#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9l n GLY 2 N 0.00 -0.40 3.48 3.03 0.00 -1.26 -4.98 105.19 105.07 1x9l n GLY 2 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.49 -0.81 -0.01 1.61 5.65 -1.26 -5.16 115.29 111.82 1x9l s HIS 3 Ca 0.38 1.72 -0.28 0.00 0.25 0.00 0.00 55.06 57.13 1x9l s HIS 3 Cb -0.19 0.42 0.07 0.00 -1.18 0.00 0.00 32.58 31.69 1x9l s HIS 3 CO 0.83 -0.42 0.63 0.99 -0.65 0.00 0.00 174.74 176.13 1x9l s THR 4 N 1.25 0.01 -0.11 0.89 2.01 -1.26 -5.20 115.64 113.22 1x9l s THR 4 Ca -0.08 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.64 1x9l s THR 4 Cb -0.06 -0.98 0.06 0.00 0.01 0.00 0.00 72.50 71.53 1x9l s THR 4 CO -0.13 -0.03 0.58 0.00 -0.69 0.00 0.00 174.62 174.35 1x9l s MET 5 N -1.69 0.84 0.94 4.92 0.00 -1.26 -5.18 119.30 117.88 1x9l s MET 5 Ca -0.09 0.41 -0.15 0.00 0.00 0.00 0.00 55.69 55.86 1x9l s MET 5 Cb -0.00 0.40 0.17 0.00 0.00 0.00 0.00 34.83 35.40 1x9l s MET 5 CO 0.05 -0.20 1.26 -1.25 0.00 0.00 0.00 175.02 174.88 1x9l s PRO 6 N -0.60 0.84 -0.04 3.16 0.04 -1.26 -5.12 135.00 132.02 1x9l s PRO 6 Ca -0.07 -0.20 -0.26 0.00 0.04 0.00 0.00 61.00 60.51 1x9l s PRO 6 Cb -0.03 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.72 1x9l s PRO 6 CO 0.05 -2.31 0.56 0.00 0.04 0.00 0.00 177.00 175.34 1x9l s ALA 7 N -3.69 -1.45 -0.10 8.56 0.00 -1.26 -5.19 121.76 118.62 1x9l s ALA 7 Ca 0.70 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 1x9l s ALA 7 Cb -0.07 0.03 0.12 0.00 0.00 0.00 0.00 23.12 23.19 1x9l s ALA 7 CO 0.52 -0.34 0.97 -3.38 0.00 0.00 0.00 175.76 173.54 1x9l s HIS 8 N -1.24 -0.34 0.29 0.00 -3.43 -1.26 -5.15 115.29 104.16 1x9l s HIS 8 Ca -0.12 0.43 -0.30 0.00 -0.80 0.00 0.00 55.06 54.28 1x9l s HIS 8 Cb -0.02 0.49 -0.11 0.00 -1.43 0.00 0.00 32.58 31.51 1x9l s HIS 8 CO 0.08 -0.41 1.58 0.99 -2.00 0.00 0.00 174.74 174.98 1x9l s THR 9 N -1.96 2.12 0.87 -5.38 2.01 -1.26 -5.01 115.64 107.04 1x9l s THR 9 Ca 0.02 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 1x9l s THR 9 Cb -0.01 -3.07 0.12 0.00 0.01 0.00 0.00 72.50 69.55 1x9l s THR 9 CO -0.03 0.02 1.10 -2.16 -0.69 0.00 0.00 174.62 172.86 1x9l s PRO 10 N -0.52 1.44 -1.10 4.92 0.04 -1.26 -4.87 135.00 133.65 1x9l s PRO 10 Ca 0.63 1.18 -0.22 0.00 0.04 0.00 0.00 61.00 62.62 1x9l s PRO 10 Cb -0.47 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1x9l s PRO 10 CO 0.48 -2.22 1.92 -0.35 0.04 0.00 0.00 177.00 176.87 1x9l n PRO 11 N -3.91 1.78 -1.49 0.56 -0.04 -1.26 -4.85 135.00 125.78 1x9l n PRO 11 Ca 0.09 -2.40 -0.34 0.00 -0.04 0.00 0.00 63.50 60.80 1x9l n PRO 11 Cb 0.53 -3.49 -0.07 0.00 -0.04 0.00 0.00 33.50 30.43 1x9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 12 N 11.80 2.09 -1.56 0.55 0.00 -1.26 -4.92 120.51 127.22 1x9l n ALA 12 Ca 0.47 -3.01 -0.58 0.00 0.00 0.00 0.00 53.44 50.32 1x9l n ALA 12 Cb 0.45 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.26 1x9l n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n GLN 13 N 7.76 0.42 -3.59 0.00 10.64 -1.26 -4.98 117.38 126.36 1x9l n GLN 13 Ca 0.47 0.15 -0.13 0.00 -1.83 0.00 0.00 57.00 55.65 1x9l n GLN 13 Cb 0.44 -1.71 -0.06 0.00 -0.86 0.00 0.00 30.24 28.05 1x9l n GLN 13 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1x9l s THR 14 N 0.61 0.00 -0.08 -0.39 2.01 -1.26 -5.19 115.64 111.33 1x9l s THR 14 Ca 0.91 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 1x9l s THR 14 Cb -1.18 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 70.39 1x9l s THR 14 CO 0.56 0.00 0.66 0.00 -0.69 0.00 0.00 174.62 175.15 1x9l s ALA 15 N -0.36 -1.69 0.30 7.40 0.00 -1.26 -5.15 121.76 120.99 1x9l s ALA 15 Ca -0.03 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 1x9l s ALA 15 Cb -0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 23.12 22.82 1x9l s ALA 15 CO 0.02 -0.36 1.12 -1.25 0.00 0.00 0.00 175.76 175.30 1x9l s PRO 16 N -0.95 4.55 -1.06 0.00 0.04 -1.26 -4.92 135.00 131.41 1x9l s PRO 16 Ca -0.09 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.71 1x9l s PRO 16 Cb -0.01 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.31 1x9l s PRO 16 CO 0.08 0.12 2.75 0.00 0.04 0.00 0.00 177.00 179.99 1x9l n ALA 17 N 1.02 6.28 -2.70 8.56 0.00 -1.26 -4.89 120.51 127.53 1x9l n ALA 17 Ca -0.00 -2.63 -0.27 0.00 0.00 0.00 0.00 53.44 50.53 1x9l n ALA 17 Cb 0.45 -3.03 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 1x9l n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l s ALA 18 N 2.34 3.76 -0.87 0.00 0.00 -1.26 -4.99 121.76 120.75 1x9l s ALA 18 Ca 0.58 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.57 1x9l s ALA 18 Cb 0.18 -2.08 -0.13 0.00 0.00 0.00 0.00 23.12 21.09 1x9l s ALA 18 CO -0.04 0.34 1.98 1.04 0.00 0.00 0.00 175.76 179.08 1x9l n GLN 19 N -0.84 1.72 0.00 0.00 6.02 -1.26 -3.17 117.38 119.85 1x9l n GLN 19 Ca -0.04 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.03 1x9l n GLN 19 Cb 0.54 -2.93 0.00 0.00 1.02 0.00 0.00 30.24 28.87 1x9l n GLN 19 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x9l n LYS 20 N 6.69 0.00 -3.34 -1.09 4.76 -1.26 -5.05 118.16 118.87 1x9l n LYS 20 Ca 0.50 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.70 1x9l n LYS 20 Cb 0.38 -0.17 0.02 0.00 -1.84 0.00 0.00 35.03 33.43 1x9l n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x9l n ALA 21 N -2.05 -1.08 0.00 7.82 0.00 -1.19 -4.90 120.51 119.11 1x9l n ALA 21 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1x9l n ALA 21 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 19.45 15.73 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 -1.46 0.88 3.79 0.00 0.00 -1.26 -5.19 105.19 101.94 1x9l n GLY 22 Ca -0.04 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 1x9l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l s ALA 23 N -2.00 -1.64 0.10 4.61 0.00 -1.26 -5.10 121.76 116.47 1x9l s ALA 23 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 1x9l s ALA 23 Cb 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1x9l s ALA 23 CO 0.00 -1.05 0.13 -0.65 0.00 0.00 0.00 175.76 174.19 1x9l s GLN 24 N -2.86 0.86 0.51 0.00 -0.21 -1.26 -5.17 119.66 111.54 1x9l s GLN 24 Ca 0.15 -1.17 -0.09 0.00 0.02 0.00 0.00 55.36 54.27 1x9l s GLN 24 Cb -0.01 0.30 -0.05 0.00 1.00 0.00 0.00 33.01 34.24 1x9l s GLN 24 CO 0.03 -0.26 0.88 0.00 -2.12 0.00 0.00 175.29 173.83 1x9l s ALA 25 N -3.94 3.26 0.03 6.09 0.00 -1.26 -5.06 121.76 120.88 1x9l s ALA 25 Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 1x9l s ALA 25 Cb 0.06 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 1x9l s ALA 25 CO -0.06 -0.37 -0.03 -0.48 0.00 0.00 0.00 175.76 174.81 1x9l s LEU 26 N -4.62 2.30 0.97 0.00 2.34 0.05 -5.02 118.68 114.69 1x9l s LEU 26 Ca 0.52 -0.62 -0.11 0.00 0.06 0.00 0.00 54.13 53.98 1x9l s LEU 26 Cb -0.10 0.11 0.17 0.00 -0.56 0.00 0.00 46.19 45.80 1x9l s LEU 26 CO 0.43 -0.36 1.09 -2.16 -1.06 0.00 0.00 176.35 174.29 1x9l s PRO 27 N -2.02 0.67 -1.41 1.48 0.04 -1.26 -3.63 135.00 128.88 1x9l s PRO 27 Ca -0.10 0.99 -0.09 0.00 0.04 0.00 0.00 61.00 61.84 1x9l s PRO 27 Cb -0.06 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 1x9l s PRO 27 CO -0.03 -2.69 2.98 1.55 0.04 0.00 0.00 177.00 178.85 1x9l n VAL 28 N -4.21 4.26 -2.84 -0.36 3.14 -1.26 -4.19 118.33 112.87 1x9l n VAL 28 Ca 0.07 -2.64 -0.11 0.00 -2.96 0.00 0.00 64.34 58.70 1x9l n VAL 28 Cb 0.54 -2.49 0.06 0.00 -1.06 0.00 0.00 33.84 30.90 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 3.25 0.02 -3.29 1.55 -2.24 -1.26 -4.59 114.28 107.72 1x9l n THR 29 Ca 0.73 -2.38 -0.26 0.00 -2.27 0.00 0.00 64.05 59.87 1x9l n THR 29 Cb 0.31 0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.19 2.05 -3.21 2.28 3.14 -1.26 -5.06 118.33 116.46 1x9l n VAL 30 Ca 0.10 -5.13 -0.20 0.00 -2.96 0.00 0.00 64.34 56.15 1x9l n VAL 30 Cb 0.72 -1.88 0.01 0.00 -1.06 0.00 0.00 33.84 31.63 1x9l n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x9l s GLN 31 N -2.53 3.02 0.00 1.45 -2.07 -1.25 -4.56 119.66 113.72 1x9l s GLN 31 Ca 0.41 -0.88 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 1x9l s GLN 31 Cb 0.19 -2.72 0.00 0.00 -1.09 0.00 0.00 33.01 29.39 1x9l s GLN 31 CO -0.05 -0.13 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1x9l n GLY 32 N -1.84 1.65 3.32 2.60 0.00 -1.26 -5.03 105.19 104.63 1x9l n GLY 32 Ca 0.02 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.74 -0.03 4.61 0.00 -1.26 -4.89 121.76 114.19 1x9l s ALA 33 Ca 0.00 1.89 0.06 0.00 0.00 0.00 0.00 51.96 53.91 1x9l s ALA 33 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 1x9l s ALA 33 CO 0.00 -1.14 -0.20 0.95 0.00 0.00 0.00 175.76 175.37 1x9l s THR 34 N 2.70 1.57 0.04 0.00 -4.23 -0.79 -1.02 115.64 113.92 1x9l s THR 34 Ca 0.01 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1x9l s THR 34 Cb -0.09 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 1x9l s THR 34 CO -0.17 0.45 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.55 1x9l s VAL 35 N -0.32 0.91 -0.37 2.29 1.01 -0.06 0.01 120.40 123.87 1x9l s VAL 35 Ca 0.04 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 1x9l s VAL 35 Cb -0.09 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1x9l s VAL 35 CO 0.00 -0.14 0.57 0.00 0.00 0.00 0.00 175.10 175.54 1x9l s ALA 36 N -1.02 3.44 0.13 5.51 0.00 -1.17 0.22 121.76 128.86 1x9l s ALA 36 Ca -0.02 -1.04 -0.34 0.00 0.00 0.00 0.00 51.96 50.56 1x9l s ALA 36 Cb -0.08 -3.13 -0.14 0.00 0.00 0.00 0.00 23.12 19.77 1x9l s ALA 36 CO 0.01 -1.40 1.58 0.00 0.00 0.00 0.00 175.76 175.95 1x9l n ALA 37 N 5.93 1.04 -0.05 0.00 0.00 -1.26 -4.44 120.51 121.73 1x9l n ALA 37 Ca -0.03 0.44 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 1x9l n ALA 37 Cb 0.48 -2.33 -0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 3.48 0.00 -0.66 0.00 0.31 -1.26 -4.66 118.33 115.54 1x9l n VAL 38 Ca 0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.22 1x9l n VAL 38 Cb 0.28 -0.02 0.22 0.00 -0.91 0.00 0.00 33.84 33.41 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 0.27 -0.29 -0.92 5.55 0.02 -1.26 -4.87 135.00 133.50 1x9l s PRO 39 Ca 0.05 0.97 -0.07 0.00 0.02 0.00 0.00 61.00 61.97 1x9l s PRO 39 Cb -0.05 -1.62 -0.09 0.00 0.02 0.00 0.00 34.50 32.76 1x9l s PRO 39 CO 0.02 -3.34 2.51 -0.35 -0.33 0.00 0.00 177.00 175.51 1x9l n PRO 40 N -4.66 2.42 -2.71 5.54 -0.04 -1.26 -4.00 135.00 130.29 1x9l n PRO 40 Ca 0.05 -1.51 -0.03 0.00 -0.04 0.00 0.00 63.50 61.97 1x9l n PRO 40 Cb 0.54 -2.42 0.10 0.00 -0.04 0.00 0.00 33.50 31.68 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 3.68 -0.72 -0.19 3.54 7.64 -1.26 -5.13 113.62 121.17 1x9l n SER 41 Ca 0.52 -2.27 0.02 0.00 1.01 0.00 0.00 58.87 58.15 1x9l n SER 41 Cb 0.28 0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.89 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 -1.06 -0.05 -0.28 0.44 5.41 -1.26 -4.37 119.36 118.19 1x9l n ILE 42 Ca -0.08 0.09 0.12 0.00 1.00 0.00 0.00 62.75 63.88 1x9l n ILE 42 Cb 0.85 -0.15 0.24 0.00 -0.71 0.00 0.00 39.64 39.87 1x9l n ILE 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1x9l n ARG 43 N -2.56 -0.07 -1.43 0.38 3.00 -1.26 -4.51 116.66 110.21 1x9l n ARG 43 Ca -0.01 1.22 -0.46 0.00 -0.00 0.00 0.00 57.85 58.61 1x9l n ARG 43 Cb 0.09 -1.95 -0.02 0.00 0.00 0.00 0.00 32.46 30.58 1x9l n ARG 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1x9l n ASP 44 N -5.17 -0.89 -2.00 6.15 9.92 -1.26 -4.20 116.55 119.10 1x9l n ASP 44 Ca 0.19 1.08 -0.05 0.00 -0.53 0.00 0.00 54.79 55.48 1x9l n ASP 44 Cb 0.63 -1.03 0.01 0.00 -0.64 0.00 0.00 41.12 40.10 1x9l n ASP 44 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1x9l n THR 45 N -0.15 0.00 -3.87 -3.53 5.66 -1.26 -4.55 114.28 106.59 1x9l n THR 45 Ca 0.15 -0.60 -0.09 0.00 -3.05 0.00 0.00 64.05 60.46 1x9l n THR 45 Cb 0.29 0.56 -0.08 0.00 -1.55 0.00 0.00 70.33 69.55 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 -1.67 -0.23 0.42 1.79 0.00 -1.26 -1.78 121.76 119.02 1x9l s ALA 46 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1x9l s ALA 46 Cb -0.02 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1x9l s ALA 46 CO 0.07 -0.45 0.64 0.00 0.00 0.00 0.00 175.76 176.01 1x9l s ALA 47 N -3.45 3.75 -0.04 0.00 0.00 0.02 -3.04 121.76 119.00 1x9l s ALA 47 Ca 0.02 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1x9l s ALA 47 Cb 0.03 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 21.04 1x9l s ALA 47 CO -0.09 -0.28 -0.05 0.71 0.00 0.00 0.00 175.76 176.06 1x9l s TYR 48 N -2.49 0.78 0.27 0.00 1.51 0.10 -4.36 117.35 113.16 1x9l s TYR 48 Ca 0.46 -0.22 -0.07 0.00 -1.01 0.00 0.00 57.07 56.23 1x9l s TYR 48 Cb -0.10 -0.66 0.03 0.00 -0.11 0.00 0.00 41.96 41.12 1x9l s TYR 48 CO 0.37 -0.18 0.48 -1.33 -1.11 0.00 0.00 175.55 173.79 1x9l n MET 49 N 3.93 0.69 -3.93 -0.62 2.81 -1.01 -1.88 117.12 117.11 1x9l n MET 49 Ca -0.25 -1.70 -0.14 0.00 -1.81 0.00 0.00 57.70 53.80 1x9l n MET 49 Cb 0.51 1.93 -0.15 0.00 -0.71 0.00 0.00 33.22 34.81 1x9l n MET 49 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1x9l s THR 50 N -2.49 0.10 0.06 2.03 -1.32 -1.26 -0.90 115.64 111.86 1x9l s THR 50 Ca 0.14 -0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.60 1x9l s THR 50 Cb -0.02 -0.13 -0.04 0.00 -1.51 0.00 0.00 72.50 70.80 1x9l s THR 50 CO 0.11 0.05 0.23 -0.76 -2.21 0.00 0.00 174.62 172.04 1x9l s LEU 51 N 0.24 4.35 -0.42 9.08 2.01 -0.36 -3.96 118.68 129.61 1x9l s LEU 51 Ca -0.02 0.33 0.02 0.00 0.01 0.00 0.00 54.13 54.48 1x9l s LEU 51 Cb -0.04 -2.96 0.15 0.00 0.01 0.00 0.00 46.19 43.35 1x9l s LEU 51 CO -0.01 0.17 0.29 -0.89 1.01 0.00 0.00 176.35 176.92 1x9l s THR 52 N -1.50 0.74 -0.32 5.49 2.01 -1.26 -2.46 115.64 118.33 1x9l s THR 52 Ca 0.35 -2.44 -0.29 0.00 0.31 0.00 0.00 61.69 59.61 1x9l s THR 52 Cb -0.13 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.86 1x9l s THR 52 CO 0.26 -1.05 1.37 0.21 -0.69 0.00 0.00 174.62 174.72 1x9l s ASN 53 N 0.35 6.54 -0.47 3.53 3.84 -1.08 -4.28 114.94 123.37 1x9l s ASN 53 Ca 0.24 1.16 0.09 0.00 0.21 0.00 0.00 52.86 54.55 1x9l s ASN 53 Cb -0.13 -2.54 0.37 0.00 -0.55 0.00 0.00 41.25 38.40 1x9l s ASN 53 CO -0.08 -1.20 0.90 0.29 -2.79 0.00 0.00 177.10 174.23 1x9l n LYS 54 N 7.56 2.34 0.00 0.43 4.76 -1.24 -4.76 118.16 127.25 1x9l n LYS 54 Ca 0.16 -4.19 0.00 0.00 -2.87 0.00 0.00 58.31 51.41 1x9l n LYS 54 Cb 0.47 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 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 -0.09 0.00 -3.22 4.39 7.64 -1.25 -0.77 113.62 120.32 1x9l n SER 55 Ca 0.28 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.01 1x9l n SER 55 Cb 0.56 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.74 -6.41 -3.88 6.43 8.00 -1.26 -5.00 116.55 113.69 1x9l n ASP 56 Ca 0.00 -0.69 -0.11 0.00 0.71 0.00 0.00 54.79 54.70 1x9l n ASP 56 Cb 0.00 -5.12 -0.11 0.00 -0.02 0.00 0.00 41.12 35.87 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 -4.39 0.35 -1.12 -1.24 -1.52 -1.26 -4.66 119.66 105.82 1x9l s GLN 57 Ca 0.43 -0.29 -0.17 0.00 -1.95 0.00 0.00 55.36 53.39 1x9l s GLN 57 Cb -0.06 0.14 0.12 0.00 -0.22 0.00 0.00 33.01 33.00 1x9l s GLN 57 CO 0.72 -0.07 1.41 -1.25 -0.25 0.00 0.00 175.29 175.85 1x9l s PRO 58 N -0.99 3.86 -0.70 2.91 0.04 -1.26 -3.42 135.00 135.44 1x9l s PRO 58 Ca -0.11 -2.03 -0.15 0.00 0.04 0.00 0.00 61.00 58.76 1x9l s PRO 58 Cb -0.06 -5.16 0.18 0.00 0.04 0.00 0.00 34.50 29.50 1x9l s PRO 58 CO 0.01 -1.93 0.65 0.42 0.04 0.00 0.00 177.00 176.19 1x9l s ILE 59 N 2.89 5.40 0.10 0.56 1.09 -1.06 -4.95 121.20 125.24 1x9l s ILE 59 Ca 0.43 -2.08 -0.30 0.00 -1.10 0.00 0.00 60.65 57.60 1x9l s ILE 59 Cb -0.02 -4.39 -0.06 0.00 -1.06 0.00 0.00 42.46 36.94 1x9l s ILE 59 CO -0.03 -0.96 0.95 -1.59 -0.10 0.00 0.00 174.94 173.21 1x9l s LYS 60 N 0.76 4.68 -0.33 2.79 -2.85 -1.26 -4.21 119.74 119.31 1x9l s LYS 60 Ca 0.12 1.42 -0.13 0.00 -1.00 0.00 0.00 55.97 56.38 1x9l s LYS 60 Cb -0.19 -3.38 -0.02 0.00 -2.06 0.00 0.00 37.83 32.19 1x9l s LYS 60 CO -0.04 0.21 0.26 -1.17 0.10 0.00 0.00 175.35 174.72 1x9l s LEU 61 N 0.02 4.45 -0.37 2.77 1.98 0.08 -1.35 118.68 126.26 1x9l s LEU 61 Ca 0.46 -0.33 0.11 0.00 -2.89 0.00 0.00 54.13 51.48 1x9l s LEU 61 Cb -0.23 -2.18 0.45 0.00 0.66 0.00 0.00 46.19 44.88 1x9l s LEU 61 CO 0.29 -0.24 1.07 0.52 -1.89 0.00 0.00 176.35 176.11 1x9l n VAL 62 N 5.13 1.89 -3.51 1.68 0.31 0.35 -1.32 118.33 122.85 1x9l n VAL 62 Ca -0.12 -4.10 -0.10 0.00 -0.01 0.00 0.00 64.34 60.00 1x9l n VAL 62 Cb 0.50 -0.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.95 1x9l n VAL 62 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1x9l s GLY 63 N -3.45 -0.46 -0.45 2.92 0.00 -0.83 -4.55 107.32 100.51 1x9l s GLY 63 Ca 0.40 1.19 0.07 0.00 0.00 0.00 0.00 44.72 46.38 1x9l s GLY 63 CO -0.08 0.53 1.09 0.00 0.00 0.00 0.00 173.10 174.64 1x9l n ALA 64 N 0.07 -0.50 -2.57 3.20 0.00 -1.26 -3.59 120.51 115.87 1x9l n ALA 64 Ca -0.11 -1.62 -0.39 0.00 0.00 0.00 0.00 53.44 51.31 1x9l n ALA 64 Cb 0.61 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 0.03 3.39 -0.24 0.00 0.00 0.17 -4.85 121.76 120.26 1x9l s ALA 65 Ca 0.24 0.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 1x9l s ALA 65 Cb 0.30 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.58 1x9l s ALA 65 CO -0.05 0.02 0.64 -0.08 0.00 0.00 0.00 175.76 176.29 1x9l s THR 66 N 0.30 -0.00 -1.15 0.00 -1.32 -1.26 -0.34 115.64 111.87 1x9l s THR 66 Ca 0.36 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.71 1x9l s THR 66 Cb -0.18 -0.90 -0.07 0.00 -1.51 0.00 0.00 72.50 69.84 1x9l s THR 66 CO 0.19 0.00 2.26 -0.81 -2.21 0.00 0.00 174.62 174.05 1x9l n PRO 67 N 2.80 2.43 0.17 7.08 -0.04 -1.26 -3.03 135.00 143.15 1x9l n PRO 67 Ca -0.14 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1x9l n PRO 67 Cb 0.56 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1x9l n PRO 67 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1x9l n LEU 68 N 5.44 -2.78 -4.85 1.53 0.00 -1.26 -4.94 117.00 110.14 1x9l n LEU 68 Ca 0.55 0.64 -0.32 0.00 0.00 0.00 0.00 56.01 56.87 1x9l n LEU 68 Cb 0.29 2.72 -0.05 0.00 0.00 0.00 0.00 43.42 46.38 1x9l n LEU 68 CO 0.88 -0.00 0.53 0.00 0.00 0.00 0.00 177.39 178.79 1x9l s ALA 69 N -2.00 3.22 -0.09 1.96 0.00 -1.17 -0.72 121.76 122.96 1x9l s ALA 69 Ca 0.00 0.08 0.14 0.00 0.00 0.00 0.00 51.96 52.18 1x9l s ALA 69 Cb 0.00 -2.90 -0.21 0.00 0.00 0.00 0.00 23.12 20.01 1x9l s ALA 69 CO 0.00 0.08 0.34 2.41 0.00 0.00 0.00 175.76 178.59 1x9l n THR 70 N -0.93 0.00 -3.18 0.00 -1.04 0.63 -4.81 114.28 104.96 1x9l n THR 70 Ca 0.05 -0.30 -0.23 0.00 -2.04 0.00 0.00 64.05 61.52 1x9l n THR 70 Cb 0.54 0.27 -0.05 0.00 -1.82 0.00 0.00 70.33 69.27 1x9l n THR 70 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1x9l n SER 71 N -1.91 1.79 -4.56 8.00 7.64 0.28 -4.95 113.62 119.92 1x9l n SER 71 Ca -0.02 -3.11 -0.40 0.00 1.01 0.00 0.00 58.87 56.35 1x9l n SER 71 Cb 0.35 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 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 -2.28 2.86 -0.16 1.43 0.04 -1.26 -2.68 135.00 132.95 1x9l s PRO 72 Ca 0.40 0.50 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 1x9l s PRO 72 Cb 0.25 -4.31 -0.01 0.00 0.04 0.00 0.00 34.50 30.48 1x9l s PRO 72 CO -0.09 -2.47 -0.11 -1.64 0.04 0.00 0.00 177.00 172.72 1x9l s MET 73 N 6.53 3.35 0.34 4.56 -1.94 0.03 -4.90 119.30 127.27 1x9l s MET 73 Ca 0.61 -0.68 -0.24 0.00 -1.71 0.00 0.00 55.69 53.66 1x9l s MET 73 Cb -0.12 -2.73 -0.10 0.00 2.01 0.00 0.00 34.83 33.89 1x9l s MET 73 CO 0.21 0.06 0.92 -0.51 -0.01 0.00 0.00 175.02 175.69 1x9l s LEU 74 N 0.76 4.23 0.19 -0.03 1.43 -1.26 -0.09 118.68 123.90 1x9l s LEU 74 Ca -0.05 1.75 -0.09 0.00 -1.03 0.00 0.00 54.13 54.71 1x9l s LEU 74 Cb -0.15 -4.13 -0.01 0.00 0.03 0.00 0.00 46.19 41.93 1x9l s LEU 74 CO 0.01 -0.14 0.32 -0.04 0.23 0.00 0.00 176.35 176.73 1x9l s MET 75 N -2.37 1.25 -0.02 1.70 -1.94 0.25 -3.71 119.30 114.47 1x9l s MET 75 Ca 0.53 -1.22 0.01 0.00 -1.71 0.00 0.00 55.69 53.29 1x9l s MET 75 Cb -0.16 0.39 0.02 0.00 2.01 0.00 0.00 34.83 37.09 1x9l s MET 75 CO 0.20 -0.47 -0.01 0.99 -0.01 0.00 0.00 175.02 175.72 1x9l s THR 76 N -3.99 0.18 0.84 2.05 2.01 -0.54 -1.00 115.64 115.18 1x9l s THR 76 Ca 0.20 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 1x9l s THR 76 Cb 0.03 -0.23 0.19 0.00 0.01 0.00 0.00 72.50 72.50 1x9l s THR 76 CO 0.03 0.11 1.14 1.07 -0.69 0.00 0.00 174.62 176.28 1x9l n THR 77 N 3.69 0.00 -1.58 -0.82 5.66 -1.16 -1.63 114.28 118.44 1x9l n THR 77 Ca -0.21 -1.06 -0.41 0.00 -3.05 0.00 0.00 64.05 59.32 1x9l n THR 77 Cb 0.54 -1.37 -0.01 0.00 -1.55 0.00 0.00 70.33 67.93 1x9l n THR 77 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1x9l n THR 78 N -3.42 3.73 -3.09 1.09 -1.04 -1.26 -0.48 114.28 109.80 1x9l n THR 78 Ca 0.15 -2.85 -0.07 0.00 -2.04 0.00 0.00 64.05 59.25 1x9l n THR 78 Cb 0.54 -2.61 0.03 0.00 -1.82 0.00 0.00 70.33 66.47 1x9l n THR 78 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1x9l n HIS 79 N 5.26 -2.65 0.00 -1.42 -0.00 -1.26 -4.84 115.22 110.32 1x9l n HIS 79 Ca 0.61 0.97 0.00 0.00 0.46 0.00 0.00 57.72 59.76 1x9l n HIS 79 Cb 0.34 -4.05 0.00 0.00 -0.12 0.00 0.00 29.99 26.16 1x9l n HIS 79 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1x9l n SER 80 N -2.41 0.00 0.00 0.26 2.88 -1.26 -5.00 113.62 108.09 1x9l n SER 80 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1x9l n SER 80 Cb 0.55 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 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 -1.45 0.65 0.29 0.46 0.00 -1.26 -4.93 105.19 98.95 1x9l n GLY 81 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.57 0.00 -0.02 0.00 -1.83 -3.45 103.07 98.34 1x9l h GLY 82 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1x9l h GLY 82 CO 0.00 -0.30 0.00 -0.13 0.00 0.00 0.00 176.54 176.11 1x9l n MET 83 N -5.51 0.00 0.00 4.80 0.00 -1.26 -4.62 117.12 110.53 1x9l n MET 83 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1x9l n MET 83 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.62 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 -1.49 0.00 0.00 -5.12 0.00 -1.20 -4.13 120.51 108.57 1x9l n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x9l n ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 2.28 2.49 0.00 0.00 0.37 -4.77 105.19 105.56 1x9l n GLY 85 Ca 0.00 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 1.88 3.09 -2.04 1.61 1.56 -0.64 -4.35 117.12 118.22 1x9l n MET 86 Ca 0.00 -2.09 -0.30 0.00 -0.27 0.00 0.00 57.70 55.04 1x9l n MET 86 Cb 0.00 -2.82 0.03 0.00 2.15 0.00 0.00 33.22 32.58 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 2.78 3.18 -1.39 2.12 -2.85 -1.26 -4.89 119.74 117.42 1x9l s LYS 87 Ca 0.59 0.45 -0.16 0.00 -1.00 0.00 0.00 55.97 55.85 1x9l s LYS 87 Cb 0.15 -2.12 0.05 0.00 -2.06 0.00 0.00 37.83 33.86 1x9l s LYS 87 CO -0.05 -0.74 2.03 -0.12 0.10 0.00 0.00 175.35 176.57 1x9l n MET 88 N -2.78 3.00 -1.68 1.78 0.00 -1.26 -4.29 117.12 111.89 1x9l n MET 88 Ca 0.06 -2.88 -0.41 0.00 -0.00 0.00 0.00 57.70 54.46 1x9l n MET 88 Cb 0.56 -3.37 0.01 0.00 0.00 0.00 0.00 33.22 30.42 1x9l n MET 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 1x9l n VAL 89 N 5.63 2.54 0.29 1.12 3.14 -1.24 -4.88 118.33 124.93 1x9l n VAL 89 Ca 0.51 -0.50 0.18 0.00 -2.96 0.00 0.00 64.34 61.57 1x9l n VAL 89 Cb 0.42 -1.46 0.89 0.00 -1.06 0.00 0.00 33.84 32.63 1x9l n VAL 89 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1x9l h PRO 90 N 1.95 0.00 -1.57 1.45 0.13 -1.92 -3.43 132.00 128.61 1x9l h PRO 90 Ca -0.47 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.03 1x9l h PRO 90 Cb 1.31 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.33 1x9l h PRO 90 CO 0.59 0.00 0.94 1.67 -0.23 0.00 0.00 178.00 180.97 1x9l s TRP 91 N -3.82 -0.00 -0.55 1.56 -2.14 -1.26 -5.01 118.94 107.71 1x9l s TRP 91 Ca -0.02 -0.05 -0.17 0.00 2.66 0.00 0.00 56.10 58.52 1x9l s TRP 91 Cb 0.10 0.53 0.11 0.00 -3.10 0.00 0.00 33.47 31.10 1x9l s TRP 91 CO 0.39 -0.13 0.57 -1.17 -2.66 0.00 0.00 176.95 173.95 1x9l s LEU 92 N -3.39 5.72 -0.09 -4.66 2.96 -0.43 -4.94 118.68 113.85 1x9l s LEU 92 Ca 0.22 -1.53 -0.30 0.00 -0.22 0.00 0.00 54.13 52.30 1x9l s LEU 92 Cb 0.04 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1x9l s LEU 92 CO -0.04 -0.93 1.18 -0.89 -1.32 0.00 0.00 176.35 174.35 1x9l s THR 93 N 2.09 4.36 -0.25 3.68 2.01 -1.26 -0.74 115.64 125.53 1x9l s THR 93 Ca 0.07 1.66 -0.02 0.00 0.31 0.00 0.00 61.69 63.72 1x9l s THR 93 Cb -0.26 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.20 1x9l s THR 93 CO 0.05 -0.04 -0.06 0.27 -0.69 0.00 0.00 174.62 174.15 1x9l s ILE 94 N 2.50 2.86 0.03 1.82 -4.36 -1.26 -4.42 121.20 118.37 1x9l s ILE 94 Ca 0.54 -1.02 -0.00 0.00 -0.26 0.00 0.00 60.65 59.90 1x9l s ILE 94 Cb -0.23 -2.45 0.01 0.00 1.25 0.00 0.00 42.46 41.04 1x9l s ILE 94 CO 0.19 0.20 0.03 -0.81 0.24 0.00 0.00 174.94 174.79 1x9l n PRO 95 N 4.67 -0.22 -1.67 0.37 -0.04 -1.26 -2.57 135.00 134.28 1x9l n PRO 95 Ca -0.16 -0.05 -0.37 0.00 -0.04 0.00 0.00 63.50 62.87 1x9l n PRO 95 Cb 0.47 -0.04 0.06 0.00 -0.04 0.00 0.00 33.50 33.96 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 -3.03 0.66 -1.11 0.55 0.00 -1.22 -0.91 120.51 115.47 1x9l n ALA 96 Ca -0.01 0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1x9l n ALA 96 Cb 0.01 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 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 -1.41 -1.46 -2.13 0.00 3.00 -1.26 -4.87 116.66 108.53 1x9l n ARG 97 Ca 0.15 0.56 -0.30 0.00 -0.01 0.00 0.00 57.85 58.25 1x9l n ARG 97 Cb 0.48 -4.59 -0.05 0.00 0.00 0.00 0.00 32.46 28.29 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 -1.72 0.34 -0.27 -0.13 0.00 -0.08 -4.83 107.32 100.64 1x9l s GLY 98 Ca 0.00 -2.03 0.02 0.00 0.00 0.00 0.00 44.72 42.71 1x9l s GLY 98 CO 0.00 3.43 -0.07 -1.08 0.00 0.00 0.00 173.10 175.38 1x9l s THR 99 N 9.90 1.97 0.10 0.90 -1.32 -1.26 -2.65 115.64 123.28 1x9l s THR 99 Ca 0.67 -1.62 0.01 0.00 -1.21 0.00 0.00 61.69 59.54 1x9l s THR 99 Cb -0.02 -2.19 -0.00 0.00 -1.51 0.00 0.00 72.50 68.78 1x9l s THR 99 CO 0.07 -0.15 0.03 0.00 -2.21 0.00 0.00 174.62 172.37 1x9l n LEU 100 N 4.48 0.00 -3.69 9.08 -0.00 -1.03 -4.95 117.00 120.90 1x9l n LEU 100 Ca -0.11 -0.77 -0.16 0.00 -0.00 0.00 0.00 56.01 54.98 1x9l n LEU 100 Cb 0.43 0.22 -0.15 0.00 -0.00 0.00 0.00 43.42 43.92 1x9l n LEU 100 CO 0.20 -0.12 -0.22 0.28 -0.00 0.00 0.00 177.39 177.53 1x9l s THR 101 N -1.82 -0.22 -0.23 1.47 -1.32 -1.26 -1.23 115.64 111.02 1x9l s THR 101 Ca 0.04 0.31 -0.09 0.00 -1.21 0.00 0.00 61.69 60.74 1x9l s THR 101 Cb 0.00 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.65 1x9l s THR 101 CO 0.03 0.13 0.11 -0.76 -2.21 0.00 0.00 174.62 171.92 1x9l s LEU 102 N 2.03 3.82 0.05 9.08 1.02 -0.08 -4.58 118.68 130.02 1x9l s LEU 102 Ca -0.00 -0.01 -0.12 0.00 0.02 0.00 0.00 54.13 54.02 1x9l s LEU 102 Cb -0.12 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 44.09 1x9l s LEU 102 CO -0.06 0.04 0.26 0.00 0.02 0.00 0.00 176.35 176.61 1x9l s GLN 103 N 1.17 0.78 -0.72 1.70 0.00 0.84 -2.39 119.66 121.03 1x9l s GLN 103 Ca 0.06 -0.59 -0.07 0.00 -0.00 0.00 0.00 55.36 54.76 1x9l s GLN 103 Cb -0.14 0.33 -0.13 0.00 0.00 0.00 0.00 33.01 33.06 1x9l s GLN 103 CO 0.04 -0.24 2.75 -2.13 0.00 0.00 0.00 175.29 175.71 1x9l n ARG 104 N 0.55 2.34 0.12 9.60 0.00 -1.26 -3.28 116.66 124.72 1x9l n ARG 104 Ca -0.18 -1.38 0.00 0.00 -0.00 0.00 0.00 57.85 56.29 1x9l n ARG 104 Cb 0.60 -2.31 0.00 0.00 0.00 0.00 0.00 32.46 30.75 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 3.31 -0.54 0.00 6.15 9.92 -1.26 -4.57 116.55 129.56 1x9l n ASP 105 Ca 0.50 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 55.17 1x9l n ASP 105 Cb 0.42 0.68 0.00 0.00 -0.64 0.00 0.00 41.12 41.58 1x9l n ASP 105 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x9l n GLY 106 N 1.12 0.13 3.78 0.44 0.00 -1.21 -4.82 105.19 104.63 1x9l n GLY 106 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1x9l n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x9l s ASP 107 N -1.63 6.27 0.00 1.61 -1.08 -1.25 -1.47 116.67 119.12 1x9l s ASP 107 Ca 0.00 0.31 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 1x9l s ASP 107 Cb 0.00 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1x9l s ASP 107 CO 0.00 0.25 0.00 0.00 0.52 0.00 0.00 175.17 175.94 1x9l n HIS 108 N 3.03 0.00 -3.85 -5.34 1.44 -0.17 -0.11 115.22 110.21 1x9l n HIS 108 Ca -0.17 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.18 1x9l n HIS 108 Cb 0.53 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.52 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 4.39 -0.82 0.61 1.01 -1.26 -0.58 120.40 121.76 1x9l s VAL 109 Ca 0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 1x9l s VAL 109 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1x9l s VAL 109 CO 0.00 0.37 1.28 -0.04 0.00 0.00 0.00 175.10 176.71 1x9l s MET 110 N 1.30 3.31 -1.54 2.72 -1.94 0.87 -0.80 119.30 123.21 1x9l s MET 110 Ca 0.05 -0.62 -0.11 0.00 -1.71 0.00 0.00 55.69 53.31 1x9l s MET 110 Cb -0.15 -4.54 -0.07 0.00 2.01 0.00 0.00 34.83 32.09 1x9l s MET 110 CO 0.03 -2.11 2.77 1.28 -0.01 0.00 0.00 175.02 176.98 1x9l n LEU 111 N 8.93 8.13 -4.98 -0.03 4.77 -0.74 -0.79 117.00 132.29 1x9l n LEU 111 Ca 0.11 -4.21 -0.25 0.00 -0.03 0.00 0.00 56.01 51.64 1x9l n LEU 111 Cb 0.49 -1.54 0.12 0.00 -2.33 0.00 0.00 43.42 40.16 1x9l n LEU 111 CO 0.68 1.78 0.61 0.00 -1.33 0.00 0.00 177.39 179.12 1x9l s MET 112 N 2.47 1.50 -0.93 3.23 0.23 -1.09 -4.07 119.30 120.64 1x9l s MET 112 Ca 0.64 -1.01 -0.02 0.00 -1.03 0.00 0.00 55.69 54.27 1x9l s MET 112 Cb 0.17 -2.25 0.00 0.00 -1.53 0.00 0.00 34.83 31.22 1x9l s MET 112 CO -0.06 -1.61 0.79 0.41 -2.03 0.00 0.00 175.02 172.51 1x9l n GLY 113 N -2.99 -0.15 3.66 3.16 0.00 -1.26 -0.55 105.19 107.05 1x9l n GLY 113 Ca 0.15 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1x9l n GLY 113 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x9l s LEU 114 N -5.37 4.24 0.00 0.99 1.98 -1.26 -0.27 118.68 118.99 1x9l s LEU 114 Ca 0.15 1.98 0.00 0.00 -2.89 0.00 0.00 54.13 53.36 1x9l s LEU 114 Cb -0.06 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.25 1x9l s LEU 114 CO 0.54 -0.87 0.67 0.29 -1.89 0.00 0.00 176.35 175.08 1x9l n LYS 115 N 6.94 0.00 -3.60 1.98 5.02 0.10 -4.94 118.16 123.67 1x9l n LYS 115 Ca 0.16 0.34 -0.29 0.00 -2.02 0.00 0.00 58.31 56.50 1x9l n LYS 115 Cb 0.44 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 34.17 1x9l n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1x9l s ARG 116 N -2.02 3.58 -0.57 1.97 1.81 -1.26 -5.01 118.95 117.45 1x9l s ARG 116 Ca 0.00 -0.16 -0.27 0.00 -1.72 0.00 0.00 55.73 53.58 1x9l s ARG 116 Cb 0.00 -2.79 -0.03 0.00 -0.45 0.00 0.00 34.95 31.68 1x9l s ARG 116 CO 0.00 0.38 1.97 -1.25 -0.68 0.00 0.00 175.30 175.72 1x9l s PRO 117 N -3.15 2.56 0.62 3.54 0.04 -1.26 -4.97 135.00 132.39 1x9l s PRO 117 Ca 0.41 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.15 1x9l s PRO 117 Cb -0.11 -4.42 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 1x9l s PRO 117 CO 0.28 -2.79 1.04 -0.51 0.04 0.00 0.00 177.00 175.05 1x9l s LEU 118 N 9.59 3.30 -0.00 -3.56 1.43 -1.26 -5.07 118.68 123.10 1x9l s LEU 118 Ca 0.74 1.56 0.06 0.00 -1.03 0.00 0.00 54.13 55.46 1x9l s LEU 118 Cb -0.14 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.56 1x9l s LEU 118 CO 0.23 -1.04 -0.19 -0.54 0.23 0.00 0.00 176.35 175.04 1x9l s LYS 119 N -4.81 2.21 -1.09 1.70 3.01 -1.26 -4.81 119.74 114.68 1x9l s LYS 119 Ca 0.58 -0.88 -0.19 0.00 -1.01 0.00 0.00 55.97 54.46 1x9l s LYS 119 Cb -0.12 -2.21 -0.06 0.00 -1.01 0.00 0.00 37.83 34.42 1x9l s LYS 119 CO 0.48 0.57 2.00 0.28 0.51 0.00 0.00 175.35 179.20 1x9l n VAL 120 N 2.00 2.56 0.00 3.17 0.31 -1.26 -1.00 118.33 124.11 1x9l n VAL 120 Ca -0.16 -2.34 0.00 0.00 -0.01 0.00 0.00 64.34 61.82 1x9l n VAL 120 Cb 0.52 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 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 4.64 0.26 3.62 2.92 0.00 0.16 -4.87 105.19 111.92 1x9l n GLY 121 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -1.30 -0.22 1.61 2.12 -0.17 -4.77 118.70 115.97 1x9l s GLU 122 Ca 0.00 -0.21 -0.11 0.00 0.36 0.00 0.00 54.97 55.01 1x9l s GLU 122 Cb 0.00 -1.60 0.08 0.00 0.26 0.00 0.00 34.13 32.87 1x9l s GLU 122 CO 0.00 -3.74 0.52 0.99 -0.54 0.00 0.00 175.26 172.49 1x9l s THR 123 N -3.12 -0.21 0.08 -1.70 2.01 -1.26 -0.73 115.64 110.70 1x9l s THR 123 Ca 0.72 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.86 1x9l s THR 123 Cb -0.07 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1x9l s THR 123 CO 0.55 0.03 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.64 1x9l s VAL 124 N 1.82 1.45 0.41 3.82 1.01 -0.13 -4.96 120.40 123.81 1x9l s VAL 124 Ca -0.08 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 1x9l s VAL 124 Cb -0.08 -1.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.89 1x9l s VAL 124 CO -0.16 -0.06 1.15 0.20 0.00 0.00 0.00 175.10 176.24 1x9l s ASN 125 N -1.63 6.52 -0.02 3.32 -0.87 -1.26 -0.20 114.94 120.79 1x9l s ASN 125 Ca 0.03 2.29 0.06 0.00 -1.57 0.00 0.00 52.86 53.68 1x9l s ASN 125 Cb -0.09 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.25 38.51 1x9l s ASN 125 CO 0.03 -0.67 -0.22 -0.51 -2.57 0.00 0.00 177.10 173.16 1x9l s ILE 126 N -1.47 1.72 -0.20 0.60 2.07 0.32 -4.35 121.20 119.89 1x9l s ILE 126 Ca 0.58 -0.93 -0.00 0.00 -1.41 0.00 0.00 60.65 58.89 1x9l s ILE 126 Cb -0.29 -1.44 0.01 0.00 0.13 0.00 0.00 42.46 40.88 1x9l s ILE 126 CO 0.36 0.49 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.85 1x9l s THR 127 N -0.45 2.49 0.86 4.00 2.01 0.53 -0.44 115.64 124.65 1x9l s THR 127 Ca 0.07 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 61.11 1x9l s THR 127 Cb -0.09 -2.11 0.16 0.00 0.01 0.00 0.00 72.50 70.47 1x9l s THR 127 CO -0.00 0.46 1.19 -1.48 -0.69 0.00 0.00 174.62 174.09 1x9l s LEU 128 N 1.34 2.80 -0.38 4.42 0.05 -1.03 -0.65 118.68 125.21 1x9l s LEU 128 Ca 0.04 0.11 0.05 0.00 0.05 0.00 0.00 54.13 54.38 1x9l s LEU 128 Cb -0.14 -2.32 0.17 0.00 -2.05 0.00 0.00 46.19 41.85 1x9l s LEU 128 CO -0.09 -2.33 0.50 -0.75 -0.55 0.00 0.00 176.35 173.13 1x9l s LYS 129 N -5.59 0.71 0.37 1.48 2.20 -1.20 -4.24 119.74 113.47 1x9l s LYS 129 Ca 0.70 -0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 55.69 1x9l s LYS 129 Cb -0.05 -0.30 -0.07 0.00 -1.51 0.00 0.00 37.83 35.90 1x9l s LYS 129 CO 0.49 -1.18 0.73 0.00 -0.36 0.00 0.00 175.35 175.03 1x9l s ALA 130 N 1.70 3.37 0.35 3.13 0.00 0.03 -0.50 121.76 129.84 1x9l s ALA 130 Ca 0.16 -0.17 0.14 0.00 0.00 0.00 0.00 51.96 52.10 1x9l s ALA 130 Cb -0.10 -2.68 1.04 0.00 0.00 0.00 0.00 23.12 21.38 1x9l s ALA 130 CO -0.07 0.13 1.70 1.79 0.00 0.00 0.00 175.76 179.31 1x9l h THR 131 N 1.39 0.40 0.00 0.00 1.35 -1.55 0.16 112.91 114.66 1x9l h THR 131 Ca -0.47 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1x9l h THR 131 Cb 1.18 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1x9l h THR 131 CO 0.65 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 1x9l n ASP 132 N -4.92 0.77 -0.19 5.36 5.75 -1.26 -4.76 116.55 117.30 1x9l n ASP 132 Ca 0.30 -1.84 -0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1x9l n ASP 132 Cb 0.91 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1x9l n ASP 132 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x9l n GLY 133 N 0.10 0.52 3.53 6.12 0.00 0.42 -4.97 105.19 110.91 1x9l n GLY 133 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.31 3.39 -0.23 1.61 6.06 -0.30 -4.87 118.95 120.30 1x9l s ARG 134 Ca 0.00 -0.88 -0.10 0.00 -2.50 0.00 0.00 55.73 52.25 1x9l s ARG 134 Cb -0.00 -4.75 -0.05 0.00 0.06 0.00 0.00 34.95 30.21 1x9l s ARG 134 CO 0.00 -2.07 0.13 -0.08 -2.50 0.00 0.00 175.30 170.79 1x9l s THR 135 N 4.76 5.18 0.02 4.11 -1.32 -1.26 -0.79 115.64 126.35 1x9l s THR 135 Ca 0.37 0.12 0.04 0.00 -1.21 0.00 0.00 61.69 61.00 1x9l s THR 135 Cb -0.06 -3.40 -0.02 0.00 -1.51 0.00 0.00 72.50 67.52 1x9l s THR 135 CO 0.01 0.37 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.91 1x9l s LEU 136 N 0.93 2.13 -0.31 9.08 1.02 -1.26 -5.00 118.68 125.27 1x9l s LEU 136 Ca 0.07 -0.37 -0.07 0.00 0.02 0.00 0.00 54.13 53.77 1x9l s LEU 136 Cb -0.13 -0.52 0.01 0.00 0.02 0.00 0.00 46.19 45.58 1x9l s LEU 136 CO 0.03 0.03 0.10 0.21 0.02 0.00 0.00 176.35 176.74 1x9l s ASN 137 N -0.88 5.23 0.17 2.29 2.47 -1.26 -2.48 114.94 120.49 1x9l s ASN 137 Ca 0.01 -0.78 0.11 0.00 0.42 0.00 0.00 52.86 52.62 1x9l s ASN 137 Cb -0.07 -1.90 -0.04 0.00 -1.45 0.00 0.00 41.25 37.79 1x9l s ASN 137 CO 0.01 -0.23 -0.25 -0.69 -3.72 0.00 0.00 177.10 172.23 1x9l s VAL 138 N 1.50 2.30 -0.41 -5.21 1.01 0.42 -4.95 120.40 115.05 1x9l s VAL 138 Ca 0.02 -1.95 -0.22 0.00 0.00 0.00 0.00 61.98 59.83 1x9l s VAL 138 Cb -0.18 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1x9l s VAL 138 CO 0.03 -0.07 0.74 0.00 0.00 0.00 0.00 175.10 175.80 1x9l s ALA 139 N -1.52 3.36 -0.46 5.51 0.00 -1.26 -0.53 121.76 126.87 1x9l s ALA 139 Ca 0.19 -0.90 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 1x9l s ALA 139 Cb -0.08 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.69 1x9l s ALA 139 CO 0.09 -1.69 0.80 0.00 0.00 0.00 0.00 175.76 174.96 1x9l s ALA 140 N 3.09 3.28 -0.18 0.00 0.00 0.72 -4.21 121.76 124.45 1x9l s ALA 140 Ca 0.29 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 1x9l s ALA 140 Cb -0.13 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1x9l s ALA 140 CO 0.19 -1.96 0.57 0.99 0.00 0.00 0.00 175.76 175.55 1x9l s THR 141 N 3.36 5.07 -0.46 0.00 2.01 -0.19 -0.95 115.64 124.47 1x9l s THR 141 Ca 0.30 1.08 -0.19 0.00 0.31 0.00 0.00 61.69 63.19 1x9l s THR 141 Cb -0.12 -3.90 0.04 0.00 0.01 0.00 0.00 72.50 68.53 1x9l s THR 141 CO 0.23 0.16 0.59 -0.69 -0.69 0.00 0.00 174.62 174.22 1x9l s VAL 142 N 1.63 4.90 -0.16 3.82 1.01 0.09 -0.88 120.40 130.80 1x9l s VAL 142 Ca 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1x9l s VAL 142 Cb -0.16 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.07 1x9l s VAL 142 CO 0.10 -0.65 0.05 -0.54 0.00 0.00 0.00 175.10 174.07 1x9l s LYS 143 N 2.61 0.42 -0.07 2.72 -0.14 0.13 0.40 119.74 125.82 1x9l s LYS 143 Ca 0.17 -0.21 -0.30 0.00 -1.36 0.00 0.00 55.97 54.28 1x9l s LYS 143 Cb -0.17 -1.81 -0.04 0.00 -1.68 0.00 0.00 37.83 34.13 1x9l s LYS 143 CO 0.15 -0.60 1.34 -1.59 -0.76 0.00 0.00 175.35 173.89 1x9l s LYS 144 N 1.98 4.27 0.06 1.68 -2.85 -1.26 -4.12 119.74 119.50 1x9l s LYS 144 Ca 0.01 1.83 -0.28 0.00 -1.00 0.00 0.00 55.97 56.53 1x9l s LYS 144 Cb -0.16 -3.68 0.09 0.00 -2.06 0.00 0.00 37.83 32.03 1x9l s LYS 144 CO -0.08 -0.62 1.05 1.21 0.10 0.00 0.00 175.35 177.02 1x9l s ASN 145 N 1.99 -0.17 -1.80 0.03 3.84 -1.26 -4.95 114.94 112.62 1x9l s ASN 145 Ca 0.60 -0.24 -0.18 0.00 0.21 0.00 0.00 52.86 53.25 1x9l s ASN 145 Cb -0.27 0.36 0.18 0.00 -0.55 0.00 0.00 41.25 40.97 1x9l s ASN 145 CO 0.22 -0.65 0.50 2.30 -2.79 0.00 0.00 177.10 176.68 1x9l n ILE 146 N -0.41 -0.34 -3.13 -5.21 -5.35 -1.26 -4.87 119.36 98.80 1x9l n ILE 146 Ca -0.07 -0.11 -0.45 0.00 -0.27 0.00 0.00 62.75 61.86 1x9l n ILE 146 Cb 0.61 -0.74 -0.02 0.00 -1.74 0.00 0.00 39.64 37.76 1x9l n ILE 146 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1x9l s GLU 147 N -7.24 3.77 -0.56 6.28 4.04 -1.26 -4.83 118.70 118.90 1x9l s GLU 147 Ca 0.65 -2.35 -0.28 0.00 0.04 0.00 0.00 54.97 53.04 1x9l s GLU 147 Cb -0.38 -4.72 -0.10 0.00 0.02 0.00 0.00 34.13 28.95 1x9l s GLU 147 CO 1.01 -1.53 2.45 0.41 -1.84 0.00 0.00 175.26 175.76 1x9l n GLY 148 N 4.34 0.12 0.18 -3.83 0.00 -1.26 -5.14 105.19 99.61 1x9l n GLY 148 Ca 0.23 0.77 0.15 0.00 0.00 0.00 0.00 46.02 47.17 1x9l n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86