#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 -2.33 3.52 3.03 0.00 -1.26 -5.15 105.19 103.00 1x9l n GLY 2 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 1x9l n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x9l s HIS 3 N -0.38 -0.43 0.22 1.61 5.65 -1.26 -5.19 115.29 115.51 1x9l s HIS 3 Ca 0.00 0.51 -0.19 0.00 0.25 0.00 0.00 55.06 55.63 1x9l s HIS 3 Cb 0.00 0.49 0.07 0.00 -1.18 0.00 0.00 32.58 31.96 1x9l s HIS 3 CO 0.00 -0.54 0.94 -2.37 -0.65 0.00 0.00 174.74 172.12 1x9l n THR 4 N 0.22 0.00 -2.71 0.89 5.66 -1.26 -5.12 114.28 111.95 1x9l n THR 4 Ca -0.12 -0.64 -0.06 0.00 -3.05 0.00 0.00 64.05 60.18 1x9l n THR 4 Cb 0.60 0.79 0.06 0.00 -1.55 0.00 0.00 70.33 70.23 1x9l n THR 4 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1x9l n MET 5 N -0.65 0.47 -2.34 1.09 0.00 -1.26 -5.16 117.12 109.27 1x9l n MET 5 Ca -0.04 -1.31 -0.38 0.00 -0.00 0.00 0.00 57.70 55.97 1x9l n MET 5 Cb 0.56 -0.91 -0.03 0.00 0.00 0.00 0.00 33.22 32.85 1x9l n MET 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1x9l s PRO 6 N 0.51 4.15 -0.05 2.12 0.04 -1.26 -5.05 135.00 135.46 1x9l s PRO 6 Ca 0.29 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1x9l s PRO 6 Cb 0.20 -2.73 0.08 0.00 0.04 0.00 0.00 34.50 32.09 1x9l s PRO 6 CO -0.16 -0.23 0.75 0.00 0.04 0.00 0.00 177.00 177.41 1x9l s ALA 7 N -1.41 -1.79 0.19 8.56 0.00 -1.26 -5.19 121.76 120.86 1x9l s ALA 7 Ca 0.55 1.29 -0.24 0.00 0.00 0.00 0.00 51.96 53.56 1x9l s ALA 7 Cb -0.30 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.81 1x9l s ALA 7 CO 0.38 -0.41 0.87 -1.58 0.00 0.00 0.00 175.76 175.01 1x9l s HIS 8 N -1.51 -0.17 -0.37 0.00 2.46 -1.26 -5.14 115.29 109.31 1x9l s HIS 8 Ca -0.07 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.28 1x9l s HIS 8 Cb -0.00 0.66 0.27 0.00 -0.13 0.00 0.00 32.58 33.38 1x9l s HIS 8 CO 0.05 -0.96 1.17 -2.37 -2.47 0.00 0.00 174.74 170.16 1x9l n THR 9 N -0.46 0.00 -2.11 0.89 5.66 -1.26 -5.14 114.28 111.86 1x9l n THR 9 Ca -0.06 -0.87 -0.43 0.00 -3.05 0.00 0.00 64.05 59.64 1x9l n THR 9 Cb 0.60 1.19 -0.03 0.00 -1.55 0.00 0.00 70.33 70.54 1x9l n THR 9 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1x9l s PRO 10 N 0.24 4.09 0.57 1.09 0.04 -1.26 -5.00 135.00 134.77 1x9l s PRO 10 Ca 0.27 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 63.16 1x9l s PRO 10 Cb 0.22 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1x9l s PRO 10 CO -0.13 -0.94 0.96 -1.25 0.04 0.00 0.00 177.00 175.68 1x9l s PRO 11 N 4.11 3.62 -0.06 0.56 0.04 -1.26 -5.10 135.00 136.92 1x9l s PRO 11 Ca 0.70 0.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 1x9l s PRO 11 Cb -0.29 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.16 1x9l s PRO 11 CO 0.27 -0.44 0.72 0.00 0.04 0.00 0.00 177.00 177.59 1x9l s ALA 12 N -3.00 -1.79 -0.10 8.56 0.00 -1.26 -5.19 121.76 118.99 1x9l s ALA 12 Ca 0.53 1.32 -0.31 0.00 0.00 0.00 0.00 51.96 53.51 1x9l s ALA 12 Cb -0.11 -0.06 0.12 0.00 0.00 0.00 0.00 23.12 23.07 1x9l s ALA 12 CO 0.49 -0.38 1.01 1.14 0.00 0.00 0.00 175.76 178.02 1x9l s GLN 13 N -1.30 0.62 0.13 0.00 -2.07 -1.26 -5.20 119.66 110.59 1x9l s GLN 13 Ca -0.09 -0.14 -0.25 0.00 -1.82 0.00 0.00 55.36 53.06 1x9l s GLN 13 Cb -0.00 0.29 0.08 0.00 -1.09 0.00 0.00 33.01 32.28 1x9l s GLN 13 CO 0.08 -0.25 1.06 -0.08 -1.32 0.00 0.00 175.29 174.77 1x9l s THR 14 N -2.42 0.00 -0.34 3.63 -1.32 -1.26 -5.13 115.64 108.80 1x9l s THR 14 Ca 0.05 -0.54 -0.00 0.00 -1.21 0.00 0.00 61.69 59.98 1x9l s THR 14 Cb -0.01 -2.44 0.28 0.00 -1.51 0.00 0.00 72.50 68.82 1x9l s THR 14 CO -0.05 0.00 1.24 0.00 -2.21 0.00 0.00 174.62 173.59 1x9l n ALA 15 N -0.60 -3.26 -1.78 11.08 0.00 -1.26 -5.16 120.51 119.54 1x9l n ALA 15 Ca -0.05 -0.44 -0.37 0.00 0.00 0.00 0.00 53.44 52.58 1x9l n ALA 15 Cb 0.60 -3.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.01 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 0.15 4.10 -0.04 0.00 0.04 -1.26 -5.05 135.00 132.94 1x9l s PRO 16 Ca 0.25 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 1x9l s PRO 16 Cb 0.23 -2.59 0.08 0.00 0.04 0.00 0.00 34.50 32.26 1x9l s PRO 16 CO -0.12 -0.23 0.75 0.00 0.04 0.00 0.00 177.00 177.45 1x9l s ALA 17 N -1.55 -1.78 -0.07 8.56 0.00 -1.26 -5.18 121.76 120.47 1x9l s ALA 17 Ca 0.58 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1x9l s ALA 17 Cb -0.26 0.01 0.11 0.00 0.00 0.00 0.00 23.12 22.99 1x9l s ALA 17 CO 0.32 -0.44 0.95 0.00 0.00 0.00 0.00 175.76 176.59 1x9l s ALA 18 N -1.69 -1.88 0.08 0.00 0.00 -1.26 -5.20 121.76 111.81 1x9l s ALA 18 Ca -0.06 1.26 -0.26 0.00 0.00 0.00 0.00 51.96 52.90 1x9l s ALA 18 Cb -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.19 1x9l s ALA 18 CO 0.03 -0.55 0.77 -1.14 0.00 0.00 0.00 175.76 174.87 1x9l s GLN 19 N -2.37 1.05 -0.06 0.00 2.00 -1.26 -5.19 119.66 113.83 1x9l s GLN 19 Ca 0.03 -0.41 -0.32 0.00 -2.00 0.00 0.00 55.36 52.66 1x9l s GLN 19 Cb -0.01 0.47 0.13 0.00 0.80 0.00 0.00 33.01 34.41 1x9l s GLN 19 CO -0.05 -0.46 1.36 0.15 -0.50 0.00 0.00 175.29 175.79 1x9l s LYS 20 N -3.41 0.21 0.13 1.67 1.02 -1.26 -5.21 119.74 112.90 1x9l s LYS 20 Ca 0.04 -0.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.75 1x9l s LYS 20 Cb -0.01 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.43 1x9l s LYS 20 CO -0.10 -0.10 0.79 0.00 -0.92 0.00 0.00 175.35 175.03 1x9l n ALA 21 N -0.48 -2.08 -3.27 5.17 0.00 -1.26 -5.20 120.51 113.39 1x9l n ALA 21 Ca -0.09 -0.76 -0.10 0.00 0.00 0.00 0.00 53.44 52.50 1x9l n ALA 21 Cb 0.63 0.40 -0.04 0.00 0.00 0.00 0.00 19.45 20.45 1x9l n ALA 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x9l s GLY 22 N -3.10 -0.05 0.16 0.00 0.00 -1.26 -5.19 107.32 97.88 1x9l s GLY 22 Ca 0.18 -0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.47 1x9l s GLY 22 CO 0.04 -0.30 0.75 0.00 0.00 0.00 0.00 173.10 173.59 1x9l n ALA 23 N -0.34 -1.92 -0.65 3.20 0.00 -1.26 -5.18 120.51 114.37 1x9l n ALA 23 Ca -0.10 -0.80 0.09 0.00 0.00 0.00 0.00 53.44 52.64 1x9l n ALA 23 Cb 0.62 0.48 -0.02 0.00 0.00 0.00 0.00 19.45 20.53 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 -0.52 -1.33 -3.83 0.00 6.02 -1.26 -5.09 117.38 111.36 1x9l n GLN 24 Ca -0.02 0.90 -0.07 0.00 -0.01 0.00 0.00 57.00 57.80 1x9l n GLN 24 Cb 0.44 -1.62 0.02 0.00 1.02 0.00 0.00 30.24 30.10 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x9l s ALA 25 N -1.73 -0.98 -0.14 -1.58 0.00 -1.26 -5.19 121.76 110.88 1x9l s ALA 25 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 1x9l s ALA 25 Cb 0.00 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1x9l s ALA 25 CO 0.00 -1.01 0.33 -1.17 0.00 0.00 0.00 175.76 173.91 1x9l s LEU 26 N -3.14 0.28 0.60 0.00 0.20 -1.26 -5.15 118.68 110.21 1x9l s LEU 26 Ca 0.17 0.71 -0.18 0.00 0.69 0.00 0.00 54.13 55.51 1x9l s LEU 26 Cb -0.05 1.07 -0.03 0.00 -0.43 0.00 0.00 46.19 46.76 1x9l s LEU 26 CO 0.10 -0.17 1.20 -2.16 -0.29 0.00 0.00 176.35 175.03 1x9l s PRO 27 N 1.08 2.91 -0.38 0.98 0.04 -1.26 -4.52 135.00 133.86 1x9l s PRO 27 Ca -0.07 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 1x9l s PRO 27 Cb -0.08 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 1x9l s PRO 27 CO -0.08 -1.25 3.28 1.33 0.04 0.00 0.00 177.00 180.32 1x9l n VAL 28 N -1.70 3.36 -2.74 -0.36 0.24 -1.26 -4.20 118.33 111.67 1x9l n VAL 28 Ca 0.13 -2.13 -0.09 0.00 -2.04 0.00 0.00 64.34 60.22 1x9l n VAL 28 Cb 0.50 -1.98 0.09 0.00 -1.47 0.00 0.00 33.84 30.98 1x9l n VAL 28 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x9l n THR 29 N 2.21 0.04 -2.56 3.34 -2.24 -1.23 -4.20 114.28 109.64 1x9l n THR 29 Ca 0.50 -1.75 -0.39 0.00 -2.27 0.00 0.00 64.05 60.14 1x9l n THR 29 Cb 0.71 1.14 0.02 0.00 -2.10 0.00 0.00 70.33 70.10 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 -0.08 5.35 -2.92 2.28 3.14 -1.26 -4.97 118.33 119.87 1x9l n VAL 30 Ca 0.03 -5.67 -0.21 0.00 -2.96 0.00 0.00 64.34 55.53 1x9l n VAL 30 Cb 0.77 -1.48 0.08 0.00 -1.06 0.00 0.00 33.84 32.15 1x9l n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x9l n GLN 31 N -0.16 0.39 0.00 1.45 0.00 -1.26 -4.80 117.38 113.01 1x9l n GLN 31 Ca 0.46 -3.08 0.00 0.00 0.00 0.00 0.00 57.00 54.38 1x9l n GLN 31 Cb 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 30.24 30.15 1x9l n GLN 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x9l n GLY 32 N -2.41 5.37 3.64 2.61 0.00 -1.26 -5.10 105.19 108.04 1x9l n GLY 32 Ca 0.17 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 -1.85 -0.04 4.61 0.00 -1.26 -4.95 121.76 116.26 1x9l s ALA 33 Ca 0.00 2.33 0.04 0.00 0.00 0.00 0.00 51.96 54.33 1x9l s ALA 33 Cb 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 1x9l s ALA 33 CO 0.00 -0.37 -0.16 0.95 0.00 0.00 0.00 175.76 176.18 1x9l s THR 34 N 1.34 1.35 -0.05 0.00 -4.23 -1.24 -1.62 115.64 111.19 1x9l s THR 34 Ca -0.08 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.82 1x9l s THR 34 Cb -0.05 -1.17 -0.01 0.00 1.34 0.00 0.00 72.50 72.62 1x9l s THR 34 CO -0.15 0.39 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.40 1x9l s VAL 35 N 0.07 1.88 0.00 2.29 1.01 0.37 -0.19 120.40 125.83 1x9l s VAL 35 Ca -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1x9l s VAL 35 Cb -0.11 -1.59 -0.12 0.00 0.00 0.00 0.00 36.38 34.56 1x9l s VAL 35 CO 0.02 0.53 2.61 0.00 0.00 0.00 0.00 175.10 178.25 1x9l n ALA 36 N 3.01 4.88 0.00 5.51 0.00 -0.92 -0.31 120.51 132.68 1x9l n ALA 36 Ca -0.18 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1x9l n ALA 36 Cb 0.52 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1x9l n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n ALA 37 N 1.99 0.00 -3.51 0.00 0.00 -1.25 -2.79 120.51 114.94 1x9l n ALA 37 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 1x9l n ALA 37 Cb 0.65 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.97 1x9l n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x9l s VAL 38 N 0.00 3.28 0.99 0.00 1.01 -1.26 -4.69 120.40 119.73 1x9l s VAL 38 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1x9l s VAL 38 Cb 0.00 -2.72 0.18 0.00 0.00 0.00 0.00 36.38 33.84 1x9l s VAL 38 CO 0.00 0.09 1.09 -2.84 0.00 0.00 0.00 175.10 173.44 1x9l s PRO 39 N 1.37 0.49 -1.19 2.72 0.02 -1.12 -4.87 135.00 132.43 1x9l s PRO 39 Ca -0.00 1.16 -0.10 0.00 0.02 0.00 0.00 61.00 62.08 1x9l s PRO 39 Cb -0.17 -1.69 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 1x9l s PRO 39 CO -0.01 -2.87 2.37 -0.35 -0.33 0.00 0.00 177.00 175.81 1x9l n PRO 40 N -4.36 2.61 -2.72 5.54 -0.04 -1.26 -4.16 135.00 130.62 1x9l n PRO 40 Ca 0.08 -1.87 -0.08 0.00 -0.04 0.00 0.00 63.50 61.59 1x9l n PRO 40 Cb 0.53 -2.72 0.09 0.00 -0.04 0.00 0.00 33.50 31.36 1x9l n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x9l n SER 41 N 4.64 -2.23 -0.36 3.54 3.41 -1.26 -5.15 113.62 116.21 1x9l n SER 41 Ca 0.57 -3.26 0.04 0.00 -0.26 0.00 0.00 58.87 55.97 1x9l n SER 41 Cb 0.23 1.74 -0.02 0.00 -0.26 0.00 0.00 64.21 65.89 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1x9l n ILE 42 N 0.67 -0.22 0.34 -1.33 5.41 -1.26 -4.38 119.36 118.59 1x9l n ILE 42 Ca 0.05 0.23 0.00 0.00 1.00 0.00 0.00 62.75 64.03 1x9l n ILE 42 Cb 0.70 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 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 -2.62 0.34 -3.86 0.38 1.85 -1.26 -4.65 116.66 106.84 1x9l n ARG 43 Ca -0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.60 1x9l n ARG 43 Cb 0.17 -1.25 -0.02 0.00 -1.05 0.00 0.00 32.46 30.31 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 0.20 6.33 0.15 2.89 1.47 -1.26 -0.52 116.67 125.92 1x9l s ASP 44 Ca 0.00 0.17 -0.11 0.00 1.18 0.00 0.00 52.55 53.80 1x9l s ASP 44 Cb 0.00 -1.91 0.04 0.00 -0.34 0.00 0.00 42.92 40.71 1x9l s ASP 44 CO 0.00 -0.07 0.53 1.07 0.68 0.00 0.00 175.17 177.38 1x9l n THR 45 N -1.21 0.00 -3.92 2.11 5.66 -1.26 -4.35 114.28 111.31 1x9l n THR 45 Ca -0.08 -0.40 -0.09 0.00 -3.05 0.00 0.00 64.05 60.43 1x9l n THR 45 Cb 0.56 0.48 -0.04 0.00 -1.55 0.00 0.00 70.33 69.78 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 -1.59 -0.62 0.59 1.79 0.00 -1.26 -2.93 121.76 117.75 1x9l s ALA 46 Ca 0.11 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 1x9l s ALA 46 Cb -0.02 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 1x9l s ALA 46 CO 0.04 -0.89 0.96 0.00 0.00 0.00 0.00 175.76 175.88 1x9l s ALA 47 N -3.97 3.17 -0.26 0.00 0.00 -1.10 -2.16 121.76 117.43 1x9l s ALA 47 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1x9l s ALA 47 Cb -0.02 -2.90 0.08 0.00 0.00 0.00 0.00 23.12 20.28 1x9l s ALA 47 CO 0.06 -0.68 0.05 0.71 0.00 0.00 0.00 175.76 175.91 1x9l s TYR 48 N -3.08 1.67 0.04 0.00 1.51 0.73 -4.18 117.35 114.05 1x9l s TYR 48 Ca 0.53 -1.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.07 1x9l s TYR 48 Cb -0.11 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1x9l s TYR 48 CO 0.50 -0.78 0.10 -0.12 -1.11 0.00 0.00 175.55 174.14 1x9l n MET 49 N 4.86 0.12 -3.69 -0.62 1.56 -0.21 -3.72 117.12 115.43 1x9l n MET 49 Ca -0.06 -0.24 -0.10 0.00 -0.27 0.00 0.00 57.70 57.03 1x9l n MET 49 Cb 0.44 0.31 -0.10 0.00 2.15 0.00 0.00 33.22 36.01 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 -2.81 -0.05 0.06 1.12 2.01 -1.26 -0.49 115.64 114.21 1x9l s THR 50 Ca 0.02 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 1x9l s THR 50 Cb -0.01 -0.65 -0.06 0.00 0.01 0.00 0.00 72.50 71.80 1x9l s THR 50 CO 0.01 0.04 0.75 -0.76 -0.69 0.00 0.00 174.62 173.97 1x9l s LEU 51 N 1.48 4.47 -0.29 4.42 2.01 0.05 -4.25 118.68 126.56 1x9l s LEU 51 Ca -0.09 1.45 0.02 0.00 0.01 0.00 0.00 54.13 55.51 1x9l s LEU 51 Cb -0.08 -3.21 0.08 0.00 0.01 0.00 0.00 46.19 43.00 1x9l s LEU 51 CO -0.13 0.05 0.01 -0.89 1.01 0.00 0.00 176.35 176.40 1x9l s THR 52 N -0.24 1.78 -0.38 5.49 2.01 -1.26 -1.71 115.64 121.33 1x9l s THR 52 Ca 0.37 -1.74 -0.29 0.00 0.31 0.00 0.00 61.69 60.34 1x9l s THR 52 Cb -0.21 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.14 1x9l s THR 52 CO 0.23 -0.39 1.20 0.20 -0.69 0.00 0.00 174.62 175.17 1x9l s ASN 53 N 1.21 6.69 -0.44 3.53 0.01 -0.99 -3.55 114.94 121.40 1x9l s ASN 53 Ca 0.03 0.88 0.08 0.00 -0.71 0.00 0.00 52.86 53.14 1x9l s ASN 53 Cb -0.19 -2.54 0.27 0.00 0.41 0.00 0.00 41.25 39.19 1x9l s ASN 53 CO -0.10 -1.13 0.61 1.17 -1.51 0.00 0.00 177.10 176.13 1x9l n LYS 54 N 7.46 1.19 0.00 -0.60 4.81 -1.26 -4.80 118.16 124.97 1x9l n LYS 54 Ca 0.13 -3.58 0.00 0.00 -0.87 0.00 0.00 58.31 53.99 1x9l n LYS 54 Cb 0.48 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.01 1x9l n LYS 54 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1x9l n SER 55 N 1.10 0.00 -2.01 3.14 2.88 -1.26 -4.28 113.62 113.19 1x9l n SER 55 Ca 0.24 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.75 1x9l n SER 55 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.31 -4.16 -3.88 -3.46 8.00 -1.26 -5.02 116.55 106.45 1x9l n ASP 56 Ca 0.00 0.16 -0.11 0.00 0.71 0.00 0.00 54.79 55.55 1x9l n ASP 56 Cb 0.00 -2.60 -0.11 0.00 -0.02 0.00 0.00 41.12 38.39 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 -1.85 0.34 -0.41 -1.24 1.11 -1.26 -4.79 119.66 111.55 1x9l s GLN 57 Ca 0.07 -0.28 -0.24 0.00 0.01 0.00 0.00 55.36 54.92 1x9l s GLN 57 Cb -0.02 0.14 0.02 0.00 -1.01 0.00 0.00 33.01 32.14 1x9l s GLN 57 CO 0.28 -0.07 0.85 -1.25 0.01 0.00 0.00 175.29 175.11 1x9l s PRO 58 N -0.97 3.64 -0.34 2.91 0.04 -1.26 -3.25 135.00 135.77 1x9l s PRO 58 Ca -0.11 0.23 0.02 0.00 0.04 0.00 0.00 61.00 61.19 1x9l s PRO 58 Cb -0.06 -3.87 0.10 0.00 0.04 0.00 0.00 34.50 30.71 1x9l s PRO 58 CO 0.01 -1.03 0.07 0.42 0.04 0.00 0.00 177.00 176.50 1x9l s ILE 59 N 3.40 1.83 -0.62 0.56 1.09 -0.95 -4.96 121.20 121.56 1x9l s ILE 59 Ca 0.34 -2.07 -0.26 0.00 -1.10 0.00 0.00 60.65 57.56 1x9l s ILE 59 Cb -0.12 -2.36 0.04 0.00 -1.06 0.00 0.00 42.46 38.96 1x9l s ILE 59 CO 0.21 -0.63 1.12 -1.59 -0.10 0.00 0.00 174.94 173.95 1x9l s LYS 60 N 1.10 3.34 -0.13 2.79 -2.85 -1.26 -4.21 119.74 118.52 1x9l s LYS 60 Ca 0.11 -0.13 -0.27 0.00 -1.00 0.00 0.00 55.97 54.68 1x9l s LYS 60 Cb -0.19 -4.09 -0.02 0.00 -2.06 0.00 0.00 37.83 31.48 1x9l s LYS 60 CO -0.13 -1.75 0.90 -0.48 0.10 0.00 0.00 175.35 173.98 1x9l s LEU 61 N 4.75 4.22 -0.36 2.77 -0.00 -1.25 -1.85 118.68 126.96 1x9l s LEU 61 Ca 0.35 1.33 0.14 0.00 -0.00 0.00 0.00 54.13 55.95 1x9l s LEU 61 Cb -0.10 -3.36 0.40 0.00 -0.00 0.00 0.00 46.19 43.13 1x9l s LEU 61 CO 0.20 -0.40 0.92 0.55 -0.00 0.00 0.00 176.35 177.62 1x9l n VAL 62 N 4.57 0.36 -3.58 1.48 3.14 0.25 -4.41 118.33 120.14 1x9l n VAL 62 Ca 0.06 -3.36 -0.15 0.00 -2.96 0.00 0.00 64.34 57.92 1x9l n VAL 62 Cb 0.49 0.41 -0.07 0.00 -1.06 0.00 0.00 33.84 33.62 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 -2.51 -0.53 -0.46 7.55 0.00 -0.90 -4.58 107.32 105.89 1x9l s GLY 63 Ca 0.31 1.76 0.07 0.00 0.00 0.00 0.00 44.72 46.86 1x9l s GLY 63 CO -0.03 1.40 0.90 0.00 0.00 0.00 0.00 173.10 175.37 1x9l n ALA 64 N 1.86 -0.59 -1.94 3.20 0.00 -1.25 -3.71 120.51 118.08 1x9l n ALA 64 Ca -0.16 -1.77 -0.34 0.00 0.00 0.00 0.00 53.44 51.17 1x9l n ALA 64 Cb 0.56 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 3.19 -0.16 0.00 0.00 0.68 -4.81 121.76 120.83 1x9l s ALA 65 Ca 0.30 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 1x9l s ALA 65 Cb 0.25 -3.00 0.13 0.00 0.00 0.00 0.00 23.12 20.50 1x9l s ALA 65 CO -0.17 0.22 1.04 -0.08 0.00 0.00 0.00 175.76 176.77 1x9l s THR 66 N -1.98 0.00 -1.86 0.00 -1.32 -1.26 -0.32 115.64 108.90 1x9l s THR 66 Ca 0.56 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.33 1x9l s THR 66 Cb -0.11 -1.00 0.75 0.00 -1.51 0.00 0.00 72.50 70.62 1x9l s THR 66 CO 0.17 0.00 2.05 -0.81 -2.21 0.00 0.00 174.62 173.81 1x9l n PRO 67 N 0.54 0.78 -0.09 7.08 -0.04 -1.26 -4.34 135.00 137.68 1x9l n PRO 67 Ca -0.08 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.27 1x9l n PRO 67 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.07 1.76 -4.54 1.53 7.94 -1.26 -4.22 117.00 117.15 1x9l n LEU 68 Ca 0.20 -0.06 -0.36 0.00 -1.11 0.00 0.00 56.01 54.68 1x9l n LEU 68 Cb 0.13 -0.25 -0.11 0.00 0.53 0.00 0.00 43.42 43.72 1x9l n LEU 68 CO 0.18 0.65 -0.26 0.00 -1.11 0.00 0.00 177.39 176.85 1x9l s ALA 69 N -2.39 3.30 0.28 1.96 0.00 -1.26 -1.28 121.76 122.38 1x9l s ALA 69 Ca -0.19 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 50.92 1x9l s ALA 69 Cb 0.06 -2.05 0.44 0.00 0.00 0.00 0.00 23.12 21.56 1x9l s ALA 69 CO 0.53 -0.21 1.66 1.15 0.00 0.00 0.00 175.76 178.89 1x9l h THR 70 N 5.24 1.38 -2.05 0.00 2.02 -1.50 -3.39 112.91 114.62 1x9l h THR 70 Ca -0.37 -1.94 -0.56 0.00 0.77 0.00 0.00 66.41 64.31 1x9l h THR 70 Cb 1.18 2.05 -0.40 0.00 -1.74 0.00 0.00 68.15 69.24 1x9l h THR 70 CO 0.62 0.55 -1.00 -1.20 0.37 0.00 0.00 175.52 174.86 1x9l n SER 71 N -3.84 1.11 -4.63 4.18 7.64 0.57 -4.98 113.62 113.67 1x9l n SER 71 Ca -0.01 -2.91 -0.43 0.00 1.01 0.00 0.00 58.87 56.53 1x9l n SER 71 Cb 0.57 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1x9l n SER 71 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x9l s PRO 72 N -1.67 3.97 0.00 1.43 0.04 -1.26 -2.84 135.00 134.67 1x9l s PRO 72 Ca 0.37 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1x9l s PRO 72 Cb 0.19 -3.85 -0.00 0.00 0.04 0.00 0.00 34.50 30.88 1x9l s PRO 72 CO -0.09 -1.05 -0.01 -1.64 0.04 0.00 0.00 177.00 174.25 1x9l s MET 73 N 4.04 0.08 0.29 4.56 -1.94 -0.62 -4.96 119.30 120.76 1x9l s MET 73 Ca 0.55 -0.05 -0.21 0.00 -1.71 0.00 0.00 55.69 54.27 1x9l s MET 73 Cb -0.17 -0.06 -0.09 0.00 2.01 0.00 0.00 34.83 36.52 1x9l s MET 73 CO 0.21 0.02 0.81 -0.51 -0.01 0.00 0.00 175.02 175.54 1x9l s LEU 74 N -0.08 4.26 0.21 -0.03 1.43 -1.26 -0.10 118.68 123.11 1x9l s LEU 74 Ca -0.00 1.54 -0.06 0.00 -1.03 0.00 0.00 54.13 54.58 1x9l s LEU 74 Cb -0.01 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 1x9l s LEU 74 CO -0.00 -0.07 0.26 -0.32 0.23 0.00 0.00 176.35 176.45 1x9l s MET 75 N -2.27 1.30 0.06 1.70 1.75 0.96 -3.03 119.30 119.78 1x9l s MET 75 Ca 0.49 -1.45 -0.08 0.00 -1.25 0.00 0.00 55.69 53.39 1x9l s MET 75 Cb -0.15 0.35 -0.00 0.00 2.84 0.00 0.00 34.83 37.86 1x9l s MET 75 CO 0.20 -0.47 0.16 -0.08 -0.65 0.00 0.00 175.02 174.18 1x9l s THR 76 N -4.09 0.14 -0.44 10.11 -1.32 -1.20 -0.44 115.64 118.39 1x9l s THR 76 Ca 0.31 -1.13 0.07 0.00 -1.21 0.00 0.00 61.69 59.73 1x9l s THR 76 Cb 0.04 -1.14 0.32 0.00 -1.51 0.00 0.00 72.50 70.21 1x9l s THR 76 CO 0.09 -0.62 1.01 0.41 -2.21 0.00 0.00 174.62 173.30 1x9l n THR 77 N 0.34 -0.05 -3.69 5.08 -1.04 -0.89 -1.21 114.28 112.82 1x9l n THR 77 Ca -0.17 -2.17 -0.13 0.00 -2.04 0.00 0.00 64.05 59.54 1x9l n THR 77 Cb 0.60 1.06 -0.09 0.00 -1.82 0.00 0.00 70.33 70.09 1x9l n THR 77 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1x9l s THR 78 N -0.26 -0.00 0.03 12.58 -1.32 0.25 -3.24 115.64 123.67 1x9l s THR 78 Ca 0.27 0.01 -0.14 0.00 -1.21 0.00 0.00 61.69 60.62 1x9l s THR 78 Cb 0.29 -0.76 -0.34 0.00 -1.51 0.00 0.00 72.50 70.18 1x9l s THR 78 CO -0.08 0.00 0.99 0.45 -2.21 0.00 0.00 174.62 173.78 1x9l h HIS 79 N 5.52 0.90 -0.43 9.09 3.86 -1.92 -1.98 115.15 130.19 1x9l h HIS 79 Ca -0.29 -0.65 -0.02 0.00 -1.16 0.00 0.00 60.37 58.25 1x9l h HIS 79 Cb 1.18 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 1x9l h HIS 79 CO 0.36 1.54 0.21 0.77 0.86 0.00 0.00 177.93 181.67 1x9l h SER 80 N 0.13 0.56 0.00 2.45 0.02 -1.96 -3.44 113.55 111.32 1x9l h SER 80 Ca -0.25 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1x9l h SER 80 Cb 2.14 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1x9l h SER 80 CO 0.26 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 1x9l n GLY 81 N -0.89 0.66 0.00 -3.77 0.00 -1.26 -5.03 105.19 94.91 1x9l n GLY 81 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 5.00 -2.31 3.50 -0.02 0.00 -1.26 -4.97 105.19 105.13 1x9l n GLY 82 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1x9l n GLY 82 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x9l s MET 83 N -1.76 1.08 -0.74 1.61 0.00 -0.76 -4.94 119.30 113.80 1x9l s MET 83 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 55.69 55.21 1x9l s MET 83 Cb 0.00 0.48 0.01 0.00 0.00 0.00 0.00 34.83 35.33 1x9l s MET 83 CO 0.00 -0.48 2.81 0.00 0.00 0.00 0.00 175.02 177.35 1x9l n ALA 84 N -0.32 6.65 -3.30 4.11 0.00 -1.14 -0.59 120.51 125.92 1x9l n ALA 84 Ca -0.12 -3.21 -0.25 0.00 0.00 0.00 0.00 53.44 49.86 1x9l n ALA 84 Cb 0.63 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 17.54 1x9l n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x9l n GLY 85 N 1.61 3.39 2.51 0.00 0.00 -0.98 -4.87 105.19 106.85 1x9l n GLY 85 Ca 0.55 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1x9l n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x9l n MET 86 N 1.39 3.26 -4.28 1.61 1.56 -0.35 -3.23 117.12 117.07 1x9l n MET 86 Ca 0.24 -2.33 -0.15 0.00 -0.27 0.00 0.00 57.70 55.19 1x9l n MET 86 Cb 0.49 -2.99 -0.10 0.00 2.15 0.00 0.00 33.22 32.76 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 2.69 1.36 -1.40 2.12 -2.85 -1.26 -4.97 119.74 115.43 1x9l s LYS 87 Ca 0.59 -1.73 -0.15 0.00 -1.00 0.00 0.00 55.97 53.68 1x9l s LYS 87 Cb 0.16 -0.10 0.06 0.00 -2.06 0.00 0.00 37.83 35.89 1x9l s LYS 87 CO -0.07 -0.33 2.06 -1.33 0.10 0.00 0.00 175.35 175.78 1x9l n MET 88 N -0.42 3.00 -1.40 1.78 2.81 -1.26 -4.40 117.12 117.23 1x9l n MET 88 Ca 0.01 -2.86 -0.31 0.00 -1.81 0.00 0.00 57.70 52.72 1x9l n MET 88 Cb 0.66 -3.31 0.08 0.00 -0.71 0.00 0.00 33.22 29.94 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 3.23 3.35 0.20 2.03 -7.23 -1.17 -4.97 120.40 115.85 1x9l s VAL 89 Ca 0.48 0.48 -0.19 0.00 -1.81 0.00 0.00 61.98 60.95 1x9l s VAL 89 Cb 0.11 -2.99 0.18 0.00 0.56 0.00 0.00 36.38 34.24 1x9l s VAL 89 CO -0.04 -0.53 1.58 1.55 -0.31 0.00 0.00 175.10 177.35 1x9l h PRO 90 N -0.83 -0.10 0.00 4.82 0.13 -1.92 -3.39 132.00 130.70 1x9l h PRO 90 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x9l h PRO 90 Cb 1.23 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1x9l h PRO 90 CO 0.52 -0.07 0.00 -2.67 -0.23 0.00 0.00 178.00 175.56 1x9l n TRP 91 N -5.45 0.00 -4.68 1.56 -0.00 -1.26 -4.73 117.44 102.87 1x9l n TRP 91 Ca 0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.34 1x9l n TRP 91 Cb 0.37 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.53 1x9l n TRP 91 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1x9l s LEU 92 N 0.00 2.02 -0.65 5.67 2.01 -1.26 -4.94 118.68 121.53 1x9l s LEU 92 Ca 0.00 -0.26 -0.22 0.00 0.01 0.00 0.00 54.13 53.65 1x9l s LEU 92 Cb 0.00 -0.75 0.07 0.00 0.01 0.00 0.00 46.19 45.52 1x9l s LEU 92 CO 0.00 0.18 0.95 -0.89 1.01 0.00 0.00 176.35 177.60 1x9l s THR 93 N -0.33 4.35 -0.17 5.49 2.01 -1.26 -3.86 115.64 121.87 1x9l s THR 93 Ca 0.05 -0.38 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 1x9l s THR 93 Cb -0.06 -4.67 -0.01 0.00 0.01 0.00 0.00 72.50 67.77 1x9l s THR 93 CO -0.01 -1.43 0.92 0.27 -0.69 0.00 0.00 174.62 173.68 1x9l s ILE 94 N 3.99 4.81 0.21 1.82 -5.25 -1.26 -4.97 121.20 120.55 1x9l s ILE 94 Ca 0.22 1.82 -0.03 0.00 -0.99 0.00 0.00 60.65 61.68 1x9l s ILE 94 Cb -0.17 -4.22 0.05 0.00 2.95 0.00 0.00 42.46 41.06 1x9l s ILE 94 CO 0.10 -0.03 0.28 -0.81 -1.79 0.00 0.00 174.94 172.69 1x9l n PRO 95 N 5.45 -0.05 -1.52 0.37 -0.04 -1.26 -2.23 135.00 135.73 1x9l n PRO 95 Ca 0.07 -0.52 -0.38 0.00 -0.04 0.00 0.00 63.50 62.62 1x9l n PRO 95 Cb 0.48 -0.26 0.04 0.00 -0.04 0.00 0.00 33.50 33.72 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 -3.12 -0.71 -0.54 0.55 0.00 -1.20 -0.50 120.51 114.98 1x9l n ALA 96 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1x9l n ALA 96 Cb 0.13 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 -0.27 -1.52 -1.78 0.00 3.00 -1.26 -4.88 116.66 109.95 1x9l n ARG 97 Ca 0.12 0.23 -0.21 0.00 -0.01 0.00 0.00 57.85 57.99 1x9l n ARG 97 Cb 0.46 -3.81 -0.06 0.00 0.00 0.00 0.00 32.46 29.05 1x9l n ARG 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1x9l s GLY 98 N -1.22 -0.36 -0.70 -0.13 0.00 0.34 -4.75 107.32 100.50 1x9l s GLY 98 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.70 1x9l s GLY 98 CO 0.00 3.89 1.02 2.41 0.00 0.00 0.00 173.10 180.42 1x9l n THR 99 N 8.33 3.36 -3.06 0.90 -1.04 -1.26 -2.34 114.28 119.18 1x9l n THR 99 Ca 0.43 -5.53 -0.30 0.00 -2.04 0.00 0.00 64.05 56.61 1x9l n THR 99 Cb 0.45 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 1x9l n THR 99 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x9l s LEU 100 N -3.13 3.93 -0.27 -4.42 1.02 -0.69 -4.89 118.68 110.22 1x9l s LEU 100 Ca 0.43 0.96 0.02 0.00 0.02 0.00 0.00 54.13 55.55 1x9l s LEU 100 Cb 0.20 -3.81 0.06 0.00 0.02 0.00 0.00 46.19 42.66 1x9l s LEU 100 CO -0.07 -0.31 -0.08 0.42 0.02 0.00 0.00 176.35 176.34 1x9l s THR 101 N -2.25 2.40 -0.63 5.49 -4.23 -1.26 -0.77 115.64 114.39 1x9l s THR 101 Ca 0.48 -1.58 -0.25 0.00 -1.18 0.00 0.00 61.69 59.15 1x9l s THR 101 Cb -0.10 -2.41 0.04 0.00 1.34 0.00 0.00 72.50 71.36 1x9l s THR 101 CO 0.31 -0.06 1.09 -0.22 -0.54 0.00 0.00 174.62 175.19 1x9l s LEU 102 N 1.14 3.77 0.26 4.79 0.20 0.36 -3.84 118.68 125.34 1x9l s LEU 102 Ca -0.07 -0.42 -0.13 0.00 0.69 0.00 0.00 54.13 54.20 1x9l s LEU 102 Cb -0.20 -2.74 -0.00 0.00 -0.43 0.00 0.00 46.19 42.82 1x9l s LEU 102 CO -0.04 -1.50 0.49 0.00 -0.29 0.00 0.00 176.35 175.01 1x9l s GLN 103 N 4.68 1.59 0.25 1.98 -2.07 -0.06 -1.04 119.66 124.99 1x9l s GLN 103 Ca 0.32 -1.27 -0.00 0.00 -1.82 0.00 0.00 55.36 52.59 1x9l s GLN 103 Cb -0.11 0.48 0.57 0.00 -1.09 0.00 0.00 33.01 32.86 1x9l s GLN 103 CO 0.17 -0.67 1.29 -2.13 -1.32 0.00 0.00 175.29 172.64 1x9l n ARG 104 N -0.40 -0.07 -3.74 9.60 0.00 -1.26 -2.83 116.66 117.96 1x9l n ARG 104 Ca -0.02 1.25 -0.30 0.00 -0.00 0.00 0.00 57.85 58.79 1x9l n ARG 104 Cb 0.62 -1.96 -0.14 0.00 0.00 0.00 0.00 32.46 30.98 1x9l n ARG 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x9l s ASP 105 N -5.05 3.90 0.00 6.15 1.11 -1.26 -4.98 116.67 116.54 1x9l s ASP 105 Ca -0.11 -2.16 0.00 0.00 0.18 0.00 0.00 52.55 50.46 1x9l s ASP 105 Cb 0.24 -1.01 0.00 0.00 1.07 0.00 0.00 42.92 43.22 1x9l s ASP 105 CO 0.65 -0.34 0.00 0.61 1.18 0.00 0.00 175.17 177.26 1x9l n GLY 106 N 4.17 3.13 3.34 0.21 0.00 -1.13 -4.67 105.19 110.23 1x9l n GLY 106 Ca 0.04 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -1.07 -4.55 1.61 2.03 -1.25 -0.88 116.55 112.43 1x9l n ASP 107 Ca 0.00 -0.28 -0.24 0.00 0.52 0.00 0.00 54.79 54.79 1x9l n ASP 107 Cb 0.00 -0.39 -0.09 0.00 -0.72 0.00 0.00 41.12 39.93 1x9l n ASP 107 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1x9l s HIS 108 N -3.49 2.49 -0.33 -0.67 -3.43 0.41 -3.99 115.29 106.27 1x9l s HIS 108 Ca 0.06 -0.28 -0.11 0.00 -0.80 0.00 0.00 55.06 53.94 1x9l s HIS 108 Cb -0.04 -1.10 -0.00 0.00 -1.43 0.00 0.00 32.58 30.01 1x9l s HIS 108 CO 0.23 0.66 0.19 0.08 -2.00 0.00 0.00 174.74 173.90 1x9l s VAL 109 N -2.36 4.84 -0.81 -5.38 1.01 -1.26 -0.02 120.40 116.42 1x9l s VAL 109 Ca 0.30 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 1x9l s VAL 109 Cb -0.06 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.85 1x9l s VAL 109 CO 0.17 -0.02 1.26 -0.04 0.00 0.00 0.00 175.10 176.47 1x9l s MET 110 N 1.64 3.30 -1.51 2.72 -1.94 0.86 -2.73 119.30 121.65 1x9l s MET 110 Ca 0.05 -0.65 -0.09 0.00 -1.71 0.00 0.00 55.69 53.28 1x9l s MET 110 Cb -0.18 -4.52 -0.08 0.00 2.01 0.00 0.00 34.83 32.06 1x9l s MET 110 CO 0.08 -2.08 2.95 1.28 -0.01 0.00 0.00 175.02 177.23 1x9l n LEU 111 N 8.80 8.52 -4.88 -0.03 4.77 -1.15 -1.58 117.00 131.45 1x9l n LEU 111 Ca 0.10 -4.35 -0.30 0.00 -0.03 0.00 0.00 56.01 51.43 1x9l n LEU 111 Cb 0.49 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.04 1x9l n LEU 111 CO 0.67 2.06 0.59 -0.32 -1.33 0.00 0.00 177.39 179.06 1x9l s MET 112 N 1.78 3.66 0.00 3.23 1.75 -1.13 -4.43 119.30 124.16 1x9l s MET 112 Ca 0.68 0.58 0.00 0.00 -1.25 0.00 0.00 55.69 55.71 1x9l s MET 112 Cb 0.19 -2.22 0.00 0.00 2.84 0.00 0.00 34.83 35.64 1x9l s MET 112 CO -0.06 -0.34 0.00 0.41 -0.65 0.00 0.00 175.02 174.38 1x9l n GLY 113 N -2.22 1.21 3.60 2.11 0.00 0.32 -0.31 105.19 109.89 1x9l n GLY 113 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.22 0.09 0.99 7.94 -1.24 -4.44 117.00 117.12 1x9l n LEU 114 Ca 0.00 -0.75 -0.19 0.00 -1.11 0.00 0.00 56.01 53.96 1x9l n LEU 114 Cb 0.00 -2.16 -0.11 0.00 0.53 0.00 0.00 43.42 41.68 1x9l n LEU 114 CO 0.00 0.01 -0.01 0.50 -1.11 0.00 0.00 177.39 176.78 1x9l h LYS 115 N -0.36 0.49 -3.99 1.96 3.64 -1.48 -3.46 116.57 113.36 1x9l h LYS 115 Ca -0.47 -0.66 -0.15 0.00 -1.27 0.00 0.00 60.65 58.10 1x9l h LYS 115 Cb 1.29 0.22 -0.19 0.00 -0.41 0.00 0.00 32.23 33.14 1x9l h LYS 115 CO 0.37 1.28 -0.66 1.03 -2.27 0.00 0.00 179.45 179.19 1x9l s ARG 116 N -2.96 0.43 -0.22 1.90 0.52 -1.24 -4.97 118.95 112.40 1x9l s ARG 116 Ca -0.07 -0.76 -0.28 0.00 -0.52 0.00 0.00 55.73 54.09 1x9l s ARG 116 Cb 0.07 0.15 -0.05 0.00 0.52 0.00 0.00 34.95 35.64 1x9l s ARG 116 CO 0.91 -0.08 2.22 -1.25 0.02 0.00 0.00 175.30 177.12 1x9l s PRO 117 N -2.20 3.11 -0.61 3.54 0.04 -1.26 -4.89 135.00 132.74 1x9l s PRO 117 Ca -0.09 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.70 1x9l s PRO 117 Cb -0.04 -4.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.09 1x9l s PRO 117 CO -0.03 -2.13 1.91 -0.51 0.04 0.00 0.00 177.00 176.28 1x9l s LEU 118 N 8.36 3.29 -0.33 -3.56 1.02 -1.26 -4.94 118.68 121.25 1x9l s LEU 118 Ca 1.00 0.38 -0.14 0.00 0.02 0.00 0.00 54.13 55.38 1x9l s LEU 118 Cb -0.33 -2.53 -0.02 0.00 0.02 0.00 0.00 46.19 43.34 1x9l s LEU 118 CO 0.35 -2.43 0.33 -0.75 0.02 0.00 0.00 176.35 173.87 1x9l s LYS 119 N 7.14 3.59 -0.31 1.70 2.20 -1.26 -4.52 119.74 128.28 1x9l s LYS 119 Ca 0.70 -0.43 -0.41 0.00 -0.36 0.00 0.00 55.97 55.46 1x9l s LYS 119 Cb -0.13 -3.79 -0.16 0.00 -1.51 0.00 0.00 37.83 32.24 1x9l s LYS 119 CO 0.21 -0.48 1.73 1.55 -0.36 0.00 0.00 175.35 178.00 1x9l n VAL 120 N 5.20 0.27 0.00 4.02 3.14 -1.26 -1.52 118.33 128.19 1x9l n VAL 120 Ca -0.10 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1x9l n VAL 120 Cb 0.50 -1.14 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 1x9l n VAL 120 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x9l n GLY 121 N 4.19 2.35 1.94 7.55 0.00 0.58 -4.98 105.19 116.83 1x9l n GLY 121 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.57 -0.95 -3.68 1.61 4.07 -0.57 -4.81 120.64 115.73 1x9l n GLU 122 Ca 0.00 -1.02 -0.10 0.00 -0.06 0.00 0.00 57.16 55.97 1x9l n GLU 122 Cb 0.00 -0.73 -0.10 0.00 -0.06 0.00 0.00 31.44 30.55 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1x9l s THR 123 N -2.40 -0.02 -0.03 6.31 2.01 -1.26 -0.96 115.64 119.30 1x9l s THR 123 Ca 0.38 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.47 1x9l s THR 123 Cb -0.02 -0.72 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 1x9l s THR 123 CO 0.27 0.02 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.41 1x9l s VAL 124 N 1.26 1.05 -0.34 3.82 1.01 0.12 -4.92 120.40 122.40 1x9l s VAL 124 Ca -0.08 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 1x9l s VAL 124 Cb -0.07 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1x9l s VAL 124 CO -0.12 0.31 1.26 0.20 0.00 0.00 0.00 175.10 176.75 1x9l s ASN 125 N 0.01 6.67 0.68 3.32 0.01 -1.26 -0.39 114.94 123.98 1x9l s ASN 125 Ca -0.01 1.06 0.01 0.00 -0.71 0.00 0.00 52.86 53.20 1x9l s ASN 125 Cb -0.08 -2.54 0.11 0.00 0.41 0.00 0.00 41.25 39.14 1x9l s ASN 125 CO 0.01 -1.11 0.94 0.27 -1.51 0.00 0.00 177.10 175.70 1x9l s ILE 126 N 4.38 2.22 -0.13 0.60 -4.36 0.54 -4.52 121.20 119.93 1x9l s ILE 126 Ca 0.54 -0.64 -0.06 0.00 -0.26 0.00 0.00 60.65 60.23 1x9l s ILE 126 Cb -0.14 -2.57 0.06 0.00 1.25 0.00 0.00 42.46 41.05 1x9l s ILE 126 CO 0.24 0.00 0.29 -0.89 0.24 0.00 0.00 174.94 174.81 1x9l s THR 127 N -3.04 -0.23 0.75 8.37 2.01 0.57 -0.76 115.64 123.31 1x9l s THR 127 Ca 0.64 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.83 1x9l s THR 127 Cb -0.06 -0.46 0.14 0.00 0.01 0.00 0.00 72.50 72.14 1x9l s THR 127 CO 0.43 0.08 1.03 -1.48 -0.69 0.00 0.00 174.62 173.99 1x9l s LEU 128 N 1.83 2.93 -0.29 4.42 0.05 -0.02 -0.23 118.68 127.37 1x9l s LEU 128 Ca -0.05 -0.44 0.03 0.00 0.05 0.00 0.00 54.13 53.72 1x9l s LEU 128 Cb -0.11 -1.81 0.18 0.00 -2.05 0.00 0.00 46.19 42.41 1x9l s LEU 128 CO -0.09 -1.99 0.54 -0.75 -0.55 0.00 0.00 176.35 173.51 1x9l s LYS 129 N -5.20 0.52 -0.20 1.48 2.20 -1.24 -3.38 119.74 113.90 1x9l s LYS 129 Ca 0.68 0.59 -0.20 0.00 -0.36 0.00 0.00 55.97 56.68 1x9l s LYS 129 Cb -0.04 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 1x9l s LYS 129 CO 0.45 -0.90 0.59 0.00 -0.36 0.00 0.00 175.35 175.13 1x9l s ALA 130 N 2.76 3.55 -1.49 3.13 0.00 0.36 -0.58 121.76 129.49 1x9l s ALA 130 Ca 0.13 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 1x9l s ALA 130 Cb -0.12 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.09 1x9l s ALA 130 CO -0.25 -0.54 2.53 -2.37 0.00 0.00 0.00 175.76 175.13 1x9l n THR 131 N 4.69 4.26 0.06 0.00 5.66 -0.77 -2.70 114.28 125.47 1x9l n THR 131 Ca -0.03 -3.24 0.00 0.00 -3.05 0.00 0.00 64.05 57.74 1x9l n THR 131 Cb 0.50 -2.49 0.00 0.00 -1.55 0.00 0.00 70.33 66.79 1x9l n THR 131 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1x9l n ASP 132 N 3.97 -1.02 0.00 1.09 8.00 -1.26 -4.65 116.55 122.69 1x9l n ASP 132 Ca 0.64 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1x9l n ASP 132 Cb 0.29 1.28 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 1x9l n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x9l n GLY 133 N -1.17 1.55 3.83 0.44 0.00 -1.10 -5.06 105.19 103.67 1x9l n GLY 133 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1x9l n GLY 133 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x9l s ARG 134 N 0.13 2.04 0.24 1.61 3.52 -1.17 -4.93 118.95 120.39 1x9l s ARG 134 Ca 0.00 -1.26 -0.10 0.00 -0.13 0.00 0.00 55.73 54.24 1x9l s ARG 134 Cb 0.00 0.61 -0.07 0.00 -1.56 0.00 0.00 34.95 33.93 1x9l s ARG 134 CO 0.00 -0.95 0.57 -0.08 -0.81 0.00 0.00 175.30 174.03 1x9l s THR 135 N -2.83 4.91 -0.16 4.11 -1.32 -1.26 -0.49 115.64 118.61 1x9l s THR 135 Ca 0.14 0.49 -0.20 0.00 -1.21 0.00 0.00 61.69 60.91 1x9l s THR 135 Cb -0.05 -3.62 0.05 0.00 -1.51 0.00 0.00 72.50 67.36 1x9l s THR 135 CO 0.10 -0.10 0.53 -0.22 -2.21 0.00 0.00 174.62 172.72 1x9l s LEU 136 N -2.89 -0.05 -0.10 9.08 2.96 -1.22 -4.96 118.68 121.50 1x9l s LEU 136 Ca 0.48 0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 55.13 1x9l s LEU 136 Cb -0.11 1.89 -0.05 0.00 0.50 0.00 0.00 46.19 48.43 1x9l s LEU 136 CO 0.22 -0.29 0.43 0.54 -1.32 0.00 0.00 176.35 175.93 1x9l s ASN 137 N -0.16 6.67 -0.03 3.68 4.22 -1.26 -0.84 114.94 127.22 1x9l s ASN 137 Ca -0.04 0.79 -0.00 0.00 -2.14 0.00 0.00 52.86 51.48 1x9l s ASN 137 Cb -0.03 -2.26 0.03 0.00 1.28 0.00 0.00 41.25 40.26 1x9l s ASN 137 CO 0.03 0.09 0.01 -0.69 -2.04 0.00 0.00 177.10 174.50 1x9l s VAL 138 N 0.23 0.09 -0.51 3.54 1.01 0.06 -4.97 120.40 119.85 1x9l s VAL 138 Ca 0.24 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 1x9l s VAL 138 Cb -0.15 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.04 1x9l s VAL 138 CO 0.10 0.14 1.02 0.00 0.00 0.00 0.00 175.10 176.35 1x9l s ALA 139 N 1.20 3.15 -0.28 5.51 0.00 -1.26 -0.34 121.76 129.74 1x9l s ALA 139 Ca -0.07 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 1x9l s ALA 139 Cb -0.13 -3.79 -0.02 0.00 0.00 0.00 0.00 23.12 19.18 1x9l s ALA 139 CO -0.02 -2.31 0.49 0.00 0.00 0.00 0.00 175.76 173.92 1x9l s ALA 140 N 4.16 3.56 0.01 0.00 0.00 0.47 -4.30 121.76 125.67 1x9l s ALA 140 Ca 0.38 -0.73 -0.26 0.00 0.00 0.00 0.00 51.96 51.35 1x9l s ALA 140 Cb -0.10 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1x9l s ALA 140 CO 0.25 -0.83 0.80 0.99 0.00 0.00 0.00 175.76 176.97 1x9l s THR 141 N 2.29 4.83 -0.38 0.00 2.01 -0.64 -0.71 115.64 123.05 1x9l s THR 141 Ca 0.19 1.70 -0.12 0.00 0.31 0.00 0.00 61.69 63.77 1x9l s THR 141 Cb -0.16 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.22 1x9l s THR 141 CO 0.10 0.29 0.24 -0.69 -0.69 0.00 0.00 174.62 173.87 1x9l s VAL 142 N 0.39 4.89 -0.27 3.82 1.01 -0.14 -0.48 120.40 129.62 1x9l s VAL 142 Ca 0.42 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1x9l s VAL 142 Cb -0.20 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 32.64 1x9l s VAL 142 CO 0.23 -0.20 0.57 -1.59 0.00 0.00 0.00 175.10 174.11 1x9l s LYS 143 N 1.62 0.51 0.82 2.72 -2.85 0.58 -0.31 119.74 122.83 1x9l s LYS 143 Ca 0.04 1.20 -0.09 0.00 -1.00 0.00 0.00 55.97 56.11 1x9l s LYS 143 Cb -0.19 0.59 0.14 0.00 -2.06 0.00 0.00 37.83 36.31 1x9l s LYS 143 CO 0.08 -0.34 1.14 -1.59 0.10 0.00 0.00 175.35 174.75 1x9l s LYS 144 N 2.80 1.40 0.28 1.78 -2.85 -1.26 -3.95 119.74 117.94 1x9l s LYS 144 Ca 0.02 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 1x9l s LYS 144 Cb -0.13 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 33.57 1x9l s LYS 144 CO -0.18 -1.80 0.00 0.27 0.10 0.00 0.00 175.35 173.74 1x9l n ASN 145 N -3.26 -7.00 -4.61 0.03 6.94 -1.26 -4.22 115.26 101.88 1x9l n ASN 145 Ca 0.13 0.48 -0.43 0.00 -0.02 0.00 0.00 54.58 54.74 1x9l n ASN 145 Cb 0.60 -3.68 -0.03 0.00 -2.36 0.00 0.00 39.78 34.31 1x9l n ASN 145 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1x9l s ILE 146 N -2.05 3.28 -0.10 1.53 1.09 -1.26 -4.93 121.20 118.75 1x9l s ILE 146 Ca 0.00 0.29 -0.07 0.00 -1.10 0.00 0.00 60.65 59.77 1x9l s ILE 146 Cb 0.00 -3.33 0.04 0.00 -1.06 0.00 0.00 42.46 38.10 1x9l s ILE 146 CO 0.00 -0.19 0.25 -0.70 -0.10 0.00 0.00 174.94 174.20 1x9l s GLU 147 N 5.66 0.25 0.00 2.79 2.56 -1.26 -4.99 118.70 123.71 1x9l s GLU 147 Ca 0.88 0.46 0.00 0.00 0.00 0.00 0.00 54.97 56.31 1x9l s GLU 147 Cb -0.29 -0.01 0.00 0.00 2.00 0.00 0.00 34.13 35.83 1x9l s GLU 147 CO 0.34 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.35 1x9l n GLY 148 N 3.69 0.77 0.00 -1.50 0.00 -1.26 -5.04 105.19 101.84 1x9l n GLY 148 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1x9l n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86