -4.94 107.32 104.26 1x9l s GLY 32 Ca -0.04 0.70 -0.24 0.00 0.00 0.00 0.00 44.72 45.14 1x9l s GLY 32 CO -0.04 1.43 0.83 0.00 0.00 0.00 0.00 173.10 175.33 1x9l s ALA 33 N -0.59 3.47 0.23 3.20 0.00 -1.26 -4.50 121.76 122.31 1x9l s ALA 33 Ca 0.45 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.02 1x9l s ALA 33 Cb -0.27 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1x9l s ALA 33 CO 0.33 -1.39 0.07 0.99 0.00 0.00 0.00 175.76 175.77 1x9l s THR 34 N 3.15 3.94 -0.02 0.00 2.01 -0.29 -0.92 115.64 123.51 1x9l s THR 34 Ca 0.34 -1.55 0.03 0.00 0.31 0.00 0.00 61.69 60.82 1x9l s THR 34 Cb -0.13 -3.07 -0.00 0.00 0.01 0.00 0.00 72.50 69.30 1x9l s THR 34 CO 0.15 -0.28 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.02 1x9l s VAL 35 N -2.06 0.79 -0.35 3.82 1.01 0.80 -0.03 120.40 124.38 1x9l s VAL 35 Ca 0.31 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1x9l s VAL 35 Cb -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1x9l s VAL 35 CO 0.22 0.24 1.29 0.00 0.00 0.00 0.00 175.10 176.84 1x9l s ALA 36 N 0.01 3.27 0.04 5.51 0.00 -1.19 -0.13 121.76 129.27 1x9l s ALA 36 Ca -0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 51.96 51.56 1x9l s ALA 36 Cb -0.07 -3.82 -0.14 0.00 0.00 0.00 0.00 23.12 19.09 1x9l s ALA 36 CO 0.00 -1.96 1.58 0.00 0.00 0.00 0.00 175.76 175.39 1x9l n ALA 37 N 7.88 0.42 0.00 0.00 0.00 -1.26 -4.49 120.51 123.06 1x9l n ALA 37 Ca 0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1x9l n ALA 37 Cb 0.47 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 3.61 0.00 -0.86 0.00 0.31 -1.26 -4.69 118.33 115.44 1x9l n VAL 38 Ca 0.19 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.24 1x9l n VAL 38 Cb 0.24 0.00 0.21 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 -0.14 0.00 5.55 0.02 -1.26 -4.86 135.00 134.31 1x9l s PRO 39 Ca 0.00 0.74 -0.01 0.00 0.02 0.00 0.00 61.00 61.74 1x9l s PRO 39 Cb 0.00 -1.65 -0.07 0.00 0.02 0.00 0.00 34.50 32.80 1x9l s PRO 39 CO 0.00 -3.17 1.91 -0.35 -0.33 0.00 0.00 177.00 175.06 1x9l n PRO 40 N -4.52 0.98 -1.85 5.54 -0.04 -1.25 -3.55 135.00 130.31 1x9l n PRO 40 Ca 0.05 -0.24 -0.01 0.00 -0.04 0.00 0.00 63.50 63.25 1x9l n PRO 40 Cb 0.55 -1.38 0.06 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.96 1.84 -0.46 3.54 2.88 -1.25 -5.07 113.62 117.06 1x9l n SER 41 Ca 0.10 -2.56 0.06 0.00 -1.33 0.00 0.00 58.87 55.14 1x9l n SER 41 Cb 0.47 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.28 0.00 -0.32 2.46 2.08 -1.23 -4.37 119.36 117.70 1x9l n ILE 42 Ca 0.14 0.11 -0.00 0.00 0.56 0.00 0.00 62.75 63.56 1x9l n ILE 42 Cb 0.94 -0.27 -0.00 0.00 -0.75 0.00 0.00 39.64 39.56 1x9l n ILE 42 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1x9l n ARG 43 N -2.77 0.64 -3.67 0.38 1.85 -1.26 -4.45 116.66 107.37 1x9l n ARG 43 Ca -0.01 -0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.61 1x9l n ARG 43 Cb 0.21 -1.18 -0.02 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 2.00 6.32 0.00 2.89 1.47 -1.26 -0.50 116.67 127.59 1x9l s ASP 44 Ca 0.00 0.29 0.00 0.00 1.18 0.00 0.00 52.55 54.02 1x9l s ASP 44 Cb 0.00 -1.96 0.00 0.00 -0.34 0.00 0.00 42.92 40.62 1x9l s ASP 44 CO 0.00 -0.16 0.00 1.07 0.68 0.00 0.00 175.17 176.76 1x9l n THR 45 N -1.43 0.00 -4.12 2.11 5.66 -0.90 -4.34 114.28 111.26 1x9l n THR 45 Ca -0.06 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.80 1x9l n THR 45 Cb 0.56 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.28 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 -1.12 0.76 0.67 1.79 0.00 -1.26 -1.82 121.76 120.78 1x9l s ALA 46 Ca 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 1x9l s ALA 46 Cb 0.00 1.23 -0.01 0.00 0.00 0.00 0.00 23.12 24.34 1x9l s ALA 46 CO 0.00 -0.74 1.06 0.00 0.00 0.00 0.00 175.76 176.07 1x9l s ALA 47 N -3.60 2.90 -0.29 0.00 0.00 -1.19 -3.19 121.76 116.39 1x9l s ALA 47 Ca 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 1x9l s ALA 47 Cb 0.02 -3.09 0.09 0.00 0.00 0.00 0.00 23.12 20.14 1x9l s ALA 47 CO 0.16 -0.98 0.07 0.71 0.00 0.00 0.00 175.76 175.72 1x9l s TYR 48 N -3.19 1.92 0.35 0.00 1.51 0.95 -3.74 117.35 115.15 1x9l s TYR 48 Ca 0.57 -1.77 -0.12 0.00 -1.01 0.00 0.00 57.07 54.74 1x9l s TYR 48 Cb -0.12 -1.75 0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1x9l s TYR 48 CO 0.54 -0.84 0.68 -0.12 -1.11 0.00 0.00 175.55 174.69 1x9l n MET 49 N 4.79 0.97 -3.71 -0.62 1.56 0.31 -1.13 117.12 119.29 1x9l n MET 49 Ca -0.03 -2.06 -0.13 0.00 -0.27 0.00 0.00 57.70 55.20 1x9l n MET 49 Cb 0.43 2.49 -0.09 0.00 2.15 0.00 0.00 33.22 38.19 1x9l n MET 49 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1x9l s THR 50 N -2.27 0.00 0.11 1.12 2.01 -1.26 -0.87 115.64 114.48 1x9l s THR 50 Ca 0.16 -0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.85 1x9l s THR 50 Cb -0.04 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 1x9l s THR 50 CO 0.12 -0.02 0.86 -0.76 -0.69 0.00 0.00 174.62 174.13 1x9l s LEU 51 N 0.09 4.51 -0.68 4.42 1.02 -0.08 -4.35 118.68 123.61 1x9l s LEU 51 Ca -0.01 1.67 0.05 0.00 0.02 0.00 0.00 54.13 55.85 1x9l s LEU 51 Cb -0.03 -3.42 0.17 0.00 0.02 0.00 0.00 46.19 42.92 1x9l s LEU 51 CO 0.01 0.03 0.47 -0.89 0.02 0.00 0.00 176.35 176.00 1x9l s THR 52 N -0.33 2.78 -1.01 5.49 2.01 -1.26 -2.99 115.64 120.33 1x9l s THR 52 Ca 0.42 -4.16 -0.22 0.00 0.31 0.00 0.00 61.69 58.03 1x9l s THR 52 Cb -0.23 -2.84 0.07 0.00 0.01 0.00 0.00 72.50 69.52 1x9l s THR 52 CO 0.27 -1.00 1.39 0.20 -0.69 0.00 0.00 174.62 174.79 1x9l s ASN 53 N -1.33 6.54 -1.19 3.53 -0.87 -0.24 -4.25 114.94 117.13 1x9l s ASN 53 Ca 0.25 -1.60 -0.08 0.00 -1.57 0.00 0.00 52.86 49.86 1x9l s ASN 53 Cb -0.06 -2.54 -0.06 0.00 -0.02 0.00 0.00 41.25 38.58 1x9l s ASN 53 CO -0.16 -1.41 2.94 0.29 -2.57 0.00 0.00 177.10 176.19 1x9l n LYS 54 N 8.40 3.52 0.00 -0.60 5.02 -1.26 -4.35 118.16 128.88 1x9l n LYS 54 Ca 0.32 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 1x9l n LYS 54 Cb 0.50 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1x9l n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x9l n SER 55 N 2.77 0.00 -3.61 4.39 2.88 -1.26 -4.77 113.62 114.02 1x9l n SER 55 Ca 0.67 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.80 1x9l n SER 55 Cb 0.38 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.83 1x9l n SER 55 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x9l n ASP 56 N 0.00 5.11 -3.90 -3.46 8.00 -1.26 -2.83 116.55 118.20 1x9l n ASP 56 Ca 0.00 -2.76 -0.25 0.00 0.71 0.00 0.00 54.79 52.49 1x9l n ASP 56 Cb 0.00 -1.61 -0.17 0.00 -0.02 0.00 0.00 41.12 39.32 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 2.99 1.36 -0.32 -1.24 -1.52 -1.25 -4.73 119.66 114.95 1x9l s GLN 57 Ca 0.53 -0.21 -0.28 0.00 -1.95 0.00 0.00 55.36 53.45 1x9l s GLN 57 Cb 0.15 -1.40 0.02 0.00 -0.22 0.00 0.00 33.01 31.55 1x9l s GLN 57 CO -0.08 -0.21 1.04 -1.25 -0.25 0.00 0.00 175.29 174.55 1x9l s PRO 58 N 1.51 4.04 -0.33 2.91 0.04 -1.26 -3.63 135.00 138.28 1x9l s PRO 58 Ca 0.00 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.02 1x9l s PRO 58 Cb -0.13 -3.74 0.11 0.00 0.04 0.00 0.00 34.50 30.78 1x9l s PRO 58 CO -0.05 -0.89 0.15 0.42 0.04 0.00 0.00 177.00 176.67 1x9l s ILE 59 N 3.59 0.48 0.06 0.56 1.09 -1.19 -4.88 121.20 120.91 1x9l s ILE 59 Ca 0.44 -1.39 -0.30 0.00 -1.10 0.00 0.00 60.65 58.30 1x9l s ILE 59 Cb -0.12 -1.37 -0.05 0.00 -1.06 0.00 0.00 42.46 39.86 1x9l s ILE 59 CO 0.15 -0.78 0.95 -1.59 -0.10 0.00 0.00 174.94 173.57 1x9l s LYS 60 N 1.51 4.63 -0.06 2.79 -2.85 -1.26 -4.50 119.74 120.01 1x9l s LYS 60 Ca 0.12 1.41 0.02 0.00 -1.00 0.00 0.00 55.97 56.52 1x9l s LYS 60 Cb -0.19 -3.41 -0.03 0.00 -2.06 0.00 0.00 37.83 32.14 1x9l s LYS 60 CO -0.21 0.12 -0.09 -0.51 0.10 0.00 0.00 175.35 174.76 1x9l s LEU 61 N 0.38 3.02 -0.38 2.77 1.02 -1.26 -3.43 118.68 120.81 1x9l s LEU 61 Ca 0.48 -0.09 0.12 0.00 0.02 0.00 0.00 54.13 54.67 1x9l s LEU 61 Cb -0.22 -1.65 0.38 0.00 0.02 0.00 0.00 46.19 44.72 1x9l s LEU 61 CO 0.29 0.35 0.93 0.55 0.02 0.00 0.00 176.35 178.49 1x9l n VAL 62 N 2.22 0.18 -3.48 -1.59 3.14 -0.02 -4.11 118.33 114.67 1x9l n VAL 62 Ca -0.18 -3.25 -0.15 0.00 -2.96 0.00 0.00 64.34 57.80 1x9l n VAL 62 Cb 0.53 0.46 -0.04 0.00 -1.06 0.00 0.00 33.84 33.73 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 -2.25 -0.59 -0.46 7.55 0.00 -0.84 -4.64 107.32 106.09 1x9l s GLY 63 Ca 0.31 0.93 0.07 0.00 0.00 0.00 0.00 44.72 46.03 1x9l s GLY 63 CO -0.04 0.59 0.73 0.00 0.00 0.00 0.00 173.10 174.37 1x9l n ALA 64 N 0.33 -0.16 -2.03 3.20 0.00 -1.26 -3.66 120.51 116.93 1x9l n ALA 64 Ca -0.18 -2.00 -0.36 0.00 0.00 0.00 0.00 53.44 50.91 1x9l n ALA 64 Cb 0.61 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 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 0.18 3.34 -0.70 0.00 0.00 0.58 -3.28 121.76 121.89 1x9l s ALA 65 Ca 0.33 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 1x9l s ALA 65 Cb 0.17 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.40 1x9l s ALA 65 CO -0.18 0.29 0.48 -2.37 0.00 0.00 0.00 175.76 173.98 1x9l n THR 66 N 0.45 -2.47 0.00 0.00 5.66 -1.26 -0.71 114.28 115.95 1x9l n THR 66 Ca -0.00 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1x9l n THR 66 Cb 0.51 -2.19 0.00 0.00 -1.55 0.00 0.00 70.33 67.11 1x9l n THR 66 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1x9l n PRO 67 N -2.49 0.00 -2.45 1.09 -0.04 -1.21 -3.97 135.00 125.94 1x9l n PRO 67 Ca -0.24 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.19 1x9l n PRO 67 Cb 0.54 -0.55 0.08 0.00 -0.04 0.00 0.00 33.50 33.53 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 -0.16 -1.25 0.00 1.53 0.00 -1.26 -4.54 117.00 111.32 1x9l n LEU 68 Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 56.01 53.34 1x9l n LEU 68 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 43.42 43.77 1x9l n LEU 68 CO 0.00 1.55 0.00 0.00 0.00 0.00 0.00 177.39 178.94 1x9l n ALA 69 N -0.90 0.00 -0.11 1.96 0.00 -1.26 -4.47 120.51 115.73 1x9l n ALA 69 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1x9l n ALA 69 Cb 0.77 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.12 1x9l n ALA 69 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x9l n THR 70 N 0.00 1.21 -4.00 0.00 5.66 -0.09 -4.57 114.28 112.48 1x9l n THR 70 Ca 0.00 -0.46 -0.31 0.00 -3.05 0.00 0.00 64.05 60.23 1x9l n THR 70 Cb 0.00 -1.25 -0.15 0.00 -1.55 0.00 0.00 70.33 67.38 1x9l n THR 70 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1x9l s SER 71 N -6.04 4.39 0.14 1.09 0.15 0.53 -4.97 113.70 108.99 1x9l s SER 71 Ca -0.28 -1.60 -0.24 0.00 0.70 0.00 0.00 55.95 54.52 1x9l s SER 71 Cb 0.07 -1.44 -0.08 0.00 -1.71 0.00 0.00 66.02 62.86 1x9l s SER 71 CO 0.49 -0.27 0.74 -2.16 1.20 0.00 0.00 173.24 173.23 1x9l s PRO 72 N 1.14 4.50 -0.03 5.44 0.04 -1.26 -0.75 135.00 144.07 1x9l s PRO 72 Ca -0.01 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.10 1x9l s PRO 72 Cb -0.19 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.11 1x9l s PRO 72 CO -0.08 0.57 0.01 -1.64 0.04 0.00 0.00 177.00 175.91 1x9l s MET 73 N -1.07 0.21 0.21 4.56 -1.94 0.59 -4.97 119.30 116.89 1x9l s MET 73 Ca 0.35 0.14 -0.29 0.00 -1.71 0.00 0.00 55.69 54.18 1x9l s MET 73 Cb -0.22 -0.48 -0.08 0.00 2.01 0.00 0.00 34.83 36.05 1x9l s MET 73 CO 0.25 -0.18 0.91 -0.51 -0.01 0.00 0.00 175.02 175.47 1x9l s LEU 74 N 1.26 4.62 0.04 -0.03 1.43 -1.26 0.26 118.68 125.00 1x9l s LEU 74 Ca -0.07 1.87 -0.03 0.00 -1.03 0.00 0.00 54.13 54.87 1x9l s LEU 74 Cb -0.13 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1x9l s LEU 74 CO -0.02 0.15 0.03 -0.32 0.23 0.00 0.00 176.35 176.42 1x9l s MET 75 N -1.04 0.52 -0.15 1.70 1.75 0.83 -2.67 119.30 120.24 1x9l s MET 75 Ca 0.40 -0.83 -0.05 0.00 -1.25 0.00 0.00 55.69 53.96 1x9l s MET 75 Cb -0.25 0.19 0.07 0.00 2.84 0.00 0.00 34.83 37.69 1x9l s MET 75 CO 0.31 -0.11 0.31 -0.08 -0.65 0.00 0.00 175.02 174.79 1x9l s THR 76 N -2.62 -0.48 -0.41 10.11 -1.32 -1.26 -1.24 115.64 118.42 1x9l s THR 76 Ca -0.05 0.25 0.09 0.00 -1.21 0.00 0.00 61.69 60.77 1x9l s THR 76 Cb -0.01 -0.51 0.37 0.00 -1.51 0.00 0.00 72.50 70.84 1x9l s THR 76 CO -0.05 0.10 1.19 1.07 -2.21 0.00 0.00 174.62 174.72 1x9l n THR 77 N 5.35 0.09 -4.34 5.08 5.66 -0.60 -2.34 114.28 123.17 1x9l n THR 77 Ca -0.07 -1.89 -0.21 0.00 -3.05 0.00 0.00 64.05 58.83 1x9l n THR 77 Cb 0.50 1.04 -0.08 0.00 -1.55 0.00 0.00 70.33 70.24 1x9l n THR 77 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1x9l s THR 78 N -0.32 0.12 -0.13 1.09 -1.32 0.61 -4.23 115.64 111.46 1x9l s THR 78 Ca 0.24 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.65 1x9l s THR 78 Cb 0.36 -2.45 -0.25 0.00 -1.51 0.00 0.00 72.50 68.65 1x9l s THR 78 CO -0.06 0.00 0.31 1.41 -2.21 0.00 0.00 174.62 174.07 1x9l n HIS 79 N -0.71 1.14 -0.07 9.09 8.25 -1.26 -2.66 115.22 129.01 1x9l n HIS 79 Ca 0.04 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1x9l n HIS 79 Cb 0.63 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.59 1x9l n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1x9l n SER 80 N -3.49 0.00 0.00 0.41 2.88 -1.26 -4.90 113.62 107.25 1x9l n SER 80 Ca -0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 1x9l n SER 80 Cb 1.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 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 5.00 2.57 0.04 0.46 0.00 -1.26 -4.08 105.19 107.92 1x9l n GLY 81 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.07 -1.74 -0.02 0.00 -1.87 -3.50 103.07 95.87 1x9l h GLY 82 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.44 1x9l h GLY 82 CO 0.00 -0.03 0.37 1.06 0.00 0.00 0.00 176.54 177.94 1x9l s MET 83 N -1.66 1.69 -0.36 4.80 1.00 -1.26 -5.03 119.30 118.49 1x9l s MET 83 Ca -0.01 -1.01 0.08 0.00 0.00 0.00 0.00 55.69 54.75 1x9l s MET 83 Cb 0.00 0.52 0.44 0.00 0.00 0.00 0.00 34.83 35.80 1x9l s MET 83 CO 0.03 -0.78 1.13 0.00 0.00 0.00 0.00 175.02 175.40 1x9l n ALA 84 N -0.53 4.76 -2.93 3.03 0.00 -1.09 -0.28 120.51 123.47 1x9l n ALA 84 Ca -0.06 -3.92 -0.02 0.00 0.00 0.00 0.00 53.44 49.45 1x9l n ALA 84 Cb 0.60 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -3.55 -1.31 -0.99 0.00 0.00 -1.07 -4.81 107.32 95.60 1x9l s GLY 85 Ca 0.46 -0.03 -0.27 0.00 0.00 0.00 0.00 44.72 44.88 1x9l s GLY 85 CO -0.07 3.73 2.60 1.03 0.00 0.00 0.00 173.10 180.39 1x9l n MET 86 N 3.54 0.02 -4.01 2.90 0.00 -0.99 -4.71 117.12 113.86 1x9l n MET 86 Ca 0.14 -0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.74 1x9l n MET 86 Cb 0.57 -1.45 -0.07 0.00 0.00 0.00 0.00 33.22 32.27 1x9l n MET 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1x9l s LYS 87 N 8.65 1.17 -1.29 0.03 -2.85 -1.26 -5.00 119.74 119.20 1x9l s LYS 87 Ca 1.35 -1.26 -0.16 0.00 -1.00 0.00 0.00 55.97 54.89 1x9l s LYS 87 Cb -1.17 0.36 -0.00 0.00 -2.06 0.00 0.00 37.83 34.95 1x9l s LYS 87 CO 0.50 -0.42 2.11 -1.33 0.10 0.00 0.00 175.35 176.31 1x9l n MET 88 N -0.22 2.55 -1.99 1.78 2.81 -1.26 -4.19 117.12 116.60 1x9l n MET 88 Ca -0.06 -2.49 -0.38 0.00 -1.81 0.00 0.00 57.70 52.97 1x9l n MET 88 Cb 0.63 -3.24 0.02 0.00 -0.71 0.00 0.00 33.22 29.92 1x9l n MET 88 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x9l s VAL 89 N 3.89 2.54 0.18 2.03 0.11 -1.09 -4.92 120.40 123.14 1x9l s VAL 89 Ca 0.50 0.40 -0.08 0.00 -2.93 0.00 0.00 61.98 59.87 1x9l s VAL 89 Cb 0.13 -3.20 0.26 0.00 -1.53 0.00 0.00 36.38 32.04 1x9l s VAL 89 CO -0.02 -0.01 1.06 -2.65 -3.33 0.00 0.00 175.10 170.14 1x9l n PRO 90 N -0.86 -0.10 -3.36 1.54 -0.02 -1.26 -4.52 135.00 126.42 1x9l n PRO 90 Ca 0.09 1.06 0.03 0.00 -2.02 0.00 0.00 63.50 62.66 1x9l n PRO 90 Cb 0.47 -1.57 0.01 0.00 -0.02 0.00 0.00 33.50 32.38 1x9l n PRO 90 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1x9l n TRP 91 N -5.07 -0.09 -3.57 6.00 2.14 -1.26 -4.92 117.44 110.67 1x9l n TRP 91 Ca 0.09 -0.38 -0.41 0.00 2.07 0.00 0.00 57.50 58.88 1x9l n TRP 91 Cb 0.32 0.16 -0.09 0.00 -0.81 0.00 0.00 31.31 30.89 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 5.45 -0.11 5.67 -0.00 -1.26 -4.95 118.68 123.48 1x9l s LEU 92 Ca 0.22 -1.72 -0.30 0.00 -0.00 0.00 0.00 54.13 52.33 1x9l s LEU 92 Cb -0.00 -2.00 -0.02 0.00 -0.00 0.00 0.00 46.19 44.16 1x9l s LEU 92 CO -0.02 -0.62 1.24 -0.89 -0.00 0.00 0.00 176.35 176.06 1x9l s THR 93 N 1.39 4.25 -0.67 5.48 2.01 -1.26 -4.11 115.64 122.73 1x9l s THR 93 Ca 0.04 1.55 -0.06 0.00 0.31 0.00 0.00 61.69 63.53 1x9l s THR 93 Cb -0.25 -4.00 0.18 0.00 0.01 0.00 0.00 72.50 68.44 1x9l s THR 93 CO 0.01 -0.07 0.53 0.27 -0.69 0.00 0.00 174.62 174.66 1x9l s ILE 94 N 2.89 4.27 0.32 1.82 -4.36 -1.26 -4.68 121.20 120.19 1x9l s ILE 94 Ca 0.55 -2.77 -0.28 0.00 -0.26 0.00 0.00 60.65 57.89 1x9l s ILE 94 Cb -0.23 -3.73 -0.10 0.00 1.25 0.00 0.00 42.46 39.65 1x9l s ILE 94 CO 0.18 -0.91 1.16 -2.16 0.24 0.00 0.00 174.94 173.44 1x9l s PRO 95 N 0.07 4.46 3.34 0.37 0.04 -1.26 -3.17 135.00 138.85 1x9l s PRO 95 Ca 0.17 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1x9l s PRO 95 Cb -0.18 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1x9l s PRO 95 CO -0.05 0.02 0.00 0.00 0.04 0.00 0.00 177.00 177.01 1x9l n ALA 96 N 0.87 0.00 -0.12 8.56 0.00 -1.24 -2.79 120.51 125.79 1x9l n ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x9l n ALA 96 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 12.93 0.41 -1.55 0.00 1.85 -1.13 -3.74 116.66 125.43 1x9l n ARG 97 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1x9l n ARG 97 Cb 0.00 -1.30 0.01 0.00 -1.05 0.00 0.00 32.46 30.12 1x9l n ARG 97 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1x9l n GLY 98 N 1.66 -0.70 2.67 2.89 0.00 -1.12 -4.58 105.19 106.00 1x9l n GLY 98 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1x9l n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x9l s THR 99 N -1.32 0.59 -0.17 2.61 -1.32 -1.26 -1.08 115.64 113.70 1x9l s THR 99 Ca 0.63 -1.27 -0.02 0.00 -1.21 0.00 0.00 61.69 59.83 1x9l s THR 99 Cb -0.59 -1.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.92 1x9l s THR 99 CO 0.57 -0.71 -0.09 -0.22 -2.21 0.00 0.00 174.62 171.96 1x9l s LEU 100 N 1.69 2.83 0.45 9.08 0.20 -1.16 -4.55 118.68 127.23 1x9l s LEU 100 Ca 0.10 -0.33 -0.16 0.00 0.69 0.00 0.00 54.13 54.43 1x9l s LEU 100 Cb -0.17 -1.67 -0.08 0.00 -0.43 0.00 0.00 46.19 43.83 1x9l s LEU 100 CO -0.27 0.10 0.90 -0.89 -0.29 0.00 0.00 176.35 175.90 1x9l s THR 101 N 0.76 4.58 -0.59 3.68 2.01 -1.26 -0.91 115.64 123.91 1x9l s THR 101 Ca -0.04 1.10 0.05 0.00 0.31 0.00 0.00 61.69 63.12 1x9l s THR 101 Cb -0.15 -3.69 0.20 0.00 0.01 0.00 0.00 72.50 68.87 1x9l s THR 101 CO 0.02 -0.53 0.52 0.18 -0.69 0.00 0.00 174.62 174.12 1x9l n LEU 102 N -1.21 2.11 -4.16 4.42 4.32 -0.05 -3.88 117.00 118.54 1x9l n LEU 102 Ca 0.05 -5.03 -0.11 0.00 -0.02 0.00 0.00 56.01 50.90 1x9l n LEU 102 Cb 0.54 -0.29 -0.10 0.00 -1.62 0.00 0.00 43.42 41.94 1x9l n LEU 102 CO 0.44 1.89 -0.39 0.00 -1.22 0.00 0.00 177.39 178.11 1x9l s GLN 103 N -1.35 0.82 -1.11 3.23 0.00 0.66 -0.53 119.66 121.38 1x9l s GLN 103 Ca 0.31 -1.26 -0.08 0.00 -0.00 0.00 0.00 55.36 54.33 1x9l s GLN 103 Cb 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 33.01 32.72 1x9l s GLN 103 CO -0.13 0.00 2.33 -2.13 0.00 0.00 0.00 175.29 175.36 1x9l n ARG 104 N 0.17 2.50 0.00 9.60 0.63 -1.26 -2.05 116.66 126.25 1x9l n ARG 104 Ca -0.14 -1.70 0.00 0.00 -0.92 0.00 0.00 57.85 55.09 1x9l n ARG 104 Cb 0.60 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.92 1x9l n ARG 104 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1x9l n ASP 105 N 4.27 0.00 -3.03 6.15 2.03 -1.26 -4.87 116.55 119.83 1x9l n ASP 105 Ca 0.54 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.69 1x9l n ASP 105 Cb 0.18 0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 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 -0.93 1.23 0.95 0.27 0.00 -0.87 -4.74 105.19 101.11 1x9l n GLY 106 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1x9l n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x9l n ASP 107 N 2.11 -5.57 0.00 1.61 9.92 -1.26 -4.25 116.55 119.11 1x9l n ASP 107 Ca 0.19 0.75 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 1x9l n ASP 107 Cb 0.55 -2.47 0.00 0.00 -0.64 0.00 0.00 41.12 38.56 1x9l n ASP 107 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x9l n HIS 108 N -0.91 0.00 -3.80 1.24 1.44 -0.37 -0.24 115.22 112.57 1x9l n HIS 108 Ca 0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.35 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 -2.00 3.90 -0.65 0.61 1.01 -1.26 -0.12 120.40 121.89 1x9l s VAL 109 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 1x9l s VAL 109 Cb 0.00 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1x9l s VAL 109 CO 0.00 0.27 1.22 -0.04 0.00 0.00 0.00 175.10 176.55 1x9l s MET 110 N 1.53 3.35 -0.50 2.72 -1.94 0.14 -3.15 119.30 121.46 1x9l s MET 110 Ca 0.05 -0.02 -0.19 0.00 -1.71 0.00 0.00 55.69 53.82 1x9l s MET 110 Cb -0.16 -4.10 0.06 0.00 2.01 0.00 0.00 34.83 32.65 1x9l s MET 110 CO 0.01 -1.89 0.60 -0.48 -0.01 0.00 0.00 175.02 173.25 1x9l s LEU 111 N 5.25 5.04 0.14 -0.03 0.05 -0.75 -0.30 118.68 128.08 1x9l s LEU 111 Ca 0.38 -0.95 0.07 0.00 0.05 0.00 0.00 54.13 53.68 1x9l s LEU 111 Cb -0.08 -2.42 -0.04 0.00 -2.05 0.00 0.00 46.19 41.60 1x9l s LEU 111 CO 0.20 -0.86 -0.04 -0.32 -0.55 0.00 0.00 176.35 174.78 1x9l s MET 112 N 2.52 2.30 0.00 1.48 1.75 0.07 -2.12 119.30 125.31 1x9l s MET 112 Ca 0.14 -1.07 0.00 0.00 -1.25 0.00 0.00 55.69 53.51 1x9l s MET 112 Cb -0.20 -2.34 0.00 0.00 2.84 0.00 0.00 34.83 35.13 1x9l s MET 112 CO 0.11 0.48 0.00 0.41 -0.65 0.00 0.00 175.02 175.37 1x9l n GLY 113 N 0.22 0.83 1.66 2.11 0.00 0.34 -0.34 105.19 110.01 1x9l n GLY 113 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -2.76 0.14 0.99 -0.00 -1.24 -4.66 117.00 109.48 1x9l n LEU 114 Ca 0.00 0.23 -0.11 0.00 -0.00 0.00 0.00 56.01 56.13 1x9l n LEU 114 Cb 0.00 -1.32 -0.07 0.00 -0.00 0.00 0.00 43.42 42.03 1x9l n LEU 114 CO 0.00 -0.47 0.39 0.50 -0.00 0.00 0.00 177.39 177.81 1x9l h LYS 115 N 0.45 -0.41 0.00 1.96 3.64 -1.81 -3.43 116.57 116.98 1x9l h LYS 115 Ca -0.02 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1x9l h LYS 115 Cb 0.04 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1x9l h LYS 115 CO 0.01 -0.09 0.00 0.54 -2.27 0.00 0.00 179.45 177.64 1x9l n ARG 116 N -5.08 0.00 -0.96 1.90 1.74 -1.26 -5.04 116.66 107.97 1x9l n ARG 116 Ca -0.08 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.65 1x9l n ARG 116 Cb 0.26 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.66 1x9l n ARG 116 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1x9l n PRO 117 N 0.00 1.65 -2.88 5.56 -0.04 -1.26 -4.81 135.00 133.22 1x9l n PRO 117 Ca 0.00 -1.65 -0.43 0.00 -0.04 0.00 0.00 63.50 61.38 1x9l n PRO 117 Cb 0.00 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 30.71 1x9l n PRO 117 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1x9l s LEU 118 N 0.72 4.60 0.02 1.53 2.34 -1.26 -4.80 118.68 121.84 1x9l s LEU 118 Ca 0.49 -1.34 0.01 0.00 0.06 0.00 0.00 54.13 53.35 1x9l s LEU 118 Cb 0.12 -2.41 -0.02 0.00 -0.56 0.00 0.00 46.19 43.32 1x9l s LEU 118 CO 0.06 -1.32 -0.05 -0.54 -1.06 0.00 0.00 176.35 173.44 1x9l s LYS 119 N 3.63 0.39 -0.97 1.48 1.02 -1.26 -4.98 119.74 119.04 1x9l s LYS 119 Ca 0.26 -0.57 -0.17 0.00 0.02 0.00 0.00 55.97 55.51 1x9l s LYS 119 Cb -0.13 -0.14 -0.10 0.00 -0.52 0.00 0.00 37.83 36.94 1x9l s LYS 119 CO 0.03 0.02 2.06 0.28 -0.92 0.00 0.00 175.35 176.82 1x9l n VAL 120 N 1.85 2.36 0.00 3.17 0.31 -1.26 -0.99 118.33 123.77 1x9l n VAL 120 Ca -0.21 -1.92 0.00 0.00 -0.01 0.00 0.00 64.34 62.20 1x9l n VAL 120 Cb 0.56 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 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 4.29 -0.92 3.61 2.92 0.00 0.19 -4.89 105.19 110.40 1x9l n GLY 121 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 1x9l n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x9l s GLU 122 N 0.00 -0.48 -0.23 1.61 0.41 -0.16 -4.83 118.70 115.01 1x9l s GLU 122 Ca 0.00 0.31 -0.13 0.00 -0.41 0.00 0.00 54.97 54.74 1x9l s GLU 122 Cb 0.00 -1.65 0.07 0.00 -1.78 0.00 0.00 34.13 30.77 1x9l s GLU 122 CO 0.00 -3.30 0.57 0.99 -0.49 0.00 0.00 175.26 173.03 1x9l s THR 123 N -2.90 -0.01 -0.00 3.63 2.01 -1.26 -0.81 115.64 116.29 1x9l s THR 123 Ca 0.68 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.75 1x9l s THR 123 Cb -0.16 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1x9l s THR 123 CO 0.58 0.02 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.72 1x9l s VAL 124 N 1.54 0.88 -0.03 3.82 1.01 -0.23 -4.98 120.40 122.41 1x9l s VAL 124 Ca -0.10 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 1x9l s VAL 124 Cb -0.06 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1x9l s VAL 124 CO -0.17 0.22 1.46 0.20 0.00 0.00 0.00 175.10 176.81 1x9l s ASN 125 N -0.34 6.80 -0.08 3.32 -0.87 -1.26 -0.37 114.94 122.14 1x9l s ASN 125 Ca 0.04 2.10 -0.04 0.00 -1.57 0.00 0.00 52.86 53.39 1x9l s ASN 125 Cb -0.05 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.60 1x9l s ASN 125 CO -0.00 -0.79 0.11 -0.51 -2.57 0.00 0.00 177.10 173.34 1x9l s ILE 126 N 2.98 5.11 -0.26 0.60 2.07 0.13 -4.74 121.20 127.09 1x9l s ILE 126 Ca 0.65 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.87 1x9l s ILE 126 Cb -0.31 -3.26 0.06 0.00 0.13 0.00 0.00 42.46 39.08 1x9l s ILE 126 CO 0.26 0.52 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.81 1x9l s THR 127 N -1.08 2.20 0.77 4.00 2.01 0.11 -0.75 115.64 122.91 1x9l s THR 127 Ca 0.18 -1.62 -0.08 0.00 0.31 0.00 0.00 61.69 60.48 1x9l s THR 127 Cb -0.12 -2.29 0.10 0.00 0.01 0.00 0.00 72.50 70.20 1x9l s THR 127 CO 0.08 -0.03 1.09 -1.48 -0.69 0.00 0.00 174.62 173.59 1x9l s LEU 128 N 1.11 2.80 -0.32 4.42 0.05 0.28 -0.31 118.68 126.72 1x9l s LEU 128 Ca -0.09 0.29 0.02 0.00 0.05 0.00 0.00 54.13 54.40 1x9l s LEU 128 Cb -0.20 -2.74 0.15 0.00 -2.05 0.00 0.00 46.19 41.35 1x9l s LEU 128 CO -0.05 -1.91 0.37 -0.75 -0.55 0.00 0.00 176.35 173.46 1x9l s LYS 129 N -5.39 0.47 0.21 1.48 2.47 -1.24 -3.06 119.74 114.68 1x9l s LYS 129 Ca 0.64 -0.27 -0.22 0.00 -1.56 0.00 0.00 55.97 54.56 1x9l s LYS 129 Cb -0.08 -0.53 -0.08 0.00 -1.46 0.00 0.00 37.83 35.68 1x9l s LYS 129 CO 0.47 -1.09 0.76 0.00 0.16 0.00 0.00 175.35 175.65 1x9l s ALA 130 N 2.12 3.41 0.62 3.13 0.00 -1.25 -0.84 121.76 128.95 1x9l s ALA 130 Ca 0.12 0.25 0.34 0.00 0.00 0.00 0.00 51.96 52.68 1x9l s ALA 130 Cb -0.13 -2.89 1.95 0.00 0.00 0.00 0.00 23.12 22.04 1x9l s ALA 130 CO -0.22 0.30 2.21 1.79 0.00 0.00 0.00 175.76 179.84 1x9l h THR 131 N 2.91 0.29 0.00 0.00 1.35 -1.92 0.18 112.91 115.71 1x9l h THR 131 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1x9l h THR 131 Cb 1.20 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1x9l h THR 131 CO 0.65 0.00 0.10 -0.78 -0.25 0.00 0.00 175.52 175.24 1x9l h ASP 132 N 0.00 0.00 0.00 5.36 3.58 -1.93 -3.44 116.42 119.98 1x9l h ASP 132 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1x9l h ASP 132 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1x9l h ASP 132 CO -0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1x9l n GLY 133 N -1.20 1.98 3.95 -0.78 0.00 0.53 -5.13 105.19 104.54 1x9l n GLY 133 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.44 2.75 -0.45 1.61 0.52 -0.63 -4.95 118.95 117.37 1x9l s ARG 134 Ca 0.00 -0.42 0.07 0.00 -0.52 0.00 0.00 55.73 54.86 1x9l s ARG 134 Cb 0.00 -2.41 0.33 0.00 0.52 0.00 0.00 34.95 33.39 1x9l s ARG 134 CO 0.00 -0.64 1.10 2.41 0.02 0.00 0.00 175.30 178.19 1x9l n THR 135 N -2.40 -0.01 -3.05 0.02 -1.04 -1.25 -3.93 114.28 102.61 1x9l n THR 135 Ca 0.05 -1.73 -0.38 0.00 -2.04 0.00 0.00 64.05 59.95 1x9l n THR 135 Cb 0.59 1.35 -0.06 0.00 -1.82 0.00 0.00 70.33 70.38 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 -2.33 4.48 -0.09 -4.42 2.96 -1.17 -4.87 118.68 113.24 1x9l s LEU 136 Ca 0.23 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 1x9l s LEU 136 Cb 0.30 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 1x9l s LEU 136 CO -0.05 0.14 -0.09 0.21 -1.32 0.00 0.00 176.35 175.24 1x9l s ASN 137 N -1.35 4.45 0.09 3.68 3.04 -1.26 -0.55 114.94 123.03 1x9l s ASN 137 Ca 0.38 -0.12 0.01 0.00 0.04 0.00 0.00 52.86 53.17 1x9l s ASN 137 Cb -0.20 -1.30 -0.04 0.00 -1.54 0.00 0.00 41.25 38.17 1x9l s ASN 137 CO 0.23 0.29 -0.06 -0.69 -3.04 0.00 0.00 177.10 173.83 1x9l s VAL 138 N -0.38 0.63 -0.41 -5.21 1.01 0.08 -4.99 120.40 111.12 1x9l s VAL 138 Ca 0.05 -1.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.02 1x9l s VAL 138 Cb -0.12 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1x9l s VAL 138 CO 0.02 -0.86 0.29 0.00 0.00 0.00 0.00 175.10 174.56 1x9l s ALA 139 N -3.52 3.46 -0.27 5.51 0.00 -1.26 -0.70 121.76 124.97 1x9l s ALA 139 Ca 0.10 -1.76 -0.25 0.00 0.00 0.00 0.00 51.96 50.05 1x9l s ALA 139 Cb 0.05 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1x9l s ALA 139 CO -0.05 -1.48 0.87 0.00 0.00 0.00 0.00 175.76 175.10 1x9l s ALA 140 N 1.66 3.59 -0.18 0.00 0.00 0.50 -4.39 121.76 122.93 1x9l s ALA 140 Ca 0.04 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1x9l s ALA 140 Cb -0.19 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1x9l s ALA 140 CO 0.09 -1.12 0.37 0.99 0.00 0.00 0.00 175.76 176.09 1x9l s THR 141 N 3.03 5.24 -0.57 0.00 2.01 -0.10 -1.06 115.64 124.19 1x9l s THR 141 Ca 0.36 0.67 -0.24 0.00 0.31 0.00 0.00 61.69 62.79 1x9l s THR 141 Cb -0.14 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.71 1x9l s THR 141 CO 0.10 0.31 0.94 -0.69 -0.69 0.00 0.00 174.62 174.59 1x9l s VAL 142 N 0.95 4.38 -0.10 3.82 1.01 0.01 -0.14 120.40 130.32 1x9l s VAL 142 Ca 0.19 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1x9l s VAL 142 Cb -0.14 -4.57 0.05 0.00 0.00 0.00 0.00 36.38 31.72 1x9l s VAL 142 CO 0.07 -1.18 0.12 -0.54 0.00 0.00 0.00 175.10 173.56 1x9l s LYS 143 N 3.97 0.02 0.11 2.72 -0.14 0.81 0.56 119.74 127.79 1x9l s LYS 143 Ca 0.28 0.30 -0.22 0.00 -1.36 0.00 0.00 55.97 54.97 1x9l s LYS 143 Cb -0.13 -0.86 -0.06 0.00 -1.68 0.00 0.00 37.83 35.10 1x9l s LYS 143 CO 0.17 -0.45 1.38 0.87 -0.76 0.00 0.00 175.35 176.56 1x9l h LYS 144 N 8.40 -0.07 0.00 1.68 1.57 -1.84 -3.32 116.57 122.99 1x9l h LYS 144 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1x9l h LYS 144 Cb 1.13 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1x9l h LYS 144 CO 0.20 -0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.12 1x9l n ASN 145 N -4.58 -3.19 -4.44 0.86 3.02 -1.26 -3.59 115.26 102.09 1x9l n ASN 145 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.23 1x9l n ASN 145 Cb 0.20 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.32 1x9l n ASN 145 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1x9l n ILE 146 N -0.33 2.27 0.47 2.41 2.08 -1.26 -4.82 119.36 120.18 1x9l n ILE 146 Ca 0.00 -2.31 0.00 0.00 0.56 0.00 0.00 62.75 61.00 1x9l n ILE 146 Cb 0.00 -2.23 0.00 0.00 -0.75 0.00 0.00 39.64 36.66 1x9l n ILE 146 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1x9l n GLU 147 N 8.08 0.63 0.00 0.38 0.28 -1.24 -4.86 120.64 123.91 1x9l n GLU 147 Ca 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1x9l n GLU 147 Cb 0.45 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 32.14 1x9l n GLU 147 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x9l n GLY 148 N 0.86 1.36 0.00 -1.84 0.00 -1.26 -4.91 105.19 99.39 1x9l n GLY 148 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19