#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2big s VAL 4 N 0.00 0.84 -0.23 5.09 1.01 -1.26 -4.31 120.40 121.54 2big s VAL 4 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2big s VAL 4 Cb 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.65 2big s VAL 4 CO 0.00 0.28 -0.10 -0.36 0.00 0.00 0.00 175.10 174.92 2big s PHE 5 N 0.57 2.75 -0.69 5.22 0.40 -0.25 -5.00 117.98 120.99 2big s PHE 5 Ca -0.10 -1.90 -0.17 0.00 -0.60 0.00 0.00 56.93 54.16 2big s PHE 5 Cb -0.13 -1.75 0.14 0.00 0.51 0.00 0.00 43.02 41.79 2big s PHE 5 CO 0.02 -0.81 0.74 1.21 0.70 0.00 0.00 175.22 177.08 2big s ASN 6 N 1.28 6.40 -0.37 1.36 3.84 -1.26 -0.93 114.94 125.25 2big s ASN 6 Ca -0.05 -1.91 0.08 0.00 0.21 0.00 0.00 52.86 51.19 2big s ASN 6 Cb -0.18 -2.28 0.72 0.00 -0.55 0.00 0.00 41.25 38.96 2big s ASN 6 CO -0.07 -0.93 1.84 0.49 -2.79 0.00 0.00 177.10 175.65 2big n PHE 7 N 5.57 2.65 -1.84 0.43 3.01 0.12 -4.57 117.46 122.83 2big n PHE 7 Ca 0.00 -1.45 -0.37 0.00 1.01 0.00 0.00 57.45 56.64 2big n PHE 7 Cb 0.44 -0.78 0.05 0.00 -0.01 0.00 0.00 39.48 39.18 2big n PHE 7 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2big s ASN 8 N -1.18 5.10 0.00 4.37 0.01 -1.18 -3.61 114.94 118.45 2big s ASN 8 Ca 0.56 2.63 0.24 0.00 -0.71 0.00 0.00 52.86 55.58 2big s ASN 8 Cb 0.45 -2.62 0.37 0.00 0.41 0.00 0.00 41.25 39.86 2big s ASN 8 CO 0.12 -1.67 1.32 0.00 -1.51 0.00 0.00 177.10 175.36 2big n ALA 9 N -1.36 3.63 0.00 0.60 0.00 -1.26 -4.62 120.51 117.49 2big n ALA 9 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2big n ALA 9 Cb 0.47 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2big n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2big n GLY 10 N 1.44 3.00 3.29 0.00 0.00 -1.26 -4.91 105.19 106.74 2big n GLY 10 Ca 0.08 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2big n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2big n PRO 11 N 0.00 -1.54 -4.09 1.61 -0.02 -1.26 -5.08 135.00 124.62 2big n PRO 11 Ca 0.00 -0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 60.91 2big n PRO 11 Cb 0.00 -1.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 2big n PRO 11 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2big s SER 12 N -1.86 0.76 0.42 2.55 1.04 -1.17 -4.72 113.70 110.72 2big s SER 12 Ca 0.56 -1.41 -0.25 0.00 0.48 0.00 0.00 55.95 55.32 2big s SER 12 Cb -0.12 0.63 -0.10 0.00 0.10 0.00 0.00 66.02 66.53 2big s SER 12 CO 0.66 -1.23 1.26 0.00 0.98 0.00 0.00 173.24 174.91 2big n ALA 13 N -0.52 1.26 -2.56 5.32 0.00 -1.26 -5.01 120.51 117.74 2big n ALA 13 Ca 0.01 0.26 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 2big n ALA 13 Cb 0.62 -2.26 -0.09 0.00 0.00 0.00 0.00 19.45 17.72 2big n ALA 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2big s LEU 14 N -1.67 2.93 0.24 0.00 1.43 -1.26 -4.58 118.68 115.76 2big s LEU 14 Ca 0.61 -0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 2big s LEU 14 Cb -0.51 -1.41 -0.10 0.00 0.03 0.00 0.00 46.19 44.20 2big s LEU 14 CO 0.58 -0.04 1.44 -2.84 0.23 0.00 0.00 176.35 175.72 2big s PRO 15 N -3.62 4.27 0.21 1.29 0.02 -1.26 -4.91 135.00 131.00 2big s PRO 15 Ca 0.32 2.29 -0.09 0.00 0.02 0.00 0.00 61.00 63.54 2big s PRO 15 Cb -0.04 -3.12 0.27 0.00 0.02 0.00 0.00 34.50 31.63 2big s PRO 15 CO 0.18 -0.42 1.78 0.87 -0.33 0.00 0.00 177.00 179.08 2big h LYS 16 N 5.13 0.54 -0.47 5.54 1.57 -1.99 -1.63 116.57 125.26 2big h LYS 16 Ca -0.46 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2big h LYS 16 Cb 1.22 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 2big h LYS 16 CO 0.78 0.36 0.28 -1.35 -0.57 0.00 0.00 179.45 178.95 2big h PRO 17 N 0.56 0.63 -0.41 3.15 0.11 -1.99 0.66 132.00 134.71 2big h PRO 17 Ca 0.31 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.24 2big h PRO 17 Cb 0.30 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 2big h PRO 17 CO -0.24 0.45 -0.26 0.00 -0.21 0.00 0.00 178.00 177.73 2big h ALA 18 N 1.67 0.77 -0.17 -0.75 0.00 -1.60 -1.22 119.26 117.95 2big h ALA 18 Ca 0.17 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2big h ALA 18 Cb -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.62 2big h ALA 18 CO -0.03 0.66 -0.55 -0.07 0.00 0.00 0.00 179.25 179.26 2big h LEU 19 N 0.73 0.78 -0.74 0.00 3.38 -1.02 -2.12 115.31 116.31 2big h LEU 19 Ca 0.09 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2big h LEU 19 Cb 0.81 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2big h LEU 19 CO 0.07 1.24 0.45 -0.33 0.09 0.00 0.00 178.44 179.96 2big h GLU 20 N 0.36 1.00 -0.34 1.13 5.08 -0.86 0.60 114.58 121.54 2big h GLU 20 Ca -0.02 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2big h GLU 20 Cb 1.17 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2big h GLU 20 CO 0.12 0.70 0.20 -0.09 -1.00 0.00 0.00 179.01 178.94 2big h ARG 21 N 1.01 0.47 -0.84 2.33 2.43 -1.20 -1.07 114.38 117.51 2big h ARG 21 Ca 0.27 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2big h ARG 21 Cb -0.05 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 2big h ARG 21 CO -0.05 0.37 0.41 0.00 -1.51 0.00 0.00 179.97 179.18 2big h ALA 22 N 1.08 1.09 -0.18 2.80 0.00 -1.01 -2.72 119.26 120.32 2big h ALA 22 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2big h ALA 22 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2big h ALA 22 CO -0.02 0.65 0.09 0.37 0.00 0.00 0.00 179.25 180.34 2big h GLN 23 N 1.20 0.25 -0.89 0.00 4.15 -0.63 -1.62 115.11 117.57 2big h GLN 23 Ca 0.29 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.72 2big h GLN 23 Cb 0.11 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 2big h GLN 23 CO -0.04 0.27 0.57 -0.22 -1.93 0.00 0.00 178.83 177.49 2big h LYS 24 N 0.17 1.06 -0.45 1.69 3.64 -0.91 -2.76 116.57 119.02 2big h LYS 24 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2big h LYS 24 Cb 0.10 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2big h LYS 24 CO -0.01 0.70 0.00 -0.85 -2.27 0.00 0.00 179.45 177.02 2big n GLU 25 N -4.54 3.68 0.19 1.90 0.28 -1.05 -4.64 120.64 116.46 2big n GLU 25 Ca 0.12 -2.87 0.06 0.00 -0.16 0.00 0.00 57.16 54.31 2big n GLU 25 Cb 0.11 -1.92 0.55 0.00 1.43 0.00 0.00 31.44 31.61 2big n GLU 25 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2big h LEU 26 N 2.97 0.12 0.00 -1.84 5.85 -0.98 -2.64 115.31 118.78 2big h LEU 26 Ca 0.00 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 2big h LEU 26 Cb 1.53 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2big h LEU 26 CO 0.28 0.14 -1.85 0.18 -0.34 0.00 0.00 178.44 176.85 2big n LEU 27 N -4.47 0.21 -3.44 2.25 4.77 -1.26 -4.04 117.00 111.03 2big n LEU 27 Ca -0.01 0.09 -0.27 0.00 -0.03 0.00 0.00 56.01 55.78 2big n LEU 27 Cb 0.13 0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 2big n LEU 27 CO 0.35 0.06 -0.29 0.21 -1.33 0.00 0.00 177.39 176.39 2big s ASN 28 N -4.91 2.56 -0.15 -1.43 2.47 -1.00 -3.03 114.94 109.44 2big s ASN 28 Ca -0.07 -2.15 -0.24 0.00 0.42 0.00 0.00 52.86 50.82 2big s ASN 28 Cb 0.12 -0.24 -0.02 0.00 -1.45 0.00 0.00 41.25 39.66 2big s ASN 28 CO 0.87 -0.29 0.76 0.12 -3.72 0.00 0.00 177.10 174.84 2big s PHE 29 N 1.06 3.44 -1.54 0.43 5.36 0.43 -4.38 117.98 122.78 2big s PHE 29 Ca 0.19 1.18 -0.12 0.00 -0.96 0.00 0.00 56.93 57.22 2big s PHE 29 Cb -0.20 -2.92 0.09 0.00 -0.34 0.00 0.00 43.02 39.64 2big s PHE 29 CO -0.01 -0.16 0.84 -1.71 -1.46 0.00 0.00 175.22 172.72 2big n ASN 30 N 4.89 -3.51 -1.74 6.13 5.15 -1.26 -1.26 115.26 123.66 2big n ASN 30 Ca 0.02 -0.87 -0.20 0.00 -0.60 0.00 0.00 54.58 52.92 2big n ASN 30 Cb 0.49 -3.50 -0.07 0.00 -0.53 0.00 0.00 39.78 36.18 2big n ASN 30 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2big n ASP 31 N -2.82 -5.42 0.05 1.20 8.00 -1.26 -4.87 116.55 111.43 2big n ASP 31 Ca -0.02 0.41 0.13 0.00 0.71 0.00 0.00 54.79 56.01 2big n ASP 31 Cb 0.55 -4.74 0.35 0.00 -0.02 0.00 0.00 41.12 37.25 2big n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2big n THR 32 N -2.64 0.31 -1.30 -3.53 -2.24 -0.39 -4.92 114.28 99.57 2big n THR 32 Ca -0.21 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.29 2big n THR 32 Cb 0.67 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 2big n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2big n GLN 33 N -1.95 -1.05 -4.30 -0.78 1.13 -1.26 -4.97 117.38 104.20 2big n GLN 33 Ca 0.05 0.81 -0.23 0.00 -1.94 0.00 0.00 57.00 55.70 2big n GLN 33 Cb 0.40 -4.87 -0.12 0.00 0.11 0.00 0.00 30.24 25.76 2big n GLN 33 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2big s MET 34 N -2.68 1.17 0.67 -1.09 -1.94 -1.23 -4.79 119.30 109.41 2big s MET 34 Ca 0.00 -1.26 -0.15 0.00 -1.71 0.00 0.00 55.69 52.57 2big s MET 34 Cb 0.00 -1.32 0.01 0.00 2.01 0.00 0.00 34.83 35.52 2big s MET 34 CO 0.00 0.29 1.13 0.45 -0.01 0.00 0.00 175.02 176.88 2big s SER 35 N -2.23 4.89 0.53 3.03 0.15 -1.17 -0.43 113.70 118.48 2big s SER 35 Ca 0.10 2.09 0.22 0.00 0.70 0.00 0.00 55.95 59.07 2big s SER 35 Cb -0.08 -2.56 1.38 0.00 -1.71 0.00 0.00 66.02 63.05 2big s SER 35 CO 0.05 -1.78 2.07 1.62 1.20 0.00 0.00 173.24 176.40 2big h VAL 36 N -0.02 0.80 0.00 4.45 3.04 -1.84 -0.37 116.25 122.31 2big h VAL 36 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2big h VAL 36 Cb 1.26 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2big h VAL 36 CO 0.53 0.00 0.00 0.23 -1.01 0.00 0.00 177.57 177.32 2big n MET 37 N -4.36 0.09 -0.08 4.17 2.81 -1.26 -3.04 117.12 115.45 2big n MET 37 Ca 0.04 0.36 0.08 0.00 -1.81 0.00 0.00 57.70 56.37 2big n MET 37 Cb 0.37 -1.69 0.12 0.00 -0.71 0.00 0.00 33.22 31.31 2big n MET 37 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2big n GLU 38 N -1.86 1.74 -3.03 0.03 1.02 -0.15 -4.99 120.64 113.39 2big n GLU 38 Ca 0.02 -1.73 -0.37 0.00 -0.02 0.00 0.00 57.16 55.07 2big n GLU 38 Cb 0.18 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 2big n GLU 38 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2big s LEU 39 N -1.24 4.41 0.41 -4.62 1.43 -1.17 -4.95 118.68 112.97 2big s LEU 39 Ca 0.23 1.53 -0.26 0.00 -1.03 0.00 0.00 54.13 54.61 2big s LEU 39 Cb 0.15 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.73 2big s LEU 39 CO 0.21 0.07 1.33 -0.55 0.23 0.00 0.00 176.35 177.64 2big s SER 40 N -1.50 6.23 0.00 2.29 0.15 -1.26 -4.89 113.70 114.71 2big s SER 40 Ca 0.42 2.71 0.24 0.00 0.70 0.00 0.00 55.95 60.02 2big s SER 40 Cb -0.19 -2.64 1.24 0.00 -1.71 0.00 0.00 66.02 62.72 2big s SER 40 CO 0.23 -0.91 1.81 0.00 1.20 0.00 0.00 173.24 175.56 2big n HIS 41 N 0.07 0.00 0.01 3.44 1.44 -1.26 -1.95 115.22 116.97 2big n HIS 41 Ca 0.04 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.86 2big n HIS 41 Cb 0.43 -0.27 0.25 0.00 0.12 0.00 0.00 29.99 30.52 2big n HIS 41 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2big n ARG 42 N -1.27 2.56 -2.50 -1.40 1.74 -1.26 -4.55 116.66 109.98 2big n ARG 42 Ca 0.12 -2.38 -0.36 0.00 -0.77 0.00 0.00 57.85 54.46 2big n ARG 42 Cb 0.19 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 2big n ARG 42 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2big s SER 43 N -1.24 6.53 0.35 0.55 1.04 -0.82 -4.93 113.70 115.18 2big s SER 43 Ca 0.41 2.05 0.02 0.00 0.48 0.00 0.00 55.95 58.91 2big s SER 43 Cb 0.23 -2.58 0.64 0.00 0.10 0.00 0.00 66.02 64.40 2big s SER 43 CO 0.30 -0.65 2.00 -0.61 0.98 0.00 0.00 173.24 175.27 2big h GLN 44 N 2.14 0.84 -0.20 4.02 4.15 -1.93 -0.37 115.11 123.76 2big h GLN 44 Ca -0.49 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 58.90 2big h GLN 44 Cb 1.22 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 2big h GLN 44 CO 0.61 0.55 0.08 0.77 -1.93 0.00 0.00 178.83 178.91 2big h SER 45 N 0.86 0.11 -0.18 -0.69 0.02 -1.92 -1.15 113.55 110.59 2big h SER 45 Ca 0.24 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.11 2big h SER 45 Cb -0.07 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2big h SER 45 CO -0.06 0.09 -0.26 0.22 -1.14 0.00 0.00 176.83 175.68 2big h TYR 46 N 0.18 0.61 -0.80 3.45 3.20 -1.71 -3.22 116.97 118.68 2big h TYR 46 Ca 0.08 -0.20 0.15 0.00 3.14 0.00 0.00 58.73 61.90 2big h TYR 46 Cb 0.04 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 2big h TYR 46 CO -0.11 0.90 0.53 0.93 -1.64 0.00 0.00 178.16 178.77 2big h GLU 47 N 0.14 0.46 -0.78 1.82 5.08 -0.79 -0.39 114.58 120.14 2big h GLU 47 Ca 0.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2big h GLU 47 Cb 0.84 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2big h GLU 47 CO 0.06 0.31 0.31 0.93 -1.00 0.00 0.00 179.01 179.62 2big h GLU 48 N 0.48 1.16 -0.26 2.33 5.08 -1.23 -0.31 114.58 121.82 2big h GLU 48 Ca 0.39 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2big h GLU 48 Cb 0.84 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2big h GLU 48 CO -0.14 0.95 -0.10 0.28 -1.00 0.00 0.00 179.01 179.00 2big h VAL 49 N 1.13 1.29 -0.16 3.13 2.07 -1.15 -0.56 116.25 122.00 2big h VAL 49 Ca 0.26 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.66 2big h VAL 49 Cb 0.22 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2big h VAL 49 CO -0.02 0.36 -0.10 -0.74 0.02 0.00 0.00 177.57 177.09 2big h HIS 50 N 0.27 -0.24 -0.68 1.57 6.17 -1.04 -0.50 115.15 120.70 2big h HIS 50 Ca 0.06 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.12 2big h HIS 50 Cb 0.59 0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.63 2big h HIS 50 CO 0.06 -0.15 0.26 1.49 0.71 0.00 0.00 177.93 180.29 2big h GLU 51 N -0.10 1.03 -0.43 5.26 4.81 -1.03 -2.74 114.58 121.38 2big h GLU 51 Ca 0.10 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 2big h GLU 51 Cb 0.24 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2big h GLU 51 CO -0.22 0.86 0.04 0.37 -0.73 0.00 0.00 179.01 179.33 2big h GLN 52 N 0.98 0.67 -0.47 1.92 4.15 -0.56 0.89 115.11 122.68 2big h GLN 52 Ca 0.23 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 2big h GLN 52 Cb 0.23 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2big h GLN 52 CO -0.02 0.66 0.24 0.00 -1.93 0.00 0.00 178.83 177.78 2big h ALA 53 N 1.41 0.61 -0.40 3.38 0.00 -0.97 0.78 119.26 124.07 2big h ALA 53 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2big h ALA 53 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2big h ALA 53 CO 0.01 0.16 0.21 1.96 0.00 0.00 0.00 179.25 181.58 2big h GLN 54 N 0.62 0.56 -0.74 0.00 4.20 -1.09 -2.28 115.11 116.37 2big h GLN 54 Ca 0.16 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2big h GLN 54 Cb 0.10 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2big h GLN 54 CO -0.02 0.47 0.45 -0.91 -0.67 0.00 0.00 178.83 178.15 2big h ASN 55 N 0.50 0.90 -0.41 1.46 2.35 -0.52 -0.39 115.58 119.48 2big h ASN 55 Ca 0.14 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 2big h ASN 55 Cb 0.08 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2big h ASN 55 CO -0.02 0.70 -0.22 -0.07 -1.65 0.00 0.00 177.43 176.17 2big h LEU 56 N 1.02 0.94 -0.56 1.61 3.38 -0.78 -0.54 115.31 120.38 2big h LEU 56 Ca 0.27 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2big h LEU 56 Cb -0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2big h LEU 56 CO -0.05 1.12 0.37 -0.07 0.09 0.00 0.00 178.44 179.90 2big h LEU 57 N 0.79 0.65 -0.60 1.67 3.38 -1.04 0.72 115.31 120.87 2big h LEU 57 Ca 0.10 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2big h LEU 57 Cb 0.78 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2big h LEU 57 CO 0.06 0.48 0.38 -0.09 0.09 0.00 0.00 178.44 179.36 2big h ARG 58 N 0.76 0.73 -0.03 1.13 2.43 -0.70 -0.75 114.38 117.94 2big h ARG 58 Ca 0.20 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2big h ARG 58 Cb -0.08 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2big h ARG 58 CO -0.04 0.48 -0.00 1.49 -1.51 0.00 0.00 179.97 180.39 2big h GLU 59 N 0.75 0.06 -0.29 0.20 4.81 -0.93 0.02 114.58 119.20 2big h GLU 59 Ca 0.24 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 2big h GLU 59 Cb -0.01 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2big h GLU 59 CO -0.09 0.36 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.09 2big h LEU 60 N -0.26 0.73 -1.18 1.64 3.38 -0.65 -2.87 115.31 116.10 2big h LEU 60 Ca 0.01 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2big h LEU 60 Cb 0.34 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2big h LEU 60 CO 0.00 1.03 -0.18 0.18 0.09 0.00 0.00 178.44 179.57 2big n LEU 61 N -4.04 2.01 -3.59 1.67 4.77 -0.31 -4.46 117.00 113.05 2big n LEU 61 Ca -0.02 -0.68 -0.24 0.00 -0.03 0.00 0.00 56.01 55.05 2big n LEU 61 Cb 0.52 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 2big n LEU 61 CO 0.46 0.35 -0.05 0.00 -1.33 0.00 0.00 177.39 176.82 2big n GLN 62 N 0.32 -2.85 -2.70 3.23 6.02 -0.13 -4.70 117.38 116.58 2big n GLN 62 Ca 0.14 0.61 -0.43 0.00 -0.01 0.00 0.00 57.00 57.31 2big n GLN 62 Cb 0.46 -4.91 -0.03 0.00 1.02 0.00 0.00 30.24 26.78 2big n GLN 62 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2big s ILE 63 N -3.53 4.60 0.89 5.09 1.01 -0.46 -4.74 121.20 124.06 2big s ILE 63 Ca 0.29 1.71 -0.10 0.00 0.00 0.00 0.00 60.65 62.55 2big s ILE 63 Cb -0.08 -4.34 0.13 0.00 0.01 0.00 0.00 42.46 38.18 2big s ILE 63 CO 0.82 -0.37 1.15 -2.84 0.00 0.00 0.00 174.94 173.70 2big s PRO 64 N 3.42 1.22 0.55 2.79 0.02 -1.26 -4.89 135.00 136.84 2big s PRO 64 Ca 0.43 1.53 0.29 0.00 0.02 0.00 0.00 61.00 63.26 2big s PRO 64 Cb -0.13 -1.75 1.59 0.00 0.02 0.00 0.00 34.50 34.23 2big s PRO 64 CO 0.13 -2.48 2.14 -0.91 -0.33 0.00 0.00 177.00 175.54 2big h ASN 65 N -1.69 0.00 -0.15 2.53 2.35 -2.01 -1.82 115.58 114.80 2big h ASN 65 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2big h ASN 65 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2big h ASN 65 CO 0.43 0.08 0.00 -0.90 -1.65 0.00 0.00 177.43 175.39 2big n ASP 66 N -3.68 1.15 -4.57 5.81 5.68 -1.26 -4.73 116.55 114.95 2big n ASP 66 Ca -0.02 -2.05 -0.31 0.00 -0.50 0.00 0.00 54.79 51.90 2big n ASP 66 Cb 0.19 -0.22 -0.11 0.00 -1.14 0.00 0.00 41.12 39.84 2big n ASP 66 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 2big s TYR 67 N -1.68 2.80 0.10 2.11 1.51 -0.68 -1.33 117.35 120.18 2big s TYR 67 Ca 0.11 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.12 2big s TYR 67 Cb 0.06 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 2big s TYR 67 CO 0.06 0.36 -0.00 -1.14 -1.11 0.00 0.00 175.55 173.72 2big s GLN 68 N -1.56 2.51 -0.29 -0.62 0.74 0.11 -4.89 119.66 115.65 2big s GLN 68 Ca 0.17 -0.88 -0.05 0.00 0.05 0.00 0.00 55.36 54.65 2big s GLN 68 Cb -0.11 -2.51 0.03 0.00 1.10 0.00 0.00 33.01 31.52 2big s GLN 68 CO 0.08 0.53 0.04 0.42 -0.55 0.00 0.00 175.29 175.81 2big s ILE 69 N -1.37 3.50 -0.02 -2.34 1.01 -1.26 -1.07 121.20 119.65 2big s ILE 69 Ca 0.26 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 2big s ILE 69 Cb -0.11 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2big s ILE 69 CO 0.18 0.02 0.06 -0.76 0.00 0.00 0.00 174.94 174.44 2big s LEU 70 N 1.39 3.82 -0.30 2.97 1.43 0.11 -4.88 118.68 123.22 2big s LEU 70 Ca -0.00 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2big s LEU 70 Cb -0.18 -2.16 0.07 0.00 0.03 0.00 0.00 46.19 43.94 2big s LEU 70 CO 0.00 0.29 -0.02 -0.36 0.23 0.00 0.00 176.35 176.50 2big s PHE 71 N -1.13 3.37 0.27 0.29 2.99 -1.26 -1.27 117.98 121.24 2big s PHE 71 Ca 0.21 -2.26 0.11 0.00 0.00 0.00 0.00 56.93 54.98 2big s PHE 71 Cb -0.12 -2.26 -0.05 0.00 0.00 0.00 0.00 43.02 40.59 2big s PHE 71 CO 0.11 -0.87 -0.13 -0.51 -0.00 0.00 0.00 175.22 173.82 2big s LEU 72 N 1.13 2.80 0.46 -0.37 1.43 -0.13 -4.87 118.68 119.13 2big s LEU 72 Ca -0.03 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2big s LEU 72 Cb -0.20 -1.33 -0.00 0.00 0.03 0.00 0.00 46.19 44.69 2big s LEU 72 CO -0.04 0.03 0.68 -1.10 0.23 0.00 0.00 176.35 176.16 2big s GLN 73 N -3.50 3.04 0.00 1.70 -0.21 -1.26 -0.24 119.66 119.19 2big s GLN 73 Ca 0.30 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 55.19 2big s GLN 73 Cb -0.06 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.40 2big s GLN 73 CO 0.16 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 2big n GLY 74 N -2.10 0.73 0.14 3.09 0.00 -1.26 -4.88 105.19 100.91 2big n GLY 74 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 2big n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2big n GLY 75 N -1.03 -1.74 0.29 -0.02 0.00 -1.26 -2.68 105.19 98.74 2big n GLY 75 Ca 0.00 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.61 2big n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2big h ALA 76 N -0.13 1.91 -0.46 4.61 0.00 -1.94 -2.65 119.26 120.61 2big h ALA 76 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2big h ALA 76 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2big h ALA 76 CO 0.00 0.07 0.18 0.77 0.00 0.00 0.00 179.25 180.27 2big h SER 77 N 0.21 0.59 0.15 0.00 0.02 -2.01 0.14 113.55 112.65 2big h SER 77 Ca 0.07 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 2big h SER 77 Cb 0.03 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2big h SER 77 CO -0.01 0.54 -0.30 0.25 -1.14 0.00 0.00 176.83 176.16 2big h LEU 78 N 0.65 0.25 -1.78 5.07 5.85 -1.25 -2.59 115.31 121.52 2big h LEU 78 Ca 0.16 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2big h LEU 78 Cb 0.14 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2big h LEU 78 CO -0.02 0.55 -0.14 1.56 -0.34 0.00 0.00 178.44 180.05 2big h GLN 79 N 0.22 0.00 -0.61 1.25 1.08 -0.97 0.06 115.11 116.14 2big h GLN 79 Ca 0.03 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.31 2big h GLN 79 Cb 0.65 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.05 2big h GLN 79 CO 0.05 0.14 0.41 0.74 -0.95 0.00 0.00 178.83 179.22 2big h PHE 80 N 0.00 0.52 0.05 2.96 0.05 -0.96 -1.74 116.94 117.82 2big h PHE 80 Ca -0.00 0.01 -0.36 0.00 3.82 0.00 0.00 57.97 61.44 2big h PHE 80 Cb 0.27 -0.17 -0.05 0.00 2.00 0.00 0.00 35.95 38.00 2big h PHE 80 CO 0.00 0.26 -2.13 -2.37 -0.18 0.00 0.00 178.31 173.89 2big n THR 81 N -4.48 1.61 -0.19 -1.55 5.66 -0.85 -4.27 114.28 110.22 2big n THR 81 Ca 0.09 -0.69 -0.02 0.00 -3.05 0.00 0.00 64.05 60.38 2big n THR 81 Cb 0.31 -1.33 0.19 0.00 -1.55 0.00 0.00 70.33 67.95 2big n THR 81 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 2big h MET 82 N 0.03 0.94 0.91 1.09 -1.53 -0.79 -0.87 114.93 114.71 2big h MET 82 Ca -0.46 -0.14 -0.04 0.00 -3.44 0.00 0.00 59.70 55.62 2big h MET 82 Cb 2.02 -0.17 0.01 0.00 -0.55 0.00 0.00 31.60 32.91 2big h MET 82 CO 0.03 0.75 -0.44 1.25 0.14 0.00 0.00 176.91 178.64 2big h LEU 83 N 0.94 -1.04 -1.65 3.39 5.85 -1.54 -2.06 115.31 119.20 2big h LEU 83 Ca 0.23 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 2big h LEU 83 Cb 0.13 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2big h LEU 83 CO -0.03 -0.73 -0.13 1.55 -0.34 0.00 0.00 178.44 178.77 2big h PRO 84 N -1.26 0.06 -0.29 5.25 0.13 -1.74 -0.54 132.00 133.62 2big h PRO 84 Ca -0.13 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2big h PRO 84 Cb 0.94 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2big h PRO 84 CO 0.21 0.19 0.19 0.52 -0.23 0.00 0.00 178.00 178.88 2big h MET 85 N 0.06 0.37 0.04 0.86 2.86 -0.87 -0.46 114.93 117.79 2big h MET 85 Ca 0.01 -0.02 -0.33 0.00 -2.06 0.00 0.00 59.70 57.30 2big h MET 85 Cb 0.27 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2big h MET 85 CO 0.02 0.24 -1.94 0.09 1.06 0.00 0.00 176.91 176.38 2big n ASN 86 N -4.49 1.19 -0.00 1.22 3.02 -0.75 -4.71 115.26 110.74 2big n ASN 86 Ca 0.01 0.26 0.03 0.00 -0.03 0.00 0.00 54.58 54.85 2big n ASN 86 Cb 0.08 -0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 2big n ASN 86 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2big n LEU 87 N -3.14 0.00 -4.47 3.41 4.77 -0.29 -4.83 117.00 112.45 2big n LEU 87 Ca -0.26 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.29 2big n LEU 87 Cb 1.06 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.14 2big n LEU 87 CO 0.43 0.00 1.26 -0.22 -1.33 0.00 0.00 177.39 177.53 2big s LEU 88 N -3.40 4.91 0.47 2.23 2.96 -0.20 -4.85 118.68 120.81 2big s LEU 88 Ca -0.02 -2.50 0.02 0.00 -0.22 0.00 0.00 54.13 51.41 2big s LEU 88 Cb 0.04 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.32 2big s LEU 88 CO 0.24 -0.93 0.67 0.42 -1.32 0.00 0.00 176.35 175.43 2big s THR 89 N 2.34 3.40 0.25 3.68 -4.23 -1.26 -4.84 115.64 114.97 2big s THR 89 Ca 0.39 -0.68 -0.31 0.00 -1.18 0.00 0.00 61.69 59.91 2big s THR 89 Cb -0.03 -3.24 -0.13 0.00 1.34 0.00 0.00 72.50 70.44 2big s THR 89 CO -0.04 -0.15 1.42 1.17 -0.54 0.00 0.00 174.62 176.49 2big n LYS 90 N -2.09 2.10 -0.80 3.99 3.00 -1.26 -1.57 118.16 121.53 2big n LYS 90 Ca 0.04 0.75 0.00 0.00 -0.00 0.00 0.00 58.31 59.10 2big n LYS 90 Cb 0.59 -2.41 0.00 0.00 0.00 0.00 0.00 35.03 33.20 2big n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2big n GLY 91 N 2.14 0.86 3.66 3.14 0.00 -1.26 -5.04 105.19 108.69 2big n GLY 91 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2big n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2big s THR 92 N -3.37 2.36 -0.06 2.61 -4.23 -0.61 -4.91 115.64 107.44 2big s THR 92 Ca 0.00 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 2big s THR 92 Cb 0.00 -2.91 -0.00 0.00 1.34 0.00 0.00 72.50 70.93 2big s THR 92 CO 0.00 -0.09 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.16 2big s ILE 93 N -2.59 1.69 -0.45 2.99 1.01 -0.07 -4.26 121.20 119.52 2big s ILE 93 Ca 0.37 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 2big s ILE 93 Cb 0.04 -1.46 0.03 0.00 0.01 0.00 0.00 42.46 41.08 2big s ILE 93 CO 0.20 0.48 0.59 -0.83 0.00 0.00 0.00 174.94 175.38 2big s GLY 94 N 0.14 1.76 -0.24 6.18 0.00 0.27 -0.02 107.32 115.41 2big s GLY 94 Ca -0.09 -1.39 -0.11 0.00 0.00 0.00 0.00 44.72 43.14 2big s GLY 94 CO 0.04 1.44 0.20 0.21 0.00 0.00 0.00 173.10 174.99 2big s ASN 95 N 2.10 6.15 -0.04 1.64 2.47 -1.00 -1.60 114.94 124.65 2big s ASN 95 Ca 0.19 0.15 0.06 0.00 0.42 0.00 0.00 52.86 53.68 2big s ASN 95 Cb -0.16 -2.12 -0.02 0.00 -1.45 0.00 0.00 41.25 37.50 2big s ASN 95 CO 0.16 0.03 -0.21 -0.31 -3.72 0.00 0.00 177.10 173.06 2big s TYR 96 N 1.18 2.50 -0.29 0.43 1.51 -0.14 0.05 117.35 122.58 2big s TYR 96 Ca 0.09 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.65 2big s TYR 96 Cb -0.14 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 2big s TYR 96 CO 0.06 0.01 0.20 0.08 -1.11 0.00 0.00 175.55 174.79 2big s VAL 97 N -0.55 5.27 -0.35 0.71 1.01 -0.05 -0.73 120.40 125.70 2big s VAL 97 Ca 0.08 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 2big s VAL 97 Cb -0.11 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 2big s VAL 97 CO 0.00 0.18 0.58 -0.76 0.00 0.00 0.00 175.10 175.11 2big s LEU 98 N 1.75 4.30 0.00 3.92 1.43 -0.22 -4.50 118.68 125.36 2big s LEU 98 Ca 0.07 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2big s LEU 98 Cb -0.16 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.37 2big s LEU 98 CO 0.11 -0.54 0.72 0.35 0.23 0.00 0.00 176.35 177.22 2big n THR 99 N 5.51 0.52 -3.25 5.49 -2.24 -1.26 -2.33 114.28 116.72 2big n THR 99 Ca -0.03 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2big n THR 99 Cb 0.49 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 2big n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2big n GLY 100 N -0.26 -1.07 0.26 3.38 0.00 -1.26 -4.83 105.19 101.41 2big n GLY 100 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 2big n GLY 100 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2big h SER 101 N 0.00 0.76 -0.17 1.61 0.87 -1.99 -2.76 113.55 111.87 2big h SER 101 Ca 0.00 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2big h SER 101 Cb 0.00 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2big h SER 101 CO 0.00 0.96 -0.01 -0.50 -0.53 0.00 0.00 176.83 176.75 2big h TRP 102 N 0.66 0.45 -0.75 2.24 4.06 -1.97 -0.87 115.95 119.76 2big h TRP 102 Ca 0.09 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.98 2big h TRP 102 Cb 0.72 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.71 2big h TRP 102 CO 0.04 0.46 0.39 0.77 -3.56 0.00 0.00 178.44 176.54 2big h SER 103 N 0.43 0.96 -0.62 -3.49 0.02 -1.86 -2.11 113.55 106.87 2big h SER 103 Ca 0.09 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 2big h SER 103 Cb 0.30 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2big h SER 103 CO 0.01 0.79 0.16 -0.33 -1.14 0.00 0.00 176.83 176.32 2big h GLU 104 N 1.05 1.02 -0.39 3.45 5.08 -1.00 -1.65 114.58 122.13 2big h GLU 104 Ca 0.26 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2big h GLU 104 Cb 0.07 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2big h GLU 104 CO -0.04 0.90 -0.13 0.87 -1.00 0.00 0.00 179.01 179.61 2big h LYS 105 N 0.97 0.70 -0.18 2.33 1.57 -0.88 -1.16 116.57 119.93 2big h LYS 105 Ca 0.21 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2big h LYS 105 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2big h LYS 105 CO -0.00 0.81 -0.06 0.00 -0.57 0.00 0.00 179.45 179.62 2big h ALA 106 N 1.22 0.25 -0.63 3.86 0.00 -1.04 -3.05 119.26 119.87 2big h ALA 106 Ca 0.11 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2big h ALA 106 Cb 0.59 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2big h ALA 106 CO 0.04 0.04 0.31 1.25 0.00 0.00 0.00 179.25 180.89 2big h LEU 107 N 0.05 0.43 -0.70 0.00 5.85 -1.05 -2.50 115.31 117.39 2big h LEU 107 Ca 0.04 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.90 2big h LEU 107 Cb 0.52 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 2big h LEU 107 CO 0.02 0.27 0.35 0.50 -0.34 0.00 0.00 178.44 179.24 2big h LYS 108 N 0.58 0.58 -0.24 1.25 3.64 -1.14 -1.62 116.57 119.61 2big h LYS 108 Ca 0.29 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.50 2big h LYS 108 Cb 0.24 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2big h LYS 108 CO -0.21 0.38 -0.41 0.93 -2.27 0.00 0.00 179.45 177.87 2big h GLU 109 N 0.59 0.57 -0.34 1.90 4.39 -1.36 -2.65 114.58 117.69 2big h GLU 109 Ca 0.35 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 2big h GLU 109 Cb 0.36 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2big h GLU 109 CO -0.27 0.87 -0.02 0.00 -1.16 0.00 0.00 179.01 178.43 2big h ALA 110 N 1.09 1.33 0.00 3.43 0.00 -1.06 -2.87 119.26 121.18 2big h ALA 110 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2big h ALA 110 Cb 0.91 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2big h ALA 110 CO 0.08 0.45 -0.06 0.87 0.00 0.00 0.00 179.25 180.59 2big h LYS 111 N 0.51 0.00 0.00 0.00 1.57 -0.95 0.23 116.57 117.93 2big h LYS 111 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2big h LYS 111 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2big h LYS 111 CO 0.01 0.06 0.00 -0.07 -0.57 0.00 0.00 179.45 178.88 2big h LEU 112 N 0.00 0.00 0.00 2.94 3.38 -1.52 -3.34 115.31 116.77 2big h LEU 112 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2big h LEU 112 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2big h LEU 112 CO 0.01 0.00 -0.76 0.18 0.09 0.00 0.00 178.44 177.95 2big n LEU 113 N -3.04 0.17 0.00 1.67 4.77 0.00 -5.09 117.00 115.48 2big n LEU 113 Ca 0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2big n LEU 113 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2big n LEU 113 CO 0.29 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2big n GLY 114 N 1.59 -1.15 3.75 -0.72 0.00 -0.81 -4.99 105.19 102.86 2big n GLY 114 Ca 0.00 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 2big n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2big s GLU 115 N -0.05 4.48 0.34 1.61 2.12 -1.26 -4.43 118.70 121.51 2big s GLU 115 Ca 0.00 1.95 0.05 0.00 0.36 0.00 0.00 54.97 57.32 2big s GLU 115 Cb 0.00 -3.20 -0.07 0.00 0.26 0.00 0.00 34.13 31.13 2big s GLU 115 CO 0.00 -0.08 0.04 0.95 -0.54 0.00 0.00 175.26 175.63 2big s THR 116 N -0.38 1.39 0.09 -1.70 -4.23 -1.26 -0.57 115.64 108.98 2big s THR 116 Ca 0.52 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.81 2big s THR 116 Cb -0.34 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 70.71 2big s THR 116 CO 0.40 -0.01 0.52 -2.28 -0.54 0.00 0.00 174.62 172.72 2big s HIS 117 N -3.15 -0.42 -0.32 3.99 2.46 -0.63 -4.84 115.29 112.38 2big s HIS 117 Ca 0.36 0.35 -0.01 0.00 0.47 0.00 0.00 55.06 56.23 2big s HIS 117 Cb 0.09 0.38 0.06 0.00 -0.13 0.00 0.00 32.58 32.99 2big s HIS 117 CO 0.16 -0.71 0.03 0.42 -2.47 0.00 0.00 174.74 172.17 2big s ILE 118 N -2.99 2.90 0.26 0.89 1.01 -1.26 -0.97 121.20 121.04 2big s ILE 118 Ca -0.02 -1.59 0.03 0.00 0.00 0.00 0.00 60.65 59.06 2big s ILE 118 Cb -0.00 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.73 2big s ILE 118 CO -0.06 -0.23 1.66 0.00 0.00 0.00 0.00 174.94 176.30 2big h ALA 119 N 7.95 1.00 -1.75 9.38 0.00 -1.12 -3.45 119.26 131.28 2big h ALA 119 Ca -0.18 -0.42 0.17 0.00 0.00 0.00 0.00 54.91 54.48 2big h ALA 119 Cb 1.05 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 18.55 2big h ALA 119 CO 0.55 0.61 0.66 0.00 0.00 0.00 0.00 179.25 181.07 2big s ALA 120 N -4.22 -1.96 -0.27 0.00 0.00 -1.25 -0.44 121.76 113.61 2big s ALA 120 Ca -0.06 1.41 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 2big s ALA 120 Cb 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.21 2big s ALA 120 CO 0.80 -0.56 0.72 0.45 0.00 0.00 0.00 175.76 177.17 2big s SER 121 N -2.04 -0.79 -0.24 0.00 0.15 -1.26 -1.05 113.70 108.47 2big s SER 121 Ca 0.06 1.45 0.13 0.00 0.70 0.00 0.00 55.95 58.28 2big s SER 121 Cb -0.01 1.44 0.54 0.00 -1.71 0.00 0.00 66.02 66.28 2big s SER 121 CO -0.05 -0.24 1.49 0.35 1.20 0.00 0.00 173.24 175.98 2big n THR 122 N 3.04 2.47 -0.29 6.45 -2.24 -0.98 -4.73 114.28 118.01 2big n THR 122 Ca -0.15 -2.20 -0.01 0.00 -2.27 0.00 0.00 64.05 59.42 2big n THR 122 Cb 0.56 -0.30 0.19 0.00 -2.10 0.00 0.00 70.33 68.68 2big n THR 122 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2big h LYS 123 N 1.50 1.14 0.00 -0.78 3.64 -1.95 0.27 116.57 120.38 2big h LYS 123 Ca 0.13 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2big h LYS 123 Cb 1.65 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2big h LYS 123 CO 0.36 0.75 -0.04 0.00 -2.27 0.00 0.00 179.45 178.26 2big h ALA 124 N 1.46 1.69 -0.59 5.00 0.00 -1.99 -1.22 119.26 123.61 2big h ALA 124 Ca 0.32 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.95 2big h ALA 124 Cb -0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.50 2big h ALA 124 CO -0.07 0.05 0.20 -1.71 0.00 0.00 0.00 179.25 177.72 2big n ASN 125 N -4.13 3.62 -3.36 0.00 4.05 -0.99 -4.94 115.26 109.52 2big n ASN 125 Ca -0.03 -3.47 -0.23 0.00 0.45 0.00 0.00 54.58 51.30 2big n ASN 125 Cb 0.12 -0.70 0.06 0.00 1.23 0.00 0.00 39.78 40.50 2big n ASN 125 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2big n SER 126 N -0.78 -6.29 -3.80 1.20 7.64 -0.46 -3.35 113.62 107.78 2big n SER 126 Ca 0.40 -0.44 -0.25 0.00 1.01 0.00 0.00 58.87 59.59 2big n SER 126 Cb 1.26 -4.99 0.02 0.00 -1.01 0.00 0.00 64.21 59.49 2big n SER 126 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2big n TYR 127 N -4.82 -1.99 0.93 1.43 0.53 0.05 -4.88 117.16 108.41 2big n TYR 127 Ca -0.04 0.85 0.13 0.00 -1.02 0.00 0.00 57.90 57.82 2big n TYR 127 Cb 0.58 -4.17 0.46 0.00 -1.03 0.00 0.00 39.34 35.18 2big n TYR 127 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 2big n GLN 128 N -4.41 0.05 -3.88 -0.72 6.02 -1.21 -4.85 117.38 108.38 2big n GLN 128 Ca -0.20 0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 56.73 2big n GLN 128 Cb 0.63 -1.55 -0.05 0.00 1.02 0.00 0.00 30.24 30.29 2big n GLN 128 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2big s SER 129 N -3.27 -0.12 -0.07 1.08 1.04 -1.26 -1.07 113.70 110.03 2big s SER 129 Ca 0.12 -0.72 -0.20 0.00 0.48 0.00 0.00 55.95 55.63 2big s SER 129 Cb 0.17 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 2big s SER 129 CO 0.60 -1.03 0.56 -0.63 0.98 0.00 0.00 173.24 173.72 2big s ILE 130 N -3.94 5.08 0.58 -1.02 -1.09 -1.26 -4.74 121.20 114.80 2big s ILE 130 Ca 0.15 1.14 -0.19 0.00 -2.23 0.00 0.00 60.65 59.53 2big s ILE 130 Cb 0.00 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2big s ILE 130 CO 0.01 0.34 1.15 -2.16 -1.23 0.00 0.00 174.94 173.05 2big s PRO 131 N 0.41 3.14 0.23 2.79 0.04 -1.26 -4.96 135.00 135.39 2big s PRO 131 Ca 0.30 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 2big s PRO 131 Cb -0.17 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 2big s PRO 131 CO 0.14 -1.03 1.58 0.34 0.04 0.00 0.00 177.00 178.08 2big s ASP 132 N -1.85 6.49 0.56 6.66 2.15 -1.26 -4.89 116.67 124.53 2big s ASP 132 Ca 0.73 2.79 0.24 0.00 0.43 0.00 0.00 52.55 56.74 2big s ASP 132 Cb -0.25 -2.61 1.57 0.00 -0.30 0.00 0.00 42.92 41.33 2big s ASP 132 CO 0.31 -0.86 2.20 -0.26 -0.17 0.00 0.00 175.17 176.40 2big h PHE 133 N 5.80 0.00 0.00 -5.34 0.05 -2.00 -1.24 116.94 114.21 2big h PHE 133 Ca -0.45 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.34 2big h PHE 133 Cb 1.21 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.16 2big h PHE 133 CO 0.62 0.00 0.00 -1.13 -0.18 0.00 0.00 178.31 177.62 2big n SER 134 N -4.16 0.57 -0.13 2.17 3.41 -1.26 -1.91 113.62 112.32 2big n SER 134 Ca -0.03 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 2big n SER 134 Cb 0.10 -0.78 0.35 0.00 -0.26 0.00 0.00 64.21 63.61 2big n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2big n GLU 135 N -2.17 0.45 -2.21 4.33 -0.58 -0.47 -4.95 120.64 115.05 2big n GLU 135 Ca 0.01 -0.25 -0.42 0.00 -0.42 0.00 0.00 57.16 56.08 2big n GLU 135 Cb 0.17 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 2big n GLU 135 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2big s PHE 136 N -2.72 3.26 -0.43 -0.32 0.40 -0.80 -4.76 117.98 112.61 2big s PHE 136 Ca 0.19 1.08 -0.15 0.00 -0.60 0.00 0.00 56.93 57.45 2big s PHE 136 Cb 0.19 -3.63 0.04 0.00 0.51 0.00 0.00 43.02 40.13 2big s PHE 136 CO 0.59 -2.11 0.33 -0.65 0.70 0.00 0.00 175.22 174.09 2big s GLN 137 N 0.64 2.96 0.13 0.44 -1.52 0.41 -5.02 119.66 117.70 2big s GLN 137 Ca 0.61 -1.16 0.04 0.00 -1.95 0.00 0.00 55.36 52.91 2big s GLN 137 Cb -0.36 -4.03 -0.04 0.00 -0.22 0.00 0.00 33.01 28.36 2big s GLN 137 CO 0.33 -0.86 0.09 -0.51 -0.25 0.00 0.00 175.29 174.09 2big s LEU 138 N 1.66 3.74 0.04 2.90 1.43 -1.26 -4.31 118.68 122.88 2big s LEU 138 Ca 0.04 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 2big s LEU 138 Cb -0.21 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2big s LEU 138 CO 0.08 0.12 -0.21 0.20 0.23 0.00 0.00 176.35 176.77 2big s ASN 139 N -2.75 2.51 0.38 2.29 0.01 -1.26 -5.02 114.94 111.10 2big s ASN 139 Ca 0.30 -0.53 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 2big s ASN 139 Cb -0.11 -0.21 0.84 0.00 0.41 0.00 0.00 41.25 42.18 2big s ASN 139 CO 0.22 0.16 1.96 -0.08 -1.51 0.00 0.00 177.10 177.85 2big h GLU 140 N 4.85 0.62 -0.74 -0.60 4.81 -2.00 -1.75 114.58 119.77 2big h GLU 140 Ca -0.43 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.61 2big h GLU 140 Cb 1.16 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.30 2big h GLU 140 CO 0.44 0.41 0.20 0.27 -0.73 0.00 0.00 179.01 179.60 2big n ASN 141 N -4.48 4.85 -4.74 1.04 6.94 -1.26 -4.94 115.26 112.66 2big n ASN 141 Ca 0.11 -3.07 -0.42 0.00 -0.02 0.00 0.00 54.58 51.18 2big n ASN 141 Cb 0.29 -0.72 -0.02 0.00 -2.36 0.00 0.00 39.78 36.96 2big n ASN 141 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2big s ASP 142 N -0.85 6.39 0.19 0.53 1.01 -0.66 -0.89 116.67 122.39 2big s ASP 142 Ca 0.51 2.89 0.06 0.00 0.71 0.00 0.00 52.55 56.73 2big s ASP 142 Cb 0.41 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.78 2big s ASP 142 CO 0.13 -0.93 1.43 0.00 0.21 0.00 0.00 175.17 176.01 2big h ALA 143 N 5.82 0.63 -2.00 5.23 0.00 -0.77 -3.44 119.26 124.73 2big h ALA 143 Ca -0.45 -0.72 0.20 0.00 0.00 0.00 0.00 54.91 53.94 2big h ALA 143 Cb 1.21 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 2big h ALA 143 CO 0.87 0.95 0.61 1.52 0.00 0.00 0.00 179.25 183.21 2big s TYR 144 N -3.22 -0.18 -0.22 0.00 1.13 -1.25 -4.25 117.35 109.37 2big s TYR 144 Ca -0.01 0.01 -0.01 0.00 -1.41 0.00 0.00 57.07 55.65 2big s TYR 144 Cb 0.11 0.57 0.01 0.00 -1.10 0.00 0.00 41.96 41.55 2big s TYR 144 CO 0.81 -0.52 -0.10 -1.17 -2.51 0.00 0.00 175.55 172.05 2big s LEU 145 N -2.67 2.74 -0.14 -3.49 2.96 -0.52 -2.39 118.68 115.16 2big s LEU 145 Ca 0.10 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 2big s LEU 145 Cb 0.00 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2big s LEU 145 CO -0.04 -0.05 0.03 -2.28 -1.32 0.00 0.00 176.35 172.69 2big s HIS 146 N 1.36 3.20 0.23 5.38 5.65 0.11 -0.76 115.29 130.45 2big s HIS 146 Ca 0.03 0.06 0.06 0.00 0.25 0.00 0.00 55.06 55.47 2big s HIS 146 Cb -0.15 -1.96 -0.05 0.00 -1.18 0.00 0.00 32.58 29.25 2big s HIS 146 CO -0.07 0.25 -0.09 0.96 -0.65 0.00 0.00 174.74 175.14 2big s ILE 147 N -0.11 1.52 -0.32 0.89 -4.36 0.44 -0.88 121.20 118.39 2big s ILE 147 Ca 0.05 -2.14 -0.02 0.00 -0.26 0.00 0.00 60.65 58.28 2big s ILE 147 Cb -0.12 -2.20 0.06 0.00 1.25 0.00 0.00 42.46 41.44 2big s ILE 147 CO 0.02 -0.47 0.04 -0.89 0.24 0.00 0.00 174.94 173.87 2big s THR 148 N -3.10 3.10 0.23 8.37 2.01 -1.26 -1.42 115.64 123.56 2big s THR 148 Ca 0.25 -1.47 -0.05 0.00 0.31 0.00 0.00 61.69 60.73 2big s THR 148 Cb 0.02 -2.84 0.09 0.00 0.01 0.00 0.00 72.50 69.79 2big s THR 148 CO 0.08 -0.21 1.71 0.77 -0.69 0.00 0.00 174.62 176.28 2big h SER 149 N 8.02 0.88 -3.20 3.53 4.64 -1.71 -3.40 113.55 122.31 2big h SER 149 Ca -0.20 -0.23 -0.53 0.00 -0.47 0.00 0.00 61.79 60.36 2big h SER 149 Cb 1.06 -0.23 -0.37 0.00 -0.31 0.00 0.00 62.40 62.55 2big h SER 149 CO 0.56 0.94 -0.80 0.21 -0.87 0.00 0.00 176.83 176.87 2big s ASN 150 N -6.62 2.32 -0.91 4.97 2.47 -1.26 -1.01 114.94 114.90 2big s ASN 150 Ca -0.10 -0.37 -0.17 0.00 0.42 0.00 0.00 52.86 52.63 2big s ASN 150 Cb 0.14 -0.87 0.16 0.00 -1.45 0.00 0.00 41.25 39.23 2big s ASN 150 CO 0.83 -0.13 1.03 0.20 -3.72 0.00 0.00 177.10 175.32 2big s ASN 151 N 1.69 6.70 0.39 -4.21 0.01 0.11 -4.64 114.94 114.99 2big s ASN 151 Ca 0.04 -2.30 0.13 0.00 -0.71 0.00 0.00 52.86 50.02 2big s ASN 151 Cb -0.13 -2.34 0.94 0.00 0.41 0.00 0.00 41.25 40.13 2big s ASN 151 CO -0.08 -0.89 1.88 0.74 -1.51 0.00 0.00 177.10 177.24 2big h THR 152 N 5.44 0.79 0.08 1.60 2.02 -1.95 0.54 112.91 121.42 2big h THR 152 Ca 0.15 -0.19 -0.26 0.00 0.77 0.00 0.00 66.41 66.88 2big h THR 152 Cb 1.02 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2big h THR 152 CO 1.01 0.10 -1.25 0.40 0.37 0.00 0.00 175.52 176.15 2big h ILE 153 N 0.55 1.46 0.00 3.11 2.04 -1.96 -3.36 117.51 119.35 2big h ILE 153 Ca 0.43 -3.11 0.00 0.00 1.00 0.00 0.00 64.86 63.18 2big h ILE 153 Cb 0.84 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 2big h ILE 153 CO -0.17 0.88 -1.13 -1.22 0.00 0.00 0.00 178.15 176.51 2big n TYR 154 N -3.42 0.14 -2.27 1.37 4.02 -0.67 -4.80 117.16 111.52 2big n TYR 154 Ca -0.08 0.04 -0.08 0.00 -0.01 0.00 0.00 57.90 57.77 2big n TYR 154 Cb 1.00 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 2big n TYR 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2big n GLY 155 N 1.40 0.09 3.48 2.72 0.00 0.09 -4.47 105.19 108.51 2big n GLY 155 Ca 0.02 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 2big n GLY 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2big s THR 156 N -2.51 2.58 -0.19 2.61 -4.23 -1.23 -1.56 115.64 111.11 2big s THR 156 Ca 0.03 -2.23 -0.19 0.00 -1.18 0.00 0.00 61.69 58.13 2big s THR 156 Cb -0.02 -2.33 0.05 0.00 1.34 0.00 0.00 72.50 71.55 2big s THR 156 CO 0.04 -0.32 0.53 -1.58 -0.54 0.00 0.00 174.62 172.75 2big s GLN 157 N -3.29 0.63 0.17 3.99 0.74 -0.38 -0.71 119.66 120.80 2big s GLN 157 Ca 0.28 0.70 -0.32 0.00 0.05 0.00 0.00 55.36 56.07 2big s GLN 157 Cb -0.06 0.31 -0.11 0.00 1.10 0.00 0.00 33.01 34.25 2big s GLN 157 CO 0.14 -0.08 1.65 0.71 -0.55 0.00 0.00 175.29 177.16 2big s TYR 158 N 0.21 2.89 0.03 1.67 1.51 -0.18 -4.71 117.35 118.77 2big s TYR 158 Ca -0.01 0.45 0.10 0.00 -1.01 0.00 0.00 57.07 56.61 2big s TYR 158 Cb -0.04 -4.02 -0.15 0.00 -0.11 0.00 0.00 41.96 37.65 2big s TYR 158 CO 0.01 -3.87 1.24 1.96 -1.11 0.00 0.00 175.55 173.77 2big h GLN 159 N 7.07 0.00 -3.11 -0.62 1.08 -1.91 -3.48 115.11 114.14 2big h GLN 159 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2big h GLN 159 Cb 1.20 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.60 2big h GLN 159 CO 0.93 0.80 0.20 0.54 -0.95 0.00 0.00 178.83 180.36 2big s ASN 160 N -6.55 -0.06 0.07 1.46 2.20 -1.26 -5.18 114.94 105.62 2big s ASN 160 Ca 0.01 -0.93 0.08 0.00 -0.94 0.00 0.00 52.86 51.09 2big s ASN 160 Cb 0.09 0.77 -0.03 0.00 -2.00 0.00 0.00 41.25 40.08 2big s ASN 160 CO 0.80 -1.49 -0.22 -0.36 -2.94 0.00 0.00 177.10 172.89 2big s PHE 161 N -3.15 1.92 0.58 1.54 0.40 -1.26 -5.12 117.98 112.89 2big s PHE 161 Ca 0.15 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.91 2big s PHE 161 Cb -0.05 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 2big s PHE 161 CO 0.10 0.16 1.10 -1.25 0.70 0.00 0.00 175.22 176.03 2big s PRO 162 N -1.54 3.24 -0.56 0.24 0.04 -1.26 -4.97 135.00 130.19 2big s PRO 162 Ca 0.08 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 2big s PRO 162 Cb -0.09 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.50 2big s PRO 162 CO 0.03 -0.90 0.80 -1.21 0.04 0.00 0.00 177.00 175.76 2big s GLU 163 N -3.69 3.18 -0.22 4.56 0.41 -1.26 -5.02 118.70 116.67 2big s GLU 163 Ca 0.68 -0.71 -0.04 0.00 -0.41 0.00 0.00 54.97 54.49 2big s GLU 163 Cb -0.20 -4.12 -0.01 0.00 -1.78 0.00 0.00 34.13 28.01 2big s GLU 163 CO 0.32 -1.44 -0.02 0.42 -0.49 0.00 0.00 175.26 174.05 2big s ILE 164 N 3.33 3.58 0.00 -1.63 -1.09 -1.26 -4.98 121.20 119.15 2big s ILE 164 Ca 0.21 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 2big s ILE 164 Cb -0.17 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 2big s ILE 164 CO 0.14 0.41 0.41 -0.46 -1.23 0.00 0.00 174.94 174.21 2big n ASN 165 N 4.73 0.57 0.05 3.58 0.23 -1.26 -4.74 115.26 118.42 2big n ASN 165 Ca -0.18 -1.17 0.13 0.00 -0.53 0.00 0.00 54.58 52.83 2big n ASN 165 Cb 0.51 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.56 2big n ASN 165 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2big n HIS 166 N -0.09 0.42 -3.52 -2.53 1.44 -1.26 -4.93 115.22 104.76 2big n HIS 166 Ca 0.00 0.12 -0.08 0.00 -2.01 0.00 0.00 57.72 55.75 2big n HIS 166 Cb 0.26 -0.62 -0.02 0.00 0.12 0.00 0.00 29.99 29.72 2big n HIS 166 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2big s ALA 167 N -3.08 -1.85 0.34 1.59 0.00 -1.26 -4.88 121.76 112.62 2big s ALA 167 Ca 0.10 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 2big s ALA 167 Cb 0.15 0.29 -0.10 0.00 0.00 0.00 0.00 23.12 23.47 2big s ALA 167 CO 0.64 -0.65 1.24 -1.25 0.00 0.00 0.00 175.76 175.73 2big s PRO 168 N -2.92 4.33 -0.08 0.00 0.04 -1.26 -4.74 135.00 130.37 2big s PRO 168 Ca 0.05 2.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.91 2big s PRO 168 Cb -0.01 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2big s PRO 168 CO -0.08 -0.15 0.73 -1.17 0.04 0.00 0.00 177.00 176.38 2big s LEU 169 N -1.89 4.29 -0.08 -3.56 2.96 -1.26 -1.44 118.68 117.69 2big s LEU 169 Ca 0.50 1.20 0.04 0.00 -0.22 0.00 0.00 54.13 55.65 2big s LEU 169 Cb -0.36 -3.12 -0.00 0.00 0.50 0.00 0.00 46.19 43.20 2big s LEU 169 CO 0.48 -0.17 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.48 2big s ILE 170 N 1.05 1.89 -0.05 6.68 -1.09 0.06 -0.11 121.20 129.63 2big s ILE 170 Ca 0.38 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.89 2big s ILE 170 Cb -0.18 -1.63 0.01 0.00 -1.58 0.00 0.00 42.46 39.08 2big s ILE 170 CO 0.18 0.52 -0.10 0.00 -1.23 0.00 0.00 174.94 174.31 2big s ALA 171 N 0.27 1.02 -0.69 9.38 0.00 -0.66 -0.42 121.76 130.65 2big s ALA 171 Ca -0.14 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 2big s ALA 171 Cb -0.16 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.54 2big s ALA 171 CO 0.07 0.10 1.20 0.34 0.00 0.00 0.00 175.76 177.47 2big s ASP 172 N 0.55 6.21 -0.30 0.00 2.15 -0.51 -1.48 116.67 123.29 2big s ASP 172 Ca -0.10 -0.46 0.10 0.00 0.43 0.00 0.00 52.55 52.52 2big s ASP 172 Cb -0.13 -2.53 0.63 0.00 -0.30 0.00 0.00 42.92 40.58 2big s ASP 172 CO 0.02 -1.69 1.65 0.23 -0.17 0.00 0.00 175.17 175.21 2big n MET 173 N 8.87 2.82 -0.27 4.34 2.81 0.08 -1.75 117.12 134.02 2big n MET 173 Ca 0.03 -3.06 0.08 0.00 -1.81 0.00 0.00 57.70 52.94 2big n MET 173 Cb 0.48 -2.02 0.21 0.00 -0.71 0.00 0.00 33.22 31.18 2big n MET 173 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2big h SER 174 N 1.78 -0.10 -0.54 7.83 0.02 -1.87 -0.03 113.55 120.64 2big h SER 174 Ca 0.25 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2big h SER 174 Cb 2.05 0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.85 2big h SER 174 CO 0.59 -0.12 0.00 -1.54 -1.14 0.00 0.00 176.83 174.62 2big n SER 175 N -5.24 3.70 0.00 3.07 3.41 -1.26 -4.40 113.62 112.90 2big n SER 175 Ca 0.17 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 2big n SER 175 Cb 0.55 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2big n SER 175 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2big n ASP 176 N 1.57 0.00 -4.75 4.04 5.75 -0.85 -4.84 116.55 117.47 2big n ASP 176 Ca 0.22 -1.00 -0.41 0.00 -0.01 0.00 0.00 54.79 53.58 2big n ASP 176 Cb 0.62 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.69 2big n ASP 176 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2big s ILE 177 N 0.00 2.10 -1.46 2.12 1.10 -0.08 -2.25 121.20 122.73 2big s ILE 177 Ca 0.00 0.08 -0.08 0.00 -0.51 0.00 0.00 60.65 60.14 2big s ILE 177 Cb 0.00 -3.05 0.04 0.00 0.15 0.00 0.00 42.46 39.59 2big s ILE 177 CO 0.00 0.01 0.69 -0.11 -2.11 0.00 0.00 174.94 173.42 2big n LEU 178 N 2.18 -2.43 -0.73 8.50 7.94 -1.26 -4.78 117.00 126.43 2big n LEU 178 Ca 0.08 -0.41 0.12 0.00 -1.11 0.00 0.00 56.01 54.69 2big n LEU 178 Cb 0.38 -2.69 0.11 0.00 0.53 0.00 0.00 43.42 41.74 2big n LEU 178 CO 0.63 0.29 0.54 -1.54 -1.11 0.00 0.00 177.39 176.20 2big n SER 179 N -2.56 2.45 -3.57 1.96 3.41 -0.95 -4.97 113.62 109.39 2big n SER 179 Ca -0.05 -1.74 -0.05 0.00 -0.26 0.00 0.00 58.87 56.76 2big n SER 179 Cb 0.58 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.68 2big n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2big s ARG 180 N -2.19 0.53 0.70 4.33 1.70 -1.26 -3.55 118.95 119.22 2big s ARG 180 Ca 0.25 -0.21 -0.16 0.00 -0.47 0.00 0.00 55.73 55.15 2big s ARG 180 Cb 0.19 0.23 0.02 0.00 -0.57 0.00 0.00 34.95 34.83 2big s ARG 180 CO 0.41 -0.23 1.22 -2.14 -1.08 0.00 0.00 175.30 173.47 2big s PRO 181 N -2.70 2.29 0.02 3.89 0.02 -1.26 -4.95 135.00 132.32 2big s PRO 181 Ca 0.08 1.80 0.01 0.00 0.02 0.00 0.00 61.00 62.91 2big s PRO 181 Cb -0.01 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 2big s PRO 181 CO -0.06 -1.73 -0.06 -1.17 -0.33 0.00 0.00 177.00 173.66 2big s LEU 182 N -4.93 2.17 -0.79 -5.54 2.96 -1.26 -5.07 118.68 106.22 2big s LEU 182 Ca 0.76 -0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 54.12 2big s LEU 182 Cb -0.30 -0.12 0.17 0.00 0.50 0.00 0.00 46.19 46.44 2big s LEU 182 CO 0.43 -0.14 0.82 -0.54 -1.32 0.00 0.00 176.35 175.60 2big s LYS 183 N -1.09 3.45 0.52 1.98 1.02 -1.26 -4.87 119.74 119.49 2big s LYS 183 Ca -0.08 -2.03 0.26 0.00 0.02 0.00 0.00 55.97 54.14 2big s LYS 183 Cb -0.07 -4.51 1.42 0.00 -0.52 0.00 0.00 37.83 34.15 2big s LYS 183 CO -0.00 -1.45 2.08 0.28 -0.92 0.00 0.00 175.35 175.33 2big h VAL 184 N 5.33 0.64 0.00 3.17 2.07 -1.85 -1.87 116.25 123.74 2big h VAL 184 Ca 0.01 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2big h VAL 184 Cb 1.05 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2big h VAL 184 CO 0.92 0.11 0.00 0.59 0.02 0.00 0.00 177.57 179.22 2big n ASN 185 N -3.75 0.48 0.17 0.57 3.02 -1.26 -1.25 115.26 113.24 2big n ASN 185 Ca -0.02 0.70 0.14 0.00 -0.03 0.00 0.00 54.58 55.36 2big n ASN 185 Cb 0.22 -0.77 0.54 0.00 -0.61 0.00 0.00 39.78 39.16 2big n ASN 185 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2big h GLN 186 N 0.00 0.00 -6.69 3.52 4.20 -1.74 -3.46 115.11 110.94 2big h GLN 186 Ca 0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 2big h GLN 186 Cb 0.08 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.67 2big h GLN 186 CO 0.00 0.00 -0.80 -0.06 -0.67 0.00 0.00 178.83 177.30 2big s PHE 187 N -3.40 2.48 0.01 2.96 0.40 -0.38 -4.49 117.98 115.56 2big s PHE 187 Ca 0.04 -0.29 0.11 0.00 -0.60 0.00 0.00 56.93 56.19 2big s PHE 187 Cb 0.09 -1.29 -0.20 0.00 0.51 0.00 0.00 43.02 42.14 2big s PHE 187 CO 0.46 0.42 0.97 0.78 0.70 0.00 0.00 175.22 178.54 2big h GLY 188 N 3.54 0.00 -4.78 4.36 0.00 -0.81 -3.45 103.07 101.94 2big h GLY 188 Ca -0.49 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 2big h GLY 188 CO 0.46 0.00 0.12 -0.29 0.00 0.00 0.00 176.54 176.84 2big s MET 189 N -2.69 0.87 -0.03 4.80 -2.45 -1.14 -1.02 119.30 117.64 2big s MET 189 Ca -0.02 0.81 0.04 0.00 -1.25 0.00 0.00 55.69 55.27 2big s MET 189 Cb 0.09 0.42 -0.00 0.00 1.25 0.00 0.00 34.83 36.59 2big s MET 189 CO 0.82 -0.15 -0.15 0.42 1.05 0.00 0.00 175.02 177.01 2big s ILE 190 N 0.01 1.23 0.05 10.11 1.01 -0.06 -1.65 121.20 131.91 2big s ILE 190 Ca -0.03 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.01 2big s ILE 190 Cb -0.04 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2big s ILE 190 CO 0.03 0.36 -0.05 -0.72 0.00 0.00 0.00 174.94 174.56 2big s TYR 191 N 0.01 0.59 -0.29 3.97 -0.85 -0.55 -0.52 117.35 119.72 2big s TYR 191 Ca -0.02 -0.79 -0.14 0.00 -0.52 0.00 0.00 57.07 55.60 2big s TYR 191 Cb -0.10 -0.38 0.11 0.00 0.38 0.00 0.00 41.96 41.97 2big s TYR 191 CO 0.01 -0.21 0.75 0.00 -1.52 0.00 0.00 175.55 174.57 2big s ALA 192 N -2.74 -2.07 0.52 9.51 0.00 -0.30 -0.74 121.76 125.94 2big s ALA 192 Ca -0.01 2.34 -0.22 0.00 0.00 0.00 0.00 51.96 54.07 2big s ALA 192 Cb -0.01 -1.63 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 2big s ALA 192 CO -0.04 -0.60 1.27 0.41 0.00 0.00 0.00 175.76 176.80 2big n GLY 193 N 4.64 0.54 0.25 0.00 0.00 -1.26 -1.01 105.19 108.34 2big n GLY 193 Ca -0.16 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.05 2big n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2big h ALA 194 N 1.47 1.00 0.00 4.61 0.00 -1.37 -3.39 119.26 121.59 2big h ALA 194 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2big h ALA 194 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2big h ALA 194 CO 0.57 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2big n GLN 195 N -3.02 0.87 -0.04 0.00 0.00 -1.23 -1.20 117.38 112.76 2big n GLN 195 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 56.93 2big n GLN 195 Cb 0.38 -1.21 -0.03 0.00 0.00 0.00 0.00 30.24 29.39 2big n GLN 195 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2big n LYS 196 N -0.23 0.23 0.00 2.61 5.02 -1.26 -3.03 118.16 121.50 2big n LYS 196 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2big n LYS 196 Cb 0.10 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 2big n LYS 196 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2big n ASN 197 N -3.63 0.20 -0.00 4.39 5.15 -1.19 -4.58 115.26 115.60 2big n ASN 197 Ca -0.16 -0.58 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 2big n ASN 197 Cb 0.50 0.73 -0.00 0.00 -0.53 0.00 0.00 39.78 40.48 2big n ASN 197 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2big n LEU 198 N -0.73 0.00 0.00 1.20 4.77 -0.34 -4.79 117.00 117.12 2big n LEU 198 Ca 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2big n LEU 198 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2big n LEU 198 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2big n GLY 199 N 2.13 -1.53 3.90 -0.72 0.00 -0.49 -4.30 105.19 104.17 2big n GLY 199 Ca -0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 2big n GLY 199 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2big s PRO 200 N -1.65 2.30 0.64 1.61 0.04 -1.26 -3.58 135.00 133.11 2big s PRO 200 Ca 0.00 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.08 2big s PRO 200 Cb 0.00 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 2big s PRO 200 CO 0.00 -1.36 1.09 0.45 0.04 0.00 0.00 177.00 177.22 2big s SER 201 N -4.49 5.31 0.00 6.66 0.15 -1.26 -3.89 113.70 116.17 2big s SER 201 Ca 0.60 1.92 0.00 0.00 0.70 0.00 0.00 55.95 59.18 2big s SER 201 Cb -0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2big s SER 201 CO 0.49 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 174.05 2big n GLY 202 N -0.74 1.36 3.12 9.45 0.00 -1.26 -4.91 105.19 112.21 2big n GLY 202 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2big n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2big s VAL 203 N -2.00 1.01 -0.13 1.61 0.11 -1.26 -4.62 120.40 115.11 2big s VAL 203 Ca 0.00 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.14 2big s VAL 203 Cb 0.00 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2big s VAL 203 CO 0.00 -0.01 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.65 2big s THR 204 N -0.83 2.03 -0.12 5.04 2.01 0.67 -1.16 115.64 123.29 2big s THR 204 Ca 0.01 -0.97 -0.20 0.00 0.31 0.00 0.00 61.69 60.84 2big s THR 204 Cb -0.08 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 2big s THR 204 CO 0.01 0.55 0.55 -0.69 -0.69 0.00 0.00 174.62 174.35 2big s VAL 205 N 0.76 5.13 -0.14 3.82 1.01 -0.18 -0.96 120.40 129.85 2big s VAL 205 Ca -0.08 1.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 2big s VAL 205 Cb -0.16 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.36 2big s VAL 205 CO -0.01 0.27 -0.10 -0.69 0.00 0.00 0.00 175.10 174.57 2big s VAL 206 N 0.91 1.30 -0.30 2.92 1.01 -0.39 -1.15 120.40 124.70 2big s VAL 206 Ca 0.29 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 2big s VAL 206 Cb -0.16 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 2big s VAL 206 CO 0.12 0.36 0.14 -0.63 0.00 0.00 0.00 175.10 175.09 2big s ILE 207 N 1.59 4.63 -0.01 2.22 1.01 0.33 0.05 121.20 131.02 2big s ILE 207 Ca 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2big s ILE 207 Cb -0.13 -3.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 2big s ILE 207 CO -0.09 0.14 -0.07 0.54 0.00 0.00 0.00 174.94 175.46 2big s VAL 208 N 1.63 0.53 -0.05 2.92 0.11 -0.24 -0.88 120.40 124.43 2big s VAL 208 Ca 0.05 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 2big s VAL 208 Cb -0.17 -0.46 -0.06 0.00 -1.53 0.00 0.00 36.38 34.17 2big s VAL 208 CO 0.06 0.16 1.71 -0.75 -3.33 0.00 0.00 175.10 172.95 2big s LYS 209 N -0.09 4.14 0.23 1.54 2.20 -0.18 -0.71 119.74 126.87 2big s LYS 209 Ca 0.02 2.23 -0.08 0.00 -0.36 0.00 0.00 55.97 57.78 2big s LYS 209 Cb -0.03 -4.02 0.22 0.00 -1.51 0.00 0.00 37.83 32.48 2big s LYS 209 CO -0.00 -0.90 1.91 0.87 -0.36 0.00 0.00 175.35 176.86 2big h LYS 210 N 9.83 1.18 0.00 4.03 1.57 -1.55 -1.77 116.57 129.86 2big h LYS 210 Ca -0.41 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2big h LYS 210 Cb 1.19 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2big h LYS 210 CO 0.95 0.78 0.00 -0.40 -0.57 0.00 0.00 179.45 180.21 2big n ASP 211 N -4.46 0.60 0.12 0.86 5.75 -1.26 -1.83 116.55 116.32 2big n ASP 211 Ca 0.10 0.58 -0.01 0.00 -0.01 0.00 0.00 54.79 55.44 2big n ASP 211 Cb 0.01 -0.73 0.23 0.00 -1.03 0.00 0.00 41.12 39.60 2big n ASP 211 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2big h LEU 212 N 0.00 0.14 -7.12 -2.12 5.85 -1.71 -3.56 115.31 106.80 2big h LEU 212 Ca 0.00 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 2big h LEU 212 Cb 0.59 -0.04 -0.21 0.00 0.37 0.00 0.00 40.66 41.38 2big h LEU 212 CO 0.00 0.60 0.04 -0.22 -0.34 0.00 0.00 178.44 178.52 2big s LEU 213 N -8.04 -0.32 0.00 2.25 2.96 -0.76 -5.07 118.68 109.69 2big s LEU 213 Ca -0.03 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 2big s LEU 213 Cb 0.13 2.17 0.00 0.00 0.50 0.00 0.00 46.19 48.99 2big s LEU 213 CO 0.76 -0.39 0.00 0.55 -1.32 0.00 0.00 176.35 175.95 2big n VAL 217 N 1.89 0.00 -1.31 1.68 3.14 -1.26 -3.27 118.33 119.20 2big n VAL 217 Ca -0.17 0.00 -0.51 0.00 -2.96 0.00 0.00 64.34 60.70 2big n VAL 217 Cb 0.56 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.27 2big n VAL 217 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2big n GLU 218 N 0.00 0.00 -0.23 1.45 0.28 -1.26 -1.68 120.64 119.20 2big n GLU 218 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2big n GLU 218 Cb 0.00 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 31.56 2big n GLU 218 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2big n GLN 219 N 1.32 0.00 -3.03 3.44 6.02 -1.26 -5.01 117.38 118.86 2big n GLN 219 Ca 0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.77 2big n GLN 219 Cb 0.07 -1.42 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 2big n GLN 219 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2big s VAL 220 N -3.03 4.91 0.42 5.09 1.01 -0.67 -5.02 120.40 123.11 2big s VAL 220 Ca 0.00 1.52 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 2big s VAL 220 Cb 0.00 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 2big s VAL 220 CO 0.00 0.31 0.91 -2.65 0.00 0.00 0.00 175.10 173.66 2big n PRO 221 N 3.32 1.15 -0.17 2.72 -0.02 -1.26 -4.76 135.00 135.98 2big n PRO 221 Ca -0.02 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 61.86 2big n PRO 221 Cb 0.51 -1.92 0.07 0.00 -0.02 0.00 0.00 33.50 32.14 2big n PRO 221 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2big h THR 222 N 1.36 0.55 0.00 3.45 2.02 -1.96 0.23 112.91 118.55 2big h THR 222 Ca -0.43 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2big h THR 222 Cb 1.35 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2big h THR 222 CO 0.56 0.02 0.00 0.24 0.37 0.00 0.00 175.52 176.70 2big h MET 223 N 0.10 0.00 -0.25 6.66 2.86 -2.02 -2.86 114.93 119.43 2big h MET 223 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2big h MET 223 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2big h MET 223 CO -0.47 0.00 0.00 1.28 1.06 0.00 0.00 176.91 178.78 2big n LEU 224 N -2.73 3.11 -4.70 1.22 4.77 0.04 -4.88 117.00 113.83 2big n LEU 224 Ca 0.00 -1.35 -0.39 0.00 -0.03 0.00 0.00 56.01 54.24 2big n LEU 224 Cb 0.23 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2big n LEU 224 CO 0.22 0.63 0.35 -1.10 -1.33 0.00 0.00 177.39 176.17 2big s GLN 225 N -1.50 4.35 0.35 3.23 -0.21 -1.03 -4.80 119.66 120.04 2big s GLN 225 Ca 0.31 0.72 0.06 0.00 0.02 0.00 0.00 55.36 56.47 2big s GLN 225 Cb 0.20 -3.49 0.72 0.00 1.00 0.00 0.00 33.01 31.43 2big s GLN 225 CO 0.28 -0.02 1.93 1.88 -2.12 0.00 0.00 175.29 177.23 2big h TYR 226 N 6.98 0.83 -0.98 0.91 -1.99 -1.89 -2.59 116.97 118.24 2big h TYR 226 Ca -0.38 0.02 0.12 0.00 2.00 0.00 0.00 58.73 60.49 2big h TYR 226 Cb 1.17 -0.27 -0.08 0.00 2.00 0.00 0.00 36.73 39.55 2big h TYR 226 CO 0.66 0.41 0.62 0.00 -0.00 0.00 0.00 178.16 179.85 2big h ALA 227 N 1.58 1.57 -0.43 3.88 0.00 -1.92 -0.13 119.26 123.81 2big h ALA 227 Ca 0.36 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.35 2big h ALA 227 Cb 0.36 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2big h ALA 227 CO -0.14 0.19 0.12 1.15 0.00 0.00 0.00 179.25 180.58 2big h THR 228 N 0.95 0.82 0.00 0.00 2.02 -1.72 -0.93 112.91 114.06 2big h THR 228 Ca 0.48 -0.09 -0.21 0.00 0.77 0.00 0.00 66.41 67.35 2big h THR 228 Cb 0.49 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2big h THR 228 CO -0.24 0.05 -0.91 0.45 0.37 0.00 0.00 175.52 175.24 2big h HIS 229 N 0.27 0.46 0.14 3.16 3.86 -1.35 -2.55 115.15 119.15 2big h HIS 229 Ca 0.21 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2big h HIS 229 Cb 0.23 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2big h HIS 229 CO -0.18 1.06 -0.07 0.82 0.86 0.00 0.00 177.93 180.43 2big h ILE 230 N 0.17 0.91 -0.08 2.45 2.04 -0.91 -0.15 117.51 121.94 2big h ILE 230 Ca -0.06 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 2big h ILE 230 Cb 1.54 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2big h ILE 230 CO 0.15 0.05 -0.22 0.50 0.00 0.00 0.00 178.15 178.62 2big h LYS 231 N -0.28 0.14 -0.38 2.37 3.64 -1.17 -2.70 116.57 118.20 2big h LYS 231 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2big h LYS 231 Cb 0.22 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2big h LYS 231 CO 0.03 0.37 0.00 0.43 -2.27 0.00 0.00 179.45 178.01 2big n SER 232 N -4.22 3.16 -3.88 4.20 7.64 -0.96 -4.96 113.62 114.60 2big n SER 232 Ca -0.01 -1.95 -0.29 0.00 1.01 0.00 0.00 58.87 57.63 2big n SER 232 Cb 0.32 -0.25 0.03 0.00 -1.01 0.00 0.00 64.21 63.30 2big n SER 232 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2big n ASP 233 N 1.29 -4.24 -2.45 6.43 2.03 -0.61 -1.62 116.55 117.37 2big n ASP 233 Ca 0.19 -0.78 -0.21 0.00 0.52 0.00 0.00 54.79 54.51 2big n ASP 233 Cb 0.55 -3.92 -0.00 0.00 -0.72 0.00 0.00 41.12 37.03 2big n ASP 233 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2big n SER 234 N -2.87 -5.92 -0.49 1.67 7.64 -0.17 -4.87 113.62 108.61 2big n SER 234 Ca -0.01 -0.06 0.06 0.00 1.01 0.00 0.00 58.87 59.87 2big n SER 234 Cb 0.55 -4.90 0.12 0.00 -1.01 0.00 0.00 64.21 58.97 2big n SER 234 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2big n LEU 235 N -3.12 1.90 -0.02 -3.43 4.77 -0.64 -4.66 117.00 111.80 2big n LEU 235 Ca -0.23 -2.86 -0.11 0.00 -0.03 0.00 0.00 56.01 52.78 2big n LEU 235 Cb 0.68 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 2big n LEU 235 CO 0.31 0.82 0.85 0.22 -1.33 0.00 0.00 177.39 178.27 2big h TYR 236 N 0.44 0.17 -4.25 -1.77 3.20 -1.87 -3.45 116.97 109.44 2big h TYR 236 Ca -0.03 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.64 2big h TYR 236 Cb 1.18 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.36 2big h TYR 236 CO 0.27 0.22 -0.14 0.27 -1.64 0.00 0.00 178.16 177.14 2big n ASN 237 N -4.94 2.30 -4.67 -2.11 6.94 -1.26 -5.08 115.26 106.44 2big n ASN 237 Ca -0.05 -1.65 -0.42 0.00 -0.02 0.00 0.00 54.58 52.43 2big n ASN 237 Cb 0.09 0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.60 2big n ASN 237 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2big s THR 238 N -1.57 3.85 0.82 5.53 2.01 -1.26 -4.99 115.64 120.03 2big s THR 238 Ca 0.00 1.13 -0.12 0.00 0.31 0.00 0.00 61.69 63.02 2big s THR 238 Cb 0.00 -3.73 0.09 0.00 0.01 0.00 0.00 72.50 68.86 2big s THR 238 CO 0.00 -0.05 1.16 -2.16 -0.69 0.00 0.00 174.62 172.88 2big s PRO 239 N 3.11 1.88 -1.21 4.92 0.04 -1.26 -4.93 135.00 137.54 2big s PRO 239 Ca 0.64 0.21 -0.20 0.00 0.04 0.00 0.00 61.00 61.69 2big s PRO 239 Cb -0.29 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.35 2big s PRO 239 CO 0.24 -1.67 1.74 -1.25 0.04 0.00 0.00 177.00 176.09 2big s PRO 240 N -5.47 3.58 0.16 0.56 0.04 -1.26 -4.84 135.00 127.77 2big s PRO 240 Ca 0.62 -1.61 -0.15 0.00 0.04 0.00 0.00 61.00 59.89 2big s PRO 240 Cb -0.12 -5.43 0.03 0.00 0.04 0.00 0.00 34.50 29.02 2big s PRO 240 CO 0.51 -2.62 1.81 1.79 0.04 0.00 0.00 177.00 178.52 2big h THR 241 N 5.97 1.13 -0.50 1.26 1.35 -1.95 -1.23 112.91 118.94 2big h THR 241 Ca 0.35 -0.25 -0.11 0.00 -0.55 0.00 0.00 66.41 65.85 2big h THR 241 Cb 0.91 0.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 2big h THR 241 CO 1.40 0.12 -0.11 0.15 -0.25 0.00 0.00 175.52 176.83 2big h PHE 242 N 0.61 1.03 -0.67 4.73 3.57 -1.88 -0.69 116.94 123.63 2big h PHE 242 Ca 0.16 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2big h PHE 242 Cb -0.05 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 2big h PHE 242 CO -0.04 0.98 0.21 0.77 -2.23 0.00 0.00 178.31 178.00 2big h SER 243 N 0.83 0.95 -0.18 0.41 0.02 -1.79 -0.14 113.55 113.65 2big h SER 243 Ca 0.13 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.76 2big h SER 243 Cb 0.65 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2big h SER 243 CO 0.04 0.89 -0.44 0.40 -1.14 0.00 0.00 176.83 176.58 2big h ILE 244 N 0.99 1.29 -0.29 3.27 2.04 -0.99 -0.33 117.51 123.48 2big h ILE 244 Ca 0.22 -1.62 0.05 0.00 1.00 0.00 0.00 64.86 64.50 2big h ILE 244 Cb 0.27 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 2big h ILE 244 CO -0.01 0.52 0.03 0.22 0.00 0.00 0.00 178.15 178.91 2big h TYR 245 N 0.59 0.04 -0.69 1.37 3.20 -0.84 -0.06 116.97 120.57 2big h TYR 245 Ca 0.04 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 2big h TYR 245 Cb 0.99 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 2big h TYR 245 CO 0.05 -0.02 0.23 0.52 -1.64 0.00 0.00 178.16 177.30 2big h MET 246 N 0.12 1.07 -0.46 1.82 2.86 -0.83 -1.22 114.93 118.29 2big h MET 246 Ca 0.14 -0.22 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2big h MET 246 Cb 0.17 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 2big h MET 246 CO -0.21 0.91 0.05 1.25 1.06 0.00 0.00 176.91 179.97 2big h LEU 247 N 1.01 -0.09 -0.27 1.22 5.85 -0.76 -0.20 115.31 122.07 2big h LEU 247 Ca 0.22 0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.09 2big h LEU 247 Cb 0.28 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 2big h LEU 247 CO -0.01 -0.01 -0.06 -0.09 -0.34 0.00 0.00 178.44 177.93 2big h ARG 248 N 0.17 0.01 -0.82 1.25 1.12 -0.46 0.51 114.38 116.17 2big h ARG 248 Ca 0.23 -0.00 0.04 0.00 -1.11 0.00 0.00 59.98 59.14 2big h ARG 248 Cb 0.32 -0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.22 2big h ARG 248 CO -0.34 0.01 0.52 -0.91 -3.11 0.00 0.00 179.97 176.14 2big h ASN 249 N 0.01 0.84 -0.52 -3.80 4.21 -0.59 0.09 115.58 115.82 2big h ASN 249 Ca 0.13 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.60 2big h ASN 249 Cb 0.20 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 2big h ASN 249 CO -0.27 0.57 0.17 0.58 -1.29 0.00 0.00 177.43 177.18 2big h VAL 250 N 0.99 1.23 -0.50 2.81 2.07 -0.47 -2.38 116.25 120.00 2big h VAL 250 Ca 0.34 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 2big h VAL 250 Cb 0.06 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2big h VAL 250 CO -0.13 0.29 0.13 -0.07 0.02 0.00 0.00 177.57 177.81 2big h LEU 251 N 0.71 0.70 -1.12 2.57 3.38 -0.42 -0.97 115.31 120.17 2big h LEU 251 Ca 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2big h LEU 251 Cb 0.27 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2big h LEU 251 CO -0.01 0.68 0.45 0.44 0.09 0.00 0.00 178.44 180.10 2big h ASP 252 N 0.73 0.94 -0.43 -0.43 3.32 -0.78 -0.62 116.42 119.15 2big h ASP 252 Ca 0.17 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2big h ASP 252 Cb 0.26 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2big h ASP 252 CO -0.00 0.73 0.07 -0.25 -1.72 0.00 0.00 179.24 178.07 2big h TRP 253 N 1.07 0.75 -0.53 4.55 7.01 -0.80 0.33 115.95 128.34 2big h TRP 253 Ca 0.28 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2big h TRP 253 Cb -0.02 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 2big h TRP 253 CO 0.01 0.73 0.28 0.82 -2.79 0.00 0.00 178.44 177.48 2big h ILE 254 N 0.56 1.18 -0.37 2.65 2.04 -0.86 -2.29 117.51 120.43 2big h ILE 254 Ca 0.13 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2big h ILE 254 Cb 0.38 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2big h ILE 254 CO 0.01 0.20 0.24 0.50 0.00 0.00 0.00 178.15 179.10 2big h LYS 255 N 0.71 0.47 0.00 2.37 3.64 -0.94 -0.72 116.57 122.09 2big h LYS 255 Ca 0.18 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2big h LYS 255 Cb 0.06 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2big h LYS 255 CO -0.03 0.31 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.93 2big h ASP 256 N 0.48 0.00 0.29 4.20 3.32 -0.61 -0.91 116.42 123.20 2big h ASP 256 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2big h ASP 256 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2big h ASP 256 CO -0.04 0.09 -0.12 0.00 -1.72 0.00 0.00 179.24 177.45 2big n LEU 257 N -4.30 0.64 0.00 1.55 -0.00 -0.89 -4.89 117.00 109.10 2big n LEU 257 Ca -0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 2big n LEU 257 Cb 0.17 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 2big n LEU 257 CO 0.34 0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.46 2big n GLY 258 N 1.27 1.28 5.67 1.47 0.00 -0.35 -4.81 105.19 109.72 2big n GLY 258 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2big n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2big n GLY 259 N -0.20 -1.70 0.26 -0.02 0.00 -0.30 -3.97 105.19 99.27 2big n GLY 259 Ca 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.54 2big n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2big h ALA 260 N 0.00 1.31 -0.23 4.61 0.00 -1.86 -1.02 119.26 122.07 2big h ALA 260 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 2big h ALA 260 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2big h ALA 260 CO 0.00 0.46 -0.52 0.93 0.00 0.00 0.00 179.25 180.12 2big h GLU 261 N 0.45 0.65 -0.34 0.00 5.08 -1.93 -1.30 114.58 117.19 2big h GLU 261 Ca 0.09 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 2big h GLU 261 Cb 0.43 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2big h GLU 261 CO 0.02 1.01 -0.07 0.00 -1.00 0.00 0.00 179.01 178.98 2big h ALA 262 N 0.91 0.47 -0.36 3.43 0.00 -1.54 -2.12 119.26 120.06 2big h ALA 262 Ca 0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2big h ALA 262 Cb 1.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2big h ALA 262 CO 0.10 0.30 -0.09 0.97 0.00 0.00 0.00 179.25 180.53 2big h ILE 263 N 0.44 1.24 -0.70 0.00 6.09 -1.17 -2.22 117.51 121.19 2big h ILE 263 Ca 0.09 -1.04 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 2big h ILE 263 Cb 0.56 1.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.88 2big h ILE 263 CO 0.03 0.35 0.44 0.00 -3.07 0.00 0.00 178.15 175.90 2big h ALA 264 N 1.34 0.90 -0.84 0.18 0.00 -1.08 0.69 119.26 120.45 2big h ALA 264 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2big h ALA 264 Cb 0.50 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2big h ALA 264 CO 0.03 0.35 0.44 0.87 0.00 0.00 0.00 179.25 180.94 2big h LYS 265 N 0.96 1.18 -0.48 0.00 1.57 -1.09 0.94 116.57 119.66 2big h LYS 265 Ca 0.26 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2big h LYS 265 Cb -0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 2big h LYS 265 CO -0.05 0.88 0.17 1.96 -0.57 0.00 0.00 179.45 181.84 2big h GLN 266 N 1.17 0.73 -0.38 3.15 4.20 -0.79 -2.12 115.11 121.07 2big h GLN 266 Ca 0.29 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 2big h GLN 266 Cb 0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2big h GLN 266 CO -0.04 0.67 -0.20 -0.91 -0.67 0.00 0.00 178.83 177.68 2big h ASN 267 N 0.63 0.74 -0.68 1.46 2.35 -0.53 -1.36 115.58 118.19 2big h ASN 267 Ca 0.16 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 2big h ASN 267 Cb 0.24 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2big h ASN 267 CO -0.01 0.93 0.27 -0.33 -1.65 0.00 0.00 177.43 176.64 2big h GLU 268 N 0.65 1.05 -0.36 0.81 5.08 -0.70 -1.32 114.58 119.79 2big h GLU 268 Ca 0.10 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2big h GLU 268 Cb 0.69 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2big h GLU 268 CO 0.05 0.86 -0.13 1.49 -1.00 0.00 0.00 179.01 180.29 2big h GLU 269 N 1.02 0.73 -0.14 2.33 4.57 -1.01 -0.75 114.58 121.34 2big h GLU 269 Ca 0.24 -0.30 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2big h GLU 269 Cb 0.22 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2big h GLU 269 CO -0.02 0.90 0.01 0.87 -1.18 0.00 0.00 179.01 179.59 2big h LYS 270 N 0.52 0.07 -0.75 1.92 1.57 -1.08 -2.24 116.57 116.58 2big h LYS 270 Ca 0.09 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2big h LYS 270 Cb 0.65 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 2big h LYS 270 CO 0.04 0.04 0.24 0.00 -0.57 0.00 0.00 179.45 179.21 2big h ALA 271 N 1.11 0.98 -0.84 3.86 0.00 -1.19 -2.67 119.26 120.52 2big h ALA 271 Ca 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2big h ALA 271 Cb 0.07 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2big h ALA 271 CO -0.10 0.66 0.53 -0.22 0.00 0.00 0.00 179.25 180.12 2big h LYS 272 N 1.11 0.98 -0.59 0.00 3.64 -0.86 -0.07 116.57 120.78 2big h LYS 272 Ca 0.24 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2big h LYS 272 Cb 0.30 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 2big h LYS 272 CO -0.01 0.65 0.34 0.82 -2.27 0.00 0.00 179.45 178.98 2big h ILE 273 N 1.00 1.03 -0.00 2.00 2.04 -1.06 0.12 117.51 122.65 2big h ILE 273 Ca 0.35 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.84 2big h ILE 273 Cb 0.08 0.31 0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2big h ILE 273 CO -0.14 0.12 -0.54 0.40 0.00 0.00 0.00 178.15 177.99 2big h ILE 274 N 0.67 1.45 -0.50 -0.67 2.04 -1.24 -2.65 117.51 116.61 2big h ILE 274 Ca 0.24 -2.05 -0.08 0.00 1.00 0.00 0.00 64.86 63.97 2big h ILE 274 Cb 0.07 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 2big h ILE 274 CO -0.12 0.59 -0.03 1.88 0.00 0.00 0.00 178.15 180.47 2big h TYR 275 N -0.18 0.93 -0.45 1.37 0.99 -0.98 -1.50 116.97 117.15 2big h TYR 275 Ca -0.07 -0.15 -0.04 0.00 2.00 0.00 0.00 58.73 60.47 2big h TYR 275 Cb 1.26 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 38.72 2big h TYR 275 CO 0.15 0.86 0.10 -0.44 -0.00 0.00 0.00 178.16 178.84 2big h ASP 276 N 0.80 0.62 -0.46 3.88 3.32 -1.03 0.15 116.42 123.71 2big h ASP 276 Ca 0.15 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2big h ASP 276 Cb 0.51 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2big h ASP 276 CO 0.03 0.63 -0.01 0.74 -1.72 0.00 0.00 179.24 178.91 2big h THR 277 N 0.66 1.26 -0.01 0.35 2.02 -1.01 0.37 112.91 116.55 2big h THR 277 Ca 0.15 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 2big h THR 277 Cb 0.26 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2big h THR 277 CO -0.00 0.37 0.01 0.40 0.37 0.00 0.00 175.52 176.66 2big h ILE 278 N 0.66 1.04 0.00 3.11 2.04 -0.93 -2.96 117.51 120.47 2big h ILE 278 Ca 0.13 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 2big h ILE 278 Cb 0.51 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2big h ILE 278 CO 0.02 0.03 -0.36 0.44 0.00 0.00 0.00 178.15 178.29 2big h ASP 279 N -0.04 0.00 -0.09 1.72 3.32 -0.46 -2.30 116.42 118.58 2big h ASP 279 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2big h ASP 279 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2big h ASP 279 CO -0.00 0.36 0.00 -0.62 -1.72 0.00 0.00 179.24 177.26 2big n GLU 280 N -3.86 1.64 -0.08 3.56 1.02 0.10 -4.35 120.64 118.67 2big n GLU 280 Ca -0.01 -0.95 0.08 0.00 -0.02 0.00 0.00 57.16 56.25 2big n GLU 280 Cb 0.43 -1.43 0.30 0.00 -0.02 0.00 0.00 31.44 30.72 2big n GLU 280 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2big n SER 281 N 0.16 1.15 -3.81 1.62 3.41 -0.86 -4.90 113.62 110.37 2big n SER 281 Ca 0.18 -1.76 -0.29 0.00 -0.26 0.00 0.00 58.87 56.74 2big n SER 281 Cb 0.32 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 2big n SER 281 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2big n ASN 282 N 0.03 -4.98 0.00 4.04 5.03 -1.26 -1.75 115.26 116.37 2big n ASN 282 Ca 0.12 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.87 2big n ASN 282 Cb 0.22 -3.97 0.00 0.00 -1.02 0.00 0.00 39.78 35.01 2big n ASN 282 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2big n GLY 283 N -1.68 0.77 0.26 7.41 0.00 -1.26 -4.93 105.19 105.76 2big n GLY 283 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2big n GLY 283 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2big h PHE 284 N 0.00 0.90 -3.59 1.61 3.57 -1.67 -3.41 116.94 114.35 2big h PHE 284 Ca 0.00 -0.22 -0.67 0.00 3.53 0.00 0.00 57.97 60.61 2big h PHE 284 Cb 0.00 -0.21 -0.23 0.00 2.79 0.00 0.00 35.95 38.30 2big h PHE 284 CO 0.00 0.96 -0.73 0.71 -2.23 0.00 0.00 178.31 177.02 2big s TYR 285 N -4.54 2.85 -0.10 0.41 1.51 -1.26 -3.84 117.35 112.38 2big s TYR 285 Ca -0.09 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 2big s TYR 285 Cb 0.13 -1.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 2big s TYR 285 CO 0.84 0.07 -0.13 0.08 -1.11 0.00 0.00 175.55 175.30 2big s VAL 286 N -0.24 1.30 0.44 0.71 1.01 -0.09 -4.78 120.40 118.74 2big s VAL 286 Ca 0.02 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 2big s VAL 286 Cb -0.13 -1.21 -0.10 0.00 0.00 0.00 0.00 36.38 34.94 2big s VAL 286 CO 0.03 0.40 0.99 -0.83 0.00 0.00 0.00 175.10 175.69 2big s GLY 287 N 1.08 2.50 0.09 4.51 0.00 -1.26 -1.23 107.32 113.01 2big s GLY 287 Ca -0.06 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.04 2big s GLY 287 CO -0.02 0.83 1.25 0.45 0.00 0.00 0.00 173.10 175.61 2big h HIS 288 N 1.95 1.04 -3.77 1.90 3.86 -1.60 -3.46 115.15 115.07 2big h HIS 288 Ca -0.49 -0.51 -0.50 0.00 -1.16 0.00 0.00 60.37 57.71 2big h HIS 288 Cb 1.20 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 2big h HIS 288 CO 0.60 1.35 0.40 0.00 0.86 0.00 0.00 177.93 181.14 2big s ALA 289 N -3.52 3.36 0.45 2.45 0.00 -1.26 -4.76 121.76 118.49 2big s ALA 289 Ca -0.10 0.73 -0.24 0.00 0.00 0.00 0.00 51.96 52.35 2big s ALA 289 Cb 0.08 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 2big s ALA 289 CO 0.91 0.06 1.20 0.39 0.00 0.00 0.00 175.76 178.32 2big n GLU 290 N 1.35 1.69 -0.33 0.00 1.02 -0.23 -4.85 120.64 119.30 2big n GLU 290 Ca -0.02 0.61 0.05 0.00 -0.02 0.00 0.00 57.16 57.78 2big n GLU 290 Cb 0.46 -2.32 0.20 0.00 -0.02 0.00 0.00 31.44 29.76 2big n GLU 290 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2big h LYS 291 N 1.75 0.87 0.00 3.49 1.57 -1.95 -0.79 116.57 121.51 2big h LYS 291 Ca -0.48 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2big h LYS 291 Cb 1.31 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2big h LYS 291 CO 0.58 0.57 0.00 0.41 -0.57 0.00 0.00 179.45 180.45 2big n GLY 292 N -1.33 -0.98 0.23 3.86 0.00 -1.26 -2.44 105.19 103.26 2big n GLY 292 Ca 0.16 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.17 2big n GLY 292 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2big n SER 293 N -1.59 2.15 -4.73 1.61 7.64 -0.33 -4.89 113.62 113.49 2big n SER 293 Ca 0.03 -1.83 -0.42 0.00 1.01 0.00 0.00 58.87 57.65 2big n SER 293 Cb 0.16 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 2big n SER 293 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2big n ARG 294 N -0.04 2.71 -2.46 1.43 1.74 -1.02 -1.25 116.66 117.77 2big n ARG 294 Ca 0.04 0.97 -0.39 0.00 -0.77 0.00 0.00 57.85 57.70 2big n ARG 294 Cb 0.27 -2.78 -0.04 0.00 -1.02 0.00 0.00 32.46 28.90 2big n ARG 294 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2big s SER 295 N 0.81 6.99 0.00 0.55 0.15 -0.60 -4.55 113.70 117.04 2big s SER 295 Ca 0.69 2.22 0.28 0.00 0.70 0.00 0.00 55.95 59.84 2big s SER 295 Cb -0.51 -2.61 1.01 0.00 -1.71 0.00 0.00 66.02 62.20 2big s SER 295 CO 0.41 -0.34 1.73 0.18 1.20 0.00 0.00 173.24 176.42 2big n LEU 296 N 0.63 0.60 -0.07 3.45 4.77 -1.26 -4.41 117.00 120.71 2big n LEU 296 Ca 0.02 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 2big n LEU 296 Cb 0.46 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2big n LEU 296 CO 0.51 0.11 -0.93 0.23 -1.33 0.00 0.00 177.39 175.99 2big n MET 297 N -0.97 0.47 -3.79 3.23 2.81 -1.26 -4.71 117.12 112.90 2big n MET 297 Ca 0.12 0.07 -0.26 0.00 -1.81 0.00 0.00 57.70 55.82 2big n MET 297 Cb 0.31 -1.27 -0.17 0.00 -0.71 0.00 0.00 33.22 31.38 2big n MET 297 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2big s ASN 298 N -5.22 2.41 -0.35 7.83 -0.87 -1.26 -0.22 114.94 117.26 2big s ASN 298 Ca -0.17 -0.51 -0.12 0.00 -1.57 0.00 0.00 52.86 50.49 2big s ASN 298 Cb 0.05 -0.62 0.00 0.00 -0.02 0.00 0.00 41.25 40.65 2big s ASN 298 CO 0.32 -0.23 0.22 -0.69 -2.57 0.00 0.00 177.10 174.14 2big s VAL 299 N 1.84 4.92 -0.13 1.60 1.01 0.02 -4.27 120.40 125.39 2big s VAL 299 Ca 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2big s VAL 299 Cb -0.15 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2big s VAL 299 CO -0.07 -0.08 0.01 0.42 0.00 0.00 0.00 175.10 175.38 2big s THR 300 N 1.65 4.31 0.23 3.92 -4.23 -1.26 -0.57 115.64 119.68 2big s THR 300 Ca 0.05 -0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 60.11 2big s THR 300 Cb -0.18 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.83 2big s THR 300 CO 0.08 0.53 0.67 0.72 -0.54 0.00 0.00 174.62 176.08 2big s PHE 301 N -0.15 -0.33 0.07 3.99 -0.12 -0.66 -1.49 117.98 119.29 2big s PHE 301 Ca 0.05 -0.03 -0.01 0.00 -0.05 0.00 0.00 56.93 56.89 2big s PHE 301 Cb -0.13 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 2big s PHE 301 CO 0.02 -1.08 0.00 0.54 -0.05 0.00 0.00 175.22 174.65 2big s ASN 302 N -2.85 0.43 0.76 1.98 2.20 -0.36 -0.34 114.94 116.76 2big s ASN 302 Ca 0.07 -1.04 -0.02 0.00 -0.94 0.00 0.00 52.86 50.92 2big s ASN 302 Cb -0.04 0.23 0.15 0.00 -2.00 0.00 0.00 41.25 39.59 2big s ASN 302 CO -0.01 -0.64 1.02 0.18 -2.94 0.00 0.00 177.10 174.71 2big n LEU 303 N 0.05 0.00 0.23 3.54 4.32 -1.26 -0.91 117.00 122.97 2big n LEU 303 Ca -0.12 -2.00 0.15 0.00 -0.02 0.00 0.00 56.01 54.02 2big n LEU 303 Cb 0.62 -0.68 0.47 0.00 -1.62 0.00 0.00 43.42 42.21 2big n LEU 303 CO 0.29 -1.03 0.91 0.03 -1.22 0.00 0.00 177.39 176.36 2big h ARG 304 N 0.00 0.00 -3.81 3.23 3.08 -1.86 -3.45 114.38 111.56 2big h ARG 304 Ca -0.34 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.62 2big h ARG 304 Cb 1.20 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.14 2big h ARG 304 CO 0.34 0.00 -0.23 0.54 -1.07 0.00 0.00 179.97 179.55 2big s ASN 305 N -5.64 -0.04 0.27 7.04 2.20 -1.26 -5.06 114.94 112.45 2big s ASN 305 Ca 0.04 -0.94 0.07 0.00 -0.94 0.00 0.00 52.86 51.10 2big s ASN 305 Cb 0.08 0.52 0.35 0.00 -2.00 0.00 0.00 41.25 40.20 2big s ASN 305 CO 0.58 -1.03 1.62 -0.08 -2.94 0.00 0.00 177.10 175.25 2big h GLU 306 N 2.38 0.14 -0.42 3.55 4.57 -1.99 -1.20 114.58 121.61 2big h GLU 306 Ca -0.29 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2big h GLU 306 Cb 1.24 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 2big h GLU 306 CO 0.41 0.67 0.26 1.49 -1.18 0.00 0.00 179.01 180.66 2big h GLU 307 N 0.11 0.51 -0.50 1.92 4.81 -1.98 -0.18 114.58 119.27 2big h GLU 307 Ca -0.00 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 2big h GLU 307 Cb 1.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 2big h GLU 307 CO 0.08 0.34 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.46 2big h LEU 308 N 0.53 1.00 -0.40 1.64 3.38 -1.90 -0.53 115.31 119.02 2big h LEU 308 Ca 0.16 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.86 2big h LEU 308 Cb -0.02 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 2big h LEU 308 CO -0.06 1.14 -0.05 0.78 0.09 0.00 0.00 178.44 180.34 2big h ASN 309 N 0.86 -0.26 -0.58 -0.43 2.35 -0.86 0.34 115.58 116.99 2big h ASN 309 Ca 0.12 0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.88 2big h ASN 309 Cb 0.74 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 2big h ASN 309 CO 0.06 -0.09 -0.03 1.56 -1.65 0.00 0.00 177.43 177.28 2big h GLN 310 N 0.05 1.04 -0.49 0.81 1.08 -0.81 -0.95 115.11 115.84 2big h GLN 310 Ca 0.20 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2big h GLN 310 Cb 0.29 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2big h GLN 310 CO -0.37 1.04 0.32 1.96 -0.95 0.00 0.00 178.83 180.82 2big h GLN 311 N 0.93 0.66 -0.33 1.46 4.20 -0.73 -0.77 115.11 120.52 2big h GLN 311 Ca 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2big h GLN 311 Cb 0.59 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2big h GLN 311 CO 0.04 0.45 0.17 0.35 -0.67 0.00 0.00 178.83 179.16 2big h PHE 312 N 0.67 0.48 -0.27 2.96 3.57 -0.70 -1.37 116.94 122.28 2big h PHE 312 Ca 0.18 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 2big h PHE 312 Cb -0.06 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2big h PHE 312 CO -0.04 0.41 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.22 2big h LEU 313 N 0.41 0.45 -0.39 0.59 3.38 -0.95 -0.05 115.31 118.75 2big h LEU 313 Ca 0.12 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2big h LEU 313 Cb 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2big h LEU 313 CO -0.02 0.64 0.08 0.00 0.09 0.00 0.00 178.44 179.23 2big h ALA 314 N 1.40 0.52 -0.62 1.53 0.00 -0.95 -1.05 119.26 120.09 2big h ALA 314 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2big h ALA 314 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2big h ALA 314 CO 0.03 0.22 0.24 -0.22 0.00 0.00 0.00 179.25 179.52 2big h LYS 315 N 0.50 0.93 -0.49 0.00 1.63 -0.86 -0.62 116.57 117.65 2big h LYS 315 Ca 0.12 -0.17 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 2big h LYS 315 Cb 0.35 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 2big h LYS 315 CO 0.01 0.79 0.30 0.00 -3.45 0.00 0.00 179.45 177.10 2big h ALA 316 N 1.09 0.63 -0.69 5.00 0.00 -0.82 -1.33 119.26 123.13 2big h ALA 316 Ca 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2big h ALA 316 Cb 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2big h ALA 316 CO -0.02 0.02 0.25 -0.22 0.00 0.00 0.00 179.25 179.28 2big h LYS 317 N 0.61 1.05 -0.36 0.00 3.64 -0.88 -1.19 116.57 119.45 2big h LYS 317 Ca 0.19 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2big h LYS 317 Cb -0.01 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2big h LYS 317 CO -0.07 0.89 0.24 1.49 -2.27 0.00 0.00 179.45 179.72 2big h GLU 318 N 0.99 0.45 -0.35 1.90 4.81 -0.55 -2.47 114.58 119.38 2big h GLU 318 Ca 0.23 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2big h GLU 318 Cb 0.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2big h GLU 318 CO -0.01 0.30 0.00 1.04 -0.73 0.00 0.00 179.01 179.61 2big n GLN 319 N -4.48 1.91 -0.01 1.92 1.13 -0.56 -4.91 117.38 112.39 2big n GLN 319 Ca 0.02 -1.41 0.00 0.00 -1.94 0.00 0.00 57.00 53.68 2big n GLN 319 Cb 0.07 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2big n GLN 319 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2big n GLY 320 N 1.16 0.76 3.72 1.08 0.00 -0.93 -4.81 105.19 106.17 2big n GLY 320 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2big n GLY 320 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2big s PHE 321 N -2.01 3.75 -0.09 1.61 0.40 -0.52 -1.09 117.98 120.04 2big s PHE 321 Ca 0.00 1.72 0.04 0.00 -0.60 0.00 0.00 56.93 58.10 2big s PHE 321 Cb 0.00 -3.05 -0.01 0.00 0.51 0.00 0.00 43.02 40.47 2big s PHE 321 CO 0.00 0.14 -0.22 0.08 0.70 0.00 0.00 175.22 175.91 2big s VAL 322 N 0.35 2.24 0.00 -0.44 1.01 -0.11 -4.09 120.40 119.37 2big s VAL 322 Ca 0.48 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2big s VAL 322 Cb -0.22 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2big s VAL 322 CO 0.28 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.55 2big n GLY 323 N 3.24 0.67 0.08 4.51 0.00 -1.26 -0.70 105.19 111.73 2big n GLY 323 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 2big n GLY 323 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2big n LEU 324 N 0.00 0.51 -4.74 0.99 4.77 -1.26 -4.62 117.00 112.65 2big n LEU 324 Ca 0.00 0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 56.14 2big n LEU 324 Cb 0.00 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 2big n LEU 324 CO 0.00 -0.27 1.25 0.20 -1.33 0.00 0.00 177.39 177.24 2big s ASN 325 N -3.95 6.44 0.97 -1.43 0.01 -1.26 -0.47 114.94 115.24 2big s ASN 325 Ca 0.09 2.85 -0.11 0.00 -0.71 0.00 0.00 52.86 54.98 2big s ASN 325 Cb 0.12 -2.62 0.17 0.00 0.41 0.00 0.00 41.25 39.33 2big s ASN 325 CO 0.48 -0.88 1.10 -0.83 -1.51 0.00 0.00 177.10 175.46 2big s GLY 326 N 0.67 1.64 0.46 0.66 0.00 0.14 -4.38 107.32 106.53 2big s GLY 326 Ca 0.66 0.31 -0.24 0.00 0.00 0.00 0.00 44.72 45.45 2big s GLY 326 CO 0.42 0.81 1.24 1.57 0.00 0.00 0.00 173.10 177.14 2big n HIS 327 N -4.32 1.98 -0.08 1.90 -0.00 -1.26 -4.58 115.22 108.86 2big n HIS 327 Ca 0.09 0.48 0.20 0.00 0.46 0.00 0.00 57.72 58.95 2big n HIS 327 Cb 0.53 -2.34 0.64 0.00 -0.12 0.00 0.00 29.99 28.70 2big n HIS 327 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2big h ARG 328 N 1.77 0.12 0.00 1.57 -0.00 -1.91 0.26 114.38 116.19 2big h ARG 328 Ca -0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 2big h ARG 328 Cb 1.31 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 2big h ARG 328 CO 0.58 0.08 0.00 0.66 -0.00 0.00 0.00 179.97 181.29 2big h SER 329 N 0.13 0.00 0.00 0.08 4.64 -2.01 -3.32 113.55 113.07 2big h SER 329 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2big h SER 329 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2big h SER 329 CO -0.04 0.00 -0.56 1.33 -0.87 0.00 0.00 176.83 176.69 2big n VAL 330 N -2.98 0.00 -4.36 0.95 0.24 -0.14 -5.14 118.33 106.91 2big n VAL 330 Ca 0.02 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2big n VAL 330 Cb 0.34 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 2big n VAL 330 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2big n GLY 331 N 1.55 -0.87 7.00 7.63 0.00 0.72 -4.98 105.19 116.23 2big n GLY 331 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2big n GLY 331 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2big n GLY 332 N 0.00 2.20 3.29 -0.02 0.00 -1.26 -4.14 105.19 105.27 2big n GLY 332 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 2big n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2big s ARG 334 N -2.01 0.10 -0.45 0.00 3.52 0.38 -1.66 118.95 118.83 2big s ARG 334 Ca 0.08 0.46 -0.17 0.00 -0.13 0.00 0.00 55.73 55.97 2big s ARG 334 Cb -0.09 -0.58 0.04 0.00 -1.56 0.00 0.00 34.95 32.75 2big s ARG 334 CO 0.05 -0.42 0.45 0.00 -0.81 0.00 0.00 175.30 174.56 2big s ALA 335 N 2.32 3.46 -0.20 6.12 0.00 0.26 -4.21 121.76 129.51 2big s ALA 335 Ca 0.04 -1.75 -0.22 0.00 0.00 0.00 0.00 51.96 50.04 2big s ALA 335 Cb -0.13 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 2big s ALA 335 CO -0.08 -1.71 0.66 -1.12 0.00 0.00 0.00 175.76 173.52 2big s SER 336 N 2.20 6.73 -0.37 0.00 0.01 -1.24 -0.80 113.70 120.23 2big s SER 336 Ca 0.10 0.89 0.11 0.00 1.31 0.00 0.00 55.95 58.35 2big s SER 336 Cb -0.20 -2.37 0.44 0.00 0.21 0.00 0.00 66.02 64.11 2big s SER 336 CO 0.11 -0.30 1.06 2.30 0.41 0.00 0.00 173.24 176.82 2big n ILE 337 N 4.72 1.82 -0.51 1.44 -5.35 0.70 -4.58 119.36 117.60 2big n ILE 337 Ca -0.00 -4.07 -0.29 0.00 -0.27 0.00 0.00 62.75 58.11 2big n ILE 337 Cb 0.49 -0.40 0.24 0.00 -1.74 0.00 0.00 39.64 38.23 2big n ILE 337 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2big n TYR 338 N -0.36 -1.63 -0.32 4.28 0.53 -1.25 -4.74 117.16 113.67 2big n TYR 338 Ca 0.27 -0.13 0.13 0.00 -1.02 0.00 0.00 57.90 57.14 2big n TYR 338 Cb 0.75 -1.60 0.27 0.00 -1.03 0.00 0.00 39.34 37.73 2big n TYR 338 CO 0.00 0.00 0.00 -0.91 -1.02 0.00 0.00 176.86 174.93 2big h ASN 339 N -2.61 -0.40 0.17 7.72 2.35 -1.86 -0.51 115.58 120.44 2big h ASN 339 Ca -0.58 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2big h ASN 339 Cb 1.33 0.43 0.00 0.00 0.05 0.00 0.00 38.32 40.13 2big h ASN 339 CO 0.43 -0.30 -0.11 0.00 -1.65 0.00 0.00 177.43 175.81 2big n ALA 340 N -3.05 2.79 -2.17 -0.83 0.00 -1.26 -4.74 120.51 111.25 2big n ALA 340 Ca 0.21 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 2big n ALA 340 Cb 0.70 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 2big n ALA 340 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2big s VAL 341 N -2.29 3.76 0.57 0.00 1.01 -0.20 -4.71 120.40 118.54 2big s VAL 341 Ca 0.32 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 2big s VAL 341 Cb 0.20 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 2big s VAL 341 CO 0.44 -0.06 1.02 -2.16 0.00 0.00 0.00 175.10 174.33 2big s PRO 342 N 3.34 3.66 0.35 2.72 0.04 -1.26 -4.89 135.00 138.97 2big s PRO 342 Ca 0.66 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.67 2big s PRO 342 Cb -0.30 -2.09 0.68 0.00 0.04 0.00 0.00 34.50 32.83 2big s PRO 342 CO 0.25 -0.52 1.99 0.97 0.04 0.00 0.00 177.00 179.73 2big h ILE 343 N 0.34 1.10 0.00 0.56 2.10 -1.93 -1.69 117.51 117.98 2big h ILE 343 Ca -0.46 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.19 2big h ILE 343 Cb 1.19 0.21 -0.00 0.00 -1.09 0.00 0.00 36.82 37.13 2big h ILE 343 CO 0.61 0.15 -0.06 0.44 -1.08 0.00 0.00 178.15 178.21 2big h ASP 344 N 0.82 0.00 -0.21 2.19 3.32 -1.99 -0.59 116.42 119.95 2big h ASP 344 Ca 0.27 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 2big h ASP 344 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2big h ASP 344 CO -0.08 0.06 -0.42 0.00 -1.72 0.00 0.00 179.24 177.08 2big h ALA 345 N 1.94 0.68 -0.55 3.45 0.00 -1.69 -1.14 119.26 121.95 2big h ALA 345 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2big h ALA 345 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2big h ALA 345 CO 0.01 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 2big h ILE 347 N 0.89 1.04 -0.67 0.00 2.04 -1.07 -0.46 117.51 119.29 2big h ILE 347 Ca 0.15 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2big h ILE 347 Cb 0.61 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2big h ILE 347 CO 0.04 0.12 0.33 0.00 0.00 0.00 0.00 178.15 178.64 2big h ALA 348 N 1.26 0.87 -0.48 1.87 0.00 -0.88 -0.41 119.26 121.48 2big h ALA 348 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2big h ALA 348 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2big h ALA 348 CO -0.11 0.42 0.27 1.25 0.00 0.00 0.00 179.25 181.08 2big h LEU 349 N 0.93 0.59 -0.42 0.00 5.85 -0.80 -1.04 115.31 120.42 2big h LEU 349 Ca 0.23 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.94 2big h LEU 349 Cb 0.10 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2big h LEU 349 CO -0.03 0.50 0.06 -0.09 -0.34 0.00 0.00 178.44 178.54 2big h ARG 350 N 0.64 0.18 -0.34 1.25 2.43 -0.59 -0.27 114.38 117.68 2big h ARG 350 Ca 0.17 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2big h ARG 350 Cb 0.03 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2big h ARG 350 CO -0.03 0.12 -0.08 0.93 -1.51 0.00 0.00 179.97 179.40 2big h GLU 351 N 0.18 0.56 -0.34 0.20 4.39 -0.59 0.14 114.58 119.12 2big h GLU 351 Ca 0.21 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 2big h GLU 351 Cb 0.27 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2big h GLU 351 CO -0.29 0.64 0.15 1.25 -1.16 0.00 0.00 179.01 179.60 2big h LEU 352 N 0.52 0.46 -0.81 1.33 5.85 -0.78 -1.16 115.31 120.71 2big h LEU 352 Ca 0.10 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2big h LEU 352 Cb 0.46 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2big h LEU 352 CO 0.02 0.48 0.44 0.24 -0.34 0.00 0.00 178.44 179.29 2big h MET 353 N 0.41 1.14 -0.28 1.25 2.86 -0.32 0.91 114.93 120.89 2big h MET 353 Ca 0.11 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 2big h MET 353 Cb 0.16 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2big h MET 353 CO -0.01 0.84 -0.12 0.82 1.06 0.00 0.00 176.91 179.51 2big h ILE 354 N 1.13 1.29 -0.86 -1.22 2.04 -0.63 -1.98 117.51 117.29 2big h ILE 354 Ca 0.29 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 2big h ILE 354 Cb 0.04 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2big h ILE 354 CO -0.04 0.38 0.42 -0.61 0.00 0.00 0.00 178.15 178.29 2big h GLN 355 N 0.33 1.24 -0.48 2.37 4.15 -0.95 -0.91 115.11 120.84 2big h GLN 355 Ca 0.07 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 2big h GLN 355 Cb 0.62 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 2big h GLN 355 CO 0.04 0.94 0.20 0.35 -1.93 0.00 0.00 178.83 178.43 2big h PHE 356 N 1.23 0.72 -0.60 3.99 3.57 -0.75 -0.79 116.94 124.31 2big h PHE 356 Ca 0.30 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 2big h PHE 356 Cb 0.11 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2big h PHE 356 CO 0.01 0.60 0.10 -0.22 -2.23 0.00 0.00 178.31 176.58 2big h LYS 357 N 0.64 0.99 0.00 1.11 3.64 -1.15 -2.08 116.57 119.72 2big h LYS 357 Ca 0.16 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2big h LYS 357 Cb 0.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2big h LYS 357 CO -0.02 0.93 -0.20 0.93 -2.27 0.00 0.00 179.45 178.82 2big h GLU 358 N 0.89 0.00 -0.02 1.90 5.08 -0.66 -2.18 114.58 119.60 2big h GLU 358 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2big h GLU 358 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2big h GLU 358 CO 0.01 0.20 -0.03 0.09 -1.00 0.00 0.00 179.01 178.28 2big n ASN 359 N -4.24 2.16 0.00 1.42 3.02 -0.35 -5.09 115.26 112.17 2big n ASN 359 Ca -0.02 -1.70 0.12 0.00 -0.03 0.00 0.00 54.58 52.95 2big n ASN 359 Cb 0.26 0.02 0.71 0.00 -0.61 0.00 0.00 39.78 40.16 2big n ASN 359 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64