#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujm s LYS 3 N 0.00 3.27 -0.17 0.00 2.36 -1.26 -4.90 119.74 119.03 1ujm s LYS 3 Ca 0.00 1.73 -0.14 0.00 -2.55 0.00 0.00 55.97 55.00 1ujm s LYS 3 Cb 0.00 -4.27 -0.04 0.00 -1.05 0.00 0.00 37.83 32.46 1ujm s LYS 3 CO 0.00 -1.94 0.32 0.42 1.55 0.00 0.00 175.35 175.70 1ujm s ILE 4 N 7.45 5.27 0.11 5.43 -1.09 -1.26 -5.04 121.20 132.08 1ujm s ILE 4 Ca 0.89 0.60 -0.31 0.00 -2.23 0.00 0.00 60.65 59.60 1ujm s ILE 4 Cb -0.28 -3.66 -0.10 0.00 -1.58 0.00 0.00 42.46 36.84 1ujm s ILE 4 CO 0.34 0.35 1.80 -0.62 -1.23 0.00 0.00 174.94 175.58 1ujm s ASP 5 N 0.67 6.45 -1.64 3.58 2.15 -1.26 -2.96 116.67 123.67 1ujm s ASP 5 Ca 0.17 2.72 -0.14 0.00 0.43 0.00 0.00 52.55 55.72 1ujm s ASP 5 Cb -0.14 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.04 1ujm s ASP 5 CO 0.05 -0.99 0.71 0.59 -0.17 0.00 0.00 175.17 175.37 1ujm n ASN 6 N 5.67 -2.75 -4.77 -0.34 3.02 -1.26 -4.86 115.26 109.97 1ujm n ASN 6 Ca 0.17 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.31 1ujm n ASN 6 Cb 0.39 -2.86 -0.01 0.00 -0.61 0.00 0.00 39.78 36.69 1ujm n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujm s ALA 7 N -3.44 3.61 -0.34 5.41 0.00 -1.15 -4.40 121.76 121.45 1ujm s ALA 7 Ca 0.58 1.53 0.27 0.00 0.00 0.00 0.00 51.96 54.34 1ujm s ALA 7 Cb -0.32 -3.60 0.89 0.00 0.00 0.00 0.00 23.12 20.09 1ujm s ALA 7 CO 0.92 -0.98 1.78 -0.39 0.00 0.00 0.00 175.76 177.09 1ujm h VAL 8 N 3.12 0.00 -3.44 0.00 -1.51 -1.13 -3.42 116.25 109.87 1ujm h VAL 8 Ca -0.49 -0.58 -0.64 0.00 -1.23 0.00 0.00 66.70 63.76 1ujm h VAL 8 Cb 1.23 1.52 -0.22 0.00 -2.13 0.00 0.00 31.29 31.69 1ujm h VAL 8 CO 0.69 0.00 -0.65 -0.76 -1.23 0.00 0.00 177.57 175.62 1ujm s LEU 9 N -5.48 3.31 0.17 4.19 1.43 -1.26 -5.01 118.68 116.04 1ujm s LEU 9 Ca 0.05 -0.18 -0.33 0.00 -1.03 0.00 0.00 54.13 52.64 1ujm s LEU 9 Cb 0.09 -1.84 -0.16 0.00 0.03 0.00 0.00 46.19 44.31 1ujm s LEU 9 CO 0.56 0.06 1.16 -2.65 0.23 0.00 0.00 176.35 175.71 1ujm n PRO 10 N 4.26 1.16 -1.69 1.29 -0.02 -1.26 -4.83 135.00 133.91 1ujm n PRO 10 Ca -0.17 0.41 -0.44 0.00 -2.02 0.00 0.00 63.50 61.28 1ujm n PRO 10 Cb 0.52 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 32.07 1ujm n PRO 10 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ujm n GLU 11 N 1.74 2.18 -0.92 -0.52 0.28 -1.26 -0.76 120.64 121.38 1ujm n GLU 11 Ca 0.15 0.78 0.00 0.00 -0.16 0.00 0.00 57.16 57.92 1ujm n GLU 11 Cb 0.25 -2.45 0.00 0.00 1.43 0.00 0.00 31.44 30.66 1ujm n GLU 11 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ujm n GLY 12 N 2.08 0.53 3.74 -1.84 0.00 -1.23 -5.03 105.19 103.44 1ujm n GLY 12 Ca 0.11 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1ujm n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujm s SER 13 N -2.08 3.86 -0.13 1.61 0.01 0.06 -4.32 113.70 112.70 1ujm s SER 13 Ca 0.00 1.55 -0.14 0.00 1.31 0.00 0.00 55.95 58.68 1ujm s SER 13 Cb 0.00 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 1ujm s SER 13 CO 0.00 -2.41 0.31 -0.22 0.41 0.00 0.00 173.24 171.33 1ujm s LEU 14 N -6.09 4.29 -0.09 2.44 2.96 -1.26 -1.08 118.68 119.85 1ujm s LEU 14 Ca 0.62 0.59 0.04 0.00 -0.22 0.00 0.00 54.13 55.17 1ujm s LEU 14 Cb -0.17 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.12 1ujm s LEU 14 CO 0.56 0.15 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.83 1ujm s VAL 15 N 0.11 1.96 -0.21 1.68 1.01 0.17 -0.87 120.40 124.26 1ujm s VAL 15 Ca 0.18 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1ujm s VAL 15 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1ujm s VAL 15 CO 0.06 0.54 0.56 -0.22 0.00 0.00 0.00 175.10 176.03 1ujm s LEU 16 N 0.32 4.13 -0.25 3.92 2.96 -0.10 -1.49 118.68 128.18 1ujm s LEU 16 Ca -0.17 0.71 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 1ujm s LEU 16 Cb -0.17 -2.77 0.05 0.00 0.50 0.00 0.00 46.19 43.80 1ujm s LEU 16 CO 0.08 -0.23 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.07 1ujm s VAL 17 N 1.83 2.14 0.38 1.68 1.01 -0.81 0.00 120.40 126.63 1ujm s VAL 17 Ca 0.25 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 60.51 1ujm s VAL 17 Cb -0.16 -2.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 1ujm s VAL 17 CO 0.10 0.07 0.90 0.42 0.00 0.00 0.00 175.10 176.59 1ujm s THR 18 N 1.14 4.41 -1.63 3.92 -4.23 -0.72 -1.34 115.64 117.19 1ujm s THR 18 Ca -0.06 1.46 -0.03 0.00 -1.18 0.00 0.00 61.69 61.88 1ujm s THR 18 Cb -0.19 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1ujm s THR 18 CO -0.06 -0.18 0.36 0.61 -0.54 0.00 0.00 174.62 174.80 1ujm n GLY 19 N -0.29 -0.49 0.08 3.99 0.00 -0.96 -2.89 105.19 104.63 1ujm n GLY 19 Ca 0.05 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1ujm n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujm n ALA 20 N -2.91 0.84 0.99 4.61 0.00 -0.61 -1.19 120.51 122.25 1ujm n ALA 20 Ca -0.17 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1ujm n ALA 20 Cb 0.65 -0.96 0.40 0.00 0.00 0.00 0.00 19.45 19.54 1ujm n ALA 20 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ujm n ASN 21 N -1.80 0.30 -4.75 0.00 6.94 -1.26 -3.54 115.26 111.15 1ujm n ASN 21 Ca -0.01 0.07 -0.31 0.00 -0.02 0.00 0.00 54.58 54.31 1ujm n ASN 21 Cb 0.12 -0.06 0.10 0.00 -2.36 0.00 0.00 39.78 37.58 1ujm n ASN 21 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ujm s GLY 22 N -3.01 1.67 0.04 4.83 0.00 -0.33 -4.81 107.32 105.70 1ujm s GLY 22 Ca 0.12 0.22 -0.21 0.00 0.00 0.00 0.00 44.72 44.85 1ujm s GLY 22 CO 0.63 0.60 1.32 -2.75 0.00 0.00 0.00 173.10 172.90 1ujm h PHE 23 N -1.24 -0.76 -0.44 1.90 3.57 -1.89 0.37 116.94 118.45 1ujm h PHE 23 Ca -0.45 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.11 1ujm h PHE 23 Cb 1.24 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 1ujm h PHE 23 CO 0.55 -0.42 0.15 0.28 -2.23 0.00 0.00 178.31 176.64 1ujm h VAL 24 N -0.68 0.85 -0.74 1.41 2.07 -1.95 -2.45 116.25 114.76 1ujm h VAL 24 Ca -0.06 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.45 1ujm h VAL 24 Cb 0.55 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1ujm h VAL 24 CO 0.05 0.06 0.38 0.00 0.02 0.00 0.00 177.57 178.07 1ujm h ALA 25 N 1.29 1.03 -0.05 1.67 0.00 -1.81 -1.88 119.26 119.52 1ujm h ALA 25 Ca 0.21 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ujm h ALA 25 Cb 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ujm h ALA 25 CO -0.22 -0.03 -0.05 0.66 0.00 0.00 0.00 179.25 179.61 1ujm h SER 26 N 0.63 0.06 0.58 0.00 4.64 -0.42 -0.03 113.55 119.01 1ujm h SER 26 Ca 0.37 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.48 1ujm h SER 26 Cb 0.39 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1ujm h SER 26 CO -0.27 0.13 -0.87 0.45 -0.87 0.00 0.00 176.83 175.39 1ujm h HIS 27 N 0.07 0.29 -0.30 4.77 3.86 -1.23 -1.14 115.15 121.47 1ujm h HIS 27 Ca 0.02 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 1ujm h HIS 27 Cb 0.14 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1ujm h HIS 27 CO 0.00 0.97 -0.03 0.28 0.86 0.00 0.00 177.93 180.01 1ujm h VAL 28 N 0.11 1.27 0.21 2.45 2.07 -0.87 -1.90 116.25 119.58 1ujm h VAL 28 Ca -0.04 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1ujm h VAL 28 Cb 1.50 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1ujm h VAL 28 CO 0.13 0.32 -0.20 0.58 0.02 0.00 0.00 177.57 178.43 1ujm h VAL 29 N 0.33 0.57 -0.97 2.57 2.07 -0.96 -1.97 116.25 117.89 1ujm h VAL 29 Ca 0.08 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1ujm h VAL 29 Cb 0.48 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1ujm h VAL 29 CO 0.02 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.15 1ujm h GLU 30 N -0.44 1.06 -0.41 1.57 4.81 -1.15 -0.77 114.58 119.25 1ujm h GLU 30 Ca -0.00 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1ujm h GLU 30 Cb 0.40 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1ujm h GLU 30 CO -0.04 0.70 -0.13 0.37 -0.73 0.00 0.00 179.01 179.18 1ujm h GLN 31 N 1.09 0.74 -0.41 1.92 5.75 -1.13 -0.10 115.11 122.97 1ujm h GLN 31 Ca 0.43 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.61 1ujm h GLN 31 Cb 0.23 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1ujm h GLN 31 CO -0.19 0.83 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.74 1ujm h LEU 32 N 0.66 0.72 -0.48 -2.39 3.38 -0.57 -2.58 115.31 114.06 1ujm h LEU 32 Ca 0.11 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1ujm h LEU 32 Cb 0.60 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1ujm h LEU 32 CO 0.04 0.86 0.25 -0.07 0.09 0.00 0.00 178.44 179.62 1ujm h LEU 33 N 0.57 0.62 -2.33 1.67 4.07 -0.88 -1.86 115.31 117.16 1ujm h LEU 33 Ca 0.12 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1ujm h LEU 33 Cb 0.50 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 1ujm h LEU 33 CO 0.02 0.55 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.58 1ujm h GLU 34 N 0.64 0.00 -0.49 1.13 5.08 -0.90 -1.84 114.58 118.21 1ujm h GLU 34 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ujm h GLU 34 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ujm h GLU 34 CO -0.02 0.03 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 1ujm n HIS 35 N -3.86 0.65 -0.61 4.33 8.25 -0.83 -4.81 115.22 118.35 1ujm n HIS 35 Ca -0.03 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1ujm n HIS 35 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1ujm n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ujm n GLY 36 N 1.33 0.74 3.86 -1.41 0.00 -0.69 -4.76 105.19 104.26 1ujm n GLY 36 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1ujm n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ujm s TYR 37 N -2.54 3.48 0.17 1.61 2.02 -0.76 -3.53 117.35 117.80 1ujm s TYR 37 Ca 0.00 1.03 -0.14 0.00 -0.37 0.00 0.00 57.07 57.58 1ujm s TYR 37 Cb 0.00 -2.37 -0.07 0.00 -0.40 0.00 0.00 41.96 39.12 1ujm s TYR 37 CO 0.00 0.28 0.58 0.15 -1.57 0.00 0.00 175.55 174.99 1ujm s LYS 38 N -2.56 3.99 -0.03 -0.62 1.02 -0.24 -4.08 119.74 117.22 1ujm s LYS 38 Ca 0.46 0.52 0.03 0.00 0.02 0.00 0.00 55.97 56.99 1ujm s LYS 38 Cb -0.12 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1ujm s LYS 38 CO 0.20 0.44 -0.11 0.08 -0.92 0.00 0.00 175.35 175.04 1ujm s VAL 39 N -1.53 0.93 -0.40 3.17 1.01 -0.71 -0.66 120.40 122.21 1ujm s VAL 39 Ca 0.40 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1ujm s VAL 39 Cb -0.15 -0.82 0.10 0.00 0.00 0.00 0.00 36.38 35.52 1ujm s VAL 39 CO 0.19 0.28 0.19 -0.60 0.00 0.00 0.00 175.10 175.17 1ujm s ARG 40 N 0.16 2.05 -0.04 2.72 3.52 -0.55 -1.20 118.95 125.61 1ujm s ARG 40 Ca -0.03 -1.76 -0.14 0.00 -0.13 0.00 0.00 55.73 53.66 1ujm s ARG 40 Cb -0.09 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 1ujm s ARG 40 CO 0.01 -1.03 0.37 0.20 -0.81 0.00 0.00 175.30 174.04 1ujm s GLY 41 N 1.79 2.41 0.17 8.12 0.00 -0.56 -1.92 107.32 117.33 1ujm s GLY 41 Ca 0.07 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 44.56 1ujm s GLY 41 CO -0.04 0.19 0.14 -0.51 0.00 0.00 0.00 173.10 172.88 1ujm s THR 42 N -0.71 4.47 0.21 0.90 -4.23 -0.45 -0.22 115.64 115.60 1ujm s THR 42 Ca 0.22 -1.11 -0.19 0.00 -1.18 0.00 0.00 61.69 59.43 1ujm s THR 42 Cb -0.16 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.43 1ujm s THR 42 CO 0.11 -0.13 0.58 0.00 -0.54 0.00 0.00 174.62 174.65 1ujm s ALA 43 N -1.78 -1.10 -0.48 3.99 0.00 -1.03 -1.57 121.76 119.79 1ujm s ALA 43 Ca 0.31 -0.13 0.23 0.00 0.00 0.00 0.00 51.96 52.36 1ujm s ALA 43 Cb -0.10 0.87 0.97 0.00 0.00 0.00 0.00 23.12 24.86 1ujm s ALA 43 CO 0.23 -0.86 1.69 0.54 0.00 0.00 0.00 175.76 177.36 1ujm n ARG 44 N -0.38 0.18 -3.53 0.00 1.74 -1.26 -1.58 116.66 111.84 1ujm n ARG 44 Ca -0.10 0.44 -0.14 0.00 -0.77 0.00 0.00 57.85 57.28 1ujm n ARG 44 Cb 0.62 -1.86 -0.04 0.00 -1.02 0.00 0.00 32.46 30.16 1ujm n ARG 44 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ujm s SER 45 N -4.15 -0.50 0.44 0.55 1.04 -1.26 -4.54 113.70 105.27 1ujm s SER 45 Ca 0.04 0.20 0.19 0.00 0.48 0.00 0.00 55.95 56.85 1ujm s SER 45 Cb 0.09 0.53 1.01 0.00 0.10 0.00 0.00 66.02 67.75 1ujm s SER 45 CO 0.36 -0.77 1.93 0.00 0.98 0.00 0.00 173.24 175.74 1ujm h ALA 46 N 2.59 1.37 -0.01 5.32 0.00 -1.90 -2.76 119.26 123.87 1ujm h ALA 46 Ca -0.31 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 1ujm h ALA 46 Cb 1.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1ujm h ALA 46 CO 0.40 0.31 -0.63 0.66 0.00 0.00 0.00 179.25 180.00 1ujm h SER 47 N 0.00 0.06 0.16 0.00 4.64 -1.99 -2.76 113.55 113.67 1ujm h SER 47 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ujm h SER 47 Cb 0.51 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1ujm h SER 47 CO 0.03 0.67 0.00 0.11 -0.87 0.00 0.00 176.83 176.77 1ujm h LYS 48 N 0.04 0.00 -0.05 4.77 1.57 -1.90 -1.62 116.57 119.38 1ujm h LYS 48 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ujm h LYS 48 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1ujm h LYS 48 CO 0.08 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.24 1ujm n LEU 49 N -3.05 1.87 -0.05 2.94 4.77 -1.11 -4.74 117.00 117.64 1ujm n LEU 49 Ca -0.02 -1.14 -0.08 0.00 -0.03 0.00 0.00 56.01 54.73 1ujm n LEU 49 Cb 0.11 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1ujm n LEU 49 CO 0.21 0.39 0.68 0.00 -1.33 0.00 0.00 177.39 177.34 1ujm h ALA 50 N 1.69 -0.16 -0.16 -1.18 0.00 -1.01 0.61 119.26 119.06 1ujm h ALA 50 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ujm h ALA 50 Cb 0.41 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1ujm h ALA 50 CO 0.00 -0.69 0.04 -0.91 0.00 0.00 0.00 179.25 177.69 1ujm h ASN 51 N -0.27 0.03 -0.61 0.00 2.35 -1.85 -1.15 115.58 114.08 1ujm h ASN 51 Ca 0.14 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1ujm h ASN 51 Cb 0.48 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1ujm h ASN 51 CO -0.40 0.04 0.05 -0.07 -1.65 0.00 0.00 177.43 175.40 1ujm h LEU 52 N 0.11 1.03 -0.77 1.61 3.38 -1.78 -1.99 115.31 116.90 1ujm h LEU 52 Ca 0.07 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1ujm h LEU 52 Cb 0.05 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1ujm h LEU 52 CO -0.08 1.05 0.49 -0.61 0.09 0.00 0.00 178.44 179.37 1ujm h GLN 53 N 0.98 0.93 -0.63 1.13 5.75 0.50 0.70 115.11 124.47 1ujm h GLN 53 Ca 0.19 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 1ujm h GLN 53 Cb 0.49 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1ujm h GLN 53 CO 0.02 0.62 0.32 -0.22 -2.65 0.00 0.00 178.83 176.92 1ujm h LYS 54 N 0.96 0.90 -0.17 1.69 3.64 -0.88 0.12 116.57 122.83 1ujm h LYS 54 Ca 0.31 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1ujm h LYS 54 Cb 0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1ujm h LYS 54 CO -0.11 0.71 0.09 -0.09 -2.27 0.00 0.00 179.45 177.77 1ujm h ARG 55 N 0.87 0.24 0.00 1.90 2.43 -0.55 -2.82 114.38 116.45 1ujm h ARG 55 Ca 0.22 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1ujm h ARG 55 Cb 0.09 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1ujm h ARG 55 CO -0.03 0.25 -0.35 -1.49 -1.51 0.00 0.00 179.97 176.84 1ujm h TRP 56 N 0.16 0.00 -0.22 2.20 6.55 -0.65 -2.35 115.95 121.64 1ujm h TRP 56 Ca 0.06 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.79 1ujm h TRP 56 Cb 0.09 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.37 1ujm h TRP 56 CO -0.04 0.35 -0.33 -0.44 -1.05 0.00 0.00 178.44 176.94 1ujm h ASP 57 N 0.00 0.48 0.28 -3.49 3.32 -0.61 0.29 116.42 116.70 1ujm h ASP 57 Ca -0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 57.03 56.56 1ujm h ASP 57 Cb 0.89 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 40.33 1ujm h ASP 57 CO 0.05 0.79 -1.27 0.00 -1.72 0.00 0.00 179.24 177.09 1ujm h ALA 58 N 1.24 0.02 0.17 3.45 0.00 -1.33 -2.76 119.26 120.05 1ujm h ALA 58 Ca 0.05 -0.81 -0.33 0.00 0.00 0.00 0.00 54.91 53.82 1ujm h ALA 58 Cb 0.78 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ujm h ALA 58 CO 0.06 0.76 -1.64 0.87 0.00 0.00 0.00 179.25 179.30 1ujm h LYS 59 N 0.20 0.35 -2.14 0.00 1.57 -1.41 -3.40 116.57 111.74 1ujm h LYS 59 Ca -0.18 -0.61 -0.56 0.00 -1.87 0.00 0.00 60.65 57.43 1ujm h LYS 59 Cb 1.95 0.23 -0.41 0.00 0.08 0.00 0.00 32.23 34.08 1ujm h LYS 59 CO 0.23 1.29 -0.84 0.66 -0.57 0.00 0.00 179.45 180.22 1ujm n TYR 60 N -3.70 2.27 -1.62 -1.35 4.01 0.10 -5.08 117.16 111.79 1ujm n TYR 60 Ca -0.25 -3.92 -0.54 0.00 -0.16 0.00 0.00 57.90 53.03 1ujm n TYR 60 Cb 1.02 -0.47 -0.07 0.00 -0.31 0.00 0.00 39.34 39.52 1ujm n TYR 60 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ujm n PRO 61 N 0.48 1.01 -1.07 -0.72 -0.04 -1.04 -1.46 135.00 132.16 1ujm n PRO 61 Ca 0.28 0.37 -0.02 0.00 -0.04 0.00 0.00 63.50 64.08 1ujm n PRO 61 Cb 0.48 -2.00 -0.01 0.00 -0.04 0.00 0.00 33.50 31.93 1ujm n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ujm n GLY 62 N 2.87 0.45 0.03 0.55 0.00 -1.26 -4.87 105.19 102.96 1ujm n GLY 62 Ca 0.21 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1ujm n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujm n ARG 63 N -1.26 0.74 -4.70 1.61 5.12 -0.53 -4.97 116.66 112.66 1ujm n ARG 63 Ca -0.02 -0.12 -0.32 0.00 -1.93 0.00 0.00 57.85 55.45 1ujm n ARG 63 Cb 0.29 -1.45 -0.12 0.00 -1.16 0.00 0.00 32.46 30.01 1ujm n ARG 63 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1ujm s PHE 64 N -3.06 2.75 -0.04 -1.55 5.36 -1.26 -1.74 117.98 118.44 1ujm s PHE 64 Ca -0.07 -0.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.78 1ujm s PHE 64 Cb 0.10 -1.60 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1ujm s PHE 64 CO 0.77 0.27 -0.05 -2.00 -1.46 0.00 0.00 175.22 172.75 1ujm s GLU 65 N -1.07 0.81 0.14 10.12 2.12 -0.34 -4.97 118.70 125.51 1ujm s GLU 65 Ca 0.14 -0.13 -0.29 0.00 0.36 0.00 0.00 54.97 55.05 1ujm s GLU 65 Cb -0.11 -0.80 -0.07 0.00 0.26 0.00 0.00 34.13 33.42 1ujm s GLU 65 CO 0.03 -0.04 0.91 0.99 -0.54 0.00 0.00 175.26 176.62 1ujm s THR 66 N 0.74 4.42 0.08 -1.70 2.01 -1.26 -1.49 115.64 118.44 1ujm s THR 66 Ca -0.10 1.98 0.06 0.00 0.31 0.00 0.00 61.69 63.95 1ujm s THR 66 Cb -0.13 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 1ujm s THR 66 CO 0.00 0.38 -0.17 0.00 -0.69 0.00 0.00 174.62 174.15 1ujm s ALA 67 N -0.38 1.43 -0.16 7.40 0.00 0.69 -4.91 121.76 125.82 1ujm s ALA 67 Ca 0.43 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 1ujm s ALA 67 Cb -0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1ujm s ALA 67 CO 0.29 0.24 -0.10 0.08 0.00 0.00 0.00 175.76 176.28 1ujm s VAL 68 N -1.23 3.16 -0.34 0.00 1.01 -1.26 -2.46 120.40 119.28 1ujm s VAL 68 Ca 0.01 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1ujm s VAL 68 Cb -0.10 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 34.01 1ujm s VAL 68 CO 0.03 0.49 0.07 -0.69 0.00 0.00 0.00 175.10 175.00 1ujm s VAL 69 N 0.78 1.83 0.12 2.92 1.01 -0.61 -4.93 120.40 121.51 1ujm s VAL 69 Ca -0.04 -2.07 -0.26 0.00 0.00 0.00 0.00 61.98 59.61 1ujm s VAL 69 Cb -0.15 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 1ujm s VAL 69 CO 0.01 -0.63 1.65 -0.33 0.00 0.00 0.00 175.10 175.80 1ujm h GLU 70 N 7.73 -0.36 0.00 2.72 5.08 -1.81 -3.35 114.58 124.59 1ujm h GLU 70 Ca -0.07 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1ujm h GLU 70 Cb 1.01 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1ujm h GLU 70 CO 0.51 -0.24 -0.14 -3.47 -1.00 0.00 0.00 179.01 174.66 1ujm n ASP 71 N -5.34 0.10 0.00 1.42 4.64 -1.26 -4.87 116.55 111.24 1ujm n ASP 71 Ca -0.06 -1.67 0.00 0.00 -1.38 0.00 0.00 54.79 51.68 1ujm n ASP 71 Cb 0.26 0.46 0.00 0.00 -1.04 0.00 0.00 41.12 40.80 1ujm n ASP 71 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1ujm n LEU 73 N 0.00 0.00 -4.74 -2.67 4.77 -1.26 -4.74 117.00 108.35 1ujm n LEU 73 Ca 0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 1ujm n LEU 73 Cb 0.19 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1ujm n LEU 73 CO 0.10 0.00 1.19 -0.75 -1.33 0.00 0.00 177.39 176.59 1ujm s LYS 74 N 0.00 4.19 0.43 3.23 2.20 -1.26 -4.93 119.74 123.60 1ujm s LYS 74 Ca 0.00 2.44 -0.24 0.00 -0.36 0.00 0.00 55.97 57.81 1ujm s LYS 74 Cb 0.00 -3.07 -0.08 0.00 -1.51 0.00 0.00 37.83 33.17 1ujm s LYS 74 CO 0.00 -0.54 1.19 -1.14 -0.36 0.00 0.00 175.35 174.50 1ujm s GLN 75 N -0.29 3.91 0.00 4.03 2.00 -1.26 -2.13 119.66 125.93 1ujm s GLN 75 Ca 0.62 1.87 0.00 0.00 -2.00 0.00 0.00 55.36 55.85 1ujm s GLN 75 Cb -0.45 -2.58 0.00 0.00 0.80 0.00 0.00 33.01 30.78 1ujm s GLN 75 CO 0.44 -0.45 0.00 0.41 -0.50 0.00 0.00 175.29 175.20 1ujm n GLY 76 N 0.57 0.84 0.37 2.59 0.00 -1.26 -4.92 105.19 103.38 1ujm n GLY 76 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1ujm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujm h ALA 77 N 0.00 2.04 -0.01 4.61 0.00 -1.72 -2.37 119.26 121.80 1ujm h ALA 77 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ujm h ALA 77 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ujm h ALA 77 CO 0.00 -0.20 -0.23 0.66 0.00 0.00 0.00 179.25 179.48 1ujm n TYR 78 N -4.48 0.00 -0.35 0.00 4.02 -1.26 -4.64 117.16 110.46 1ujm n TYR 78 Ca 0.12 0.00 0.24 0.00 -0.01 0.00 0.00 57.90 58.25 1ujm n TYR 78 Cb 0.44 0.00 0.49 0.00 -0.02 0.00 0.00 39.34 40.25 1ujm n TYR 78 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1ujm h ASP 79 N 2.20 0.49 0.00 7.72 5.19 -1.83 0.05 116.42 130.25 1ujm h ASP 79 Ca 0.00 0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.41 1ujm h ASP 79 Cb 0.58 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 1ujm h ASP 79 CO 0.00 -0.00 -0.74 -0.08 -3.12 0.00 0.00 179.24 175.30 1ujm h GLU 80 N 0.38 0.00 0.00 3.56 4.57 -1.82 -3.38 114.58 117.88 1ujm h GLU 80 Ca 0.67 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.83 1ujm h GLU 80 Cb 1.64 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.22 1ujm h GLU 80 CO -0.43 0.86 -0.11 -0.39 -1.18 0.00 0.00 179.01 177.75 1ujm h VAL 81 N -1.00 0.66 0.00 0.32 -1.51 -1.78 -2.55 116.25 110.39 1ujm h VAL 81 Ca -0.19 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1ujm h VAL 81 Cb 1.07 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1ujm h VAL 81 CO -0.12 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 176.33 1ujm n ILE 82 N -3.79 0.24 -1.69 7.19 3.06 -0.02 -4.84 119.36 119.51 1ujm n ILE 82 Ca -0.02 0.06 -0.43 0.00 -2.50 0.00 0.00 62.75 59.86 1ujm n ILE 82 Cb 0.21 -0.62 -0.03 0.00 0.54 0.00 0.00 39.64 39.74 1ujm n ILE 82 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1ujm n LYS 83 N -1.47 2.68 -1.00 9.51 5.02 -0.96 -1.94 118.16 129.99 1ujm n LYS 83 Ca 0.07 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 1ujm n LYS 83 Cb 0.29 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.44 1ujm n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ujm n GLY 84 N 4.18 0.49 3.77 0.72 0.00 -1.26 -5.03 105.19 108.06 1ujm n GLY 84 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1ujm n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujm s ALA 85 N -1.98 3.49 -0.30 4.61 0.00 -0.82 -4.48 121.76 122.28 1ujm s ALA 85 Ca 0.00 0.10 0.22 0.00 0.00 0.00 0.00 51.96 52.27 1ujm s ALA 85 Cb 0.00 -2.78 -0.28 0.00 0.00 0.00 0.00 23.12 20.06 1ujm s ALA 85 CO 0.00 0.21 0.63 0.00 0.00 0.00 0.00 175.76 176.60 1ujm n ALA 86 N 2.44 3.30 -2.87 0.00 0.00 -0.05 -2.49 120.51 120.84 1ujm n ALA 86 Ca -0.07 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.74 1ujm n ALA 86 Cb 0.51 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 19.11 1ujm n ALA 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ujm s GLY 87 N -4.11 -0.08 -0.03 0.00 0.00 -1.18 -0.54 107.32 101.38 1ujm s GLY 87 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.50 1ujm s GLY 87 CO 0.89 -0.41 -0.02 0.14 0.00 0.00 0.00 173.10 173.70 1ujm s VAL 88 N -3.17 0.31 -0.34 1.40 1.01 -0.49 -0.93 120.40 118.19 1ujm s VAL 88 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1ujm s VAL 88 Cb 0.01 -0.36 0.09 0.00 0.00 0.00 0.00 36.38 36.12 1ujm s VAL 88 CO -0.07 0.16 0.06 0.00 0.00 0.00 0.00 175.10 175.25 1ujm s ALA 89 N 0.78 2.90 -0.59 5.51 0.00 0.10 -0.10 121.76 130.36 1ujm s ALA 89 Ca -0.09 -2.31 -0.23 0.00 0.00 0.00 0.00 51.96 49.34 1ujm s ALA 89 Cb -0.12 -2.02 0.06 0.00 0.00 0.00 0.00 23.12 21.04 1ujm s ALA 89 CO -0.01 -1.58 0.90 -1.58 0.00 0.00 0.00 175.76 173.49 1ujm s HIS 90 N 1.05 2.78 0.00 0.00 2.46 -0.38 -1.75 115.29 119.44 1ujm s HIS 90 Ca 0.05 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.24 1ujm s HIS 90 Cb -0.20 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.15 1ujm s HIS 90 CO -0.06 -1.44 0.67 -0.89 -2.47 0.00 0.00 174.74 170.55 1ujm n ILE 91 N 5.98 0.39 -2.18 0.89 5.41 -1.19 -2.05 119.36 126.60 1ujm n ILE 91 Ca -0.02 -0.64 -0.33 0.00 1.00 0.00 0.00 62.75 62.75 1ujm n ILE 91 Cb 0.46 0.86 0.00 0.00 -0.71 0.00 0.00 39.64 40.26 1ujm n ILE 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ujm s ALA 92 N -0.39 2.74 -0.28 -1.39 0.00 -1.14 -4.67 121.76 116.63 1ujm s ALA 92 Ca 0.00 0.54 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 1ujm s ALA 92 Cb 0.00 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.94 1ujm s ALA 92 CO 0.00 -0.72 0.81 -1.12 0.00 0.00 0.00 175.76 174.73 1ujm s SER 93 N -2.38 -0.71 -0.12 0.00 0.01 -1.26 -4.96 113.70 104.28 1ujm s SER 93 Ca 0.66 1.28 -0.16 0.00 1.31 0.00 0.00 55.95 59.04 1ujm s SER 93 Cb -0.18 1.29 -0.05 0.00 0.21 0.00 0.00 66.02 67.30 1ujm s SER 93 CO 0.31 -0.21 0.38 0.68 0.41 0.00 0.00 173.24 174.81 1ujm s VAL 94 N 0.76 5.22 -1.22 3.43 -7.23 -1.26 -4.95 120.40 115.16 1ujm s VAL 94 Ca -0.03 0.75 0.03 0.00 -1.81 0.00 0.00 61.98 60.92 1ujm s VAL 94 Cb -0.05 -3.71 0.14 0.00 0.56 0.00 0.00 36.38 33.31 1ujm s VAL 94 CO -0.07 0.39 0.84 0.52 -0.31 0.00 0.00 175.10 176.46 1ujm n VAL 95 N 3.35 0.39 -1.14 1.32 0.31 -1.26 -4.91 118.33 116.39 1ujm n VAL 95 Ca -0.10 -0.22 -0.53 0.00 -0.01 0.00 0.00 64.34 63.48 1ujm n VAL 95 Cb 0.52 -0.29 -0.10 0.00 -0.91 0.00 0.00 33.84 33.06 1ujm n VAL 95 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ujm n SER 96 N 0.04 0.70 -4.67 4.52 2.88 -1.26 -4.81 113.62 111.01 1ujm n SER 96 Ca 0.05 0.65 -0.39 0.00 -1.33 0.00 0.00 58.87 57.85 1ujm n SER 96 Cb 0.32 -0.77 -0.07 0.00 -0.75 0.00 0.00 64.21 62.94 1ujm n SER 96 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1ujm s PHE 97 N 4.81 3.40 0.00 0.66 2.99 -1.26 -4.86 117.98 123.73 1ujm s PHE 97 Ca 1.02 0.81 0.00 0.00 0.00 0.00 0.00 56.93 58.75 1ujm s PHE 97 Cb -1.29 -2.65 0.00 0.00 0.00 0.00 0.00 43.02 39.08 1ujm s PHE 97 CO 0.59 -0.05 0.00 0.43 -0.00 0.00 0.00 175.22 176.19 1ujm n SER 98 N 4.55 0.00 -2.22 1.36 7.64 -1.26 -5.06 113.62 118.63 1ujm n SER 98 Ca -0.05 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.75 1ujm n SER 98 Cb 0.51 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 1ujm n SER 98 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ujm n ASN 99 N 0.00 3.20 -4.35 6.43 4.13 -1.26 -4.17 115.26 119.24 1ujm n ASN 99 Ca 0.00 -2.10 -0.28 0.00 1.68 0.00 0.00 54.58 53.88 1ujm n ASN 99 Cb 0.00 -0.86 -0.13 0.00 -1.54 0.00 0.00 39.78 37.24 1ujm n ASN 99 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1ujm s LYS 100 N 1.83 1.47 0.00 3.52 2.20 -1.26 -4.91 119.74 122.59 1ujm s LYS 100 Ca 0.40 -1.22 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 1ujm s LYS 100 Cb 0.19 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.69 1ujm s LYS 100 CO -0.00 0.44 0.53 0.98 -0.36 0.00 0.00 175.35 176.94 1ujm n TYR 101 N 1.25 0.00 0.28 4.03 9.36 -1.26 -1.01 117.16 129.81 1ujm n TYR 101 Ca -0.18 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.22 1ujm n TYR 101 Cb 0.53 -0.08 0.91 0.00 -0.63 0.00 0.00 39.34 40.07 1ujm n TYR 101 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1ujm h ASP 102 N 0.00 0.00 0.59 2.98 3.32 -1.95 0.58 116.42 121.94 1ujm h ASP 102 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ujm h ASP 102 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ujm h ASP 102 CO 0.00 0.00 -0.01 -0.62 -1.72 0.00 0.00 179.24 176.89 1ujm n GLU 103 N -3.26 0.41 0.00 3.56 -0.58 -0.18 -3.44 120.64 117.15 1ujm n GLU 103 Ca -0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1ujm n GLU 103 Cb 0.32 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1ujm n GLU 103 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1ujm n VAL 104 N -1.28 0.00 -0.20 2.62 0.24 -0.49 -4.62 118.33 114.60 1ujm n VAL 104 Ca 0.14 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.34 1ujm n VAL 104 Cb 0.25 -0.13 0.02 0.00 -1.47 0.00 0.00 33.84 32.51 1ujm n VAL 104 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ujm h VAL 105 N 0.00 1.26 0.07 3.34 2.07 -1.13 -2.24 116.25 119.62 1ujm h VAL 105 Ca 0.00 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.46 1ujm h VAL 105 Cb 0.21 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1ujm h VAL 105 CO 0.00 0.39 -0.27 0.74 0.02 0.00 0.00 177.57 178.45 1ujm h THR 106 N 0.86 0.39 -0.15 2.57 2.02 -1.73 -1.18 112.91 115.69 1ujm h THR 106 Ca 0.16 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 1ujm h THR 106 Cb 0.51 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1ujm h THR 106 CO 0.02 0.00 -0.28 1.55 0.37 0.00 0.00 175.52 177.18 1ujm h PRO 107 N -0.46 0.29 -0.33 6.66 0.13 -1.80 -0.21 132.00 136.28 1ujm h PRO 107 Ca 0.04 -0.10 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1ujm h PRO 107 Cb 0.51 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 1ujm h PRO 107 CO -0.19 0.55 0.17 0.00 -0.23 0.00 0.00 178.00 178.29 1ujm h ALA 108 N 1.46 0.40 -0.29 -0.56 0.00 -0.95 0.23 119.26 119.55 1ujm h ALA 108 Ca 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ujm h ALA 108 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ujm h ALA 108 CO 0.05 -0.21 -0.02 0.82 0.00 0.00 0.00 179.25 179.89 1ujm h ILE 109 N 0.35 1.27 -0.19 0.00 2.04 -0.98 -2.88 117.51 117.11 1ujm h ILE 109 Ca 0.13 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1ujm h ILE 109 Cb 0.04 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1ujm h ILE 109 CO -0.09 0.32 -0.01 1.23 0.00 0.00 0.00 178.15 179.60 1ujm h GLY 110 N 0.30 0.18 1.52 5.37 0.00 -0.47 -1.80 103.07 108.17 1ujm h GLY 110 Ca 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1ujm h GLY 110 CO 0.02 -0.04 0.12 -1.33 0.00 0.00 0.00 176.54 175.31 1ujm h GLY 111 N 0.05 0.66 0.77 4.60 0.00 -0.60 -1.36 103.07 107.19 1ujm h GLY 111 Ca 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1ujm h GLY 111 CO -0.16 0.32 -0.03 -0.84 0.00 0.00 0.00 176.54 175.83 1ujm h THR 112 N 0.60 1.28 -0.30 4.70 2.02 -1.23 -3.07 112.91 116.91 1ujm h THR 112 Ca 0.14 -0.95 -0.10 0.00 0.77 0.00 0.00 66.41 66.27 1ujm h THR 112 Cb 0.20 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1ujm h THR 112 CO -0.01 0.28 -0.24 -0.07 0.37 0.00 0.00 175.52 175.86 1ujm h LEU 113 N 0.01 0.59 -0.82 2.58 3.38 -1.18 -2.81 115.31 117.07 1ujm h LEU 113 Ca 0.04 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1ujm h LEU 113 Cb 0.44 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1ujm h LEU 113 CO 0.01 0.82 0.51 -1.13 0.09 0.00 0.00 178.44 178.74 1ujm h ASN 114 N 0.52 0.80 -0.31 -0.43 -1.24 -1.21 -0.11 115.58 113.60 1ujm h ASN 114 Ca 0.08 0.01 -0.12 0.00 0.71 0.00 0.00 56.30 56.98 1ujm h ASN 114 Cb 0.69 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 1ujm h ASN 114 CO 0.05 0.53 -0.28 0.00 -1.29 0.00 0.00 177.43 176.44 1ujm h ALA 115 N 1.38 0.45 -0.77 1.57 0.00 -1.44 -2.64 119.26 117.81 1ujm h ALA 115 Ca 0.35 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ujm h ALA 115 Cb 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ujm h ALA 115 CO -0.16 0.46 0.35 -0.07 0.00 0.00 0.00 179.25 179.83 1ujm h LEU 116 N 0.49 1.02 -0.40 0.00 3.38 -1.18 -1.80 115.31 116.83 1ujm h LEU 116 Ca 0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1ujm h LEU 116 Cb 0.85 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1ujm h LEU 116 CO 0.07 0.87 0.14 0.03 0.09 0.00 0.00 178.44 179.65 1ujm h ARG 117 N 1.10 0.61 -0.38 1.13 3.08 -0.98 0.73 114.38 119.67 1ujm h ARG 117 Ca 0.26 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.23 1ujm h ARG 117 Cb 0.15 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1ujm h ARG 117 CO -0.03 0.59 0.15 0.00 -1.07 0.00 0.00 179.97 179.61 1ujm h ALA 118 N 0.99 0.45 -0.74 0.04 0.00 -1.16 -1.70 119.26 117.14 1ujm h ALA 118 Ca 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ujm h ALA 118 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ujm h ALA 118 CO -0.01 -0.23 0.25 0.00 0.00 0.00 0.00 179.25 179.26 1ujm h ALA 119 N 1.23 1.05 -0.88 0.00 0.00 -1.10 -2.76 119.26 116.81 1ujm h ALA 119 Ca 0.17 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ujm h ALA 119 Cb 0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1ujm h ALA 119 CO -0.15 0.65 0.58 0.00 0.00 0.00 0.00 179.25 180.32 1ujm h ALA 120 N 1.19 1.13 -0.09 0.00 0.00 -0.14 -1.99 119.26 119.36 1ujm h ALA 120 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ujm h ALA 120 Cb 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ujm h ALA 120 CO -0.01 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1ujm n ALA 121 N -2.34 2.56 -3.93 0.00 0.00 -0.71 -4.61 120.51 111.49 1ujm n ALA 121 Ca 0.10 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.89 1ujm n ALA 121 Cb 0.04 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 1ujm n ALA 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ujm s THR 122 N -1.88 2.70 0.45 0.00 2.01 -0.75 -4.99 115.64 113.19 1ujm s THR 122 Ca 0.30 -2.87 0.30 0.00 0.31 0.00 0.00 61.69 59.73 1ujm s THR 122 Cb 0.15 -2.89 0.50 0.00 0.01 0.00 0.00 72.50 70.27 1ujm s THR 122 CO 0.24 -0.74 1.67 -0.65 -0.69 0.00 0.00 174.62 174.45 1ujm h PRO 123 N 7.05 0.13 0.00 4.92 0.11 -1.81 -0.37 132.00 142.02 1ujm h PRO 123 Ca -0.06 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 1ujm h PRO 123 Cb 0.95 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ujm h PRO 123 CO 0.64 0.09 -0.14 0.66 -0.21 0.00 0.00 178.00 179.04 1ujm h SER 124 N 0.14 0.00 -3.13 -2.05 4.64 -1.92 -3.41 113.55 107.81 1ujm h SER 124 Ca 0.75 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.50 1ujm h SER 124 Cb 2.41 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.45 1ujm h SER 124 CO -0.30 0.14 1.04 -0.69 -0.87 0.00 0.00 176.83 176.16 1ujm s VAL 125 N -4.35 3.96 -0.21 0.95 1.01 -0.15 -4.06 120.40 117.54 1ujm s VAL 125 Ca -0.03 1.04 0.13 0.00 0.00 0.00 0.00 61.98 63.12 1ujm s VAL 125 Cb 0.14 -4.10 -0.23 0.00 0.00 0.00 0.00 36.38 32.19 1ujm s VAL 125 CO 0.62 -0.57 0.02 0.29 0.00 0.00 0.00 175.10 175.46 1ujm n LYS 126 N 7.72 0.68 -4.50 2.72 5.02 0.30 -4.49 118.16 125.61 1ujm n LYS 126 Ca 0.16 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.29 1ujm n LYS 126 Cb 0.47 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 1ujm n LYS 126 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ujm s ARG 127 N -2.50 1.01 -0.07 1.97 1.81 -1.18 -1.98 118.95 118.00 1ujm s ARG 127 Ca -0.16 -0.57 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 1ujm s ARG 127 Cb 0.07 -0.99 0.02 0.00 -0.45 0.00 0.00 34.95 33.61 1ujm s ARG 127 CO 0.77 0.26 -0.05 0.12 -0.68 0.00 0.00 175.30 175.72 1ujm s PHE 128 N -0.50 1.05 -0.14 -0.53 2.19 -0.56 -1.40 117.98 118.09 1ujm s PHE 128 Ca 0.04 -0.40 0.02 0.00 0.33 0.00 0.00 56.93 56.91 1ujm s PHE 128 Cb -0.06 -0.93 0.01 0.00 -1.31 0.00 0.00 43.02 40.73 1ujm s PHE 128 CO 0.00 -0.33 -0.20 0.54 1.83 0.00 0.00 175.22 177.06 1ujm s VAL 129 N 1.36 2.25 -0.21 3.12 0.11 0.85 -2.10 120.40 125.78 1ujm s VAL 129 Ca -0.03 -0.91 -0.09 0.00 -2.93 0.00 0.00 61.98 58.01 1ujm s VAL 129 Cb -0.14 -1.92 -0.05 0.00 -1.53 0.00 0.00 36.38 32.75 1ujm s VAL 129 CO -0.03 0.54 0.12 -0.22 -3.33 0.00 0.00 175.10 172.18 1ujm s LEU 130 N 0.81 4.02 -0.43 2.54 2.96 -0.19 -1.25 118.68 127.15 1ujm s LEU 130 Ca -0.07 0.12 -0.25 0.00 -0.22 0.00 0.00 54.13 53.71 1ujm s LEU 130 Cb -0.15 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.50 1ujm s LEU 130 CO -0.01 0.12 0.88 -0.89 -1.32 0.00 0.00 176.35 175.13 1ujm s THR 131 N 0.72 4.55 0.00 3.68 2.01 -0.87 -1.08 115.64 124.65 1ujm s THR 131 Ca 0.06 0.77 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1ujm s THR 131 Cb -0.13 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 68.01 1ujm s THR 131 CO 0.02 -0.73 0.00 -0.24 -0.69 0.00 0.00 174.62 172.98 1ujm n SER 132 N 6.95 0.00 -3.53 3.53 2.88 0.91 -4.90 113.62 119.45 1ujm n SER 132 Ca 0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.50 1ujm n SER 132 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 1ujm n SER 132 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ujm s SER 133 N -0.23 -0.36 0.53 -3.46 0.15 -1.26 -4.31 113.70 104.76 1ujm s SER 133 Ca 0.00 0.14 0.35 0.00 0.70 0.00 0.00 55.95 57.14 1ujm s SER 133 Cb 0.00 0.35 1.80 0.00 -1.71 0.00 0.00 66.02 66.46 1ujm s SER 133 CO 0.00 -0.51 2.07 0.71 1.20 0.00 0.00 173.24 176.71 1ujm h THR 134 N 2.19 0.00 0.00 6.45 1.35 -1.53 -1.42 112.91 119.95 1ujm h THR 134 Ca -0.20 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1ujm h THR 134 Cb 1.21 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1ujm h THR 134 CO 0.30 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.90 1ujm n VAL 135 N -2.81 0.92 1.02 6.82 0.24 -1.25 -0.66 118.33 122.61 1ujm n VAL 135 Ca -0.01 0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.73 1ujm n VAL 135 Cb 0.12 -1.25 0.57 0.00 -1.47 0.00 0.00 33.84 31.81 1ujm n VAL 135 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ujm n SER 136 N -2.14 0.00 -0.06 -1.34 3.41 -0.53 -3.37 113.62 109.58 1ujm n SER 136 Ca 0.02 0.15 -0.10 0.00 -0.26 0.00 0.00 58.87 58.67 1ujm n SER 136 Cb 0.18 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 1ujm n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ujm n ALA 137 N -1.36 1.83 -3.58 7.33 0.00 0.16 -1.04 120.51 123.85 1ujm n ALA 137 Ca 0.09 -0.53 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 1ujm n ALA 137 Cb 0.22 0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 1ujm n ALA 137 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1ujm s LEU 138 N -5.96 -0.23 -0.21 0.00 2.34 -0.50 -2.88 118.68 111.24 1ujm s LEU 138 Ca -0.17 -0.07 -0.10 0.00 0.06 0.00 0.00 54.13 53.85 1ujm s LEU 138 Cb 0.05 1.75 -0.05 0.00 -0.56 0.00 0.00 46.19 47.38 1ujm s LEU 138 CO 0.27 -0.49 0.13 -0.63 -1.06 0.00 0.00 176.35 174.58 1ujm s ILE 139 N -2.82 5.36 0.48 1.48 -1.09 -1.26 -3.89 121.20 119.46 1ujm s ILE 139 Ca 0.08 0.17 -0.24 0.00 -2.23 0.00 0.00 60.65 58.44 1ujm s ILE 139 Cb -0.00 -3.46 -0.07 0.00 -1.58 0.00 0.00 42.46 37.35 1ujm s ILE 139 CO -0.06 0.42 1.41 -2.16 -1.23 0.00 0.00 174.94 173.32 1ujm s PRO 140 N 0.50 3.51 -0.20 2.79 0.04 -1.26 -5.02 135.00 135.37 1ujm s PRO 140 Ca 0.08 2.36 -0.03 0.00 0.04 0.00 0.00 61.00 63.45 1ujm s PRO 140 Cb -0.12 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1ujm s PRO 140 CO -0.01 -0.94 0.05 0.21 0.04 0.00 0.00 177.00 176.36 1ujm s LYS 141 N -2.60 0.53 0.64 4.56 2.20 -1.26 -4.93 119.74 118.87 1ujm s LYS 141 Ca 0.64 -0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 55.71 1ujm s LYS 141 Cb -0.43 -2.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 1ujm s LYS 141 CO 0.54 -0.67 1.14 -1.25 -0.36 0.00 0.00 175.35 174.75 1ujm s PRO 142 N 1.91 2.83 -1.29 4.03 0.04 -1.26 -3.60 135.00 137.66 1ujm s PRO 142 Ca 0.00 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1ujm s PRO 142 Cb -0.17 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1ujm s PRO 142 CO -0.10 -1.25 0.00 0.09 0.04 0.00 0.00 177.00 175.78 1ujm n ASN 143 N -2.11 -5.34 -4.46 6.66 3.02 0.01 -4.87 115.26 108.17 1ujm n ASN 143 Ca 0.12 0.30 -0.35 0.00 -0.03 0.00 0.00 54.58 54.62 1ujm n ASN 143 Cb 0.51 -3.91 -0.12 0.00 -0.61 0.00 0.00 39.78 35.65 1ujm n ASN 143 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ujm s VAL 144 N -2.16 3.96 0.55 2.41 1.01 -1.24 -5.04 120.40 119.89 1ujm s VAL 144 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1ujm s VAL 144 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1ujm s VAL 144 CO 0.00 0.45 0.84 -1.61 0.00 0.00 0.00 175.10 174.78 1ujm s GLU 145 N 0.82 3.01 -0.03 2.72 2.02 -1.26 -4.48 118.70 121.51 1ujm s GLU 145 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1ujm s GLU 145 Cb -0.14 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.75 1ujm s GLU 145 CO 0.02 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.14 1ujm n GLY 146 N -2.45 0.47 3.53 -1.39 0.00 -1.26 -5.02 105.19 99.07 1ujm n GLY 146 Ca 0.03 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1ujm n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ujm s ILE 147 N -1.98 4.96 -0.15 -0.61 1.01 -1.26 -5.02 121.20 118.15 1ujm s ILE 147 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.81 1ujm s ILE 147 Cb 0.00 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.45 1ujm s ILE 147 CO 0.00 -0.37 -0.07 -0.47 0.00 0.00 0.00 174.94 174.02 1ujm s TYR 148 N 2.50 1.76 -0.31 3.97 5.04 -1.26 -1.28 117.35 127.77 1ujm s TYR 148 Ca 0.19 -1.05 -0.12 0.00 -2.44 0.00 0.00 57.07 53.64 1ujm s TYR 148 Cb -0.15 -1.36 -0.03 0.00 0.35 0.00 0.00 41.96 40.77 1ujm s TYR 148 CO 0.15 -0.61 0.24 -0.51 -1.34 0.00 0.00 175.55 173.49 1ujm s LEU 149 N 1.61 4.27 0.00 6.97 2.01 0.54 -4.96 118.68 129.12 1ujm s LEU 149 Ca 0.02 -0.18 0.00 0.00 0.01 0.00 0.00 54.13 53.99 1ujm s LEU 149 Cb -0.14 -2.17 0.00 0.00 0.01 0.00 0.00 46.19 43.89 1ujm s LEU 149 CO -0.08 -0.16 0.01 -0.90 1.01 0.00 0.00 176.35 176.22 1ujm n ASP 150 N 5.13 2.52 0.00 2.29 5.68 -1.26 -0.42 116.55 130.49 1ujm n ASP 150 Ca -0.13 -1.89 0.05 0.00 -0.50 0.00 0.00 54.79 52.32 1ujm n ASP 150 Cb 0.51 0.13 0.25 0.00 -1.14 0.00 0.00 41.12 40.88 1ujm n ASP 150 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ujm n GLU 151 N -0.53 0.18 -0.10 0.11 1.02 -1.26 -1.45 120.64 118.61 1ujm n GLU 151 Ca -0.08 0.15 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 1ujm n GLU 151 Cb 0.26 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.31 1ujm n GLU 151 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ujm n LYS 152 N -1.22 1.90 -2.85 3.49 5.02 -1.26 -4.93 118.16 118.31 1ujm n LYS 152 Ca 0.05 -1.83 -0.42 0.00 -2.02 0.00 0.00 58.31 54.10 1ujm n LYS 152 Cb 0.07 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1ujm n LYS 152 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ujm s SER 153 N -1.30 6.99 0.01 4.39 0.01 -0.53 -5.05 113.70 118.23 1ujm s SER 153 Ca 0.26 1.22 0.05 0.00 1.31 0.00 0.00 55.95 58.79 1ujm s SER 153 Cb 0.16 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 1ujm s SER 153 CO 0.23 -0.43 -0.16 0.26 0.41 0.00 0.00 173.24 173.56 1ujm s TRP 154 N 2.23 1.39 -1.37 2.43 0.52 -1.26 -4.40 118.94 118.47 1ujm s TRP 154 Ca 0.40 -0.30 -0.16 0.00 0.02 0.00 0.00 56.10 56.06 1ujm s TRP 154 Cb -0.17 -0.86 0.03 0.00 -1.15 0.00 0.00 33.47 31.32 1ujm s TRP 154 CO 0.12 0.01 2.11 -1.71 0.02 0.00 0.00 176.95 177.50 1ujm n ASN 155 N 2.33 3.97 -0.14 2.95 2.85 -0.21 -4.71 115.26 122.31 1ujm n ASN 155 Ca -0.16 -2.84 -0.07 0.00 -0.11 0.00 0.00 54.58 51.40 1ujm n ASN 155 Cb 0.55 -1.64 0.10 0.00 1.24 0.00 0.00 39.78 40.03 1ujm n ASN 155 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1ujm h LEU 156 N 10.93 0.86 -0.84 1.20 3.38 -1.89 -2.98 115.31 125.97 1ujm h LEU 156 Ca 0.53 -0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.42 1ujm h LEU 156 Cb 0.69 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 1ujm h LEU 156 CO 1.80 0.95 0.41 -0.08 0.09 0.00 0.00 178.44 181.60 1ujm h GLU 157 N 0.81 0.53 -0.33 1.13 4.81 -1.96 -2.08 114.58 117.50 1ujm h GLU 157 Ca 0.15 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1ujm h GLU 157 Cb 0.54 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1ujm h GLU 157 CO 0.03 0.35 0.14 0.66 -0.73 0.00 0.00 179.01 179.47 1ujm h SER 158 N 0.55 0.20 -0.75 1.04 4.64 -1.86 -1.31 113.55 116.06 1ujm h SER 158 Ca 0.47 0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.91 1ujm h SER 158 Cb 0.73 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.73 1ujm h SER 158 CO -0.40 0.15 0.38 0.40 -0.87 0.00 0.00 176.83 176.49 1ujm h ILE 159 N 0.31 0.85 0.30 0.95 2.04 -1.46 0.22 117.51 120.72 1ujm h ILE 159 Ca 0.14 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1ujm h ILE 159 Cb 0.08 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1ujm h ILE 159 CO -0.11 0.12 -0.14 -0.78 0.00 0.00 0.00 178.15 177.23 1ujm h ASP 160 N 0.64 -0.34 -0.92 1.72 3.58 -1.40 -3.32 116.42 116.38 1ujm h ASP 160 Ca 0.37 -0.14 0.07 0.00 0.42 0.00 0.00 57.03 57.75 1ujm h ASP 160 Cb 0.39 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 1ujm h ASP 160 CO -0.27 0.14 0.59 0.11 -2.88 0.00 0.00 179.24 176.93 1ujm h LYS 161 N -1.01 0.98 -0.12 0.28 1.57 -1.16 -1.00 116.57 116.11 1ujm h LYS 161 Ca -0.04 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1ujm h LYS 161 Cb 0.46 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ujm h LYS 161 CO 0.07 0.65 0.28 0.00 -0.57 0.00 0.00 179.45 179.87 1ujm h ALA 162 N 1.52 1.53 0.00 3.86 0.00 -0.65 -1.00 119.26 124.52 1ujm h ALA 162 Ca 0.40 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.95 1ujm h ALA 162 Cb 0.26 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1ujm h ALA 162 CO -0.16 -0.34 -2.31 1.63 0.00 0.00 0.00 179.25 178.07 1ujm n LYS 163 N -3.26 0.56 0.07 0.00 5.02 -0.48 -4.56 118.16 115.50 1ujm n LYS 163 Ca 0.00 0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 1ujm n LYS 163 Cb 0.37 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 1ujm n LYS 163 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ujm h THR 164 N -0.21 1.40 -4.08 -0.18 1.35 -0.91 -3.47 112.91 106.83 1ujm h THR 164 Ca -0.53 -2.53 -0.55 0.00 -0.55 0.00 0.00 66.41 62.24 1ujm h THR 164 Cb 1.73 2.51 0.14 0.00 -1.73 0.00 0.00 68.15 70.80 1ujm h THR 164 CO -0.15 0.75 0.56 -0.76 -0.25 0.00 0.00 175.52 175.68 1ujm s LEU 165 N -7.66 3.72 0.45 3.87 1.43 -0.41 -4.94 118.68 115.14 1ujm s LEU 165 Ca -0.06 2.69 -0.25 0.00 -1.03 0.00 0.00 54.13 55.48 1ujm s LEU 165 Cb 0.08 -4.44 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 1ujm s LEU 165 CO 0.87 -1.76 1.41 -2.84 0.23 0.00 0.00 176.35 174.27 1ujm s PRO 166 N -3.13 3.69 0.62 1.29 0.02 -1.26 -4.88 135.00 131.34 1ujm s PRO 166 Ca 0.77 2.39 0.32 0.00 0.02 0.00 0.00 61.00 64.49 1ujm s PRO 166 Cb -0.39 -2.65 1.82 0.00 0.02 0.00 0.00 34.50 33.31 1ujm s PRO 166 CO 0.43 -0.81 2.14 1.49 -0.33 0.00 0.00 177.00 179.93 1ujm h GLU 167 N 2.32 0.00 -0.46 5.54 4.81 -1.95 0.95 114.58 125.77 1ujm h GLU 167 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1ujm h GLU 167 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1ujm h GLU 167 CO 0.61 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 179.32 1ujm n SER 168 N -3.54 3.56 -4.75 1.04 7.64 -1.26 -4.92 113.62 111.39 1ujm n SER 168 Ca -0.00 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.47 1ujm n SER 168 Cb 0.26 -0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 63.15 1ujm n SER 168 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ujm n ASP 169 N 1.53 3.80 0.33 6.43 -0.08 0.32 -4.87 116.55 124.01 1ujm n ASP 169 Ca 0.21 1.17 0.21 0.00 -1.51 0.00 0.00 54.79 54.86 1ujm n ASP 169 Cb 0.61 -1.59 1.15 0.00 2.34 0.00 0.00 41.12 43.63 1ujm n ASP 169 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ujm h PRO 170 N 4.33 0.00 -0.29 -0.67 0.13 -1.93 -1.81 132.00 131.76 1ujm h PRO 170 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ujm h PRO 170 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ujm h PRO 170 CO 0.76 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.57 1ujm n GLN 171 N -3.22 2.86 0.27 0.86 6.02 -1.26 -4.73 117.38 118.18 1ujm n GLN 171 Ca -0.03 -2.18 -0.16 0.00 -0.01 0.00 0.00 57.00 54.62 1ujm n GLN 171 Cb 0.09 -1.37 -0.08 0.00 1.02 0.00 0.00 30.24 29.90 1ujm n GLN 171 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1ujm h LYS 172 N 1.73 -0.70 -1.01 -1.09 1.63 -1.62 -2.64 116.57 112.87 1ujm h LYS 172 Ca 0.00 0.05 0.08 0.00 -0.85 0.00 0.00 60.65 59.92 1ujm h LYS 172 Cb 0.87 0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 32.58 1ujm h LYS 172 CO 0.05 -0.47 0.65 0.66 -3.45 0.00 0.00 179.45 176.89 1ujm h SER 173 N -0.72 1.02 0.23 4.20 4.64 -1.85 -1.32 113.55 119.74 1ujm h SER 173 Ca -0.05 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1ujm h SER 173 Cb 0.60 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1ujm h SER 173 CO 0.05 0.63 -0.28 0.25 -0.87 0.00 0.00 176.83 176.60 1ujm h LEU 174 N 1.14 -0.77 -1.02 5.97 6.46 -1.86 -0.76 115.31 124.47 1ujm h LEU 174 Ca 0.45 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 58.25 1ujm h LEU 174 Cb 0.23 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1ujm h LEU 174 CO -0.19 -0.39 0.32 -0.50 -0.62 0.00 0.00 178.44 177.05 1ujm h TRP 175 N -0.56 1.02 -0.70 1.25 4.06 -1.09 -0.53 115.95 119.39 1ujm h TRP 175 Ca 0.00 -0.05 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 1ujm h TRP 175 Cb 0.54 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 1ujm h TRP 175 CO -0.20 0.75 0.27 0.28 -3.56 0.00 0.00 178.44 175.98 1ujm h VAL 176 N 1.01 1.25 -0.41 1.49 2.07 -1.01 0.04 116.25 120.68 1ujm h VAL 176 Ca 0.24 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 1ujm h VAL 176 Cb 0.13 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1ujm h VAL 176 CO -0.03 0.32 0.02 0.22 0.02 0.00 0.00 177.57 178.12 1ujm h TYR 177 N 1.01 0.77 -0.90 1.57 5.03 -0.66 -1.51 116.97 122.28 1ujm h TYR 177 Ca 0.23 -0.13 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 1ujm h TYR 177 Cb 0.23 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.26 1ujm h TYR 177 CO 0.02 0.77 0.48 0.00 -1.32 0.00 0.00 178.16 178.10 1ujm h ALA 178 N 0.90 1.15 -0.58 1.82 0.00 -0.79 -1.96 119.26 119.80 1ujm h ALA 178 Ca 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1ujm h ALA 178 Cb 0.45 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ujm h ALA 178 CO 0.02 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.98 1ujm h ALA 179 N 1.26 0.78 -0.89 0.00 0.00 -0.82 -0.63 119.26 118.96 1ujm h ALA 179 Ca 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ujm h ALA 179 Cb 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1ujm h ALA 179 CO -0.05 0.58 0.48 0.66 0.00 0.00 0.00 179.25 180.92 1ujm h SER 180 N 0.89 1.12 -0.24 0.00 4.64 -0.84 0.24 113.55 119.37 1ujm h SER 180 Ca 0.17 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.23 1ujm h SER 180 Cb 0.50 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1ujm h SER 180 CO 0.02 0.90 -0.44 0.11 -0.87 0.00 0.00 176.83 176.55 1ujm h LYS 181 N 1.24 0.72 0.10 4.77 1.79 -1.19 -1.45 116.57 122.55 1ujm h LYS 181 Ca 0.31 -0.46 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1ujm h LYS 181 Cb 0.04 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1ujm h LYS 181 CO -0.05 1.08 -0.05 1.15 -1.08 0.00 0.00 179.45 180.50 1ujm h THR 182 N 0.44 0.97 -0.78 -0.16 2.02 -0.75 -1.72 112.91 112.93 1ujm h THR 182 Ca 0.01 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1ujm h THR 182 Cb 1.05 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1ujm h THR 182 CO 0.10 0.06 0.31 -0.33 0.37 0.00 0.00 175.52 176.03 1ujm h GLU 183 N -0.23 1.16 -0.38 6.66 4.39 -0.58 -0.91 114.58 124.69 1ujm h GLU 183 Ca -0.01 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1ujm h GLU 183 Cb 0.19 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1ujm h GLU 183 CO 0.02 0.93 0.16 0.00 -1.16 0.00 0.00 179.01 178.97 1ujm h ALA 184 N 1.21 0.49 -0.39 3.43 0.00 -1.14 0.87 119.26 123.73 1ujm h ALA 184 Ca 0.26 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1ujm h ALA 184 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ujm h ALA 184 CO -0.02 0.08 -0.31 1.49 0.00 0.00 0.00 179.25 180.49 1ujm h GLU 185 N 0.47 0.90 -0.70 0.00 4.81 -1.16 -1.82 114.58 117.07 1ujm h GLU 185 Ca 0.13 -0.45 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1ujm h GLU 185 Cb 0.17 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1ujm h GLU 185 CO -0.01 1.10 0.44 -0.07 -0.73 0.00 0.00 179.01 179.74 1ujm h LEU 186 N 0.72 0.73 -1.11 1.64 3.38 -0.98 -1.69 115.31 118.00 1ujm h LEU 186 Ca 0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ujm h LEU 186 Cb 0.90 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1ujm h LEU 186 CO 0.08 0.51 0.45 0.00 0.09 0.00 0.00 178.44 179.57 1ujm h ALA 187 N 1.30 1.32 -0.19 1.53 0.00 -0.58 -0.52 119.26 122.11 1ujm h ALA 187 Ca 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ujm h ALA 187 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ujm h ALA 187 CO -0.10 0.57 0.09 0.00 0.00 0.00 0.00 179.25 179.81 1ujm h ALA 188 N 1.41 0.25 -0.43 0.00 0.00 -0.47 -0.81 119.26 119.22 1ujm h ALA 188 Ca 0.28 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ujm h ALA 188 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ujm h ALA 188 CO -0.05 -0.19 -0.19 -1.49 0.00 0.00 0.00 179.25 177.34 1ujm h TRP 189 N 0.18 0.93 -0.40 0.00 4.06 -1.10 -2.74 115.95 116.88 1ujm h TRP 189 Ca 0.07 -0.20 -0.05 0.00 2.06 0.00 0.00 58.89 60.77 1ujm h TRP 189 Cb 0.12 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.04 1ujm h TRP 189 CO -0.02 0.94 0.05 -0.22 -3.56 0.00 0.00 178.44 175.63 1ujm h LYS 190 N 0.73 0.62 -0.98 0.49 3.64 -0.92 -1.49 116.57 118.65 1ujm h LYS 190 Ca 0.11 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ujm h LYS 190 Cb 0.70 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1ujm h LYS 190 CO 0.05 0.60 0.00 0.34 -2.27 0.00 0.00 179.45 178.17 1ujm n PHE 191 N -4.29 0.00 0.00 1.91 -0.00 -0.33 -0.67 117.46 114.08 1ujm n PHE 191 Ca 0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1ujm n PHE 191 Cb 0.23 -0.09 0.00 0.00 -0.00 0.00 0.00 39.48 39.62 1ujm n PHE 191 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1ujm n ASP 193 N 0.58 0.00 0.07 -2.13 2.03 -0.56 -0.90 116.55 115.64 1ujm n ASP 193 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 1ujm n ASP 193 Cb 0.12 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.48 1ujm n ASP 193 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ujm h GLU 194 N 0.00 0.00 0.00 -0.67 5.08 -1.16 -3.37 114.58 114.46 1ujm h GLU 194 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ujm h GLU 194 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ujm h GLU 194 CO 0.00 0.29 -0.76 0.09 -1.00 0.00 0.00 179.01 177.63 1ujm n ASN 195 N -2.93 0.85 -3.34 1.42 3.02 -0.07 -5.05 115.26 109.16 1ujm n ASN 195 Ca -0.06 -0.65 -0.22 0.00 -0.03 0.00 0.00 54.58 53.63 1ujm n ASN 195 Cb 0.77 1.10 0.01 0.00 -0.61 0.00 0.00 39.78 41.05 1ujm n ASN 195 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ujm n LYS 196 N -1.41 -1.25 -1.61 3.52 5.02 -1.23 -4.94 118.16 116.27 1ujm n LYS 196 Ca 0.01 0.70 -0.29 0.00 -2.02 0.00 0.00 58.31 56.71 1ujm n LYS 196 Cb 0.22 -1.63 0.12 0.00 -0.02 0.00 0.00 35.03 33.71 1ujm n LYS 196 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ujm s PRO 197 N -3.62 1.53 0.15 1.97 0.04 -1.26 -4.96 135.00 128.84 1ujm s PRO 197 Ca 0.08 0.34 0.23 0.00 0.04 0.00 0.00 61.00 61.69 1ujm s PRO 197 Cb -0.01 -1.88 0.90 0.00 0.04 0.00 0.00 34.50 33.55 1ujm s PRO 197 CO 0.68 -1.94 1.71 1.58 0.04 0.00 0.00 177.00 179.07 1ujm n HIS 198 N -3.60 0.54 -3.26 0.56 -0.00 -1.26 -4.85 115.22 103.35 1ujm n HIS 198 Ca 0.07 0.19 -0.21 0.00 0.46 0.00 0.00 57.72 58.22 1ujm n HIS 198 Cb 0.59 -0.80 0.00 0.00 -0.12 0.00 0.00 29.99 29.66 1ujm n HIS 198 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 1ujm s PHE 199 N -3.14 3.19 -0.18 1.57 -0.12 -1.26 -4.98 117.98 113.06 1ujm s PHE 199 Ca 0.08 0.01 -0.09 0.00 -0.05 0.00 0.00 56.93 56.88 1ujm s PHE 199 Cb 0.12 -2.13 -0.05 0.00 -0.63 0.00 0.00 43.02 40.33 1ujm s PHE 199 CO 0.44 -0.16 0.12 0.99 -0.05 0.00 0.00 175.22 176.56 1ujm s THR 200 N -2.35 5.32 -0.02 -4.49 2.01 -0.84 -4.98 115.64 110.30 1ujm s THR 200 Ca 0.46 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.61 1ujm s THR 200 Cb -0.10 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1ujm s THR 200 CO 0.34 0.48 0.05 -0.22 -0.69 0.00 0.00 174.62 174.59 1ujm s LEU 201 N 0.06 3.77 0.04 4.42 2.96 -1.26 -1.49 118.68 127.17 1ujm s LEU 201 Ca 0.09 0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1ujm s LEU 201 Cb -0.11 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 1ujm s LEU 201 CO -0.00 0.29 0.08 0.20 -1.32 0.00 0.00 176.35 175.59 1ujm s ASN 202 N -1.56 0.21 -0.01 3.68 0.01 -0.89 -1.06 114.94 115.31 1ujm s ASN 202 Ca 0.21 -0.57 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 1ujm s ASN 202 Cb -0.12 0.22 -0.01 0.00 0.41 0.00 0.00 41.25 41.75 1ujm s ASN 202 CO 0.11 -0.50 -0.11 0.00 -1.51 0.00 0.00 177.10 175.09 1ujm s ALA 203 N -2.64 0.90 -0.16 0.60 0.00 -0.23 -1.02 121.76 119.22 1ujm s ALA 203 Ca -0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 1ujm s ALA 203 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1ujm s ALA 203 CO -0.05 0.21 -0.03 0.08 0.00 0.00 0.00 175.76 175.97 1ujm s VAL 204 N -0.18 3.88 -0.62 0.00 1.01 -0.24 0.22 120.40 124.47 1ujm s VAL 204 Ca 0.03 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1ujm s VAL 204 Cb -0.05 -2.71 0.15 0.00 0.00 0.00 0.00 36.38 33.78 1ujm s VAL 204 CO -0.00 0.48 0.40 -0.76 0.00 0.00 0.00 175.10 175.22 1ujm s LEU 205 N 0.46 4.77 0.54 3.92 1.02 0.86 -0.07 118.68 130.19 1ujm s LEU 205 Ca -0.03 -3.21 -0.18 0.00 0.02 0.00 0.00 54.13 50.72 1ujm s LEU 205 Cb -0.14 -1.72 -0.06 0.00 0.02 0.00 0.00 46.19 44.29 1ujm s LEU 205 CO 0.03 -0.23 1.07 -2.84 0.02 0.00 0.00 176.35 174.39 1ujm s PRO 206 N -0.57 3.49 0.00 1.29 0.02 -1.26 -0.63 135.00 137.34 1ujm s PRO 206 Ca 0.20 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1ujm s PRO 206 Cb -0.19 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1ujm s PRO 206 CO -0.05 -0.69 0.00 -1.71 -0.33 0.00 0.00 177.00 174.22 1ujm n ASN 207 N -1.45 0.00 -4.46 2.53 4.05 -0.78 -1.92 115.26 113.22 1ujm n ASN 207 Ca 0.10 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.69 1ujm n ASN 207 Cb 0.52 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.49 1ujm n ASN 207 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1ujm s TYR 208 N 2.96 2.81 -0.09 1.20 5.04 -0.32 -4.91 117.35 124.04 1ujm s TYR 208 Ca 0.00 -0.43 -0.30 0.00 -2.44 0.00 0.00 57.07 53.90 1ujm s TYR 208 Cb 0.00 -4.06 -0.01 0.00 0.35 0.00 0.00 41.96 38.23 1ujm s TYR 208 CO 0.00 -1.42 1.03 0.99 -1.34 0.00 0.00 175.55 174.81 1ujm s THR 209 N 3.63 4.72 -0.15 4.34 2.01 -1.26 -1.27 115.64 127.67 1ujm s THR 209 Ca 0.22 1.99 0.02 0.00 0.31 0.00 0.00 61.69 64.23 1ujm s THR 209 Cb -0.17 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.08 1ujm s THR 209 CO 0.13 0.01 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.23 1ujm s ILE 210 N 1.99 2.02 -0.09 1.82 1.01 0.36 -3.66 121.20 124.65 1ujm s ILE 210 Ca 0.49 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 1ujm s ILE 210 Cb -0.19 -1.80 0.10 0.00 0.01 0.00 0.00 42.46 40.58 1ujm s ILE 210 CO 0.19 0.54 1.37 -0.83 0.00 0.00 0.00 174.94 176.21 1ujm s GLY 211 N 1.02 -0.22 0.15 6.18 0.00 -1.26 -1.46 107.32 111.74 1ujm s GLY 211 Ca -0.02 0.17 -0.33 0.00 0.00 0.00 0.00 44.72 44.53 1ujm s GLY 211 CO -0.06 6.88 1.64 2.41 0.00 0.00 0.00 173.10 183.96 1ujm n THR 212 N -0.98 0.05 -3.06 0.90 -1.04 -1.22 -4.22 114.28 104.71 1ujm n THR 212 Ca 0.06 -0.01 -0.44 0.00 -2.04 0.00 0.00 64.05 61.63 1ujm n THR 212 Cb 0.58 -1.68 -0.05 0.00 -1.82 0.00 0.00 70.33 67.36 1ujm n THR 212 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ujm s ILE 213 N 1.24 4.72 0.19 12.58 1.01 -1.26 -4.94 121.20 134.74 1ujm s ILE 213 Ca 0.79 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 1ujm s ILE 213 Cb -0.63 -4.43 0.10 0.00 0.01 0.00 0.00 42.46 37.51 1ujm s ILE 213 CO 0.37 -1.01 1.76 -0.26 0.00 0.00 0.00 174.94 175.80 1ujm h PHE 214 N 9.16 0.36 -2.95 3.97 0.05 -1.95 -3.35 116.94 122.23 1ujm h PHE 214 Ca -0.28 0.02 -0.61 0.00 3.82 0.00 0.00 57.97 60.92 1ujm h PHE 214 Cb 1.09 -0.09 -0.40 0.00 2.00 0.00 0.00 35.95 38.55 1ujm h PHE 214 CO 0.82 0.13 -0.74 0.34 -0.18 0.00 0.00 178.31 178.69 1ujm s ASP 215 N -5.41 3.59 0.55 2.17 -1.08 -1.26 -4.97 116.67 110.26 1ujm s ASP 215 Ca -0.13 -2.82 0.24 0.00 -0.52 0.00 0.00 52.55 49.31 1ujm s ASP 215 Cb 0.15 -1.07 1.48 0.00 -1.46 0.00 0.00 42.92 42.02 1ujm s ASP 215 CO 0.73 -0.23 2.11 1.55 0.52 0.00 0.00 175.17 179.85 1ujm h PRO 216 N 6.46 0.00 -0.98 4.34 0.13 -1.92 -0.54 132.00 139.49 1ujm h PRO 216 Ca 0.03 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.24 1ujm h PRO 216 Cb 0.90 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.97 1ujm h PRO 216 CO 0.51 0.00 0.63 1.49 -0.23 0.00 0.00 178.00 180.40 1ujm h GLU 217 N 0.00 1.08 0.00 0.86 4.81 -1.95 -3.20 114.58 116.18 1ujm h GLU 217 Ca 0.09 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ujm h GLU 217 Cb 0.41 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1ujm h GLU 217 CO -0.00 0.72 -0.94 0.25 -0.73 0.00 0.00 179.01 178.30 1ujm n THR 218 N -4.51 0.00 -1.16 0.32 -2.24 -0.91 -4.71 114.28 101.07 1ujm n THR 218 Ca 0.16 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 1ujm n THR 218 Cb 0.21 0.59 0.25 0.00 -2.10 0.00 0.00 70.33 69.29 1ujm n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ujm n GLN 219 N -1.52 2.80 0.00 -0.78 6.02 -0.26 -4.62 117.38 119.01 1ujm n GLN 219 Ca -0.00 -3.03 0.15 0.00 -0.01 0.00 0.00 57.00 54.11 1ujm n GLN 219 Cb 0.16 -1.96 0.74 0.00 1.02 0.00 0.00 30.24 30.20 1ujm n GLN 219 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ujm n SER 220 N -0.63 0.02 -0.49 1.08 7.64 -1.21 -3.21 113.62 116.83 1ujm n SER 220 Ca 0.32 -0.12 0.11 0.00 1.01 0.00 0.00 58.87 60.20 1ujm n SER 220 Cb 1.12 -0.29 0.43 0.00 -1.01 0.00 0.00 64.21 64.46 1ujm n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujm n GLY 221 N 1.30 0.11 3.94 0.23 0.00 -1.26 -3.69 105.19 105.82 1ujm n GLY 221 Ca 0.14 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1ujm n GLY 221 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujm s SER 222 N -1.67 3.48 0.21 1.61 1.04 -1.20 -4.79 113.70 112.38 1ujm s SER 222 Ca 0.34 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.83 1ujm s SER 222 Cb 0.18 -0.31 0.23 0.00 0.10 0.00 0.00 66.02 66.22 1ujm s SER 222 CO 0.28 -2.49 1.82 0.71 0.98 0.00 0.00 173.24 174.54 1ujm h THR 223 N -1.36 1.00 0.00 2.02 1.35 -1.90 0.06 112.91 114.08 1ujm h THR 223 Ca -0.43 -0.25 -0.12 0.00 -0.55 0.00 0.00 66.41 65.06 1ujm h THR 223 Cb 1.25 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 1ujm h THR 223 CO 0.40 0.13 -0.59 0.28 -0.25 0.00 0.00 175.52 175.49 1ujm h SER 224 N 0.73 0.00 -0.13 5.36 0.02 -1.91 -3.09 113.55 114.53 1ujm h SER 224 Ca 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1ujm h SER 224 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1ujm h SER 224 CO -0.16 0.59 0.04 1.23 -1.14 0.00 0.00 176.83 177.40 1ujm h GLY 225 N 1.89 0.21 -7.09 -3.77 0.00 -1.38 -3.42 103.07 89.51 1ujm h GLY 225 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1ujm h GLY 225 CO 0.08 0.12 0.24 0.79 0.00 0.00 0.00 176.54 177.76 1ujm n TRP 226 N -4.88 0.92 0.00 5.60 8.01 -0.12 -4.73 117.44 122.24 1ujm n TRP 226 Ca -0.05 -0.29 0.00 0.00 -1.31 0.00 0.00 57.50 55.84 1ujm n TRP 226 Cb 0.13 -2.40 0.00 0.00 -2.01 0.00 0.00 31.31 27.03 1ujm n TRP 226 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1ujm n SER 229 N 18.42 0.00 -0.12 -0.99 7.64 -1.26 -4.73 113.62 132.58 1ujm n SER 229 Ca 0.42 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.20 1ujm n SER 229 Cb 0.46 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 1ujm n SER 229 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ujm h LEU 230 N 0.00 0.51 -1.04 -3.43 5.85 -1.85 -1.55 115.31 113.80 1ujm h LEU 230 Ca 0.00 -0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.64 1ujm h LEU 230 Cb 0.00 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 1ujm h LEU 230 CO 0.00 0.57 0.63 0.15 -0.34 0.00 0.00 178.44 179.45 1ujm h PHE 231 N 0.41 1.11 -0.01 1.25 3.57 -1.86 0.50 116.94 121.92 1ujm h PHE 231 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ujm h PHE 231 Cb 0.24 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1ujm h PHE 231 CO 0.01 0.44 0.00 0.09 -2.23 0.00 0.00 178.31 176.62 1ujm n ASN 232 N -4.61 0.05 0.00 0.41 3.02 -0.91 -4.89 115.26 108.34 1ujm n ASN 232 Ca 0.19 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1ujm n ASN 232 Cb 0.36 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 1ujm n ASN 232 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujm n GLY 233 N 0.75 1.19 3.70 7.41 0.00 0.17 -5.07 105.19 113.34 1ujm n GLY 233 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1ujm n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ujm s GLU 234 N -0.67 4.52 -0.40 1.61 2.02 -0.63 -4.82 118.70 120.33 1ujm s GLU 234 Ca 0.00 1.43 -0.06 0.00 0.02 0.00 0.00 54.97 56.36 1ujm s GLU 234 Cb 0.00 -3.48 0.09 0.00 0.10 0.00 0.00 34.13 30.84 1ujm s GLU 234 CO 0.00 -0.13 0.21 0.08 0.02 0.00 0.00 175.26 175.44 1ujm s VAL 235 N 1.27 3.75 -0.26 2.63 1.01 -1.26 -3.69 120.40 123.85 1ujm s VAL 235 Ca 0.52 -1.61 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 1ujm s VAL 235 Cb -0.21 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1ujm s VAL 235 CO 0.26 -0.51 0.34 -0.55 0.00 0.00 0.00 175.10 174.64 1ujm s SER 236 N 1.92 6.24 0.31 3.32 0.15 -1.26 -4.97 113.70 119.41 1ujm s SER 236 Ca 0.03 0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.99 1ujm s SER 236 Cb -0.23 -2.20 0.59 0.00 -1.71 0.00 0.00 66.02 62.48 1ujm s SER 236 CO -0.00 -0.14 1.88 -0.65 1.20 0.00 0.00 173.24 175.53 1ujm h PRO 237 N 8.05 0.93 -0.77 5.44 0.11 -1.97 0.24 132.00 144.03 1ujm h PRO 237 Ca -0.33 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 65.84 1ujm h PRO 237 Cb 1.17 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 1ujm h PRO 237 CO 0.64 0.61 0.50 0.00 -0.21 0.00 0.00 178.00 179.55 1ujm h ALA 238 N 1.53 1.89 0.00 -0.75 0.00 -1.99 0.20 119.26 120.15 1ujm h ALA 238 Ca 0.43 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1ujm h ALA 238 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ujm h ALA 238 CO -0.19 -0.07 -0.24 1.25 0.00 0.00 0.00 179.25 180.00 1ujm h LEU 239 N 0.60 0.00 -2.14 0.00 5.85 -1.52 -3.35 115.31 114.76 1ujm h LEU 239 Ca 0.36 -0.65 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1ujm h LEU 239 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1ujm h LEU 239 CO -0.14 0.97 0.18 0.00 -0.34 0.00 0.00 178.44 179.11 1ujm h ALA 240 N -0.35 2.00 -0.73 1.25 0.00 -0.73 -3.45 119.26 117.25 1ujm h ALA 240 Ca -0.06 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 1ujm h ALA 240 Cb 0.82 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1ujm h ALA 240 CO -0.04 -0.28 1.62 -0.51 0.00 0.00 0.00 179.25 180.04 1ujm s LEU 241 N -8.26 3.47 0.26 0.00 1.43 0.69 -5.03 118.68 111.24 1ujm s LEU 241 Ca -0.05 -1.94 0.06 0.00 -1.03 0.00 0.00 54.13 51.16 1ujm s LEU 241 Cb 0.17 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 1ujm s LEU 241 CO 0.62 -2.02 -0.04 -2.16 0.23 0.00 0.00 176.35 172.99 1ujm s PRO 243 N 5.32 1.47 0.56 1.29 0.04 -1.26 -5.10 135.00 137.31 1ujm s PRO 243 Ca 0.60 -1.74 -0.21 0.00 0.04 0.00 0.00 61.00 59.68 1ujm s PRO 243 Cb 0.01 -0.96 -0.05 0.00 0.04 0.00 0.00 34.50 33.54 1ujm s PRO 243 CO 0.08 -0.01 1.31 -2.30 0.04 0.00 0.00 177.00 176.12 1ujm n PRO 244 N -0.52 1.55 0.00 0.56 -0.02 -1.26 -4.96 135.00 130.35 1ujm n PRO 244 Ca -0.05 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1ujm n PRO 244 Cb 0.63 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1ujm n PRO 244 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ujm n GLN 245 N -1.10 0.00 -3.97 -0.52 10.64 -0.87 -4.59 117.38 116.97 1ujm n GLN 245 Ca 0.11 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.94 1ujm n GLN 245 Cb 0.45 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.77 1ujm n GLN 245 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1ujm s TYR 246 N -2.38 3.48 0.45 2.61 1.51 -1.26 -0.57 117.35 121.18 1ujm s TYR 246 Ca 0.00 0.36 0.07 0.00 -1.01 0.00 0.00 57.07 56.49 1ujm s TYR 246 Cb 0.00 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1ujm s TYR 246 CO 0.00 0.64 0.37 1.52 -1.11 0.00 0.00 175.55 176.97 1ujm s TYR 247 N -1.20 2.41 -0.28 2.71 1.13 -0.26 -1.17 117.35 120.69 1ujm s TYR 247 Ca 0.23 -0.59 -0.23 0.00 -1.41 0.00 0.00 57.07 55.06 1ujm s TYR 247 Cb -0.12 -2.09 0.09 0.00 -1.10 0.00 0.00 41.96 38.74 1ujm s TYR 247 CO 0.13 -0.20 0.83 0.54 -2.51 0.00 0.00 175.55 174.34 1ujm s VAL 248 N -2.56 0.00 0.31 -3.49 0.11 -0.39 -0.82 120.40 113.55 1ujm s VAL 248 Ca 0.45 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.21 1ujm s VAL 248 Cb -0.02 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.73 1ujm s VAL 248 CO 0.26 0.00 1.38 -0.55 -3.33 0.00 0.00 175.10 172.86 1ujm s SER 249 N 0.57 6.67 0.39 3.54 0.15 -1.26 -0.49 113.70 123.27 1ujm s SER 249 Ca -0.01 2.74 0.06 0.00 0.70 0.00 0.00 55.95 59.44 1ujm s SER 249 Cb -0.05 -2.64 0.79 0.00 -1.71 0.00 0.00 66.02 62.40 1ujm s SER 249 CO -0.05 -0.64 2.02 0.00 1.20 0.00 0.00 173.24 175.77 1ujm h ALA 250 N 3.87 1.63 -0.34 5.45 0.00 -1.60 -0.46 119.26 127.82 1ujm h ALA 250 Ca -0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1ujm h ALA 250 Cb 1.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1ujm h ALA 250 CO 0.69 0.32 0.08 0.28 0.00 0.00 0.00 179.25 180.62 1ujm h VAL 251 N 0.58 1.22 -0.29 0.00 2.07 -1.91 -2.07 116.25 115.85 1ujm h VAL 251 Ca 0.15 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 1ujm h VAL 251 Cb 0.00 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1ujm h VAL 251 CO -0.03 0.26 -0.16 0.44 0.02 0.00 0.00 177.57 178.10 1ujm h ASP 252 N 0.39 0.51 -0.56 0.57 3.32 -1.71 -1.57 116.42 117.37 1ujm h ASP 252 Ca 0.10 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1ujm h ASP 252 Cb 0.31 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1ujm h ASP 252 CO 0.00 0.69 0.04 0.40 -1.72 0.00 0.00 179.24 178.66 1ujm h ILE 253 N 0.47 1.26 -0.57 0.35 1.08 -0.95 0.52 117.51 119.67 1ujm h ILE 253 Ca 0.08 -1.06 -0.09 0.00 -0.39 0.00 0.00 64.86 63.41 1ujm h ILE 253 Cb 0.56 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 1ujm h ILE 253 CO 0.04 0.39 0.01 1.23 -0.69 0.00 0.00 178.15 179.13 1ujm h GLY 254 N 1.01 1.05 1.35 5.37 0.00 -0.97 -2.37 103.07 108.52 1ujm h GLY 254 Ca 0.18 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 1ujm h GLY 254 CO 0.02 0.68 -0.20 1.41 0.00 0.00 0.00 176.54 178.45 1ujm h LEU 255 N 0.90 0.76 -0.62 3.11 3.38 -0.80 -1.52 115.31 120.52 1ujm h LEU 255 Ca 0.17 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1ujm h LEU 255 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1ujm h LEU 255 CO 0.02 0.95 0.18 -0.07 0.09 0.00 0.00 178.44 179.62 1ujm h LEU 256 N 0.67 0.92 -0.31 1.67 3.38 -0.68 0.71 115.31 121.67 1ujm h LEU 256 Ca 0.10 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1ujm h LEU 256 Cb 0.70 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1ujm h LEU 256 CO 0.05 0.89 0.09 0.45 0.09 0.00 0.00 178.44 180.01 1ujm h HIS 257 N 0.90 0.50 -0.71 1.13 3.86 -1.25 -1.32 115.15 118.26 1ujm h HIS 257 Ca 0.20 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.41 1ujm h HIS 257 Cb 0.31 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 1ujm h HIS 257 CO 0.02 0.51 0.41 1.25 0.86 0.00 0.00 177.93 180.99 1ujm h LEU 258 N 0.33 0.62 -0.95 2.43 5.85 -1.01 -1.82 115.31 120.76 1ujm h LEU 258 Ca 0.10 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1ujm h LEU 258 Cb 0.26 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1ujm h LEU 258 CO -0.00 0.40 0.63 1.23 -0.34 0.00 0.00 178.44 180.36 1ujm h GLY 259 N 0.76 1.34 2.00 3.75 0.00 -0.45 -1.57 103.07 108.91 1ujm h GLY 259 Ca 0.31 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1ujm h GLY 259 CO -0.17 0.48 -0.30 0.00 0.00 0.00 0.00 176.54 176.55 1ujm h LEU 261 N 0.00 0.06 0.00 0.00 3.38 -0.68 -3.42 115.31 114.65 1ujm h LEU 261 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ujm h LEU 261 Cb 0.70 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1ujm h LEU 261 CO 0.04 1.07 -0.57 1.33 0.09 0.00 0.00 178.44 180.39 1ujm n VAL 262 N -3.28 0.00 -2.70 1.22 0.24 -0.65 -4.49 118.33 108.66 1ujm n VAL 262 Ca -0.07 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.66 1ujm n VAL 262 Cb 0.99 0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 1ujm n VAL 262 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ujm s LEU 263 N -2.32 4.23 0.43 1.34 1.43 -0.39 -0.58 118.68 122.83 1ujm s LEU 263 Ca 0.00 1.49 0.13 0.00 -1.03 0.00 0.00 54.13 54.72 1ujm s LEU 263 Cb 0.00 -3.53 0.94 0.00 0.03 0.00 0.00 46.19 43.63 1ujm s LEU 263 CO 0.00 -0.46 1.97 1.55 0.23 0.00 0.00 176.35 179.64 1ujm h PRO 264 N 7.14 0.07 -0.00 1.29 0.13 -1.88 -2.77 132.00 135.97 1ujm h PRO 264 Ca -0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ujm h PRO 264 Cb 1.14 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ujm h PRO 264 CO 0.86 0.23 -0.00 0.00 -0.23 0.00 0.00 178.00 178.87 1ujm n GLN 265 N -4.31 1.05 -3.69 0.86 0.00 -1.26 -4.63 117.38 105.39 1ujm n GLN 265 Ca -0.02 -0.12 -0.38 0.00 0.00 0.00 0.00 57.00 56.48 1ujm n GLN 265 Cb 0.25 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.88 1ujm n GLN 265 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1ujm s ILE 266 N -2.04 3.77 -0.00 -0.39 -1.09 -1.05 -5.06 121.20 115.34 1ujm s ILE 266 Ca 0.45 -1.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.23 1ujm s ILE 266 Cb 0.22 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1ujm s ILE 266 CO 0.37 -0.54 0.00 -1.61 -1.23 0.00 0.00 174.94 171.94 1ujm s GLU 267 N 1.31 -0.00 -1.45 2.79 2.02 -1.26 -4.89 118.70 117.21 1ujm s GLU 267 Ca 0.04 0.03 -0.06 0.00 0.02 0.00 0.00 54.97 55.00 1ujm s GLU 267 Cb -0.23 -0.04 0.04 0.00 0.10 0.00 0.00 34.13 34.01 1ujm s GLU 267 CO -0.01 -0.02 0.66 0.54 0.02 0.00 0.00 175.26 176.45 1ujm n ARG 268 N 3.24 -4.12 -4.32 1.61 1.74 -0.22 -4.98 116.66 109.60 1ujm n ARG 268 Ca -0.14 0.49 -0.27 0.00 -0.77 0.00 0.00 57.85 57.16 1ujm n ARG 268 Cb 0.59 -4.97 -0.10 0.00 -1.02 0.00 0.00 32.46 26.95 1ujm n ARG 268 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ujm s ARG 269 N -6.48 1.89 -0.35 5.56 1.81 -1.25 -5.01 118.95 115.11 1ujm s ARG 269 Ca 0.25 -1.31 -0.05 0.00 -1.72 0.00 0.00 55.73 52.90 1ujm s ARG 269 Cb -0.13 -2.08 0.06 0.00 -0.45 0.00 0.00 34.95 32.35 1ujm s ARG 269 CO 0.86 0.43 0.12 1.03 -0.68 0.00 0.00 175.30 177.07 1ujm s ARG 270 N -2.67 2.48 -0.46 3.54 0.52 -1.26 -1.06 118.95 120.03 1ujm s ARG 270 Ca 0.23 -1.35 -0.17 0.00 -0.52 0.00 0.00 55.73 53.92 1ujm s ARG 270 Cb -0.09 -3.47 0.04 0.00 0.52 0.00 0.00 34.95 31.96 1ujm s ARG 270 CO 0.13 -0.77 0.47 0.08 0.02 0.00 0.00 175.30 175.23 1ujm s VAL 271 N 1.33 5.08 0.01 3.52 1.01 0.13 -4.81 120.40 126.67 1ujm s VAL 271 Ca -0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1ujm s VAL 271 Cb -0.21 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1ujm s VAL 271 CO 0.01 -0.56 1.28 -0.31 0.00 0.00 0.00 175.10 175.52 1ujm s TYR 272 N 2.11 3.16 -1.11 5.22 2.02 -1.26 -0.10 117.35 127.39 1ujm s TYR 272 Ca 0.10 1.09 -0.08 0.00 -0.37 0.00 0.00 57.07 57.82 1ujm s TYR 272 Cb -0.20 -3.52 0.29 0.00 -0.40 0.00 0.00 41.96 38.13 1ujm s TYR 272 CO 0.11 -1.75 1.24 0.41 -1.57 0.00 0.00 175.55 173.99 1ujm n GLY 273 N 3.42 4.51 2.59 0.71 0.00 0.20 -4.78 105.19 111.84 1ujm n GLY 273 Ca 0.11 -2.61 -0.29 0.00 0.00 0.00 0.00 46.02 43.23 1ujm n GLY 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ujm s THR 274 N -1.73 0.58 -0.06 2.61 -4.23 -1.26 -1.88 115.64 109.67 1ujm s THR 274 Ca 0.31 -1.73 -0.25 0.00 -1.18 0.00 0.00 61.69 58.84 1ujm s THR 274 Cb -0.05 -1.43 -0.23 0.00 1.34 0.00 0.00 72.50 72.13 1ujm s THR 274 CO -0.02 -0.87 1.02 0.00 -0.54 0.00 0.00 174.62 174.21 1ujm h ALA 275 N 7.35 0.03 -2.15 3.99 0.00 -1.33 -3.49 119.26 123.66 1ujm h ALA 275 Ca -0.03 -0.46 0.20 0.00 0.00 0.00 0.00 54.91 54.62 1ujm h ALA 275 Cb 0.97 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 1ujm h ALA 275 CO 0.39 0.06 0.55 0.20 0.00 0.00 0.00 179.25 180.45 1ujm s GLY 276 N -3.90 -0.29 0.68 0.00 0.00 -1.23 -5.00 107.32 97.58 1ujm s GLY 276 Ca -0.16 0.36 -0.11 0.00 0.00 0.00 0.00 44.72 44.80 1ujm s GLY 276 CO 0.73 0.07 1.07 -0.51 0.00 0.00 0.00 173.10 174.47 1ujm s THR 277 N -3.09 3.88 0.07 0.90 -4.23 -1.26 -1.10 115.64 110.81 1ujm s THR 277 Ca 0.12 0.60 -0.27 0.00 -1.18 0.00 0.00 61.69 60.96 1ujm s THR 277 Cb -0.00 -3.60 0.08 0.00 1.34 0.00 0.00 72.50 70.32 1ujm s THR 277 CO -0.00 -0.79 0.92 0.72 -0.54 0.00 0.00 174.62 174.92 1ujm s PHE 278 N -3.29 -0.25 0.16 3.99 -0.12 0.26 -4.80 117.98 113.93 1ujm s PHE 278 Ca 0.57 0.03 -0.08 0.00 -0.05 0.00 0.00 56.93 57.40 1ujm s PHE 278 Cb -0.11 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1ujm s PHE 278 CO 0.52 -0.68 0.26 0.16 -0.05 0.00 0.00 175.22 175.43 1ujm s ASP 279 N -2.71 0.07 0.46 1.98 3.84 -1.26 -2.06 116.67 116.99 1ujm s ASP 279 Ca 0.08 -0.89 0.18 0.00 -0.00 0.00 0.00 52.55 51.93 1ujm s ASP 279 Cb -0.01 0.42 1.16 0.00 -1.38 0.00 0.00 42.92 43.11 1ujm s ASP 279 CO -0.04 -0.87 1.97 -0.50 -0.00 0.00 0.00 175.17 175.73 1ujm h TRP 280 N 2.58 0.30 -0.08 2.11 4.06 -1.96 -1.15 115.95 121.82 1ujm h TRP 280 Ca -0.32 0.01 -0.13 0.00 2.06 0.00 0.00 58.89 60.51 1ujm h TRP 280 Cb 1.22 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1ujm h TRP 280 CO 0.40 0.13 -0.53 -0.91 -3.56 0.00 0.00 178.44 173.97 1ujm h ASN 281 N 0.27 0.24 0.68 -3.49 2.35 -1.96 0.34 115.58 114.00 1ujm h ASN 281 Ca 0.29 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 1ujm h ASN 281 Cb 0.78 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1ujm h ASN 281 CO -0.07 0.73 -0.61 0.71 -1.65 0.00 0.00 177.43 176.55 1ujm h THR 282 N 0.17 1.38 -0.19 2.81 1.35 -1.63 -0.55 112.91 116.24 1ujm h THR 282 Ca 0.00 -2.12 -0.09 0.00 -0.55 0.00 0.00 66.41 63.66 1ujm h THR 282 Cb 1.00 2.16 -0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1ujm h THR 282 CO 0.08 0.59 -0.24 0.58 -0.25 0.00 0.00 175.52 176.29 1ujm h VAL 283 N 0.00 1.34 -0.68 6.82 2.07 -1.02 -2.15 116.25 122.63 1ujm h VAL 283 Ca -0.01 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 1ujm h VAL 283 Cb 1.11 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1ujm h VAL 283 CO 0.08 0.43 0.23 -0.07 0.02 0.00 0.00 177.57 178.26 1ujm h LEU 284 N 0.15 0.94 -1.03 2.57 3.38 -0.77 -1.27 115.31 119.28 1ujm h LEU 284 Ca 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ujm h LEU 284 Cb 0.80 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1ujm h LEU 284 CO 0.06 0.87 0.58 0.00 0.09 0.00 0.00 178.44 180.04 1ujm h ALA 285 N 1.26 1.28 -0.32 1.53 0.00 -0.99 -1.17 119.26 120.85 1ujm h ALA 285 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ujm h ALA 285 Cb 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ujm h ALA 285 CO -0.01 0.64 -0.01 1.15 0.00 0.00 0.00 179.25 181.01 1ujm h THR 286 N 1.27 1.26 -0.21 0.00 2.02 -0.72 -2.17 112.91 114.35 1ujm h THR 286 Ca 0.34 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.57 1ujm h THR 286 Cb -0.10 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1ujm h THR 286 CO -0.07 0.32 -0.05 -0.26 0.37 0.00 0.00 175.52 175.84 1ujm h PHE 287 N 0.37 -0.10 -0.85 3.16 0.04 -0.75 -0.35 116.94 118.46 1ujm h PHE 287 Ca 0.09 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.94 1ujm h PHE 287 Cb 0.46 0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.64 1ujm h PHE 287 CO 0.04 -0.08 0.56 0.00 -0.60 0.00 0.00 178.31 178.22 1ujm h ARG 288 N 0.01 0.92 -0.07 1.51 3.08 -1.12 0.14 114.38 118.85 1ujm h ARG 288 Ca 0.10 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 1ujm h ARG 288 Cb 0.15 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1ujm h ARG 288 CO -0.21 0.61 -0.79 -0.22 -1.07 0.00 0.00 179.97 178.29 1ujm h LYS 289 N 0.95 0.49 -0.03 0.04 3.64 -0.82 -2.46 116.57 118.37 1ujm h LYS 289 Ca 0.37 -0.42 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1ujm h LYS 289 Cb 0.22 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1ujm h LYS 289 CO -0.13 1.06 -0.71 -0.07 -2.27 0.00 0.00 179.45 177.33 1ujm h LEU 290 N 0.32 0.19 -6.37 5.20 3.38 -0.31 -3.36 115.31 114.35 1ujm h LEU 290 Ca -0.05 -0.12 -0.59 0.00 0.09 0.00 0.00 57.88 57.21 1ujm h LEU 290 Cb 1.39 -0.06 -0.40 0.00 0.09 0.00 0.00 40.66 41.68 1ujm h LEU 290 CO 0.14 0.83 -0.82 -1.22 0.09 0.00 0.00 178.44 177.46 1ujm n TYR 291 N -3.77 1.39 0.18 1.13 4.01 0.43 -1.50 117.16 119.04 1ujm n TYR 291 Ca -0.02 -3.83 0.18 0.00 -0.16 0.00 0.00 57.90 54.07 1ujm n TYR 291 Cb 0.69 -0.33 0.81 0.00 -0.31 0.00 0.00 39.34 40.20 1ujm n TYR 291 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ujm h PRO 292 N 4.72 0.00 0.00 -0.72 0.13 -1.60 -2.12 132.00 132.42 1ujm h PRO 292 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ujm h PRO 292 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1ujm h PRO 292 CO 0.60 0.00 -1.07 0.43 -0.23 0.00 0.00 178.00 177.73 1ujm n SER 293 N -3.62 0.61 -4.80 1.44 7.64 -1.26 -4.96 113.62 108.67 1ujm n SER 293 Ca 0.03 -0.30 -0.35 0.00 1.01 0.00 0.00 58.87 59.26 1ujm n SER 293 Cb 0.44 0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 64.45 1ujm n SER 293 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ujm s LYS 294 N -3.19 4.37 -0.12 1.43 2.20 -0.80 -5.05 119.74 118.58 1ujm s LYS 294 Ca 0.04 1.16 -0.16 0.00 -0.36 0.00 0.00 55.97 56.64 1ujm s LYS 294 Cb 0.15 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1ujm s LYS 294 CO 0.81 0.15 0.41 0.99 -0.36 0.00 0.00 175.35 177.36 1ujm s THR 295 N -1.87 5.21 0.24 3.43 2.01 -1.26 -4.98 115.64 118.42 1ujm s THR 295 Ca 0.55 0.81 0.07 0.00 0.31 0.00 0.00 61.69 63.43 1ujm s THR 295 Cb -0.14 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 1ujm s THR 295 CO 0.19 0.37 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.02 1ujm s PHE 296 N 0.40 1.83 0.75 4.92 0.08 -1.26 -4.86 117.98 119.83 1ujm s PHE 296 Ca 0.23 -0.63 -0.15 0.00 0.12 0.00 0.00 56.93 56.49 1ujm s PHE 296 Cb -0.15 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.39 1ujm s PHE 296 CO 0.09 0.32 1.04 -2.30 -0.10 0.00 0.00 175.22 174.27 1ujm n PRO 297 N -0.48 0.42 -1.74 0.24 -0.02 -1.26 -4.97 135.00 127.20 1ujm n PRO 297 Ca -0.07 0.21 -0.31 0.00 -2.02 0.00 0.00 63.50 61.31 1ujm n PRO 297 Cb 0.62 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1ujm n PRO 297 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ujm s ALA 298 N -1.90 2.82 0.56 3.55 0.00 -1.26 -4.99 121.76 120.54 1ujm s ALA 298 Ca 0.73 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 1ujm s ALA 298 Cb -0.33 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1ujm s ALA 298 CO 0.50 -1.08 1.19 -0.25 0.00 0.00 0.00 175.76 176.13 1ujm n ASP 299 N -3.01 1.88 -4.92 0.00 9.92 -1.26 -5.00 116.55 114.16 1ujm n ASP 299 Ca 0.07 0.92 -0.26 0.00 -0.53 0.00 0.00 54.79 54.98 1ujm n ASP 299 Cb 0.55 -1.49 0.03 0.00 -0.64 0.00 0.00 41.12 39.56 1ujm n ASP 299 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1ujm s PHE 300 N -1.36 3.24 0.52 1.24 0.08 -1.26 -5.02 117.98 115.41 1ujm s PHE 300 Ca 0.73 0.58 -0.22 0.00 0.12 0.00 0.00 56.93 58.14 1ujm s PHE 300 Cb -0.43 -2.70 -0.07 0.00 -0.57 0.00 0.00 43.02 39.26 1ujm s PHE 300 CO 0.48 -0.78 1.20 -2.30 -0.10 0.00 0.00 175.22 173.72 1ujm n PRO 301 N -2.53 1.52 -1.68 0.24 -0.02 -1.26 -4.83 135.00 126.44 1ujm n PRO 301 Ca 0.04 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 1ujm n PRO 301 Cb 0.58 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1ujm n PRO 301 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ujm n ASP 302 N -0.50 4.06 -1.46 2.55 2.03 -1.26 -4.88 116.55 117.09 1ujm n ASP 302 Ca 0.10 0.96 0.01 0.00 0.52 0.00 0.00 54.79 56.38 1ujm n ASP 302 Cb 0.43 -1.53 0.28 0.00 -0.72 0.00 0.00 41.12 39.58 1ujm n ASP 302 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1ujm n GLN 303 N 6.16 3.24 0.00 -0.67 7.27 -1.26 -5.08 117.38 127.04 1ujm n GLN 303 Ca 0.19 -3.03 0.00 0.00 0.07 0.00 0.00 57.00 54.23 1ujm n GLN 303 Cb 0.38 -2.03 0.00 0.00 2.41 0.00 0.00 30.24 31.00 1ujm n GLN 303 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ujm n GLY 304 N -0.38 -0.89 3.23 1.69 0.00 -1.26 -4.70 105.19 102.88 1ujm n GLY 304 Ca 0.32 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1ujm n GLY 304 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ujm s GLN 305 N 0.00 0.77 -0.45 1.61 -2.07 -1.26 -4.89 119.66 113.37 1ujm s GLN 305 Ca 0.00 -0.52 -0.29 0.00 -1.82 0.00 0.00 55.36 52.73 1ujm s GLN 305 Cb 0.00 0.33 0.03 0.00 -1.09 0.00 0.00 33.01 32.28 1ujm s GLN 305 CO 0.00 -0.24 1.11 0.34 -1.32 0.00 0.00 175.29 175.17 1ujm s ASP 306 N -2.03 6.68 0.00 12.60 -1.08 -1.26 -0.81 116.67 130.76 1ujm s ASP 306 Ca -0.05 0.55 0.23 0.00 -0.52 0.00 0.00 52.55 52.75 1ujm s ASP 306 Cb -0.01 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.40 1ujm s ASP 306 CO -0.03 -1.16 1.43 0.18 0.52 0.00 0.00 175.17 176.11 1ujm n LEU 307 N 7.59 2.89 -4.83 -1.34 4.77 -1.26 -4.98 117.00 119.85 1ujm n LEU 307 Ca 0.11 -1.19 -0.31 0.00 -0.03 0.00 0.00 56.01 54.60 1ujm n LEU 307 Cb 0.49 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1ujm n LEU 307 CO 0.69 0.60 0.71 -0.94 -1.33 0.00 0.00 177.39 177.12 1ujm s SER 308 N -1.60 5.25 0.01 -1.43 1.04 -1.26 -4.72 113.70 110.98 1ujm s SER 308 Ca 0.36 1.48 0.03 0.00 0.48 0.00 0.00 55.95 58.30 1ujm s SER 308 Cb 0.21 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.98 1ujm s SER 308 CO 0.30 -1.51 -0.09 -0.54 0.98 0.00 0.00 173.24 172.38 1ujm s LYS 309 N -5.11 0.72 0.02 4.02 -0.14 -0.41 -5.03 119.74 113.82 1ujm s LYS 309 Ca 0.58 -0.43 0.05 0.00 -1.36 0.00 0.00 55.97 54.81 1ujm s LYS 309 Cb -0.14 -0.69 -0.03 0.00 -1.68 0.00 0.00 37.83 35.30 1ujm s LYS 309 CO 0.54 0.18 -0.11 -0.06 -0.76 0.00 0.00 175.35 175.15 1ujm s PHE 310 N -0.43 2.77 -0.91 3.18 0.08 -1.26 -0.34 117.98 121.07 1ujm s PHE 310 Ca 0.02 -0.12 -0.23 0.00 0.12 0.00 0.00 56.93 56.72 1ujm s PHE 310 Cb -0.05 -1.56 0.06 0.00 -0.57 0.00 0.00 43.02 40.90 1ujm s PHE 310 CO -0.00 0.32 1.32 0.34 -0.10 0.00 0.00 175.22 177.10 1ujm s ASP 311 N -1.41 6.41 -0.14 1.36 2.15 0.44 -4.82 116.67 120.66 1ujm s ASP 311 Ca 0.16 -1.26 0.11 0.00 0.43 0.00 0.00 52.55 51.99 1ujm s ASP 311 Cb -0.11 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 40.54 1ujm s ASP 311 CO 0.07 -1.52 1.38 0.35 -0.17 0.00 0.00 175.17 175.28 1ujm n THR 312 N 6.48 1.76 -0.07 1.71 -2.24 -1.26 -4.63 114.28 116.03 1ujm n THR 312 Ca 0.21 -0.94 -0.12 0.00 -2.27 0.00 0.00 64.05 60.94 1ujm n THR 312 Cb 0.50 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 1ujm n THR 312 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ujm h ALA 313 N 3.49 -0.56 0.00 6.98 0.00 -1.96 0.54 119.26 127.76 1ujm h ALA 313 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ujm h ALA 313 Cb 1.42 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 1ujm h ALA 313 CO 0.30 -0.92 -0.18 -1.00 0.00 0.00 0.00 179.25 177.45 1ujm h PRO 314 N -0.42 0.00 -0.12 0.00 0.13 -1.93 -1.15 132.00 128.51 1ujm h PRO 314 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1ujm h PRO 314 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1ujm h PRO 314 CO -0.50 0.18 0.03 0.77 -0.23 0.00 0.00 178.00 178.26 1ujm h SER 315 N 0.00 0.19 -0.25 1.44 0.02 -1.46 -1.39 113.55 112.10 1ujm h SER 315 Ca -0.00 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.65 1ujm h SER 315 Cb 0.37 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1ujm h SER 315 CO 0.02 0.37 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.93 1ujm h LEU 316 N -0.00 0.60 -0.53 5.07 3.38 -0.57 -1.76 115.31 121.50 1ujm h LEU 316 Ca 0.04 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1ujm h LEU 316 Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ujm h LEU 316 CO 0.00 0.72 0.00 -0.33 0.09 0.00 0.00 178.44 178.93 1ujm h GLU 317 N 0.57 0.94 0.15 1.13 5.08 -1.08 -2.25 114.58 119.13 1ujm h GLU 317 Ca 0.11 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1ujm h GLU 317 Cb 0.48 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ujm h GLU 317 CO 0.03 0.95 -0.07 0.82 -1.00 0.00 0.00 179.01 179.74 1ujm h ILE 318 N 0.81 0.94 -0.67 3.13 2.04 -0.98 -0.55 117.51 122.24 1ujm h ILE 318 Ca 0.15 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1ujm h ILE 318 Cb 0.53 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1ujm h ILE 318 CO 0.03 0.08 0.39 -0.07 0.00 0.00 0.00 178.15 178.58 1ujm h LEU 319 N -0.37 0.61 -0.25 1.44 3.38 -1.31 -0.14 115.31 118.67 1ujm h LEU 319 Ca -0.02 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ujm h LEU 319 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ujm h LEU 319 CO 0.03 0.40 -0.02 0.50 0.09 0.00 0.00 178.44 179.45 1ujm h LYS 320 N 0.74 0.45 -0.20 1.13 3.64 -1.35 0.33 116.57 121.31 1ujm h LYS 320 Ca 0.29 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1ujm h LYS 320 Cb 0.12 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1ujm h LYS 320 CO -0.15 0.65 0.06 0.77 -2.27 0.00 0.00 179.45 178.51 1ujm h SER 321 N 0.22 0.25 -0.05 4.20 0.02 -0.72 -0.92 113.55 116.54 1ujm h SER 321 Ca 0.07 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1ujm h SER 321 Cb 0.46 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1ujm h SER 321 CO 0.02 0.24 0.00 0.18 -1.14 0.00 0.00 176.83 176.13 1ujm n LEU 322 N -4.44 0.58 -0.30 5.07 4.77 -0.10 -4.89 117.00 117.70 1ujm n LEU 322 Ca -0.00 -0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 55.71 1ujm n LEU 322 Cb 0.13 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1ujm n LEU 322 CO 0.36 0.12 -0.04 0.61 -1.33 0.00 0.00 177.39 177.11 1ujm n GLY 323 N 0.92 0.68 2.51 -0.72 0.00 -0.35 -4.94 105.19 103.30 1ujm n GLY 323 Ca 0.15 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 1ujm n GLY 323 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujm n ARG 324 N -2.79 1.88 -1.51 1.61 5.12 0.08 -5.02 116.66 116.03 1ujm n ARG 324 Ca -0.04 -3.86 -0.37 0.00 -1.93 0.00 0.00 57.85 51.65 1ujm n ARG 324 Cb 0.14 -1.81 0.07 0.00 -1.16 0.00 0.00 32.46 29.70 1ujm n ARG 324 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1ujm n PRO 325 N -0.02 0.72 -0.57 5.56 -0.04 -1.09 -4.47 135.00 135.09 1ujm n PRO 325 Ca 0.25 0.29 0.01 0.00 -0.04 0.00 0.00 63.50 64.02 1ujm n PRO 325 Cb 0.63 -2.20 -0.01 0.00 -0.04 0.00 0.00 33.50 31.88 1ujm n PRO 325 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ujm n GLY 326 N 1.21 -3.19 3.76 0.55 0.00 -1.26 -4.92 105.19 101.35 1ujm n GLY 326 Ca 0.14 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1ujm n GLY 326 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ujm s TRP 327 N -4.30 3.88 0.31 1.61 0.52 -1.26 -5.02 118.94 114.68 1ujm s TRP 327 Ca 0.00 1.85 -0.29 0.00 0.02 0.00 0.00 56.10 57.68 1ujm s TRP 327 Cb 0.00 -2.94 -0.10 0.00 -1.15 0.00 0.00 33.47 29.28 1ujm s TRP 327 CO 0.00 0.38 1.26 0.50 0.02 0.00 0.00 176.95 179.11 1ujm s ARG 328 N -1.48 4.43 0.92 4.98 3.52 -1.26 -4.98 118.95 125.08 1ujm s ARG 328 Ca 0.44 2.11 -0.11 0.00 -0.13 0.00 0.00 55.73 58.03 1ujm s ARG 328 Cb -0.23 -3.11 0.14 0.00 -1.56 0.00 0.00 34.95 30.19 1ujm s ARG 328 CO 0.29 -0.10 1.09 -1.54 -0.81 0.00 0.00 175.30 174.23 1ujm s SER 329 N -0.49 3.14 0.29 -2.12 1.04 -1.26 -4.66 113.70 109.64 1ujm s SER 329 Ca 0.49 1.72 0.10 0.00 0.48 0.00 0.00 55.95 58.74 1ujm s SER 329 Cb -0.38 -2.35 0.42 0.00 0.10 0.00 0.00 66.02 63.81 1ujm s SER 329 CO 0.49 -2.89 1.65 -0.29 0.98 0.00 0.00 173.24 173.18 1ujm h ILE 330 N -1.72 1.40 -0.02 -1.02 2.10 -1.98 -0.70 117.51 115.57 1ujm h ILE 330 Ca -0.49 -1.91 -0.00 0.00 1.08 0.00 0.00 64.86 63.54 1ujm h ILE 330 Cb 1.28 2.02 -0.00 0.00 -1.09 0.00 0.00 36.82 39.02 1ujm h ILE 330 CO 0.50 0.55 0.01 -0.33 -1.08 0.00 0.00 178.15 177.80 1ujm h GLU 331 N 0.03 0.03 -0.49 2.19 3.07 -1.99 0.74 114.58 118.16 1ujm h GLU 331 Ca -0.00 -0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 1ujm h GLU 331 Cb 1.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 1ujm h GLU 331 CO 0.07 0.07 -0.19 0.93 -1.40 0.00 0.00 179.01 178.50 1ujm h GLU 332 N -0.02 0.97 -0.69 2.33 4.39 -1.89 -1.96 114.58 117.71 1ujm h GLU 332 Ca 0.01 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 1ujm h GLU 332 Cb 0.05 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1ujm h GLU 332 CO -0.00 1.07 0.34 0.77 -1.16 0.00 0.00 179.01 180.02 1ujm h SER 333 N 0.85 0.89 -0.07 1.42 0.02 -0.90 -0.10 113.55 115.65 1ujm h SER 333 Ca 0.12 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1ujm h SER 333 Cb 0.76 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1ujm h SER 333 CO 0.06 0.77 -0.34 0.40 -1.14 0.00 0.00 176.83 176.59 1ujm h ILE 334 N 0.95 1.29 -0.39 3.27 2.04 -0.78 -2.35 117.51 121.53 1ujm h ILE 334 Ca 0.24 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 1ujm h ILE 334 Cb 0.11 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1ujm h ILE 334 CO -0.03 0.46 -0.05 0.50 0.00 0.00 0.00 178.15 179.03 1ujm h LYS 335 N 0.48 0.66 -0.81 2.37 3.64 -0.83 0.12 116.57 122.19 1ujm h LYS 335 Ca 0.05 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1ujm h LYS 335 Cb 0.81 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1ujm h LYS 335 CO 0.07 0.71 0.54 -0.44 -2.27 0.00 0.00 179.45 178.06 1ujm h ASP 336 N 0.61 0.90 0.08 4.20 3.32 -0.52 0.35 116.42 125.36 1ujm h ASP 336 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ujm h ASP 336 Cb 0.46 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1ujm h ASP 336 CO 0.02 0.63 -0.04 0.25 -1.72 0.00 0.00 179.24 178.38 1ujm h LEU 337 N 1.05 -0.09 -0.95 1.55 5.85 -0.92 -3.23 115.31 118.56 1ujm h LEU 337 Ca 0.31 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ujm h LEU 337 Cb -0.03 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1ujm h LEU 337 CO -0.08 0.53 -0.50 1.33 -0.34 0.00 0.00 178.44 179.38 1ujm n VAL 338 N -4.81 0.00 -4.46 1.05 0.24 0.34 -4.76 118.33 105.93 1ujm n VAL 338 Ca -0.05 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1ujm n VAL 338 Cb 0.20 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 1ujm n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ujm n GLY 339 N 1.42 0.01 3.25 7.63 0.00 0.12 -4.93 105.19 112.70 1ujm n GLY 339 Ca 0.09 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1ujm n GLY 339 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujm s SER 340 N -4.00 -0.07 0.44 1.61 1.04 -1.26 -4.65 113.70 106.80 1ujm s SER 340 Ca 0.00 -0.37 -0.25 0.00 0.48 0.00 0.00 55.95 55.81 1ujm s SER 340 Cb 0.00 0.38 -0.08 0.00 0.10 0.00 0.00 66.02 66.43 1ujm s SER 340 CO 0.00 -0.72 1.27 -0.70 0.98 0.00 0.00 173.24 174.08 1ujm s GLU 341 N -3.32 3.78 1.06 4.02 2.12 -0.56 -5.02 118.70 120.79 1ujm s GLU 341 Ca 0.00 2.06 -0.15 0.00 0.36 0.00 0.00 54.97 57.24 1ujm s GLU 341 Cb 0.02 -2.59 0.22 0.00 0.26 0.00 0.00 34.13 32.04 1ujm s GLU 341 CO -0.08 -0.61 1.14 -0.08 -0.54 0.00 0.00 175.26 175.08 1ujm s THR 342 N -1.34 1.85 -2.00 -1.70 -1.32 -1.26 -5.01 115.64 104.85 1ujm s THR 342 Ca 0.61 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.24 1ujm s THR 342 Cb -0.36 -2.61 0.44 0.00 -1.51 0.00 0.00 72.50 68.47 1ujm s THR 342 CO 0.45 0.00 1.34 0.00 -2.21 0.00 0.00 174.62 174.20