#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 0.82 -0.23 1.69 1.01 -1.26 -4.29 120.40 118.14 2big s VAL 4 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2big s VAL 4 Cb 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.63 2big s VAL 4 CO 0.00 0.29 -0.14 -0.36 0.00 0.00 0.00 175.10 174.89 2big s PHE 5 N 0.89 3.09 -0.64 5.22 0.40 -0.38 -5.00 117.98 121.56 2big s PHE 5 Ca -0.11 -2.08 -0.17 0.00 -0.60 0.00 0.00 56.93 53.97 2big s PHE 5 Cb -0.15 -1.93 0.14 0.00 0.51 0.00 0.00 43.02 41.59 2big s PHE 5 CO 0.01 -0.85 0.66 1.21 0.70 0.00 0.00 175.22 176.94 2big s ASN 6 N 1.17 6.33 -0.32 1.36 3.84 -1.26 -0.98 114.94 125.07 2big s ASN 6 Ca -0.04 -1.88 0.10 0.00 0.21 0.00 0.00 52.86 51.25 2big s ASN 6 Cb -0.17 -2.25 0.70 0.00 -0.55 0.00 0.00 41.25 38.97 2big s ASN 6 CO -0.08 -0.90 1.76 0.49 -2.79 0.00 0.00 177.10 175.58 2big n PHE 7 N 5.41 2.26 -1.73 0.43 3.01 0.06 -4.60 117.46 122.31 2big n PHE 7 Ca -0.05 -1.30 -0.39 0.00 1.01 0.00 0.00 57.45 56.72 2big n PHE 7 Cb 0.43 -0.67 0.03 0.00 -0.01 0.00 0.00 39.48 39.26 2big n PHE 7 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2big n ASN 8 N -0.42 2.72 -0.10 4.37 3.02 -1.19 -3.48 115.26 120.18 2big n ASN 8 Ca 0.41 1.03 0.12 0.00 -0.03 0.00 0.00 54.58 56.12 2big n ASN 8 Cb 1.35 -1.56 0.27 0.00 -0.61 0.00 0.00 39.78 39.23 2big n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2big n ALA 9 N -0.67 3.45 0.00 5.41 0.00 -1.26 -4.58 120.51 122.85 2big n ALA 9 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2big n ALA 9 Cb 0.43 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 2.76 3.31 0.00 0.00 -1.26 -4.87 105.19 106.57 2big n GLY 10 Ca 0.08 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.44 -4.05 1.61 -0.02 -1.26 -5.06 135.00 124.78 2big n PRO 11 Ca 0.00 -0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 60.93 2big n PRO 11 Cb 0.00 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2big n PRO 11 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2big n SER 12 N -1.83 -1.36 -4.71 2.55 3.41 -1.20 -4.76 113.62 105.71 2big n SER 12 Ca 0.02 -2.96 -0.42 0.00 -0.26 0.00 0.00 58.87 55.24 2big n SER 12 Cb 0.60 2.56 -0.01 0.00 -0.26 0.00 0.00 64.21 67.10 2big n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2big n ALA 13 N -0.64 1.49 -2.78 7.33 0.00 -1.26 -5.02 120.51 119.63 2big n ALA 13 Ca -0.14 0.36 -0.24 0.00 0.00 0.00 0.00 53.44 53.43 2big n ALA 13 Cb 0.60 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 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 -1.03 3.68 0.05 0.00 1.43 -1.26 -4.61 118.68 116.94 2big s LEU 14 Ca 0.57 -0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 53.08 2big s LEU 14 Cb -0.56 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.35 2big s LEU 14 CO 0.61 0.01 1.32 -2.16 0.23 0.00 0.00 176.35 176.36 2big s PRO 15 N -3.53 4.34 0.28 1.29 0.04 -1.26 -4.90 135.00 131.26 2big s PRO 15 Ca 0.32 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.30 2big s PRO 15 Cb -0.08 -3.39 0.62 0.00 0.04 0.00 0.00 34.50 31.68 2big s PRO 15 CO 0.23 -0.43 1.76 0.87 0.04 0.00 0.00 177.00 179.48 2big h LYS 16 N 7.15 0.63 0.00 4.56 1.79 -1.98 -1.00 116.57 127.72 2big h LYS 16 Ca -0.40 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 2big h LYS 16 Cb 1.20 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2big h LYS 16 CO 0.86 0.42 -0.03 -1.35 -1.08 0.00 0.00 179.45 178.27 2big h PRO 17 N 0.65 0.00 -0.53 3.15 0.11 -1.99 0.89 132.00 134.29 2big h PRO 17 Ca 0.51 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.51 2big h PRO 17 Cb 0.77 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2big h PRO 17 CO -0.38 0.03 -0.11 0.00 -0.21 0.00 0.00 178.00 177.33 2big h ALA 18 N 1.97 0.79 -0.14 -0.75 0.00 -1.47 -1.04 119.26 118.62 2big h ALA 18 Ca -0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.33 2big h ALA 18 Cb 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2big h ALA 18 CO 0.00 0.67 -0.81 -0.07 0.00 0.00 0.00 179.25 179.04 2big h LEU 19 N 0.90 0.95 -0.74 0.00 3.38 -1.21 -1.98 115.31 116.61 2big h LEU 19 Ca 0.14 -0.64 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 2big h LEU 19 Cb 0.68 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2big h LEU 19 CO 0.05 1.44 0.14 -0.33 0.09 0.00 0.00 178.44 179.83 2big h GLU 20 N 0.53 1.11 -0.21 1.13 5.08 -0.76 0.32 114.58 121.77 2big h GLU 20 Ca -0.06 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2big h GLU 20 Cb 1.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2big h GLU 20 CO 0.17 0.99 0.13 -0.09 -1.00 0.00 0.00 179.01 179.20 2big h ARG 21 N 1.04 0.29 -0.75 2.33 2.43 -1.21 -1.45 114.38 117.06 2big h ARG 21 Ca 0.21 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2big h ARG 21 Cb 0.40 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2big h ARG 21 CO 0.01 0.23 0.47 0.00 -1.51 0.00 0.00 179.97 179.16 2big h ALA 22 N 1.04 0.95 -0.19 2.80 0.00 -1.02 -2.59 119.26 120.25 2big h ALA 22 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2big h ALA 22 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2big h ALA 22 CO -0.01 0.41 0.10 0.37 0.00 0.00 0.00 179.25 180.12 2big h GLN 23 N 1.02 0.26 -0.90 0.00 4.15 -0.69 -1.22 115.11 117.74 2big h GLN 23 Ca 0.27 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2big h GLN 23 Cb -0.06 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.53 2big h GLN 23 CO -0.05 0.25 0.57 -0.22 -1.93 0.00 0.00 178.83 177.44 2big h LYS 24 N 0.20 1.20 -0.48 1.69 3.64 -1.01 -2.86 116.57 118.95 2big h LYS 24 Ca 0.07 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2big h LYS 24 Cb 0.06 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2big h LYS 24 CO -0.01 0.81 0.00 -0.85 -2.27 0.00 0.00 179.45 177.13 2big n GLU 25 N -4.38 3.64 0.18 1.90 0.28 -1.00 -4.66 120.64 116.59 2big n GLU 25 Ca 0.10 -2.83 0.06 0.00 -0.16 0.00 0.00 57.16 54.33 2big n GLU 25 Cb 0.04 -1.88 0.53 0.00 1.43 0.00 0.00 31.44 31.57 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 3.12 0.13 0.00 -1.84 5.85 -0.97 -2.83 115.31 118.77 2big h LEU 26 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2big h LEU 26 Cb 1.47 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.46 2big h LEU 26 CO 0.25 0.16 -1.93 0.18 -0.34 0.00 0.00 178.44 176.77 2big n LEU 27 N -4.45 0.06 -3.43 2.25 4.77 -1.26 -4.04 117.00 110.90 2big n LEU 27 Ca -0.01 0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2big n LEU 27 Cb 0.14 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 2big n LEU 27 CO 0.35 -0.01 -0.27 0.21 -1.33 0.00 0.00 177.39 176.34 2big s ASN 28 N -4.57 2.42 -0.15 -1.43 2.47 -1.07 -3.06 114.94 109.54 2big s ASN 28 Ca -0.07 -1.97 -0.18 0.00 0.42 0.00 0.00 52.86 51.06 2big s ASN 28 Cb 0.14 -0.10 -0.04 0.00 -1.45 0.00 0.00 41.25 39.80 2big s ASN 28 CO 0.90 -0.30 0.49 0.12 -3.72 0.00 0.00 177.10 174.59 2big s PHE 29 N 1.22 3.46 -1.53 0.43 5.36 0.39 -4.39 117.98 122.91 2big s PHE 29 Ca 0.17 0.83 -0.14 0.00 -0.96 0.00 0.00 56.93 56.84 2big s PHE 29 Cb -0.20 -2.59 0.08 0.00 -0.34 0.00 0.00 43.02 39.97 2big s PHE 29 CO -0.01 0.06 1.00 -1.71 -1.46 0.00 0.00 175.22 173.10 2big n ASN 30 N 4.11 -4.90 -1.21 6.13 4.05 -1.26 -1.51 115.26 120.68 2big n ASN 30 Ca -0.06 -0.77 -0.16 0.00 0.45 0.00 0.00 54.58 54.04 2big n ASN 30 Cb 0.51 -3.91 -0.07 0.00 1.23 0.00 0.00 39.78 37.54 2big n ASN 30 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2big n ASP 31 N -2.84 -5.25 0.09 1.20 8.00 -1.26 -4.86 116.55 111.63 2big n ASP 31 Ca 0.04 0.39 0.12 0.00 0.71 0.00 0.00 54.79 56.06 2big n ASP 31 Cb 0.52 -4.13 0.24 0.00 -0.02 0.00 0.00 41.12 37.73 2big n ASP 31 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2big h THR 32 N 0.00 0.00 -0.53 -3.53 1.35 -1.58 -3.47 112.91 105.16 2big h THR 32 Ca -0.32 -0.55 -0.23 0.00 -0.55 0.00 0.00 66.41 64.76 2big h THR 32 Cb 1.14 1.29 -0.09 0.00 -1.73 0.00 0.00 68.15 68.77 2big h THR 32 CO 0.47 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 175.54 2big n GLN 33 N -2.26 -0.95 -4.26 4.72 1.13 -1.26 -4.97 117.38 109.53 2big n GLN 33 Ca 0.04 0.86 -0.20 0.00 -1.94 0.00 0.00 57.00 55.76 2big n GLN 33 Cb 0.45 -4.89 -0.12 0.00 0.11 0.00 0.00 30.24 25.79 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 -2.82 1.07 0.67 -1.09 -1.94 -1.22 -4.76 119.30 109.21 2big s MET 34 Ca 0.00 -1.20 -0.16 0.00 -1.71 0.00 0.00 55.69 52.62 2big s MET 34 Cb 0.00 -1.11 0.01 0.00 2.01 0.00 0.00 34.83 35.74 2big s MET 34 CO 0.00 0.23 1.16 0.45 -0.01 0.00 0.00 175.02 176.85 2big s SER 35 N -2.23 4.80 0.53 3.03 0.15 -1.17 -0.46 113.70 118.34 2big s SER 35 Ca 0.08 2.19 0.22 0.00 0.70 0.00 0.00 55.95 59.13 2big s SER 35 Cb -0.07 -2.57 1.36 0.00 -1.71 0.00 0.00 66.02 63.03 2big s SER 35 CO 0.04 -1.85 2.06 1.62 1.20 0.00 0.00 173.24 176.31 2big h VAL 36 N 0.06 0.82 0.00 4.45 3.04 -1.84 -0.30 116.25 122.49 2big h VAL 36 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2big h VAL 36 Cb 1.27 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2big h VAL 36 CO 0.53 0.00 0.00 0.24 -1.01 0.00 0.00 177.57 177.33 2big h MET 37 N 0.00 0.00 -0.05 4.17 2.86 -1.91 -3.06 114.93 116.94 2big h MET 37 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2big h MET 37 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2big h MET 37 CO -0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 2big n GLU 38 N -2.37 1.26 -3.27 1.72 1.02 -0.13 -5.01 120.64 113.86 2big n GLU 38 Ca 0.01 -1.48 -0.31 0.00 -0.02 0.00 0.00 57.16 55.37 2big n GLU 38 Cb 0.22 -1.30 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.29 4.07 0.41 -4.62 1.43 -1.16 -4.93 118.68 112.60 2big s LEU 39 Ca 0.19 0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 53.99 2big s LEU 39 Cb 0.13 -3.76 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 2big s LEU 39 CO 0.20 -0.17 1.32 -0.55 0.23 0.00 0.00 176.35 177.38 2big s SER 40 N -2.66 6.23 0.00 2.29 0.15 -1.26 -4.91 113.70 113.55 2big s SER 40 Ca 0.48 2.70 0.13 0.00 0.70 0.00 0.00 55.95 59.96 2big s SER 40 Cb -0.11 -2.64 0.61 0.00 -1.71 0.00 0.00 66.02 62.17 2big s SER 40 CO 0.24 -0.91 1.35 0.00 1.20 0.00 0.00 173.24 175.12 2big n HIS 41 N 0.07 0.00 0.22 3.44 1.44 -1.26 -1.77 115.22 117.35 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 -0.35 0.21 0.00 0.12 0.00 0.00 29.99 30.40 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 -1.35 2.47 -2.22 -1.40 5.12 -1.26 -4.44 116.66 113.58 2big n ARG 42 Ca 0.05 -2.28 -0.33 0.00 -1.93 0.00 0.00 57.85 53.36 2big n ARG 42 Cb 0.12 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 29.92 2big n ARG 42 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2big s SER 43 N -1.39 5.97 0.30 0.55 1.04 -0.73 -4.89 113.70 114.55 2big s SER 43 Ca 0.38 1.87 -0.01 0.00 0.48 0.00 0.00 55.95 58.67 2big s SER 43 Cb 0.22 -2.54 0.48 0.00 0.10 0.00 0.00 66.02 64.27 2big s SER 43 CO 0.30 -1.04 1.94 -0.61 0.98 0.00 0.00 173.24 174.81 2big h GLN 44 N 0.84 1.05 -0.49 4.02 4.15 -1.94 -0.21 115.11 122.54 2big h GLN 44 Ca -0.48 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 58.80 2big h GLN 44 Cb 1.22 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 2big h GLN 44 CO 0.58 0.70 -0.02 0.77 -1.93 0.00 0.00 178.83 178.93 2big h SER 45 N 1.09 0.86 -0.15 -0.69 0.02 -1.92 -1.31 113.55 111.44 2big h SER 45 Ca 0.35 -0.32 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2big h SER 45 Cb 0.04 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 2big h SER 45 CO -0.11 0.97 -0.24 0.22 -1.14 0.00 0.00 176.83 176.53 2big h TYR 46 N 0.73 0.53 -0.70 3.45 3.20 -1.74 -3.01 116.97 119.42 2big h TYR 46 Ca 0.14 -0.18 0.09 0.00 3.14 0.00 0.00 58.73 61.92 2big h TYR 46 Cb 0.54 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 2big h TYR 46 CO 0.04 0.86 0.46 0.93 -1.64 0.00 0.00 178.16 178.82 2big h GLU 47 N 0.05 0.58 -0.57 1.82 5.08 -0.79 -0.23 114.58 120.52 2big h GLU 47 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2big h GLU 47 Cb 0.81 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2big h GLU 47 CO 0.05 0.39 0.24 0.93 -1.00 0.00 0.00 179.01 179.62 2big h GLU 48 N 0.60 0.84 -0.32 2.33 5.08 -1.20 -1.37 114.58 120.53 2big h GLU 48 Ca 0.32 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2big h GLU 48 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2big h GLU 48 CO -0.11 0.71 0.14 0.28 -1.00 0.00 0.00 179.01 179.04 2big h VAL 49 N 0.78 1.17 -0.28 3.13 2.07 -1.04 0.02 116.25 122.09 2big h VAL 49 Ca 0.19 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.23 2big h VAL 49 Cb 0.17 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2big h VAL 49 CO -0.02 0.18 0.15 -0.74 0.02 0.00 0.00 177.57 177.16 2big h HIS 50 N 0.38 0.29 -0.43 1.57 -0.00 -0.95 0.15 115.15 116.15 2big h HIS 50 Ca 0.11 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.41 2big h HIS 50 Cb 0.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 2big h HIS 50 CO -0.01 0.17 -0.03 1.49 -0.00 0.00 0.00 177.93 179.54 2big h GLU 51 N 0.32 0.78 -0.45 5.26 4.57 -1.22 -2.83 114.58 121.02 2big h GLU 51 Ca 0.11 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 57.96 2big h GLU 51 Cb 0.01 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2big h GLU 51 CO -0.06 0.87 -0.01 0.37 -1.18 0.00 0.00 179.01 179.00 2big h GLN 52 N 0.62 0.74 -0.83 1.92 4.15 -0.65 0.67 115.11 121.73 2big h GLN 52 Ca 0.12 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2big h GLN 52 Cb 0.53 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 2big h GLN 52 CO 0.03 0.76 0.48 0.00 -1.93 0.00 0.00 178.83 178.17 2big h ALA 53 N 1.30 1.06 -0.15 3.38 0.00 -0.89 0.12 119.26 124.08 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 0.44 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2big h ALA 53 CO 0.02 0.54 0.06 1.96 0.00 0.00 0.00 179.25 181.83 2big h GLN 54 N 1.15 0.22 -0.65 0.00 4.20 -1.20 -2.14 115.11 116.69 2big h GLN 54 Ca 0.30 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 2big h GLN 54 Cb -0.01 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2big h GLN 54 CO -0.05 0.31 0.17 -0.91 -0.67 0.00 0.00 178.83 177.68 2big h ASN 55 N 0.09 0.96 -0.37 1.46 2.35 -0.51 -0.64 115.58 118.92 2big h ASN 55 Ca 0.05 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 2big h ASN 55 Cb 0.17 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2big h ASN 55 CO -0.00 0.91 0.10 -0.07 -1.65 0.00 0.00 177.43 176.72 2big h LEU 56 N 0.97 0.55 -0.86 1.61 3.38 -0.72 -1.00 115.31 119.25 2big h LEU 56 Ca 0.21 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2big h LEU 56 Cb 0.32 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2big h LEU 56 CO -0.00 0.62 0.55 -0.07 0.09 0.00 0.00 178.44 179.63 2big h LEU 57 N 0.44 0.92 -0.34 1.67 3.38 -0.99 0.47 115.31 120.87 2big h LEU 57 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2big h LEU 57 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2big h LEU 57 CO -0.00 0.64 0.20 -0.09 0.09 0.00 0.00 178.44 179.28 2big h ARG 58 N 1.08 0.46 -0.21 1.13 2.43 -0.95 -0.83 114.38 117.50 2big h ARG 58 Ca 0.34 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2big h ARG 58 Cb -0.01 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2big h ARG 58 CO -0.11 0.36 -0.00 1.49 -1.51 0.00 0.00 179.97 180.19 2big h GLU 59 N 0.44 0.37 -0.17 0.20 4.81 -0.93 -0.31 114.58 118.99 2big h GLU 59 Ca 0.12 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 2big h GLU 59 Cb 0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2big h GLU 59 CO -0.02 0.57 -0.50 -0.07 -0.73 0.00 0.00 179.01 178.26 2big h LEU 60 N 0.13 0.49 -1.78 1.64 3.38 -0.71 -3.01 115.31 115.45 2big h LEU 60 Ca 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2big h LEU 60 Cb 0.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2big h LEU 60 CO 0.01 0.91 -0.07 0.18 0.09 0.00 0.00 178.44 179.56 2big n LEU 61 N -3.97 2.83 -3.56 1.67 4.77 -0.33 -4.46 117.00 113.94 2big n LEU 61 Ca -0.02 -0.96 -0.23 0.00 -0.03 0.00 0.00 56.01 54.77 2big n LEU 61 Cb 0.56 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.70 2big n LEU 61 CO 0.45 0.48 -0.04 0.00 -1.33 0.00 0.00 177.39 176.95 2big n GLN 62 N 1.13 -3.10 -2.46 3.23 6.02 -0.26 -4.65 117.38 117.28 2big n GLN 62 Ca 0.13 0.65 -0.43 0.00 -0.01 0.00 0.00 57.00 57.34 2big n GLN 62 Cb 0.57 -5.05 -0.02 0.00 1.02 0.00 0.00 30.24 26.76 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 -3.52 4.29 0.86 5.09 1.01 -0.40 -4.72 121.20 123.81 2big s ILE 63 Ca 0.27 1.59 -0.10 0.00 0.00 0.00 0.00 60.65 62.42 2big s ILE 63 Cb -0.07 -4.03 0.11 0.00 0.01 0.00 0.00 42.46 38.48 2big s ILE 63 CO 0.80 -0.05 1.12 -2.84 0.00 0.00 0.00 174.94 173.98 2big s PRO 64 N 2.66 1.50 0.20 2.79 0.02 -1.26 -4.91 135.00 136.00 2big s PRO 64 Ca 0.55 1.37 0.22 0.00 0.02 0.00 0.00 61.00 63.16 2big s PRO 64 Cb -0.23 -1.80 0.90 0.00 0.02 0.00 0.00 34.50 33.39 2big s PRO 64 CO 0.19 -2.24 1.66 0.09 -0.33 0.00 0.00 177.00 176.37 2big n ASN 65 N -3.95 0.53 -0.80 2.53 3.02 -1.26 -1.81 115.26 113.52 2big n ASN 65 Ca 0.11 0.63 0.07 0.00 -0.03 0.00 0.00 54.58 55.35 2big n ASN 65 Cb 0.53 -0.74 0.19 0.00 -0.61 0.00 0.00 39.78 39.14 2big n ASN 65 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2big n ASP 66 N -2.08 2.31 -4.61 6.41 5.75 -1.26 -4.85 116.55 118.23 2big n ASP 66 Ca 0.02 -2.01 -0.31 0.00 -0.01 0.00 0.00 54.79 52.49 2big n ASP 66 Cb 0.22 -0.29 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 2big n ASP 66 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2big s TYR 67 N -1.44 2.84 0.14 2.11 1.51 -0.75 -1.40 117.35 120.37 2big s TYR 67 Ca 0.29 -0.09 0.10 0.00 -1.01 0.00 0.00 57.07 56.35 2big s TYR 67 Cb 0.15 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 2big s TYR 67 CO 0.19 0.42 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.73 2big s GLN 68 N -1.94 1.76 -0.27 -0.62 0.74 0.18 -4.89 119.66 114.61 2big s GLN 68 Ca 0.21 -1.27 -0.08 0.00 0.05 0.00 0.00 55.36 54.27 2big s GLN 68 Cb -0.11 -2.06 -0.02 0.00 1.10 0.00 0.00 33.01 31.92 2big s GLN 68 CO 0.12 0.45 0.09 0.42 -0.55 0.00 0.00 175.29 175.83 2big s ILE 69 N -1.33 4.34 -0.00 -2.34 1.01 -1.26 -1.14 121.20 120.46 2big s ILE 69 Ca 0.19 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 2big s ILE 69 Cb -0.10 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2big s ILE 69 CO 0.11 0.23 0.07 -0.76 0.00 0.00 0.00 174.94 174.59 2big s LEU 70 N 1.60 3.83 -0.31 2.97 1.43 0.11 -4.90 118.68 123.42 2big s LEU 70 Ca 0.05 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2big s LEU 70 Cb -0.16 -2.22 0.08 0.00 0.03 0.00 0.00 46.19 43.92 2big s LEU 70 CO 0.04 0.28 -0.01 -0.36 0.23 0.00 0.00 176.35 176.53 2big s PHE 71 N -1.17 3.46 0.23 0.29 2.99 -1.26 -1.28 117.98 121.24 2big s PHE 71 Ca 0.22 -2.48 0.10 0.00 0.00 0.00 0.00 56.93 54.78 2big s PHE 71 Cb -0.12 -2.40 -0.04 0.00 0.00 0.00 0.00 43.02 40.45 2big s PHE 71 CO 0.13 -0.90 -0.14 -0.51 -0.00 0.00 0.00 175.22 173.81 2big s LEU 72 N 1.07 2.80 0.51 -0.37 1.43 -0.28 -4.86 118.68 118.97 2big s LEU 72 Ca -0.00 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.29 2big s LEU 72 Cb -0.20 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 2big s LEU 72 CO -0.05 0.07 0.78 -1.10 0.23 0.00 0.00 176.35 176.28 2big s GLN 73 N -3.15 3.07 0.00 1.70 -0.21 -1.26 -0.28 119.66 119.53 2big s GLN 73 Ca 0.27 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.47 2big s GLN 73 Cb -0.07 -2.41 0.00 0.00 1.00 0.00 0.00 33.01 31.53 2big s GLN 73 CO 0.15 -0.44 0.00 0.41 -2.12 0.00 0.00 175.29 173.29 2big n GLY 74 N -2.32 1.19 0.00 3.09 0.00 -1.26 -4.88 105.19 101.01 2big n GLY 74 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.84 -1.58 0.28 -0.02 0.00 -1.26 -2.75 105.19 99.02 2big n GLY 75 Ca 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 2.09 -0.27 4.61 0.00 -1.94 -2.57 119.26 121.18 2big h ALA 76 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2big h ALA 76 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2big h ALA 76 CO 0.00 -0.12 0.03 0.77 0.00 0.00 0.00 179.25 179.93 2big h SER 77 N 0.02 0.35 0.17 0.00 0.02 -2.01 -0.55 113.55 111.55 2big h SER 77 Ca 0.05 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2big h SER 77 Cb 0.19 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2big h SER 77 CO -0.00 0.40 -0.37 0.25 -1.14 0.00 0.00 176.83 175.96 2big h LEU 78 N 0.38 0.29 -1.72 5.07 5.85 -1.27 -2.59 115.31 121.32 2big h LEU 78 Ca 0.09 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2big h LEU 78 Cb 0.21 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2big h LEU 78 CO 0.00 0.65 -0.16 1.56 -0.34 0.00 0.00 178.44 180.15 2big h GLN 79 N 0.24 0.00 -0.52 1.25 1.08 -1.10 0.17 115.11 116.23 2big h GLN 79 Ca 0.03 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2big h GLN 79 Cb 0.77 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.17 2big h GLN 79 CO 0.06 0.16 0.34 0.74 -0.95 0.00 0.00 178.83 179.18 2big h PHE 80 N 0.00 0.53 0.04 2.96 0.05 -1.00 -1.59 116.94 117.93 2big h PHE 80 Ca -0.00 0.01 -0.35 0.00 3.82 0.00 0.00 57.97 61.45 2big h PHE 80 Cb 0.30 -0.18 -0.05 0.00 2.00 0.00 0.00 35.95 38.03 2big h PHE 80 CO 0.00 0.30 -2.09 -2.37 -0.18 0.00 0.00 178.31 173.96 2big n THR 81 N -4.47 1.61 -0.13 -1.55 5.66 -0.86 -4.34 114.28 110.19 2big n THR 81 Ca 0.06 -0.71 -0.03 0.00 -3.05 0.00 0.00 64.05 60.32 2big n THR 81 Cb 0.18 -1.27 0.18 0.00 -1.55 0.00 0.00 70.33 67.87 2big n THR 81 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 2big h MET 82 N 0.03 0.84 0.86 1.09 2.86 -0.77 -0.66 114.93 119.17 2big h MET 82 Ca -0.44 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 56.98 2big h MET 82 Cb 2.04 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 33.58 2big h MET 82 CO 0.04 0.76 -0.41 1.25 1.06 0.00 0.00 176.91 179.60 2big h LEU 83 N 0.81 -0.98 -1.51 1.22 5.85 -1.50 -2.12 115.31 117.08 2big h LEU 83 Ca 0.18 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2big h LEU 83 Cb 0.31 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2big h LEU 83 CO -0.00 -0.68 -0.25 1.55 -0.34 0.00 0.00 178.44 178.73 2big h PRO 84 N -1.19 0.00 -0.45 5.25 0.13 -1.73 -0.93 132.00 133.08 2big h PRO 84 Ca -0.12 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2big h PRO 84 Cb 0.89 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 2big h PRO 84 CO 0.19 0.25 0.30 1.98 -0.23 0.00 0.00 178.00 180.49 2big h MET 85 N 0.00 0.57 0.04 0.86 4.05 -0.85 -0.49 114.93 119.12 2big h MET 85 Ca -0.00 -0.03 -0.33 0.00 -0.28 0.00 0.00 59.70 59.05 2big h MET 85 Cb 0.44 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 2big h MET 85 CO 0.03 0.38 -1.90 0.09 0.23 0.00 0.00 176.91 175.74 2big n ASN 86 N -4.47 1.28 -0.00 1.39 3.02 -0.80 -4.67 115.26 111.00 2big n ASN 86 Ca 0.04 0.28 0.04 0.00 -0.03 0.00 0.00 54.58 54.91 2big n ASN 86 Cb 0.08 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 38.92 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 -3.18 0.00 -4.49 3.41 4.77 -0.42 -4.85 117.00 112.24 2big n LEU 87 Ca -0.25 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.30 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 1.40 -0.22 -1.33 0.00 0.00 177.39 177.67 2big s LEU 88 N -3.58 4.63 0.56 2.23 2.96 -0.20 -4.84 118.68 120.44 2big s LEU 88 Ca -0.03 -2.43 -0.01 0.00 -0.22 0.00 0.00 54.13 51.44 2big s LEU 88 Cb 0.05 -2.46 0.03 0.00 0.50 0.00 0.00 46.19 44.31 2big s LEU 88 CO 0.34 -1.01 0.80 0.42 -1.32 0.00 0.00 176.35 175.58 2big s THR 89 N 2.82 3.03 0.27 3.68 -4.23 -1.26 -4.86 115.64 115.08 2big s THR 89 Ca 0.42 -0.48 -0.31 0.00 -1.18 0.00 0.00 61.69 60.14 2big s THR 89 Cb -0.02 -3.16 -0.12 0.00 1.34 0.00 0.00 72.50 70.54 2big s THR 89 CO -0.02 -0.13 1.55 1.17 -0.54 0.00 0.00 174.62 176.64 2big n LYS 90 N -2.40 2.49 0.00 3.99 4.81 -1.26 -1.41 118.16 124.38 2big n LYS 90 Ca 0.06 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 2big n LYS 90 Cb 0.59 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 33.00 2big n LYS 90 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2big n GLY 91 N 2.31 1.96 3.86 3.14 0.00 -1.26 -5.04 105.19 110.15 2big n GLY 91 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.34 2.41 -0.06 2.61 -4.23 -0.50 -4.92 115.64 108.61 2big s THR 92 Ca 0.00 -1.43 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2big s THR 92 Cb 0.00 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 71.00 2big s THR 92 CO 0.00 0.00 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.27 2big s ILE 93 N -2.55 1.49 -0.47 2.99 1.01 -0.46 -4.17 121.20 119.04 2big s ILE 93 Ca 0.45 -0.73 -0.24 0.00 0.00 0.00 0.00 60.65 60.13 2big s ILE 93 Cb -0.02 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.19 2big s ILE 93 CO 0.26 0.43 0.82 -0.83 0.00 0.00 0.00 174.94 175.62 2big s GLY 94 N 0.19 1.56 -0.23 6.18 0.00 0.47 -0.09 107.32 115.40 2big s GLY 94 Ca -0.08 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.53 2big s GLY 94 CO 0.03 1.85 0.14 0.21 0.00 0.00 0.00 173.10 175.34 2big s ASN 95 N 2.26 6.01 -0.02 1.64 3.84 -1.01 -1.53 114.94 126.13 2big s ASN 95 Ca 0.31 0.10 0.08 0.00 0.21 0.00 0.00 52.86 53.56 2big s ASN 95 Cb -0.12 -2.08 -0.02 0.00 -0.55 0.00 0.00 41.25 38.49 2big s ASN 95 CO 0.23 0.09 -0.26 -0.31 -2.79 0.00 0.00 177.10 174.06 2big s TYR 96 N 0.93 2.33 -0.29 0.43 1.51 -0.20 -0.28 117.35 121.79 2big s TYR 96 Ca 0.07 -0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 2big s TYR 96 Cb -0.13 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 2big s TYR 96 CO 0.03 -0.06 0.19 0.08 -1.11 0.00 0.00 175.55 174.68 2big s VAL 97 N -0.55 5.21 -0.40 0.71 1.01 -0.15 -0.63 120.40 125.61 2big s VAL 97 Ca 0.08 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 2big s VAL 97 Cb -0.10 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.77 2big s VAL 97 CO -0.00 0.21 0.58 -0.76 0.00 0.00 0.00 175.10 175.12 2big s LEU 98 N 1.74 4.46 0.00 3.92 1.43 -0.19 -4.52 118.68 125.53 2big s LEU 98 Ca 0.07 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2big s LEU 98 Cb -0.16 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2big s LEU 98 CO 0.10 -0.64 0.70 0.35 0.23 0.00 0.00 176.35 177.10 2big n THR 99 N 5.64 0.49 -3.18 5.49 -2.24 -1.26 -2.18 114.28 117.04 2big n THR 99 Ca -0.03 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2big n THR 99 Cb 0.48 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.25 -1.20 0.26 3.38 0.00 -1.26 -4.84 105.19 101.29 2big n GLY 100 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 0.88 -0.22 1.61 0.87 -1.99 -2.59 113.55 112.12 2big h SER 101 Ca 0.00 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 2big h SER 101 Cb 0.00 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2big h SER 101 CO 0.00 0.96 0.08 -0.50 -0.53 0.00 0.00 176.83 176.84 2big h TRP 102 N 0.76 0.40 -0.53 2.24 4.06 -1.97 -0.54 115.95 120.37 2big h TRP 102 Ca 0.15 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 2big h TRP 102 Cb 0.51 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.51 2big h TRP 102 CO 0.04 0.36 0.30 0.77 -3.56 0.00 0.00 178.44 176.35 2big h SER 103 N 0.41 0.66 -0.81 -3.49 0.02 -1.85 -2.11 113.55 106.37 2big h SER 103 Ca 0.10 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2big h SER 103 Cb 0.15 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 2big h SER 103 CO -0.00 0.55 0.44 -0.33 -1.14 0.00 0.00 176.83 176.34 2big h GLU 104 N 0.72 1.13 -0.51 3.45 5.08 -0.91 -1.37 114.58 122.17 2big h GLU 104 Ca 0.19 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2big h GLU 104 Cb 0.02 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2big h GLU 104 CO -0.03 0.84 0.05 0.87 -1.00 0.00 0.00 179.01 179.74 2big h LYS 105 N 1.13 0.82 -0.31 2.33 1.57 -0.88 -0.94 116.57 120.29 2big h LYS 105 Ca 0.29 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2big h LYS 105 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2big h LYS 105 CO -0.05 0.79 -0.03 0.00 -0.57 0.00 0.00 179.45 179.60 2big h ALA 106 N 1.28 0.42 -0.55 3.86 0.00 -0.94 -3.00 119.26 120.33 2big h ALA 106 Ca 0.16 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2big h ALA 106 Cb 0.40 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2big h ALA 106 CO 0.01 0.21 0.31 1.25 0.00 0.00 0.00 179.25 181.03 2big h LEU 107 N 0.35 0.48 -0.76 0.00 5.85 -1.01 -2.72 115.31 117.50 2big h LEU 107 Ca 0.08 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.92 2big h LEU 107 Cb 0.50 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 2big h LEU 107 CO 0.02 0.33 0.40 0.50 -0.34 0.00 0.00 178.44 179.36 2big h LYS 108 N 0.61 0.65 -0.43 1.25 3.64 -1.09 -1.38 116.57 119.83 2big h LYS 108 Ca 0.23 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2big h LYS 108 Cb 0.08 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2big h LYS 108 CO -0.13 0.43 -0.12 0.93 -2.27 0.00 0.00 179.45 178.30 2big h GLU 109 N 0.67 0.77 -0.30 1.90 4.39 -1.35 -2.69 114.58 117.97 2big h GLU 109 Ca 0.38 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 2big h GLU 109 Cb 0.39 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2big h GLU 109 CO -0.27 0.85 -0.11 0.00 -1.16 0.00 0.00 179.01 178.32 2big h ALA 110 N 1.17 1.26 0.00 3.43 0.00 -1.11 -2.68 119.26 121.33 2big h ALA 110 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2big h ALA 110 Cb 0.59 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2big h ALA 110 CO 0.04 0.49 -0.06 0.87 0.00 0.00 0.00 179.25 180.59 2big h LYS 111 N 0.46 0.00 0.00 0.00 1.57 -0.94 0.16 116.57 117.82 2big h LYS 111 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2big h LYS 111 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2big h LYS 111 CO 0.03 0.06 0.00 -0.07 -0.57 0.00 0.00 179.45 178.89 2big h LEU 112 N 0.00 0.00 0.00 2.94 3.38 -1.42 -3.34 115.31 116.88 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 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2big h LEU 112 CO 0.01 0.00 -0.59 0.18 0.09 0.00 0.00 178.44 178.13 2big n LEU 113 N -2.39 0.10 0.00 1.67 4.77 0.45 -5.10 117.00 116.49 2big n LEU 113 Ca 0.03 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2big n LEU 113 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2big n LEU 113 CO 0.25 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2big n GLY 114 N 1.59 -1.11 3.76 -0.72 0.00 -0.63 -5.00 105.19 103.08 2big n GLY 114 Ca 0.00 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.03 4.57 0.24 1.61 2.12 -1.26 -4.37 118.70 121.59 2big s GLU 115 Ca 0.00 1.77 0.03 0.00 0.36 0.00 0.00 54.97 57.14 2big s GLU 115 Cb 0.00 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 2big s GLU 115 CO 0.00 0.16 0.01 0.95 -0.54 0.00 0.00 175.26 175.83 2big s THR 116 N -1.23 1.03 0.07 -1.70 -4.23 -1.26 -0.39 115.64 107.93 2big s THR 116 Ca 0.46 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.76 2big s THR 116 Cb -0.31 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.17 2big s THR 116 CO 0.39 -0.28 0.44 -2.28 -0.54 0.00 0.00 174.62 172.36 2big s HIS 117 N -3.42 -0.30 -0.37 3.99 2.46 -0.58 -4.84 115.29 112.23 2big s HIS 117 Ca 0.30 0.20 -0.06 0.00 0.47 0.00 0.00 55.06 55.97 2big s HIS 117 Cb 0.06 0.27 0.06 0.00 -0.13 0.00 0.00 32.58 32.84 2big s HIS 117 CO 0.10 -0.63 0.15 0.42 -2.47 0.00 0.00 174.74 172.30 2big s ILE 118 N -2.86 3.73 0.22 0.89 1.01 -1.26 -1.03 121.20 121.91 2big s ILE 118 Ca -0.03 -1.37 -0.03 0.00 0.00 0.00 0.00 60.65 59.22 2big s ILE 118 Cb -0.00 -3.23 0.02 0.00 0.01 0.00 0.00 42.46 39.25 2big s ILE 118 CO -0.05 -0.34 1.61 0.00 0.00 0.00 0.00 174.94 176.16 2big h ALA 119 N 8.22 0.87 -1.93 9.38 0.00 -1.06 -3.45 119.26 131.29 2big h ALA 119 Ca -0.21 -0.41 0.15 0.00 0.00 0.00 0.00 54.91 54.44 2big h ALA 119 Cb 1.07 -0.12 -0.18 0.00 0.00 0.00 0.00 17.79 18.56 2big h ALA 119 CO 0.65 0.63 0.59 0.00 0.00 0.00 0.00 179.25 181.13 2big s ALA 120 N -4.40 -1.91 -0.27 0.00 0.00 -1.25 -0.61 121.76 113.31 2big s ALA 120 Ca -0.08 1.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 2big s ALA 120 Cb 0.13 0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.38 2big s ALA 120 CO 0.83 -0.59 0.76 0.45 0.00 0.00 0.00 175.76 177.20 2big s SER 121 N -2.15 -0.73 -0.23 0.00 0.15 -1.26 -1.02 113.70 108.46 2big s SER 121 Ca 0.05 1.38 0.14 0.00 0.70 0.00 0.00 55.95 58.22 2big s SER 121 Cb -0.01 1.39 0.56 0.00 -1.71 0.00 0.00 66.02 66.25 2big s SER 121 CO -0.06 -0.24 1.49 0.35 1.20 0.00 0.00 173.24 175.98 2big n THR 122 N 2.82 2.45 -0.33 6.45 -2.24 -0.93 -4.76 114.28 117.75 2big n THR 122 Ca -0.15 -2.06 0.03 0.00 -2.27 0.00 0.00 64.05 59.61 2big n THR 122 Cb 0.56 -0.29 0.18 0.00 -2.10 0.00 0.00 70.33 68.67 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 1.72 0.94 0.00 -0.78 3.64 -1.95 0.02 116.57 120.16 2big h LYS 123 Ca 0.10 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2big h LYS 123 Cb 1.63 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 2big h LYS 123 CO 0.34 0.62 -0.18 0.00 -2.27 0.00 0.00 179.45 177.97 2big h ALA 124 N 1.46 1.45 -0.68 5.00 0.00 -1.99 -0.78 119.26 123.72 2big h ALA 124 Ca 0.42 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 2big h ALA 124 Cb 0.30 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.93 2big h ALA 124 CO -0.21 0.22 0.24 0.09 0.00 0.00 0.00 179.25 179.58 2big n ASN 125 N -3.95 4.48 -3.05 0.00 4.13 -0.95 -4.94 115.26 110.99 2big n ASN 125 Ca -0.02 -3.28 -0.23 0.00 1.68 0.00 0.00 54.58 52.73 2big n ASN 125 Cb 0.26 -0.72 0.04 0.00 -1.54 0.00 0.00 39.78 37.82 2big n ASN 125 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2big n SER 126 N -0.34 -6.12 -3.57 6.41 7.64 -0.30 -3.51 113.62 113.82 2big n SER 126 Ca 0.40 -0.30 -0.19 0.00 1.01 0.00 0.00 58.87 59.79 2big n SER 126 Cb 1.33 -4.94 0.06 0.00 -1.01 0.00 0.00 64.21 59.65 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 -4.53 -2.06 1.11 1.43 0.53 -0.05 -4.90 117.16 108.70 2big n TYR 127 Ca -0.11 0.89 0.13 0.00 -1.02 0.00 0.00 57.90 57.79 2big n TYR 127 Cb 0.62 -4.73 0.41 0.00 -1.03 0.00 0.00 39.34 34.61 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 -4.21 0.24 -3.73 -0.72 6.02 -1.23 -4.84 117.38 108.90 2big n GLN 128 Ca -0.29 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 56.50 2big n GLN 128 Cb 0.67 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.41 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 -2.84 -0.32 -0.10 1.08 1.04 -1.26 -0.52 113.70 110.78 2big s SER 129 Ca 0.17 -0.45 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 2big s SER 129 Cb 0.19 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 2big s SER 129 CO 0.60 -1.15 0.59 -0.63 0.98 0.00 0.00 173.24 173.63 2big s ILE 130 N -3.87 5.11 0.66 -1.02 -1.09 -1.26 -4.73 121.20 115.00 2big s ILE 130 Ca 0.09 1.19 -0.17 0.00 -2.23 0.00 0.00 60.65 59.53 2big s ILE 130 Cb -0.03 -3.93 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 2big s ILE 130 CO -0.01 0.28 1.18 -2.16 -1.23 0.00 0.00 174.94 173.00 2big s PRO 131 N 0.80 2.64 0.37 2.79 0.04 -1.26 -4.96 135.00 135.42 2big s PRO 131 Ca 0.31 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 2big s PRO 131 Cb -0.16 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 2big s PRO 131 CO 0.14 -1.43 1.31 -0.51 0.04 0.00 0.00 177.00 176.55 2big s ASP 132 N -1.99 6.53 0.50 6.66 -0.00 -1.26 -4.90 116.67 122.21 2big s ASP 132 Ca 0.74 2.68 0.22 0.00 -0.00 0.00 0.00 52.55 56.19 2big s ASP 132 Cb -0.27 -2.64 1.30 0.00 -0.00 0.00 0.00 42.92 41.30 2big s ASP 132 CO 0.39 -0.70 2.05 -0.26 -0.00 0.00 0.00 175.17 176.65 2big h PHE 133 N 3.01 0.00 0.00 4.23 0.05 -2.00 0.66 116.94 122.89 2big h PHE 133 Ca -0.49 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.30 2big h PHE 133 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.19 2big h PHE 133 CO 0.54 0.14 0.00 0.66 -0.18 0.00 0.00 178.31 179.47 2big h SER 134 N 0.00 0.00 1.19 2.17 4.64 -2.03 -1.42 113.55 118.10 2big h SER 134 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2big h SER 134 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2big h SER 134 CO 0.02 0.00 -0.07 -0.62 -0.87 0.00 0.00 176.83 175.29 2big n GLU 135 N -2.55 0.14 -2.24 4.77 1.02 0.22 -4.90 120.64 117.11 2big n GLU 135 Ca -0.00 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 2big n GLU 135 Cb 0.14 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 2big n GLU 135 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2big s PHE 136 N -3.06 3.17 -0.44 -0.32 0.40 -0.54 -4.70 117.98 112.49 2big s PHE 136 Ca 0.12 0.99 -0.17 0.00 -0.60 0.00 0.00 56.93 57.27 2big s PHE 136 Cb 0.15 -3.62 0.04 0.00 0.51 0.00 0.00 43.02 40.10 2big s PHE 136 CO 0.58 -2.16 0.42 -0.65 0.70 0.00 0.00 175.22 174.12 2big s GLN 137 N 1.48 3.04 0.11 0.44 -0.21 0.22 -5.01 119.66 119.73 2big s GLN 137 Ca 0.63 -0.98 0.05 0.00 0.02 0.00 0.00 55.36 55.08 2big s GLN 137 Cb -0.34 -4.03 -0.04 0.00 1.00 0.00 0.00 33.01 29.61 2big s GLN 137 CO 0.29 -0.92 0.05 -0.51 -2.12 0.00 0.00 175.29 172.08 2big s LEU 138 N 1.99 3.63 0.02 2.90 1.43 -1.26 -4.32 118.68 123.06 2big s LEU 138 Ca 0.09 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 2big s LEU 138 Cb -0.19 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 2big s LEU 138 CO 0.11 0.14 -0.25 0.20 0.23 0.00 0.00 176.35 176.78 2big s ASN 139 N -2.57 3.20 0.52 2.29 0.01 -1.26 -5.03 114.94 112.11 2big s ASN 139 Ca 0.28 -0.52 0.17 0.00 -0.71 0.00 0.00 52.86 52.09 2big s ASN 139 Cb -0.11 -0.35 1.30 0.00 0.41 0.00 0.00 41.25 42.49 2big s ASN 139 CO 0.21 0.28 2.13 1.05 -1.51 0.00 0.00 177.10 179.26 2big h GLU 140 N 5.05 0.00 -0.84 -0.60 4.11 -2.00 -1.86 114.58 118.45 2big h GLU 140 Ca -0.45 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 58.62 2big h GLU 140 Cb 1.14 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.17 2big h GLU 140 CO 0.45 0.00 0.43 0.27 0.07 0.00 0.00 179.01 180.24 2big n ASN 141 N -4.51 4.18 -4.73 3.06 6.94 -1.26 -4.95 115.26 113.99 2big n ASN 141 Ca -0.01 -3.44 -0.42 0.00 -0.02 0.00 0.00 54.58 50.69 2big n ASN 141 Cb 0.16 -0.78 -0.03 0.00 -2.36 0.00 0.00 39.78 36.77 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 -1.27 6.43 0.21 0.53 1.01 -0.70 -1.36 116.67 121.52 2big s ASP 142 Ca 0.55 2.84 0.09 0.00 0.71 0.00 0.00 52.55 56.74 2big s ASP 142 Cb 0.46 -2.61 0.12 0.00 1.01 0.00 0.00 42.92 41.90 2big s ASP 142 CO 0.11 -0.92 1.47 0.00 0.21 0.00 0.00 175.17 176.05 2big h ALA 143 N 6.12 0.71 -1.88 5.23 0.00 -0.82 -3.45 119.26 125.17 2big h ALA 143 Ca -0.44 -0.70 0.23 0.00 0.00 0.00 0.00 54.91 53.99 2big h ALA 143 Cb 1.21 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 2big h ALA 143 CO 0.89 0.96 0.66 1.52 0.00 0.00 0.00 179.25 183.28 2big s TYR 144 N -3.25 -0.14 -0.16 0.00 1.13 -1.25 -4.27 117.35 109.41 2big s TYR 144 Ca -0.01 -0.03 0.01 0.00 -1.41 0.00 0.00 57.07 55.64 2big s TYR 144 Cb 0.11 0.57 0.01 0.00 -1.10 0.00 0.00 41.96 41.56 2big s TYR 144 CO 0.79 -0.49 -0.20 -1.17 -2.51 0.00 0.00 175.55 171.98 2big s LEU 145 N -2.74 2.18 -0.12 -3.49 2.96 -0.30 -2.40 118.68 114.78 2big s LEU 145 Ca 0.11 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 2big s LEU 145 Cb 0.01 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 2big s LEU 145 CO -0.03 0.04 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.74 2big s HIS 146 N 1.05 3.07 0.25 5.38 5.65 0.62 -0.57 115.29 130.75 2big s HIS 146 Ca -0.01 -0.06 0.06 0.00 0.25 0.00 0.00 55.06 55.30 2big s HIS 146 Cb -0.14 -1.87 -0.05 0.00 -1.18 0.00 0.00 32.58 29.33 2big s HIS 146 CO -0.07 0.20 -0.06 0.96 -0.65 0.00 0.00 174.74 175.13 2big s ILE 147 N -0.22 1.47 -0.28 0.89 -4.36 0.13 -0.98 121.20 117.85 2big s ILE 147 Ca 0.05 -2.11 0.02 0.00 -0.26 0.00 0.00 60.65 58.34 2big s ILE 147 Cb -0.13 -2.33 0.06 0.00 1.25 0.00 0.00 42.46 41.32 2big s ILE 147 CO 0.02 -0.38 -0.06 -0.89 0.24 0.00 0.00 174.94 173.88 2big s THR 148 N -3.13 2.41 0.21 8.37 2.01 -1.26 -1.37 115.64 122.88 2big s THR 148 Ca 0.27 -1.65 -0.07 0.00 0.31 0.00 0.00 61.69 60.56 2big s THR 148 Cb 0.04 -2.45 0.09 0.00 0.01 0.00 0.00 72.50 70.18 2big s THR 148 CO 0.10 -0.12 1.69 0.77 -0.69 0.00 0.00 174.62 176.37 2big h SER 149 N 7.82 0.97 -3.21 3.53 4.64 -1.74 -3.41 113.55 122.15 2big h SER 149 Ca -0.18 -0.25 -0.52 0.00 -0.47 0.00 0.00 61.79 60.37 2big h SER 149 Cb 1.04 -0.26 -0.37 0.00 -0.31 0.00 0.00 62.40 62.50 2big h SER 149 CO 0.49 1.01 -0.80 0.21 -0.87 0.00 0.00 176.83 176.87 2big s ASN 150 N -6.57 2.20 -0.87 4.97 2.47 -1.26 -1.05 114.94 114.83 2big s ASN 150 Ca -0.11 -0.33 -0.18 0.00 0.42 0.00 0.00 52.86 52.66 2big s ASN 150 Cb 0.14 -0.79 0.15 0.00 -1.45 0.00 0.00 41.25 39.30 2big s ASN 150 CO 0.84 -0.14 1.00 0.20 -3.72 0.00 0.00 177.10 175.28 2big s ASN 151 N 1.74 6.61 0.34 -4.21 0.01 0.16 -4.64 114.94 114.95 2big s ASN 151 Ca 0.04 -2.13 0.04 0.00 -0.71 0.00 0.00 52.86 50.10 2big s ASN 151 Cb -0.13 -2.34 0.65 0.00 0.41 0.00 0.00 41.25 39.84 2big s ASN 151 CO -0.08 -0.95 1.93 0.74 -1.51 0.00 0.00 177.10 177.23 2big h THR 152 N 5.57 1.03 0.04 1.60 2.02 -1.96 0.15 112.91 121.37 2big h THR 152 Ca 0.09 -0.30 -0.22 0.00 0.77 0.00 0.00 66.41 66.75 2big h THR 152 Cb 1.03 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2big h THR 152 CO 1.02 0.16 -1.00 0.40 0.37 0.00 0.00 175.52 176.47 2big h ILE 153 N 0.87 1.51 0.00 3.11 2.04 -1.97 -3.35 117.51 119.72 2big h ILE 153 Ca 0.35 -2.81 0.00 0.00 1.00 0.00 0.00 64.86 63.41 2big h ILE 153 Cb 0.25 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2big h ILE 153 CO -0.13 0.82 -1.44 -1.22 0.00 0.00 0.00 178.15 176.18 2big n TYR 154 N -3.60 0.04 -2.41 1.37 4.02 -0.77 -4.80 117.16 111.01 2big n TYR 154 Ca -0.05 0.01 -0.06 0.00 -0.01 0.00 0.00 57.90 57.79 2big n TYR 154 Cb 0.88 -0.28 0.01 0.00 -0.02 0.00 0.00 39.34 39.93 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 1.38 0.30 3.45 2.72 0.00 0.47 -4.47 105.19 109.02 2big n GLY 155 Ca 0.00 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.63 2.37 -0.18 2.61 -4.23 -1.23 -1.55 115.64 110.80 2big s THR 156 Ca 0.07 -2.30 -0.16 0.00 -1.18 0.00 0.00 61.69 58.12 2big s THR 156 Cb -0.03 -2.23 0.05 0.00 1.34 0.00 0.00 72.50 71.63 2big s THR 156 CO 0.09 -0.36 0.47 -1.58 -0.54 0.00 0.00 174.62 172.71 2big s GLN 157 N -3.32 0.55 0.23 3.99 0.74 -0.31 -0.67 119.66 120.87 2big s GLN 157 Ca 0.27 0.68 -0.31 0.00 0.05 0.00 0.00 55.36 56.05 2big s GLN 157 Cb -0.05 0.25 -0.11 0.00 1.10 0.00 0.00 33.01 34.19 2big s GLN 157 CO 0.13 -0.07 1.64 0.71 -0.55 0.00 0.00 175.29 177.14 2big s TYR 158 N 0.36 2.88 -0.01 1.67 1.51 -0.21 -4.70 117.35 118.84 2big s TYR 158 Ca -0.01 0.58 0.11 0.00 -1.01 0.00 0.00 57.07 56.74 2big s TYR 158 Cb -0.04 -4.06 -0.12 0.00 -0.11 0.00 0.00 41.96 37.63 2big s TYR 158 CO -0.01 -3.83 1.21 1.96 -1.11 0.00 0.00 175.55 173.78 2big h GLN 159 N 6.02 0.00 -2.90 -0.62 1.08 -1.91 -3.48 115.11 113.30 2big h GLN 159 Ca -0.44 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.78 2big h GLN 159 Cb 1.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2big h GLN 159 CO 0.88 0.70 0.34 0.54 -0.95 0.00 0.00 178.83 180.34 2big s ASN 160 N -6.45 -0.01 0.08 1.46 2.20 -1.26 -5.19 114.94 105.76 2big s ASN 160 Ca 0.01 -1.01 0.08 0.00 -0.94 0.00 0.00 52.86 51.00 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 -1.52 -0.21 -0.36 -2.94 0.00 0.00 177.10 172.87 2big s PHE 161 N -2.39 1.79 0.53 1.54 0.40 -1.26 -5.12 117.98 113.47 2big s PHE 161 Ca 0.16 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 55.91 2big s PHE 161 Cb -0.05 -1.01 -0.06 0.00 0.51 0.00 0.00 43.02 42.41 2big s PHE 161 CO 0.10 0.16 1.06 -1.25 0.70 0.00 0.00 175.22 175.99 2big s PRO 162 N -1.62 3.55 -0.49 0.24 0.04 -1.26 -4.99 135.00 130.46 2big s PRO 162 Ca 0.07 1.37 -0.22 0.00 0.04 0.00 0.00 61.00 62.26 2big s PRO 162 Cb -0.10 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.43 2big s PRO 162 CO 0.03 -0.64 0.79 -1.21 0.04 0.00 0.00 177.00 176.01 2big s GLU 163 N -3.49 3.32 -0.18 4.56 0.41 -1.26 -5.03 118.70 117.03 2big s GLU 163 Ca 0.67 -0.33 -0.02 0.00 -0.41 0.00 0.00 54.97 54.89 2big s GLU 163 Cb -0.18 -4.01 -0.01 0.00 -1.78 0.00 0.00 34.13 28.16 2big s GLU 163 CO 0.26 -1.25 -0.09 0.42 -0.49 0.00 0.00 175.26 174.12 2big s ILE 164 N 3.34 3.16 -0.04 -1.63 -1.09 -1.26 -5.01 121.20 118.66 2big s ILE 164 Ca 0.27 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 2big s ILE 164 Cb -0.14 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.35 2big s ILE 164 CO 0.19 0.48 0.04 0.59 -1.23 0.00 0.00 174.94 175.01 2big n ASN 165 N 4.24 0.18 0.02 3.58 3.02 -1.26 -4.76 115.26 120.29 2big n ASN 165 Ca -0.18 -0.51 0.12 0.00 -0.03 0.00 0.00 54.58 53.97 2big n ASN 165 Cb 0.52 1.00 0.12 0.00 -0.61 0.00 0.00 39.78 40.81 2big n ASN 165 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2big n HIS 166 N -1.04 0.21 -3.54 3.10 1.44 -1.26 -4.95 115.22 109.19 2big n HIS 166 Ca 0.00 0.06 -0.09 0.00 -2.01 0.00 0.00 57.72 55.68 2big n HIS 166 Cb 0.02 -0.38 -0.03 0.00 0.12 0.00 0.00 29.99 29.71 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 -3.11 -1.88 0.32 1.59 0.00 -1.26 -4.89 121.76 112.53 2big s ALA 167 Ca 0.07 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 2big s ALA 167 Cb 0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 23.12 2big s ALA 167 CO 0.75 -0.53 1.28 -1.25 0.00 0.00 0.00 175.76 176.02 2big s PRO 168 N -2.26 4.39 -0.12 0.00 0.04 -1.26 -4.75 135.00 131.04 2big s PRO 168 Ca 0.02 2.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.99 2big s PRO 168 Cb -0.01 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2big s PRO 168 CO -0.04 -0.14 0.74 -1.17 0.04 0.00 0.00 177.00 176.43 2big s LEU 169 N -1.73 4.25 -0.04 -3.56 2.96 -1.26 -1.15 118.68 118.14 2big s LEU 169 Ca 0.48 1.14 0.06 0.00 -0.22 0.00 0.00 54.13 55.60 2big s LEU 169 Cb -0.39 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.17 2big s LEU 169 CO 0.51 -0.24 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.44 2big s ILE 170 N 1.41 2.17 -0.03 6.68 -1.09 0.27 -0.45 121.20 130.15 2big s ILE 170 Ca 0.37 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 2big s ILE 170 Cb -0.17 -1.78 0.02 0.00 -1.58 0.00 0.00 42.46 38.95 2big s ILE 170 CO 0.15 0.57 -0.04 0.00 -1.23 0.00 0.00 174.94 174.40 2big s ALA 171 N -0.37 0.54 -0.71 9.38 0.00 -0.65 -0.69 121.76 129.26 2big s ALA 171 Ca 0.03 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.70 2big s ALA 171 Cb -0.12 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.70 2big s ALA 171 CO 0.02 0.00 1.23 0.34 0.00 0.00 0.00 175.76 177.35 2big s ASP 172 N 0.75 6.19 -0.27 0.00 -1.08 -0.47 -1.32 116.67 120.47 2big s ASP 172 Ca -0.09 -0.47 0.12 0.00 -0.52 0.00 0.00 52.55 51.59 2big s ASP 172 Cb -0.12 -2.54 0.63 0.00 -1.46 0.00 0.00 42.92 39.43 2big s ASP 172 CO -0.00 -1.75 1.61 0.23 0.52 0.00 0.00 175.17 175.78 2big n MET 173 N 9.06 3.14 -0.28 4.34 2.81 0.36 -1.86 117.12 134.68 2big n MET 173 Ca 0.03 -3.03 0.10 0.00 -1.81 0.00 0.00 57.70 52.99 2big n MET 173 Cb 0.49 -2.02 0.25 0.00 -0.71 0.00 0.00 33.22 31.22 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 2.11 -0.05 -0.42 7.83 0.02 -1.87 0.00 113.55 121.17 2big h SER 174 Ca 0.16 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2big h SER 174 Cb 1.90 0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.71 2big h SER 174 CO 0.49 -0.14 0.00 -1.54 -1.14 0.00 0.00 176.83 174.51 2big n SER 175 N -5.23 3.47 0.00 3.07 3.41 -1.26 -4.35 113.62 112.72 2big n SER 175 Ca 0.19 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 2big n SER 175 Cb 0.61 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.44 0.00 -4.75 4.04 5.75 -0.91 -4.86 116.55 117.27 2big n ASP 176 Ca 0.19 -1.00 -0.41 0.00 -0.01 0.00 0.00 54.79 53.56 2big n ASP 176 Cb 0.59 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.66 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 2.18 -1.54 2.12 1.10 -0.06 -2.14 121.20 122.87 2big s ILE 177 Ca 0.00 0.15 -0.05 0.00 -0.51 0.00 0.00 60.65 60.24 2big s ILE 177 Cb 0.00 -3.10 0.01 0.00 0.15 0.00 0.00 42.46 39.52 2big s ILE 177 CO 0.00 0.02 0.64 -0.11 -2.11 0.00 0.00 174.94 173.39 2big n LEU 178 N 2.28 -2.66 -0.61 8.50 7.94 -1.26 -4.83 117.00 126.36 2big n LEU 178 Ca 0.08 -0.31 0.12 0.00 -1.11 0.00 0.00 56.01 54.79 2big n LEU 178 Cb 0.38 -2.93 0.09 0.00 0.53 0.00 0.00 43.42 41.49 2big n LEU 178 CO 0.63 0.26 0.47 -1.54 -1.11 0.00 0.00 177.39 176.09 2big n SER 179 N -2.55 2.20 -3.60 1.96 3.41 -0.91 -4.92 113.62 109.21 2big n SER 179 Ca -0.10 -1.60 -0.04 0.00 -0.26 0.00 0.00 58.87 56.87 2big n SER 179 Cb 0.61 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.31 0.53 0.69 4.33 1.70 -1.26 -3.37 118.95 119.26 2big s ARG 180 Ca 0.23 -0.24 -0.17 0.00 -0.47 0.00 0.00 55.73 55.08 2big s ARG 180 Cb 0.19 0.22 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 2big s ARG 180 CO 0.47 -0.24 1.26 -2.30 -1.08 0.00 0.00 175.30 173.42 2big n PRO 181 N -0.26 0.88 -3.83 3.89 -0.02 -1.26 -4.92 135.00 129.48 2big n PRO 181 Ca -0.04 0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.67 2big n PRO 181 Cb 0.60 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 2big n PRO 181 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2big s LEU 182 N -4.61 1.64 -0.98 2.45 2.96 -1.26 -5.07 118.68 113.81 2big s LEU 182 Ca 0.80 0.05 -0.18 0.00 -0.22 0.00 0.00 54.13 54.58 2big s LEU 182 Cb -0.36 0.03 0.13 0.00 0.50 0.00 0.00 46.19 46.49 2big s LEU 182 CO 0.43 -0.05 1.19 -0.75 -1.32 0.00 0.00 176.35 175.86 2big s LYS 183 N 0.36 3.67 0.49 1.98 2.20 -1.26 -4.83 119.74 122.35 2big s LYS 183 Ca -0.03 -1.83 0.15 0.00 -0.36 0.00 0.00 55.97 53.90 2big s LYS 183 Cb -0.04 -4.97 1.17 0.00 -1.51 0.00 0.00 37.83 32.47 2big s LYS 183 CO -0.01 -1.81 2.10 0.28 -0.36 0.00 0.00 175.35 175.55 2big h VAL 184 N 5.74 1.04 0.00 4.02 2.07 -1.84 -2.22 116.25 125.06 2big h VAL 184 Ca 0.18 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2big h VAL 184 Cb 1.00 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2big h VAL 184 CO 1.15 0.06 0.00 -0.46 0.02 0.00 0.00 177.57 178.34 2big n ASN 185 N -4.48 0.00 0.15 0.57 0.23 -1.26 -1.12 115.26 109.35 2big n ASN 185 Ca -0.02 -0.25 0.13 0.00 -0.53 0.00 0.00 54.58 53.91 2big n ASN 185 Cb 0.13 -0.13 0.51 0.00 -2.08 0.00 0.00 39.78 38.21 2big n ASN 185 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 2big h GLN 186 N 0.00 0.00 -6.79 -3.83 4.20 -1.81 -3.46 115.11 103.43 2big h GLN 186 Ca 0.00 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 2big h GLN 186 Cb 0.07 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.62 2big h GLN 186 CO 0.00 0.00 -0.85 -0.06 -0.67 0.00 0.00 178.83 177.25 2big s PHE 187 N -3.34 2.40 0.01 2.96 0.40 -0.28 -4.49 117.98 115.64 2big s PHE 187 Ca 0.04 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2big s PHE 187 Cb 0.09 -1.33 -0.26 0.00 0.51 0.00 0.00 43.02 42.04 2big s PHE 187 CO 0.43 0.29 0.88 0.78 0.70 0.00 0.00 175.22 178.31 2big h GLY 188 N 4.15 0.18 -4.80 4.36 0.00 -1.05 -3.45 103.07 102.47 2big h GLY 188 Ca -0.49 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.29 2big h GLY 188 CO 0.43 0.40 -0.05 -0.29 0.00 0.00 0.00 176.54 177.03 2big s MET 189 N -2.63 0.73 -0.03 4.80 -2.45 -1.18 -1.25 119.30 117.29 2big s MET 189 Ca -0.07 0.50 0.03 0.00 -1.25 0.00 0.00 55.69 54.91 2big s MET 189 Cb 0.08 0.35 -0.00 0.00 1.25 0.00 0.00 34.83 36.50 2big s MET 189 CO 0.84 -0.15 -0.13 0.42 1.05 0.00 0.00 175.02 177.05 2big s ILE 190 N -0.28 1.11 0.08 10.11 1.01 -0.37 -1.64 121.20 131.22 2big s ILE 190 Ca -0.05 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.09 2big s ILE 190 Cb -0.03 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 2big s ILE 190 CO 0.03 0.33 -0.08 -0.72 0.00 0.00 0.00 174.94 174.50 2big s TYR 191 N 0.11 0.88 -0.29 3.97 -0.85 -0.43 -0.40 117.35 120.34 2big s TYR 191 Ca -0.03 -0.67 -0.13 0.00 -0.52 0.00 0.00 57.07 55.72 2big s TYR 191 Cb -0.10 -0.51 0.11 0.00 0.38 0.00 0.00 41.96 41.85 2big s TYR 191 CO 0.01 -0.07 0.69 0.00 -1.52 0.00 0.00 175.55 174.66 2big s ALA 192 N -2.39 -2.01 0.37 9.51 0.00 -0.22 -0.49 121.76 126.54 2big s ALA 192 Ca 0.02 2.37 -0.28 0.00 0.00 0.00 0.00 51.96 54.06 2big s ALA 192 Cb -0.03 -1.64 -0.11 0.00 0.00 0.00 0.00 23.12 21.34 2big s ALA 192 CO -0.01 -0.68 1.46 0.41 0.00 0.00 0.00 175.76 176.94 2big n GLY 193 N 4.89 1.10 0.27 0.00 0.00 -1.26 -0.89 105.19 109.30 2big n GLY 193 Ca -0.16 0.32 0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 2.97 1.00 0.00 4.61 0.00 -1.38 -3.36 119.26 123.11 2big h ALA 194 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2big h ALA 194 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2big h ALA 194 CO 0.64 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.90 2big n GLN 195 N -3.10 0.87 -0.13 0.00 0.00 -1.16 -0.63 117.38 113.23 2big n GLN 195 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 57.00 56.75 2big n GLN 195 Cb 0.33 -1.28 -0.09 0.00 0.00 0.00 0.00 30.24 29.20 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 -0.78 0.58 0.00 2.61 4.76 -1.26 -3.24 118.16 120.83 2big n LYS 196 Ca 0.12 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2big n LYS 196 Cb 0.05 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 2big n LYS 196 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2big n ASN 197 N -4.30 0.78 0.00 4.39 5.15 -1.21 -4.77 115.26 115.31 2big n ASN 197 Ca -0.47 -0.98 0.00 0.00 -0.60 0.00 0.00 54.58 52.54 2big n ASN 197 Cb 0.81 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 40.10 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 -0.03 0.54 0.00 1.20 4.77 0.20 -4.81 117.00 118.88 2big n LEU 198 Ca 0.00 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2big n LEU 198 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2big n LEU 198 CO 0.00 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2big n GLY 199 N 0.14 0.91 3.77 -0.72 0.00 -0.37 -4.41 105.19 104.52 2big n GLY 199 Ca 0.00 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 4.09 0.65 1.61 0.04 -1.26 -4.07 135.00 136.05 2big s PRO 200 Ca 0.00 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 2big s PRO 200 Cb 0.00 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 2big s PRO 200 CO 0.00 -0.30 1.06 -1.54 0.04 0.00 0.00 177.00 176.25 2big s SER 201 N -1.06 5.60 0.00 6.66 1.04 -1.26 -3.01 113.70 121.67 2big s SER 201 Ca 0.56 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.68 2big s SER 201 Cb -0.32 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.29 2big s SER 201 CO 0.40 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2big n GLY 202 N -1.59 0.73 3.05 7.32 0.00 -1.26 -4.82 105.19 108.62 2big n GLY 202 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.61 -0.12 1.61 0.11 -1.26 -4.60 120.40 114.75 2big s VAL 203 Ca 0.00 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.19 2big s VAL 203 Cb 0.00 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 2big s VAL 203 CO 0.00 -0.21 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.47 2big s THR 204 N -1.02 1.84 -0.17 5.04 2.01 0.62 -1.29 115.64 122.66 2big s THR 204 Ca -0.05 -0.86 -0.19 0.00 0.31 0.00 0.00 61.69 60.89 2big s THR 204 Cb -0.08 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2big s THR 204 CO 0.00 0.51 0.54 -0.69 -0.69 0.00 0.00 174.62 174.30 2big s VAL 205 N 0.73 5.10 -0.18 3.82 1.01 -0.07 -1.13 120.40 129.68 2big s VAL 205 Ca -0.11 1.03 0.01 0.00 0.00 0.00 0.00 61.98 62.91 2big s VAL 205 Cb -0.16 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2big s VAL 205 CO 0.01 0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.51 2big s VAL 206 N 1.43 1.59 -0.31 2.92 1.01 -0.40 -1.05 120.40 125.58 2big s VAL 206 Ca 0.26 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 2big s VAL 206 Cb -0.16 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2big s VAL 206 CO 0.10 0.29 0.15 -0.63 0.00 0.00 0.00 175.10 175.01 2big s ILE 207 N 1.45 4.58 -0.04 2.22 1.01 0.46 0.08 121.20 130.95 2big s ILE 207 Ca 0.01 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.30 2big s ILE 207 Cb -0.15 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2big s ILE 207 CO -0.09 0.08 -0.18 0.68 0.00 0.00 0.00 174.94 175.42 2big s VAL 208 N 1.61 1.51 -0.18 2.92 -7.23 -0.30 -1.24 120.40 117.50 2big s VAL 208 Ca 0.05 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.15 2big s VAL 208 Cb -0.17 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2big s VAL 208 CO 0.06 0.43 1.50 -0.75 -0.31 0.00 0.00 175.10 176.03 2big s LYS 209 N -0.06 4.01 0.20 4.82 2.20 -0.38 -0.64 119.74 129.88 2big s LYS 209 Ca -0.02 1.74 -0.10 0.00 -0.36 0.00 0.00 55.97 57.23 2big s LYS 209 Cb -0.11 -3.94 0.19 0.00 -1.51 0.00 0.00 37.83 32.46 2big s LYS 209 CO 0.02 -1.02 1.83 0.87 -0.36 0.00 0.00 175.35 176.68 2big h LYS 210 N 9.66 0.72 0.00 4.03 1.57 -1.58 -1.93 116.57 129.04 2big h LYS 210 Ca -0.32 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2big h LYS 210 Cb 1.14 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2big h LYS 210 CO 0.99 0.48 0.00 -0.40 -0.57 0.00 0.00 179.45 179.94 2big n ASP 211 N -4.74 0.00 0.11 0.86 5.68 -1.26 -1.61 116.55 115.60 2big n ASP 211 Ca 0.07 0.29 -0.01 0.00 -0.50 0.00 0.00 54.79 54.64 2big n ASP 211 Cb 0.12 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 39.65 2big n ASP 211 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2big h LEU 212 N 0.00 0.00 -1.24 -2.12 5.85 -1.74 -3.41 115.31 112.66 2big h LEU 212 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2big h LEU 212 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2big h LEU 212 CO 0.00 0.67 0.00 0.18 -0.34 0.00 0.00 178.44 178.95 2big n LEU 213 N -3.27 0.37 -1.09 2.25 4.77 -0.86 -4.82 117.00 114.35 2big n LEU 213 Ca 0.01 -0.37 0.07 0.00 -0.03 0.00 0.00 56.01 55.70 2big n LEU 213 Cb 0.80 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 42.13 2big n LEU 213 CO 0.43 0.09 0.69 -0.46 -1.33 0.00 0.00 177.39 176.81 2big n ASN 214 N -0.09 3.17 -4.69 -1.43 0.23 -0.63 -3.01 115.26 108.82 2big n ASN 214 Ca 0.00 -2.19 -0.35 0.00 -0.53 0.00 0.00 54.58 51.51 2big n ASN 214 Cb 0.42 -0.42 -0.09 0.00 -2.08 0.00 0.00 39.78 37.60 2big n ASN 214 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2big s THR 215 N -1.58 4.44 0.28 5.53 2.01 -1.26 -4.79 115.64 120.28 2big s THR 215 Ca 0.35 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 2big s THR 215 Cb 0.21 -2.89 -0.13 0.00 0.01 0.00 0.00 72.50 69.70 2big s THR 215 CO 0.20 0.59 1.28 0.29 -0.69 0.00 0.00 174.62 176.29 2big n LYS 216 N 2.26 1.92 -3.77 4.92 4.01 -1.26 -4.68 118.16 121.56 2big n LYS 216 Ca -0.19 0.68 -0.37 0.00 -0.51 0.00 0.00 58.31 57.92 2big n LYS 216 Cb 0.54 -2.25 -0.13 0.00 -0.51 0.00 0.00 35.03 32.68 2big n LYS 216 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2big s VAL 217 N -0.64 3.71 -0.24 -0.18 1.01 -1.26 -5.07 120.40 117.74 2big s VAL 217 Ca 0.62 -1.13 -0.41 0.00 0.00 0.00 0.00 61.98 61.06 2big s VAL 217 Cb -0.64 -3.09 -0.18 0.00 0.00 0.00 0.00 36.38 32.48 2big s VAL 217 CO 0.56 -0.15 1.55 -1.84 0.00 0.00 0.00 175.10 175.22 2big n GLU 218 N 4.80 0.70 -0.07 2.72 0.00 -1.26 -2.01 120.64 125.51 2big n GLU 218 Ca -0.13 0.25 0.00 0.00 0.00 0.00 0.00 57.16 57.29 2big n GLU 218 Cb 0.45 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 30.03 2big n GLU 218 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2big n GLN 219 N 4.00 0.00 -3.38 3.44 -0.06 -1.26 -5.02 117.38 115.09 2big n GLN 219 Ca 0.25 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.88 2big n GLN 219 Cb 0.08 -0.77 -0.06 0.00 -4.06 0.00 0.00 30.24 25.43 2big n GLN 219 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2big s VAL 220 N -2.54 5.19 0.53 1.69 1.01 -0.85 -5.02 120.40 120.41 2big s VAL 220 Ca 0.00 0.86 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 2big s VAL 220 Cb 0.00 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2big s VAL 220 CO 0.00 0.37 0.82 -2.65 0.00 0.00 0.00 175.10 173.64 2big n PRO 221 N 3.44 0.88 -0.14 2.72 -0.02 -1.26 -4.77 135.00 135.86 2big n PRO 221 Ca -0.09 0.33 -0.04 0.00 -2.02 0.00 0.00 63.50 61.68 2big n PRO 221 Cb 0.52 -1.95 0.02 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.72 0.44 0.00 3.45 2.02 -1.96 0.45 112.91 118.03 2big h THR 222 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2big h THR 222 Cb 1.37 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2big h THR 222 CO 0.51 0.00 0.00 0.24 0.37 0.00 0.00 175.52 176.64 2big h MET 223 N -0.07 0.00 -0.26 6.66 2.86 -2.02 -2.85 114.93 119.25 2big h MET 223 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2big h MET 223 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2big h MET 223 CO -0.51 0.00 0.00 1.28 1.06 0.00 0.00 176.91 178.74 2big n LEU 224 N -2.77 3.12 -4.69 1.22 4.77 0.12 -4.89 117.00 113.88 2big n LEU 224 Ca -0.00 -1.37 -0.40 0.00 -0.03 0.00 0.00 56.01 54.20 2big n LEU 224 Cb 0.18 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2big n LEU 224 CO 0.21 0.64 0.42 -1.10 -1.33 0.00 0.00 177.39 176.23 2big s GLN 225 N -1.47 4.32 0.42 3.23 -0.21 -1.06 -4.81 119.66 120.09 2big s GLN 225 Ca 0.32 0.78 0.08 0.00 0.02 0.00 0.00 55.36 56.56 2big s GLN 225 Cb 0.19 -3.52 0.90 0.00 1.00 0.00 0.00 33.01 31.59 2big s GLN 225 CO 0.27 -0.12 2.07 1.88 -2.12 0.00 0.00 175.29 177.27 2big h TYR 226 N 7.13 0.45 -0.89 0.91 -1.99 -1.89 -2.61 116.97 118.07 2big h TYR 226 Ca -0.35 0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.50 2big h TYR 226 Cb 1.16 -0.15 -0.07 0.00 2.00 0.00 0.00 36.73 39.68 2big h TYR 226 CO 0.68 0.29 0.57 0.00 -0.00 0.00 0.00 178.16 179.70 2big h ALA 227 N 1.77 1.72 -0.29 3.88 0.00 -1.81 0.30 119.26 124.83 2big h ALA 227 Ca 0.13 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2big h ALA 227 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2big h ALA 227 CO -0.03 0.08 0.13 1.15 0.00 0.00 0.00 179.25 180.58 2big h THR 228 N 0.80 0.98 0.01 0.00 2.02 -1.73 -0.50 112.91 114.48 2big h THR 228 Ca 0.43 -0.10 -0.21 0.00 0.77 0.00 0.00 66.41 67.30 2big h THR 228 Cb 0.53 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2big h THR 228 CO -0.19 0.05 -0.91 0.45 0.37 0.00 0.00 175.52 175.30 2big h HIS 229 N 0.28 0.37 0.18 3.16 3.86 -1.35 -2.33 115.15 119.33 2big h HIS 229 Ca 0.12 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2big h HIS 229 Cb 0.05 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.48 2big h HIS 229 CO -0.10 1.02 -0.09 0.82 0.86 0.00 0.00 177.93 180.44 2big h ILE 230 N 0.13 0.89 -0.57 2.45 2.04 -0.81 -0.37 117.51 121.27 2big h ILE 230 Ca -0.05 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2big h ILE 230 Cb 1.54 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 2big h ILE 230 CO 0.14 0.08 0.33 0.11 0.00 0.00 0.00 178.15 178.81 2big h LYS 231 N -0.41 0.78 -0.41 2.37 1.57 -1.08 -2.71 116.57 116.67 2big h LYS 231 Ca -0.03 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2big h LYS 231 Cb 0.32 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2big h LYS 231 CO 0.04 0.56 0.00 0.43 -0.57 0.00 0.00 179.45 179.91 2big n SER 232 N -4.41 3.05 -3.87 0.86 7.64 -0.88 -4.95 113.62 111.06 2big n SER 232 Ca 0.05 -1.94 -0.28 0.00 1.01 0.00 0.00 58.87 57.72 2big n SER 232 Cb 0.09 -0.27 0.02 0.00 -1.01 0.00 0.00 64.21 63.04 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 1.20 -3.31 -2.11 6.43 2.03 -0.54 -1.66 116.55 118.59 2big n ASP 233 Ca 0.19 -0.82 -0.20 0.00 0.52 0.00 0.00 54.79 54.48 2big n ASP 233 Cb 0.52 -3.81 -0.02 0.00 -0.72 0.00 0.00 41.12 37.09 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 -2.90 -5.58 -0.67 1.67 7.64 -0.26 -4.86 113.62 108.66 2big n SER 234 Ca -0.08 0.07 0.06 0.00 1.01 0.00 0.00 58.87 59.92 2big n SER 234 Cb 0.58 -4.65 0.15 0.00 -1.01 0.00 0.00 64.21 59.29 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 -2.72 2.18 0.01 -3.43 4.77 -0.66 -4.68 117.00 112.47 2big n LEU 235 Ca -0.23 -3.25 -0.11 0.00 -0.03 0.00 0.00 56.01 52.39 2big n LEU 235 Cb 0.67 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2big n LEU 235 CO 0.28 1.05 0.89 0.22 -1.33 0.00 0.00 177.39 178.50 2big h TYR 236 N 0.77 0.09 -3.94 -1.77 3.20 -1.87 -3.45 116.97 110.00 2big h TYR 236 Ca -0.04 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 2big h TYR 236 Cb 1.19 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 2big h TYR 236 CO 0.48 0.08 -0.02 0.27 -1.64 0.00 0.00 178.16 177.34 2big n ASN 237 N -5.03 1.95 -4.67 -2.11 6.94 -1.26 -5.08 115.26 106.00 2big n ASN 237 Ca -0.06 -1.09 -0.43 0.00 -0.02 0.00 0.00 54.58 52.99 2big n ASN 237 Cb 0.04 0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.45 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 -1.12 4.13 0.79 5.53 2.01 -1.26 -4.99 115.64 120.73 2big s THR 238 Ca 0.00 1.41 -0.12 0.00 0.31 0.00 0.00 61.69 63.29 2big s THR 238 Cb 0.00 -3.91 0.07 0.00 0.01 0.00 0.00 72.50 68.67 2big s THR 238 CO 0.00 -0.08 1.13 -2.16 -0.69 0.00 0.00 174.62 172.82 2big s PRO 239 N 3.14 2.16 -1.20 4.92 0.04 -1.26 -4.94 135.00 137.86 2big s PRO 239 Ca 0.58 0.34 -0.20 0.00 0.04 0.00 0.00 61.00 61.76 2big s PRO 239 Cb -0.25 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.40 2big s PRO 239 CO 0.19 -1.50 1.64 -1.25 0.04 0.00 0.00 177.00 176.12 2big s PRO 240 N -5.40 3.85 0.16 0.56 0.04 -1.26 -4.83 135.00 128.12 2big s PRO 240 Ca 0.61 -1.69 -0.11 0.00 0.04 0.00 0.00 61.00 59.85 2big s PRO 240 Cb -0.12 -5.48 0.04 0.00 0.04 0.00 0.00 34.50 28.98 2big s PRO 240 CO 0.51 -2.24 1.63 1.79 0.04 0.00 0.00 177.00 178.73 2big h THR 241 N 6.01 1.26 -0.50 1.26 1.35 -1.95 -1.01 112.91 119.32 2big h THR 241 Ca 0.36 -1.05 -0.11 0.00 -0.55 0.00 0.00 66.41 65.06 2big h THR 241 Cb 0.92 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 2big h THR 241 CO 1.45 0.38 -0.12 0.15 -0.25 0.00 0.00 175.52 177.12 2big h PHE 242 N 0.81 1.06 -0.73 4.73 3.57 -1.88 -0.61 116.94 123.89 2big h PHE 242 Ca 0.16 -0.22 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 2big h PHE 242 Cb 0.48 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2big h PHE 242 CO 0.04 1.01 0.22 0.77 -2.23 0.00 0.00 178.31 178.11 2big h SER 243 N 0.85 1.07 -0.27 0.41 0.02 -1.77 0.04 113.55 113.90 2big h SER 243 Ca 0.13 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 2big h SER 243 Cb 0.67 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2big h SER 243 CO 0.05 1.00 -0.26 0.40 -1.14 0.00 0.00 176.83 176.88 2big h ILE 244 N 1.08 1.27 -0.23 3.27 2.04 -0.96 -0.54 117.51 123.46 2big h ILE 244 Ca 0.23 -1.38 0.04 0.00 1.00 0.00 0.00 64.86 64.75 2big h ILE 244 Cb 0.32 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2big h ILE 244 CO -0.01 0.46 -0.01 0.22 0.00 0.00 0.00 178.15 178.81 2big h TYR 245 N 0.65 -0.03 -0.74 1.37 3.20 -0.88 0.13 116.97 120.68 2big h TYR 245 Ca 0.08 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 2big h TYR 245 Cb 0.78 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 2big h TYR 245 CO 0.04 -0.04 0.27 0.52 -1.64 0.00 0.00 178.16 177.31 2big h MET 246 N 0.06 1.13 -0.36 1.82 2.86 -0.71 -1.16 114.93 118.57 2big h MET 246 Ca 0.11 -0.22 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2big h MET 246 Cb 0.14 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 2big h MET 246 CO -0.19 0.94 0.04 1.25 1.06 0.00 0.00 176.91 180.01 2big h LEU 247 N 1.09 -0.06 -0.34 1.22 5.85 -0.85 -0.42 115.31 121.80 2big h LEU 247 Ca 0.25 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.10 2big h LEU 247 Cb 0.25 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2big h LEU 247 CO -0.02 0.01 -0.09 -0.09 -0.34 0.00 0.00 178.44 177.91 2big h ARG 248 N 0.15 -0.01 -0.84 1.25 1.12 -0.42 0.39 114.38 116.02 2big h ARG 248 Ca 0.18 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 59.06 2big h ARG 248 Cb 0.22 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.14 2big h ARG 248 CO -0.26 -0.01 0.55 -0.91 -3.11 0.00 0.00 179.97 176.24 2big h ASN 249 N -0.01 0.95 -0.39 -3.80 4.21 -0.53 0.14 115.58 116.14 2big h ASN 249 Ca 0.16 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.61 2big h ASN 249 Cb 0.26 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 2big h ASN 249 CO -0.35 0.68 0.07 0.58 -1.29 0.00 0.00 177.43 177.12 2big h VAL 250 N 1.12 1.24 -0.68 2.81 2.07 -0.62 -2.36 116.25 119.83 2big h VAL 250 Ca 0.31 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2big h VAL 250 Cb -0.10 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2big h VAL 250 CO -0.08 0.29 0.34 -0.07 0.02 0.00 0.00 177.57 178.07 2big h LEU 251 N 0.49 0.86 -0.95 2.57 3.38 -0.44 -0.80 115.31 120.42 2big h LEU 251 Ca 0.12 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2big h LEU 251 Cb 0.35 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2big h LEU 251 CO 0.01 0.72 0.62 0.44 0.09 0.00 0.00 178.44 180.31 2big h ASP 252 N 0.96 1.02 -0.46 -0.43 3.32 -0.77 -1.08 116.42 118.97 2big h ASP 252 Ca 0.24 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 2big h ASP 252 Cb 0.08 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2big h ASP 252 CO -0.03 0.69 0.09 -0.25 -1.72 0.00 0.00 179.24 178.02 2big h TRP 253 N 1.18 0.79 -0.51 4.55 7.01 -0.77 -0.02 115.95 128.17 2big h TRP 253 Ca 0.39 -0.10 0.02 0.00 2.11 0.00 0.00 58.89 61.31 2big h TRP 253 Cb 0.04 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 2big h TRP 253 CO -0.01 0.73 0.31 0.82 -2.79 0.00 0.00 178.44 177.50 2big h ILE 254 N 0.62 1.06 -0.40 2.65 2.04 -0.82 -1.86 117.51 120.80 2big h ILE 254 Ca 0.14 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2big h ILE 254 Cb 0.35 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2big h ILE 254 CO 0.01 0.11 0.25 0.50 0.00 0.00 0.00 178.15 179.02 2big h LYS 255 N 0.62 0.53 -0.62 2.37 3.64 -0.99 -0.36 116.57 121.75 2big h LYS 255 Ca 0.20 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2big h LYS 255 Cb 0.01 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 2big h LYS 255 CO -0.09 0.37 0.41 -0.44 -2.27 0.00 0.00 179.45 177.43 2big h ASP 256 N 0.53 0.62 0.24 4.20 3.32 -0.38 -1.47 116.42 123.48 2big h ASP 256 Ca 0.14 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2big h ASP 256 Cb -0.04 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2big h ASP 256 CO -0.03 0.42 -0.03 0.18 -1.72 0.00 0.00 179.24 178.06 2big n LEU 257 N -4.47 0.29 0.00 1.55 7.99 -0.76 -4.87 117.00 116.74 2big n LEU 257 Ca 0.08 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 2big n LEU 257 Cb 0.15 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 2big n LEU 257 CO 0.35 0.05 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 2big n GLY 258 N 1.17 1.44 7.00 -0.72 0.00 -0.55 -4.75 105.19 108.76 2big n GLY 258 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.72 -1.23 0.34 -0.02 0.00 -0.17 -3.48 105.19 99.91 2big n GLY 259 Ca 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.22 1.26 -0.47 4.61 0.00 -1.86 -1.06 119.26 121.53 2big h ALA 260 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2big h ALA 260 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2big h ALA 260 CO 0.00 0.59 -0.04 0.93 0.00 0.00 0.00 179.25 180.73 2big h GLU 261 N 1.07 0.86 -0.38 0.00 5.08 -1.92 -1.41 114.58 117.88 2big h GLU 261 Ca 0.27 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2big h GLU 261 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2big h GLU 261 CO -0.04 0.93 -0.36 0.00 -1.00 0.00 0.00 179.01 178.54 2big h ALA 262 N 0.91 0.65 -0.14 3.43 0.00 -1.50 -2.57 119.26 120.03 2big h ALA 262 Ca 0.13 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2big h ALA 262 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2big h ALA 262 CO 0.03 0.67 -0.46 0.97 0.00 0.00 0.00 179.25 180.46 2big h ILE 263 N 0.73 1.33 -0.72 0.00 6.09 -1.13 -2.16 117.51 121.65 2big h ILE 263 Ca 0.07 -1.66 -0.00 0.00 -1.37 0.00 0.00 64.86 61.90 2big h ILE 263 Cb 0.93 1.73 -0.04 0.00 0.47 0.00 0.00 36.82 39.91 2big h ILE 263 CO 0.09 0.50 0.45 0.00 -3.07 0.00 0.00 178.15 176.12 2big h ALA 264 N 1.23 0.92 -0.53 0.18 0.00 -1.12 0.11 119.26 120.05 2big h ALA 264 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2big h ALA 264 Cb 0.92 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2big h ALA 264 CO 0.08 0.38 0.35 -0.22 0.00 0.00 0.00 179.25 179.84 2big h LYS 265 N 0.99 0.70 -0.50 0.00 3.64 -1.05 0.17 116.57 120.52 2big h LYS 265 Ca 0.26 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2big h LYS 265 Cb -0.05 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2big h LYS 265 CO -0.05 0.46 0.18 0.37 -2.27 0.00 0.00 179.45 178.15 2big h GLN 266 N 0.72 0.76 -0.55 1.90 5.75 -1.06 -1.89 115.11 120.75 2big h GLN 266 Ca 0.20 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.44 2big h GLN 266 Cb -0.08 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 2big h GLN 266 CO -0.04 0.69 -0.07 -0.91 -2.65 0.00 0.00 178.83 175.85 2big h ASN 267 N 0.67 1.00 -0.66 -0.69 2.35 -0.49 -1.40 115.58 116.37 2big h ASN 267 Ca 0.17 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 2big h ASN 267 Cb 0.23 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2big h ASN 267 CO -0.01 1.09 0.30 -0.33 -1.65 0.00 0.00 177.43 176.83 2big h GLU 268 N 0.91 0.95 -0.51 0.81 5.08 -0.84 -0.96 114.58 120.03 2big h GLU 268 Ca 0.15 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2big h GLU 268 Cb 0.62 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2big h GLU 268 CO 0.04 0.77 0.19 1.49 -1.00 0.00 0.00 179.01 180.50 2big h GLU 269 N 0.91 0.77 0.00 2.33 4.81 -0.95 -1.45 114.58 121.00 2big h GLU 269 Ca 0.22 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 2big h GLU 269 Cb 0.14 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2big h GLU 269 CO -0.03 0.69 -0.88 1.57 -0.73 0.00 0.00 179.01 179.64 2big h LYS 270 N 0.69 0.00 -0.63 1.92 2.10 -1.12 -2.40 116.57 117.13 2big h LYS 270 Ca 0.17 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.81 2big h LYS 270 Cb 0.22 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.52 2big h LYS 270 CO -0.01 0.88 0.35 0.00 -2.00 0.00 0.00 179.45 178.67 2big h ALA 271 N 1.12 0.81 -0.57 0.07 0.00 -1.11 -2.69 119.26 116.89 2big h ALA 271 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2big h ALA 271 Cb 1.63 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2big h ALA 271 CO 0.11 0.32 0.33 -0.22 0.00 0.00 0.00 179.25 179.80 2big h LYS 272 N 0.86 0.77 -0.59 0.00 3.64 -1.02 0.22 116.57 120.45 2big h LYS 272 Ca 0.22 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2big h LYS 272 Cb 0.03 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 2big h LYS 272 CO -0.04 0.55 0.29 0.82 -2.27 0.00 0.00 179.45 178.81 2big h ILE 273 N 0.78 0.91 0.05 2.00 2.04 -1.09 0.17 117.51 122.38 2big h ILE 273 Ca 0.20 -0.19 -0.16 0.00 1.00 0.00 0.00 64.86 65.71 2big h ILE 273 Cb -0.01 0.33 0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2big h ILE 273 CO -0.04 0.10 -0.68 0.40 0.00 0.00 0.00 178.15 177.94 2big h ILE 274 N 0.54 1.46 -0.41 -0.67 2.04 -1.30 -2.80 117.51 116.38 2big h ILE 274 Ca 0.27 -2.25 -0.06 0.00 1.00 0.00 0.00 64.86 63.82 2big h ILE 274 Cb 0.21 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 2big h ILE 274 CO -0.20 0.65 -0.01 1.88 0.00 0.00 0.00 178.15 180.46 2big h TYR 275 N -0.21 0.70 -0.54 1.37 -1.99 -0.90 -1.50 116.97 113.89 2big h TYR 275 Ca -0.10 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.50 2big h TYR 275 Cb 1.43 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.94 2big h TYR 275 CO 0.17 0.67 0.16 -0.44 -0.00 0.00 0.00 178.16 178.71 2big h ASP 276 N 0.62 0.75 -0.54 3.88 3.32 -0.72 0.68 116.42 124.41 2big h ASP 276 Ca 0.13 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2big h ASP 276 Cb 0.41 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2big h ASP 276 CO 0.02 0.72 0.26 0.74 -1.72 0.00 0.00 179.24 179.26 2big h THR 277 N 0.78 1.20 -0.19 0.35 2.02 -1.04 -0.11 112.91 115.92 2big h THR 277 Ca 0.18 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2big h THR 277 Cb 0.25 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2big h THR 277 CO -0.01 0.23 0.10 0.40 0.37 0.00 0.00 175.52 176.61 2big h ILE 278 N 0.73 1.12 0.00 3.11 2.04 -0.90 -2.86 117.51 120.74 2big h ILE 278 Ca 0.19 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2big h ILE 278 Cb 0.12 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2big h ILE 278 CO -0.02 0.11 -0.19 0.44 0.00 0.00 0.00 178.15 178.49 2big h ASP 279 N 0.20 0.00 -0.05 1.72 3.32 -0.53 -2.25 116.42 118.84 2big h ASP 279 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2big h ASP 279 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2big h ASP 279 CO -0.01 0.19 0.00 -0.62 -1.72 0.00 0.00 179.24 177.08 2big n GLU 280 N -3.37 1.75 -0.05 3.56 -0.58 -0.08 -4.33 120.64 117.54 2big n GLU 280 Ca 0.00 -1.09 0.11 0.00 -0.42 0.00 0.00 57.16 55.76 2big n GLU 280 Cb 0.41 -1.47 0.46 0.00 -0.57 0.00 0.00 31.44 30.27 2big n GLU 280 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2big n SER 281 N 0.32 1.08 -4.09 1.62 3.41 -0.85 -4.92 113.62 110.19 2big n SER 281 Ca 0.18 -1.58 -0.31 0.00 -0.26 0.00 0.00 58.87 56.90 2big n SER 281 Cb 0.38 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 2big n SER 281 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2big n ASN 282 N -0.08 -2.26 0.00 4.04 5.15 -1.26 -1.42 115.26 119.43 2big n ASN 282 Ca 0.16 -0.99 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 2big n ASN 282 Cb 0.24 -2.96 0.00 0.00 -0.53 0.00 0.00 39.78 36.53 2big n ASN 282 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2big n GLY 283 N -1.67 0.99 0.27 8.20 0.00 -1.26 -4.90 105.19 106.81 2big n GLY 283 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.74 -3.59 1.61 3.57 -1.57 -3.40 116.94 114.30 2big h PHE 284 Ca 0.00 -0.13 -0.67 0.00 3.53 0.00 0.00 57.97 60.70 2big h PHE 284 Cb 0.00 -0.19 -0.24 0.00 2.79 0.00 0.00 35.95 38.31 2big h PHE 284 CO 0.00 0.77 -0.75 0.71 -2.23 0.00 0.00 178.31 176.82 2big s TYR 285 N -4.75 2.82 -0.15 0.41 1.51 -1.26 -3.79 117.35 112.14 2big s TYR 285 Ca -0.09 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 2big s TYR 285 Cb 0.14 -1.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 2big s TYR 285 CO 0.81 0.01 -0.14 0.08 -1.11 0.00 0.00 175.55 175.21 2big s VAL 286 N -0.16 1.55 0.38 0.71 1.01 0.47 -4.82 120.40 119.54 2big s VAL 286 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 2big s VAL 286 Cb -0.13 -1.47 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 2big s VAL 286 CO 0.03 0.43 1.11 -0.83 0.00 0.00 0.00 175.10 175.85 2big s GLY 287 N 1.49 2.84 0.09 4.51 0.00 -1.26 -1.19 107.32 113.81 2big s GLY 287 Ca 0.05 0.85 -0.14 0.00 0.00 0.00 0.00 44.72 45.47 2big s GLY 287 CO -0.10 1.34 1.34 0.84 0.00 0.00 0.00 173.10 176.52 2big h HIS 288 N 2.73 0.94 -3.91 1.90 2.76 -1.58 -3.46 115.15 114.53 2big h HIS 288 Ca -0.48 -0.36 -0.48 0.00 -2.20 0.00 0.00 60.37 56.84 2big h HIS 288 Cb 1.22 -0.17 0.01 0.00 1.55 0.00 0.00 27.41 30.03 2big h HIS 288 CO 0.57 1.16 0.40 0.00 -1.30 0.00 0.00 177.93 178.76 2big s ALA 289 N -3.98 3.17 0.57 5.26 0.00 -1.26 -4.73 121.76 120.80 2big s ALA 289 Ca -0.12 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.32 2big s ALA 289 Cb 0.08 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 2big s ALA 289 CO 0.86 -0.10 1.36 -1.21 0.00 0.00 0.00 175.76 176.67 2big s GLU 290 N -2.19 2.99 0.24 0.00 2.02 0.32 -4.85 118.70 117.23 2big s GLU 290 Ca 0.53 2.22 -0.05 0.00 0.02 0.00 0.00 54.97 57.70 2big s GLU 290 Cb -0.23 -2.17 0.37 0.00 0.10 0.00 0.00 34.13 32.21 2big s GLU 290 CO 0.29 -1.31 1.83 0.87 0.02 0.00 0.00 175.26 176.96 2big h LYS 291 N 1.24 0.86 0.00 1.61 1.57 -1.96 -0.91 116.57 118.98 2big h LYS 291 Ca -0.51 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2big h LYS 291 Cb 1.31 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2big h LYS 291 CO 0.56 0.57 0.00 0.41 -0.57 0.00 0.00 179.45 180.42 2big n GLY 292 N -1.32 -0.96 0.04 3.86 0.00 -1.26 -2.54 105.19 103.01 2big n GLY 292 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.69 1.90 -4.71 1.61 7.64 -0.38 -4.87 113.62 113.11 2big n SER 293 Ca 0.02 -1.84 -0.42 0.00 1.01 0.00 0.00 58.87 57.65 2big n SER 293 Cb 0.14 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 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 -0.35 2.80 -2.27 1.43 1.74 -1.03 -1.16 116.66 117.82 2big n ARG 294 Ca 0.01 1.01 -0.39 0.00 -0.77 0.00 0.00 57.85 57.71 2big n ARG 294 Cb 0.22 -2.88 -0.02 0.00 -1.02 0.00 0.00 32.46 28.77 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 1.68 6.54 0.00 0.55 0.15 -0.60 -4.58 113.70 117.45 2big s SER 295 Ca 0.77 2.39 0.28 0.00 0.70 0.00 0.00 55.95 60.09 2big s SER 295 Cb -0.49 -2.62 1.01 0.00 -1.71 0.00 0.00 66.02 62.21 2big s SER 295 CO 0.34 -0.66 1.73 0.18 1.20 0.00 0.00 173.24 176.03 2big n LEU 296 N 0.16 0.49 -0.06 3.45 4.77 -1.26 -4.37 117.00 120.19 2big n LEU 296 Ca 0.04 0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.99 2big n LEU 296 Cb 0.46 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 2big n LEU 296 CO 0.52 0.10 -0.88 0.23 -1.33 0.00 0.00 177.39 176.02 2big n MET 297 N -1.10 1.36 -3.76 3.23 2.81 -1.26 -4.76 117.12 113.65 2big n MET 297 Ca 0.11 0.03 -0.25 0.00 -1.81 0.00 0.00 57.70 55.78 2big n MET 297 Cb 0.31 -1.26 -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 -4.75 2.19 -0.36 7.83 -0.87 -1.26 -0.36 114.94 117.35 2big s ASN 298 Ca -0.11 -0.42 -0.12 0.00 -1.57 0.00 0.00 52.86 50.64 2big s ASN 298 Cb 0.04 -0.52 0.01 0.00 -0.02 0.00 0.00 41.25 40.75 2big s ASN 298 CO 0.37 -0.24 0.22 -0.69 -2.57 0.00 0.00 177.10 174.18 2big s VAL 299 N 1.91 4.84 -0.13 1.60 1.01 -0.04 -4.31 120.40 125.28 2big s VAL 299 Ca 0.02 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2big s VAL 299 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2big s VAL 299 CO -0.07 -0.14 0.05 0.42 0.00 0.00 0.00 175.10 175.36 2big s THR 300 N 1.62 4.68 0.18 3.92 -4.23 -1.26 -0.80 115.64 119.74 2big s THR 300 Ca 0.04 -0.09 -0.23 0.00 -1.18 0.00 0.00 61.69 60.23 2big s THR 300 Cb -0.18 -3.04 0.06 0.00 1.34 0.00 0.00 72.50 70.68 2big s THR 300 CO 0.08 0.55 0.65 0.72 -0.54 0.00 0.00 174.62 176.08 2big s PHE 301 N -0.39 -0.44 0.12 3.99 -0.12 -0.66 -1.43 117.98 119.05 2big s PHE 301 Ca 0.09 0.18 0.05 0.00 -0.05 0.00 0.00 56.93 57.20 2big s PHE 301 Cb -0.12 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 2big s PHE 301 CO 0.02 -0.92 -0.13 -0.80 -0.05 0.00 0.00 175.22 173.34 2big s ASN 302 N -2.78 1.83 0.65 1.98 0.01 -0.33 -0.46 114.94 115.84 2big s ASN 302 Ca 0.04 -0.82 -0.02 0.00 -0.71 0.00 0.00 52.86 51.36 2big s ASN 302 Cb -0.02 -0.04 0.05 0.00 0.41 0.00 0.00 41.25 41.65 2big s ASN 302 CO -0.08 -0.18 0.33 0.18 -1.51 0.00 0.00 177.10 175.84 2big n LEU 303 N 0.52 0.00 0.25 0.60 4.32 -1.26 -0.40 117.00 121.03 2big n LEU 303 Ca -0.15 -0.58 0.15 0.00 -0.02 0.00 0.00 56.01 55.41 2big n LEU 303 Cb 0.57 -0.23 0.45 0.00 -1.62 0.00 0.00 43.42 42.59 2big n LEU 303 CO 0.27 -0.69 0.90 0.03 -1.22 0.00 0.00 177.39 176.68 2big h ARG 304 N 0.00 0.00 -3.52 3.23 3.08 -1.85 -3.46 114.38 111.86 2big h ARG 304 Ca -0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 2big h ARG 304 Cb 0.37 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 2big h ARG 304 CO 0.10 0.01 0.01 0.54 -1.07 0.00 0.00 179.97 179.56 2big s ASN 305 N -5.94 0.16 0.20 7.04 2.20 -1.26 -5.06 114.94 112.29 2big s ASN 305 Ca 0.04 -1.07 0.09 0.00 -0.94 0.00 0.00 52.86 50.97 2big s ASN 305 Cb 0.07 0.69 0.10 0.00 -2.00 0.00 0.00 41.25 40.11 2big s ASN 305 CO 0.60 -1.34 1.46 -0.08 -2.94 0.00 0.00 177.10 174.80 2big h GLU 306 N 2.12 0.00 -0.31 3.55 4.57 -1.99 -1.68 114.58 120.84 2big h GLU 306 Ca -0.27 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.93 2big h GLU 306 Cb 1.25 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 2big h GLU 306 CO 0.36 0.79 0.15 1.49 -1.18 0.00 0.00 179.01 180.61 2big h GLU 307 N 0.00 0.30 -0.63 1.92 4.81 -1.99 -0.22 114.58 118.77 2big h GLU 307 Ca -0.01 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2big h GLU 307 Cb 1.40 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 2big h GLU 307 CO 0.10 0.20 0.07 -0.07 -0.73 0.00 0.00 179.01 178.59 2big h LEU 308 N 0.31 1.01 -0.31 1.64 3.38 -1.94 0.27 115.31 119.67 2big h LEU 308 Ca 0.13 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2big h LEU 308 Cb 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2big h LEU 308 CO -0.09 1.02 0.04 0.78 0.09 0.00 0.00 178.44 180.28 2big h ASN 309 N 0.97 -0.03 -0.55 -0.43 2.35 -0.87 0.88 115.58 117.91 2big h ASN 309 Ca 0.19 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2big h ASN 309 Cb 0.46 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 2big h ASN 309 CO 0.02 0.02 0.34 1.56 -1.65 0.00 0.00 177.43 177.72 2big h GLN 310 N 0.15 0.73 -0.53 0.81 4.20 -0.70 -1.34 115.11 118.44 2big h GLN 310 Ca 0.15 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 2big h GLN 310 Cb 0.17 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2big h GLN 310 CO -0.21 0.52 0.03 1.96 -0.67 0.00 0.00 178.83 180.46 2big h GLN 311 N 0.74 0.91 -0.09 1.46 4.20 -0.59 -0.23 115.11 121.50 2big h GLN 311 Ca 0.20 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2big h GLN 311 Cb -0.04 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2big h GLN 311 CO -0.04 0.91 0.06 0.35 -0.67 0.00 0.00 178.83 179.44 2big h PHE 312 N 0.78 0.12 -0.50 2.96 3.57 -0.64 -0.71 116.94 122.52 2big h PHE 312 Ca 0.15 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 2big h PHE 312 Cb 0.48 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2big h PHE 312 CO 0.04 0.10 0.08 -0.07 -2.23 0.00 0.00 178.31 176.23 2big h LEU 313 N 0.10 0.72 -0.50 0.59 3.38 -1.12 0.97 115.31 119.46 2big h LEU 313 Ca 0.03 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2big h LEU 313 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2big h LEU 313 CO -0.01 0.74 -0.05 0.00 0.09 0.00 0.00 178.44 179.22 2big h ALA 314 N 1.35 0.68 -0.51 1.53 0.00 -0.82 -1.31 119.26 120.18 2big h ALA 314 Ca 0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2big h ALA 314 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2big h ALA 314 CO 0.00 0.53 0.16 -0.22 0.00 0.00 0.00 179.25 179.72 2big h LYS 315 N 0.77 0.80 -0.66 0.00 1.63 -0.69 -1.79 116.57 116.62 2big h LYS 315 Ca 0.14 -0.17 0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2big h LYS 315 Cb 0.58 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 32.05 2big h LYS 315 CO 0.03 0.74 0.39 0.00 -3.45 0.00 0.00 179.45 177.17 2big h ALA 316 N 1.02 0.87 -0.51 5.00 0.00 -0.62 -1.57 119.26 123.45 2big h ALA 316 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2big h ALA 316 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2big h ALA 316 CO -0.01 0.12 0.05 -0.22 0.00 0.00 0.00 179.25 179.19 2big h LYS 317 N 0.76 0.87 -0.81 0.00 3.64 -1.05 -0.78 116.57 119.20 2big h LYS 317 Ca 0.28 -0.25 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2big h LYS 317 Cb 0.09 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 2big h LYS 317 CO -0.14 0.88 0.53 1.49 -2.27 0.00 0.00 179.45 179.94 2big h GLU 318 N 0.74 0.84 -0.13 1.90 4.81 -0.87 -2.16 114.58 119.71 2big h GLU 318 Ca 0.15 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2big h GLU 318 Cb 0.45 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2big h GLU 318 CO 0.02 0.56 0.00 1.04 -0.73 0.00 0.00 179.01 179.89 2big n GLN 319 N -4.49 1.55 -0.05 1.92 1.13 -0.63 -4.91 117.38 111.91 2big n GLN 319 Ca 0.12 -0.83 0.00 0.00 -1.94 0.00 0.00 57.00 54.35 2big n GLN 319 Cb 0.23 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.21 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 1.04 0.60 3.73 1.08 0.00 -0.81 -4.83 105.19 106.00 2big n GLY 320 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.08 3.79 -0.12 1.61 0.40 -0.35 -1.25 117.98 119.99 2big s PHE 321 Ca 0.00 1.74 0.02 0.00 -0.60 0.00 0.00 56.93 58.09 2big s PHE 321 Cb 0.00 -3.02 -0.01 0.00 0.51 0.00 0.00 43.02 40.51 2big s PHE 321 CO 0.00 0.20 -0.19 0.08 0.70 0.00 0.00 175.22 176.01 2big s VAL 322 N 0.06 2.48 0.00 -0.44 1.01 -0.16 -4.07 120.40 119.28 2big s VAL 322 Ca 0.46 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2big s VAL 322 Cb -0.23 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.16 2big s VAL 322 CO 0.28 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.54 2big n GLY 323 N 3.56 0.76 0.04 4.51 0.00 -1.26 -0.76 105.19 112.03 2big n GLY 323 Ca -0.19 0.00 0.13 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 0.27 -4.75 0.99 4.77 -1.26 -4.59 117.00 112.43 2big n LEU 324 Ca 0.00 0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 56.10 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 -0.09 1.20 0.20 -1.33 0.00 0.00 177.39 177.36 2big s ASN 325 N -3.51 6.47 1.02 -1.43 0.01 -1.26 -0.71 114.94 115.52 2big s ASN 325 Ca 0.12 2.86 -0.12 0.00 -0.71 0.00 0.00 52.86 55.01 2big s ASN 325 Cb 0.16 -2.63 0.20 0.00 0.41 0.00 0.00 41.25 39.39 2big s ASN 325 CO 0.53 -0.84 1.08 -0.83 -1.51 0.00 0.00 177.10 175.53 2big s GLY 326 N 0.43 1.61 0.42 0.66 0.00 0.10 -4.44 107.32 106.10 2big s GLY 326 Ca 0.62 0.11 -0.25 0.00 0.00 0.00 0.00 44.72 45.20 2big s GLY 326 CO 0.47 0.68 1.20 1.57 0.00 0.00 0.00 173.10 177.02 2big n HIS 327 N -4.45 1.87 -0.29 1.90 -0.00 -1.26 -4.58 115.22 108.42 2big n HIS 327 Ca 0.07 0.52 0.22 0.00 0.46 0.00 0.00 57.72 58.98 2big n HIS 327 Cb 0.54 -2.33 0.52 0.00 -0.12 0.00 0.00 29.99 28.60 2big n HIS 327 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2big h ARG 328 N 1.91 0.37 0.00 1.57 1.12 -1.92 0.55 114.38 117.98 2big h ARG 328 Ca -0.47 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 2big h ARG 328 Cb 1.31 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.18 2big h ARG 328 CO 0.59 0.24 0.00 0.66 -3.11 0.00 0.00 179.97 178.35 2big h SER 329 N 0.38 0.00 0.00 -3.80 4.64 -2.01 -3.35 113.55 109.41 2big h SER 329 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2big h SER 329 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2big h SER 329 CO -0.22 0.00 -0.27 1.33 -0.87 0.00 0.00 176.83 176.80 2big n VAL 330 N -3.08 0.00 -4.34 0.95 0.24 -0.33 -5.14 118.33 106.62 2big n VAL 330 Ca 0.01 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2big n VAL 330 Cb 0.30 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 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 0.94 -0.90 7.00 7.63 0.00 0.04 -4.97 105.19 114.93 2big n GLY 331 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 0.87 3.24 -0.02 0.00 -1.26 -4.08 105.19 103.93 2big n GLY 332 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.97 0.20 -0.45 0.00 3.52 0.11 -1.65 118.95 118.71 2big s ARG 334 Ca 0.04 0.51 -0.17 0.00 -0.13 0.00 0.00 55.73 55.97 2big s ARG 334 Cb -0.09 -0.56 0.04 0.00 -1.56 0.00 0.00 34.95 32.78 2big s ARG 334 CO 0.03 -0.48 0.47 0.00 -0.81 0.00 0.00 175.30 174.51 2big s ALA 335 N 2.40 3.45 -0.22 6.12 0.00 0.02 -4.21 121.76 129.32 2big s ALA 335 Ca 0.05 -1.70 -0.22 0.00 0.00 0.00 0.00 51.96 50.09 2big s ALA 335 Cb -0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2big s ALA 335 CO -0.11 -1.71 0.68 -1.12 0.00 0.00 0.00 175.76 173.50 2big s SER 336 N 2.17 6.71 -0.40 0.00 0.01 -1.23 -0.86 113.70 120.10 2big s SER 336 Ca 0.11 0.87 0.10 0.00 1.31 0.00 0.00 55.95 58.34 2big s SER 336 Cb -0.19 -2.37 0.43 0.00 0.21 0.00 0.00 66.02 64.10 2big s SER 336 CO 0.12 -0.35 1.02 2.30 0.41 0.00 0.00 173.24 176.74 2big n ILE 337 N 4.91 1.78 -0.40 1.44 -5.35 0.51 -4.58 119.36 117.67 2big n ILE 337 Ca 0.00 -4.26 -0.29 0.00 -0.27 0.00 0.00 62.75 57.93 2big n ILE 337 Cb 0.49 -0.50 0.28 0.00 -1.74 0.00 0.00 39.64 38.16 2big n ILE 337 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2big s TYR 338 N -3.32 0.55 0.28 4.28 4.12 -1.25 -4.67 117.35 117.33 2big s TYR 338 Ca 0.40 0.96 -0.02 0.00 0.02 0.00 0.00 57.07 58.43 2big s TYR 338 Cb 0.41 -2.98 0.62 0.00 -1.52 0.00 0.00 41.96 38.49 2big s TYR 338 CO -0.10 -4.45 1.60 -0.91 0.02 0.00 0.00 175.55 171.72 2big h ASN 339 N -3.04 -0.42 0.39 2.29 2.35 -1.87 -1.18 115.58 114.11 2big h ASN 339 Ca -0.57 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2big h ASN 339 Cb 1.34 0.43 0.00 0.00 0.05 0.00 0.00 38.32 40.14 2big h ASN 339 CO 0.43 -0.27 -0.13 0.00 -1.65 0.00 0.00 177.43 175.81 2big n ALA 340 N -3.06 2.78 -2.03 -0.83 0.00 -1.26 -4.80 120.51 111.31 2big n ALA 340 Ca 0.19 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 2big n ALA 340 Cb 0.63 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.52 3.35 0.55 0.00 1.01 -0.45 -4.72 120.40 117.62 2big s VAL 341 Ca 0.27 0.71 -0.18 0.00 0.00 0.00 0.00 61.98 62.78 2big s VAL 341 Cb 0.20 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 2big s VAL 341 CO 0.49 -0.02 1.07 -2.16 0.00 0.00 0.00 175.10 174.48 2big s PRO 342 N 2.91 3.46 0.42 2.72 0.04 -1.26 -4.92 135.00 138.37 2big s PRO 342 Ca 0.71 1.37 0.08 0.00 0.04 0.00 0.00 61.00 63.20 2big s PRO 342 Cb -0.36 -2.04 0.89 0.00 0.04 0.00 0.00 34.50 33.03 2big s PRO 342 CO 0.30 -0.71 2.04 0.97 0.04 0.00 0.00 177.00 179.64 2big h ILE 343 N 0.99 1.10 0.00 0.56 2.10 -1.96 -1.27 117.51 119.04 2big h ILE 343 Ca -0.49 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.18 2big h ILE 343 Cb 1.23 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 2big h ILE 343 CO 0.58 0.11 0.00 -2.24 -1.08 0.00 0.00 178.15 175.52 2big h ASP 344 N 0.43 0.00 0.07 2.19 2.03 -1.99 -0.56 116.42 118.59 2big h ASP 344 Ca 0.11 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.28 2big h ASP 344 Cb 0.02 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.51 2big h ASP 344 CO -0.02 0.00 -0.44 0.00 -1.03 0.00 0.00 179.24 177.75 2big h ALA 345 N 2.05 0.89 -0.37 4.15 0.00 -1.60 -0.99 119.26 123.39 2big h ALA 345 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 2big h ALA 345 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2big h ALA 345 CO 0.00 0.64 -0.35 0.00 0.00 0.00 0.00 179.25 179.54 2big h ILE 347 N 0.71 1.13 -0.58 0.00 2.04 -1.09 -0.86 117.51 118.85 2big h ILE 347 Ca 0.06 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2big h ILE 347 Cb 0.94 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2big h ILE 347 CO 0.09 0.15 0.24 0.00 0.00 0.00 0.00 178.15 178.62 2big h ALA 348 N 1.25 0.76 -0.47 1.87 0.00 -0.96 -1.09 119.26 120.62 2big h ALA 348 Ca 0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2big h ALA 348 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2big h ALA 348 CO -0.07 0.37 0.29 1.25 0.00 0.00 0.00 179.25 181.09 2big h LEU 349 N 0.80 0.56 -0.41 0.00 5.85 -0.79 -0.33 115.31 121.00 2big h LEU 349 Ca 0.19 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2big h LEU 349 Cb 0.20 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2big h LEU 349 CO -0.02 0.44 0.08 -0.09 -0.34 0.00 0.00 178.44 178.51 2big h ARG 350 N 0.63 0.20 -0.68 1.25 2.43 -0.81 0.31 114.38 117.72 2big h ARG 350 Ca 0.17 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2big h ARG 350 Cb -0.03 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2big h ARG 350 CO -0.03 0.13 0.23 0.93 -1.51 0.00 0.00 179.97 179.72 2big h GLU 351 N 0.21 1.05 -0.32 0.20 4.39 -0.71 0.06 114.58 119.47 2big h GLU 351 Ca 0.20 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.70 2big h GLU 351 Cb 0.24 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2big h GLU 351 CO -0.26 0.90 0.16 1.25 -1.16 0.00 0.00 179.01 179.90 2big h LEU 352 N 0.99 0.24 -0.56 1.33 5.85 -0.69 -1.31 115.31 121.16 2big h LEU 352 Ca 0.22 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2big h LEU 352 Cb 0.28 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2big h LEU 352 CO -0.01 0.18 0.21 0.24 -0.34 0.00 0.00 178.44 178.72 2big h MET 353 N 0.33 0.84 -0.32 1.25 2.86 -0.44 0.12 114.93 119.58 2big h MET 353 Ca 0.13 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2big h MET 353 Cb 0.04 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2big h MET 353 CO -0.09 0.74 -0.02 0.82 1.06 0.00 0.00 176.91 179.41 2big h ILE 354 N 0.77 1.26 -0.58 -1.22 2.04 -0.85 -2.27 117.51 116.66 2big h ILE 354 Ca 0.18 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.95 2big h ILE 354 Cb 0.22 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2big h ILE 354 CO -0.01 0.33 0.02 -0.61 0.00 0.00 0.00 178.15 177.87 2big h GLN 355 N 0.37 1.01 -0.53 2.37 4.15 -1.06 -0.93 115.11 120.49 2big h GLN 355 Ca 0.09 -0.31 -0.04 0.00 0.77 0.00 0.00 58.65 59.16 2big h GLN 355 Cb 0.48 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2big h GLN 355 CO 0.02 1.00 0.19 0.35 -1.93 0.00 0.00 178.83 178.46 2big h PHE 356 N 0.91 0.82 -0.06 3.99 3.57 -0.93 -1.01 116.94 124.24 2big h PHE 356 Ca 0.17 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2big h PHE 356 Cb 0.53 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2big h PHE 356 CO 0.04 0.69 -0.03 -0.22 -2.23 0.00 0.00 178.31 176.56 2big h LYS 357 N 0.72 -0.02 -0.07 1.11 3.64 -1.20 -1.91 116.57 118.84 2big h LYS 357 Ca 0.17 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2big h LYS 357 Cb 0.23 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2big h LYS 357 CO -0.01 -0.01 -0.13 0.93 -2.27 0.00 0.00 179.45 177.95 2big h GLU 358 N -0.02 0.10 -0.01 1.90 5.08 -0.82 -2.78 114.58 118.03 2big h GLU 358 Ca 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2big h GLU 358 Cb 0.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2big h GLU 358 CO -0.07 0.24 -0.48 0.09 -1.00 0.00 0.00 179.01 177.79 2big n ASN 359 N -4.33 1.31 0.00 1.42 3.02 -0.41 -5.10 115.26 111.18 2big n ASN 359 Ca -0.02 -1.05 0.08 0.00 -0.03 0.00 0.00 54.58 53.57 2big n ASN 359 Cb 0.23 0.41 0.50 0.00 -0.61 0.00 0.00 39.78 40.31 2big n ASN 359 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64