#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hot s PRO 6 N 0.00 -1.11 0.23 5.55 0.04 -1.26 -5.11 135.00 133.34 3hot s PRO 6 Ca 0.00 -0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.02 3hot s PRO 6 Cb 0.00 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.92 3hot s PRO 6 CO 0.00 -3.64 0.07 0.27 0.04 0.00 0.00 177.00 173.74 3hot n ASN 7 N -4.71 1.23 0.00 6.66 2.04 -1.26 -5.05 115.26 114.17 3hot n ASN 7 Ca 0.13 -2.19 0.12 0.00 -0.44 0.00 0.00 54.58 52.20 3hot n ASN 7 Cb 0.59 0.54 0.73 0.00 -2.53 0.00 0.00 39.78 39.11 3hot n ASN 7 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3hot n LYS 8 N -0.52 0.79 -0.06 -3.83 4.01 -1.26 -2.24 118.16 115.05 3hot n LYS 8 Ca -0.04 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.65 3hot n LYS 8 Cb 0.34 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.32 3hot n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3hot n GLU 9 N -0.99 0.25 0.28 1.97 2.13 -1.26 -3.79 120.64 119.24 3hot n GLU 9 Ca 0.18 0.09 0.16 0.00 0.66 0.00 0.00 57.16 58.26 3hot n GLU 9 Cb 0.08 -1.01 0.77 0.00 0.27 0.00 0.00 31.44 31.56 3hot n GLU 9 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3hot h GLN 10 N -0.29 0.00 -0.02 5.31 4.20 -1.98 -0.33 115.11 122.00 3hot h GLN 10 Ca -0.28 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.19 3hot h GLN 10 Cb 1.30 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.09 3hot h GLN 10 CO -0.13 0.00 -0.93 1.15 -0.67 0.00 0.00 178.83 178.24 3hot h THR 11 N 0.00 1.30 -0.09 -0.54 2.02 -1.60 -2.53 112.91 111.47 3hot h THR 11 Ca 0.04 -2.17 -0.13 0.00 0.77 0.00 0.00 66.41 64.92 3hot h THR 11 Cb 0.81 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3hot h THR 11 CO -0.00 0.67 -0.54 -0.09 0.37 0.00 0.00 175.52 175.93 3hot h ARG 12 N 0.34 0.26 -0.59 6.66 2.43 -1.25 -2.68 114.38 119.55 3hot h ARG 12 Ca -0.11 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 3hot h ARG 12 Cb 1.59 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.13 3hot h ARG 12 CO 0.19 0.73 0.27 1.15 -1.51 0.00 0.00 179.97 180.80 3hot h THR 13 N 0.20 1.20 0.03 0.20 2.02 -1.12 0.66 112.91 116.10 3hot h THR 13 Ca 0.00 -0.57 -0.23 0.00 0.77 0.00 0.00 66.41 66.39 3hot h THR 13 Cb 1.01 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3hot h THR 13 CO 0.08 0.23 -0.99 0.58 0.37 0.00 0.00 175.52 175.80 3hot h VAL 14 N 0.83 1.47 0.00 3.16 2.07 -1.36 -2.76 116.25 119.67 3hot h VAL 14 Ca 0.20 -2.70 -0.10 0.00 0.82 0.00 0.00 66.70 64.92 3hot h VAL 14 Cb 0.10 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3hot h VAL 14 CO -0.03 0.79 -0.47 -0.07 0.02 0.00 0.00 177.57 177.82 3hot h LEU 15 N 0.14 0.00 -0.56 2.57 4.07 -1.23 0.24 115.31 120.53 3hot h LEU 15 Ca -0.08 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.76 3hot h LEU 15 Cb 1.65 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.38 3hot h LEU 15 CO 0.16 0.47 -0.15 -0.29 -1.08 0.00 0.00 178.44 177.55 3hot h ILE 16 N 0.00 1.27 0.49 1.22 2.10 -0.87 -1.83 117.51 119.89 3hot h ILE 16 Ca -0.00 -1.31 -0.02 0.00 1.08 0.00 0.00 64.86 64.61 3hot h ILE 16 Cb 1.13 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 3hot h ILE 16 CO 0.06 0.46 -0.24 0.15 -1.08 0.00 0.00 178.15 177.50 3hot h PHE 17 N 0.88 -0.62 -0.13 2.19 3.57 -1.17 -2.96 116.94 118.70 3hot h PHE 17 Ca 0.13 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3hot h PHE 17 Cb 0.72 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3hot h PHE 17 CO 0.05 -0.38 0.34 0.00 -2.23 0.00 0.00 178.31 176.08 3hot h PHE 19 N 0.00 -0.67 0.00 0.00 3.57 -1.26 -2.66 116.94 115.91 3hot h PHE 19 Ca 0.06 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3hot h PHE 19 Cb 0.73 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 3hot h PHE 19 CO 0.00 -0.35 -0.03 0.45 -2.23 0.00 0.00 178.31 176.16 3hot h HIS 20 N -1.04 0.00 0.00 0.41 3.86 -0.62 0.20 115.15 117.96 3hot h HIS 20 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3hot h HIS 20 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 3hot h HIS 20 CO 0.01 0.03 0.00 1.28 0.86 0.00 0.00 177.93 180.10 3hot n LEU 21 N -3.95 0.36 -1.39 2.43 4.77 -0.95 -4.86 117.00 113.41 3hot n LEU 21 Ca -0.03 -0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 55.59 3hot n LEU 21 Cb 0.11 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3hot n LEU 21 CO 0.29 0.09 -0.17 0.29 -1.33 0.00 0.00 177.39 176.56 3hot n LYS 22 N -0.28 -1.51 -2.61 3.23 4.76 0.69 -4.96 118.16 117.48 3hot n LYS 22 Ca 0.00 1.14 -0.36 0.00 -2.87 0.00 0.00 58.31 56.21 3hot n LYS 22 Cb 0.09 -5.53 -0.05 0.00 -1.84 0.00 0.00 35.03 27.70 3hot n LYS 22 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hot s LYS 23 N -3.53 4.26 0.93 1.97 -0.14 -1.01 -5.06 119.74 117.16 3hot s LYS 23 Ca 0.00 1.44 -0.15 0.00 -1.36 0.00 0.00 55.97 55.91 3hot s LYS 23 Cb 0.00 -2.57 0.16 0.00 -1.68 0.00 0.00 37.83 33.74 3hot s LYS 23 CO 0.00 -0.04 1.24 0.95 -0.76 0.00 0.00 175.35 176.73 3hot s THR 24 N -1.69 1.97 0.02 2.17 -4.23 -1.26 -4.62 115.64 107.99 3hot s THR 24 Ca 0.56 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.99 3hot s THR 24 Cb -0.20 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.67 3hot s THR 24 CO 0.26 0.00 1.13 0.00 -0.54 0.00 0.00 174.62 175.47 3hot h ALA 25 N -1.52 -1.00 0.00 3.99 0.00 -1.96 -2.47 119.26 116.29 3hot h ALA 25 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hot h ALA 25 Cb 1.28 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3hot h ALA 25 CO 0.49 -0.99 0.08 0.00 0.00 0.00 0.00 179.25 178.84 3hot h ALA 26 N -1.74 1.06 -0.07 0.00 0.00 -1.95 0.41 119.26 116.97 3hot h ALA 26 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 3hot h ALA 26 Cb 0.23 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hot h ALA 26 CO 0.03 -0.06 -0.88 1.49 0.00 0.00 0.00 179.25 179.83 3hot h GLU 27 N 0.00 0.71 0.00 0.00 4.81 -1.87 -3.23 114.58 115.00 3hot h GLU 27 Ca 0.00 -0.68 -0.05 0.00 -0.13 0.00 0.00 59.36 58.50 3hot h GLU 27 Cb 0.16 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3hot h GLU 27 CO 0.00 1.27 -0.22 0.77 -0.73 0.00 0.00 179.01 180.10 3hot h SER 28 N 0.40 0.00 -0.47 1.04 0.02 -0.46 -3.03 113.55 111.06 3hot h SER 28 Ca -0.09 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 3hot h SER 28 Cb 1.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 3hot h SER 28 CO 0.18 0.22 -0.20 -0.74 -1.14 0.00 0.00 176.83 175.14 3hot h HIS 29 N 0.00 1.10 -0.58 3.45 -0.00 -1.55 0.34 115.15 117.91 3hot h HIS 29 Ca -0.00 -0.27 0.09 0.00 -0.00 0.00 0.00 60.37 60.19 3hot h HIS 29 Cb 1.06 -0.26 -0.07 0.00 -0.00 0.00 0.00 27.41 28.14 3hot h HIS 29 CO 0.00 1.08 0.19 0.00 -0.00 0.00 0.00 177.93 179.20 3hot h ARG 30 N 0.81 0.35 -0.35 5.26 3.08 -1.55 0.12 114.38 122.10 3hot h ARG 30 Ca 0.11 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 3hot h ARG 30 Cb 0.78 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3hot h ARG 30 CO 0.06 0.23 -0.02 0.52 -1.07 0.00 0.00 179.97 179.70 3hot h MET 31 N 0.36 0.63 -0.43 0.04 2.86 -1.54 -2.59 114.93 114.27 3hot h MET 31 Ca 0.29 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3hot h MET 31 Cb 0.37 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3hot h MET 31 CO -0.31 0.76 0.28 1.25 1.06 0.00 0.00 176.91 179.95 3hot h LEU 32 N 0.44 0.49 -0.01 1.22 5.85 -0.24 0.42 115.31 123.48 3hot h LEU 32 Ca 0.10 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hot h LEU 32 Cb 0.49 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3hot h LEU 32 CO 0.02 0.36 -0.01 0.58 -0.34 0.00 0.00 178.44 179.05 3hot h VAL 33 N 0.58 1.36 0.00 1.05 2.07 -0.60 -2.59 116.25 118.12 3hot h VAL 33 Ca 0.16 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3hot h VAL 33 Cb -0.07 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3hot h VAL 33 CO -0.03 0.28 -0.34 1.05 0.02 0.00 0.00 177.57 178.55 3hot h GLU 34 N -0.43 0.00 0.03 1.57 4.11 -1.02 0.12 114.58 118.97 3hot h GLU 34 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hot h GLU 34 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3hot h GLU 34 CO 0.00 0.34 -0.02 0.00 0.07 0.00 0.00 179.01 179.41 3hot h ALA 35 N 1.66 -0.04 -0.45 1.06 0.00 -1.02 -3.40 119.26 117.06 3hot h ALA 35 Ca -0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 54.91 54.24 3hot h ALA 35 Cb 0.85 0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.42 3hot h ALA 35 CO 0.04 -0.12 -0.53 1.19 0.00 0.00 0.00 179.25 179.83 3hot n PHE 36 N -4.74 1.62 -2.02 0.00 3.72 -0.98 -5.05 117.46 110.01 3hot n PHE 36 Ca -0.08 -1.94 0.10 0.00 -0.05 0.00 0.00 57.45 55.48 3hot n PHE 36 Cb 0.35 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 3hot n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hot n GLY 37 N -0.92 -1.21 3.50 1.37 0.00 0.42 -4.07 105.19 104.29 3hot n GLY 37 Ca 0.35 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 3hot n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hot s GLU 38 N -1.31 3.98 0.00 1.61 2.12 -1.26 -4.35 118.70 119.49 3hot s GLU 38 Ca 0.00 -2.26 0.00 0.00 0.36 0.00 0.00 54.97 53.07 3hot s GLU 38 Cb 0.00 -5.19 0.00 0.00 0.26 0.00 0.00 34.13 29.20 3hot s GLU 38 CO 0.00 -1.92 0.11 1.04 -0.54 0.00 0.00 175.26 173.95 3hot n GLN 39 N 6.65 0.00 -4.06 4.30 1.13 -1.26 -5.13 117.38 119.01 3hot n GLN 39 Ca 0.38 -0.11 -0.28 0.00 -1.94 0.00 0.00 57.00 55.05 3hot n GLN 39 Cb 0.45 -0.17 -0.01 0.00 0.11 0.00 0.00 30.24 30.62 3hot n GLN 39 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3hot s VAL 40 N 0.00 1.47 0.85 5.09 -7.23 -1.26 -5.03 120.40 114.28 3hot s VAL 40 Ca 0.00 -1.59 -0.10 0.00 -1.81 0.00 0.00 61.98 58.48 3hot s VAL 40 Cb 0.00 -2.05 0.10 0.00 0.56 0.00 0.00 36.38 34.99 3hot s VAL 40 CO 0.00 0.00 1.11 -2.16 -0.31 0.00 0.00 175.10 173.74 3hot s PRO 41 N -4.23 1.61 0.71 4.82 0.04 -1.26 -5.01 135.00 131.68 3hot s PRO 41 Ca 0.27 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 3hot s PRO 41 Cb -0.02 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.72 3hot s PRO 41 CO 0.17 -2.12 1.07 0.95 0.04 0.00 0.00 177.00 177.11 3hot s THR 42 N -2.80 3.78 0.29 1.26 -4.23 -1.26 -4.94 115.64 107.74 3hot s THR 42 Ca 0.64 0.58 0.03 0.00 -1.18 0.00 0.00 61.69 61.75 3hot s THR 42 Cb -0.19 -3.43 0.28 0.00 1.34 0.00 0.00 72.50 70.50 3hot s THR 42 CO 0.57 -0.76 1.69 1.62 -0.54 0.00 0.00 174.62 177.20 3hot h VAL 43 N -0.72 0.46 -0.96 2.29 3.04 -1.99 -2.25 116.25 116.12 3hot h VAL 43 Ca -0.45 -0.12 0.08 0.00 -1.01 0.00 0.00 66.70 65.20 3hot h VAL 43 Cb 1.23 0.06 -0.07 0.00 -2.01 0.00 0.00 31.29 30.50 3hot h VAL 43 CO 0.60 0.07 0.61 0.50 -1.01 0.00 0.00 177.57 178.34 3hot h LYS 44 N 0.36 1.02 -0.14 4.17 1.63 -2.00 0.20 116.57 121.82 3hot h LYS 44 Ca 0.54 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 60.19 3hot h LYS 44 Cb 1.03 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 3hot h LYS 44 CO -0.54 0.68 -0.32 1.15 -3.45 0.00 0.00 179.45 176.97 3hot h THR 45 N 1.05 1.27 -0.07 1.00 2.02 -1.78 -0.94 112.91 115.47 3hot h THR 45 Ca 0.44 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 3hot h THR 45 Cb 0.28 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3hot h THR 45 CO -0.21 0.40 0.03 0.00 0.37 0.00 0.00 175.52 176.10 3hot h GLU 47 N -0.06 -0.19 0.17 0.00 5.08 -1.01 0.29 114.58 118.86 3hot h GLU 47 Ca 0.02 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3hot h GLU 47 Cb 0.19 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3hot h GLU 47 CO -0.00 -0.13 -0.32 0.00 -1.00 0.00 0.00 179.01 177.56 3hot h ARG 48 N -0.20 -0.55 -0.67 2.33 3.08 -0.88 -1.50 114.38 115.99 3hot h ARG 48 Ca 0.13 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.35 3hot h ARG 48 Cb 0.40 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.45 3hot h ARG 48 CO -0.34 -0.37 -0.16 -1.49 -1.07 0.00 0.00 179.97 176.53 3hot h TRP 49 N -0.58 -0.35 -0.42 3.04 -0.00 -0.11 -2.55 115.95 114.98 3hot h TRP 49 Ca 0.02 0.06 0.06 0.00 -0.00 0.00 0.00 58.89 59.02 3hot h TRP 49 Cb 0.58 0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.98 3hot h TRP 49 CO -0.26 -0.29 0.29 0.74 -0.00 0.00 0.00 178.44 178.92 3hot h PHE 50 N 0.00 0.34 -0.27 0.49 -1.00 0.13 0.90 116.94 117.54 3hot h PHE 50 Ca 0.32 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 61.05 3hot h PHE 50 Cb 0.49 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 3hot h PHE 50 CO -0.54 0.19 -0.07 1.96 -1.61 0.00 0.00 178.31 178.23 3hot h GLN 51 N 0.34 0.52 -0.34 1.51 4.20 -1.21 -0.94 115.11 119.19 3hot h GLN 51 Ca 0.18 -0.20 0.07 0.00 0.06 0.00 0.00 58.65 58.76 3hot h GLN 51 Cb 0.30 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 3hot h GLN 51 CO -0.04 0.74 -0.07 0.00 -0.67 0.00 0.00 178.83 178.79 3hot h ARG 52 N 0.27 0.02 -0.17 1.46 3.08 -1.27 -2.37 114.38 115.40 3hot h ARG 52 Ca 0.07 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.16 3hot h ARG 52 Cb 0.55 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3hot h ARG 52 CO 0.03 0.01 0.18 0.74 -1.07 0.00 0.00 179.97 179.86 3hot h PHE 53 N 0.02 0.00 0.00 3.04 0.04 -0.51 -2.40 116.94 117.13 3hot h PHE 53 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3hot h PHE 53 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3hot h PHE 53 CO -0.30 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.04 3hot n LYS 54 N -3.85 0.22 -2.96 1.51 5.02 -0.39 -4.36 118.16 113.35 3hot n LYS 54 Ca 0.01 0.24 -0.15 0.00 -2.02 0.00 0.00 58.31 56.39 3hot n LYS 54 Cb 0.30 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3hot n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hot n SER 55 N -2.17 -1.25 -1.36 4.39 7.64 -0.92 -5.01 113.62 114.94 3hot n SER 55 Ca 0.05 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.81 3hot n SER 55 Cb 0.38 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 3hot n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hot n GLY 56 N 1.18 -0.25 0.12 0.23 0.00 -1.24 -5.00 105.19 100.22 3hot n GLY 56 Ca 0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 3hot n GLY 56 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hot h ASP 57 N 0.00 -0.23 -5.23 1.61 3.04 -1.74 -3.46 116.42 110.41 3hot h ASP 57 Ca 0.00 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 3hot h ASP 57 Cb 0.78 0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.20 3hot h ASP 57 CO 0.00 -0.09 0.00 0.49 -2.04 0.00 0.00 179.24 177.60 3hot n PHE 58 N -5.21 0.00 -1.80 4.15 3.01 -1.26 -4.80 117.46 111.55 3hot n PHE 58 Ca -0.03 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.23 3hot n PHE 58 Cb 0.13 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.54 3hot n PHE 58 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3hot s ASP 59 N -3.43 4.46 0.45 4.37 2.15 -1.26 -4.70 116.67 118.72 3hot s ASP 59 Ca 0.00 -0.33 0.25 0.00 0.43 0.00 0.00 52.55 52.91 3hot s ASP 59 Cb 0.00 -2.56 0.70 0.00 -0.30 0.00 0.00 42.92 40.76 3hot s ASP 59 CO 0.00 -3.38 1.73 0.58 -0.17 0.00 0.00 175.17 173.94 3hot h VAL 60 N 7.46 0.22 0.00 1.11 2.07 -2.01 -3.47 116.25 121.62 3hot h VAL 60 Ca 0.05 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3hot h VAL 60 Cb 1.00 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3hot h VAL 60 CO 1.10 0.11 0.00 -0.67 0.02 0.00 0.00 177.57 178.13 3hot n ASP 61 N -3.17 0.00 -4.69 0.57 2.03 -1.26 -5.11 116.55 104.92 3hot n ASP 61 Ca 0.02 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.89 3hot n ASP 61 Cb 0.48 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.84 3hot n ASP 61 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3hot n ASP 62 N 0.00 3.79 -4.73 1.67 9.92 -1.26 -4.97 116.55 120.97 3hot n ASP 62 Ca 0.00 1.02 -0.42 0.00 -0.53 0.00 0.00 54.79 54.86 3hot n ASP 62 Cb 0.00 -1.51 -0.03 0.00 -0.64 0.00 0.00 41.12 38.94 3hot n ASP 62 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3hot s LYS 63 N 2.23 4.36 -0.35 -1.24 2.20 -1.26 -4.81 119.74 120.86 3hot s LYS 63 Ca 0.81 2.07 -0.42 0.00 -0.36 0.00 0.00 55.97 58.07 3hot s LYS 63 Cb -0.55 -3.21 -0.17 0.00 -1.51 0.00 0.00 37.83 32.39 3hot s LYS 63 CO 0.38 -0.33 1.71 -1.91 -0.36 0.00 0.00 175.35 174.84 3hot n GLU 64 N 3.14 0.78 -1.50 4.03 2.13 -1.26 -4.98 120.64 122.99 3hot n GLU 64 Ca 0.08 0.29 -0.17 0.00 0.66 0.00 0.00 57.16 58.02 3hot n GLU 64 Cb 0.43 -1.91 0.11 0.00 0.27 0.00 0.00 31.44 30.33 3hot n GLU 64 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 3hot n HIS 65 N 5.00 -3.61 -0.61 4.31 -0.00 -1.26 -5.05 115.22 114.00 3hot n HIS 65 Ca 0.28 -0.92 -0.31 0.00 -0.00 0.00 0.00 57.72 56.78 3hot n HIS 65 Cb 0.07 -0.57 0.20 0.00 -0.00 0.00 0.00 29.99 29.68 3hot n HIS 65 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hot n GLY 66 N -0.28 -1.68 3.51 -1.39 0.00 -1.26 -5.07 105.19 99.02 3hot n GLY 66 Ca 0.11 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 3hot n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hot s LYS 67 N -4.16 0.93 0.62 1.61 -2.85 -1.26 -5.15 119.74 109.47 3hot s LYS 67 Ca 0.64 -0.08 -0.18 0.00 -1.00 0.00 0.00 55.97 55.34 3hot s LYS 67 Cb -0.22 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 3hot s LYS 67 CO 0.64 -0.35 1.09 -2.30 0.10 0.00 0.00 175.35 174.53 3hot n PRO 68 N 0.27 1.00 -1.85 1.78 -0.02 -1.26 -4.98 135.00 129.94 3hot n PRO 68 Ca -0.14 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.41 3hot n PRO 68 Cb 0.60 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3hot n PRO 68 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hot s PRO 69 N -2.96 3.13 0.64 0.52 0.04 -1.26 -5.02 135.00 130.08 3hot s PRO 69 Ca 0.78 1.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 3hot s PRO 69 Cb -0.40 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3hot s PRO 69 CO 0.45 -0.96 1.12 0.15 0.04 0.00 0.00 177.00 177.80 3hot s LYS 70 N -4.40 2.88 -0.24 4.56 1.02 -1.26 -5.00 119.74 117.31 3hot s LYS 70 Ca 0.62 1.47 -0.13 0.00 0.02 0.00 0.00 55.97 57.94 3hot s LYS 70 Cb -0.16 -1.95 -0.17 0.00 -0.52 0.00 0.00 37.83 35.03 3hot s LYS 70 CO 0.43 -1.20 -0.08 0.54 -0.92 0.00 0.00 175.35 174.12 3hot n ARG 71 N -2.18 0.61 -5.10 1.68 1.74 -1.26 -4.93 116.66 107.22 3hot n ARG 71 Ca 0.11 0.34 -0.32 0.00 -0.77 0.00 0.00 57.85 57.21 3hot n ARG 71 Cb 0.52 -1.60 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 3hot n ARG 71 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3hot s TYR 72 N -2.47 2.56 0.46 -1.55 -0.85 -1.26 -5.10 117.35 109.13 3hot s TYR 72 Ca -0.33 -0.57 -0.25 0.00 -0.52 0.00 0.00 57.07 55.39 3hot s TYR 72 Cb 0.10 -1.64 -0.08 0.00 0.38 0.00 0.00 41.96 40.72 3hot s TYR 72 CO 0.57 -0.12 1.44 0.39 -1.52 0.00 0.00 175.55 176.31 3hot n GLU 73 N 2.88 2.25 -0.18 -3.49 1.02 -1.26 -4.90 120.64 116.97 3hot n GLU 73 Ca -0.17 0.80 -0.13 0.00 -0.02 0.00 0.00 57.16 57.64 3hot n GLU 73 Cb 0.52 -2.64 -0.10 0.00 -0.02 0.00 0.00 31.44 29.20 3hot n GLU 73 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3hot h ASP 74 N 2.27 -1.86 0.00 1.62 5.19 -1.99 -0.47 116.42 121.18 3hot h ASP 74 Ca -0.51 0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3hot h ASP 74 Cb 1.27 0.77 0.00 0.00 0.18 0.00 0.00 39.33 41.55 3hot h ASP 74 CO 0.61 -0.37 0.03 0.00 -3.12 0.00 0.00 179.24 176.39 3hot n ALA 75 N -3.10 1.09 -0.06 3.45 0.00 -1.26 -1.19 120.51 119.45 3hot n ALA 75 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 3hot n ALA 75 Cb 0.32 -0.88 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 3hot n ALA 75 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hot n GLU 76 N -1.21 0.67 0.17 0.00 2.13 -0.20 -3.10 120.64 119.11 3hot n GLU 76 Ca 0.00 0.04 0.06 0.00 0.66 0.00 0.00 57.16 57.91 3hot n GLU 76 Cb 0.03 -1.59 0.16 0.00 0.27 0.00 0.00 31.44 30.31 3hot n GLU 76 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3hot h LEU 77 N 0.00 0.00 0.23 4.31 7.12 -0.95 -3.23 115.31 122.79 3hot h LEU 77 Ca -0.39 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.61 3hot h LEU 77 Cb 1.96 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.09 3hot h LEU 77 CO 0.03 0.35 -0.11 -0.61 -0.13 0.00 0.00 178.44 177.98 3hot h GLN 78 N 0.00 -0.30 -0.32 1.25 -0.00 -1.53 -3.09 115.11 111.12 3hot h GLN 78 Ca -0.00 0.02 0.09 0.00 -0.00 0.00 0.00 58.65 58.76 3hot h GLN 78 Cb 1.16 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.69 3hot h GLN 78 CO 0.05 0.02 0.41 0.00 0.00 0.00 0.00 178.83 179.30 3hot h ALA 79 N 0.03 1.96 -0.51 3.38 0.00 -1.56 0.54 119.26 123.11 3hot h ALA 79 Ca -0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3hot h ALA 79 Cb 0.45 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hot h ALA 79 CO 0.05 -0.57 -0.09 -0.07 0.00 0.00 0.00 179.25 178.57 3hot h LEU 80 N 0.00 0.93 -0.19 0.00 4.07 -1.59 -3.11 115.31 115.42 3hot h LEU 80 Ca 0.15 -0.29 -0.22 0.00 0.08 0.00 0.00 57.88 57.61 3hot h LEU 80 Cb 0.97 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.46 3hot h LEU 80 CO -0.00 1.03 -0.92 -0.07 -1.08 0.00 0.00 178.44 177.40 3hot h LEU 81 N 0.84 0.53 -1.86 1.67 3.38 0.07 -1.11 115.31 118.83 3hot h LEU 81 Ca 0.14 -0.42 0.12 0.00 0.09 0.00 0.00 57.88 57.82 3hot h LEU 81 Cb 0.62 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3hot h LEU 81 CO 0.04 1.21 0.36 0.44 0.09 0.00 0.00 178.44 180.58 3hot h ASP 82 N 0.24 0.13 0.14 -0.43 3.32 -1.50 0.22 116.42 118.54 3hot h ASP 82 Ca -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3hot h ASP 82 Cb 1.55 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.08 3hot h ASP 82 CO 0.16 0.08 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.36 3hot h GLU 83 N 0.15 -0.18 -3.72 3.56 5.08 -1.41 -3.43 114.58 114.62 3hot h GLU 83 Ca 0.25 0.01 -0.61 0.00 -1.00 0.00 0.00 59.36 58.01 3hot h GLU 83 Cb 0.78 0.04 -0.40 0.00 0.50 0.00 0.00 28.75 29.67 3hot h GLU 83 CO -0.03 -0.12 -0.74 0.34 -1.00 0.00 0.00 179.01 177.45 3hot s ASP 84 N -5.15 4.15 0.32 1.42 -1.08 -0.45 -4.98 116.67 110.90 3hot s ASP 84 Ca -0.03 -1.96 0.19 0.00 -0.52 0.00 0.00 52.55 50.23 3hot s ASP 84 Cb 0.00 -1.09 1.14 0.00 -1.46 0.00 0.00 42.92 41.51 3hot s ASP 84 CO 0.08 -0.38 1.32 -0.67 0.52 0.00 0.00 175.17 176.04 3hot n ASP 85 N 4.45 0.28 -3.40 -0.34 2.03 0.05 -3.58 116.55 116.03 3hot n ASP 85 Ca 0.01 1.36 -0.26 0.00 0.52 0.00 0.00 54.79 56.42 3hot n ASP 85 Cb 0.40 -0.66 -0.08 0.00 -0.72 0.00 0.00 41.12 40.06 3hot n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hot n ALA 86 N -2.40 3.65 -2.28 -1.67 0.00 -1.26 -5.02 120.51 111.53 3hot n ALA 86 Ca 0.32 -4.43 -0.22 0.00 0.00 0.00 0.00 53.44 49.10 3hot n ALA 86 Cb 1.10 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 3hot n ALA 86 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hot s GLN 87 N -2.08 2.42 0.09 0.00 -0.21 -1.24 -5.13 119.66 113.51 3hot s GLN 87 Ca 0.38 -1.68 0.02 0.00 0.02 0.00 0.00 55.36 54.10 3hot s GLN 87 Cb 0.14 -2.27 -0.04 0.00 1.00 0.00 0.00 33.01 31.84 3hot s GLN 87 CO -0.05 -0.29 0.14 0.95 -2.12 0.00 0.00 175.29 173.92 3hot s THR 88 N -2.56 4.81 0.18 -0.19 -4.23 -1.26 -5.00 115.64 107.38 3hot s THR 88 Ca 0.45 -0.70 -0.14 0.00 -1.18 0.00 0.00 61.69 60.11 3hot s THR 88 Cb -0.02 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.54 3hot s THR 88 CO 0.26 0.08 1.74 1.56 -0.54 0.00 0.00 174.62 177.72 3hot h GLN 89 N 3.03 0.27 -1.07 3.99 4.20 -1.99 0.20 115.11 123.75 3hot h GLN 89 Ca -0.46 -0.02 0.32 0.00 0.06 0.00 0.00 58.65 58.55 3hot h GLN 89 Cb 1.17 -0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.76 3hot h GLN 89 CO 0.68 0.18 0.64 -0.22 -0.67 0.00 0.00 178.83 179.45 3hot h LYS 90 N 0.28 0.32 0.08 1.46 3.11 -1.95 0.11 116.57 119.98 3hot h LYS 90 Ca 0.22 -0.02 -0.25 0.00 -2.81 0.00 0.00 60.65 57.78 3hot h LYS 90 Cb 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 3hot h LYS 90 CO -0.25 0.21 -1.12 0.37 -2.81 0.00 0.00 179.45 175.85 3hot h GLN 91 N 0.33 0.30 0.29 1.90 4.15 -1.02 -2.70 115.11 118.37 3hot h GLN 91 Ca 0.71 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 3hot h GLN 91 Cb 1.74 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.58 3hot h GLN 91 CO -0.49 1.16 -0.14 -0.07 -1.93 0.00 0.00 178.83 177.37 3hot h LEU 92 N 0.12 -0.33 -0.38 -2.39 3.38 -0.58 -3.25 115.31 111.88 3hot h LEU 92 Ca -0.11 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3hot h LEU 92 Cb 1.82 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 42.59 3hot h LEU 92 CO 0.19 0.14 -0.12 0.00 0.09 0.00 0.00 178.44 178.73 3hot n ALA 93 N -2.72 0.02 0.10 1.53 0.00 0.22 -0.02 120.51 119.64 3hot n ALA 93 Ca -0.06 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 3hot n ALA 93 Cb 0.19 -0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 3hot n ALA 93 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hot h GLU 94 N 0.00 -0.35 0.00 0.00 5.08 -1.51 0.31 114.58 118.12 3hot h GLU 94 Ca 0.15 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3hot h GLU 94 Cb 0.25 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3hot h GLU 94 CO -0.38 -0.23 -0.36 1.96 -1.00 0.00 0.00 179.01 178.99 3hot h GLN 95 N -0.36 0.00 0.00 2.33 4.20 -0.50 -2.01 115.11 118.77 3hot h GLN 95 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3hot h GLN 95 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3hot h GLN 95 CO -0.11 0.36 0.00 -0.07 -0.67 0.00 0.00 178.83 178.34 3hot h LEU 96 N 0.00 0.00 -2.57 1.46 4.07 -0.03 -3.48 115.31 114.76 3hot h LEU 96 Ca -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.82 3hot h LEU 96 Cb 0.68 0.00 0.11 0.00 1.08 0.00 0.00 40.66 42.53 3hot h LEU 96 CO 0.05 0.00 -0.46 -0.62 -1.08 0.00 0.00 178.44 176.33 3hot n GLU 97 N -2.50 -1.48 -3.61 1.13 1.02 0.10 -4.86 120.64 110.44 3hot n GLU 97 Ca 0.04 0.81 -0.02 0.00 -0.02 0.00 0.00 57.16 57.97 3hot n GLU 97 Cb 0.38 -4.71 -0.02 0.00 -0.02 0.00 0.00 31.44 27.07 3hot n GLU 97 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hot s VAL 98 N -3.21 0.00 0.45 2.62 0.11 -0.73 -5.04 120.40 114.60 3hot s VAL 98 Ca 0.24 -0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 59.04 3hot s VAL 98 Cb -0.03 -1.23 -0.09 0.00 -1.53 0.00 0.00 36.38 33.50 3hot s VAL 98 CO 0.55 0.00 1.05 -0.55 -3.33 0.00 0.00 175.10 172.82 3hot s SER 99 N -2.32 6.52 0.06 3.54 0.15 -1.26 -4.13 113.70 116.26 3hot s SER 99 Ca 0.11 1.98 -0.22 0.00 0.70 0.00 0.00 55.95 58.53 3hot s SER 99 Cb 0.01 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.65 3hot s SER 99 CO -0.04 -0.66 1.34 -0.61 1.20 0.00 0.00 173.24 174.47 3hot h GLN 100 N 1.98 -0.50 -1.17 5.44 -0.00 -1.89 -0.48 115.11 118.49 3hot h GLN 100 Ca -0.49 0.03 0.34 0.00 -0.00 0.00 0.00 58.65 58.54 3hot h GLN 100 Cb 1.22 0.11 -0.10 0.00 0.00 0.00 0.00 27.48 28.71 3hot h GLN 100 CO 0.60 -0.34 0.76 -0.56 0.00 0.00 0.00 178.83 179.30 3hot h GLN 101 N -0.52 0.23 0.28 1.69 -0.00 -1.95 0.30 115.11 115.13 3hot h GLN 101 Ca -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 3hot h GLN 101 Cb 0.49 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.91 3hot h GLN 101 CO -0.13 0.15 -0.27 0.00 -0.00 0.00 0.00 178.83 178.59 3hot h ALA 102 N 1.59 -0.97 -0.99 0.06 0.00 -1.52 -2.75 119.26 114.69 3hot h ALA 102 Ca 0.69 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.72 3hot h ALA 102 Cb 2.01 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 20.20 3hot h ALA 102 CO -0.33 -0.99 0.63 0.28 0.00 0.00 0.00 179.25 178.85 3hot h VAL 103 N -0.54 0.63 -0.97 0.00 2.07 0.90 -1.14 116.25 117.21 3hot h VAL 103 Ca -0.03 -0.18 0.22 0.00 0.82 0.00 0.00 66.70 67.53 3hot h VAL 103 Cb 0.46 0.06 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 3hot h VAL 103 CO -0.03 0.10 0.55 -1.28 0.02 0.00 0.00 177.57 176.93 3hot h SER 104 N 0.52 0.62 0.74 0.57 0.87 -0.47 -1.96 113.55 114.45 3hot h SER 104 Ca 0.55 0.13 -0.25 0.00 -1.23 0.00 0.00 61.79 60.99 3hot h SER 104 Cb 1.20 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.16 3hot h SER 104 CO -0.29 0.13 -1.33 0.78 -0.53 0.00 0.00 176.83 175.59 3hot h ASN 105 N 0.59 0.06 0.28 6.23 2.35 -1.14 -3.09 115.58 120.87 3hot h ASN 105 Ca 0.60 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 3hot h ASN 105 Cb 1.08 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.43 3hot h ASN 105 CO -0.46 1.07 0.00 0.54 -1.65 0.00 0.00 177.43 176.93 3hot n ARG 106 N -3.26 0.23 0.04 0.81 5.12 -0.77 -0.30 116.66 118.53 3hot n ARG 106 Ca -0.08 0.13 -0.22 0.00 -1.93 0.00 0.00 57.85 55.75 3hot n ARG 106 Cb 0.99 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 30.65 3hot n ARG 106 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3hot h LEU 107 N 0.00 0.51 -0.14 0.55 3.38 -1.39 -1.69 115.31 116.53 3hot h LEU 107 Ca 0.00 -0.93 -0.09 0.00 0.09 0.00 0.00 57.88 56.95 3hot h LEU 107 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hot h LEU 107 CO 0.00 1.80 -0.42 0.08 0.09 0.00 0.00 178.44 179.99 3hot h ARG 108 N 0.04 0.00 -0.30 1.13 0.11 -1.49 -2.73 114.38 111.14 3hot h ARG 108 Ca -0.38 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.67 3hot h ARG 108 Cb 2.03 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.10 3hot h ARG 108 CO 0.12 0.42 0.05 1.49 0.10 0.00 0.00 179.97 182.15 3hot h GLU 109 N 0.00 0.50 0.00 0.08 4.22 -0.74 -3.42 114.58 115.23 3hot h GLU 109 Ca -0.00 -0.14 -0.31 0.00 0.08 0.00 0.00 59.36 58.99 3hot h GLU 109 Cb 1.27 -0.06 0.13 0.00 0.50 0.00 0.00 28.75 30.59 3hot h GLU 109 CO 0.06 0.60 0.30 -1.33 -2.18 0.00 0.00 179.01 176.46 3hot n MET 110 N -4.63 -0.92 0.08 1.92 0.00 -0.63 -4.98 117.12 107.95 3hot n MET 110 Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 57.70 56.18 3hot n MET 110 Cb 0.21 -0.98 0.31 0.00 0.00 0.00 0.00 33.22 32.76 3hot n MET 110 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3hot h GLY 111 N -1.26 0.34 -4.01 3.03 0.00 -1.81 -3.44 103.07 95.92 3hot h GLY 111 Ca -0.31 -0.24 -0.52 0.00 0.00 0.00 0.00 47.33 46.26 3hot h GLY 111 CO 0.22 0.22 0.68 0.54 0.00 0.00 0.00 176.54 178.20 3hot s LYS 112 N -4.59 4.32 0.45 4.80 1.02 -1.03 -4.89 119.74 119.82 3hot s LYS 112 Ca -0.06 2.24 0.03 0.00 0.02 0.00 0.00 55.97 58.21 3hot s LYS 112 Cb 0.15 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3hot s LYS 112 CO 0.75 -0.27 0.03 0.96 -0.92 0.00 0.00 175.35 175.91 3hot s ILE 113 N -0.74 1.29 -0.09 2.17 -4.36 -1.26 -4.45 121.20 113.75 3hot s ILE 113 Ca 0.52 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.96 3hot s ILE 113 Cb -0.40 -2.47 -0.00 0.00 1.25 0.00 0.00 42.46 40.84 3hot s ILE 113 CO 0.50 0.00 -0.24 0.00 0.24 0.00 0.00 174.94 175.44 3hot s GLN 114 N -3.81 2.87 0.07 0.37 -2.07 -1.26 -5.12 119.66 110.71 3hot s GLN 114 Ca 0.19 -0.86 0.06 0.00 -1.82 0.00 0.00 55.36 52.93 3hot s GLN 114 Cb 0.05 -2.22 -0.03 0.00 -1.09 0.00 0.00 33.01 29.71 3hot s GLN 114 CO 0.10 0.22 -0.17 -1.59 -1.32 0.00 0.00 175.29 172.53 3hot s LYS 115 N 0.25 0.99 0.49 9.60 -2.85 -1.26 -5.14 119.74 121.83 3hot s LYS 115 Ca -0.15 -0.96 -0.21 0.00 -1.00 0.00 0.00 55.97 53.65 3hot s LYS 115 Cb -0.17 -1.08 -0.07 0.00 -2.06 0.00 0.00 37.83 34.45 3hot s LYS 115 CO 0.08 0.26 1.09 0.14 0.10 0.00 0.00 175.35 177.01 3hot s VAL 116 N -1.08 3.44 0.72 1.79 -7.23 -1.26 -5.03 120.40 111.74 3hot s VAL 116 Ca 0.02 0.94 -0.11 0.00 -1.81 0.00 0.00 61.98 61.02 3hot s VAL 116 Cb -0.09 -3.41 0.02 0.00 0.56 0.00 0.00 36.38 33.46 3hot s VAL 116 CO 0.02 -0.15 1.09 -0.83 -0.31 0.00 0.00 175.10 174.93 3hot s GLY 117 N -1.76 1.63 0.67 2.32 0.00 -1.26 -5.04 107.32 103.88 3hot s GLY 117 Ca 0.68 -0.29 -0.15 0.00 0.00 0.00 0.00 44.72 44.96 3hot s GLY 117 CO 0.26 0.08 1.11 0.50 0.00 0.00 0.00 173.10 175.04 3hot s ARG 118 N -5.31 2.76 0.03 2.90 0.52 -1.26 -5.05 118.95 113.55 3hot s ARG 118 Ca 0.58 1.38 -0.14 0.00 -0.52 0.00 0.00 55.73 57.03 3hot s ARG 118 Cb -0.12 -1.95 -0.06 0.00 0.52 0.00 0.00 34.95 33.35 3hot s ARG 118 CO 0.52 -1.28 0.43 -1.58 0.02 0.00 0.00 175.30 173.41 3hot s TRP 119 N -2.37 3.70 -0.06 -0.53 0.23 -1.26 -5.10 118.94 113.54 3hot s TRP 119 Ca 0.67 0.98 0.01 0.00 -2.03 0.00 0.00 56.10 55.73 3hot s TRP 119 Cb -0.20 -2.29 0.02 0.00 0.03 0.00 0.00 33.47 31.03 3hot s TRP 119 CO 0.42 0.61 -0.09 0.08 0.96 0.00 0.00 176.95 178.93 3hot s VAL 120 N -1.16 0.89 0.58 4.03 1.01 -1.26 -5.03 120.40 119.45 3hot s VAL 120 Ca 0.27 -0.32 0.29 0.00 0.00 0.00 0.00 61.98 62.22 3hot s VAL 120 Cb -0.16 -0.86 0.43 0.00 0.00 0.00 0.00 36.38 35.79 3hot s VAL 120 CO 0.15 0.31 1.28 -2.65 0.00 0.00 0.00 175.10 174.19 3hot n PRO 121 N 4.07 0.01 -3.62 2.72 -0.02 -1.26 -4.65 135.00 132.26 3hot n PRO 121 Ca -0.22 0.99 -0.07 0.00 -2.02 0.00 0.00 63.50 62.18 3hot n PRO 121 Cb 0.51 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 3hot n PRO 121 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hot s HIS 122 N -4.41 -0.28 -0.45 6.00 2.46 -1.26 -5.10 115.29 112.24 3hot s HIS 122 Ca -0.03 0.59 -0.28 0.00 0.47 0.00 0.00 55.06 55.81 3hot s HIS 122 Cb 0.15 0.44 0.00 0.00 -0.13 0.00 0.00 32.58 33.05 3hot s HIS 122 CO 0.51 -0.20 1.52 -1.21 -2.47 0.00 0.00 174.74 172.90 3hot s GLU 123 N -0.49 3.37 -0.04 2.88 0.41 -1.26 -4.98 118.70 118.60 3hot s GLU 123 Ca 0.03 0.87 -0.22 0.00 -0.41 0.00 0.00 54.97 55.25 3hot s GLU 123 Cb -0.03 -4.12 -0.05 0.00 -1.78 0.00 0.00 34.13 28.16 3hot s GLU 123 CO -0.06 -1.82 0.63 -0.51 -0.49 0.00 0.00 175.26 173.01 3hot s LEU 124 N 6.19 4.37 0.38 1.80 1.43 -1.26 -5.04 118.68 126.55 3hot s LEU 124 Ca 0.63 1.15 -0.25 0.00 -1.03 0.00 0.00 54.13 54.62 3hot s LEU 124 Cb -0.14 -2.97 -0.09 0.00 0.03 0.00 0.00 46.19 43.02 3hot s LEU 124 CO 0.30 0.01 1.11 0.20 0.23 0.00 0.00 176.35 178.20 3hot s ASN 125 N 0.26 6.73 0.31 2.29 -0.87 -1.26 -4.85 114.94 117.55 3hot s ASN 125 Ca 0.33 2.22 0.10 0.00 -1.57 0.00 0.00 52.86 53.95 3hot s ASN 125 Cb -0.18 -2.61 0.97 0.00 -0.02 0.00 0.00 41.25 39.42 3hot s ASN 125 CO 0.17 -0.52 1.46 -0.62 -2.57 0.00 0.00 177.10 175.02 3hot n GLU 126 N 0.22 -0.06 0.08 -0.60 4.71 -1.26 -0.87 120.64 122.85 3hot n GLU 126 Ca 0.04 1.33 -0.08 0.00 -0.01 0.00 0.00 57.16 58.44 3hot n GLU 126 Cb 0.47 -2.25 -0.05 0.00 -1.01 0.00 0.00 31.44 28.60 3hot n GLU 126 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3hot h ARG 127 N 0.00 -0.28 -1.06 3.49 2.43 -2.01 -3.28 114.38 113.67 3hot h ARG 127 Ca 0.67 0.02 0.31 0.00 -0.81 0.00 0.00 59.98 60.17 3hot h ARG 127 Cb 1.61 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 31.19 3hot h ARG 127 CO -0.79 0.01 0.85 1.96 -1.51 0.00 0.00 179.97 180.49 3hot h GLN 128 N -1.00 0.00 -0.56 0.20 4.20 -1.58 0.65 115.11 117.02 3hot h GLN 128 Ca -0.03 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 3hot h GLN 128 Cb 0.42 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3hot h GLN 128 CO 0.05 0.00 0.01 0.52 -0.67 0.00 0.00 178.83 178.74 3hot h MET 129 N 0.00 0.98 0.00 1.46 2.86 -1.07 -2.88 114.93 116.28 3hot h MET 129 Ca 0.50 -0.31 -0.19 0.00 -2.06 0.00 0.00 59.70 57.64 3hot h MET 129 Cb 2.20 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 33.74 3hot h MET 129 CO -0.01 0.97 -1.20 1.05 1.06 0.00 0.00 176.91 178.79 3hot h GLU 130 N 0.86 0.00 -0.95 1.72 4.11 0.17 -2.43 114.58 118.07 3hot h GLU 130 Ca 0.16 0.00 0.23 0.00 0.07 0.00 0.00 59.36 59.82 3hot h GLU 130 Cb 0.52 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.65 3hot h GLU 130 CO 0.03 0.54 0.49 0.00 0.07 0.00 0.00 179.01 180.14 3hot h ARG 131 N 0.00 0.48 0.35 1.06 2.47 -1.15 -0.81 114.38 116.78 3hot h ARG 131 Ca -0.12 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.55 3hot h ARG 131 Cb 1.69 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.90 3hot h ARG 131 CO 0.08 0.32 -0.17 0.00 0.56 0.00 0.00 179.97 180.76 3hot h ARG 132 N 0.49 -0.45 -0.87 0.04 3.08 -1.47 -3.01 114.38 112.18 3hot h ARG 132 Ca 0.60 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.84 3hot h ARG 132 Cb 1.13 0.10 -0.16 0.00 0.08 0.00 0.00 29.97 31.13 3hot h ARG 132 CO -0.50 -0.17 -0.30 -0.22 -1.07 0.00 0.00 179.97 177.71 3hot h LYS 133 N -1.01 -0.03 0.00 0.04 3.64 -0.88 -0.81 116.57 117.52 3hot h LYS 133 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hot h LYS 133 Cb 0.50 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3hot h LYS 133 CO 0.08 -0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.33 3hot n ASN 134 N -5.51 0.00 -0.33 4.20 4.13 -0.37 0.39 115.26 117.76 3hot n ASN 134 Ca 0.11 1.00 0.13 0.00 1.68 0.00 0.00 54.58 57.49 3hot n ASN 134 Cb 0.42 -0.50 0.26 0.00 -1.54 0.00 0.00 39.78 38.42 3hot n ASN 134 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3hot n THR 135 N -2.17 -0.40 0.10 3.41 -1.04 -0.73 0.19 114.28 113.63 3hot n THR 135 Ca 0.00 2.12 -0.04 0.00 -2.04 0.00 0.00 64.05 64.09 3hot n THR 135 Cb 0.00 -3.07 -0.02 0.00 -1.82 0.00 0.00 70.33 65.42 3hot n THR 135 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hot n GLU 137 N -2.84 -0.14 0.25 0.00 2.13 0.20 -0.27 120.64 119.98 3hot n GLU 137 Ca -0.03 0.83 -0.16 0.00 0.66 0.00 0.00 57.16 58.47 3hot n GLU 137 Cb 0.11 -1.24 -0.08 0.00 0.27 0.00 0.00 31.44 30.50 3hot n GLU 137 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3hot h ILE 138 N 0.00 0.56 0.19 6.31 5.03 0.22 -1.61 117.51 128.21 3hot h ILE 138 Ca 0.18 -0.12 -0.01 0.00 -0.12 0.00 0.00 64.86 64.79 3hot h ILE 138 Cb 0.32 0.62 0.00 0.00 -3.03 0.00 0.00 36.82 34.73 3hot h ILE 138 CO -0.54 0.02 -0.09 -0.07 -0.68 0.00 0.00 178.15 176.79 3hot h LEU 139 N -0.67 -0.22 -1.62 1.44 3.38 0.12 -2.57 115.31 115.18 3hot h LEU 139 Ca -0.06 -0.15 0.28 0.00 0.09 0.00 0.00 57.88 58.04 3hot h LEU 139 Cb 0.50 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 3hot h LEU 139 CO 0.10 0.02 0.71 0.25 0.09 0.00 0.00 178.44 179.61 3hot h LEU 140 N -0.46 0.27 -0.18 1.67 5.85 -0.65 -0.71 115.31 121.11 3hot h LEU 140 Ca -0.03 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3hot h LEU 140 Cb 0.35 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3hot h LEU 140 CO 0.04 0.06 0.01 -1.28 -0.34 0.00 0.00 178.44 176.93 3hot h SER 141 N 0.25 0.30 0.46 1.25 0.87 -0.87 -1.84 113.55 113.97 3hot h SER 141 Ca 0.55 -0.30 -0.12 0.00 -1.23 0.00 0.00 61.79 60.70 3hot h SER 141 Cb 1.69 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.56 3hot h SER 141 CO -0.18 0.53 -0.52 0.08 -0.53 0.00 0.00 176.83 176.21 3hot h ARG 142 N 0.07 0.07 -0.23 2.24 0.11 -1.05 -2.92 114.38 112.66 3hot h ARG 142 Ca 0.05 -0.04 0.01 0.00 0.10 0.00 0.00 59.98 60.10 3hot h ARG 142 Cb 0.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 3hot h ARG 142 CO 0.01 0.57 0.14 -0.92 0.10 0.00 0.00 179.97 179.87 3hot h TYR 143 N 0.05 0.25 -0.78 4.08 3.20 -1.15 -0.67 116.97 121.96 3hot h TYR 143 Ca -0.00 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.04 3hot h TYR 143 Cb 0.94 -0.08 -0.14 0.00 1.54 0.00 0.00 36.73 38.99 3hot h TYR 143 CO 0.00 0.15 -0.13 -0.22 -1.64 0.00 0.00 178.16 176.33 3hot h LYS 144 N 0.28 0.03 0.51 1.82 3.64 -1.19 -2.93 116.57 118.72 3hot h LYS 144 Ca 0.09 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3hot h LYS 144 Cb -0.01 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3hot h LYS 144 CO -0.04 0.02 -0.25 0.00 -2.27 0.00 0.00 179.45 176.91 3hot h ARG 145 N 0.03 -0.66 -2.10 1.90 3.08 -1.21 -3.46 114.38 111.96 3hot h ARG 145 Ca 0.39 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.47 3hot h ARG 145 Cb 0.64 0.15 -0.22 0.00 0.08 0.00 0.00 29.97 30.63 3hot h ARG 145 CO -0.77 -0.37 0.02 0.21 -1.07 0.00 0.00 179.97 178.00 3hot s LYS 146 N -5.25 0.72 0.29 0.04 2.47 -0.32 -5.13 119.74 112.57 3hot s LYS 146 Ca -0.15 1.06 -0.27 0.00 -1.56 0.00 0.00 55.97 55.05 3hot s LYS 146 Cb 0.03 0.24 -0.14 0.00 -1.46 0.00 0.00 37.83 36.50 3hot s LYS 146 CO 0.55 -0.12 0.79 0.45 0.16 0.00 0.00 175.35 177.18 3hot n SER 147 N 3.56 0.22 0.00 1.43 2.88 -1.18 -4.32 113.62 116.20 3hot n SER 147 Ca -0.17 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 3hot n SER 147 Cb 0.57 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 3hot n SER 147 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 3hot n PHE 148 N -0.06 0.00 0.26 0.66 1.16 -1.26 -4.81 117.46 113.41 3hot n PHE 148 Ca 0.12 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.85 3hot n PHE 148 Cb 0.32 0.03 0.64 0.00 -1.61 0.00 0.00 39.48 38.86 3hot n PHE 148 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3hot h LEU 149 N 0.00 0.00 -1.93 5.98 -0.00 -1.95 -2.43 115.31 114.98 3hot h LEU 149 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 58.04 3hot h LEU 149 Cb 0.82 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.46 3hot h LEU 149 CO 0.00 0.09 0.42 0.45 -0.00 0.00 0.00 178.44 179.40 3hot h HIS 150 N 0.00 0.08 -0.10 1.13 3.86 -2.00 -2.50 115.15 115.62 3hot h HIS 150 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hot h HIS 150 Cb 0.55 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.99 3hot h HIS 150 CO 0.00 0.03 0.00 2.89 0.86 0.00 0.00 177.93 181.71 3hot n ARG 151 N -4.39 2.25 -3.01 2.45 1.85 -0.92 -4.84 116.66 110.05 3hot n ARG 151 Ca 0.11 -2.32 -0.41 0.00 -1.00 0.00 0.00 57.85 54.23 3hot n ARG 151 Cb 0.62 -1.43 -0.05 0.00 -1.05 0.00 0.00 32.46 30.55 3hot n ARG 151 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 3hot s ILE 152 N -2.20 4.95 -0.08 8.89 -1.16 -0.94 -1.60 121.20 129.06 3hot s ILE 152 Ca 0.26 1.39 0.04 0.00 -0.51 0.00 0.00 60.65 61.82 3hot s ILE 152 Cb 0.21 -4.03 -0.01 0.00 0.61 0.00 0.00 42.46 39.23 3hot s ILE 152 CO 0.05 0.05 -0.19 0.54 -2.81 0.00 0.00 174.94 172.58 3hot s VAL 153 N 2.13 2.55 0.05 4.00 0.11 0.13 -4.47 120.40 124.90 3hot s VAL 153 Ca 0.33 -0.88 -0.00 0.00 -2.93 0.00 0.00 61.98 58.49 3hot s VAL 153 Cb -0.16 -1.99 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 3hot s VAL 153 CO 0.11 0.56 -0.03 0.28 -3.33 0.00 0.00 175.10 172.68 3hot s THR 154 N -0.13 0.25 0.15 5.04 -1.32 -0.59 -0.98 115.64 118.06 3hot s THR 154 Ca -0.03 -1.63 -0.24 0.00 -1.21 0.00 0.00 61.69 58.58 3hot s THR 154 Cb -0.14 -1.26 0.06 0.00 -1.51 0.00 0.00 72.50 69.65 3hot s THR 154 CO 0.04 -0.87 0.81 -0.83 -2.21 0.00 0.00 174.62 171.56 3hot s GLY 155 N -2.61 -0.33 -0.17 6.08 0.00 -1.08 -1.32 107.32 107.89 3hot s GLY 155 Ca 0.03 0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.74 3hot s GLY 155 CO -0.07 0.09 1.02 -0.35 0.00 0.00 0.00 173.10 173.78 3hot s ASP 156 N -2.79 -0.35 0.37 1.64 3.68 -1.10 -4.52 116.67 113.59 3hot s ASP 156 Ca 0.08 0.39 -0.11 0.00 2.13 0.00 0.00 52.55 55.04 3hot s ASP 156 Cb -0.02 0.29 -0.07 0.00 -1.45 0.00 0.00 42.92 41.67 3hot s ASP 156 CO -0.02 -0.32 0.73 -1.83 0.13 0.00 0.00 175.17 173.85 3hot s GLU 157 N -1.09 3.81 -0.00 4.34 1.03 -1.26 -3.58 118.70 121.94 3hot s GLU 157 Ca -0.01 0.45 -0.28 0.00 0.03 0.00 0.00 54.97 55.16 3hot s GLU 157 Cb -0.01 -2.44 0.07 0.00 -0.80 0.00 0.00 34.13 30.95 3hot s GLU 157 CO 0.01 0.05 0.63 -1.59 -1.33 0.00 0.00 175.26 173.03 3hot s LYS 158 N -3.59 1.08 0.35 -4.83 -2.85 0.03 -4.99 119.74 104.93 3hot s LYS 158 Ca 0.51 0.07 -0.23 0.00 -1.00 0.00 0.00 55.97 55.32 3hot s LYS 158 Cb -0.10 0.50 -0.10 0.00 -2.06 0.00 0.00 37.83 36.07 3hot s LYS 158 CO 0.28 -0.36 0.92 -1.58 0.10 0.00 0.00 175.35 174.70 3hot s TRP 159 N -1.74 3.54 -0.48 1.78 0.52 -1.26 -0.51 118.94 120.80 3hot s TRP 159 Ca -0.09 1.66 0.03 0.00 0.02 0.00 0.00 56.10 57.73 3hot s TRP 159 Cb -0.00 -2.85 0.13 0.00 -1.15 0.00 0.00 33.47 29.59 3hot s TRP 159 CO 0.05 0.11 0.24 0.42 0.02 0.00 0.00 176.95 177.79 3hot s ILE 160 N -1.82 2.11 0.50 2.03 1.01 0.31 -4.86 121.20 120.48 3hot s ILE 160 Ca 0.54 -2.98 -0.22 0.00 0.00 0.00 0.00 60.65 57.99 3hot s ILE 160 Cb -0.15 -2.48 -0.08 0.00 0.01 0.00 0.00 42.46 39.77 3hot s ILE 160 CO 0.20 -0.83 1.02 0.49 0.00 0.00 0.00 174.94 175.82 3hot n PHE 161 N 3.34 1.13 0.09 3.97 3.01 -1.26 -2.34 117.46 125.39 3hot n PHE 161 Ca 0.06 0.49 -0.12 0.00 1.01 0.00 0.00 57.45 58.89 3hot n PHE 161 Cb 0.33 -2.21 -0.12 0.00 -0.01 0.00 0.00 39.48 37.47 3hot n PHE 161 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 3hot h PHE 162 N 1.15 0.30 -3.54 1.38 -1.00 -1.75 -3.43 116.94 110.05 3hot h PHE 162 Ca -0.47 -0.21 -0.60 0.00 2.81 0.00 0.00 57.97 59.50 3hot h PHE 162 Cb 1.34 -0.01 -0.33 0.00 3.61 0.00 0.00 35.95 40.56 3hot h PHE 162 CO 0.41 1.15 -0.85 0.54 -1.61 0.00 0.00 178.31 177.96 3hot s VAL 163 N -2.72 1.61 -0.34 -0.55 0.11 -1.26 -1.19 120.40 116.06 3hot s VAL 163 Ca -0.02 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 3hot s VAL 163 Cb 0.08 -1.40 0.12 0.00 -1.53 0.00 0.00 36.38 33.65 3hot s VAL 163 CO 0.86 0.46 0.17 0.20 -3.33 0.00 0.00 175.10 173.45 3hot s ASN 164 N 0.35 3.42 -0.09 3.54 -0.87 -1.25 -4.88 114.94 115.15 3hot s ASN 164 Ca -0.13 -1.87 -0.04 0.00 -1.57 0.00 0.00 52.86 49.25 3hot s ASN 164 Cb -0.16 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.25 40.49 3hot s ASN 164 CO 0.05 -0.36 0.08 -2.16 -2.57 0.00 0.00 177.10 172.14 3hot s PRO 165 N 1.39 3.21 0.22 -0.60 0.05 -1.26 -2.39 135.00 135.63 3hot s PRO 165 Ca 0.14 -0.28 -0.11 0.00 0.05 0.00 0.00 61.00 60.79 3hot s PRO 165 Cb -0.20 -2.99 -0.07 0.00 0.05 0.00 0.00 34.50 31.29 3hot s PRO 165 CO -0.15 0.73 0.57 -1.59 0.05 0.00 0.00 177.00 176.61 3hot s LYS 166 N -1.06 3.85 -0.17 4.56 0.00 -1.26 -4.87 119.74 120.79 3hot s LYS 166 Ca 0.15 0.35 -0.29 0.00 0.00 0.00 0.00 55.97 56.18 3hot s LYS 166 Cb -0.12 -2.67 -0.01 0.00 0.00 0.00 0.00 37.83 35.03 3hot s LYS 166 CO 0.05 0.33 1.13 0.50 0.00 0.00 0.00 175.35 177.35 3hot s ARG 167 N -2.69 4.29 0.07 1.78 3.52 -1.26 -4.94 118.95 119.72 3hot s ARG 167 Ca 0.46 1.50 -0.30 0.00 -0.13 0.00 0.00 55.73 57.27 3hot s ARG 167 Cb -0.12 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 3hot s ARG 167 CO 0.20 -0.58 0.95 0.15 -0.81 0.00 0.00 175.30 175.21 3hot s LYS 168 N 2.99 4.65 -0.02 5.12 1.02 -1.26 -5.06 119.74 127.17 3hot s LYS 168 Ca 0.50 1.41 0.04 0.00 0.02 0.00 0.00 55.97 57.94 3hot s LYS 168 Cb -0.19 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 3hot s LYS 168 CO 0.13 0.14 -0.14 -1.59 -0.92 0.00 0.00 175.35 172.98 3hot s LYS 169 N 0.28 2.44 0.02 1.68 0.00 -1.26 -4.49 119.74 118.40 3hot s LYS 169 Ca 0.48 -0.75 0.01 0.00 0.00 0.00 0.00 55.97 55.71 3hot s LYS 169 Cb -0.22 -2.37 -0.01 0.00 0.00 0.00 0.00 37.83 35.23 3hot s LYS 169 CO 0.29 0.61 -0.04 0.45 0.00 0.00 0.00 175.35 176.65 3hot s SER 170 N -0.97 0.42 -0.51 0.03 0.15 -1.26 -4.98 113.70 106.57 3hot s SER 170 Ca 0.13 -0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.27 3hot s SER 170 Cb -0.11 0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.27 3hot s SER 170 CO 0.02 -0.12 0.74 -0.31 1.20 0.00 0.00 173.24 174.78 3hot s TYR 171 N -0.78 2.96 0.03 3.44 1.51 -1.26 -4.95 117.35 118.31 3hot s TYR 171 Ca -0.06 -0.25 -0.08 0.00 -1.01 0.00 0.00 57.07 55.67 3hot s TYR 171 Cb -0.06 -3.69 -0.00 0.00 -0.11 0.00 0.00 41.96 38.10 3hot s TYR 171 CO -0.00 -1.11 0.15 0.54 -1.11 0.00 0.00 175.55 174.01 3hot s VAL 172 N 3.14 0.11 0.79 0.71 0.11 -1.26 -5.15 120.40 118.86 3hot s VAL 172 Ca 0.22 -0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 58.17 3hot s VAL 172 Cb -0.16 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 3hot s VAL 172 CO 0.16 -0.52 0.23 0.47 -3.33 0.00 0.00 175.10 172.11 3hot n ASP 173 N 0.83 -2.38 -4.65 3.54 8.00 -1.26 -4.85 116.55 115.77 3hot n ASP 173 Ca -0.19 0.48 -0.40 0.00 0.71 0.00 0.00 54.79 55.38 3hot n ASP 173 Cb 0.58 -1.11 0.02 0.00 -0.02 0.00 0.00 41.12 40.60 3hot n ASP 173 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3hot n PRO 174 N -0.22 1.46 -0.86 -0.24 -0.02 -1.26 -2.25 135.00 131.61 3hot n PRO 174 Ca 0.07 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3hot n PRO 174 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3hot n PRO 174 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hot n GLY 175 N 1.05 0.58 3.95 -1.23 0.00 -1.26 -4.99 105.19 103.29 3hot n GLY 175 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3hot n GLY 175 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hot s GLN 176 N -0.42 3.43 0.34 1.61 2.00 -0.95 -5.07 119.66 120.60 3hot s GLN 176 Ca 0.00 -0.40 -0.14 0.00 -2.00 0.00 0.00 55.36 52.82 3hot s GLN 176 Cb 0.00 -2.68 -0.08 0.00 0.80 0.00 0.00 33.01 31.05 3hot s GLN 176 CO 0.00 0.13 0.74 -1.25 -0.50 0.00 0.00 175.29 174.41 3hot s PRO 177 N -4.31 3.95 0.00 1.67 0.04 -1.26 -4.92 135.00 130.17 3hot s PRO 177 Ca 0.40 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.06 3hot s PRO 177 Cb -0.10 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.02 3hot s PRO 177 CO 0.35 0.11 0.00 0.00 0.04 0.00 0.00 177.00 177.51 3hot n ALA 178 N -0.58 0.00 -2.80 8.56 0.00 -1.26 -4.94 120.51 119.48 3hot n ALA 178 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 3hot n ALA 178 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 3hot n ALA 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hot s THR 179 N 0.00 5.02 0.01 0.00 2.01 -1.26 -5.05 115.64 116.37 3hot s THR 179 Ca 0.00 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.00 3hot s THR 179 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 3hot s THR 179 CO 0.00 0.59 0.05 -0.94 -0.69 0.00 0.00 174.62 173.63 3hot s SER 180 N -1.04 5.47 -0.05 3.53 1.04 -1.26 -4.62 113.70 116.77 3hot s SER 180 Ca 0.15 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.67 3hot s SER 180 Cb -0.12 -1.51 0.01 0.00 0.10 0.00 0.00 66.02 64.50 3hot s SER 180 CO 0.04 0.26 -0.09 -0.89 0.98 0.00 0.00 173.24 173.54 3hot s THR 181 N -1.19 0.90 -0.03 2.02 2.01 -1.26 -4.97 115.64 113.11 3hot s THR 181 Ca 0.23 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 3hot s THR 181 Cb -0.12 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3hot s THR 181 CO 0.14 0.29 1.29 0.00 -0.69 0.00 0.00 174.62 175.66 3hot s ALA 182 N 0.60 3.54 0.55 7.40 0.00 -1.26 -4.95 121.76 127.64 3hot s ALA 182 Ca -0.11 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 3hot s ALA 182 Cb -0.14 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 3hot s ALA 182 CO 0.02 -0.84 0.57 -2.13 0.00 0.00 0.00 175.76 173.38 3hot n ARG 183 N 5.32 0.57 -2.54 0.00 0.63 -1.26 -4.90 116.66 114.47 3hot n ARG 183 Ca 0.12 0.22 -0.39 0.00 -0.92 0.00 0.00 57.85 56.88 3hot n ARG 183 Cb 0.45 -1.73 -0.04 0.00 0.45 0.00 0.00 32.46 31.59 3hot n ARG 183 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3hot s PRO 184 N -2.08 4.46 -0.12 -0.14 0.04 -1.26 -4.99 135.00 130.91 3hot s PRO 184 Ca 0.69 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 63.07 3hot s PRO 184 Cb -0.46 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 3hot s PRO 184 CO 0.54 0.10 1.65 1.21 0.04 0.00 0.00 177.00 180.54 3hot s ASN 185 N -1.22 6.53 0.36 6.66 3.84 -1.26 -4.86 114.94 124.99 3hot s ASN 185 Ca 0.50 2.00 0.19 0.00 0.21 0.00 0.00 52.86 55.76 3hot s ASN 185 Cb -0.27 -2.53 1.29 0.00 -0.55 0.00 0.00 41.25 39.19 3hot s ASN 185 CO 0.34 -1.07 1.60 0.03 -2.79 0.00 0.00 177.10 175.20 3hot h ARG 186 N 10.12 0.06 -2.21 0.43 3.08 -2.00 -2.74 114.38 121.12 3hot h ARG 186 Ca -0.37 -0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.10 3hot h ARG 186 Cb 1.17 -0.01 -0.39 0.00 0.08 0.00 0.00 29.97 30.81 3hot h ARG 186 CO 0.97 0.04 -0.97 1.97 -1.07 0.00 0.00 179.97 180.91 3hot n PHE 187 N -5.22 0.13 -0.27 3.04 -1.74 -1.26 -5.10 117.46 107.03 3hot n PHE 187 Ca 0.36 -3.59 0.00 0.00 -0.56 0.00 0.00 57.45 53.66 3hot n PHE 187 Cb 1.22 -0.19 0.00 0.00 1.52 0.00 0.00 39.48 42.03 3hot n PHE 187 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3hot n GLY 188 N 1.85 0.87 3.75 4.97 0.00 -1.04 -5.02 105.19 110.58 3hot n GLY 188 Ca 0.25 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 3hot n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hot s LYS 189 N 0.85 4.62 -0.13 1.61 1.02 -1.26 -5.02 119.74 121.42 3hot s LYS 189 Ca 0.00 1.80 -0.11 0.00 0.02 0.00 0.00 55.97 57.68 3hot s LYS 189 Cb 0.00 -3.21 0.04 0.00 -0.52 0.00 0.00 37.83 34.14 3hot s LYS 189 CO 0.00 0.16 0.35 -1.59 -0.92 0.00 0.00 175.35 173.35 3hot s LYS 190 N -1.13 0.39 0.17 1.68 -2.85 -1.26 -2.00 119.74 114.74 3hot s LYS 190 Ca 0.46 0.53 0.04 0.00 -1.00 0.00 0.00 55.97 56.00 3hot s LYS 190 Cb -0.32 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.56 3hot s LYS 190 CO 0.40 -0.07 0.23 0.95 0.10 0.00 0.00 175.35 176.95 3hot s THR 191 N 0.46 4.96 -0.27 3.79 -4.23 -0.99 -3.78 115.64 115.58 3hot s THR 191 Ca -0.02 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 3hot s THR 191 Cb -0.04 -3.57 0.06 0.00 1.34 0.00 0.00 72.50 70.29 3hot s THR 191 CO -0.02 -0.15 -0.08 -0.32 -0.54 0.00 0.00 174.62 173.51 3hot s MET 192 N -3.32 2.21 -0.25 3.99 1.75 -1.23 -0.53 119.30 121.90 3hot s MET 192 Ca 0.33 -1.38 -0.23 0.00 -1.25 0.00 0.00 55.69 53.16 3hot s MET 192 Cb -0.10 -2.96 -0.01 0.00 2.84 0.00 0.00 34.83 34.60 3hot s MET 192 CO 0.26 -0.61 0.76 -1.17 -0.65 0.00 0.00 175.02 173.62 3hot s LEU 193 N 1.11 4.08 -0.25 4.11 2.96 0.33 -2.88 118.68 128.14 3hot s LEU 193 Ca -0.07 0.89 -0.07 0.00 -0.22 0.00 0.00 54.13 54.66 3hot s LEU 193 Cb -0.20 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 3hot s LEU 193 CO -0.05 -0.49 0.08 0.00 -1.32 0.00 0.00 176.35 174.57 3hot s VAL 195 N 1.62 0.48 0.04 0.00 0.11 -1.24 -0.65 120.40 120.78 3hot s VAL 195 Ca 0.06 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.29 3hot s VAL 195 Cb -0.15 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 3hot s VAL 195 CO 0.04 -0.27 -0.10 0.26 -3.33 0.00 0.00 175.10 171.70 3hot s TRP 196 N -1.07 0.88 0.16 1.54 0.51 0.50 -2.70 118.94 118.77 3hot s TRP 196 Ca -0.07 -0.41 -0.24 0.00 -2.12 0.00 0.00 56.10 53.26 3hot s TRP 196 Cb -0.08 -0.52 0.06 0.00 -0.81 0.00 0.00 33.47 32.12 3hot s TRP 196 CO 0.00 -0.02 0.70 1.67 -0.51 0.00 0.00 176.95 178.80 3hot s TRP 197 N -1.11 -0.39 0.34 -1.98 1.48 -0.43 -0.90 118.94 115.95 3hot s TRP 197 Ca -0.05 0.13 0.07 0.00 -1.06 0.00 0.00 56.10 55.20 3hot s TRP 197 Cb -0.09 0.60 -0.03 0.00 -1.16 0.00 0.00 33.47 32.79 3hot s TRP 197 CO 0.01 -0.89 0.27 -0.40 -4.06 0.00 0.00 176.95 171.88 3hot n ASP 198 N -0.39 -0.51 0.00 -2.66 5.75 -0.94 -1.54 116.55 116.26 3hot n ASP 198 Ca -0.12 -3.21 0.00 0.00 -0.01 0.00 0.00 54.79 51.45 3hot n ASP 198 Cb 0.63 1.62 0.00 0.00 -1.03 0.00 0.00 41.12 42.34 3hot n ASP 198 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hot n GLN 199 N -0.67 0.00 -0.00 0.11 10.64 -1.26 -0.06 117.38 126.14 3hot n GLN 199 Ca 0.06 0.35 0.10 0.00 -1.83 0.00 0.00 57.00 55.68 3hot n GLN 199 Cb 0.61 -1.63 -0.12 0.00 -0.86 0.00 0.00 30.24 28.25 3hot n GLN 199 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3hot n SER 200 N -1.34 0.92 0.00 2.61 7.64 -1.26 -1.61 113.62 120.58 3hot n SER 200 Ca 0.00 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.95 3hot n SER 200 Cb 0.13 1.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 3hot n SER 200 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hot n GLY 201 N 1.47 0.95 3.68 0.23 0.00 0.91 -4.76 105.19 107.67 3hot n GLY 201 Ca 0.03 -2.14 -0.49 0.00 0.00 0.00 0.00 46.02 43.42 3hot n GLY 201 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hot n VAL 202 N -1.40 0.55 -0.06 1.61 3.14 -1.26 -2.22 118.33 118.68 3hot n VAL 202 Ca 0.00 -0.11 -0.13 0.00 -2.96 0.00 0.00 64.34 61.15 3hot n VAL 202 Cb 0.00 -1.82 -0.11 0.00 -1.06 0.00 0.00 33.84 30.84 3hot n VAL 202 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 3hot h ILE 203 N 5.51 1.59 -2.55 1.55 1.08 -1.35 -3.48 117.51 119.85 3hot h ILE 203 Ca -0.48 -2.11 -0.05 0.00 -0.39 0.00 0.00 64.86 61.84 3hot h ILE 203 Cb 1.28 2.96 -0.16 0.00 -3.07 0.00 0.00 36.82 37.83 3hot h ILE 203 CO 0.95 0.52 0.16 -0.47 -0.69 0.00 0.00 178.15 178.62 3hot s TYR 204 N -2.35 -0.55 -0.08 1.37 6.04 -1.08 -4.89 117.35 115.81 3hot s TYR 204 Ca -0.17 0.67 -0.30 0.00 0.04 0.00 0.00 57.07 57.31 3hot s TYR 204 Cb -0.02 0.44 0.07 0.00 -1.04 0.00 0.00 41.96 41.41 3hot s TYR 204 CO 0.62 -0.70 0.70 1.52 -1.54 0.00 0.00 175.55 176.15 3hot s TYR 205 N -2.42 -0.66 0.09 4.97 1.13 -1.26 -0.37 117.35 118.84 3hot s TYR 205 Ca -0.05 1.18 0.08 0.00 -1.41 0.00 0.00 57.07 56.86 3hot s TYR 205 Cb -0.01 0.40 -0.03 0.00 -1.10 0.00 0.00 41.96 41.22 3hot s TYR 205 CO -0.01 -0.57 -0.19 -1.21 -2.51 0.00 0.00 175.55 171.05 3hot s GLU 206 N -1.04 1.06 -0.36 -3.49 2.02 0.18 -5.00 118.70 112.08 3hot s GLU 206 Ca -0.10 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.79 3hot s GLU 206 Cb -0.00 -1.27 0.09 0.00 0.10 0.00 0.00 34.13 33.05 3hot s GLU 206 CO 0.09 0.29 0.09 -1.17 0.02 0.00 0.00 175.26 174.58 3hot s LEU 207 N -1.85 4.74 0.17 1.80 2.96 -1.26 -2.01 118.68 123.23 3hot s LEU 207 Ca 0.05 -1.92 -0.31 0.00 -0.22 0.00 0.00 54.13 51.72 3hot s LEU 207 Cb -0.10 -1.72 -0.10 0.00 0.50 0.00 0.00 46.19 44.78 3hot s LEU 207 CO 0.04 -0.41 1.51 -0.76 -1.32 0.00 0.00 176.35 175.40 3hot s LEU 208 N 1.06 4.37 0.23 -0.68 1.02 -1.14 -4.92 118.68 118.62 3hot s LEU 208 Ca 0.06 2.56 -0.31 0.00 0.02 0.00 0.00 54.13 56.46 3hot s LEU 208 Cb -0.21 -3.60 -0.14 0.00 0.02 0.00 0.00 46.19 42.26 3hot s LEU 208 CO -0.05 -0.77 1.26 0.29 0.02 0.00 0.00 176.35 177.09 3hot n LYS 209 N 3.74 1.62 -1.37 1.70 5.02 -1.26 -3.57 118.16 124.04 3hot n LYS 209 Ca 0.12 0.57 -0.49 0.00 -2.02 0.00 0.00 58.31 56.49 3hot n LYS 209 Cb 0.40 -2.13 -0.04 0.00 -0.02 0.00 0.00 35.03 33.23 3hot n LYS 209 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hot n PRO 210 N 1.68 0.00 -3.28 1.97 -0.02 -1.26 -2.25 135.00 131.83 3hot n PRO 210 Ca 0.12 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.45 3hot n PRO 210 Cb 0.29 -1.11 0.07 0.00 -0.02 0.00 0.00 33.50 32.73 3hot n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hot n GLY 211 N 1.76 -0.94 3.15 -1.23 0.00 -1.25 -5.03 105.19 101.65 3hot n GLY 211 Ca 0.18 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.35 3hot n GLY 211 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hot s GLU 212 N -4.63 2.59 0.42 1.61 2.56 -0.96 -5.14 118.70 115.16 3hot s GLU 212 Ca 0.33 -0.72 -0.01 0.00 0.00 0.00 0.00 54.97 54.58 3hot s GLU 212 Cb -0.04 -2.01 -0.02 0.00 2.00 0.00 0.00 34.13 34.05 3hot s GLU 212 CO 0.73 0.11 0.65 -0.08 -0.56 0.00 0.00 175.26 176.11 3hot s THR 213 N 0.50 4.62 -0.35 -1.70 -1.32 -1.26 -4.94 115.64 111.19 3hot s THR 213 Ca -0.16 -0.32 0.01 0.00 -1.21 0.00 0.00 61.69 60.01 3hot s THR 213 Cb -0.17 -3.71 0.11 0.00 -1.51 0.00 0.00 72.50 67.22 3hot s THR 213 CO 0.06 -0.54 0.12 0.54 -2.21 0.00 0.00 174.62 172.60 3hot s VAL 214 N -2.52 1.38 0.21 5.08 0.11 -1.26 -5.03 120.40 118.38 3hot s VAL 214 Ca 0.45 -1.93 0.07 0.00 -2.93 0.00 0.00 61.98 57.64 3hot s VAL 214 Cb -0.10 -2.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 3hot s VAL 214 CO 0.39 -0.71 0.10 0.54 -3.33 0.00 0.00 175.10 172.09 3hot s ASN 215 N 1.12 5.19 0.19 3.54 2.20 -1.26 -4.82 114.94 121.11 3hot s ASN 215 Ca 0.12 -0.31 -0.07 0.00 -0.94 0.00 0.00 52.86 51.66 3hot s ASN 215 Cb -0.19 -1.24 0.29 0.00 -2.00 0.00 0.00 41.25 38.11 3hot s ASN 215 CO -0.15 0.03 1.09 0.00 -2.94 0.00 0.00 177.10 175.13 3hot n ALA 216 N -0.66 0.12 -0.13 3.54 0.00 -1.26 0.19 120.51 122.31 3hot n ALA 216 Ca -0.08 0.76 -0.10 0.00 0.00 0.00 0.00 53.44 54.02 3hot n ALA 216 Cb 0.57 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 3hot n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hot h ALA 217 N 1.32 0.50 -0.25 0.00 0.00 -1.94 -2.85 119.26 116.04 3hot h ALA 217 Ca 0.32 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3hot h ALA 217 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hot h ALA 217 CO -0.72 0.16 -0.21 -0.09 0.00 0.00 0.00 179.25 178.40 3hot h ARG 218 N 0.47 0.46 0.25 0.00 9.65 0.17 -3.05 114.38 122.33 3hot h ARG 218 Ca 0.12 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3hot h ARG 218 Cb 0.28 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3hot h ARG 218 CO -0.00 0.65 -0.12 -0.92 2.80 0.00 0.00 179.97 182.37 3hot h TYR 219 N 0.42 -0.32 -0.48 2.20 3.20 -0.88 -2.75 116.97 118.37 3hot h TYR 219 Ca 0.07 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.02 3hot h TYR 219 Cb 0.60 0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.87 3hot h TYR 219 CO 0.02 -0.11 -0.35 1.96 -1.64 0.00 0.00 178.16 178.04 3hot h GLN 220 N -0.46 -0.22 -0.96 1.82 4.20 -1.47 0.19 115.11 118.21 3hot h GLN 220 Ca -0.03 0.02 0.27 0.00 0.06 0.00 0.00 58.65 58.96 3hot h GLN 220 Cb 0.34 0.05 -0.14 0.00 0.30 0.00 0.00 27.48 28.04 3hot h GLN 220 CO 0.06 -0.15 0.49 0.37 -0.67 0.00 0.00 178.83 178.93 3hot h GLN 221 N -0.23 0.39 0.06 1.46 5.75 -1.45 0.91 115.11 122.00 3hot h GLN 221 Ca 0.19 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3hot h GLN 221 Cb 0.55 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.01 3hot h GLN 221 CO -0.60 0.26 -0.03 1.96 -2.65 0.00 0.00 178.83 177.77 3hot h GLN 222 N 0.40 -0.08 -0.34 1.69 4.20 -0.44 -2.48 115.11 118.06 3hot h GLN 222 Ca 0.65 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.42 3hot h GLN 222 Cb 1.33 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 29.05 3hot h GLN 222 CO -0.56 0.36 -0.47 -0.07 -0.67 0.00 0.00 178.83 177.43 3hot h LEU 223 N -0.56 -1.54 -0.34 1.46 3.38 0.63 0.48 115.31 118.82 3hot h LEU 223 Ca -0.01 0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.25 3hot h LEU 223 Cb 0.48 0.65 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 3hot h LEU 223 CO 0.01 -0.40 -0.36 0.40 0.09 0.00 0.00 178.44 178.19 3hot h ILE 224 N -0.39 0.20 -0.38 1.22 2.04 -0.97 -0.14 117.51 119.08 3hot h ILE 224 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 3hot h ILE 224 Cb 0.61 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3hot h ILE 224 CO -0.54 0.00 0.26 0.78 0.00 0.00 0.00 178.15 178.65 3hot h ASN 225 N -0.31 0.33 0.75 1.72 -0.26 -0.79 0.21 115.58 117.23 3hot h ASN 225 Ca 0.15 -0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.85 3hot h ASN 225 Cb 0.56 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 3hot h ASN 225 CO -0.51 0.22 -0.40 0.25 -1.06 0.00 0.00 177.43 175.94 3hot h LEU 226 N 0.38 -0.97 -1.03 1.61 7.12 0.11 -2.04 115.31 120.49 3hot h LEU 226 Ca 0.16 0.04 0.07 0.00 0.13 0.00 0.00 57.88 58.28 3hot h LEU 226 Cb 0.16 0.26 -0.07 0.00 -0.53 0.00 0.00 40.66 40.49 3hot h LEU 226 CO -0.04 -0.65 0.64 -1.13 -0.13 0.00 0.00 178.44 177.14 3hot h ASN 227 N -1.06 1.01 -0.42 1.25 -0.00 0.36 0.17 115.58 116.89 3hot h ASN 227 Ca -0.10 0.01 0.06 0.00 -0.00 0.00 0.00 56.30 56.27 3hot h ASN 227 Cb 0.83 -0.20 -0.05 0.00 -0.00 0.00 0.00 38.32 38.90 3hot h ASN 227 CO 0.14 0.63 0.13 -0.09 -0.00 0.00 0.00 177.43 178.25 3hot h ARG 228 N 1.14 0.28 0.00 6.67 1.12 -0.59 -0.71 114.38 122.30 3hot h ARG 228 Ca 0.44 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.29 3hot h ARG 228 Cb 0.21 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 3hot h ARG 228 CO -0.18 0.19 0.00 0.00 -3.11 0.00 0.00 179.97 176.87 3hot n ALA 229 N -2.40 2.25 0.07 2.80 0.00 -0.46 -3.63 120.51 119.14 3hot n ALA 229 Ca 0.03 -0.06 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 3hot n ALA 229 Cb 0.17 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.07 3hot n ALA 229 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hot h LEU 230 N 0.00 0.76 -1.21 0.00 5.85 0.81 -0.71 115.31 120.81 3hot h LEU 230 Ca 0.00 -0.64 -0.04 0.00 0.84 0.00 0.00 57.88 58.04 3hot h LEU 230 Cb 0.57 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3hot h LEU 230 CO 0.00 1.45 -0.20 1.56 -0.34 0.00 0.00 178.44 180.90 3hot h GLN 231 N 0.30 0.00 0.00 1.25 1.08 -1.52 0.13 115.11 116.35 3hot h GLN 231 Ca -0.13 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 3hot h GLN 231 Cb 1.73 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.16 3hot h GLN 231 CO 0.20 0.20 -0.16 -0.09 -0.95 0.00 0.00 178.83 178.03 3hot h ARG 232 N 0.00 0.00 -0.15 1.46 2.43 -1.65 -3.29 114.38 113.18 3hot h ARG 232 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 3hot h ARG 232 Cb 0.69 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3hot h ARG 232 CO 0.03 0.10 -0.43 0.87 -1.51 0.00 0.00 179.97 179.03 3hot h LYS 233 N -1.00 0.36 -3.05 0.20 1.79 -1.17 -3.35 116.57 110.35 3hot h LYS 233 Ca -0.01 -0.18 -0.62 0.00 -2.18 0.00 0.00 60.65 57.66 3hot h LYS 233 Cb 0.24 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.48 3hot h LYS 233 CO -0.01 0.73 -0.65 1.03 -1.08 0.00 0.00 179.45 179.48 3hot s ARG 234 N -4.13 2.07 0.00 3.15 1.81 0.44 -4.92 118.95 117.37 3hot s ARG 234 Ca -0.06 -2.93 0.15 0.00 -1.72 0.00 0.00 55.73 51.17 3hot s ARG 234 Cb 0.13 -3.07 0.68 0.00 -0.45 0.00 0.00 34.95 32.24 3hot s ARG 234 CO 0.79 -1.25 1.43 -0.35 -0.68 0.00 0.00 175.30 175.25 3hot n PRO 235 N 2.45 0.11 -0.32 3.54 -0.04 -1.24 -3.07 135.00 136.43 3hot n PRO 235 Ca 0.17 0.20 0.17 0.00 -0.04 0.00 0.00 63.50 64.00 3hot n PRO 235 Cb 0.36 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.74 3hot n PRO 235 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3hot h GLU 236 N 0.00 0.55 -0.03 0.54 5.08 -1.89 -2.58 114.58 116.25 3hot h GLU 236 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hot h GLU 236 Cb 0.19 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hot h GLU 236 CO 0.00 0.36 0.00 0.66 -1.00 0.00 0.00 179.01 179.03 3hot n TYR 237 N -4.67 0.03 0.12 4.33 4.01 -1.17 -2.88 117.16 116.93 3hot n TYR 237 Ca 0.23 -0.02 -0.03 0.00 -0.16 0.00 0.00 57.90 57.92 3hot n TYR 237 Cb 0.70 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.83 3hot n TYR 237 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3hot h GLN 238 N 0.42 0.03 0.00 -0.72 1.08 -1.73 -3.46 115.11 110.73 3hot h GLN 238 Ca 0.00 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3hot h GLN 238 Cb 0.09 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3hot h GLN 238 CO 0.00 0.72 -0.57 -0.22 -0.95 0.00 0.00 178.83 177.81 3hot h LYS 239 N 0.02 0.00 -4.86 1.46 1.63 -1.74 -3.54 116.57 109.54 3hot h LYS 239 Ca -0.01 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 59.12 3hot h LYS 239 Cb 1.24 0.00 -0.37 0.00 -0.60 0.00 0.00 32.23 32.50 3hot h LYS 239 CO 0.09 0.11 -0.79 1.03 -3.45 0.00 0.00 179.45 176.44 3hot s ARG 243 N -3.19 2.21 -0.18 1.90 1.81 -1.26 -5.21 118.95 115.03 3hot s ARG 243 Ca 0.03 -1.37 -0.29 0.00 -1.72 0.00 0.00 55.73 52.37 3hot s ARG 243 Cb 0.07 -2.92 -0.00 0.00 -0.45 0.00 0.00 34.95 31.65 3hot s ARG 243 CO 0.74 -0.59 1.06 0.08 -0.68 0.00 0.00 175.30 175.91 3hot s VAL 244 N 1.10 4.64 -0.29 3.52 1.01 -1.26 -4.89 120.40 124.22 3hot s VAL 244 Ca -0.08 1.96 -0.21 0.00 0.00 0.00 0.00 61.98 63.65 3hot s VAL 244 Cb -0.20 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 3hot s VAL 244 CO -0.05 -0.11 0.67 -0.63 0.00 0.00 0.00 175.10 174.98 3hot s ILE 245 N 2.82 4.91 -0.25 2.22 -1.09 -0.62 -1.34 121.20 127.85 3hot s ILE 245 Ca 0.47 1.01 -0.12 0.00 -2.23 0.00 0.00 60.65 59.78 3hot s ILE 245 Cb -0.17 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 3hot s ILE 245 CO 0.11 -0.13 0.23 0.12 -1.23 0.00 0.00 174.94 174.05 3hot s PHE 246 N 2.67 3.29 -0.23 3.97 5.36 0.39 0.22 117.98 133.65 3hot s PHE 246 Ca 0.27 0.28 -0.03 0.00 -0.96 0.00 0.00 56.93 56.50 3hot s PHE 246 Cb -0.15 -2.38 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 3hot s PHE 246 CO 0.11 -0.04 -0.05 -1.17 -1.46 0.00 0.00 175.22 172.61 3hot s LEU 247 N 1.40 3.01 0.13 6.12 2.96 -0.15 -0.65 118.68 131.50 3hot s LEU 247 Ca 0.10 -0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 53.20 3hot s LEU 247 Cb -0.15 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 44.90 3hot s LEU 247 CO 0.07 -0.07 0.51 -1.38 -1.32 0.00 0.00 176.35 174.16 3hot s HIS 248 N 1.41 -0.39 0.25 5.38 -3.43 -1.26 -2.63 115.29 114.61 3hot s HIS 248 Ca 0.04 0.17 -0.18 0.00 -0.80 0.00 0.00 55.06 54.28 3hot s HIS 248 Cb -0.15 0.41 -0.08 0.00 -1.43 0.00 0.00 32.58 31.32 3hot s HIS 248 CO -0.04 -0.76 0.73 0.16 -2.00 0.00 0.00 174.74 172.82 3hot s ASP 249 N -2.66 6.98 0.00 7.38 -4.77 -1.26 -4.79 116.67 117.55 3hot s ASP 249 Ca 0.01 1.38 0.00 0.00 -3.30 0.00 0.00 52.55 50.64 3hot s ASP 249 Cb 0.00 -2.41 0.00 0.00 -1.09 0.00 0.00 42.92 39.43 3hot s ASP 249 CO -0.11 -0.03 0.00 0.59 0.70 0.00 0.00 175.17 176.32 3hot n ASN 250 N 0.44 0.00 -4.52 2.11 3.02 -1.26 -4.71 115.26 110.34 3hot n ASN 250 Ca -0.01 -0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 54.00 3hot n ASN 250 Cb 0.52 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.71 3hot n ASN 250 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hot n ALA 251 N 1.09 -0.68 0.07 5.41 0.00 -1.26 -4.76 120.51 120.38 3hot n ALA 251 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.52 3hot n ALA 251 Cb 0.00 -1.92 0.32 0.00 0.00 0.00 0.00 19.45 17.85 3hot n ALA 251 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hot h PRO 252 N 0.68 0.35 -0.14 0.00 0.13 -1.97 -0.58 132.00 130.46 3hot h PRO 252 Ca -0.45 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 3hot h PRO 252 Cb 1.38 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 3hot h PRO 252 CO 0.51 0.49 0.06 1.03 -0.23 0.00 0.00 178.00 179.85 3hot h SER 253 N 0.33 0.20 0.31 1.44 0.87 -1.89 -2.86 113.55 111.94 3hot h SER 253 Ca 0.06 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3hot h SER 253 Cb 0.44 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3hot h SER 253 CO 0.03 0.31 0.00 1.41 -0.53 0.00 0.00 176.83 178.04 3hot n HIS 254 N -4.88 0.00 0.53 2.24 8.25 -0.93 -3.46 115.22 116.96 3hot n HIS 254 Ca -0.05 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.47 3hot n HIS 254 Cb 0.12 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 31.00 3hot n HIS 254 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3hot n THR 255 N -1.25 0.00 -1.98 1.59 5.66 -0.27 -4.75 114.28 113.28 3hot n THR 255 Ca 0.10 -0.42 -0.39 0.00 -3.05 0.00 0.00 64.05 60.29 3hot n THR 255 Cb 0.14 1.19 0.01 0.00 -1.55 0.00 0.00 70.33 70.12 3hot n THR 255 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hot s ALA 256 N -1.35 3.05 0.27 1.79 0.00 -1.18 -4.80 121.76 119.55 3hot s ALA 256 Ca 0.12 1.23 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 3hot s ALA 256 Cb 0.10 -3.50 0.60 0.00 0.00 0.00 0.00 23.12 20.31 3hot s ALA 256 CO 0.25 -1.01 1.62 -0.09 0.00 0.00 0.00 175.76 176.53 3hot h ARG 257 N 2.10 0.11 -0.60 0.00 9.65 -1.94 -0.33 114.38 123.38 3hot h ARG 257 Ca -0.50 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 3hot h ARG 257 Cb 1.27 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.80 3hot h ARG 257 CO 0.60 0.07 0.22 0.00 2.80 0.00 0.00 179.97 183.66 3hot h ALA 258 N 1.80 0.78 -0.08 2.80 0.00 -1.97 -2.33 119.26 120.26 3hot h ALA 258 Ca 0.50 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3hot h ALA 258 Cb 0.97 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hot h ALA 258 CO -0.73 0.42 -0.12 0.28 0.00 0.00 0.00 179.25 179.10 3hot h VAL 259 N 0.84 1.40 -0.89 0.00 2.07 -1.60 0.24 116.25 118.31 3hot h VAL 259 Ca 0.20 -1.37 0.15 0.00 0.82 0.00 0.00 66.70 66.50 3hot h VAL 259 Cb 0.24 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 3hot h VAL 259 CO -0.01 0.38 0.57 0.03 0.02 0.00 0.00 177.57 178.56 3hot h ARG 260 N -0.25 0.63 0.00 1.57 3.08 -1.09 0.37 114.38 118.70 3hot h ARG 260 Ca 0.01 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3hot h ARG 260 Cb 0.67 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3hot h ARG 260 CO 0.03 0.42 -0.66 -0.44 -1.07 0.00 0.00 179.97 178.25 3hot h ASP 261 N 0.65 0.00 0.36 7.04 5.19 -1.31 -2.62 116.42 125.73 3hot h ASP 261 Ca 0.45 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.84 3hot h ASP 261 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 3hot h ASP 261 CO -0.20 0.36 -0.17 0.74 -3.12 0.00 0.00 179.24 176.84 3hot h THR 262 N 0.00 0.19 -0.85 0.35 2.02 0.13 -3.26 112.91 111.48 3hot h THR 262 Ca -0.04 -0.70 0.19 0.00 0.77 0.00 0.00 66.41 66.64 3hot h THR 262 Cb 1.31 0.31 -0.16 0.00 -1.74 0.00 0.00 68.15 67.87 3hot h THR 262 CO 0.04 0.05 -0.10 -0.07 0.37 0.00 0.00 175.52 175.80 3hot h LEU 263 N -1.08 -0.61 -0.62 2.58 3.38 -0.49 -1.97 115.31 116.50 3hot h LEU 263 Ca -0.05 0.24 0.12 0.00 0.09 0.00 0.00 57.88 58.29 3hot h LEU 263 Cb 0.45 0.47 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 3hot h LEU 263 CO 0.08 -0.27 -0.16 -0.08 0.09 0.00 0.00 178.44 178.10 3hot h GLU 264 N 0.03 -0.01 -0.80 1.13 4.81 -1.52 0.18 114.58 118.40 3hot h GLU 264 Ca 0.45 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.65 3hot h GLU 264 Cb 0.77 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3hot h GLU 264 CO -0.83 -0.01 0.04 0.25 -0.73 0.00 0.00 179.01 177.73 3hot n THR 265 N -5.43 1.52 0.30 0.32 -2.24 -0.76 -1.56 114.28 106.44 3hot n THR 265 Ca 0.07 -0.76 0.10 0.00 -2.27 0.00 0.00 64.05 61.19 3hot n THR 265 Cb 0.33 -0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 68.00 3hot n THR 265 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hot n LEU 266 N 0.26 0.31 -3.35 3.22 4.32 0.58 -5.03 117.00 117.30 3hot n LEU 266 Ca 0.16 -0.17 -0.16 0.00 -0.02 0.00 0.00 56.01 55.82 3hot n LEU 266 Cb 0.79 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.67 3hot n LEU 266 CO 0.19 0.08 0.09 -3.20 -1.22 0.00 0.00 177.39 173.33 3hot n ASN 267 N -1.94 -2.83 -4.66 -1.43 2.85 -0.60 -5.05 115.26 101.59 3hot n ASN 267 Ca -0.01 -0.62 -0.35 0.00 -0.11 0.00 0.00 54.58 53.49 3hot n ASN 267 Cb 0.44 -5.04 -0.10 0.00 1.24 0.00 0.00 39.78 36.32 3hot n ASN 267 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 3hot s TRP 268 N -3.36 3.11 -0.13 1.20 0.51 -1.24 -4.55 118.94 114.48 3hot s TRP 268 Ca 0.08 0.15 -0.27 0.00 -2.12 0.00 0.00 56.10 53.94 3hot s TRP 268 Cb -0.01 -1.76 -0.02 0.00 -0.81 0.00 0.00 33.47 30.87 3hot s TRP 268 CO 0.72 0.44 0.88 -2.00 -0.51 0.00 0.00 176.95 176.47 3hot s GLU 269 N -0.92 4.37 -0.46 4.98 2.12 -0.45 -4.82 118.70 123.51 3hot s GLU 269 Ca 0.14 1.14 -0.21 0.00 0.36 0.00 0.00 54.97 56.40 3hot s GLU 269 Cb -0.11 -3.54 0.03 0.00 0.26 0.00 0.00 34.13 30.77 3hot s GLU 269 CO 0.03 -0.26 0.66 0.14 -0.54 0.00 0.00 175.26 175.29 3hot s VAL 270 N 1.88 4.80 0.30 3.70 -7.23 -1.26 0.15 120.40 122.73 3hot s VAL 270 Ca 0.42 -0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.29 3hot s VAL 270 Cb -0.17 -4.25 -0.12 0.00 0.56 0.00 0.00 36.38 32.39 3hot s VAL 270 CO 0.16 -0.68 1.45 0.18 -0.31 0.00 0.00 175.10 175.89 3hot n LEU 271 N 6.34 3.81 -4.77 1.32 4.77 0.17 -4.92 117.00 123.72 3hot n LEU 271 Ca -0.02 1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 56.73 3hot n LEU 271 Cb 0.47 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 3hot n LEU 271 CO 0.55 -0.21 1.03 -2.16 -1.33 0.00 0.00 177.39 175.27 3hot s PRO 272 N -0.98 3.95 -0.25 3.23 0.04 -1.26 -4.73 135.00 135.00 3hot s PRO 272 Ca 0.62 2.33 -0.03 0.00 0.04 0.00 0.00 61.00 63.96 3hot s PRO 272 Cb -0.56 -2.81 0.10 0.00 0.04 0.00 0.00 34.50 31.28 3hot s PRO 272 CO 0.54 -0.57 0.20 -1.58 0.04 0.00 0.00 177.00 175.63 3hot s HIS 273 N -1.20 -0.07 0.21 0.56 2.46 -1.26 -5.02 115.29 110.98 3hot s HIS 273 Ca 0.56 -0.34 -0.31 0.00 0.47 0.00 0.00 55.06 55.44 3hot s HIS 273 Cb -0.42 -0.62 -0.15 0.00 -0.13 0.00 0.00 32.58 31.26 3hot s HIS 273 CO 0.55 -0.77 1.09 0.00 -2.47 0.00 0.00 174.74 173.15 3hot n ALA 274 N 5.29 -0.62 -1.76 1.58 0.00 -1.26 -4.56 120.51 119.17 3hot n ALA 274 Ca -0.05 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.44 3hot n ALA 274 Cb 0.46 -2.02 0.01 0.00 0.00 0.00 0.00 19.45 17.90 3hot n ALA 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hot s ALA 275 N -0.50 3.10 -1.25 0.00 0.00 -1.26 -3.34 121.76 118.50 3hot s ALA 275 Ca 0.68 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.84 3hot s ALA 275 Cb -0.80 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 18.82 3hot s ALA 275 CO 0.55 -0.95 0.78 0.66 0.00 0.00 0.00 175.76 176.80 3hot n TYR 276 N -0.29 -2.00 -2.96 0.00 4.02 -1.26 -4.94 117.16 109.73 3hot n TYR 276 Ca 0.06 0.83 -0.21 0.00 -0.01 0.00 0.00 57.90 58.57 3hot n TYR 276 Cb 0.45 -4.43 -0.02 0.00 -0.02 0.00 0.00 39.34 35.31 3hot n TYR 276 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3hot n SER 277 N -3.06 2.63 0.20 7.72 7.64 -1.21 -4.92 113.62 122.62 3hot n SER 277 Ca -0.27 -3.29 0.06 0.00 1.01 0.00 0.00 58.87 56.38 3hot n SER 277 Cb 0.67 -0.57 0.38 0.00 -1.01 0.00 0.00 64.21 63.67 3hot n SER 277 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3hot h PRO 278 N 2.95 0.00 0.00 1.43 0.13 -1.92 0.13 132.00 134.72 3hot h PRO 278 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hot h PRO 278 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3hot h PRO 278 CO 0.65 0.35 0.00 -0.40 -0.23 0.00 0.00 178.00 178.37 3hot n ASP 279 N -3.61 0.00 -0.00 1.44 5.75 -1.26 -2.44 116.55 116.43 3hot n ASP 279 Ca -0.01 0.35 0.08 0.00 -0.01 0.00 0.00 54.79 55.21 3hot n ASP 279 Cb 0.47 -0.42 -0.10 0.00 -1.03 0.00 0.00 41.12 40.04 3hot n ASP 279 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3hot n LEU 280 N -1.42 0.76 -4.29 -2.12 7.99 0.45 -4.88 117.00 113.49 3hot n LEU 280 Ca 0.04 -0.47 -0.35 0.00 -0.01 0.00 0.00 56.01 55.22 3hot n LEU 280 Cb 0.12 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.29 3hot n LEU 280 CO 0.10 0.19 -0.36 0.00 -1.51 0.00 0.00 177.39 175.80 3hot s ALA 281 N -2.68 2.85 0.20 -1.18 0.00 -1.02 -5.02 121.76 114.91 3hot s ALA 281 Ca 0.06 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.59 3hot s ALA 281 Cb 0.13 -1.81 0.24 0.00 0.00 0.00 0.00 23.12 21.68 3hot s ALA 281 CO 0.71 -0.67 1.77 -1.35 0.00 0.00 0.00 175.76 176.22 3hot h PRO 282 N 8.11 0.49 -0.92 0.00 0.11 -1.90 0.17 132.00 138.05 3hot h PRO 282 Ca -0.36 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.87 3hot h PRO 282 Cb 1.14 -0.11 -0.16 0.00 0.11 0.00 0.00 31.00 31.98 3hot h PRO 282 CO 0.59 0.33 -0.33 0.43 -0.21 0.00 0.00 178.00 178.81 3hot n SER 283 N -4.91 -0.54 0.00 -2.05 7.64 -1.26 -0.82 113.62 111.67 3hot n SER 283 Ca 0.08 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.57 3hot n SER 283 Cb 0.22 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3hot n SER 283 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hot n ASP 284 N -5.40 0.00 0.31 6.43 8.00 0.04 -1.74 116.55 124.19 3hot n ASP 284 Ca 0.11 0.40 0.18 0.00 0.71 0.00 0.00 54.79 56.20 3hot n ASP 284 Cb 0.39 -0.12 0.99 0.00 -0.02 0.00 0.00 41.12 42.36 3hot n ASP 284 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3hot h TYR 285 N 0.00 0.00 0.00 1.24 -0.00 -1.51 -2.84 116.97 113.86 3hot h TYR 285 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.63 3hot h TYR 285 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.71 3hot h TYR 285 CO 0.03 0.00 -1.08 1.58 -0.00 0.00 0.00 178.16 178.69 3hot n HIS 286 N -2.88 0.00 0.09 0.10 -0.00 -0.00 -4.52 115.22 108.01 3hot n HIS 286 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.61 3hot n HIS 286 Cb 0.18 -0.29 -0.06 0.00 -0.00 0.00 0.00 29.99 29.83 3hot n HIS 286 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3hot h LEU 287 N -0.36 -0.27 -0.91 0.27 5.85 -1.26 -2.22 115.31 116.40 3hot h LEU 287 Ca -0.15 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 3hot h LEU 287 Cb 0.88 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3hot h LEU 287 CO -0.09 0.23 0.03 -0.26 -0.34 0.00 0.00 178.44 178.01 3hot h PHE 288 N -0.99 0.88 -0.78 1.25 0.04 -1.35 -1.79 116.94 114.19 3hot h PHE 288 Ca -0.03 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.64 3hot h PHE 288 Cb 0.44 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 3hot h PHE 288 CO 0.05 0.80 0.52 0.00 -0.60 0.00 0.00 178.31 179.07 3hot h ALA 289 N 1.25 1.50 -0.52 2.45 0.00 -1.58 1.84 119.26 124.19 3hot h ALA 289 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hot h ALA 289 Cb 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hot h ALA 289 CO 0.02 0.44 -0.04 1.03 0.00 0.00 0.00 179.25 180.69 3hot h SER 290 N 1.00 0.89 -0.06 0.00 0.87 -0.73 -3.07 113.55 112.44 3hot h SER 290 Ca 0.30 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3hot h SER 290 Cb -0.02 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 3hot h SER 290 CO -0.08 0.97 -0.01 -0.03 -0.53 0.00 0.00 176.83 177.16 3hot h MET 291 N 0.83 0.12 -0.75 2.24 -1.53 0.03 -3.19 114.93 112.68 3hot h MET 291 Ca 0.15 -0.04 0.15 0.00 -3.44 0.00 0.00 59.70 56.51 3hot h MET 291 Cb 0.55 -0.01 -0.14 0.00 -0.55 0.00 0.00 31.60 31.45 3hot h MET 291 CO 0.03 0.42 -0.19 0.41 0.14 0.00 0.00 176.91 177.73 3hot n GLY 292 N -0.18 -1.26 0.12 1.39 0.00 0.60 -0.85 105.19 105.01 3hot n GLY 292 Ca -0.07 0.80 -0.05 0.00 0.00 0.00 0.00 46.02 46.70 3hot n GLY 292 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hot h HIS 293 N 0.00 -0.28 0.00 1.61 3.86 -1.60 -3.25 115.15 115.50 3hot h HIS 293 Ca 0.36 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3hot h HIS 293 Cb 0.54 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.10 3hot h HIS 293 CO -0.58 -0.17 0.00 0.00 0.86 0.00 0.00 177.93 178.04 3hot n ALA 294 N -2.20 1.68 0.01 2.45 0.00 -0.03 -0.77 120.51 121.66 3hot n ALA 294 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.50 3hot n ALA 294 Cb 0.12 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 3hot n ALA 294 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hot n LEU 295 N -0.50 0.23 -4.54 0.00 4.77 -0.62 -4.92 117.00 111.42 3hot n LEU 295 Ca 0.00 0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.67 3hot n LEU 295 Cb 0.00 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3hot n LEU 295 CO 0.00 -0.02 0.36 0.00 -1.33 0.00 0.00 177.39 176.40 3hot n ALA 296 N -2.27 -0.50 -0.02 -1.18 0.00 0.05 -1.97 120.51 114.62 3hot n ALA 296 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3hot n ALA 296 Cb 0.60 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3hot n ALA 296 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hot n GLU 297 N 0.08 0.00 -2.44 0.00 2.13 -1.00 -4.88 120.64 114.53 3hot n GLU 297 Ca 0.11 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.57 3hot n GLU 297 Cb 0.42 -3.63 -0.03 0.00 0.27 0.00 0.00 31.44 28.47 3hot n GLU 297 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3hot s GLN 298 N -0.02 3.91 0.06 5.31 2.00 -0.83 -4.96 119.66 125.13 3hot s GLN 298 Ca 0.00 1.57 0.08 0.00 -2.00 0.00 0.00 55.36 55.01 3hot s GLN 298 Cb 0.00 -2.37 -0.03 0.00 0.80 0.00 0.00 33.01 31.41 3hot s GLN 298 CO 0.00 -0.38 -0.21 1.03 -0.50 0.00 0.00 175.29 175.23 3hot s ARG 299 N -2.76 1.34 -0.26 1.67 0.52 -1.26 -3.80 118.95 114.40 3hot s ARG 299 Ca 0.63 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 3hot s ARG 299 Cb -0.23 -1.51 0.07 0.00 0.52 0.00 0.00 34.95 33.80 3hot s ARG 299 CO 0.28 0.38 -0.00 -0.06 0.02 0.00 0.00 175.30 175.91 3hot s PHE 300 N -0.91 2.25 0.19 -0.53 0.08 -0.33 -4.99 117.98 113.74 3hot s PHE 300 Ca 0.08 -1.78 0.02 0.00 0.12 0.00 0.00 56.93 55.37 3hot s PHE 300 Cb -0.09 -1.69 0.10 0.00 -0.57 0.00 0.00 43.02 40.77 3hot s PHE 300 CO 0.03 -0.79 1.46 0.38 -0.10 0.00 0.00 175.22 176.19 3hot h ASP 301 N 7.98 0.33 -5.15 1.36 3.04 -2.00 -3.46 116.42 118.52 3hot h ASP 301 Ca -0.15 -0.22 -0.08 0.00 -3.24 0.00 0.00 57.03 53.33 3hot h ASP 301 Cb 1.06 -0.10 -0.14 0.00 -1.04 0.00 0.00 39.33 39.12 3hot h ASP 301 CO 0.43 0.95 -0.33 -0.94 -2.04 0.00 0.00 179.24 177.30 3hot s SER 302 N -6.93 0.08 0.63 4.15 1.04 -1.26 -5.05 113.70 106.36 3hot s SER 302 Ca -0.04 -0.62 0.37 0.00 0.48 0.00 0.00 55.95 56.14 3hot s SER 302 Cb 0.11 0.36 2.07 0.00 0.10 0.00 0.00 66.02 68.66 3hot s SER 302 CO 0.82 -0.75 2.26 0.22 0.98 0.00 0.00 173.24 176.77 3hot h TYR 303 N 2.70 0.00 0.00 5.02 3.20 -2.01 -0.71 116.97 125.16 3hot h TYR 303 Ca -0.34 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.44 3hot h TYR 303 Cb 1.21 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 3hot h TYR 303 CO 0.41 0.00 -0.45 0.93 -1.64 0.00 0.00 178.16 177.41 3hot h GLU 304 N 0.00 0.00 -0.46 1.82 4.39 -2.00 -2.96 114.58 115.37 3hot h GLU 304 Ca 0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 3hot h GLU 304 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3hot h GLU 304 CO -0.00 0.45 -0.26 0.77 -1.16 0.00 0.00 179.01 178.81 3hot h SER 305 N 0.00 1.03 -0.49 1.42 0.02 -1.55 -1.15 113.55 112.83 3hot h SER 305 Ca -0.00 -0.41 -0.10 0.00 -0.84 0.00 0.00 61.79 60.43 3hot h SER 305 Cb 1.18 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 3hot h SER 305 CO 0.06 1.22 -0.07 0.58 -1.14 0.00 0.00 176.83 177.48 3hot h VAL 306 N 0.84 1.26 0.40 2.27 2.07 -1.53 1.09 116.25 122.66 3hot h VAL 306 Ca 0.10 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3hot h VAL 306 Cb 0.85 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3hot h VAL 306 CO 0.07 0.42 -0.29 0.11 0.02 0.00 0.00 177.57 177.90 3hot h LYS 307 N 0.86 -0.65 -0.52 1.57 1.79 -1.51 0.15 116.57 118.25 3hot h LYS 307 Ca 0.15 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.77 3hot h LYS 307 Cb 0.60 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 31.29 3hot h LYS 307 CO 0.04 -0.44 -0.19 -0.22 -1.08 0.00 0.00 179.45 177.56 3hot h LYS 308 N -0.68 -0.06 -0.38 3.15 1.63 -0.29 -1.85 116.57 118.08 3hot h LYS 308 Ca -0.04 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.65 3hot h LYS 308 Cb 0.58 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 3hot h LYS 308 CO 0.01 -0.04 -0.25 2.35 -3.45 0.00 0.00 179.45 178.07 3hot h TRP 309 N -0.07 0.89 -0.33 1.91 7.01 0.13 -3.13 115.95 122.35 3hot h TRP 309 Ca 0.25 -0.21 0.01 0.00 2.11 0.00 0.00 58.89 61.05 3hot h TRP 309 Cb 0.45 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.28 3hot h TRP 309 CO -0.49 0.94 0.20 -0.07 -2.79 0.00 0.00 178.44 176.24 3hot h LEU 310 N 0.67 0.34 0.13 0.65 -0.00 -0.12 -3.02 115.31 113.97 3hot h LEU 310 Ca 0.09 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 3hot h LEU 310 Cb 0.76 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 3hot h LEU 310 CO 0.06 0.24 -0.06 0.44 -0.00 0.00 0.00 178.44 179.12 3hot h ASP 311 N 0.42 -0.15 -0.91 -0.43 3.45 -1.47 0.81 116.42 118.13 3hot h ASP 311 Ca 0.13 -0.18 0.25 0.00 0.43 0.00 0.00 57.03 57.65 3hot h ASP 311 Cb -0.02 0.04 -0.14 0.00 -0.56 0.00 0.00 39.33 38.66 3hot h ASP 311 CO -0.05 0.10 0.35 -0.33 -1.57 0.00 0.00 179.24 177.74 3hot h GLU 312 N -0.41 0.29 0.33 3.56 5.08 -1.61 0.05 114.58 121.87 3hot h GLU 312 Ca -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hot h GLU 312 Cb 0.33 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3hot h GLU 312 CO 0.03 0.19 -0.16 2.35 -1.00 0.00 0.00 179.01 180.42 3hot h TRP 313 N 0.30 -0.41 -0.66 4.33 7.01 -1.34 -1.99 115.95 123.19 3hot h TRP 313 Ca 0.59 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.72 3hot h TRP 313 Cb 1.20 0.13 -0.11 0.00 -2.10 0.00 0.00 29.16 28.28 3hot h TRP 313 CO -0.17 -0.25 -0.01 0.74 -2.79 0.00 0.00 178.44 175.95 3hot h PHE 314 N -0.87 -0.07 0.00 2.65 0.04 -0.55 0.17 116.94 118.32 3hot h PHE 314 Ca -0.04 0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3hot h PHE 314 Cb 0.34 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3hot h PHE 314 CO 0.02 -0.20 -0.26 0.00 -0.60 0.00 0.00 178.31 177.28 3hot h ALA 315 N 1.61 1.03 0.00 2.45 0.00 -1.12 -3.21 119.26 120.03 3hot h ALA 315 Ca 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hot h ALA 315 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hot h ALA 315 CO -0.58 0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.99 3hot h ALA 316 N 1.74 1.00 -2.74 0.00 0.00 0.14 -3.44 119.26 115.96 3hot h ALA 316 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 3hot h ALA 316 Cb 0.76 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3hot h ALA 316 CO 0.03 0.00 0.04 0.15 0.00 0.00 0.00 179.25 179.48 3hot s LYS 317 N -3.29 4.42 0.38 0.00 -0.14 -1.04 -5.05 119.74 115.02 3hot s LYS 317 Ca 0.06 0.80 -0.25 0.00 -1.36 0.00 0.00 55.97 55.23 3hot s LYS 317 Cb 0.09 -3.44 -0.09 0.00 -1.68 0.00 0.00 37.83 32.70 3hot s LYS 317 CO 0.58 0.09 1.05 0.34 -0.76 0.00 0.00 175.35 176.65 3hot s ASP 318 N 0.74 6.83 0.32 2.83 -1.08 -1.26 -4.91 116.67 120.14 3hot s ASP 318 Ca 0.35 2.04 0.25 0.00 -0.52 0.00 0.00 52.55 54.67 3hot s ASP 318 Cb -0.17 -2.59 1.09 0.00 -1.46 0.00 0.00 42.92 39.78 3hot s ASP 318 CO 0.17 -0.44 1.11 0.47 0.52 0.00 0.00 175.17 177.00 3hot n ASP 319 N 0.07 0.13 -0.09 -0.34 10.43 -1.26 0.94 116.55 126.44 3hot n ASP 319 Ca 0.04 0.95 -0.08 0.00 2.57 0.00 0.00 54.79 58.27 3hot n ASP 319 Cb 0.49 -0.47 -0.02 0.00 1.84 0.00 0.00 41.12 42.96 3hot n ASP 319 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 3hot h GLU 320 N 0.00 -0.28 -0.73 -1.24 4.57 -1.91 0.89 114.58 115.88 3hot h GLU 320 Ca 0.63 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.96 3hot h GLU 320 Cb 2.11 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 30.67 3hot h GLU 320 CO -0.29 -0.19 0.30 0.35 -1.18 0.00 0.00 179.01 178.00 3hot h PHE 321 N -0.29 0.51 0.41 0.92 3.57 0.21 0.13 116.94 122.41 3hot h PHE 321 Ca 0.15 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3hot h PHE 321 Cb 0.54 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3hot h PHE 321 CO -0.50 0.09 -0.20 1.88 -2.23 0.00 0.00 178.31 177.35 3hot h TYR 322 N 0.46 -0.51 -0.90 0.41 -1.99 -1.52 -2.44 116.97 110.48 3hot h TYR 322 Ca 0.39 -0.01 0.18 0.00 2.00 0.00 0.00 58.73 61.29 3hot h TYR 322 Cb 0.56 0.17 -0.17 0.00 2.00 0.00 0.00 36.73 39.29 3hot h TYR 322 CO -0.16 -0.27 -0.22 2.35 -0.00 0.00 0.00 178.16 179.86 3hot h TRP 323 N -1.11 -0.47 -0.27 4.88 7.01 0.16 0.35 115.95 126.51 3hot h TRP 323 Ca -0.06 0.08 0.06 0.00 2.11 0.00 0.00 58.89 61.08 3hot h TRP 323 Cb 0.48 0.35 -0.05 0.00 -2.10 0.00 0.00 29.16 27.83 3hot h TRP 323 CO 0.01 -0.39 -0.09 0.00 -2.79 0.00 0.00 178.44 175.19 3hot h ARG 324 N 0.00 -0.03 -0.64 2.65 3.08 -0.77 -0.46 114.38 118.21 3hot h ARG 324 Ca 0.44 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.61 3hot h ARG 324 Cb 0.67 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.63 3hot h ARG 324 CO -0.93 -0.02 0.14 0.78 -1.07 0.00 0.00 179.97 178.88 3hot h GLY 325 N -0.03 0.84 1.57 0.04 0.00 0.19 -0.59 103.07 105.09 3hot h GLY 325 Ca 0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 47.33 47.25 3hot h GLY 325 CO -0.29 -0.14 -0.73 -2.22 0.00 0.00 0.00 176.54 173.16 3hot h ILE 326 N 0.27 1.37 0.00 2.60 2.04 -1.11 -3.19 117.51 119.49 3hot h ILE 326 Ca 0.35 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 64.08 3hot h ILE 326 Cb 0.53 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 3hot h ILE 326 CO -0.43 0.64 0.00 1.41 0.00 0.00 0.00 178.15 179.77 3hot n HIS 327 N -3.84 0.00 0.30 1.37 8.25 -0.21 -2.14 115.22 118.95 3hot n HIS 327 Ca -0.04 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.57 3hot n HIS 327 Cb 0.71 -0.30 0.52 0.00 1.12 0.00 0.00 29.99 32.04 3hot n HIS 327 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3hot h LYS 328 N 0.00 0.00 -0.59 -0.41 1.57 -1.29 -3.37 116.57 112.48 3hot h LYS 328 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 3hot h LYS 328 Cb 0.24 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.44 3hot h LYS 328 CO 0.00 0.00 -0.16 -0.07 -0.57 0.00 0.00 179.45 178.65 3hot h LEU 329 N 0.00 -0.59 -0.23 2.94 -0.00 -1.63 -2.10 115.31 113.70 3hot h LEU 329 Ca 0.00 0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 58.05 3hot h LEU 329 Cb 0.62 0.38 -0.01 0.00 -0.00 0.00 0.00 40.66 41.65 3hot h LEU 329 CO 0.00 -0.21 0.10 -0.65 -0.00 0.00 0.00 178.44 177.69 3hot h PRO 330 N -0.02 0.33 0.00 1.13 0.11 -1.83 -0.80 132.00 130.92 3hot h PRO 330 Ca 0.28 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 3hot h PRO 330 Cb 0.45 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3hot h PRO 330 CO -0.61 0.35 -0.01 1.05 -0.21 0.00 0.00 178.00 178.56 3hot h GLU 331 N 0.23 0.00 0.23 1.05 4.11 -1.71 0.32 114.58 118.80 3hot h GLU 331 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 3hot h GLU 331 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hot h GLU 331 CO -0.01 0.01 -0.11 0.00 0.07 0.00 0.00 179.01 178.98 3hot h ARG 332 N 0.00 -0.30 -0.56 1.06 3.08 -0.72 -2.68 114.38 114.27 3hot h ARG 332 Ca -0.00 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.15 3hot h ARG 332 Cb 0.18 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 3hot h ARG 332 CO 0.00 0.05 0.21 -1.49 -1.07 0.00 0.00 179.97 177.68 3hot h TRP 333 N -0.93 0.38 -0.76 3.04 6.55 -0.49 0.20 115.95 123.94 3hot h TRP 333 Ca -0.03 0.03 0.16 0.00 0.95 0.00 0.00 58.89 59.99 3hot h TRP 333 Cb 0.49 -0.08 -0.14 0.00 -0.86 0.00 0.00 29.16 28.56 3hot h TRP 333 CO 0.06 0.12 -0.15 1.49 -1.05 0.00 0.00 178.44 178.90 3hot h GLU 334 N 0.40 0.02 0.39 0.49 4.57 -0.49 0.21 114.58 120.17 3hot h GLU 334 Ca 0.27 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 3hot h GLU 334 Cb 0.30 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3hot h GLU 334 CO -0.26 0.01 -0.19 0.87 -1.18 0.00 0.00 179.01 178.26 3hot h LYS 335 N 0.02 -0.50 -1.12 1.92 1.57 -0.51 -3.04 116.57 114.91 3hot h LYS 335 Ca 0.37 0.03 0.37 0.00 -1.87 0.00 0.00 60.65 59.56 3hot h LYS 335 Cb 0.59 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.92 3hot h LYS 335 CO -0.76 -0.33 0.74 0.00 -0.57 0.00 0.00 179.45 178.52 3hot h VAL 337 N 0.00 1.22 -0.37 0.00 3.04 -0.84 -0.19 116.25 119.10 3hot h VAL 337 Ca 0.67 -1.44 -0.08 0.00 -1.01 0.00 0.00 66.70 64.83 3hot h VAL 337 Cb 2.26 2.10 -0.05 0.00 -2.01 0.00 0.00 31.29 33.59 3hot h VAL 337 CO -0.29 0.33 0.11 0.00 -1.01 0.00 0.00 177.57 176.71 3hot n ALA 338 N -2.52 3.52 0.12 3.17 0.00 -0.28 -1.58 120.51 122.95 3hot n ALA 338 Ca -0.08 -1.18 0.05 0.00 0.00 0.00 0.00 53.44 52.23 3hot n ALA 338 Cb 0.31 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 3hot n ALA 338 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hot n SER 339 N 0.12 2.09 -0.11 0.00 7.64 -0.72 -4.99 113.62 117.65 3hot n SER 339 Ca 0.20 -0.21 -0.01 0.00 1.01 0.00 0.00 58.87 59.86 3hot n SER 339 Cb 0.87 1.32 -0.01 0.00 -1.01 0.00 0.00 64.21 65.39 3hot n SER 339 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hot n ASP 340 N -1.67 -3.36 0.00 6.43 9.92 -0.61 -3.68 116.55 123.58 3hot n ASP 340 Ca -0.01 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 3hot n ASP 340 Cb 0.23 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 3hot n ASP 340 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hot n GLY 341 N -2.57 0.63 3.76 0.44 0.00 -0.10 -4.38 105.19 102.96 3hot n GLY 341 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3hot n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hot s LYS 342 N -0.64 4.20 -0.26 1.61 1.02 -1.24 -4.82 119.74 119.61 3hot s LYS 342 Ca 0.00 2.43 -0.42 0.00 0.02 0.00 0.00 55.97 58.00 3hot s LYS 342 Cb 0.00 -3.04 -0.18 0.00 -0.52 0.00 0.00 37.83 34.09 3hot s LYS 342 CO 0.00 -0.46 1.54 0.66 -0.92 0.00 0.00 175.35 176.17 3hot n TYR 343 N 1.46 1.67 -1.90 3.18 4.02 -1.26 -4.85 117.16 119.48 3hot n TYR 343 Ca 0.04 0.84 -0.31 0.00 -0.01 0.00 0.00 57.90 58.46 3hot n TYR 343 Cb 0.40 -2.31 0.01 0.00 -0.02 0.00 0.00 39.34 37.42 3hot n TYR 343 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 3hot s PHE 344 N 2.38 3.61 -2.17 -0.72 -0.12 -1.26 -5.12 117.98 114.58 3hot s PHE 344 Ca 0.97 1.26 0.31 0.00 -0.05 0.00 0.00 56.93 59.42 3hot s PHE 344 Cb -1.23 -2.73 1.62 0.00 -0.63 0.00 0.00 43.02 40.05 3hot s PHE 344 CO 0.67 -0.71 2.06 -1.91 -0.05 0.00 0.00 175.22 175.29