#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otm s THR 4 N 0.00 1.14 0.19 3.41 -4.23 -1.26 -5.01 115.64 109.89 2otm s THR 4 Ca 0.00 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 2otm s THR 4 Cb 0.00 -2.68 0.10 0.00 1.34 0.00 0.00 72.50 71.26 2otm s THR 4 CO 0.00 -0.08 1.79 -0.65 -0.54 0.00 0.00 174.62 175.14 2otm h PRO 5 N 2.21 0.53 -0.62 3.99 0.11 -1.90 -0.84 132.00 135.48 2otm h PRO 5 Ca -0.40 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.70 2otm h PRO 5 Cb 1.24 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 2otm h PRO 5 CO 0.68 0.35 0.39 0.93 -0.21 0.00 0.00 178.00 180.13 2otm h GLU 6 N 0.54 0.75 -0.01 1.05 3.07 -1.96 0.77 114.58 118.79 2otm h GLU 6 Ca 0.25 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.98 2otm h GLU 6 Cb 0.17 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2otm h GLU 6 CO -0.18 0.50 -0.41 0.66 -1.40 0.00 0.00 179.01 178.18 2otm h SER 7 N 0.77 0.03 0.05 1.42 4.64 -1.88 -1.81 113.55 116.76 2otm h SER 7 Ca 0.24 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.37 2otm h SER 7 Cb -0.02 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2otm h SER 7 CO -0.08 0.44 -0.64 0.03 -0.87 0.00 0.00 176.83 175.70 2otm h ARG 8 N 0.02 0.57 -0.24 4.77 3.08 -0.35 0.15 114.38 122.38 2otm h ARG 8 Ca -0.00 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 59.65 2otm h ARG 8 Cb 0.74 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2otm h ARG 8 CO 0.05 1.03 0.14 -0.07 -1.07 0.00 0.00 179.97 180.05 2otm h LEU 9 N 0.42 0.22 -0.03 3.04 3.38 -0.53 0.30 115.31 122.11 2otm h LEU 9 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2otm h LEU 9 Cb 1.22 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2otm h LEU 9 CO 0.12 0.16 -0.11 0.58 0.09 0.00 0.00 178.44 179.28 2otm h VAL 10 N 0.29 0.71 -0.59 1.22 2.07 -1.19 0.30 116.25 119.06 2otm h VAL 10 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 2otm h VAL 10 Cb -0.00 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2otm h VAL 10 CO -0.05 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.94 2otm h ALA 11 N 0.82 1.96 -0.00 1.67 0.00 -0.68 0.47 119.26 123.49 2otm h ALA 11 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2otm h ALA 11 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2otm h ALA 11 CO -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.02 2otm n ALA 12 N -2.51 2.66 -2.06 0.00 0.00 0.07 -4.90 120.51 113.77 2otm n ALA 12 Ca 0.09 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2otm n ALA 12 Cb 0.33 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 2otm n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otm n GLY 13 N 1.10 0.13 3.54 0.00 0.00 0.16 -5.02 105.19 105.10 2otm n GLY 13 Ca 0.21 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2otm n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otm s LEU 14 N -2.79 3.53 -0.13 0.99 1.43 0.03 -5.02 118.68 116.72 2otm s LEU 14 Ca 0.00 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 2otm s LEU 14 Cb 0.00 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2otm s LEU 14 CO 0.00 0.12 0.08 -0.70 0.23 0.00 0.00 176.35 176.09 2otm s GLU 15 N 0.66 3.45 0.04 1.70 2.56 -1.26 -4.23 118.70 121.62 2otm s GLU 15 Ca 0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 54.97 54.42 2otm s GLU 15 Cb -0.14 -3.09 -0.05 0.00 2.00 0.00 0.00 34.13 32.85 2otm s GLU 15 CO 0.02 0.63 1.21 -0.51 -0.56 0.00 0.00 175.26 176.05 2otm s LEU 16 N -0.63 4.35 0.95 2.70 1.43 -1.26 -5.01 118.68 121.21 2otm s LEU 16 Ca 0.12 1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 55.09 2otm s LEU 16 Cb -0.12 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.69 2otm s LEU 16 CO 0.02 -0.50 1.10 -2.16 0.23 0.00 0.00 176.35 175.04 2otm s PRO 17 N 1.30 0.84 0.42 1.29 0.04 -1.26 -5.00 135.00 132.63 2otm s PRO 17 Ca 0.59 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 2otm s PRO 17 Cb -0.29 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 2otm s PRO 17 CO 0.28 -2.46 1.22 -2.00 0.04 0.00 0.00 177.00 174.08 2otm s GLU 18 N -5.02 3.94 -0.01 4.56 2.56 -1.26 -4.84 118.70 118.63 2otm s GLU 18 Ca 0.64 1.96 -0.30 0.00 0.00 0.00 0.00 54.97 57.27 2otm s GLU 18 Cb -0.18 -2.65 -0.04 0.00 2.00 0.00 0.00 34.13 33.27 2otm s GLU 18 CO 0.57 -0.45 1.14 0.08 -0.56 0.00 0.00 175.26 176.03 2otm s VAL 19 N -1.37 4.35 0.65 3.70 1.01 -1.26 -4.98 120.40 122.50 2otm s VAL 19 Ca 0.59 1.67 -0.13 0.00 0.00 0.00 0.00 61.98 64.10 2otm s VAL 19 Cb -0.33 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 2otm s VAL 19 CO 0.42 0.07 1.07 0.00 0.00 0.00 0.00 175.10 176.66 2otm s ALA 20 N 1.59 2.63 0.46 5.51 0.00 -1.26 -5.04 121.76 125.65 2otm s ALA 20 Ca 0.55 0.30 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 2otm s ALA 20 Cb -0.25 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 2otm s ALA 20 CO 0.25 -1.11 0.98 0.00 0.00 0.00 0.00 175.76 175.88 2otm s ALA 21 N -2.68 2.99 0.49 0.00 0.00 -1.26 -5.03 121.76 116.27 2otm s ALA 21 Ca 0.62 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 2otm s ALA 21 Cb -0.16 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2otm s ALA 21 CO 0.45 -0.06 0.95 0.00 0.00 0.00 0.00 175.76 177.11 2otm n ALA 22 N -0.90 0.08 1.85 0.00 0.00 -1.26 -4.93 120.51 115.36 2otm n ALA 22 Ca 0.08 0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.81 2otm n ALA 22 Cb 0.54 -2.07 0.85 0.00 0.00 0.00 0.00 19.45 18.77 2otm n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2otm n LEU 23 N 0.13 0.28 0.00 0.00 4.77 -1.26 -4.96 117.00 115.97 2otm n LEU 23 Ca 0.11 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2otm n LEU 23 Cb 0.42 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2otm n LEU 23 CO 0.54 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2otm n GLY 24 N 1.06 2.11 2.43 -0.72 0.00 -1.26 -5.06 105.19 103.75 2otm n GLY 24 Ca 0.22 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 2otm n GLY 24 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2otm n ASN 25 N -0.67 7.88 -4.09 1.61 2.85 -1.26 -4.87 115.26 116.72 2otm n ASN 25 Ca 0.00 -3.01 -0.09 0.00 -0.11 0.00 0.00 54.58 51.37 2otm n ASN 25 Cb 0.00 -1.38 -0.09 0.00 1.24 0.00 0.00 39.78 39.54 2otm n ASN 25 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2otm s TYR 26 N -0.51 0.66 0.18 1.20 -0.85 -1.26 -5.15 117.35 111.62 2otm s TYR 26 Ca 0.58 -1.09 -0.18 0.00 -0.52 0.00 0.00 57.07 55.87 2otm s TYR 26 Cb 0.21 -0.38 -0.08 0.00 0.38 0.00 0.00 41.96 42.10 2otm s TYR 26 CO -0.10 -0.51 0.65 -1.21 -1.52 0.00 0.00 175.55 172.86 2otm s GLU 27 N -3.99 4.16 0.54 -3.49 0.41 -1.26 -4.77 118.70 110.30 2otm s GLU 27 Ca 0.17 0.74 0.28 0.00 -0.41 0.00 0.00 54.97 55.75 2otm s GLU 27 Cb 0.07 -2.94 1.53 0.00 -1.78 0.00 0.00 34.13 31.01 2otm s GLU 27 CO -0.03 0.45 2.11 -1.00 -0.49 0.00 0.00 175.26 176.31 2otm h PRO 28 N 3.59 0.00 -3.56 0.39 0.13 -1.98 -3.40 132.00 127.18 2otm h PRO 28 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2otm h PRO 28 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2otm h PRO 28 CO 0.65 0.09 -0.15 1.52 -0.23 0.00 0.00 178.00 179.88 2otm s TYR 29 N -4.30 0.04 0.16 1.56 1.13 -1.26 -0.60 117.35 114.09 2otm s TYR 29 Ca -0.03 -0.40 -0.03 0.00 -1.41 0.00 0.00 57.07 55.20 2otm s TYR 29 Cb 0.14 0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 2otm s TYR 29 CO 0.58 -0.75 0.14 -1.54 -2.51 0.00 0.00 175.55 171.46 2otm s SER 30 N -2.88 0.20 -0.03 -0.18 1.04 -1.26 -4.95 113.70 105.63 2otm s SER 30 Ca 0.09 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.34 2otm s SER 30 Cb 0.02 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.51 2otm s SER 30 CO -0.06 -0.81 -0.05 -0.63 0.98 0.00 0.00 173.24 172.68 2otm s ILE 31 N -4.07 0.52 -0.08 -1.02 1.01 -1.26 -4.33 121.20 111.97 2otm s ILE 31 Ca 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.76 2otm s ILE 31 Cb 0.06 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 42.04 2otm s ILE 31 CO 0.05 0.20 -0.04 0.54 0.00 0.00 0.00 174.94 175.69 2otm s VAL 32 N 0.62 0.69 0.00 2.92 0.11 -0.12 -4.99 120.40 119.63 2otm s VAL 32 Ca -0.08 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 2otm s VAL 32 Cb -0.11 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 2otm s VAL 32 CO 0.00 0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 2otm n GLY 33 N 4.80 3.89 1.52 6.54 0.00 -1.26 -0.99 105.19 119.69 2otm n GLY 33 Ca -0.13 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2otm n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2otm n SER 34 N 7.20 4.55 -4.30 1.61 3.41 -1.26 -4.90 113.62 119.93 2otm n SER 34 Ca 0.00 -2.33 -0.35 0.00 -0.26 0.00 0.00 58.87 55.93 2otm n SER 34 Cb 0.00 -0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 63.26 2otm n SER 34 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2otm s GLN 35 N -1.62 3.29 0.48 4.33 -0.21 -0.16 0.19 119.66 125.95 2otm s GLN 35 Ca 0.50 -0.68 0.07 0.00 0.02 0.00 0.00 55.36 55.27 2otm s GLN 35 Cb 0.31 -3.03 0.01 0.00 1.00 0.00 0.00 33.01 31.30 2otm s GLN 35 CO 0.27 -0.24 0.43 -1.17 -2.12 0.00 0.00 175.29 172.46 2otm s LEU 36 N 1.46 3.12 0.08 2.90 0.20 0.06 -0.94 118.68 125.54 2otm s LEU 36 Ca 0.05 -0.94 0.01 0.00 0.69 0.00 0.00 54.13 53.94 2otm s LEU 36 Cb -0.15 -1.69 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 2otm s LEU 36 CO -0.03 -0.89 -0.06 0.42 -0.29 0.00 0.00 176.35 175.51 2otm s THR 38 N -2.60 0.52 0.27 3.68 -4.23 -0.50 -0.74 115.64 112.04 2otm s THR 38 Ca 0.45 -1.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.15 2otm s THR 38 Cb -0.03 -1.46 0.06 0.00 1.34 0.00 0.00 72.50 72.42 2otm s THR 38 CO 0.27 -0.84 0.37 -1.20 -0.54 0.00 0.00 174.62 172.68 2otm n SER 39 N 0.24 0.05 -4.74 3.99 7.64 0.23 -4.62 113.62 116.40 2otm n SER 39 Ca -0.14 -1.15 -0.41 0.00 1.01 0.00 0.00 58.87 58.18 2otm n SER 39 Cb 0.60 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 2otm n SER 39 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2otm s GLY 40 N -3.79 2.44 -0.05 0.23 0.00 -1.26 -4.67 107.32 100.22 2otm s GLY 40 Ca 0.21 1.15 0.05 0.00 0.00 0.00 0.00 44.72 46.14 2otm s GLY 40 CO 0.15 2.11 -0.18 1.20 0.00 0.00 0.00 173.10 176.38 2otm s GLN 41 N -0.20 2.44 0.26 2.90 -1.52 0.49 -4.91 119.66 119.14 2otm s GLN 41 Ca 0.57 -0.77 0.10 0.00 -1.95 0.00 0.00 55.36 53.30 2otm s GLN 41 Cb -0.38 -2.28 -0.04 0.00 -0.22 0.00 0.00 33.01 30.09 2otm s GLN 41 CO 0.39 0.57 -0.01 -0.06 -0.25 0.00 0.00 175.29 175.94 2otm s PHE 42 N -0.61 2.70 -1.33 0.91 0.40 -1.26 -1.37 117.98 117.42 2otm s PHE 42 Ca 0.09 -0.22 -0.16 0.00 -0.60 0.00 0.00 56.93 56.03 2otm s PHE 42 Cb -0.11 -1.20 0.02 0.00 0.51 0.00 0.00 43.02 42.25 2otm s PHE 42 CO 0.01 0.62 2.04 -0.35 0.70 0.00 0.00 175.22 178.24 2otm n PRO 43 N -0.88 2.76 -3.44 0.24 -0.04 -1.26 -4.22 135.00 128.15 2otm n PRO 43 Ca -0.06 -2.72 -0.38 0.00 -0.04 0.00 0.00 63.50 60.30 2otm n PRO 43 Cb 0.59 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 2otm n PRO 43 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2otm s TYR 44 N 4.05 3.70 -0.05 0.54 2.02 -1.26 -1.30 117.35 125.06 2otm s TYR 44 Ca 0.51 1.00 0.01 0.00 -0.37 0.00 0.00 57.07 58.22 2otm s TYR 44 Cb 0.10 -2.36 0.02 0.00 -0.40 0.00 0.00 41.96 39.33 2otm s TYR 44 CO -0.01 0.55 -0.04 -1.17 -1.57 0.00 0.00 175.55 173.31 2otm s LEU 45 N -0.76 1.28 -1.60 -1.29 2.96 -0.23 -4.81 118.68 114.22 2otm s LEU 45 Ca 0.25 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.90 2otm s LEU 45 Cb -0.17 -0.47 0.10 0.00 0.50 0.00 0.00 46.19 46.15 2otm s LEU 45 CO 0.13 -0.06 0.67 0.00 -1.32 0.00 0.00 176.35 175.77 2otm n GLN 46 N 4.15 -3.31 -0.89 1.98 1.13 -1.26 -0.36 117.38 118.82 2otm n GLN 46 Ca -0.23 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 2otm n GLN 46 Cb 0.51 -4.91 0.00 0.00 0.11 0.00 0.00 30.24 25.94 2otm n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2otm n GLY 47 N -1.63 0.50 3.60 1.08 0.00 -1.26 -5.00 105.19 102.48 2otm n GLY 47 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2otm n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2otm s LYS 48 N -0.52 3.59 -0.40 1.61 2.20 0.51 -5.06 119.74 121.66 2otm s LYS 48 Ca 0.00 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 2otm s LYS 48 Cb 0.00 -2.98 0.01 0.00 -1.51 0.00 0.00 37.83 33.35 2otm s LYS 48 CO 0.00 0.38 1.36 -1.17 -0.36 0.00 0.00 175.35 175.56 2otm s LEU 49 N 0.02 3.64 0.36 5.43 2.96 -1.26 -1.07 118.68 128.75 2otm s LEU 49 Ca 0.03 0.84 0.21 0.00 -0.22 0.00 0.00 54.13 54.99 2otm s LEU 49 Cb -0.13 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.23 2otm s LEU 49 CO 0.02 -1.35 1.46 -0.07 -1.32 0.00 0.00 176.35 175.09 2otm h LEU 50 N 11.85 0.00 -7.47 -0.68 4.07 -1.55 -3.42 115.31 118.11 2otm h LEU 50 Ca -0.27 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.10 2otm h LEU 50 Cb 1.10 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 42.45 2otm h LEU 50 CO 1.08 0.14 -0.77 -0.31 -1.08 0.00 0.00 178.44 177.50 2otm s TYR 51 N -3.16 2.14 -0.27 1.13 1.51 -1.26 -5.08 117.35 112.36 2otm s TYR 51 Ca 0.05 -1.72 0.01 0.00 -1.01 0.00 0.00 57.07 54.40 2otm s TYR 51 Cb 0.06 -1.65 0.08 0.00 -0.11 0.00 0.00 41.96 40.34 2otm s TYR 51 CO 0.71 -0.79 0.00 -0.65 -1.11 0.00 0.00 175.55 173.72 2otm s GLN 52 N 1.47 1.37 0.00 -0.62 -0.21 -1.26 -1.53 119.66 118.88 2otm s GLN 52 Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 55.36 54.22 2otm s GLN 52 Cb -0.18 -2.56 0.00 0.00 1.00 0.00 0.00 33.01 31.26 2otm s GLN 52 CO -0.11 -0.75 0.00 0.41 -2.12 0.00 0.00 175.29 172.72 2otm n GLY 53 N 4.64 0.07 2.99 3.09 0.00 -0.39 -4.89 105.19 110.70 2otm n GLY 53 Ca -0.07 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 2otm n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2otm s GLN 54 N -2.00 1.06 0.18 1.61 0.74 -1.26 -3.84 119.66 116.14 2otm s GLN 54 Ca 0.00 -0.29 -0.31 0.00 0.05 0.00 0.00 55.36 54.80 2otm s GLN 54 Cb 0.00 -0.97 -0.10 0.00 1.10 0.00 0.00 33.01 33.04 2otm s GLN 54 CO 0.00 0.07 1.57 -1.17 -0.55 0.00 0.00 175.29 175.21 2otm s LEU 55 N 0.39 4.37 0.00 3.68 2.96 0.77 -0.43 118.68 130.42 2otm s LEU 55 Ca -0.06 2.64 0.00 0.00 -0.22 0.00 0.00 54.13 56.49 2otm s LEU 55 Cb -0.11 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2otm s LEU 55 CO 0.01 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 174.82 2otm n GLY 56 N 3.64 3.29 0.56 7.98 0.00 0.86 -0.79 105.19 120.73 2otm n GLY 56 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2otm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otm n ALA 57 N -1.23 2.07 -0.07 4.61 0.00 -0.86 -4.83 120.51 120.20 2otm n ALA 57 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 53.44 52.83 2otm n ALA 57 Cb 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 2otm n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2otm n ASP 58 N -3.67 1.63 -4.11 0.00 8.00 0.43 -4.99 116.55 113.84 2otm n ASP 58 Ca -0.25 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.03 2otm n ASP 58 Cb 0.65 0.87 -0.15 0.00 -0.02 0.00 0.00 41.12 42.47 2otm n ASP 58 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2otm s TYR 59 N -2.36 1.22 0.79 1.24 2.02 -1.02 -4.94 117.35 114.31 2otm s TYR 59 Ca -0.07 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.27 2otm s TYR 59 Cb 0.04 -0.78 0.07 0.00 -0.40 0.00 0.00 41.96 40.89 2otm s TYR 59 CO 0.56 -0.01 1.16 0.95 -1.57 0.00 0.00 175.55 176.64 2otm s THR 60 N -0.38 2.25 0.21 -0.71 -4.23 -1.26 -0.10 115.64 111.41 2otm s THR 60 Ca 0.05 0.07 -0.10 0.00 -1.18 0.00 0.00 61.69 60.53 2otm s THR 60 Cb -0.06 -3.08 0.15 0.00 1.34 0.00 0.00 72.50 70.86 2otm s THR 60 CO -0.00 -0.10 1.86 0.58 -0.54 0.00 0.00 174.62 176.42 2otm h VAL 61 N -0.98 1.13 -0.20 2.29 2.07 -1.99 0.28 116.25 118.85 2otm h VAL 61 Ca -0.46 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 2otm h VAL 61 Cb 1.32 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2otm h VAL 61 CO 0.66 0.17 -0.15 0.77 0.02 0.00 0.00 177.57 179.04 2otm h SER 62 N 0.93 0.32 -0.35 0.57 4.64 -1.96 0.43 113.55 118.13 2otm h SER 62 Ca 0.28 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.38 2otm h SER 62 Cb -0.03 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2otm h SER 62 CO -0.09 0.50 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.71 2otm h GLU 63 N 0.32 0.89 -0.59 4.77 5.08 -1.72 -1.60 114.58 121.73 2otm h GLU 63 Ca 0.06 -0.43 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2otm h GLU 63 Cb 0.45 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2otm h GLU 63 CO 0.03 1.08 0.36 0.78 -1.00 0.00 0.00 179.01 180.26 2otm h GLY 64 N 0.86 0.84 0.60 -3.84 0.00 -0.29 0.80 103.07 102.03 2otm h GLY 64 Ca 0.07 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.18 2otm h GLY 64 CO 0.08 0.23 0.07 -1.82 0.00 0.00 0.00 176.54 175.10 2otm h TYR 65 N 0.71 0.12 -0.97 5.60 5.03 -0.80 -0.76 116.97 125.89 2otm h TYR 65 Ca 0.24 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.58 2otm h TYR 65 Cb 0.02 -0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.25 2otm h TYR 65 CO -0.06 0.02 0.64 0.00 -1.32 0.00 0.00 178.16 177.45 2otm h ALA 66 N 1.25 1.23 -0.28 1.82 0.00 -0.89 -0.64 119.26 121.74 2otm h ALA 66 Ca 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2otm h ALA 66 Cb 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2otm h ALA 66 CO -0.21 0.62 0.09 0.00 0.00 0.00 0.00 179.25 179.75 2otm h ALA 67 N 1.35 0.37 -0.37 0.00 0.00 -0.40 -1.03 119.26 119.19 2otm h ALA 67 Ca 0.35 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2otm h ALA 67 Cb -0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2otm h ALA 67 CO -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.05 2otm h ARG 69 N 0.59 0.55 -0.42 0.00 2.43 -0.95 -1.29 114.38 115.29 2otm h ARG 69 Ca 0.10 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 2otm h ARG 69 Cb 0.57 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2otm h ARG 69 CO 0.04 0.40 -0.30 1.25 -1.51 0.00 0.00 179.97 179.84 2otm h LEU 70 N 0.54 1.00 -1.16 3.80 5.85 -0.68 -0.62 115.31 124.04 2otm h LEU 70 Ca 0.15 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2otm h LEU 70 Cb -0.01 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 2otm h LEU 70 CO -0.03 1.22 0.44 0.00 -0.34 0.00 0.00 178.44 179.73 2otm h ALA 71 N 0.81 1.37 -0.25 1.25 0.00 -0.85 -1.34 119.26 120.25 2otm h ALA 71 Ca 0.08 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2otm h ALA 71 Cb 0.89 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2otm h ALA 71 CO 0.08 0.54 -0.46 1.15 0.00 0.00 0.00 179.25 180.56 2otm h THR 72 N 1.03 1.30 -0.93 0.00 2.02 -0.89 -0.55 112.91 114.89 2otm h THR 72 Ca 0.27 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 2otm h THR 72 Cb -0.03 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 2otm h THR 72 CO -0.05 0.53 0.58 0.25 0.37 0.00 0.00 175.52 177.19 2otm h LEU 73 N 0.51 1.10 -0.37 2.58 5.85 -0.71 0.11 115.31 124.38 2otm h LEU 73 Ca 0.03 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2otm h LEU 73 Cb 1.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2otm h LEU 73 CO 0.09 0.83 0.24 0.78 -0.34 0.00 0.00 178.44 180.05 2otm h ASN 74 N 1.28 0.43 -0.77 1.25 2.35 -0.89 -1.40 115.58 117.82 2otm h ASN 74 Ca 0.34 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2otm h ASN 74 Cb -0.08 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 2otm h ASN 74 CO -0.07 0.32 0.50 0.00 -1.65 0.00 0.00 177.43 176.53 2otm h ALA 75 N 1.13 0.98 -0.61 -0.83 0.00 -0.31 -1.61 119.26 118.01 2otm h ALA 75 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2otm h ALA 75 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2otm h ALA 75 CO -0.03 0.42 0.19 0.82 0.00 0.00 0.00 179.25 180.65 2otm h ILE 76 N 1.05 1.23 -0.90 0.00 2.04 -0.63 -0.78 117.51 119.52 2otm h ILE 76 Ca 0.28 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.41 2otm h ILE 76 Cb -0.09 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 2otm h ILE 76 CO -0.06 0.31 0.57 0.00 0.00 0.00 0.00 178.15 178.96 2otm h ALA 77 N 1.31 1.25 -0.52 1.87 0.00 -0.57 0.80 119.26 123.40 2otm h ALA 77 Ca 0.20 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2otm h ALA 77 Cb 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2otm h ALA 77 CO -0.01 0.32 0.01 0.37 0.00 0.00 0.00 179.25 179.94 2otm h GLN 78 N 1.02 0.91 -0.69 0.00 5.75 -0.35 -1.97 115.11 119.79 2otm h GLN 78 Ca 0.40 -0.28 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 2otm h GLN 78 Cb 0.19 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 2otm h GLN 78 CO -0.18 0.93 0.19 -0.07 -2.65 0.00 0.00 178.83 177.04 2otm h LEU 79 N 0.78 1.01 -0.91 -2.39 3.38 -0.30 -1.91 115.31 114.98 2otm h LEU 79 Ca 0.15 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2otm h LEU 79 Cb 0.51 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2otm h LEU 79 CO 0.02 0.96 -0.14 0.50 0.09 0.00 0.00 178.44 179.88 2otm h LYS 80 N 1.03 0.65 -0.50 1.13 1.63 -0.68 -0.15 116.57 119.68 2otm h LYS 80 Ca 0.22 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 2otm h LYS 80 Cb 0.33 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 2otm h LYS 80 CO -0.00 0.76 0.20 0.37 -3.45 0.00 0.00 179.45 177.33 2otm h GLN 81 N 0.59 0.75 -0.38 1.90 4.15 -1.05 0.19 115.11 121.26 2otm h GLN 81 Ca 0.10 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 2otm h GLN 81 Cb 0.58 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2otm h GLN 81 CO 0.04 0.67 -0.37 0.00 -1.93 0.00 0.00 178.83 177.24 2otm h ALA 82 N 1.04 0.55 0.00 3.38 0.00 -1.02 -3.36 119.26 119.86 2otm h ALA 82 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2otm h ALA 82 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2otm h ALA 82 CO -0.01 0.64 -1.91 0.00 0.00 0.00 0.00 179.25 177.98 2otm n GLY 84 N 1.29 1.63 3.03 0.00 0.00 0.66 -4.77 105.19 107.03 2otm n GLY 84 Ca -0.03 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2otm n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otm s GLU 85 N 0.00 2.39 0.58 1.61 0.41 -1.26 -4.92 118.70 117.51 2otm s GLU 85 Ca 0.00 -0.63 0.38 0.00 -0.41 0.00 0.00 54.97 54.31 2otm s GLU 85 Cb 0.00 -2.21 1.82 0.00 -1.78 0.00 0.00 34.13 31.95 2otm s GLU 85 CO 0.00 -0.25 2.13 -0.07 -0.49 0.00 0.00 175.26 176.58 2otm h LEU 86 N 8.03 0.00 -2.64 1.80 3.38 -1.90 -0.26 115.31 123.72 2otm h LEU 86 Ca -0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2otm h LEU 86 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2otm h LEU 86 CO 0.54 0.00 -0.00 0.28 0.09 0.00 0.00 178.44 179.35 2otm h SER 87 N 0.00 0.00 1.16 -0.43 0.02 -1.96 -2.71 113.55 109.62 2otm h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2otm h SER 87 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2otm h SER 87 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 2otm n ARG 88 N -3.14 0.21 -2.34 3.45 1.74 -0.11 -4.69 116.66 111.78 2otm n ARG 88 Ca -0.02 0.27 -0.43 0.00 -0.77 0.00 0.00 57.85 56.90 2otm n ARG 88 Cb 0.12 -1.79 -0.02 0.00 -1.02 0.00 0.00 32.46 29.75 2otm n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2otm s ILE 89 N -3.16 4.09 0.09 0.55 1.01 -1.03 -4.79 121.20 117.97 2otm s ILE 89 Ca 0.09 1.36 -0.14 0.00 0.00 0.00 0.00 60.65 61.96 2otm s ILE 89 Cb 0.12 -3.88 -0.13 0.00 0.01 0.00 0.00 42.46 38.57 2otm s ILE 89 CO 0.51 -0.08 1.33 0.11 0.00 0.00 0.00 174.94 176.81 2otm h LYS 90 N 8.23 0.74 -1.90 2.79 1.57 -1.21 -3.47 116.57 123.32 2otm h LYS 90 Ca -0.31 -0.53 -0.02 0.00 -1.87 0.00 0.00 60.65 57.92 2otm h LYS 90 Cb 1.13 0.09 -0.21 0.00 0.08 0.00 0.00 32.23 33.32 2otm h LYS 90 CO 0.94 1.15 0.25 1.14 -0.57 0.00 0.00 179.45 182.36 2otm s GLN 91 N -3.92 0.87 -0.66 3.15 -2.07 -1.22 -4.72 119.66 111.10 2otm s GLN 91 Ca -0.11 0.50 -0.17 0.00 -1.82 0.00 0.00 55.36 53.75 2otm s GLN 91 Cb 0.08 0.42 0.14 0.00 -1.09 0.00 0.00 33.01 32.56 2otm s GLN 91 CO 0.87 -0.21 0.70 0.42 -1.32 0.00 0.00 175.29 175.75 2otm s ILE 92 N -0.57 5.08 -0.66 3.63 1.01 -0.16 -0.13 121.20 129.39 2otm s ILE 92 Ca -0.05 -1.48 0.25 0.00 0.00 0.00 0.00 60.65 59.37 2otm s ILE 92 Cb -0.02 -4.47 0.11 0.00 0.01 0.00 0.00 42.46 38.09 2otm s ILE 92 CO 0.05 -1.07 1.43 0.00 0.00 0.00 0.00 174.94 175.34 2otm n TYR 93 N 5.59 0.66 -3.72 3.97 0.18 -0.71 -4.04 117.16 119.08 2otm n TYR 93 Ca -0.03 0.19 -0.12 0.00 1.88 0.00 0.00 57.90 59.82 2otm n TYR 93 Cb 0.43 -0.73 -0.10 0.00 -0.38 0.00 0.00 39.34 38.56 2otm n TYR 93 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2otm s ARG 94 N -3.15 0.47 -0.07 -3.48 6.06 -1.20 -1.60 118.95 115.97 2otm s ARG 94 Ca 0.07 0.65 0.05 0.00 -2.50 0.00 0.00 55.73 54.00 2otm s ARG 94 Cb 0.13 0.17 -0.01 0.00 0.06 0.00 0.00 34.95 35.30 2otm s ARG 94 CO 0.69 -0.09 -0.24 -1.17 -2.50 0.00 0.00 175.30 172.00 2otm s LEU 95 N 0.56 2.13 -0.09 -0.88 2.96 -0.62 -1.75 118.68 120.98 2otm s LEU 95 Ca -0.03 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2otm s LEU 95 Cb -0.04 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.27 2otm s LEU 95 CO -0.03 0.22 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.53 2otm s GLU 96 N -0.01 1.41 -0.00 1.98 2.02 -0.06 -4.16 118.70 119.87 2otm s GLU 96 Ca -0.08 -0.23 0.05 0.00 0.02 0.00 0.00 54.97 54.72 2otm s GLU 96 Cb -0.15 -1.43 -0.01 0.00 0.10 0.00 0.00 34.13 32.64 2otm s GLU 96 CO 0.05 -0.20 -0.15 0.20 0.02 0.00 0.00 175.26 175.19 2otm s GLY 97 N 1.48 0.73 -0.08 -1.39 0.00 -1.26 -0.58 107.32 106.21 2otm s GLY 97 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.11 2otm s GLY 97 CO -0.05 -0.56 -0.23 0.14 0.00 0.00 0.00 173.10 172.40 2otm s VAL 98 N -0.40 2.19 0.10 1.40 1.01 -0.07 -1.33 120.40 123.29 2otm s VAL 98 Ca 0.05 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.12 2otm s VAL 98 Cb -0.06 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2otm s VAL 98 CO -0.00 0.56 -0.21 -0.76 0.00 0.00 0.00 175.10 174.69 2otm s LEU 99 N 0.09 2.30 -0.26 3.92 1.43 -0.49 -1.12 118.68 124.55 2otm s LEU 99 Ca -0.11 -0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 2otm s LEU 99 Cb -0.16 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 2otm s LEU 99 CO 0.06 0.06 0.38 0.21 0.23 0.00 0.00 176.35 177.29 2otm s ASN 100 N -1.89 6.29 -0.03 2.29 2.47 -0.76 -1.69 114.94 121.62 2otm s ASN 100 Ca 0.06 0.34 0.02 0.00 0.42 0.00 0.00 52.86 53.70 2otm s ASN 100 Cb -0.10 -2.22 0.01 0.00 -1.45 0.00 0.00 41.25 37.49 2otm s ASN 100 CO 0.04 -0.17 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.49 2otm s VAL 101 N 1.95 0.65 0.44 -5.21 1.01 -1.26 -0.17 120.40 117.81 2otm s VAL 101 Ca 0.16 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 2otm s VAL 101 Cb -0.16 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 2otm s VAL 101 CO 0.09 0.23 1.06 -2.28 0.00 0.00 0.00 175.10 174.20 2otm s HIS 102 N 0.49 3.12 0.46 5.22 2.46 0.03 -4.90 115.29 122.17 2otm s HIS 102 Ca -0.07 1.61 0.23 0.00 0.47 0.00 0.00 55.06 57.30 2otm s HIS 102 Cb -0.11 -3.13 1.24 0.00 -0.13 0.00 0.00 32.58 30.45 2otm s HIS 102 CO 0.01 -0.81 1.85 1.96 -2.47 0.00 0.00 174.74 175.28 2otm h GLN 103 N 2.09 0.24 0.00 2.88 7.50 -1.99 -1.45 115.11 124.38 2otm h GLN 103 Ca -0.49 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.65 2otm h GLN 103 Cb 1.22 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.70 2otm h GLN 103 CO 0.61 0.16 0.00 -1.13 -1.50 0.00 0.00 178.83 176.97 2otm n SER 104 N -4.43 0.00 -4.07 1.46 3.41 -1.26 -4.71 113.62 104.02 2otm n SER 104 Ca 0.20 -0.16 -0.29 0.00 -0.26 0.00 0.00 58.87 58.36 2otm n SER 104 Cb 0.83 -0.19 -0.17 0.00 -0.26 0.00 0.00 64.21 64.42 2otm n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2otm n ILE 106 N 4.18 1.93 -0.40 0.00 -5.35 -1.26 -4.72 119.36 113.74 2otm n ILE 106 Ca -0.19 -2.48 0.02 0.00 -0.27 0.00 0.00 62.75 59.83 2otm n ILE 106 Cb 0.51 -0.22 0.27 0.00 -1.74 0.00 0.00 39.64 38.46 2otm n ILE 106 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2otm n GLU 107 N -1.31 3.54 0.25 6.28 -0.58 -1.26 -4.37 120.64 123.19 2otm n GLU 107 Ca 0.16 -2.26 0.10 0.00 -0.42 0.00 0.00 57.16 54.75 2otm n GLU 107 Cb 0.66 -2.03 0.67 0.00 -0.57 0.00 0.00 31.44 30.17 2otm n GLU 107 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 2otm h HIS 108 N 2.56 0.00 -0.31 -0.32 2.07 -2.00 -0.76 115.15 116.40 2otm h HIS 108 Ca 0.07 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.58 2otm h HIS 108 Cb 1.69 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.65 2otm h HIS 108 CO 0.85 0.14 0.14 -1.35 -3.07 0.00 0.00 177.93 174.63 2otm h PRO 109 N 0.00 0.42 -0.07 5.12 0.11 -2.00 -0.59 132.00 134.98 2otm h PRO 109 Ca -0.00 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 2otm h PRO 109 Cb 0.32 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2otm h PRO 109 CO 0.02 0.34 -0.40 -0.22 -0.21 0.00 0.00 178.00 177.53 2otm h LYS 110 N 0.42 0.16 -0.37 1.05 1.63 -1.48 -2.11 116.57 115.87 2otm h LYS 110 Ca 0.11 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 2otm h LYS 110 Cb 0.07 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2otm h LYS 110 CO -0.01 0.54 -0.00 0.00 -3.45 0.00 0.00 179.45 176.52 2otm h ALA 111 N 1.46 0.50 0.00 5.00 0.00 -1.09 -2.91 119.26 122.22 2otm h ALA 111 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2otm h ALA 111 Cb 0.77 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2otm h ALA 111 CO 0.06 0.27 -0.03 1.25 0.00 0.00 0.00 179.25 180.80 2otm h LEU 112 N 0.47 0.00 -2.57 0.00 5.85 -0.85 -0.50 115.31 117.71 2otm h LEU 112 Ca 0.10 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2otm h LEU 112 Cb 0.47 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2otm h LEU 112 CO 0.02 0.03 0.12 0.44 -0.34 0.00 0.00 178.44 178.71 2otm h ASP 113 N 0.00 0.00 -1.00 1.25 3.32 -1.17 -0.38 116.42 118.43 2otm h ASP 113 Ca -0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2otm h ASP 113 Cb 0.38 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 2otm h ASP 113 CO 0.00 0.00 0.65 1.23 -1.72 0.00 0.00 179.24 179.41 2otm h GLY 114 N 0.00 1.51 0.42 2.75 0.00 -1.20 0.26 103.07 106.80 2otm h GLY 114 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2otm h GLY 114 CO -0.00 0.37 -0.07 0.00 0.00 0.00 0.00 176.54 176.84 2otm h ALA 115 N 1.44 -0.20 -0.67 3.60 0.00 -1.20 -3.05 119.26 119.18 2otm h ALA 115 Ca 0.42 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2otm h ALA 115 Cb 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2otm h ALA 115 CO -0.16 -0.32 0.38 0.77 0.00 0.00 0.00 179.25 179.93 2otm h SER 116 N -0.78 0.58 -0.57 0.00 0.02 -1.25 -2.28 113.55 109.27 2otm h SER 116 Ca -0.02 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2otm h SER 116 Cb 0.53 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2otm h SER 116 CO 0.03 0.38 0.07 0.44 -1.14 0.00 0.00 176.83 176.61 2otm h ASP 117 N 0.71 0.95 -0.38 3.07 3.32 -0.62 -2.47 116.42 121.01 2otm h ASP 117 Ca 0.29 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 2otm h ASP 117 Cb 0.16 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2otm h ASP 117 CO -0.17 0.97 -0.14 0.25 -1.72 0.00 0.00 179.24 178.42 2otm h LEU 118 N 0.93 0.84 -0.71 1.55 5.85 -1.35 -0.31 115.31 122.11 2otm h LEU 118 Ca 0.18 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2otm h LEU 118 Cb 0.44 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2otm h LEU 118 CO 0.01 0.99 0.42 -0.07 -0.34 0.00 0.00 178.44 179.46 2otm h LEU 119 N 0.75 0.85 -0.41 2.25 3.38 -1.09 0.10 115.31 121.15 2otm h LEU 119 Ca 0.12 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2otm h LEU 119 Cb 0.66 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2otm h LEU 119 CO 0.05 0.67 -0.19 -0.07 0.09 0.00 0.00 178.44 178.99 2otm h LEU 120 N 0.97 0.87 -0.92 1.67 3.38 -1.22 -0.26 115.31 119.80 2otm h LEU 120 Ca 0.25 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2otm h LEU 120 Cb -0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2otm h LEU 120 CO -0.05 1.08 0.24 -0.08 0.09 0.00 0.00 178.44 179.72 2otm h GLU 121 N 0.66 1.03 0.09 1.13 4.81 -0.69 -1.02 114.58 120.58 2otm h GLU 121 Ca 0.09 -0.19 -0.37 0.00 -0.13 0.00 0.00 59.36 58.76 2otm h GLU 121 Cb 0.74 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2otm h GLU 121 CO 0.06 0.86 -2.10 -0.89 -0.73 0.00 0.00 179.01 176.21 2otm n ILE 122 N -4.28 1.71 0.94 2.32 2.08 -0.01 -4.42 119.36 117.70 2otm n ILE 122 Ca 0.06 -0.65 0.10 0.00 0.56 0.00 0.00 62.75 62.82 2otm n ILE 122 Cb 0.20 -1.61 -0.05 0.00 -0.75 0.00 0.00 39.64 37.43 2otm n ILE 122 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2otm n PHE 123 N -3.40 0.00 -2.47 1.39 3.72 -0.11 -3.94 117.46 112.65 2otm n PHE 123 Ca -0.34 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 2otm n PHE 123 Cb 1.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 2otm n PHE 123 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2otm n GLY 124 N 1.40 3.32 0.27 1.37 0.00 -0.39 -2.03 105.19 109.13 2otm n GLY 124 Ca 0.07 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2otm n GLY 124 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2otm h GLU 125 N 0.00 0.06 0.00 1.61 4.39 -1.93 0.16 114.58 118.86 2otm h GLU 125 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2otm h GLU 125 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2otm h GLU 125 CO 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 179.01 177.89 2otm n ALA 126 N -2.53 1.72 0.68 3.43 0.00 -0.86 -2.57 120.51 120.38 2otm n ALA 126 Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2otm n ALA 126 Cb 0.09 -1.22 0.16 0.00 0.00 0.00 0.00 19.45 18.48 2otm n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otm n GLY 127 N -0.13 1.33 3.69 0.00 0.00 0.55 -0.99 105.19 109.65 2otm n GLY 127 Ca 0.05 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 2otm n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otm s ARG 128 N -1.76 4.34 0.03 1.61 0.52 -1.06 -4.30 118.95 118.32 2otm s ARG 128 Ca 0.33 1.84 -0.04 0.00 -0.52 0.00 0.00 55.73 57.35 2otm s ARG 128 Cb 0.21 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 2otm s ARG 128 CO 0.31 -0.46 0.06 -3.38 0.02 0.00 0.00 175.30 171.85 2otm s HIS 129 N 1.98 0.21 0.70 -0.53 -3.43 -1.26 -4.52 115.29 108.45 2otm s HIS 129 Ca 0.60 -0.48 -0.08 0.00 -0.80 0.00 0.00 55.06 54.30 2otm s HIS 129 Cb -0.29 -0.16 0.05 0.00 -1.43 0.00 0.00 32.58 30.75 2otm s HIS 129 CO 0.26 -0.30 1.03 -1.54 -2.00 0.00 0.00 174.74 172.19 2otm s SER 130 N -1.87 5.01 0.00 7.38 1.04 -0.63 -4.93 113.70 119.71 2otm s SER 130 Ca -0.09 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2otm s SER 130 Cb -0.04 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.70 2otm s SER 130 CO -0.03 -1.51 0.00 -2.11 0.98 0.00 0.00 173.24 170.57 2otm n ARG 131 N -2.94 0.00 -3.64 4.02 1.85 -1.26 -1.59 116.66 113.10 2otm n ARG 131 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.87 2otm n ARG 131 Cb 0.59 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.93 2otm n ARG 131 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2otm s ILE 133 N -1.46 0.00 0.08 8.89 2.07 -1.26 -4.98 121.20 124.54 2otm s ILE 133 Ca 0.00 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 2otm s ILE 133 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 2otm s ILE 133 CO 0.00 0.00 -0.07 0.26 -1.91 0.00 0.00 174.94 173.22 2otm s TRP 134 N 0.10 0.79 -0.07 3.50 0.51 -0.44 -4.98 118.94 118.35 2otm s TRP 134 Ca 0.06 -0.78 0.03 0.00 -2.12 0.00 0.00 56.10 53.29 2otm s TRP 134 Cb -0.05 -0.47 -0.02 0.00 -0.81 0.00 0.00 33.47 32.12 2otm s TRP 134 CO -0.12 -0.14 -0.16 0.95 -0.51 0.00 0.00 176.95 176.97 2otm s THR 135 N -2.87 2.87 0.02 2.01 -4.23 -1.26 -1.40 115.64 110.78 2otm s THR 135 Ca 0.04 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.83 2otm s THR 135 Cb 0.00 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 2otm s THR 135 CO -0.03 0.57 -0.15 0.20 -0.54 0.00 0.00 174.62 174.66 2otm s ASN 136 N -0.31 1.81 0.41 3.99 0.02 -0.68 -4.94 114.94 115.24 2otm s ASN 136 Ca 0.02 -0.40 0.22 0.00 -1.02 0.00 0.00 52.86 51.68 2otm s ASN 136 Cb -0.13 -0.15 0.72 0.00 0.02 0.00 0.00 41.25 41.71 2otm s ASN 136 CO 0.03 0.10 1.74 1.55 0.02 0.00 0.00 177.10 180.54 2otm h PRO 137 N 5.21 0.00 -4.88 -0.60 0.13 -1.94 -3.37 132.00 126.55 2otm h PRO 137 Ca -0.38 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.36 2otm h PRO 137 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 2otm h PRO 137 CO 0.46 0.27 -0.58 0.08 -0.23 0.00 0.00 178.00 178.00 2otm s VAL 138 N -3.50 0.40 -0.04 1.56 1.01 -1.26 -4.99 120.40 113.58 2otm s VAL 138 Ca 0.01 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 59.86 2otm s VAL 138 Cb 0.10 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2otm s VAL 138 CO 0.66 0.00 0.34 -2.84 0.00 0.00 0.00 175.10 173.27 2otm s PRO 140 N -3.89 3.84 -1.19 2.72 0.02 -1.26 -5.07 135.00 130.17 2otm s PRO 140 Ca 0.36 0.28 0.00 0.00 0.02 0.00 0.00 61.00 61.66 2otm s PRO 140 Cb 0.06 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2otm s PRO 140 CO 0.16 0.67 0.00 1.28 -0.33 0.00 0.00 177.00 178.78 2otm n LEU 141 N 2.00 -0.38 -2.54 -5.54 4.77 -1.26 -1.07 117.00 112.98 2otm n LEU 141 Ca -0.15 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.96 2otm n LEU 141 Cb 0.53 -2.65 -0.00 0.00 -2.33 0.00 0.00 43.42 38.97 2otm n LEU 141 CO 0.36 -1.03 -0.15 -3.20 -1.33 0.00 0.00 177.39 172.04 2otm n ASN 142 N -1.15 -4.24 -4.75 -1.43 5.15 -1.26 -4.92 115.26 102.66 2otm n ASN 142 Ca -0.11 0.10 -0.39 0.00 -0.60 0.00 0.00 54.58 53.58 2otm n ASN 142 Cb 0.59 -3.57 0.03 0.00 -0.53 0.00 0.00 39.78 36.30 2otm n ASN 142 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2otm s SER 143 N -2.12 5.46 0.34 1.20 0.15 -0.23 -1.27 113.70 117.23 2otm s SER 143 Ca 0.05 2.77 0.09 0.00 0.70 0.00 0.00 55.95 59.57 2otm s SER 143 Cb -0.02 -2.64 0.60 0.00 -1.71 0.00 0.00 66.02 62.24 2otm s SER 143 CO 0.06 -1.44 1.78 0.25 1.20 0.00 0.00 173.24 175.09 2otm h LEU 144 N 1.70 0.15 -7.63 3.45 5.85 -1.38 -3.41 115.31 114.03 2otm h LEU 144 Ca -0.51 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.10 2otm h LEU 144 Cb 1.29 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 42.16 2otm h LEU 144 CO 0.58 0.50 -0.12 0.00 -0.34 0.00 0.00 178.44 179.06 2otm s LEU 146 N -2.86 1.19 -0.00 0.00 1.43 -0.28 -4.52 118.68 113.64 2otm s LEU 146 Ca 0.07 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2otm s LEU 146 Cb 0.02 0.41 -0.02 0.00 0.03 0.00 0.00 46.19 46.63 2otm s LEU 146 CO -0.07 -0.09 -0.20 -0.69 0.23 0.00 0.00 176.35 175.53 2otm s VAL 147 N 0.52 1.60 -0.03 -1.59 1.01 -0.47 -0.89 120.40 120.55 2otm s VAL 147 Ca -0.04 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.05 2otm s VAL 147 Cb -0.05 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2otm s VAL 147 CO -0.02 0.41 -0.11 -0.31 0.00 0.00 0.00 175.10 175.06 2otm s TYR 148 N -0.53 1.14 0.09 5.22 1.51 0.25 -0.38 117.35 124.66 2otm s TYR 148 Ca 0.08 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 55.94 2otm s TYR 148 Cb -0.08 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 2otm s TYR 148 CO -0.00 -0.12 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.56 2otm s LEU 149 N 0.15 2.26 -0.08 -1.29 1.43 -1.26 -0.88 118.68 119.01 2otm s LEU 149 Ca -0.03 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 2otm s LEU 149 Cb -0.09 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.97 2otm s LEU 149 CO 0.01 0.19 -0.12 -0.36 0.23 0.00 0.00 176.35 176.30 2otm s PHE 150 N -0.97 1.55 0.02 0.29 0.40 -0.72 -1.40 117.98 117.15 2otm s PHE 150 Ca 0.12 -0.63 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 2otm s PHE 150 Cb -0.10 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 2otm s PHE 150 CO 0.04 -0.35 -0.16 0.00 0.70 0.00 0.00 175.22 175.45 2otm s ALA 151 N 0.89 1.36 -0.15 5.36 0.00 0.08 -1.73 121.76 127.56 2otm s ALA 151 Ca -0.10 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 2otm s ALA 151 Cb -0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2otm s ALA 151 CO 0.01 0.30 0.39 -2.00 0.00 0.00 0.00 175.76 174.45 2otm s GLU 152 N -0.87 4.29 0.00 0.00 2.12 0.81 -0.77 118.70 124.28 2otm s GLU 152 Ca 0.05 0.26 0.15 0.00 0.36 0.00 0.00 54.97 55.79 2otm s GLU 152 Cb -0.07 -3.44 0.12 0.00 0.26 0.00 0.00 34.13 31.00 2otm s GLU 152 CO 0.01 0.18 0.99 1.28 -0.54 0.00 0.00 175.26 177.17