#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ctm h PRO 2 N 0.00 0.32 -0.12 -0.72 0.11 -1.91 -0.69 132.00 128.99 1ctm h PRO 2 Ca 0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 1ctm h PRO 2 Cb 0.00 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1ctm h PRO 2 CO 0.00 0.21 -0.19 0.97 -0.21 0.00 0.00 178.00 178.79 1ctm h ILE 3 N 0.33 1.20 -0.10 4.15 6.09 -1.99 -2.35 117.51 124.84 1ctm h ILE 3 Ca 0.54 -0.90 -0.12 0.00 -1.37 0.00 0.00 64.86 63.01 1ctm h ILE 3 Cb 1.48 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 40.08 1ctm h ILE 3 CO -0.20 0.27 -0.48 -0.26 -3.07 0.00 0.00 178.15 174.41 1ctm h PHE 4 N 0.19 0.31 -0.01 2.19 0.04 -1.55 0.70 116.94 118.81 1ctm h PHE 4 Ca 0.04 -0.10 -0.22 0.00 2.80 0.00 0.00 57.97 60.49 1ctm h PHE 4 Cb 0.45 -0.06 0.02 0.00 2.20 0.00 0.00 35.95 38.55 1ctm h PHE 4 CO 0.01 0.69 -0.84 0.00 -0.60 0.00 0.00 178.31 177.56 1ctm h ALA 5 N 1.30 0.11 -0.20 2.45 0.00 -1.54 -3.09 119.26 118.28 1ctm h ALA 5 Ca 0.01 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1ctm h ALA 5 Cb 0.92 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ctm h ALA 5 CO 0.07 0.54 0.13 1.96 0.00 0.00 0.00 179.25 181.95 1ctm h GLN 6 N 0.18 0.28 -0.10 0.00 4.20 -1.21 0.18 115.11 118.63 1ctm h GLN 6 Ca -0.10 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.61 1ctm h GLN 6 Cb 1.52 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.23 1ctm h GLN 6 CO 0.17 0.22 0.08 1.96 -0.67 0.00 0.00 178.83 180.59 1ctm h GLN 7 N 0.25 0.00 -0.02 1.46 4.20 -0.94 -3.33 115.11 116.73 1ctm h GLN 7 Ca 0.07 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 1ctm h GLN 7 Cb 0.01 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.46 1ctm h GLN 7 CO -0.01 0.00 -0.87 0.27 -0.67 0.00 0.00 178.83 177.55 1ctm n ASN 8 N -4.37 0.56 -3.76 1.46 6.94 -0.82 -4.99 115.26 110.28 1ctm n ASN 8 Ca -0.01 -2.00 -0.18 0.00 -0.02 0.00 0.00 54.58 52.37 1ctm n ASN 8 Cb 0.19 -0.16 -0.17 0.00 -2.36 0.00 0.00 39.78 37.28 1ctm n ASN 8 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1ctm s TYR 9 N -0.20 0.23 0.18 -2.53 2.02 0.56 -5.02 117.35 112.58 1ctm s TYR 9 Ca 0.26 0.07 -0.02 0.00 -0.37 0.00 0.00 57.07 57.02 1ctm s TYR 9 Cb 0.30 -0.44 0.06 0.00 -0.40 0.00 0.00 41.96 41.48 1ctm s TYR 9 CO -0.13 -0.16 1.43 1.05 -1.57 0.00 0.00 175.55 176.18 1ctm h GLU 10 N 7.70 0.42 -4.97 -0.62 4.11 -1.85 -3.41 114.58 115.95 1ctm h GLU 10 Ca -0.33 -0.34 -0.55 0.00 0.07 0.00 0.00 59.36 58.21 1ctm h GLU 10 Cb 1.13 0.07 -0.32 0.00 0.50 0.00 0.00 28.75 30.12 1ctm h GLU 10 CO 0.37 0.97 -0.83 1.21 0.07 0.00 0.00 179.01 180.80 1ctm s ASN 11 N -6.97 2.06 0.26 3.06 3.84 -1.26 -4.96 114.94 110.96 1ctm s ASN 11 Ca -0.06 -0.35 0.26 0.00 0.21 0.00 0.00 52.86 52.92 1ctm s ASN 11 Cb 0.10 -0.76 0.79 0.00 -0.55 0.00 0.00 41.25 40.83 1ctm s ASN 11 CO 0.84 0.10 1.75 1.55 -2.79 0.00 0.00 177.10 178.56 1ctm h PRO 12 N 6.59 0.00 -5.19 0.43 0.13 -1.95 -3.44 132.00 128.56 1ctm h PRO 12 Ca -0.30 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.20 1ctm h PRO 12 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1ctm h PRO 12 CO 0.48 0.00 -0.61 0.50 -0.23 0.00 0.00 178.00 178.14 1ctm s ARG 13 N -3.16 3.80 0.62 0.86 3.52 -1.26 -0.80 118.95 122.53 1ctm s ARG 13 Ca 0.09 -0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 55.22 1ctm s ARG 13 Cb 0.11 -3.16 0.03 0.00 -1.56 0.00 0.00 34.95 30.37 1ctm s ARG 13 CO 0.58 0.13 0.91 -1.21 -0.81 0.00 0.00 175.30 174.90 1ctm s GLU 14 N 0.72 2.56 0.61 5.12 2.02 -0.01 -4.96 118.70 124.76 1ctm s GLU 14 Ca 0.02 -0.28 0.32 0.00 0.02 0.00 0.00 54.97 55.05 1ctm s GLU 14 Cb -0.14 -2.29 1.88 0.00 0.10 0.00 0.00 34.13 33.69 1ctm s GLU 14 CO 0.02 -0.89 2.23 0.00 0.02 0.00 0.00 175.26 176.63 1ctm h ALA 15 N -0.27 1.50 0.00 5.21 0.00 -1.99 0.22 119.26 123.93 1ctm h ALA 15 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ctm h ALA 15 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ctm h ALA 15 CO 0.59 -0.08 0.00 1.79 0.00 0.00 0.00 179.25 181.55 1ctm h THR 16 N 0.00 0.00 0.00 0.00 1.35 -2.04 -3.46 112.91 108.76 1ctm h THR 16 Ca 0.02 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1ctm h THR 16 Cb 0.14 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1ctm h THR 16 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ctm n GLY 17 N 0.60 0.82 3.85 5.82 0.00 0.76 -5.07 105.19 111.98 1ctm n GLY 17 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1ctm n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ctm s ARG 18 N -0.72 3.83 0.08 1.61 0.52 -1.25 -4.78 118.95 118.24 1ctm s ARG 18 Ca 0.00 0.28 -0.20 0.00 -0.52 0.00 0.00 55.73 55.30 1ctm s ARG 18 Cb 0.00 -3.07 -0.07 0.00 0.52 0.00 0.00 34.95 32.33 1ctm s ARG 18 CO 0.00 0.60 0.58 0.42 0.02 0.00 0.00 175.30 176.93 1ctm s ILE 19 N -1.29 4.72 -0.83 1.52 1.01 -1.26 -0.83 121.20 124.24 1ctm s ILE 19 Ca 0.30 1.25 0.04 0.00 0.00 0.00 0.00 60.65 62.24 1ctm s ILE 19 Cb -0.15 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.44 1ctm s ILE 19 CO 0.16 0.55 1.09 1.33 0.00 0.00 0.00 174.94 178.08 1ctm n VAL 20 N 1.74 1.77 0.20 2.92 0.24 0.02 -1.71 118.33 123.51 1ctm n VAL 20 Ca -0.10 0.54 0.04 0.00 -2.04 0.00 0.00 64.34 62.78 1ctm n VAL 20 Cb 0.51 -1.54 0.40 0.00 -1.47 0.00 0.00 33.84 31.73 1ctm n VAL 20 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ctm n ALA 22 N -2.44 1.46 0.12 0.00 0.00 -0.69 -0.49 120.51 118.46 1ctm n ALA 22 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1ctm n ALA 22 Cb 0.39 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.77 1ctm n ALA 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ctm h ASN 23 N 0.00 0.00 0.00 0.00 2.35 -1.67 -3.37 115.58 112.88 1ctm h ASN 23 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ctm h ASN 23 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1ctm h ASN 23 CO 0.00 0.68 -0.96 0.00 -1.65 0.00 0.00 177.43 175.51 1ctm s HIS 25 N -1.93 3.53 -0.43 0.00 3.76 0.36 -1.04 115.29 119.55 1ctm s HIS 25 Ca 0.00 -1.73 0.23 0.00 -0.15 0.00 0.00 55.06 53.41 1ctm s HIS 25 Cb 0.00 -3.92 0.27 0.00 1.11 0.00 0.00 32.58 30.04 1ctm s HIS 25 CO 0.00 -1.11 1.40 -0.07 -0.85 0.00 0.00 174.74 174.11 1ctm h LEU 26 N 8.55 0.00 -9.83 0.89 3.38 -1.84 -3.38 115.31 113.08 1ctm h LEU 26 Ca 0.04 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.42 1ctm h LEU 26 Cb 1.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1ctm h LEU 26 CO 0.87 0.01 -0.14 0.00 0.09 0.00 0.00 178.44 179.27 1ctm s ALA 27 N -3.25 3.63 -0.07 1.53 0.00 -1.26 -4.97 121.76 117.37 1ctm s ALA 27 Ca 0.05 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 1ctm s ALA 27 Cb 0.08 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1ctm s ALA 27 CO 0.71 0.50 0.46 0.45 0.00 0.00 0.00 175.76 177.88 1ctm s SER 28 N -1.73 6.74 -0.20 0.00 0.15 -1.26 -0.16 113.70 117.24 1ctm s SER 28 Ca 0.36 0.88 -0.17 0.00 0.70 0.00 0.00 55.95 57.73 1ctm s SER 28 Cb -0.15 -2.28 0.05 0.00 -1.71 0.00 0.00 66.02 61.94 1ctm s SER 28 CO 0.19 0.11 0.52 -0.54 1.20 0.00 0.00 173.24 174.72 1ctm s LYS 29 N 0.02 0.59 0.42 5.44 1.02 -0.11 -4.72 119.74 122.40 1ctm s LYS 29 Ca 0.25 0.78 -0.26 0.00 0.02 0.00 0.00 55.97 56.77 1ctm s LYS 29 Cb -0.16 0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 1ctm s LYS 29 CO 0.12 -0.09 1.33 -2.14 -0.92 0.00 0.00 175.35 173.65 1ctm s PRO 30 N 0.58 3.89 0.07 -1.68 0.02 -1.26 -2.72 135.00 133.90 1ctm s PRO 30 Ca -0.02 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.28 1ctm s PRO 30 Cb -0.05 -2.72 -0.03 0.00 0.02 0.00 0.00 34.50 31.72 1ctm s PRO 30 CO -0.03 -0.58 -0.17 0.08 -0.33 0.00 0.00 177.00 175.96 1ctm s VAL 31 N -1.25 1.40 0.07 3.83 1.01 -1.26 -4.17 120.40 120.02 1ctm s VAL 31 Ca 0.58 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1ctm s VAL 31 Cb -0.39 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1ctm s VAL 31 CO 0.51 -0.07 -0.11 -0.62 0.00 0.00 0.00 175.10 174.80 1ctm s ASP 32 N -1.63 1.34 -0.09 3.32 2.15 -0.21 -4.66 116.67 116.89 1ctm s ASP 32 Ca 0.03 -0.64 -0.04 0.00 0.43 0.00 0.00 52.55 52.33 1ctm s ASP 32 Cb -0.09 -0.01 0.05 0.00 -0.30 0.00 0.00 42.92 42.57 1ctm s ASP 32 CO 0.03 -0.16 0.18 -0.51 -0.17 0.00 0.00 175.17 174.53 1ctm s ILE 33 N -1.59 -0.28 -0.14 4.11 2.07 -1.26 -0.23 121.20 123.88 1ctm s ILE 33 Ca -0.03 0.33 -0.06 0.00 -1.41 0.00 0.00 60.65 59.48 1ctm s ILE 33 Cb -0.08 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.15 1ctm s ILE 33 CO 0.01 0.14 0.07 -1.61 -1.91 0.00 0.00 174.94 171.63 1ctm s GLU 34 N 2.24 3.55 0.01 3.50 8.01 0.42 -4.92 118.70 131.50 1ctm s GLU 34 Ca 0.02 -0.30 0.00 0.00 0.01 0.00 0.00 54.97 54.70 1ctm s GLU 34 Cb -0.12 -3.09 -0.01 0.00 -4.31 0.00 0.00 34.13 26.60 1ctm s GLU 34 CO -0.06 0.54 -0.02 0.08 0.01 0.00 0.00 175.26 175.81 1ctm s VAL 35 N -0.38 0.08 0.59 2.63 1.01 -1.26 -1.27 120.40 121.80 1ctm s VAL 35 Ca 0.09 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1ctm s VAL 35 Cb -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1ctm s VAL 35 CO 0.02 -0.19 1.17 -0.81 0.00 0.00 0.00 175.10 175.29 1ctm n PRO 36 N 2.48 1.20 -0.32 2.72 -0.04 -1.26 -4.92 135.00 134.86 1ctm n PRO 36 Ca -0.17 0.46 0.03 0.00 -0.04 0.00 0.00 63.50 63.78 1ctm n PRO 36 Cb 0.58 -2.38 0.21 0.00 -0.04 0.00 0.00 33.50 31.87 1ctm n PRO 36 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1ctm h GLN 37 N 0.81 1.08 -3.05 0.54 5.75 -1.96 -3.44 115.11 114.84 1ctm h GLN 37 Ca -0.50 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 57.83 1ctm h GLN 37 Cb 1.34 -0.24 -0.19 0.00 1.07 0.00 0.00 27.48 29.46 1ctm h GLN 37 CO 0.53 0.71 -0.24 0.00 -2.65 0.00 0.00 178.83 177.19 1ctm s ALA 38 N -5.96 -0.82 0.05 3.38 0.00 -1.26 -1.72 121.76 115.43 1ctm s ALA 38 Ca -0.12 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 1ctm s ALA 38 Cb 0.20 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1ctm s ALA 38 CO 0.80 -0.31 -0.02 0.14 0.00 0.00 0.00 175.76 176.37 1ctm s VAL 39 N -1.68 0.20 0.24 0.00 -7.23 -0.13 -4.90 120.40 106.90 1ctm s VAL 39 Ca -0.11 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1ctm s VAL 39 Cb -0.04 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1ctm s VAL 39 CO 0.02 -0.90 0.44 -0.76 -0.31 0.00 0.00 175.10 173.59 1ctm s LEU 40 N -2.68 4.17 0.33 1.32 2.01 -1.26 -0.30 118.68 122.28 1ctm s LEU 40 Ca 0.03 0.45 -0.25 0.00 0.01 0.00 0.00 54.13 54.37 1ctm s LEU 40 Cb 0.05 -3.24 -0.15 0.00 0.01 0.00 0.00 46.19 42.86 1ctm s LEU 40 CO -0.09 -0.10 0.56 -2.65 1.01 0.00 0.00 176.35 175.08 1ctm n PRO 41 N -0.88 0.47 -4.30 1.29 -0.02 -1.26 -3.29 135.00 127.02 1ctm n PRO 41 Ca -0.04 0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.30 1ctm n PRO 41 Cb 0.54 -1.35 -0.09 0.00 -0.02 0.00 0.00 33.50 32.58 1ctm n PRO 41 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ctm n ASP 42 N 1.62 0.73 -4.29 2.55 2.03 -0.71 -4.96 116.55 113.53 1ctm n ASP 42 Ca 0.13 -1.25 -0.23 0.00 0.52 0.00 0.00 54.79 53.95 1ctm n ASP 42 Cb 0.34 -1.72 -0.12 0.00 -0.72 0.00 0.00 41.12 38.90 1ctm n ASP 42 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ctm s THR 43 N -4.31 1.70 0.14 5.18 -4.23 -1.21 -4.91 115.64 108.02 1ctm s THR 43 Ca 0.04 -1.59 -0.18 0.00 -1.18 0.00 0.00 61.69 58.77 1ctm s THR 43 Cb -0.02 -1.58 -0.07 0.00 1.34 0.00 0.00 72.50 72.16 1ctm s THR 43 CO 0.99 -0.11 0.62 -0.69 -0.54 0.00 0.00 174.62 174.89 1ctm s VAL 44 N -1.30 4.70 0.16 2.29 1.01 -1.26 -0.97 120.40 125.03 1ctm s VAL 44 Ca 0.07 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 1ctm s VAL 44 Cb -0.09 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1ctm s VAL 44 CO 0.04 0.38 0.12 0.72 0.00 0.00 0.00 175.10 176.36 1ctm s PHE 45 N -1.32 0.90 0.02 5.22 -0.71 -0.42 -4.97 117.98 116.69 1ctm s PHE 45 Ca 0.35 -1.22 0.05 0.00 -1.04 0.00 0.00 56.93 55.08 1ctm s PHE 45 Cb -0.18 -0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 41.16 1ctm s PHE 45 CO 0.20 -0.60 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.16 1ctm s GLU 46 N -4.08 2.36 -0.19 1.99 2.02 -1.26 -0.79 118.70 118.76 1ctm s GLU 46 Ca 0.28 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.44 1ctm s GLU 46 Cb 0.07 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.93 1ctm s GLU 46 CO 0.05 0.58 -0.14 0.00 0.02 0.00 0.00 175.26 175.77 1ctm s ALA 47 N -0.96 2.52 -0.18 5.21 0.00 -0.28 -4.44 121.76 123.64 1ctm s ALA 47 Ca 0.16 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 1ctm s ALA 47 Cb -0.11 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 1ctm s ALA 47 CO 0.06 -0.30 -0.10 0.54 0.00 0.00 0.00 175.76 175.96 1ctm s VAL 48 N 1.24 3.04 -0.18 0.00 0.11 -0.40 -0.44 120.40 123.77 1ctm s VAL 48 Ca 0.03 -0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 58.39 1ctm s VAL 48 Cb -0.14 -2.33 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 1ctm s VAL 48 CO -0.07 0.48 0.03 -0.69 -3.33 0.00 0.00 175.10 171.52 1ctm s VAL 49 N 1.01 4.48 -0.13 2.04 1.01 -0.43 -0.44 120.40 127.94 1ctm s VAL 49 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1ctm s VAL 49 Cb -0.15 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1ctm s VAL 49 CO -0.01 0.47 -0.16 -0.54 0.00 0.00 0.00 175.10 174.86 1ctm s LYS 50 N 0.41 3.28 -0.64 2.72 1.02 0.67 -1.50 119.74 125.70 1ctm s LYS 50 Ca 0.01 -0.74 0.05 0.00 0.02 0.00 0.00 55.97 55.31 1ctm s LYS 50 Cb -0.13 -2.56 0.19 0.00 -0.52 0.00 0.00 37.83 34.81 1ctm s LYS 50 CO 0.01 0.16 0.53 -0.89 -0.92 0.00 0.00 175.35 174.25 1ctm n ILE 51 N 3.64 1.29 -2.92 2.17 5.41 0.03 -1.04 119.36 127.93 1ctm n ILE 51 Ca -0.18 -4.70 -0.37 0.00 1.00 0.00 0.00 62.75 58.49 1ctm n ILE 51 Cb 0.53 -2.08 -0.06 0.00 -0.71 0.00 0.00 39.64 37.31 1ctm n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ctm s PRO 52 N -1.46 4.47 0.08 0.38 0.04 -1.26 -4.78 135.00 132.47 1ctm s PRO 52 Ca 0.30 1.14 -0.23 0.00 0.04 0.00 0.00 61.00 62.24 1ctm s PRO 52 Cb 0.02 -2.90 0.06 0.00 0.04 0.00 0.00 34.50 31.72 1ctm s PRO 52 CO -0.14 0.37 0.56 1.52 0.04 0.00 0.00 177.00 179.35 1ctm s TYR 53 N -1.51 -0.48 -0.07 0.56 1.13 -1.26 -4.78 117.35 110.94 1ctm s TYR 53 Ca 0.45 0.46 -0.30 0.00 -1.41 0.00 0.00 57.07 56.28 1ctm s TYR 53 Cb -0.19 0.42 -0.05 0.00 -1.10 0.00 0.00 41.96 41.05 1ctm s TYR 53 CO 0.23 -0.72 1.66 0.34 -2.51 0.00 0.00 175.55 174.55 1ctm s ASP 54 N -2.23 6.63 0.00 -0.18 2.15 -1.26 -4.91 116.67 116.87 1ctm s ASP 54 Ca -0.03 2.18 0.15 0.00 0.43 0.00 0.00 52.55 55.28 1ctm s ASP 54 Cb -0.00 -2.53 0.81 0.00 -0.30 0.00 0.00 42.92 40.90 1ctm s ASP 54 CO -0.05 -0.97 1.54 0.23 -0.17 0.00 0.00 175.17 175.75 1ctm n MET 55 N 7.19 1.17 -0.05 4.34 2.81 -1.26 -2.54 117.12 128.78 1ctm n MET 55 Ca 0.18 -0.25 0.12 0.00 -1.81 0.00 0.00 57.70 55.94 1ctm n MET 55 Cb 0.43 -1.26 0.36 0.00 -0.71 0.00 0.00 33.22 32.04 1ctm n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ctm n GLN 56 N -0.48 1.92 -2.43 0.03 10.64 -1.26 -4.92 117.38 120.87 1ctm n GLN 56 Ca 0.12 -1.36 -0.41 0.00 -1.83 0.00 0.00 57.00 53.52 1ctm n GLN 56 Cb 0.11 -1.46 -0.04 0.00 -0.86 0.00 0.00 30.24 28.00 1ctm n GLN 56 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1ctm s LEU 57 N -1.82 4.46 -0.11 2.61 1.43 -1.05 -5.03 118.68 119.17 1ctm s LEU 57 Ca 0.35 2.16 0.03 0.00 -1.03 0.00 0.00 54.13 55.64 1ctm s LEU 57 Cb 0.20 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1ctm s LEU 57 CO 0.31 -0.32 -0.20 -0.54 0.23 0.00 0.00 176.35 175.83 1ctm s LYS 58 N -0.22 2.65 0.46 1.70 1.02 -1.26 -4.61 119.74 119.49 1ctm s LYS 58 Ca 0.52 -0.73 0.07 0.00 0.02 0.00 0.00 55.97 55.84 1ctm s LYS 58 Cb -0.31 -2.11 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 1ctm s LYS 58 CO 0.36 0.05 0.64 1.14 -0.92 0.00 0.00 175.35 176.61 1ctm s GLN 59 N 0.66 2.71 -0.35 1.68 -2.07 0.23 -4.77 119.66 117.74 1ctm s GLN 59 Ca -0.12 -1.19 -0.20 0.00 -1.82 0.00 0.00 55.36 52.02 1ctm s GLN 59 Cb -0.16 -2.69 0.00 0.00 -1.09 0.00 0.00 33.01 29.06 1ctm s GLN 59 CO 0.03 -0.43 0.61 0.08 -1.32 0.00 0.00 175.29 174.26 1ctm s VAL 60 N -2.47 4.92 0.81 3.63 1.01 -1.26 -0.70 120.40 126.34 1ctm s VAL 60 Ca 0.56 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 1ctm s VAL 60 Cb -0.10 -4.05 0.08 0.00 0.00 0.00 0.00 36.38 32.32 1ctm s VAL 60 CO 0.35 -0.28 1.09 -0.76 0.00 0.00 0.00 175.10 175.50 1ctm s LEU 61 N 2.63 2.60 0.06 3.92 1.02 0.56 -4.84 118.68 124.65 1ctm s LEU 61 Ca 0.23 1.46 0.03 0.00 0.02 0.00 0.00 54.13 55.87 1ctm s LEU 61 Cb -0.15 -4.06 0.16 0.00 0.02 0.00 0.00 46.19 42.16 1ctm s LEU 61 CO 0.14 -2.13 0.95 0.00 0.02 0.00 0.00 176.35 175.33 1ctm n ALA 62 N -3.55 0.71 -1.01 4.21 0.00 -1.26 -1.44 120.51 118.16 1ctm n ALA 62 Ca 0.07 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.62 1ctm n ALA 62 Cb 0.55 -0.74 0.11 0.00 0.00 0.00 0.00 19.45 19.37 1ctm n ALA 62 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ctm n ASN 63 N -1.49 2.10 0.00 0.00 0.23 -1.26 -4.97 115.26 109.86 1ctm n ASN 63 Ca -0.00 -2.85 0.00 0.00 -0.53 0.00 0.00 54.58 51.20 1ctm n ASN 63 Cb 0.17 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 1ctm n ASN 63 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ctm n GLY 64 N -1.20 2.78 3.73 4.83 0.00 -0.52 -4.94 105.19 109.88 1ctm n GLY 64 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1ctm n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ctm s LYS 65 N -0.01 1.72 -0.08 1.61 -0.14 -1.26 -4.23 119.74 117.35 1ctm s LYS 65 Ca 0.00 1.12 -0.05 0.00 -1.36 0.00 0.00 55.97 55.68 1ctm s LYS 65 Cb 0.00 -1.84 -0.04 0.00 -1.68 0.00 0.00 37.83 34.27 1ctm s LYS 65 CO 0.00 -2.00 0.12 0.15 -0.76 0.00 0.00 175.35 172.86 1ctm s LYS 66 N -4.86 3.33 0.12 1.68 1.02 -1.26 -0.32 119.74 119.44 1ctm s LYS 66 Ca 0.63 -0.24 -0.03 0.00 0.02 0.00 0.00 55.97 56.34 1ctm s LYS 66 Cb -0.18 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 1ctm s LYS 66 CO 0.57 0.74 0.21 0.41 -0.92 0.00 0.00 175.35 176.35 1ctm n GLY 67 N 1.75 2.13 3.85 -3.33 0.00 0.12 -4.89 105.19 104.82 1ctm n GLY 67 Ca -0.17 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 1ctm n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ctm s ALA 68 N -1.58 2.67 0.32 4.61 0.00 -1.26 -0.60 121.76 125.92 1ctm s ALA 68 Ca 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 1ctm s ALA 68 Cb -0.01 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1ctm s ALA 68 CO 0.05 -1.33 0.56 -0.51 0.00 0.00 0.00 175.76 174.53 1ctm s LEU 69 N -5.51 4.02 0.18 0.00 1.02 -1.26 -4.80 118.68 112.32 1ctm s LEU 69 Ca 0.59 0.64 0.11 0.00 0.02 0.00 0.00 54.13 55.49 1ctm s LEU 69 Cb -0.12 -3.48 -0.04 0.00 0.02 0.00 0.00 46.19 42.56 1ctm s LEU 69 CO 0.53 -0.25 -0.23 0.20 0.02 0.00 0.00 176.35 176.61 1ctm s ASN 70 N -3.50 3.27 0.16 2.29 0.01 -1.26 -1.56 114.94 114.36 1ctm s ASN 70 Ca 0.43 -0.85 0.11 0.00 -0.71 0.00 0.00 52.86 51.84 1ctm s ASN 70 Cb -0.10 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.28 1ctm s ASN 70 CO 0.33 0.10 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.09 1ctm s VAL 71 N -1.64 2.23 0.17 1.60 1.01 0.09 -1.41 120.40 122.45 1ctm s VAL 71 Ca 0.19 -1.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.08 1ctm s VAL 71 Cb -0.08 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.33 1ctm s VAL 71 CO 0.09 -0.06 0.54 -0.83 0.00 0.00 0.00 175.10 174.84 1ctm s GLY 72 N -2.41 -0.36 0.15 4.51 0.00 -0.82 -1.09 107.32 107.30 1ctm s GLY 72 Ca 0.17 0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.84 1ctm s GLY 72 CO 0.08 -0.08 0.44 0.00 0.00 0.00 0.00 173.10 173.54 1ctm s ALA 73 N -3.81 -0.94 -0.09 3.20 0.00 -0.43 -1.37 121.76 118.33 1ctm s ALA 73 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1ctm s ALA 73 Cb -0.01 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.89 1ctm s ALA 73 CO -0.09 -0.70 -0.06 0.54 0.00 0.00 0.00 175.76 175.46 1ctm s VAL 74 N -3.83 0.84 -0.18 0.00 0.11 -0.78 -1.84 120.40 114.72 1ctm s VAL 74 Ca 0.05 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 58.86 1ctm s VAL 74 Cb 0.01 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1ctm s VAL 74 CO -0.09 0.32 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.72 1ctm s LEU 75 N 1.49 2.91 -0.37 2.54 2.96 0.20 -1.26 118.68 127.15 1ctm s LEU 75 Ca -0.00 -0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 1ctm s LEU 75 Cb -0.13 -1.71 0.06 0.00 0.50 0.00 0.00 46.19 44.91 1ctm s LEU 75 CO -0.05 0.07 0.16 -0.63 -1.32 0.00 0.00 176.35 174.58 1ctm s ILE 76 N 0.95 3.74 0.32 6.68 1.01 0.33 -0.94 121.20 133.28 1ctm s ILE 76 Ca -0.01 -1.40 0.05 0.00 0.00 0.00 0.00 60.65 59.28 1ctm s ILE 76 Cb -0.15 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1ctm s ILE 76 CO 0.00 -0.36 0.47 -0.76 0.00 0.00 0.00 174.94 174.29 1ctm s LEU 77 N 1.35 4.05 0.84 2.97 1.43 0.01 -1.66 118.68 127.66 1ctm s LEU 77 Ca 0.01 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1ctm s LEU 77 Cb -0.21 -2.90 0.10 0.00 0.03 0.00 0.00 46.19 43.21 1ctm s LEU 77 CO 0.01 -0.34 1.18 -2.84 0.23 0.00 0.00 176.35 174.59 1ctm s PRO 78 N -4.18 1.48 0.28 1.29 0.02 -1.26 -4.80 135.00 127.84 1ctm s PRO 78 Ca 0.41 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.78 1ctm s PRO 78 Cb -0.09 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 1ctm s PRO 78 CO 0.32 -2.30 1.39 -1.21 -0.33 0.00 0.00 177.00 174.86 1ctm s GLU 79 N -4.36 4.29 0.00 5.54 2.02 -1.26 -2.76 118.70 122.17 1ctm s GLU 79 Ca 0.70 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.97 1ctm s GLU 79 Cb -0.26 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1ctm s GLU 79 CO 0.53 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1ctm n GLY 80 N 1.61 2.64 3.76 -1.39 0.00 -1.26 -4.90 105.19 105.65 1ctm n GLY 80 Ca 0.04 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1ctm n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ctm s PHE 81 N -1.27 3.66 0.24 1.61 0.40 -1.11 -4.30 117.98 117.20 1ctm s PHE 81 Ca 0.00 1.76 -0.14 0.00 -0.60 0.00 0.00 56.93 57.95 1ctm s PHE 81 Cb 0.00 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.40 1ctm s PHE 81 CO 0.00 -0.19 0.50 -1.83 0.70 0.00 0.00 175.22 174.41 1ctm s GLU 82 N -1.62 1.53 0.08 0.44 -1.05 -1.20 -4.02 118.70 112.87 1ctm s GLU 82 Ca 0.46 -1.15 -0.33 0.00 -0.15 0.00 0.00 54.97 53.80 1ctm s GLU 82 Cb -0.27 0.49 -0.12 0.00 -0.44 0.00 0.00 34.13 33.79 1ctm s GLU 82 CO 0.34 -0.64 1.74 -0.11 0.95 0.00 0.00 175.26 177.54 1ctm n LEU 83 N -0.37 3.50 -4.74 1.83 7.94 -1.26 -0.67 117.00 123.22 1ctm n LEU 83 Ca -0.04 1.02 -0.42 0.00 -1.11 0.00 0.00 56.01 55.47 1ctm n LEU 83 Cb 0.62 -1.45 -0.02 0.00 0.53 0.00 0.00 43.42 43.09 1ctm n LEU 83 CO 0.21 -0.07 1.27 0.00 -1.11 0.00 0.00 177.39 177.68 1ctm s ALA 84 N 2.33 3.79 0.62 1.96 0.00 -0.02 -4.70 121.76 125.75 1ctm s ALA 84 Ca 0.83 1.54 -0.17 0.00 0.00 0.00 0.00 51.96 54.16 1ctm s ALA 84 Cb -0.62 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 18.83 1ctm s ALA 84 CO 0.41 -0.93 1.16 -1.25 0.00 0.00 0.00 175.76 175.15 1ctm s PRO 85 N 0.12 2.89 0.26 0.00 0.04 -1.26 -4.89 135.00 132.15 1ctm s PRO 85 Ca 0.67 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 1ctm s PRO 85 Cb -0.47 -1.94 0.53 0.00 0.04 0.00 0.00 34.50 32.65 1ctm s PRO 85 CO 0.42 -1.23 1.74 -1.00 0.04 0.00 0.00 177.00 176.97 1ctm h PRO 86 N 0.51 0.51 0.00 0.56 0.13 -1.95 -1.50 132.00 130.26 1ctm h PRO 86 Ca -0.49 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1ctm h PRO 86 Cb 1.27 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ctm h PRO 86 CO 0.54 0.34 -0.10 0.38 -0.23 0.00 0.00 178.00 178.93 1ctm h ASP 87 N 0.53 0.00 0.19 1.44 2.03 -2.03 -0.84 116.42 117.74 1ctm h ASP 87 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 1ctm h ASP 87 Cb 0.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 1ctm h ASP 87 CO -0.40 0.10 -0.25 0.54 -1.03 0.00 0.00 179.24 178.21 1ctm n ARG 88 N -3.59 0.96 -3.29 4.15 5.12 -0.58 -4.82 116.66 114.61 1ctm n ARG 88 Ca -0.02 -0.59 -0.39 0.00 -1.93 0.00 0.00 57.85 54.93 1ctm n ARG 88 Cb 0.23 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 29.97 1ctm n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1ctm s ILE 89 N -2.45 5.14 0.71 0.55 1.01 -0.32 -4.91 121.20 120.93 1ctm s ILE 89 Ca 0.25 0.88 -0.16 0.00 0.00 0.00 0.00 60.65 61.63 1ctm s ILE 89 Cb 0.19 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1ctm s ILE 89 CO 0.50 0.21 1.22 -0.94 0.00 0.00 0.00 174.94 175.93 1ctm s SER 90 N 1.07 4.29 0.20 3.58 1.04 -1.26 -4.82 113.70 117.80 1ctm s SER 90 Ca 0.23 2.39 -0.07 0.00 0.48 0.00 0.00 55.95 58.98 1ctm s SER 90 Cb -0.15 -2.59 0.14 0.00 0.10 0.00 0.00 66.02 63.51 1ctm s SER 90 CO 0.09 -2.20 1.66 1.55 0.98 0.00 0.00 173.24 175.32 1ctm h PRO 91 N -0.14 0.97 0.00 4.02 0.13 -1.98 -0.19 132.00 134.81 1ctm h PRO 91 Ca -0.48 -0.32 -0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1ctm h PRO 91 Cb 1.30 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ctm h PRO 91 CO 0.50 0.98 -0.00 0.93 -0.23 0.00 0.00 178.00 180.19 1ctm h GLU 92 N 0.88 0.00 0.01 0.86 3.07 -2.01 -1.85 114.58 115.53 1ctm h GLU 92 Ca 0.15 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.65 1ctm h GLU 92 Cb 0.59 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.43 1ctm h GLU 92 CO 0.04 0.00 -2.29 -0.12 -1.40 0.00 0.00 179.01 175.24 1ctm n MET 93 N -3.10 0.68 0.19 2.33 0.00 -1.03 -3.95 117.12 112.23 1ctm n MET 93 Ca -0.02 0.09 0.04 0.00 0.00 0.00 0.00 57.70 57.81 1ctm n MET 93 Cb 0.13 -1.57 0.37 0.00 0.00 0.00 0.00 33.22 32.15 1ctm n MET 93 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1ctm h LYS 94 N 0.00 0.00 0.07 2.12 3.64 -0.22 -0.20 116.57 121.98 1ctm h LYS 94 Ca -0.51 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.63 1ctm h LYS 94 Cb 2.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1ctm h LYS 94 CO 0.01 0.37 -1.09 1.05 -2.27 0.00 0.00 179.45 177.52 1ctm h GLU 95 N 0.00 0.27 -0.49 1.90 4.11 -1.64 -3.26 114.58 115.46 1ctm h GLU 95 Ca -0.00 -0.38 0.03 0.00 0.07 0.00 0.00 59.36 59.07 1ctm h GLU 95 Cb 0.72 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1ctm h GLU 95 CO 0.05 1.13 0.29 0.87 0.07 0.00 0.00 179.01 181.41 1ctm h LYS 96 N 0.11 0.55 -0.21 1.06 1.57 -1.49 -2.12 116.57 116.03 1ctm h LYS 96 Ca -0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ctm h LYS 96 Cb 1.78 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1ctm h LYS 96 CO 0.18 0.37 0.00 0.44 -0.57 0.00 0.00 179.45 179.86 1ctm n ILE 97 N -4.82 0.00 0.00 1.86 -5.35 -0.16 -4.78 119.36 106.11 1ctm n ILE 97 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1ctm n ILE 97 Cb 0.08 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 1ctm n ILE 97 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ctm n GLY 98 N 0.31 1.99 2.70 3.28 0.00 -0.80 -2.62 105.19 110.04 1ctm n GLY 98 Ca 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 1ctm n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ctm n ASN 99 N 8.76 -0.41 -4.80 1.61 6.94 -1.26 -4.79 115.26 121.32 1ctm n ASN 99 Ca 0.00 -2.42 -0.34 0.00 -0.02 0.00 0.00 54.58 51.80 1ctm n ASN 99 Cb 0.00 0.32 -0.03 0.00 -2.36 0.00 0.00 39.78 37.71 1ctm n ASN 99 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ctm s LEU 100 N -3.45 3.81 -0.22 -4.53 1.43 -1.08 -5.04 118.68 109.61 1ctm s LEU 100 Ca 0.21 1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 55.22 1ctm s LEU 100 Cb 0.42 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.07 1ctm s LEU 100 CO -0.06 -0.85 -0.07 -0.94 0.23 0.00 0.00 176.35 174.66 1ctm s SER 101 N -2.04 4.10 -0.00 2.29 1.04 -1.26 -5.08 113.70 112.74 1ctm s SER 101 Ca 0.67 -0.47 -0.20 0.00 0.48 0.00 0.00 55.95 56.44 1ctm s SER 101 Cb -0.17 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.21 1ctm s SER 101 CO 0.22 -0.02 0.57 -0.36 0.98 0.00 0.00 173.24 174.62 1ctm s PHE 102 N 1.44 3.69 0.30 5.02 0.40 -1.26 -4.71 117.98 122.85 1ctm s PHE 102 Ca 0.05 1.17 0.10 0.00 -0.60 0.00 0.00 56.93 57.65 1ctm s PHE 102 Cb -0.14 -2.57 -0.05 0.00 0.51 0.00 0.00 43.02 40.77 1ctm s PHE 102 CO -0.05 0.38 -0.00 -0.65 0.70 0.00 0.00 175.22 175.60 1ctm s GLN 103 N -0.29 2.17 0.35 0.44 -1.52 -0.27 -4.94 119.66 115.60 1ctm s GLN 103 Ca 0.30 -1.57 -0.22 0.00 -1.95 0.00 0.00 55.36 51.92 1ctm s GLN 103 Cb -0.18 -2.05 -0.10 0.00 -0.22 0.00 0.00 33.01 30.46 1ctm s GLN 103 CO 0.17 0.26 0.89 -0.80 -0.25 0.00 0.00 175.29 175.56 1ctm s ASN 104 N -3.69 7.08 0.27 5.90 -0.87 -1.26 -0.84 114.94 121.54 1ctm s ASN 104 Ca 0.33 1.65 -0.02 0.00 -1.57 0.00 0.00 52.86 53.25 1ctm s ASN 104 Cb -0.04 -2.52 0.42 0.00 -0.02 0.00 0.00 41.25 39.09 1ctm s ASN 104 CO 0.19 -0.18 1.89 0.22 -2.57 0.00 0.00 177.10 176.66 1ctm h TYR 105 N 2.63 1.18 -2.44 2.20 3.20 -1.26 -3.44 116.97 119.04 1ctm h TYR 105 Ca -0.48 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.34 1ctm h TYR 105 Cb 1.19 -0.39 -0.21 0.00 1.54 0.00 0.00 36.73 38.86 1ctm h TYR 105 CO 0.62 0.63 -0.03 1.03 -1.64 0.00 0.00 178.16 178.76 1ctm s ARG 106 N -6.02 0.81 0.55 1.82 0.52 -1.26 -4.81 118.95 110.55 1ctm s ARG 106 Ca -0.12 0.29 0.30 0.00 -0.52 0.00 0.00 55.73 55.68 1ctm s ARG 106 Cb 0.20 0.38 1.46 0.00 0.52 0.00 0.00 34.95 37.51 1ctm s ARG 106 CO 0.81 -0.20 1.91 -1.35 0.02 0.00 0.00 175.30 176.49 1ctm h PRO 107 N 4.01 0.00 0.00 3.54 0.11 -1.99 0.20 132.00 137.86 1ctm h PRO 107 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 1ctm h PRO 107 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ctm h PRO 107 CO 0.32 0.00 -0.49 -2.95 -0.21 0.00 0.00 178.00 174.67 1ctm h ASN 108 N 0.00 0.00 -3.17 -2.05 7.08 -1.98 -3.39 115.58 112.07 1ctm h ASN 108 Ca 0.35 0.00 -0.76 0.00 -3.08 0.00 0.00 56.30 52.81 1ctm h ASN 108 Cb 1.48 0.00 -0.23 0.00 -2.08 0.00 0.00 38.32 37.49 1ctm h ASN 108 CO -0.00 0.25 0.52 -0.54 -2.08 0.00 0.00 177.43 175.58 1ctm s LYS 109 N -3.11 3.76 0.06 4.14 -0.14 0.70 -4.82 119.74 120.34 1ctm s LYS 109 Ca 0.04 -2.39 0.26 0.00 -1.36 0.00 0.00 55.97 52.52 1ctm s LYS 109 Cb 0.07 -4.67 1.05 0.00 -1.68 0.00 0.00 37.83 32.60 1ctm s LYS 109 CO 0.73 -1.48 1.82 1.63 -0.76 0.00 0.00 175.35 177.29 1ctm n LYS 110 N 4.72 0.07 -0.67 1.68 5.02 -1.26 -3.68 118.16 124.04 1ctm n LYS 110 Ca 0.21 0.10 0.09 0.00 -2.02 0.00 0.00 58.31 56.69 1ctm n LYS 110 Cb 0.46 -1.59 0.36 0.00 -0.02 0.00 0.00 35.03 34.24 1ctm n LYS 110 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ctm n ASN 111 N -1.71 4.93 -3.83 4.39 6.94 -1.26 -4.26 115.26 120.47 1ctm n ASN 111 Ca 0.06 -2.57 -0.22 0.00 -0.02 0.00 0.00 54.58 51.83 1ctm n ASN 111 Cb 0.33 -0.60 -0.17 0.00 -2.36 0.00 0.00 39.78 36.99 1ctm n ASN 111 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1ctm s ILE 112 N -2.07 0.47 -0.03 1.53 1.01 -1.24 -0.81 121.20 120.06 1ctm s ILE 112 Ca 0.51 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1ctm s ILE 112 Cb 0.35 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 42.23 1ctm s ILE 112 CO 0.22 0.25 -0.24 -0.76 0.00 0.00 0.00 174.94 174.40 1ctm s LEU 113 N 1.47 2.14 0.11 2.97 1.43 -0.12 -1.14 118.68 125.53 1ctm s LEU 113 Ca -0.02 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1ctm s LEU 113 Cb -0.13 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1ctm s LEU 113 CO -0.03 0.32 -0.18 0.68 0.23 0.00 0.00 176.35 177.37 1ctm s VAL 114 N -0.61 1.54 -0.04 -1.59 -7.23 -0.02 -0.63 120.40 111.82 1ctm s VAL 114 Ca 0.10 -1.57 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 1ctm s VAL 114 Cb -0.10 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.38 1ctm s VAL 114 CO -0.01 -0.19 0.34 -0.51 -0.31 0.00 0.00 175.10 174.42 1ctm s ILE 115 N -1.46 0.04 0.00 -0.62 2.07 -0.77 -1.11 121.20 119.36 1ctm s ILE 115 Ca 0.06 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 58.95 1ctm s ILE 115 Cb -0.09 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.89 1ctm s ILE 115 CO 0.04 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.49 1ctm n GLY 116 N 1.60 2.50 3.72 1.50 0.00 -1.26 -1.31 105.19 111.94 1ctm n GLY 116 Ca -0.20 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 1ctm n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ctm s PRO 117 N -2.59 4.30 0.05 1.61 0.04 -1.26 -4.57 135.00 132.58 1ctm s PRO 117 Ca 0.00 2.15 0.06 0.00 0.04 0.00 0.00 61.00 63.24 1ctm s PRO 117 Cb 0.00 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1ctm s PRO 117 CO 0.00 -0.47 -0.16 0.14 0.04 0.00 0.00 177.00 176.55 1ctm s VAL 118 N 1.05 1.28 0.20 -0.36 -7.23 -0.25 -4.94 120.40 110.15 1ctm s VAL 118 Ca 0.65 -1.14 -0.32 0.00 -1.81 0.00 0.00 61.98 59.36 1ctm s VAL 118 Cb -0.39 -1.16 -0.12 0.00 0.56 0.00 0.00 36.38 35.27 1ctm s VAL 118 CO 0.31 0.00 1.72 -0.81 -0.31 0.00 0.00 175.10 176.02 1ctm n PRO 119 N 1.71 2.73 -0.35 4.82 -0.04 -1.26 -0.73 135.00 141.89 1ctm n PRO 119 Ca -0.18 0.98 -0.02 0.00 -0.04 0.00 0.00 63.50 64.24 1ctm n PRO 119 Cb 0.54 -2.83 0.13 0.00 -0.04 0.00 0.00 33.50 31.30 1ctm n PRO 119 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ctm h GLY 120 N 6.88 1.35 0.60 0.55 0.00 -1.60 -0.29 103.07 110.57 1ctm h GLY 120 Ca -0.44 -0.51 0.11 0.00 0.00 0.00 0.00 47.33 46.49 1ctm h GLY 120 CO 0.95 0.50 0.60 1.46 0.00 0.00 0.00 176.54 180.05 1ctm h GLN 121 N 1.30 0.87 0.09 4.80 1.08 -1.92 -2.91 115.11 118.43 1ctm h GLN 121 Ca 0.35 -0.05 -0.27 0.00 -1.45 0.00 0.00 58.65 57.22 1ctm h GLN 121 Cb -0.13 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.09 1ctm h GLN 121 CO -0.07 0.58 -1.43 0.87 -0.95 0.00 0.00 178.83 177.82 1ctm h LYS 122 N 0.90 0.19 -1.16 1.46 1.79 -1.89 -3.42 116.57 114.45 1ctm h LYS 122 Ca 0.45 -0.33 -0.59 0.00 -2.18 0.00 0.00 60.65 57.99 1ctm h LYS 122 Cb 0.48 0.12 -0.40 0.00 -1.58 0.00 0.00 32.23 30.85 1ctm h LYS 122 CO -0.21 1.16 -0.47 0.66 -1.08 0.00 0.00 179.45 179.51 1ctm n TYR 123 N -3.97 3.06 0.24 -1.35 4.01 -0.14 -4.66 117.16 114.35 1ctm n TYR 123 Ca -0.27 -2.64 0.10 0.00 -0.16 0.00 0.00 57.90 54.93 1ctm n TYR 123 Cb 0.87 -0.42 0.63 0.00 -0.31 0.00 0.00 39.34 40.11 1ctm n TYR 123 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1ctm h SER 124 N 2.37 0.00 -3.86 7.72 0.02 -1.77 -3.39 113.55 114.65 1ctm h SER 124 Ca 0.38 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.68 1ctm h SER 124 Cb 1.12 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.34 1ctm h SER 124 CO 0.93 0.17 -0.87 -1.83 -1.14 0.00 0.00 176.83 174.08 1ctm s GLU 125 N -4.22 2.44 0.00 3.45 -1.05 -1.26 -0.79 118.70 117.27 1ctm s GLU 125 Ca -0.03 -0.82 0.08 0.00 -0.15 0.00 0.00 54.97 54.05 1ctm s GLU 125 Cb 0.13 -2.03 -0.02 0.00 -0.44 0.00 0.00 34.13 31.78 1ctm s GLU 125 CO 0.62 0.31 -0.25 0.42 0.95 0.00 0.00 175.26 177.31 1ctm s ILE 126 N -0.01 1.96 -0.24 1.83 1.01 -0.56 -4.97 121.20 120.21 1ctm s ILE 126 Ca -0.07 -1.15 -0.05 0.00 0.00 0.00 0.00 60.65 59.38 1ctm s ILE 126 Cb -0.14 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1ctm s ILE 126 CO 0.04 0.46 -0.00 -0.89 0.00 0.00 0.00 174.94 174.55 1ctm s THR 127 N -0.66 3.60 -0.18 2.92 2.01 -1.26 -1.32 115.64 120.75 1ctm s THR 127 Ca 0.10 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 61.43 1ctm s THR 127 Cb -0.09 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1ctm s THR 127 CO 0.00 0.32 0.31 -0.36 -0.69 0.00 0.00 174.62 174.20 1ctm s PHE 128 N 1.49 3.42 -0.46 4.92 0.40 0.41 -4.79 117.98 123.37 1ctm s PHE 128 Ca 0.05 0.55 -0.24 0.00 -0.60 0.00 0.00 56.93 56.69 1ctm s PHE 128 Cb -0.15 -2.39 0.03 0.00 0.51 0.00 0.00 43.02 41.02 1ctm s PHE 128 CO -0.01 0.14 0.84 -1.25 0.70 0.00 0.00 175.22 175.64 1ctm s PRO 129 N 0.80 3.44 -0.00 0.24 0.05 -1.26 -1.12 135.00 137.14 1ctm s PRO 129 Ca 0.16 -0.03 0.02 0.00 0.05 0.00 0.00 61.00 61.20 1ctm s PRO 129 Cb -0.14 -3.94 -0.04 0.00 0.05 0.00 0.00 34.50 30.43 1ctm s PRO 129 CO 0.05 -1.18 -0.01 0.42 0.05 0.00 0.00 177.00 176.33 1ctm s ILE 130 N 3.50 4.07 -0.24 0.56 -1.09 0.03 -0.84 121.20 127.19 1ctm s ILE 130 Ca 0.32 -0.63 -0.09 0.00 -2.23 0.00 0.00 60.65 58.02 1ctm s ILE 130 Cb -0.11 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1ctm s ILE 130 CO 0.24 0.38 0.13 -0.22 -1.23 0.00 0.00 174.94 174.23 1ctm s LEU 131 N -1.54 3.93 0.23 2.97 2.96 0.15 -1.30 118.68 126.10 1ctm s LEU 131 Ca 0.19 0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 1ctm s LEU 131 Cb -0.11 -2.05 -0.09 0.00 0.50 0.00 0.00 46.19 44.44 1ctm s LEU 131 CO 0.10 0.05 1.13 0.00 -1.32 0.00 0.00 176.35 176.31 1ctm s ALA 132 N 1.11 3.41 1.26 5.97 0.00 -0.15 -3.24 121.76 130.13 1ctm s ALA 132 Ca 0.06 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 52.71 1ctm s ALA 132 Cb -0.14 -3.36 0.31 0.00 0.00 0.00 0.00 23.12 19.94 1ctm s ALA 132 CO 0.04 -0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.41 1ctm s PRO 133 N -0.91 -1.72 -0.12 0.00 0.04 -1.26 -1.74 135.00 129.30 1ctm s PRO 133 Ca 0.48 -0.12 -0.01 0.00 0.04 0.00 0.00 61.00 61.38 1ctm s PRO 133 Cb -0.32 -1.54 0.04 0.00 0.04 0.00 0.00 34.50 32.72 1ctm s PRO 133 CO 0.39 -4.03 -0.02 0.34 0.04 0.00 0.00 177.00 173.73 1ctm s ASP 134 N -3.86 2.18 0.25 6.66 -1.08 -1.26 -2.28 116.67 117.28 1ctm s ASP 134 Ca 0.71 -0.37 -0.03 0.00 -0.52 0.00 0.00 52.55 52.34 1ctm s ASP 134 Cb -0.09 -0.63 0.42 0.00 -1.46 0.00 0.00 42.92 41.16 1ctm s ASP 134 CO 0.56 -0.20 1.83 -0.65 0.52 0.00 0.00 175.17 177.23 1ctm h PRO 135 N 8.25 0.86 0.00 4.34 0.11 -1.78 -1.98 132.00 141.79 1ctm h PRO 135 Ca -0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ctm h PRO 135 Cb 1.12 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ctm h PRO 135 CO 0.33 0.57 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 1ctm h ALA 136 N 1.46 1.00 -0.02 -0.75 0.00 -1.96 -1.44 119.26 117.56 1ctm h ALA 136 Ca 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ctm h ALA 136 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ctm h ALA 136 CO -0.23 0.00 -0.02 2.41 0.00 0.00 0.00 179.25 181.41 1ctm n THR 137 N -2.81 1.92 -3.15 0.00 -1.04 -0.80 -4.93 114.28 103.47 1ctm n THR 137 Ca -0.02 -2.28 0.04 0.00 -2.04 0.00 0.00 64.05 59.76 1ctm n THR 137 Cb 0.11 -0.24 -0.01 0.00 -1.82 0.00 0.00 70.33 68.37 1ctm n THR 137 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1ctm s ASN 138 N -2.84 -1.20 0.05 8.00 3.84 -0.54 -4.91 114.94 117.34 1ctm s ASN 138 Ca 0.33 0.67 0.19 0.00 0.21 0.00 0.00 52.86 54.26 1ctm s ASN 138 Cb 0.29 1.97 0.78 0.00 -0.55 0.00 0.00 41.25 43.74 1ctm s ASN 138 CO 0.03 -0.22 1.59 0.29 -2.79 0.00 0.00 177.10 176.00 1ctm n LYS 139 N 5.43 0.04 0.00 0.43 5.02 -1.26 -2.41 118.16 125.41 1ctm n LYS 139 Ca -0.01 0.24 0.10 0.00 -2.02 0.00 0.00 58.31 56.61 1ctm n LYS 139 Cb 0.52 -1.57 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 1ctm n LYS 139 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ctm n ASP 140 N -1.65 2.48 -4.80 4.39 9.92 -1.26 -4.90 116.55 120.73 1ctm n ASP 140 Ca 0.04 -1.74 -0.36 0.00 -0.53 0.00 0.00 54.79 52.20 1ctm n ASP 140 Cb 0.22 0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 40.75 1ctm n ASP 140 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ctm s VAL 141 N -1.84 5.42 0.34 2.53 1.01 -1.01 -5.08 120.40 121.77 1ctm s VAL 141 Ca 0.22 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.43 1ctm s VAL 141 Cb 0.17 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 1ctm s VAL 141 CO 0.32 0.53 0.06 -1.00 0.00 0.00 0.00 175.10 175.00 1ctm s HIS 142 N -0.31 2.01 -0.47 5.22 3.76 -1.26 -4.46 115.29 119.78 1ctm s HIS 142 Ca 0.11 -0.94 -0.26 0.00 -0.15 0.00 0.00 55.06 53.81 1ctm s HIS 142 Cb -0.12 -1.33 0.03 0.00 1.11 0.00 0.00 32.58 32.27 1ctm s HIS 142 CO 0.01 0.04 0.99 -0.06 -0.85 0.00 0.00 174.74 174.87 1ctm s PHE 143 N -3.23 2.88 0.34 1.40 0.08 -1.26 -4.82 117.98 113.37 1ctm s PHE 143 Ca 0.35 0.45 -0.13 0.00 0.12 0.00 0.00 56.93 57.73 1ctm s PHE 143 Cb 0.08 -4.11 0.03 0.00 -0.57 0.00 0.00 43.02 38.45 1ctm s PHE 143 CO 0.16 -1.17 0.65 -0.51 -0.10 0.00 0.00 175.22 174.25 1ctm s LEU 144 N 3.97 0.27 -0.10 -0.37 1.43 -1.22 -4.97 118.68 117.70 1ctm s LEU 144 Ca 0.40 -1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 1ctm s LEU 144 Cb -0.09 2.31 -0.05 0.00 0.03 0.00 0.00 46.19 48.40 1ctm s LEU 144 CO 0.28 -1.46 0.42 -0.54 0.23 0.00 0.00 176.35 175.28 1ctm s LYS 145 N -3.01 4.23 -0.05 1.70 1.02 -1.26 -1.32 119.74 121.05 1ctm s LYS 145 Ca 0.20 0.35 0.06 0.00 0.02 0.00 0.00 55.97 56.60 1ctm s LYS 145 Cb -0.03 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1ctm s LYS 145 CO 0.13 0.29 -0.23 0.71 -0.92 0.00 0.00 175.35 175.33 1ctm s TYR 146 N 0.22 2.48 0.41 3.18 2.02 -0.19 -4.94 117.35 120.52 1ctm s TYR 146 Ca 0.23 -0.53 -0.23 0.00 -0.37 0.00 0.00 57.07 56.18 1ctm s TYR 146 Cb -0.15 -1.59 -0.10 0.00 -0.40 0.00 0.00 41.96 39.72 1ctm s TYR 146 CO 0.09 -0.09 0.98 -1.25 -1.57 0.00 0.00 175.55 173.71 1ctm s PRO 147 N -0.37 4.24 -0.05 -1.71 0.04 -1.26 -0.83 135.00 135.07 1ctm s PRO 147 Ca 0.03 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1ctm s PRO 147 Cb -0.12 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.05 1ctm s PRO 147 CO 0.02 -0.03 -0.06 0.42 0.04 0.00 0.00 177.00 177.39 1ctm s ILE 148 N -1.91 0.65 -0.03 0.56 1.01 -0.23 -4.11 121.20 117.14 1ctm s ILE 148 Ca 0.59 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 61.12 1ctm s ILE 148 Cb -0.15 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1ctm s ILE 148 CO 0.19 0.25 -0.24 -0.31 0.00 0.00 0.00 174.94 174.83 1ctm s TYR 149 N 0.87 2.24 0.04 3.97 2.02 -0.66 -1.18 117.35 124.65 1ctm s TYR 149 Ca -0.12 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.15 1ctm s TYR 149 Cb -0.15 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1ctm s TYR 149 CO 0.01 -0.08 -0.14 0.54 -1.57 0.00 0.00 175.55 174.31 1ctm s VAL 150 N -0.47 1.10 -0.04 0.71 0.11 -0.51 -0.52 120.40 120.79 1ctm s VAL 150 Ca 0.06 -1.05 0.05 0.00 -2.93 0.00 0.00 61.98 58.11 1ctm s VAL 150 Cb -0.10 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1ctm s VAL 150 CO 0.00 -0.04 -0.21 -0.83 -3.33 0.00 0.00 175.10 170.69 1ctm s GLY 151 N -1.25 1.07 -0.03 6.54 0.00 -0.39 -2.08 107.32 111.18 1ctm s GLY 151 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1ctm s GLY 151 CO 0.01 -0.55 -0.03 -0.32 0.00 0.00 0.00 173.10 172.21 1ctm s GLY 152 N -0.16 0.30 -0.00 0.20 0.00 -0.49 -1.87 107.32 105.30 1ctm s GLY 152 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.74 1ctm s GLY 152 CO 0.02 0.29 -0.14 0.21 0.00 0.00 0.00 173.10 173.47 1ctm s ASN 153 N 0.61 1.70 -0.05 1.64 3.84 -0.47 -1.64 114.94 120.57 1ctm s ASN 153 Ca -0.07 -0.30 0.02 0.00 0.21 0.00 0.00 52.86 52.72 1ctm s ASN 153 Cb -0.10 -0.17 0.02 0.00 -0.55 0.00 0.00 41.25 40.44 1ctm s ASN 153 CO -0.01 0.15 -0.08 0.00 -2.79 0.00 0.00 177.10 174.38 1ctm s ARG 154 N -0.50 1.13 0.00 0.43 3.03 -0.98 -1.94 118.95 120.12 1ctm s ARG 154 Ca 0.05 -0.24 0.00 0.00 2.03 0.00 0.00 55.73 57.57 1ctm s ARG 154 Cb -0.06 -1.02 0.00 0.00 -1.03 0.00 0.00 34.95 32.84 1ctm s ARG 154 CO -0.00 -0.01 0.00 0.41 -1.13 0.00 0.00 175.30 174.57 1ctm n GLY 155 N 3.83 2.43 3.75 3.88 0.00 -0.50 -1.25 105.19 117.34 1ctm n GLY 155 Ca -0.24 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1ctm n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ctm s ARG 156 N -3.05 4.64 0.97 1.61 0.52 -1.26 -4.86 118.95 117.53 1ctm s ARG 156 Ca 0.00 1.75 -0.14 0.00 -0.52 0.00 0.00 55.73 56.82 1ctm s ARG 156 Cb 0.00 -3.23 0.18 0.00 0.52 0.00 0.00 34.95 32.42 1ctm s ARG 156 CO 0.00 0.19 1.17 0.20 0.02 0.00 0.00 175.30 176.87 1ctm s GLY 157 N -0.63 1.61 -0.17 -3.53 0.00 -1.26 -4.92 107.32 98.41 1ctm s GLY 157 Ca 0.46 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.53 1ctm s GLY 157 CO 0.38 -0.07 0.15 -1.06 0.00 0.00 0.00 173.10 172.50 1ctm n GLN 158 N -3.95 0.68 -4.96 2.90 3.00 -0.21 -4.65 117.38 110.19 1ctm n GLN 158 Ca 0.09 0.14 -0.28 0.00 -0.01 0.00 0.00 57.00 56.94 1ctm n GLN 158 Cb 0.59 -1.60 -0.15 0.00 0.00 0.00 0.00 30.24 29.08 1ctm n GLN 158 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1ctm s ILE 159 N -2.53 1.82 0.47 5.09 1.01 -1.21 -0.17 121.20 125.68 1ctm s ILE 159 Ca -0.18 -1.11 -0.00 0.00 0.00 0.00 0.00 60.65 59.36 1ctm s ILE 159 Cb 0.07 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1ctm s ILE 159 CO 0.75 0.40 0.70 -0.31 0.00 0.00 0.00 174.94 176.48 1ctm s TYR 160 N -0.65 3.19 0.66 3.97 2.02 0.46 -4.77 117.35 122.23 1ctm s TYR 160 Ca 0.09 0.24 0.28 0.00 -0.37 0.00 0.00 57.07 57.31 1ctm s TYR 160 Cb -0.09 -2.38 1.53 0.00 -0.40 0.00 0.00 41.96 40.62 1ctm s TYR 160 CO 0.00 -0.44 1.87 -1.00 -1.57 0.00 0.00 175.55 174.41 1ctm h PRO 161 N 0.33 0.00 -0.02 -1.71 0.13 -1.97 -0.52 132.00 128.24 1ctm h PRO 161 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ctm h PRO 161 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ctm h PRO 161 CO 0.57 0.00 -0.00 -0.40 -0.23 0.00 0.00 178.00 177.94 1ctm n ASP 162 N -2.95 2.00 0.00 1.44 5.68 -1.26 -4.94 116.55 116.53 1ctm n ASP 162 Ca -0.01 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1ctm n ASP 162 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1ctm n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ctm n GLY 163 N 1.24 0.16 3.77 6.12 0.00 -0.20 -5.07 105.19 111.21 1ctm n GLY 163 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1ctm n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ctm s SER 164 N -1.96 6.43 0.56 1.61 0.01 -1.26 -4.75 113.70 114.34 1ctm s SER 164 Ca 0.00 2.89 -0.16 0.00 1.31 0.00 0.00 55.95 59.99 1ctm s SER 164 Cb 0.00 -2.66 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 1ctm s SER 164 CO 0.00 -0.79 1.02 -0.54 0.41 0.00 0.00 173.24 173.34 1ctm s LYS 165 N -2.05 3.63 0.56 12.44 1.02 -1.26 -0.40 119.74 133.68 1ctm s LYS 165 Ca 0.53 1.05 0.09 0.00 0.02 0.00 0.00 55.97 57.66 1ctm s LYS 165 Cb -0.43 -2.08 0.09 0.00 -0.52 0.00 0.00 37.83 34.89 1ctm s LYS 165 CO 0.58 -0.55 0.78 -1.13 -0.92 0.00 0.00 175.35 174.11 1ctm n SER 166 N -1.89 2.05 -0.96 2.83 3.41 0.77 -4.81 113.62 115.02 1ctm n SER 166 Ca 0.07 -2.50 -0.00 0.00 -0.26 0.00 0.00 58.87 56.19 1ctm n SER 166 Cb 0.53 -0.41 0.08 0.00 -0.26 0.00 0.00 64.21 64.16 1ctm n SER 166 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ctm n ASN 167 N -2.35 2.42 -2.54 4.04 6.94 -1.26 -4.06 115.26 118.45 1ctm n ASN 167 Ca 0.16 -2.27 -0.29 0.00 -0.02 0.00 0.00 54.58 52.17 1ctm n ASN 167 Cb 0.58 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1ctm n ASN 167 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1ctm n ASN 168 N 0.14 5.04 -3.92 0.53 4.05 -1.26 -4.89 115.26 114.96 1ctm n ASN 168 Ca 0.09 -3.73 -0.08 0.00 0.45 0.00 0.00 54.58 51.30 1ctm n ASN 168 Cb 0.56 -0.53 -0.04 0.00 1.23 0.00 0.00 39.78 41.00 1ctm n ASN 168 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1ctm s THR 169 N -5.48 0.00 0.34 -0.44 -1.32 -1.26 -4.50 115.64 102.98 1ctm s THR 169 Ca 0.48 -1.17 -0.28 0.00 -1.21 0.00 0.00 61.69 59.52 1ctm s THR 169 Cb 0.40 -2.07 -0.09 0.00 -1.51 0.00 0.00 72.50 69.23 1ctm s THR 169 CO -0.22 -0.01 1.17 -0.69 -2.21 0.00 0.00 174.62 172.67 1ctm s VAL 170 N -3.96 3.18 -0.20 5.08 1.01 -1.26 -4.60 120.40 119.65 1ctm s VAL 170 Ca 0.16 1.11 -0.06 0.00 0.00 0.00 0.00 61.98 63.18 1ctm s VAL 170 Cb -0.03 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1ctm s VAL 170 CO 0.07 0.20 0.04 -0.31 0.00 0.00 0.00 175.10 175.11 1ctm s TYR 171 N -1.27 3.14 0.02 5.22 1.51 -1.26 -5.04 117.35 119.67 1ctm s TYR 171 Ca 0.51 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.40 1ctm s TYR 171 Cb -0.33 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.38 1ctm s TYR 171 CO 0.43 -0.06 0.02 -0.80 -1.11 0.00 0.00 175.55 174.03 1ctm s ASN 172 N 0.79 5.25 0.16 2.29 0.01 -1.26 -0.31 114.94 121.87 1ctm s ASN 172 Ca 0.02 0.00 -0.31 0.00 -0.71 0.00 0.00 52.86 51.86 1ctm s ASN 172 Cb -0.14 -1.39 -0.09 0.00 0.41 0.00 0.00 41.25 40.04 1ctm s ASN 172 CO 0.02 0.26 1.47 0.00 -1.51 0.00 0.00 177.10 177.33 1ctm s ALA 173 N -1.16 3.67 -1.49 0.60 0.00 -0.24 -4.84 121.76 118.30 1ctm s ALA 173 Ca 0.22 1.25 0.29 0.00 0.00 0.00 0.00 51.96 53.72 1ctm s ALA 173 Cb -0.12 -3.57 1.29 0.00 0.00 0.00 0.00 23.12 20.72 1ctm s ALA 173 CO 0.13 -0.70 1.91 0.25 0.00 0.00 0.00 175.76 177.35 1ctm n THR 174 N 3.63 0.00 -3.83 0.00 -2.24 -1.26 -0.59 114.28 109.98 1ctm n THR 174 Ca 0.11 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 1ctm n THR 174 Cb 0.40 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 1ctm n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ctm s ALA 175 N -2.57 -0.43 0.77 6.98 0.00 -1.26 -4.83 121.76 120.41 1ctm s ALA 175 Ca 0.27 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 1ctm s ALA 175 Cb 0.20 0.22 0.08 0.00 0.00 0.00 0.00 23.12 23.62 1ctm s ALA 175 CO 0.49 -0.32 1.10 0.20 0.00 0.00 0.00 175.76 177.23 1ctm s GLY 176 N -1.83 1.67 0.00 0.00 0.00 -1.26 -4.10 107.32 101.79 1ctm s GLY 176 Ca -0.08 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1ctm s GLY 176 CO -0.02 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1ctm n GLY 177 N -3.13 0.63 3.22 0.20 0.00 0.02 -4.07 105.19 102.06 1ctm n GLY 177 Ca 0.09 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 1ctm n GLY 177 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ctm s ILE 178 N -3.20 1.74 -0.24 -0.61 2.07 -0.82 -0.45 121.20 119.68 1ctm s ILE 178 Ca 0.00 -0.91 -0.29 0.00 -1.41 0.00 0.00 60.65 58.03 1ctm s ILE 178 Cb 0.00 -1.46 -0.01 0.00 0.13 0.00 0.00 42.46 41.12 1ctm s ILE 178 CO 0.00 0.49 1.30 -0.63 -1.91 0.00 0.00 174.94 174.19 1ctm s ILE 179 N -0.27 4.18 -0.37 2.00 1.01 -0.40 -1.28 121.20 126.06 1ctm s ILE 179 Ca 0.02 1.37 0.23 0.00 0.00 0.00 0.00 60.65 62.26 1ctm s ILE 179 Cb -0.11 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1ctm s ILE 179 CO 0.01 -0.33 1.04 -1.54 0.00 0.00 0.00 174.94 174.12 1ctm n SER 180 N 7.27 0.69 -3.57 3.58 3.41 -0.10 -0.72 113.62 124.18 1ctm n SER 180 Ca 0.15 0.14 -0.16 0.00 -0.26 0.00 0.00 58.87 58.74 1ctm n SER 180 Cb 0.46 0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 64.95 1ctm n SER 180 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ctm s LYS 181 N -3.31 0.96 -0.27 4.33 2.20 -1.21 -4.83 119.74 117.61 1ctm s LYS 181 Ca 0.01 0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1ctm s LYS 181 Cb 0.12 0.46 0.08 0.00 -1.51 0.00 0.00 37.83 36.98 1ctm s LYS 181 CO 0.79 -0.23 0.06 0.42 -0.36 0.00 0.00 175.35 176.02 1ctm s ILE 182 N -0.57 0.96 -0.45 5.43 1.01 -1.26 -1.44 121.20 124.88 1ctm s ILE 182 Ca -0.07 -1.20 -0.21 0.00 0.00 0.00 0.00 60.65 59.17 1ctm s ILE 182 Cb -0.02 -1.57 0.03 0.00 0.01 0.00 0.00 42.46 40.90 1ctm s ILE 182 CO 0.06 -0.46 0.70 -0.22 0.00 0.00 0.00 174.94 175.02 1ctm s LEU 183 N 1.61 4.44 -0.17 2.97 2.96 0.19 -4.93 118.68 125.75 1ctm s LEU 183 Ca 0.05 -0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 1ctm s LEU 183 Cb -0.18 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 1ctm s LEU 183 CO -0.17 -0.85 1.12 -0.13 -1.32 0.00 0.00 176.35 175.00 1ctm s ARG 184 N 3.01 4.29 0.46 1.98 0.52 -1.26 -1.68 118.95 126.26 1ctm s ARG 184 Ca 0.25 1.50 -0.19 0.00 -0.52 0.00 0.00 55.73 56.76 1ctm s ARG 184 Cb -0.14 -3.65 -0.10 0.00 0.52 0.00 0.00 34.95 31.59 1ctm s ARG 184 CO 0.20 -0.58 0.95 0.15 0.02 0.00 0.00 175.30 176.04 1ctm s LYS 185 N 2.97 4.10 0.11 3.54 1.02 0.03 -4.99 119.74 126.51 1ctm s LYS 185 Ca 0.49 1.03 -0.31 0.00 0.02 0.00 0.00 55.97 57.20 1ctm s LYS 185 Cb -0.19 -2.18 -0.12 0.00 -0.52 0.00 0.00 37.83 34.82 1ctm s LYS 185 CO 0.13 -0.12 1.51 1.49 -0.92 0.00 0.00 175.35 177.44 1ctm h GLU 186 N 1.52 -0.55 -0.67 1.68 4.81 -1.94 -1.99 114.58 117.45 1ctm h GLU 186 Ca -0.48 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1ctm h GLU 186 Cb 1.18 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1ctm h GLU 186 CO 0.61 -0.36 0.00 1.17 -0.73 0.00 0.00 179.01 179.70 1ctm n LYS 187 N -5.21 3.10 0.00 1.92 3.00 -1.26 -4.99 118.16 114.71 1ctm n LYS 187 Ca -0.06 -1.90 0.00 0.00 -0.00 0.00 0.00 58.31 56.35 1ctm n LYS 187 Cb 0.36 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.57 1ctm n LYS 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ctm n GLY 188 N 0.62 2.70 0.00 3.14 0.00 -0.75 -4.99 105.19 105.91 1ctm n GLY 188 Ca 0.17 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1ctm n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ctm n GLY 189 N 0.69 0.93 3.18 -0.02 0.00 -1.26 -4.54 105.19 104.17 1ctm n GLY 189 Ca 0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 1ctm n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ctm s TYR 190 N -1.73 0.46 -0.17 1.61 1.51 0.08 -0.79 117.35 118.32 1ctm s TYR 190 Ca 0.00 -0.90 -0.01 0.00 -1.01 0.00 0.00 57.07 55.15 1ctm s TYR 190 Cb 0.00 -0.25 0.05 0.00 -0.11 0.00 0.00 41.96 41.65 1ctm s TYR 190 CO 0.00 -0.52 -0.02 -2.00 -1.11 0.00 0.00 175.55 171.90 1ctm s GLU 191 N -3.94 1.15 -0.23 -0.62 2.12 -0.67 -0.78 118.70 115.73 1ctm s GLU 191 Ca 0.12 -0.45 -0.04 0.00 0.36 0.00 0.00 54.97 54.96 1ctm s GLU 191 Cb 0.06 -1.94 -0.01 0.00 0.26 0.00 0.00 34.13 32.50 1ctm s GLU 191 CO -0.06 -0.48 -0.02 0.42 -0.54 0.00 0.00 175.26 174.58 1ctm s ILE 192 N 1.72 3.51 -0.23 -3.70 1.01 0.19 -0.64 121.20 123.06 1ctm s ILE 192 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 1ctm s ILE 192 Cb -0.16 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1ctm s ILE 192 CO -0.07 0.40 0.41 -0.89 0.00 0.00 0.00 174.94 174.79 1ctm s THR 193 N 1.50 5.17 -0.15 2.92 2.01 -0.52 -0.93 115.64 125.64 1ctm s THR 193 Ca 0.06 0.71 -0.03 0.00 0.31 0.00 0.00 61.69 62.74 1ctm s THR 193 Cb -0.14 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1ctm s THR 193 CO -0.02 0.20 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.41 1ctm s ILE 194 N 1.67 3.59 -0.37 1.82 1.01 -0.11 -0.93 121.20 127.89 1ctm s ILE 194 Ca 0.18 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 1ctm s ILE 194 Cb -0.15 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.78 1ctm s ILE 194 CO 0.09 0.50 0.22 -0.69 0.00 0.00 0.00 174.94 175.05 1ctm s VAL 195 N 0.41 4.77 -0.79 2.92 1.01 -0.40 -1.29 120.40 127.03 1ctm s VAL 195 Ca -0.06 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 1ctm s VAL 195 Cb -0.15 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.70 1ctm s VAL 195 CO 0.04 -0.18 1.15 -0.62 0.00 0.00 0.00 175.10 175.49 1ctm s ASP 196 N 1.60 6.32 0.33 3.32 -1.08 0.54 -1.94 116.67 125.75 1ctm s ASP 196 Ca 0.03 -1.15 0.07 0.00 -0.52 0.00 0.00 52.55 50.98 1ctm s ASP 196 Cb -0.19 -2.47 0.57 0.00 -1.46 0.00 0.00 42.92 39.37 1ctm s ASP 196 CO 0.08 -1.47 1.79 0.00 0.52 0.00 0.00 175.17 176.08 1ctm h ALA 197 N 9.57 1.26 -0.34 3.66 0.00 -1.84 -0.18 119.26 131.40 1ctm h ALA 197 Ca -0.11 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1ctm h ALA 197 Cb 1.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1ctm h ALA 197 CO 1.23 0.49 -0.09 0.77 0.00 0.00 0.00 179.25 181.65 1ctm h SER 198 N 0.27 0.56 -0.27 0.00 0.02 -1.93 -2.88 113.55 109.31 1ctm h SER 198 Ca 0.04 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1ctm h SER 198 Cb 0.60 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1ctm h SER 198 CO 0.04 0.69 0.00 0.59 -1.14 0.00 0.00 176.83 177.01 1ctm n ASN 199 N -4.21 2.96 -3.87 3.07 3.02 -1.06 -4.97 115.26 110.22 1ctm n ASN 199 Ca 0.01 -1.87 -0.32 0.00 -0.03 0.00 0.00 54.58 52.37 1ctm n ASN 199 Cb 0.32 -0.17 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 1ctm n ASN 199 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ctm n GLU 200 N 1.07 -1.70 -4.14 3.52 1.02 -0.17 -4.98 120.64 115.26 1ctm n GLU 200 Ca 0.14 0.36 -0.15 0.00 -0.02 0.00 0.00 57.16 57.48 1ctm n GLU 200 Cb 0.49 -3.95 -0.14 0.00 -0.02 0.00 0.00 31.44 27.82 1ctm n GLU 200 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ctm s ARG 201 N -6.48 0.41 -0.14 3.49 3.52 -0.65 -5.00 118.95 114.09 1ctm s ARG 201 Ca 0.31 -0.21 -0.04 0.00 -0.13 0.00 0.00 55.73 55.65 1ctm s ARG 201 Cb -0.13 -0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 32.85 1ctm s ARG 201 CO 0.90 0.10 -0.00 -1.14 -0.81 0.00 0.00 175.30 174.34 1ctm s GLN 202 N -0.20 3.58 0.08 5.12 0.74 -1.26 -0.34 119.66 127.38 1ctm s GLN 202 Ca 0.01 -0.45 0.06 0.00 0.05 0.00 0.00 55.36 55.03 1ctm s GLN 202 Cb -0.02 -2.96 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 1ctm s GLN 202 CO -0.00 0.36 -0.15 0.14 -0.55 0.00 0.00 175.29 175.09 1ctm s VAL 203 N 0.06 1.21 -0.22 1.34 -7.23 -0.41 -4.98 120.40 110.16 1ctm s VAL 203 Ca 0.02 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1ctm s VAL 203 Cb -0.13 -1.20 0.05 0.00 0.56 0.00 0.00 36.38 35.65 1ctm s VAL 203 CO 0.02 -0.25 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.81 1ctm s ILE 204 N -1.43 1.91 -0.15 -0.62 1.01 -1.26 -0.93 121.20 119.73 1ctm s ILE 204 Ca 0.01 -1.24 -0.17 0.00 0.00 0.00 0.00 60.65 59.25 1ctm s ILE 204 Cb -0.09 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1ctm s ILE 204 CO 0.03 0.15 0.43 -1.81 0.00 0.00 0.00 174.94 173.73 1ctm s ASP 205 N 1.27 6.58 -0.17 3.58 1.01 -0.10 -4.89 116.67 123.94 1ctm s ASP 205 Ca -0.03 0.68 -0.07 0.00 0.71 0.00 0.00 52.55 53.84 1ctm s ASP 205 Cb -0.17 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1ctm s ASP 205 CO -0.08 -0.01 0.08 -0.63 0.21 0.00 0.00 175.17 174.74 1ctm s ILE 206 N 0.82 4.97 -0.13 0.77 1.01 -1.26 -0.63 121.20 126.73 1ctm s ILE 206 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1ctm s ILE 206 Cb -0.15 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1ctm s ILE 206 CO 0.08 0.49 -0.15 -0.63 0.00 0.00 0.00 174.94 174.73 1ctm s ILE 207 N 0.10 2.83 0.79 2.92 1.01 0.04 -4.98 121.20 123.91 1ctm s ILE 207 Ca 0.06 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 1ctm s ILE 207 Cb -0.12 -2.18 0.06 0.00 0.01 0.00 0.00 42.46 40.23 1ctm s ILE 207 CO 0.00 0.53 1.10 -2.16 0.00 0.00 0.00 174.94 174.40 1ctm s PRO 208 N 0.47 2.17 0.52 2.79 0.04 -1.26 -0.74 135.00 138.99 1ctm s PRO 208 Ca -0.11 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 61.38 1ctm s PRO 208 Cb -0.16 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1ctm s PRO 208 CO 0.05 -1.56 1.08 -0.98 0.04 0.00 0.00 177.00 175.63 1ctm s ARG 209 N -5.16 3.56 0.00 4.56 1.70 -1.26 -3.74 118.95 118.61 1ctm s ARG 209 Ca 0.60 1.48 0.00 0.00 -0.47 0.00 0.00 55.73 57.34 1ctm s ARG 209 Cb -0.14 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.19 1ctm s ARG 209 CO 0.54 -0.65 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 1ctm n GLY 210 N -0.07 0.38 3.39 3.88 0.00 -1.26 -4.25 105.19 107.26 1ctm n GLY 210 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1ctm n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ctm s LEU 211 N 0.00 2.39 -0.05 0.99 1.43 -1.25 -4.97 118.68 117.22 1ctm s LEU 211 Ca 0.00 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 1ctm s LEU 211 Cb 0.00 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 1ctm s LEU 211 CO 0.00 0.32 -0.18 -1.83 0.23 0.00 0.00 176.35 174.89 1ctm s GLU 212 N -0.78 2.54 0.39 1.70 -1.05 -1.26 -4.93 118.70 115.30 1ctm s GLU 212 Ca 0.11 -0.77 -0.26 0.00 -0.15 0.00 0.00 54.97 53.90 1ctm s GLU 212 Cb -0.10 -2.31 -0.09 0.00 -0.44 0.00 0.00 34.13 31.19 1ctm s GLU 212 CO 0.00 0.53 1.23 -0.51 0.95 0.00 0.00 175.26 177.46 1ctm s LEU 213 N -0.50 4.23 0.00 1.83 1.43 -1.26 -1.05 118.68 123.36 1ctm s LEU 213 Ca 0.06 2.49 0.20 0.00 -1.03 0.00 0.00 54.13 55.85 1ctm s LEU 213 Cb -0.12 -3.93 0.31 0.00 0.03 0.00 0.00 46.19 42.48 1ctm s LEU 213 CO 0.01 -0.72 1.26 0.18 0.23 0.00 0.00 176.35 177.32 1ctm n LEU 214 N 0.19 3.06 -4.39 1.79 4.77 0.43 -4.79 117.00 118.05 1ctm n LEU 214 Ca 0.04 -1.38 -0.24 0.00 -0.03 0.00 0.00 56.01 54.39 1ctm n LEU 214 Cb 0.45 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 1ctm n LEU 214 CO 0.53 0.64 -0.50 0.68 -1.33 0.00 0.00 177.39 177.41 1ctm s VAL 215 N -1.41 2.12 0.16 4.08 -7.23 -1.26 -5.01 120.40 111.85 1ctm s VAL 215 Ca 0.30 -2.06 0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1ctm s VAL 215 Cb 0.19 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1ctm s VAL 215 CO 0.26 -0.27 -0.23 -0.44 -0.31 0.00 0.00 175.10 174.12 1ctm s SER 216 N -2.84 3.55 0.45 4.85 0.01 -1.26 -5.09 113.70 113.36 1ctm s SER 216 Ca 0.20 -0.76 -0.24 0.00 1.31 0.00 0.00 55.95 56.45 1ctm s SER 216 Cb -0.06 -0.33 -0.09 0.00 0.21 0.00 0.00 66.02 65.75 1ctm s SER 216 CO 0.09 0.14 1.23 -0.62 0.41 0.00 0.00 173.24 174.50 1ctm n GLU 217 N 0.50 1.78 -0.20 12.44 1.02 -1.26 -1.93 120.64 132.99 1ctm n GLU 217 Ca -0.14 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1ctm n GLU 217 Cb 0.55 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1ctm n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ctm n GLY 218 N 0.87 1.58 3.81 0.62 0.00 0.10 -4.98 105.19 107.19 1ctm n GLY 218 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1ctm n GLY 218 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ctm s GLU 219 N -0.36 4.26 -0.12 1.61 2.12 -0.81 -4.74 118.70 120.65 1ctm s GLU 219 Ca 0.00 0.88 -0.23 0.00 0.36 0.00 0.00 54.97 55.98 1ctm s GLU 219 Cb 0.00 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 1ctm s GLU 219 CO 0.00 0.38 0.72 -1.12 -0.54 0.00 0.00 175.26 174.70 1ctm s SER 220 N -1.66 6.92 0.06 -1.70 0.01 -1.26 -1.28 113.70 114.78 1ctm s SER 220 Ca 0.44 1.11 0.07 0.00 1.31 0.00 0.00 55.95 58.88 1ctm s SER 220 Cb -0.17 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1ctm s SER 220 CO 0.21 -0.21 -0.17 -0.51 0.41 0.00 0.00 173.24 172.97 1ctm s ILE 221 N 1.33 2.87 0.32 1.44 1.10 0.40 -4.97 121.20 123.69 1ctm s ILE 221 Ca 0.36 -1.25 0.03 0.00 -0.51 0.00 0.00 60.65 59.28 1ctm s ILE 221 Cb -0.17 -2.25 -0.02 0.00 0.15 0.00 0.00 42.46 40.17 1ctm s ILE 221 CO 0.15 0.27 0.48 -0.54 -2.11 0.00 0.00 174.94 173.19 1ctm s LYS 222 N -1.65 3.34 0.35 3.50 1.02 -1.26 -0.80 119.74 124.24 1ctm s LYS 222 Ca 0.16 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 55.22 1ctm s LYS 222 Cb -0.11 -2.76 -0.12 0.00 -0.52 0.00 0.00 37.83 34.33 1ctm s LYS 222 CO 0.07 0.18 1.45 -0.11 -0.92 0.00 0.00 175.35 176.01 1ctm n LEU 223 N -1.66 4.34 -1.11 3.17 7.94 -1.26 -1.99 117.00 126.43 1ctm n LEU 223 Ca -0.05 1.21 -0.14 0.00 -1.11 0.00 0.00 56.01 55.92 1ctm n LEU 223 Cb 0.57 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.88 1ctm n LEU 223 CO 0.46 -0.03 -0.14 0.47 -1.11 0.00 0.00 177.39 177.04 1ctm n ASP 224 N 0.83 -5.54 -4.71 1.96 9.92 0.24 -4.94 116.55 114.31 1ctm n ASP 224 Ca 0.04 0.36 -0.42 0.00 -0.53 0.00 0.00 54.79 54.23 1ctm n ASP 224 Cb 0.38 -4.31 -0.03 0.00 -0.64 0.00 0.00 41.12 36.51 1ctm n ASP 224 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1ctm s GLN 225 N -3.20 4.43 -0.08 -1.24 0.74 -0.84 -4.59 119.66 114.88 1ctm s GLN 225 Ca 0.00 1.79 -0.37 0.00 0.05 0.00 0.00 55.36 56.84 1ctm s GLN 225 Cb 0.00 -3.33 -0.14 0.00 1.10 0.00 0.00 33.01 30.63 1ctm s GLN 225 CO 0.00 -0.25 1.68 -0.35 -0.55 0.00 0.00 175.29 175.82 1ctm n PRO 226 N 3.81 1.63 0.01 1.67 -0.04 -1.26 -1.08 135.00 139.74 1ctm n PRO 226 Ca 0.09 0.59 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 1ctm n PRO 226 Cb 0.46 -2.33 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 1ctm n PRO 226 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ctm n LEU 227 N 4.92 0.66 -4.37 1.53 4.77 0.58 -4.86 117.00 120.23 1ctm n LEU 227 Ca 0.22 -0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 55.81 1ctm n LEU 227 Cb 0.22 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1ctm n LEU 227 CO 0.72 0.13 -0.28 0.42 -1.33 0.00 0.00 177.39 177.05 1ctm s THR 228 N -3.15 0.92 0.95 -5.08 -4.23 -1.22 -0.43 115.64 103.41 1ctm s THR 228 Ca 0.04 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 1ctm s THR 228 Cb 0.15 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 71.55 1ctm s THR 228 CO 0.84 -0.10 1.10 -0.44 -0.54 0.00 0.00 174.62 175.49 1ctm s SER 229 N -3.37 2.75 -0.43 3.99 0.01 -0.21 -4.72 113.70 111.71 1ctm s SER 229 Ca 0.35 1.88 -0.23 0.00 1.31 0.00 0.00 55.95 59.25 1ctm s SER 229 Cb 0.08 -2.44 0.02 0.00 0.21 0.00 0.00 66.02 63.89 1ctm s SER 229 CO 0.13 -3.15 0.79 0.21 0.41 0.00 0.00 173.24 171.63 1ctm s ASN 230 N -2.85 6.45 0.00 2.44 3.84 -1.26 -4.53 114.94 119.03 1ctm s ASN 230 Ca 0.66 0.01 0.06 0.00 0.21 0.00 0.00 52.86 53.80 1ctm s ASN 230 Cb -0.22 -2.39 0.20 0.00 -0.55 0.00 0.00 41.25 38.29 1ctm s ASN 230 CO 0.59 -0.88 1.16 -0.81 -2.79 0.00 0.00 177.10 174.37 1ctm n PRO 231 N 6.67 1.40 -3.12 0.43 -0.04 -1.26 -4.89 135.00 134.20 1ctm n PRO 231 Ca 0.03 -0.63 -0.41 0.00 -0.04 0.00 0.00 63.50 62.45 1ctm n PRO 231 Cb 0.48 -1.15 -0.07 0.00 -0.04 0.00 0.00 33.50 32.73 1ctm n PRO 231 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1ctm s ASN 232 N -1.03 6.48 0.00 3.54 2.47 -1.26 -4.43 114.94 120.71 1ctm s ASN 232 Ca 0.13 0.39 0.17 0.00 0.42 0.00 0.00 52.86 53.97 1ctm s ASN 232 Cb 0.07 -2.33 0.27 0.00 -1.45 0.00 0.00 41.25 37.81 1ctm s ASN 232 CO 0.09 -0.49 1.18 1.33 -3.72 0.00 0.00 177.10 175.49 1ctm n VAL 233 N 5.41 0.40 -2.33 -5.21 0.24 -1.26 -5.01 118.33 110.57 1ctm n VAL 233 Ca -0.01 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 1ctm n VAL 233 Cb 0.49 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 1ctm n VAL 233 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ctm n GLY 234 N 1.00 3.47 0.00 7.63 0.00 -1.26 -5.02 105.19 111.02 1ctm n GLY 234 Ca 0.13 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1ctm n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ctm n GLY 235 N 5.00 1.80 3.39 -0.02 0.00 -0.38 -4.68 105.19 110.30 1ctm n GLY 235 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1ctm n GLY 235 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ctm s PHE 236 N -2.00 2.36 0.15 1.61 5.36 0.77 -2.31 117.98 123.93 1ctm s PHE 236 Ca 0.00 -0.37 -0.07 0.00 -0.96 0.00 0.00 56.93 55.54 1ctm s PHE 236 Cb 0.00 -1.34 -0.02 0.00 -0.34 0.00 0.00 43.02 41.32 1ctm s PHE 236 CO 0.00 0.25 0.22 0.20 -1.46 0.00 0.00 175.22 174.43 1ctm s GLY 237 N -1.67 0.63 0.06 13.12 0.00 -0.65 -0.93 107.32 117.87 1ctm s GLY 237 Ca 0.14 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1ctm s GLY 237 CO 0.05 -0.99 -0.04 -0.86 0.00 0.00 0.00 173.10 171.25 1ctm s GLN 238 N -3.99 0.60 0.33 2.90 -2.07 -1.26 -1.39 119.66 114.77 1ctm s GLN 238 Ca 0.19 -1.09 -0.08 0.00 -1.82 0.00 0.00 55.36 52.56 1ctm s GLN 238 Cb 0.05 0.05 0.01 0.00 -1.09 0.00 0.00 33.01 32.03 1ctm s GLN 238 CO 0.00 -0.06 0.54 0.20 -1.32 0.00 0.00 175.29 174.65 1ctm s GLY 239 N -2.56 1.03 0.06 2.60 0.00 -0.88 -4.67 107.32 102.90 1ctm s GLY 239 Ca 0.02 -1.21 -0.13 0.00 0.00 0.00 0.00 44.72 43.41 1ctm s GLY 239 CO -0.06 -0.77 0.29 0.51 0.00 0.00 0.00 173.10 173.07 1ctm s ASP 240 N -3.15 -0.09 0.23 1.64 -4.77 -1.26 -1.42 116.67 107.85 1ctm s ASP 240 Ca 0.26 -0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.21 1ctm s ASP 240 Cb -0.01 0.37 -0.04 0.00 -1.09 0.00 0.00 42.92 42.14 1ctm s ASP 240 CO 0.16 -0.66 0.12 0.00 0.70 0.00 0.00 175.17 175.49 1ctm s ALA 241 N -2.93 1.43 -0.02 2.11 0.00 -0.32 -4.95 121.76 117.08 1ctm s ALA 241 Ca -0.02 -1.77 0.02 0.00 0.00 0.00 0.00 51.96 50.18 1ctm s ALA 241 Cb 0.00 1.26 0.00 0.00 0.00 0.00 0.00 23.12 24.38 1ctm s ALA 241 CO -0.06 -0.54 -0.07 -2.00 0.00 0.00 0.00 175.76 173.09 1ctm s GLU 242 N -4.08 0.69 0.03 0.00 2.12 -1.26 -1.07 118.70 115.13 1ctm s GLU 242 Ca 0.38 -0.23 0.07 0.00 0.36 0.00 0.00 54.97 55.55 1ctm s GLU 242 Cb 0.07 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.77 1ctm s GLU 242 CO 0.13 0.10 -0.19 -1.50 -0.54 0.00 0.00 175.26 173.26 1ctm s ILE 243 N 0.11 1.53 -0.30 -3.70 2.07 -0.01 -4.87 121.20 116.04 1ctm s ILE 243 Ca -0.01 -1.09 -0.10 0.00 -1.41 0.00 0.00 60.65 58.03 1ctm s ILE 243 Cb -0.06 -1.33 -0.02 0.00 0.13 0.00 0.00 42.46 41.17 1ctm s ILE 243 CO -0.00 0.20 0.17 -0.69 -1.91 0.00 0.00 174.94 172.72 1ctm s VAL 244 N -0.75 4.93 -0.27 4.00 1.01 -0.70 -1.02 120.40 127.61 1ctm s VAL 244 Ca 0.06 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1ctm s VAL 244 Cb -0.08 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1ctm s VAL 244 CO 0.01 0.14 1.12 -0.22 0.00 0.00 0.00 175.10 176.15 1ctm s LEU 245 N 1.68 4.02 -0.11 3.92 2.96 -0.43 -0.95 118.68 129.76 1ctm s LEU 245 Ca 0.06 1.27 -0.04 0.00 -0.22 0.00 0.00 54.13 55.20 1ctm s LEU 245 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1ctm s LEU 245 CO 0.08 -0.82 0.05 -1.58 -1.32 0.00 0.00 176.35 172.77 1ctm s GLN 246 N 3.55 3.29 0.15 1.98 0.74 0.59 -3.37 119.66 126.59 1ctm s GLN 246 Ca 0.48 -0.31 -0.31 0.00 0.05 0.00 0.00 55.36 55.26 1ctm s GLN 246 Cb -0.15 -2.98 -0.09 0.00 1.10 0.00 0.00 33.01 30.89 1ctm s GLN 246 CO 0.13 0.66 1.43 0.34 -0.55 0.00 0.00 175.29 177.29 1ctm s ASP 247 N -0.72 6.76 0.00 6.67 -1.08 -1.26 -4.12 116.67 122.91 1ctm s ASP 247 Ca 0.12 2.44 0.14 0.00 -0.52 0.00 0.00 52.55 54.73 1ctm s ASP 247 Cb -0.12 -2.60 0.80 0.00 -1.46 0.00 0.00 42.92 39.54 1ctm s ASP 247 CO 0.02 -0.68 1.26 -0.81 0.52 0.00 0.00 175.17 175.48 1ctm n PRO 248 N 3.58 0.39 0.00 4.34 -0.04 -1.26 -4.53 135.00 137.48 1ctm n PRO 248 Ca 0.11 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1ctm n PRO 248 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1ctm n PRO 248 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ctm n LEU 249 N -1.05 0.00 0.00 1.53 4.77 -1.26 -5.20 117.00 115.79 1ctm n LEU 249 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1ctm n LEU 249 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1ctm n LEU 249 CO 0.08 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.68