#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6s s PRO 2 N 0.00 3.00 0.36 3.23 0.04 -1.26 -4.95 135.00 135.42 3h6s s PRO 2 Ca 0.00 1.25 0.19 0.00 0.04 0.00 0.00 61.00 62.48 3h6s s PRO 2 Cb 0.00 -1.99 0.40 0.00 0.04 0.00 0.00 34.50 32.95 3h6s s PRO 2 CO 0.00 -1.07 1.60 0.87 0.04 0.00 0.00 177.00 178.44 3h6s h LYS 3 N 0.04 0.00 -4.35 4.56 1.57 -2.00 -3.45 116.57 112.94 3h6s h LYS 3 Ca -0.46 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 3h6s h LYS 3 Cb 1.23 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.38 3h6s h LYS 3 CO 0.56 0.32 -0.69 -1.12 -0.57 0.00 0.00 179.45 177.95 3h6s s SER 4 N -6.32 0.67 -0.25 0.86 0.01 -1.26 -4.38 113.70 103.02 3h6s s SER 4 Ca 0.03 -0.90 -0.18 0.00 1.31 0.00 0.00 55.95 56.21 3h6s s SER 4 Cb 0.08 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.52 3h6s s SER 4 CO 0.70 -0.49 0.64 -0.69 0.41 0.00 0.00 173.24 173.80 3h6s s VAL 5 N -3.32 -0.00 -0.33 3.43 1.01 -0.31 -4.97 120.40 115.91 3h6s s VAL 5 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3h6s s VAL 5 Cb 0.03 -0.90 0.15 0.00 0.00 0.00 0.00 36.38 35.66 3h6s s VAL 5 CO -0.07 0.00 0.35 -0.62 0.00 0.00 0.00 175.10 174.76 3h6s s ASP 6 N 0.97 1.32 0.64 3.32 -1.08 -1.26 -1.88 116.67 118.70 3h6s s ASP 6 Ca -0.05 -1.16 0.37 0.00 -0.52 0.00 0.00 52.55 51.19 3h6s s ASP 6 Cb -0.05 0.58 2.07 0.00 -1.46 0.00 0.00 42.92 44.06 3h6s s ASP 6 CO -0.09 -0.32 2.24 -0.50 0.52 0.00 0.00 175.17 177.02 3h6s h TRP 7 N 7.63 0.00 -0.04 -5.34 4.06 -1.31 -1.28 115.95 119.66 3h6s h TRP 7 Ca -0.03 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.87 3h6s h TRP 7 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 3h6s h TRP 7 CO 0.30 0.00 -0.20 0.00 -3.56 0.00 0.00 178.44 174.98 3h6s h ARG 8 N 0.00 0.06 0.00 0.49 3.08 -1.94 -0.69 114.38 115.37 3h6s h ARG 8 Ca 0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3h6s h ARG 8 Cb 0.18 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3h6s h ARG 8 CO -0.00 0.26 -0.09 0.87 -1.07 0.00 0.00 179.97 179.94 3h6s h LYS 9 N 0.06 0.00 -0.17 0.04 1.57 -1.62 -2.92 116.57 113.53 3h6s h LYS 9 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3h6s h LYS 9 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3h6s h LYS 9 CO 0.03 0.09 0.00 1.63 -0.57 0.00 0.00 179.45 180.63 3h6s n LYS 10 N -3.47 2.39 -0.80 3.15 4.01 -0.28 -4.95 118.16 118.21 3h6s n LYS 10 Ca -0.01 -2.05 0.00 0.00 -0.51 0.00 0.00 58.31 55.73 3h6s n LYS 10 Cb 0.24 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.28 3h6s n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3h6s n GLY 11 N 1.41 0.57 0.01 0.72 0.00 -1.10 -4.92 105.19 101.87 3h6s n GLY 11 Ca 0.16 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 46.01 3h6s n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h6s n TYR 12 N -2.80 0.00 -4.93 1.61 4.02 -1.11 -4.79 117.16 109.16 3h6s n TYR 12 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 3h6s n TYR 12 Cb 0.00 -0.41 -0.17 0.00 -0.02 0.00 0.00 39.34 38.74 3h6s n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h6s s VAL 13 N -2.94 1.98 0.83 -0.72 1.01 -1.26 -3.57 120.40 115.73 3h6s s VAL 13 Ca 0.15 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 3h6s s VAL 13 Cb 0.19 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.92 3h6s s VAL 13 CO 0.56 0.54 1.15 0.42 0.00 0.00 0.00 175.10 177.77 3h6s s THR 14 N 0.58 2.22 0.73 3.92 -4.23 -1.26 -4.98 115.64 112.62 3h6s s THR 14 Ca -0.13 0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.30 3h6s s THR 14 Cb -0.17 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.73 3h6s s THR 14 CO 0.04 -0.09 1.20 -2.84 -0.54 0.00 0.00 174.62 172.38 3h6s s PRO 15 N -5.45 2.14 0.23 3.99 0.02 -1.26 -4.92 135.00 129.76 3h6s s PRO 15 Ca 0.62 1.72 -0.32 0.00 0.02 0.00 0.00 61.00 63.04 3h6s s PRO 15 Cb -0.12 -1.84 -0.13 0.00 0.02 0.00 0.00 34.50 32.43 3h6s s PRO 15 CO 0.51 -1.82 1.48 0.28 -0.33 0.00 0.00 177.00 177.12 3h6s n VAL 16 N -2.76 0.76 -3.69 3.83 0.31 -1.26 -5.03 118.33 110.49 3h6s n VAL 16 Ca 0.13 -0.19 -0.23 0.00 -0.01 0.00 0.00 64.34 64.04 3h6s n VAL 16 Cb 0.50 -1.59 -0.01 0.00 -0.91 0.00 0.00 33.84 31.83 3h6s n VAL 16 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3h6s s LYS 17 N -0.14 2.37 -0.17 5.55 1.02 -1.26 -4.62 119.74 122.49 3h6s s LYS 17 Ca 0.70 -1.77 -0.00 0.00 0.02 0.00 0.00 55.97 54.91 3h6s s LYS 17 Cb -0.62 -2.26 0.04 0.00 -0.52 0.00 0.00 37.83 34.47 3h6s s LYS 17 CO 0.47 -0.43 -0.06 1.21 -0.92 0.00 0.00 175.35 175.62 3h6s s ASN 18 N -4.23 2.92 0.40 2.83 3.84 -1.26 -1.14 114.94 118.30 3h6s s ASN 18 Ca 0.43 -0.70 0.28 0.00 0.21 0.00 0.00 52.86 53.08 3h6s s ASN 18 Cb -0.02 -0.96 1.02 0.00 -0.55 0.00 0.00 41.25 40.74 3h6s s ASN 18 CO 0.26 -0.18 1.82 0.06 -2.79 0.00 0.00 177.10 176.26 3h6s h GLN 19 N 8.10 0.00 0.00 0.43 3.07 -1.16 -3.47 115.11 122.07 3h6s h GLN 19 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.49 3h6s h GLN 19 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 3h6s h GLN 19 CO 0.41 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.96 3h6s n LYS 20 N -2.71 0.00 -0.50 0.06 4.76 -1.26 -3.08 118.16 115.43 3h6s n LYS 20 Ca 0.02 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.48 3h6s n LYS 20 Cb 0.33 0.00 0.20 0.00 -1.84 0.00 0.00 35.03 33.72 3h6s n LYS 20 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3h6s n GLN 21 N 14.00 2.92 -5.10 1.97 7.27 -1.26 -4.76 117.38 132.42 3h6s n GLN 21 Ca 0.00 -1.67 -0.30 0.00 0.07 0.00 0.00 57.00 55.09 3h6s n GLN 21 Cb 0.00 -1.88 -0.17 0.00 2.41 0.00 0.00 30.24 30.60 3h6s n GLN 21 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3h6s n GLY 23 N 3.49 3.12 3.28 0.00 0.00 -0.71 -4.88 105.19 109.48 3h6s n GLY 23 Ca -0.19 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3h6s n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h6s s SER 24 N 2.19 5.83 0.00 1.61 1.04 -1.26 -3.76 113.70 119.35 3h6s s SER 24 Ca 0.61 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 55.39 3h6s s SER 24 Cb 0.26 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.31 3h6s s SER 24 CO -0.01 -0.66 0.00 -2.67 0.98 0.00 0.00 173.24 170.88 3h6s n TRP 26 N 5.01 0.00 -0.07 5.02 4.27 -1.26 -2.49 117.44 127.92 3h6s n TRP 26 Ca -0.10 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.36 3h6s n TRP 26 Cb 0.42 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.32 3h6s n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3h6s h ALA 27 N 0.00 0.40 -0.61 -1.67 0.00 -1.92 -2.31 119.26 113.14 3h6s h ALA 27 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3h6s h ALA 27 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3h6s h ALA 27 CO 0.00 0.56 0.08 0.74 0.00 0.00 0.00 179.25 180.63 3h6s h PHE 28 N 0.51 1.07 -0.65 0.00 0.04 -1.85 -0.72 116.94 115.34 3h6s h PHE 28 Ca 0.01 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 3h6s h PHE 28 Cb 1.07 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.90 3h6s h PHE 28 CO 0.08 0.91 0.27 1.03 -0.60 0.00 0.00 178.31 180.01 3h6s h SER 29 N 0.95 0.89 -0.14 2.17 0.87 -1.79 -0.51 113.55 115.98 3h6s h SER 29 Ca 0.19 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3h6s h SER 29 Cb 0.43 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3h6s h SER 29 CO 0.01 0.81 0.02 0.00 -0.53 0.00 0.00 176.83 177.14 3h6s h ALA 30 N 1.12 0.18 -0.26 6.23 0.00 -1.27 -1.36 119.26 123.91 3h6s h ALA 30 Ca 0.22 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3h6s h ALA 30 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3h6s h ALA 30 CO -0.02 -0.16 -0.27 1.79 0.00 0.00 0.00 179.25 180.59 3h6s h THR 31 N 0.01 1.27 -0.11 0.00 1.35 -1.10 -1.17 112.91 113.16 3h6s h THR 31 Ca 0.04 -1.31 -0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3h6s h THR 31 Cb 0.29 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 3h6s h THR 31 CO 0.00 0.42 0.06 1.23 -0.25 0.00 0.00 175.52 176.98 3h6s h GLY 32 N 1.03 0.17 0.90 5.82 0.00 -0.71 0.19 103.07 110.46 3h6s h GLY 32 Ca 0.06 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3h6s h GLY 32 CO 0.05 0.08 0.27 0.00 0.00 0.00 0.00 176.54 176.94 3h6s h ALA 33 N 0.94 0.58 -0.14 3.60 0.00 -0.99 -2.28 119.26 120.97 3h6s h ALA 33 Ca 0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3h6s h ALA 33 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h6s h ALA 33 CO -0.01 -0.04 -0.38 1.25 0.00 0.00 0.00 179.25 180.08 3h6s h LEU 34 N 0.55 0.31 -0.69 0.00 5.85 -0.94 -1.21 115.31 119.18 3h6s h LEU 34 Ca 0.18 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3h6s h LEU 34 Cb 0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3h6s h LEU 34 CO -0.08 0.67 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.35 3h6s h GLU 35 N 0.25 1.01 -0.13 1.25 5.08 -0.42 -0.76 114.58 120.87 3h6s h GLU 35 Ca 0.03 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3h6s h GLU 35 Cb 0.79 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3h6s h GLU 35 CO 0.06 0.99 0.04 0.78 -1.00 0.00 0.00 179.01 179.88 3h6s h GLY 36 N 0.99 0.22 1.18 -3.84 0.00 -0.80 -1.86 103.07 98.97 3h6s h GLY 36 Ca 0.17 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3h6s h GLY 36 CO 0.03 0.13 -0.01 1.46 0.00 0.00 0.00 176.54 178.15 3h6s h GLN 37 N 0.02 0.98 -0.55 4.80 1.08 -1.07 -1.45 115.11 118.92 3h6s h GLN 37 Ca 0.04 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 56.88 3h6s h GLN 37 Cb 0.24 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3h6s h GLN 37 CO -0.00 0.97 0.10 0.52 -0.95 0.00 0.00 178.83 179.47 3h6s h MET 38 N 0.90 0.86 0.02 1.46 2.86 -1.18 -2.08 114.93 117.77 3h6s h MET 38 Ca 0.16 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3h6s h MET 38 Cb 0.53 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3h6s h MET 38 CO 0.03 0.79 -0.01 0.35 1.06 0.00 0.00 176.91 179.13 3h6s h PHE 39 N 0.82 -0.02 -0.98 -0.22 3.57 -0.93 0.73 116.94 119.91 3h6s h PHE 39 Ca 0.17 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.85 3h6s h PHE 39 Cb 0.34 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 3h6s h PHE 39 CO 0.02 0.34 0.61 -0.09 -2.23 0.00 0.00 178.31 176.97 3h6s h ARG 40 N -0.40 0.69 0.10 1.11 2.43 -1.12 0.32 114.38 117.51 3h6s h ARG 40 Ca -0.00 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 3h6s h ARG 40 Cb 0.38 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3h6s h ARG 40 CO 0.00 0.46 -0.88 -0.22 -1.51 0.00 0.00 179.97 177.83 3h6s h LYS 41 N 0.72 0.42 0.00 0.20 3.64 -1.02 -3.40 116.57 117.13 3h6s h LYS 41 Ca 0.53 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3h6s h LYS 41 Cb 0.89 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3h6s h LYS 41 CO -0.30 1.24 -1.24 0.25 -2.27 0.00 0.00 179.45 177.12 3h6s n THR 42 N -4.06 0.00 -0.97 1.00 -2.24 0.22 -4.99 114.28 103.24 3h6s n THR 42 Ca -0.13 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3h6s n THR 42 Cb 0.83 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3h6s n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h6s n GLY 43 N 1.68 0.68 3.31 3.38 0.00 0.11 -5.03 105.19 109.32 3h6s n GLY 43 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3h6s n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h6s s LYS 44 N -0.03 3.27 -0.44 1.61 -0.14 -1.25 -5.03 119.74 117.72 3h6s s LYS 44 Ca 0.00 -0.75 -0.19 0.00 -1.36 0.00 0.00 55.97 53.67 3h6s s LYS 44 Cb 0.00 -2.56 0.03 0.00 -1.68 0.00 0.00 37.83 33.62 3h6s s LYS 44 CO 0.00 0.16 0.57 -1.17 -0.76 0.00 0.00 175.35 174.14 3h6s s LEU 45 N 0.47 4.69 -0.08 3.17 2.96 -1.26 -3.87 118.68 124.76 3h6s s LEU 45 Ca -0.11 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 3h6s s LEU 45 Cb -0.16 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 43.98 3h6s s LEU 45 CO 0.05 -0.72 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.57 3h6s s VAL 46 N 2.55 1.04 0.17 1.68 1.01 -1.26 -5.11 120.40 120.48 3h6s s VAL 46 Ca 0.18 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3h6s s VAL 46 Cb -0.16 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 3h6s s VAL 46 CO 0.16 0.35 1.35 -0.55 0.00 0.00 0.00 175.10 176.41 3h6s s SER 47 N 1.05 6.85 0.23 3.32 0.15 -1.26 -4.84 113.70 119.21 3h6s s SER 47 Ca -0.07 2.39 0.05 0.00 0.70 0.00 0.00 55.95 59.01 3h6s s SER 47 Cb -0.15 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 3h6s s SER 47 CO -0.01 -0.59 0.36 -0.76 1.20 0.00 0.00 173.24 173.45 3h6s s LEU 48 N 0.32 4.31 -0.59 3.45 1.43 -1.26 -1.20 118.68 125.14 3h6s s LEU 48 Ca 0.60 0.10 -0.25 0.00 -1.03 0.00 0.00 54.13 53.54 3h6s s LEU 48 Cb -0.37 -2.88 0.04 0.00 0.03 0.00 0.00 46.19 43.01 3h6s s LEU 48 CO 0.36 -0.07 1.05 -0.55 0.23 0.00 0.00 176.35 177.37 3h6s s SER 49 N -3.90 6.33 0.38 2.29 0.15 -0.57 -4.02 113.70 114.36 3h6s s SER 49 Ca 0.34 -0.30 0.14 0.00 0.70 0.00 0.00 55.95 56.82 3h6s s SER 49 Cb -0.09 -2.48 0.77 0.00 -1.71 0.00 0.00 66.02 62.51 3h6s s SER 49 CO 0.29 -1.39 1.85 -0.33 1.20 0.00 0.00 173.24 174.86 3h6s h GLU 50 N 9.48 0.00 -0.39 5.44 3.07 -1.87 -2.96 114.58 127.35 3h6s h GLU 50 Ca -0.26 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.58 3h6s h GLU 50 Cb 1.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 3h6s h GLU 50 CO 1.15 0.34 0.15 0.37 -1.40 0.00 0.00 179.01 179.62 3h6s h GLN 51 N 0.00 0.55 -0.57 2.33 5.75 -1.86 0.87 115.11 122.18 3h6s h GLN 51 Ca -0.00 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.37 3h6s h GLN 51 Cb 0.62 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 3h6s h GLN 51 CO 0.04 0.46 0.14 -0.97 -2.65 0.00 0.00 178.83 175.86 3h6s h ASN 52 N 0.55 0.86 -0.42 -0.69 -0.00 -1.78 0.37 115.58 114.47 3h6s h ASN 52 Ca 0.14 -0.23 -0.10 0.00 -0.00 0.00 0.00 56.30 56.11 3h6s h ASN 52 Cb 0.12 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.20 3h6s h ASN 52 CO -0.01 0.86 -0.12 -0.07 -0.00 0.00 0.00 177.43 178.09 3h6s h LEU 53 N 0.81 0.84 -0.59 0.34 3.38 -1.24 -1.55 115.31 117.30 3h6s h LEU 53 Ca 0.18 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 3h6s h LEU 53 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3h6s h LEU 53 CO 0.00 1.02 -0.38 -0.37 0.09 0.00 0.00 178.44 178.80 3h6s h VAL 54 N 0.65 1.29 0.00 1.22 -1.51 0.15 -2.80 116.25 115.26 3h6s h VAL 54 Ca 0.10 -1.54 -0.20 0.00 -1.23 0.00 0.00 66.70 63.84 3h6s h VAL 54 Cb 0.66 1.46 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 3h6s h VAL 54 CO 0.05 0.50 -0.94 0.44 -1.23 0.00 0.00 177.57 176.39 3h6s h ASP 55 N 0.58 0.00 -0.00 4.19 3.32 -0.28 -3.37 116.42 120.86 3h6s h ASP 55 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3h6s h ASP 55 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 3h6s h ASP 55 CO 0.08 0.94 -0.25 0.00 -1.72 0.00 0.00 179.24 178.29 3h6s n SER 57 N -0.63 5.46 -0.36 0.00 3.41 -1.06 -4.39 113.62 116.06 3h6s n SER 57 Ca 0.03 -2.79 -0.02 0.00 -0.26 0.00 0.00 58.87 55.83 3h6s n SER 57 Cb 0.16 -0.66 0.11 0.00 -0.26 0.00 0.00 64.21 63.55 3h6s n SER 57 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h6s h ARG 58 N 4.03 1.25 -0.73 4.33 3.08 -1.82 -2.28 114.38 122.23 3h6s h ARG 58 Ca 0.00 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.05 3h6s h ARG 58 Cb 1.83 -0.28 -0.05 0.00 0.08 0.00 0.00 29.97 31.55 3h6s h ARG 58 CO 0.42 0.83 0.48 -1.35 -1.07 0.00 0.00 179.97 179.27 3h6s h PRO 59 N 1.29 0.69 0.00 0.04 0.11 -1.85 0.84 132.00 133.11 3h6s h PRO 59 Ca 0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3h6s h PRO 59 Cb -0.13 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.83 3h6s h PRO 59 CO -0.08 0.45 0.00 1.04 -0.21 0.00 0.00 178.00 179.20 3h6s n GLN 60 N -4.49 0.92 -0.31 1.05 3.00 -0.91 -4.85 117.38 111.80 3h6s n GLN 60 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3h6s n GLN 60 Cb 0.27 -1.08 0.00 0.00 0.00 0.00 0.00 30.24 29.43 3h6s n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h6s n GLY 61 N 0.48 0.84 3.93 1.08 0.00 0.29 -4.89 105.19 106.93 3h6s n GLY 61 Ca 0.04 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3h6s n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h6s s ASN 62 N -2.04 6.06 -0.22 1.61 0.01 -0.91 -4.82 114.94 114.63 3h6s s ASN 62 Ca 0.00 0.64 0.15 0.00 -0.71 0.00 0.00 52.86 52.94 3h6s s ASN 62 Cb 0.00 -1.95 0.46 0.00 0.41 0.00 0.00 41.25 40.17 3h6s s ASN 62 CO 0.00 -0.62 1.17 0.00 -1.51 0.00 0.00 177.10 176.14 3h6s n GLN 63 N -2.16 2.14 0.00 -0.60 1.13 -0.04 -3.97 117.38 113.87 3h6s n GLN 63 Ca 0.00 -3.48 0.00 0.00 -1.94 0.00 0.00 57.00 51.58 3h6s n GLN 63 Cb 0.56 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.30 3h6s n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h6s n GLY 64 N -0.58 3.34 0.09 1.08 0.00 -1.20 -0.93 105.19 107.00 3h6s n GLY 64 Ca 0.23 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.52 3h6s n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6s n ASN 66 N -2.02 1.24 0.00 0.00 5.03 -0.10 -1.73 115.26 117.68 3h6s n ASN 66 Ca 0.02 -1.12 0.00 0.00 0.87 0.00 0.00 54.58 54.35 3h6s n ASN 66 Cb 0.20 0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.06 3h6s n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h6s n GLY 67 N 1.29 3.31 0.00 7.41 0.00 -0.63 -4.95 105.19 111.62 3h6s n GLY 67 Ca 0.14 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3h6s n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6s n GLY 68 N -1.48 -1.16 3.04 -0.02 0.00 -1.26 -0.86 105.19 103.44 3h6s n GLY 68 Ca 0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 3h6s n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h6s s PHE 69 N -3.00 0.83 0.27 1.61 0.08 -1.26 -4.84 117.98 111.67 3h6s s PHE 69 Ca 0.00 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 3h6s s PHE 69 Cb 0.00 -0.52 0.36 0.00 -0.57 0.00 0.00 43.02 42.29 3h6s s PHE 69 CO 0.00 -0.01 1.80 0.52 -0.10 0.00 0.00 175.22 177.43 3h6s h MET 70 N 5.65 0.84 -0.60 0.44 2.86 -1.97 -2.07 114.93 120.08 3h6s h MET 70 Ca -0.32 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 3h6s h MET 70 Cb 1.18 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 3h6s h MET 70 CO 0.48 0.78 0.34 0.00 1.06 0.00 0.00 176.91 179.57 3h6s h ALA 71 N 1.30 1.48 -0.04 6.32 0.00 -1.96 -0.82 119.26 125.55 3h6s h ALA 71 Ca 0.17 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3h6s h ALA 71 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h6s h ALA 71 CO 0.00 0.44 -0.56 0.00 0.00 0.00 0.00 179.25 179.14 3h6s h ARG 72 N 0.82 0.11 -0.36 0.00 3.08 -1.74 -1.43 114.38 114.88 3h6s h ARG 72 Ca 0.21 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 60.03 3h6s h ARG 72 Cb -0.01 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h6s h ARG 72 CO -0.04 0.64 -0.43 0.00 -1.07 0.00 0.00 179.97 179.08 3h6s h ALA 73 N 1.34 0.56 -0.46 0.04 0.00 -0.71 0.18 119.26 120.21 3h6s h ALA 73 Ca -0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3h6s h ALA 73 Cb 1.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3h6s h ALA 73 CO 0.08 0.68 -0.04 0.74 0.00 0.00 0.00 179.25 180.71 3h6s h PHE 74 N 0.73 0.85 -0.57 0.00 0.04 -0.75 -1.79 116.94 115.45 3h6s h PHE 74 Ca 0.05 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 3h6s h PHE 74 Cb 1.02 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 3h6s h PHE 74 CO 0.06 0.80 0.15 0.37 -0.60 0.00 0.00 178.31 179.09 3h6s h GLN 75 N 0.73 0.90 0.01 1.51 5.75 -1.16 -1.80 115.11 121.04 3h6s h GLN 75 Ca 0.14 -0.21 0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3h6s h GLN 75 Cb 0.50 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3h6s h GLN 75 CO 0.03 0.84 -0.09 -0.92 -2.65 0.00 0.00 178.83 176.03 3h6s h TYR 76 N 0.81 -0.24 -0.90 3.99 3.20 -0.57 -1.20 116.97 122.07 3h6s h TYR 76 Ca 0.18 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.13 3h6s h TYR 76 Cb 0.33 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 3h6s h TYR 76 CO 0.02 -0.14 0.56 0.28 -1.64 0.00 0.00 178.16 177.24 3h6s h VAL 77 N -0.17 1.01 0.52 1.81 2.07 -1.17 0.27 116.25 120.60 3h6s h VAL 77 Ca 0.03 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3h6s h VAL 77 Cb 0.21 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3h6s h VAL 77 CO -0.09 0.18 -0.43 0.50 0.02 0.00 0.00 177.57 177.75 3h6s h LYS 78 N 0.98 -0.89 0.00 1.57 3.64 -1.11 -0.50 116.57 120.25 3h6s h LYS 78 Ca 0.41 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.81 3h6s h LYS 78 Cb 0.25 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3h6s h LYS 78 CO -0.20 -0.59 -0.18 0.93 -2.27 0.00 0.00 179.45 177.14 3h6s h GLU 79 N -0.92 0.00 0.00 1.90 5.08 -1.07 -2.94 114.58 116.62 3h6s h GLU 79 Ca -0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3h6s h GLU 79 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3h6s h GLU 79 CO 0.00 0.18 -0.55 -0.97 -1.00 0.00 0.00 179.01 176.67 3h6s h ASN 80 N 0.00 0.00 0.00 1.42 -1.24 -0.31 -3.48 115.58 111.98 3h6s h ASN 80 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3h6s h ASN 80 Cb 0.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.44 3h6s h ASN 80 CO 0.02 0.31 0.00 0.61 -1.29 0.00 0.00 177.43 177.09 3h6s n GLY 81 N 1.21 0.63 0.00 1.57 0.00 -0.21 -4.96 105.19 103.43 3h6s n GLY 81 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3h6s n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6s n GLY 82 N -2.71 0.87 3.11 -0.02 0.00 -1.16 -4.87 105.19 100.41 3h6s n GLY 82 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 3h6s n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h6s s LEU 83 N 0.00 0.59 0.67 0.99 2.96 -0.77 -4.70 118.68 118.41 3h6s s LEU 83 Ca 0.00 0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 54.33 3h6s s LEU 83 Cb 0.00 0.84 0.00 0.00 0.50 0.00 0.00 46.19 47.53 3h6s s LEU 83 CO 0.00 -0.14 1.08 -1.81 -1.32 0.00 0.00 176.35 174.16 3h6s s ASP 84 N 0.86 5.29 0.72 3.68 -0.00 -1.26 -1.23 116.67 124.73 3h6s s ASP 84 Ca -0.06 1.81 -0.11 0.00 -0.00 0.00 0.00 52.55 54.19 3h6s s ASP 84 Cb -0.07 -2.53 0.03 0.00 -0.00 0.00 0.00 42.92 40.35 3h6s s ASP 84 CO -0.06 -1.50 1.08 -0.94 -0.00 0.00 0.00 175.17 173.75 3h6s s SER 85 N -3.09 4.97 0.22 0.27 1.04 -1.20 -1.51 113.70 114.39 3h6s s SER 85 Ca 0.63 1.77 -0.09 0.00 0.48 0.00 0.00 55.95 58.73 3h6s s SER 85 Cb -0.17 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.63 3h6s s SER 85 CO 0.46 -1.72 1.87 -0.08 0.98 0.00 0.00 173.24 174.75 3h6s h GLU 86 N -0.74 0.95 -0.91 4.02 4.57 -1.29 -1.96 114.58 119.22 3h6s h GLU 86 Ca -0.44 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3h6s h GLU 86 Cb 1.22 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.55 3h6s h GLU 86 CO 0.54 0.63 0.56 1.49 -1.18 0.00 0.00 179.01 181.05 3h6s h GLU 87 N 0.98 1.22 0.00 1.92 4.81 -1.92 -2.66 114.58 118.93 3h6s h GLU 87 Ca 0.30 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3h6s h GLU 87 Cb -0.04 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 3h6s h GLU 87 CO -0.09 0.84 -0.49 0.66 -0.73 0.00 0.00 179.01 179.20 3h6s h SER 88 N 1.24 0.00 -1.93 1.04 4.64 -1.90 -3.40 113.55 113.25 3h6s h SER 88 Ca 0.33 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.13 3h6s h SER 88 Cb -0.08 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.66 3h6s h SER 88 CO -0.06 0.26 -0.96 0.00 -0.87 0.00 0.00 176.83 175.20 3h6s n TYR 89 N -3.07 -1.12 -1.70 4.77 4.19 -0.75 -4.97 117.16 114.50 3h6s n TYR 89 Ca 0.01 -3.14 -0.39 0.00 3.31 0.00 0.00 57.90 57.69 3h6s n TYR 89 Cb 0.65 0.21 0.03 0.00 0.49 0.00 0.00 39.34 40.72 3h6s n TYR 89 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3h6s n PRO 90 N 2.18 1.63 -2.45 2.98 -0.04 -1.01 -4.52 135.00 133.77 3h6s n PRO 90 Ca 0.24 0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 63.87 3h6s n PRO 90 Cb 0.52 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 3h6s n PRO 90 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h6s s TYR 91 N -1.29 3.32 0.00 0.54 6.04 -1.26 -4.77 117.35 119.92 3h6s s TYR 91 Ca 0.69 1.27 0.00 0.00 0.04 0.00 0.00 57.07 59.06 3h6s s TYR 91 Cb -0.45 -3.41 0.00 0.00 -1.04 0.00 0.00 41.96 37.06 3h6s s TYR 91 CO 0.52 -1.25 0.21 1.33 -1.54 0.00 0.00 175.55 174.82 3h6s n VAL 92 N 4.27 0.00 -2.38 3.14 0.24 -1.26 -5.03 118.33 117.32 3h6s n VAL 92 Ca 0.10 -0.46 -0.19 0.00 -2.04 0.00 0.00 64.34 61.75 3h6s n VAL 92 Cb 0.46 1.04 -0.01 0.00 -1.47 0.00 0.00 33.84 33.87 3h6s n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h6s n ALA 93 N -0.49 -0.57 -2.78 2.33 0.00 -1.26 -4.99 120.51 112.74 3h6s n ALA 93 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 3h6s n ALA 93 Cb 0.01 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.28 3h6s n ALA 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h6s s VAL 94 N -2.96 0.13 -0.16 0.00 -7.23 -1.26 -4.13 120.40 104.79 3h6s s VAL 94 Ca 0.01 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 3h6s s VAL 94 Cb -0.00 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 3h6s s VAL 94 CO 0.01 -0.58 1.42 -1.81 -0.31 0.00 0.00 175.10 173.83 3h6s s ASP 95 N -1.97 6.76 0.32 4.85 1.01 -1.26 -4.95 116.67 121.42 3h6s s ASP 95 Ca -0.07 1.76 0.05 0.00 0.71 0.00 0.00 52.55 55.00 3h6s s ASP 95 Cb -0.03 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 3h6s s ASP 95 CO -0.03 -0.92 0.02 -1.61 0.21 0.00 0.00 175.17 172.83 3h6s s GLU 96 N 3.89 1.66 0.60 8.23 2.02 -1.26 -5.10 118.70 128.74 3h6s s GLU 96 Ca 0.62 -1.90 -0.19 0.00 0.02 0.00 0.00 54.97 53.52 3h6s s GLU 96 Cb -0.24 -1.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.89 3h6s s GLU 96 CO 0.22 -0.10 1.22 -1.50 0.02 0.00 0.00 175.26 175.12 3h6s s ILE 97 N -3.13 2.53 0.16 -1.63 2.07 -1.26 -4.52 121.20 115.43 3h6s s ILE 97 Ca 0.34 0.33 -0.32 0.00 -1.41 0.00 0.00 60.65 59.60 3h6s s ILE 97 Cb 0.07 -3.14 -0.10 0.00 0.13 0.00 0.00 42.46 39.42 3h6s s ILE 97 CO 0.15 -0.07 1.65 0.00 -1.91 0.00 0.00 174.94 174.76 3h6s n LYS 99 N 4.35 1.19 -1.66 0.00 5.02 -1.26 -5.06 118.16 120.74 3h6s n LYS 99 Ca 0.15 -2.93 -0.48 0.00 -2.02 0.00 0.00 58.31 53.03 3h6s n LYS 99 Cb 0.38 -1.11 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 3h6s n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3h6s n TYR 100 N -0.53 2.12 -3.93 2.13 4.19 -1.26 -4.99 117.16 114.90 3h6s n TYR 100 Ca 0.16 0.32 -0.35 0.00 3.31 0.00 0.00 57.90 61.34 3h6s n TYR 100 Cb 0.87 -2.51 -0.14 0.00 0.49 0.00 0.00 39.34 38.05 3h6s n TYR 100 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3h6s s ARG 101 N 1.20 2.43 0.27 2.98 0.52 -1.26 -5.00 118.95 120.09 3h6s s ARG 101 Ca 0.82 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3h6s s ARG 101 Cb -0.75 -3.14 0.53 0.00 0.52 0.00 0.00 34.95 32.11 3h6s s ARG 101 CO 0.42 -0.61 1.82 -1.00 0.02 0.00 0.00 175.30 175.95 3h6s h PRO 102 N 7.98 0.89 0.00 3.54 0.13 -1.98 0.47 132.00 143.03 3h6s h PRO 102 Ca -0.21 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3h6s h PRO 102 Cb 1.06 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3h6s h PRO 102 CO 0.53 0.59 0.00 1.05 -0.23 0.00 0.00 178.00 179.94 3h6s h GLU 103 N 0.92 0.00 -0.13 0.86 9.09 -2.02 -0.31 114.58 122.99 3h6s h GLU 103 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 3h6s h GLU 103 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 3h6s h GLU 103 CO -0.27 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.88 3h6s n ASN 104 N -2.58 2.96 -4.77 3.06 5.03 0.16 -5.01 115.26 114.12 3h6s n ASN 104 Ca -0.01 -1.92 -0.41 0.00 0.87 0.00 0.00 54.58 53.12 3h6s n ASN 104 Cb 0.14 -0.07 -0.01 0.00 -1.02 0.00 0.00 39.78 38.82 3h6s n ASN 104 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3h6s s SER 105 N -1.68 6.33 0.00 6.41 0.15 -0.13 -3.27 113.70 121.51 3h6s s SER 105 Ca 0.28 3.03 0.00 0.00 0.70 0.00 0.00 55.95 59.96 3h6s s SER 105 Cb 0.19 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3h6s s SER 105 CO 0.28 -0.91 0.66 1.33 1.20 0.00 0.00 173.24 175.79 3h6s n VAL 106 N 1.17 0.40 -3.58 4.45 0.24 -0.37 -4.90 118.33 115.74 3h6s n VAL 106 Ca 0.04 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 3h6s n VAL 106 Cb 0.38 0.89 -0.04 0.00 -1.47 0.00 0.00 33.84 33.60 3h6s n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h6s s ALA 107 N -0.40 -1.12 0.16 2.33 0.00 -1.19 -5.01 121.76 116.53 3h6s s ALA 107 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.99 3h6s s ALA 107 Cb 0.00 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.80 3h6s s ALA 107 CO 0.00 -0.64 0.40 1.14 0.00 0.00 0.00 175.76 176.66 3h6s s GLN 108 N -3.52 1.20 0.08 0.00 1.03 -1.26 -1.84 119.66 115.35 3h6s s GLN 108 Ca 0.01 -0.93 -0.03 0.00 0.04 0.00 0.00 55.36 54.45 3h6s s GLN 108 Cb 0.01 0.45 -0.03 0.00 0.03 0.00 0.00 33.01 33.47 3h6s s GLN 108 CO -0.10 -0.48 0.04 0.16 -2.54 0.00 0.00 175.29 172.37 3h6s s ASP 109 N -2.89 0.37 -0.06 12.60 1.47 -1.26 -4.69 116.67 122.22 3h6s s ASP 109 Ca 0.10 -0.98 0.13 0.00 1.18 0.00 0.00 52.55 52.98 3h6s s ASP 109 Cb 0.01 0.25 0.39 0.00 -0.34 0.00 0.00 42.92 43.24 3h6s s ASP 109 CO -0.05 -0.66 1.32 0.35 0.68 0.00 0.00 175.17 176.82 3h6s n THR 110 N 0.03 1.41 0.00 2.11 -2.24 0.70 -4.19 114.28 112.10 3h6s n THR 110 Ca -0.12 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.40 3h6s n THR 110 Cb 0.62 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3h6s n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h6s n GLY 111 N 0.27 0.75 3.52 3.38 0.00 -1.25 -4.95 105.19 106.90 3h6s n GLY 111 Ca 0.15 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 3h6s n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h6s s PHE 112 N -3.11 -0.18 -0.02 1.61 -0.71 -1.26 -1.28 117.98 113.02 3h6s s PHE 112 Ca 0.00 -0.15 0.06 0.00 -1.04 0.00 0.00 56.93 55.80 3h6s s PHE 112 Cb 0.00 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.21 3h6s s PHE 112 CO 0.00 -0.92 -0.20 0.99 -1.34 0.00 0.00 175.22 173.75 3h6s s THR 113 N -3.86 2.57 -0.12 -4.49 2.01 0.77 -4.84 115.64 107.68 3h6s s THR 113 Ca 0.08 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 3h6s s THR 113 Cb -0.01 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3h6s s THR 113 CO -0.04 0.54 0.07 -0.69 -0.69 0.00 0.00 174.62 173.81 3h6s s VAL 114 N -0.72 4.91 0.25 3.82 1.01 -1.26 -1.82 120.40 126.59 3h6s s VAL 114 Ca 0.11 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 3h6s s VAL 114 Cb -0.10 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 3h6s s VAL 114 CO 0.01 0.58 0.85 -0.69 0.00 0.00 0.00 175.10 175.85 3h6s s VAL 115 N -0.69 4.31 -0.11 2.92 1.01 -0.54 -4.96 120.40 122.33 3h6s s VAL 115 Ca 0.12 1.71 -0.38 0.00 0.00 0.00 0.00 61.98 63.44 3h6s s VAL 115 Cb -0.12 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.05 3h6s s VAL 115 CO 0.02 0.31 1.66 0.00 0.00 0.00 0.00 175.10 177.09 3h6s n ALA 116 N 0.99 -0.04 -1.79 5.51 0.00 -1.26 -4.74 120.51 119.19 3h6s n ALA 116 Ca -0.01 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 3h6s n ALA 116 Cb 0.49 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 3h6s n ALA 116 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h6s s PRO 117 N 2.65 4.15 0.00 0.00 0.04 -1.26 -2.65 135.00 137.93 3h6s s PRO 117 Ca 0.92 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.49 3h6s s PRO 117 Cb -0.93 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 30.54 3h6s s PRO 117 CO 0.56 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.37 3h6s n GLY 118 N 2.91 1.14 3.30 0.56 0.00 -0.59 -4.95 105.19 107.55 3h6s n GLY 118 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 3h6s n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h6s s LYS 119 N -0.08 3.02 0.56 1.61 -0.14 -1.08 -4.84 119.74 118.79 3h6s s LYS 119 Ca 0.00 -1.86 0.27 0.00 -1.36 0.00 0.00 55.97 53.02 3h6s s LYS 119 Cb 0.00 -4.27 1.65 0.00 -1.68 0.00 0.00 37.83 33.54 3h6s s LYS 119 CO 0.00 -1.30 2.20 0.93 -0.76 0.00 0.00 175.35 176.42 3h6s h GLU 120 N 8.62 0.00 -0.24 1.68 5.08 -1.89 -0.81 114.58 127.02 3h6s h GLU 120 Ca -0.22 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.95 3h6s h GLU 120 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3h6s h GLU 120 CO 0.96 0.03 -0.59 0.87 -1.00 0.00 0.00 179.01 179.28 3h6s h LYS 121 N 0.00 0.82 -0.67 2.33 1.57 -1.97 0.68 116.57 119.33 3h6s h LYS 121 Ca -0.00 -0.56 -0.05 0.00 -1.87 0.00 0.00 60.65 58.16 3h6s h LYS 121 Cb 0.07 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3h6s h LYS 121 CO 0.00 1.19 0.22 0.00 -0.57 0.00 0.00 179.45 180.29 3h6s h ALA 122 N 0.63 0.88 -0.42 3.86 0.00 -1.69 -1.48 119.26 121.04 3h6s h ALA 122 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3h6s h ALA 122 Cb 1.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3h6s h ALA 122 CO 0.13 0.54 0.18 1.25 0.00 0.00 0.00 179.25 181.36 3h6s h LEU 123 N 0.97 0.56 -1.48 0.00 5.85 -1.09 0.19 115.31 120.32 3h6s h LEU 123 Ca 0.22 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3h6s h LEU 123 Cb 0.28 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3h6s h LEU 123 CO -0.01 0.56 0.41 -0.03 -0.34 0.00 0.00 178.44 179.03 3h6s h MET 124 N 0.53 0.64 -0.05 1.25 4.05 -0.60 0.30 114.93 121.06 3h6s h MET 124 Ca 0.14 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 3h6s h MET 124 Cb 0.16 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3h6s h MET 124 CO -0.01 0.42 -0.06 -0.22 0.23 0.00 0.00 176.91 177.27 3h6s h LYS 125 N 0.66 0.13 -0.67 0.39 3.64 -0.40 -1.50 116.57 118.81 3h6s h LYS 125 Ca 0.26 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3h6s h LYS 125 Cb 0.18 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3h6s h LYS 125 CO -0.07 0.61 0.45 0.00 -2.27 0.00 0.00 179.45 178.16 3h6s h ALA 126 N 0.52 0.85 -0.44 5.00 0.00 -0.61 -0.12 119.26 124.45 3h6s h ALA 126 Ca 0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3h6s h ALA 126 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3h6s h ALA 126 CO 0.01 0.28 -0.24 -0.39 0.00 0.00 0.00 179.25 178.91 3h6s h VAL 127 N 0.91 1.27 -0.46 0.00 -1.51 -0.85 -0.14 116.25 115.47 3h6s h VAL 127 Ca 0.25 -1.39 -0.03 0.00 -1.23 0.00 0.00 66.70 64.29 3h6s h VAL 127 Cb -0.10 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 3h6s h VAL 127 CO -0.06 0.47 0.16 0.00 -1.23 0.00 0.00 177.57 176.91 3h6s h ALA 128 N 0.93 0.59 0.00 5.19 0.00 -0.91 -3.23 119.26 121.83 3h6s h ALA 128 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h6s h ALA 128 Cb 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3h6s h ALA 128 CO 0.07 0.23 -1.13 0.25 0.00 0.00 0.00 179.25 178.67 3h6s n THR 129 N -4.56 0.32 -0.05 0.00 -2.24 -0.09 -4.73 114.28 102.93 3h6s n THR 129 Ca 0.01 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 3h6s n THR 129 Cb 0.18 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 3h6s n THR 129 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h6s n VAL 130 N -2.27 0.55 0.00 2.28 0.31 -0.07 -5.06 118.33 114.07 3h6s n VAL 130 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3h6s n VAL 130 Cb 0.50 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3h6s n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h6s n GLY 131 N 2.59 0.85 3.69 2.92 0.00 -1.22 -4.89 105.19 109.13 3h6s n GLY 131 Ca -0.19 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 3h6s n GLY 131 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h6s n PRO 132 N 0.00 1.89 -4.76 1.61 -0.02 -1.26 -4.41 135.00 128.04 3h6s n PRO 132 Ca 0.00 0.67 -0.24 0.00 -2.02 0.00 0.00 63.50 61.91 3h6s n PRO 132 Cb 0.00 -2.32 -0.15 0.00 -0.02 0.00 0.00 33.50 31.01 3h6s n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h6s s ILE 133 N -1.18 1.28 -0.03 4.25 1.09 0.15 -4.69 121.20 122.06 3h6s s ILE 133 Ca 0.60 -0.69 -0.30 0.00 -1.10 0.00 0.00 60.65 59.16 3h6s s ILE 133 Cb -0.53 -1.07 -0.04 0.00 -1.06 0.00 0.00 42.46 39.76 3h6s s ILE 133 CO 0.59 0.36 1.31 -0.44 -0.10 0.00 0.00 174.94 176.66 3h6s s SER 134 N -0.34 6.95 0.10 3.58 0.01 -0.54 -0.74 113.70 122.71 3h6s s SER 134 Ca 0.05 1.97 0.04 0.00 1.31 0.00 0.00 55.95 59.32 3h6s s SER 134 Cb -0.07 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3h6s s SER 134 CO -0.00 -0.66 -0.10 0.68 0.41 0.00 0.00 173.24 173.57 3h6s s VAL 135 N 2.33 0.95 0.01 3.43 -7.23 -0.30 -0.87 120.40 118.72 3h6s s VAL 135 Ca 0.60 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 3h6s s VAL 135 Cb -0.28 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 3h6s s VAL 135 CO 0.24 -0.56 0.14 0.00 -0.31 0.00 0.00 175.10 174.61 3h6s s ALA 136 N -2.47 3.79 0.17 1.32 0.00 -1.25 -0.50 121.76 122.82 3h6s s ALA 136 Ca 0.06 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 3h6s s ALA 136 Cb -0.03 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 3h6s s ALA 136 CO 0.00 0.74 0.29 0.00 0.00 0.00 0.00 175.76 176.79 3h6s s MET 137 N -1.99 1.19 -0.50 0.00 0.23 0.59 -3.87 119.30 114.96 3h6s s MET 137 Ca 0.27 -1.22 -0.19 0.00 -1.03 0.00 0.00 55.69 53.52 3h6s s MET 137 Cb -0.12 0.38 0.05 0.00 -1.53 0.00 0.00 34.83 33.60 3h6s s MET 137 CO 0.19 -0.44 0.62 0.34 -2.03 0.00 0.00 175.02 173.70 3h6s s ASP 138 N -2.99 6.23 0.00 -1.18 3.68 0.05 -0.91 116.67 121.56 3h6s s ASP 138 Ca 0.19 -0.84 0.17 0.00 2.13 0.00 0.00 52.55 54.21 3h6s s ASP 138 Cb 0.03 -2.29 0.13 0.00 -1.45 0.00 0.00 42.92 39.34 3h6s s ASP 138 CO 0.02 -0.87 1.03 0.00 0.13 0.00 0.00 175.17 175.48 3h6s n ALA 139 N 6.17 2.51 -0.80 3.66 0.00 -1.26 -4.84 120.51 125.95 3h6s n ALA 139 Ca -0.06 -0.63 -0.17 0.00 0.00 0.00 0.00 53.44 52.58 3h6s n ALA 139 Cb 0.46 -0.58 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 3h6s n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6s n GLY 140 N 0.97 2.88 3.05 0.00 0.00 -1.26 -4.42 105.19 106.40 3h6s n GLY 140 Ca 0.10 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3h6s n GLY 140 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h6s s HIS 141 N 2.19 -0.07 0.25 1.61 3.76 -1.26 -5.02 115.29 116.74 3h6s s HIS 141 Ca 0.48 0.17 -0.04 0.00 -0.15 0.00 0.00 55.06 55.53 3h6s s HIS 141 Cb 0.18 0.01 0.43 0.00 1.11 0.00 0.00 32.58 34.31 3h6s s HIS 141 CO -0.02 -0.15 1.80 0.77 -0.85 0.00 0.00 174.74 176.29 3h6s h SER 142 N 5.34 0.63 -0.93 1.40 0.02 -1.98 -0.91 113.55 117.11 3h6s h SER 142 Ca -0.27 0.06 0.14 0.00 -0.84 0.00 0.00 61.79 60.88 3h6s h SER 142 Cb 1.20 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 3h6s h SER 142 CO 0.41 0.34 0.60 0.77 -1.14 0.00 0.00 176.83 177.81 3h6s h SER 143 N 0.74 0.75 0.14 3.07 4.64 -1.94 0.41 113.55 121.36 3h6s h SER 143 Ca 0.41 0.05 -0.23 0.00 -0.47 0.00 0.00 61.79 61.55 3h6s h SER 143 Cb 0.43 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3h6s h SER 143 CO -0.28 0.38 -1.07 0.15 -0.87 0.00 0.00 176.83 175.14 3h6s h PHE 144 N 0.79 0.52 -0.79 4.77 3.04 -1.66 -2.44 116.94 121.17 3h6s h PHE 144 Ca 0.47 -0.38 0.07 0.00 3.98 0.00 0.00 57.97 62.11 3h6s h PHE 144 Cb 0.66 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.10 3h6s h PHE 144 CO -0.00 1.41 0.52 1.96 -2.02 0.00 0.00 178.31 180.18 3h6s h GLN 145 N -0.33 0.81 -0.28 1.11 1.08 -0.80 -1.87 115.11 114.83 3h6s h GLN 145 Ca -0.21 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 56.90 3h6s h GLN 145 Cb 1.71 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 28.93 3h6s h GLN 145 CO 0.12 0.54 -0.00 1.19 -0.95 0.00 0.00 178.83 179.72 3h6s n PHE 146 N -4.49 0.97 -1.66 2.96 3.72 0.10 -4.94 117.46 114.12 3h6s n PHE 146 Ca 0.12 -1.04 -0.45 0.00 -0.05 0.00 0.00 57.45 56.03 3h6s n PHE 146 Cb 0.23 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.39 3h6s n PHE 146 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3h6s n TYR 147 N -0.69 2.05 -0.04 1.38 4.19 -0.71 -4.94 117.16 118.41 3h6s n TYR 147 Ca 0.24 0.48 -0.07 0.00 3.31 0.00 0.00 57.90 61.87 3h6s n TYR 147 Cb 0.92 -2.43 -0.03 0.00 0.49 0.00 0.00 39.34 38.30 3h6s n TYR 147 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 3h6s n LYS 148 N 1.83 0.17 -3.84 2.98 5.02 -1.26 -3.17 118.16 119.88 3h6s n LYS 148 Ca 0.11 0.06 -0.01 0.00 -2.02 0.00 0.00 58.31 56.45 3h6s n LYS 148 Cb 0.31 -0.95 0.01 0.00 -0.02 0.00 0.00 35.03 34.37 3h6s n LYS 148 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3h6s s SER 149 N -5.19 -0.03 0.00 4.39 1.04 -1.26 -2.93 113.70 109.72 3h6s s SER 149 Ca -0.10 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3h6s s SER 149 Cb 0.03 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3h6s s SER 149 CO 0.15 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3h6s n GLY 150 N -0.67 -2.34 3.66 7.32 0.00 -1.26 -4.83 105.19 107.07 3h6s n GLY 150 Ca -0.03 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 3h6s n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h6s s ILE 151 N -0.47 4.79 -0.12 -0.61 1.01 -1.26 -4.14 121.20 120.41 3h6s s ILE 151 Ca 0.00 1.75 -0.25 0.00 0.00 0.00 0.00 60.65 62.15 3h6s s ILE 151 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 3h6s s ILE 151 CO 0.00 -0.08 0.80 -0.47 0.00 0.00 0.00 174.94 175.19 3h6s s TYR 152 N 2.77 3.49 -0.05 3.97 5.04 0.85 -4.83 117.35 128.60 3h6s s TYR 152 Ca 0.39 1.29 -0.02 0.00 -2.44 0.00 0.00 57.07 56.29 3h6s s TYR 152 Cb -0.16 -2.95 0.04 0.00 0.35 0.00 0.00 41.96 39.24 3h6s s TYR 152 CO 0.08 -0.11 0.09 0.12 -1.34 0.00 0.00 175.55 174.39 3h6s s PHE 153 N 1.60 -0.05 -0.16 4.97 5.36 -1.26 -1.13 117.98 127.32 3h6s s PHE 153 Ca 0.39 0.33 -0.01 0.00 -0.96 0.00 0.00 56.93 56.68 3h6s s PHE 153 Cb -0.17 -0.26 0.04 0.00 -0.34 0.00 0.00 43.02 42.29 3h6s s PHE 153 CO 0.16 -0.16 -0.01 -2.00 -1.46 0.00 0.00 175.22 171.74 3h6s s GLU 154 N 1.58 1.01 0.50 10.12 2.56 -1.26 -5.03 118.70 128.18 3h6s s GLU 154 Ca -0.04 -0.36 0.22 0.00 0.00 0.00 0.00 54.97 54.80 3h6s s GLU 154 Cb -0.12 -1.83 1.32 0.00 2.00 0.00 0.00 34.13 35.51 3h6s s GLU 154 CO -0.04 -0.47 2.07 -1.35 -0.56 0.00 0.00 175.26 174.91 3h6s h PRO 155 N 8.20 0.00 -0.32 4.30 0.11 -2.05 -1.58 132.00 140.66 3h6s h PRO 155 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3h6s h PRO 155 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3h6s h PRO 155 CO 0.35 0.12 0.00 -0.25 -0.21 0.00 0.00 178.00 178.01 3h6s n ASP 156 N -3.97 1.58 -4.77 -2.05 8.00 -1.26 -4.93 116.55 109.15 3h6s n ASP 156 Ca -0.02 -2.03 -0.41 0.00 0.71 0.00 0.00 54.79 53.04 3h6s n ASP 156 Cb 0.21 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3h6s n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h6s s SER 158 N -0.40 6.14 0.00 0.00 0.15 -1.26 -4.71 113.70 113.61 3h6s s SER 158 Ca 0.50 0.29 0.24 0.00 0.70 0.00 0.00 55.95 57.68 3h6s s SER 158 Cb -0.40 -1.89 0.27 0.00 -1.71 0.00 0.00 66.02 62.30 3h6s s SER 158 CO 0.52 0.28 1.29 -1.54 1.20 0.00 0.00 173.24 174.99 3h6s n SER 159 N 1.14 2.46 -0.10 5.45 3.41 -1.26 -3.12 113.62 121.59 3h6s n SER 159 Ca -0.13 -1.75 -0.19 0.00 -0.26 0.00 0.00 58.87 56.54 3h6s n SER 159 Cb 0.53 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 3h6s n SER 159 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h6s n LYS 160 N 0.74 0.47 -2.98 4.33 5.02 -1.26 -4.38 118.16 120.10 3h6s n LYS 160 Ca 0.13 0.17 -0.44 0.00 -2.02 0.00 0.00 58.31 56.15 3h6s n LYS 160 Cb 0.52 -1.31 -0.04 0.00 -0.02 0.00 0.00 35.03 34.18 3h6s n LYS 160 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3h6s s ASN 161 N -6.52 6.19 0.05 4.39 0.01 -1.26 -5.03 114.94 112.76 3h6s s ASN 161 Ca -0.29 -1.14 0.04 0.00 -0.71 0.00 0.00 52.86 50.76 3h6s s ASN 161 Cb 0.10 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 3h6s s ASN 161 CO 0.41 -1.27 -0.02 -0.76 -1.51 0.00 0.00 177.10 173.95 3h6s s LEU 162 N 3.41 3.39 0.00 0.60 1.43 -1.26 -4.39 118.68 121.86 3h6s s LEU 162 Ca 0.18 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3h6s s LEU 162 Cb -0.20 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 43.97 3h6s s LEU 162 CO 0.09 0.22 0.17 -0.90 0.23 0.00 0.00 176.35 176.16 3h6s n ASP 163 N 0.98 0.25 -4.01 2.29 5.75 -0.08 -4.89 116.55 116.84 3h6s n ASP 163 Ca -0.13 -1.03 -0.15 0.00 -0.01 0.00 0.00 54.79 53.47 3h6s n ASP 163 Cb 0.52 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.48 3h6s n ASP 163 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3h6s s HIS 164 N -0.03 0.61 -0.16 2.11 5.04 -0.77 -4.96 115.29 117.14 3h6s s HIS 164 Ca 0.00 -0.26 -0.02 0.00 -1.54 0.00 0.00 55.06 53.24 3h6s s HIS 164 Cb 0.00 -0.38 -0.02 0.00 0.04 0.00 0.00 32.58 32.23 3h6s s HIS 164 CO 0.00 -0.03 -0.09 0.20 -2.34 0.00 0.00 174.74 172.47 3h6s s GLY 165 N -0.73 1.59 0.10 1.59 0.00 -1.26 -0.30 107.32 108.31 3h6s s GLY 165 Ca -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.77 3h6s s GLY 165 CO 0.00 -0.02 0.07 3.33 0.00 0.00 0.00 173.10 176.48 3h6s n VAL 166 N 3.83 0.00 -3.86 1.40 0.24 0.35 -4.42 118.33 115.86 3h6s n VAL 166 Ca -0.18 -0.69 -0.27 0.00 -2.04 0.00 0.00 64.34 61.16 3h6s n VAL 166 Cb 0.52 0.31 -0.17 0.00 -1.47 0.00 0.00 33.84 33.03 3h6s n VAL 166 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h6s s LEU 167 N 0.00 1.25 -0.34 1.34 2.96 -1.03 -1.15 118.68 121.71 3h6s s LEU 167 Ca 0.09 -0.44 -0.26 0.00 -0.22 0.00 0.00 54.13 53.30 3h6s s LEU 167 Cb 0.00 -0.78 0.01 0.00 0.50 0.00 0.00 46.19 45.92 3h6s s LEU 167 CO 0.07 -0.17 0.93 -0.69 -1.32 0.00 0.00 176.35 175.17 3h6s s VAL 168 N 1.74 4.61 -1.35 1.68 1.01 0.08 -0.28 120.40 127.88 3h6s s VAL 168 Ca 0.03 1.33 0.13 0.00 0.00 0.00 0.00 61.98 63.47 3h6s s VAL 168 Cb -0.14 -4.31 0.26 0.00 0.00 0.00 0.00 36.38 32.19 3h6s s VAL 168 CO -0.08 -0.46 1.15 1.33 0.00 0.00 0.00 175.10 177.05 3h6s n VAL 169 N 5.85 0.58 -1.41 2.92 0.24 -0.50 -0.68 118.33 125.34 3h6s n VAL 169 Ca 0.08 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 3h6s n VAL 169 Cb 0.48 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 3h6s n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h6s n GLY 170 N 0.74 -1.89 3.43 7.63 0.00 -1.20 -0.70 105.19 113.21 3h6s n GLY 170 Ca 0.11 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3h6s n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h6s s TYR 171 N -2.39 -0.54 0.00 1.61 -0.85 -0.79 -0.08 117.35 114.32 3h6s s TYR 171 Ca 0.00 0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.93 3h6s s TYR 171 Cb 0.00 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.89 3h6s s TYR 171 CO 0.00 -0.83 0.00 0.41 -1.52 0.00 0.00 175.55 173.61 3h6s n GLY 172 N -0.29 0.97 3.19 5.49 0.00 -0.90 -1.16 105.19 112.48 3h6s n GLY 172 Ca -0.17 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 3h6s n GLY 172 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h6s s PHE 173 N -1.70 -0.18 0.22 1.61 -0.71 -1.26 -1.13 117.98 114.83 3h6s s PHE 173 Ca 0.00 0.34 -0.18 0.00 -1.04 0.00 0.00 56.93 56.05 3h6s s PHE 173 Cb 0.00 0.07 -0.08 0.00 -1.21 0.00 0.00 43.02 41.80 3h6s s PHE 173 CO 0.00 -0.30 0.69 -1.21 -1.34 0.00 0.00 175.22 173.06 3h6s s GLU 174 N -0.88 4.17 0.10 1.99 2.02 -0.04 -4.96 118.70 121.10 3h6s s GLU 174 Ca -0.10 0.77 0.00 0.00 0.02 0.00 0.00 54.97 55.66 3h6s s GLU 174 Cb -0.05 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3h6s s GLU 174 CO 0.02 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.10 3h6s n GLY 175 N 0.61 -1.83 0.00 -1.39 0.00 -1.26 -4.64 105.19 96.68 3h6s n GLY 175 Ca -0.02 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.08 3h6s n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6s n ALA 176 N 0.08 3.79 -3.27 4.61 0.00 -1.26 -4.89 120.51 119.57 3h6s n ALA 176 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 53.44 52.68 3h6s n ALA 176 Cb 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 3h6s n ALA 176 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3h6s s ASN 177 N -2.41 4.73 0.25 0.00 3.84 -1.26 -4.96 114.94 115.13 3h6s s ASN 177 Ca 0.05 -0.30 0.18 0.00 0.21 0.00 0.00 52.86 53.01 3h6s s ASN 177 Cb 0.11 -1.83 0.94 0.00 -0.55 0.00 0.00 41.25 39.91 3h6s s ASN 177 CO 0.58 -0.03 1.57 -1.54 -2.79 0.00 0.00 177.10 174.89 3h6s n SER 178 N 4.85 0.48 0.03 -4.21 3.41 -1.26 -1.24 113.62 115.68 3h6s n SER 178 Ca -0.17 0.69 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 3h6s n SER 178 Cb 0.51 -0.77 0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3h6s n SER 178 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3h6s n ASP 179 N -2.11 0.62 -4.83 4.04 8.00 -1.26 -4.84 116.55 116.17 3h6s n ASP 179 Ca -0.00 -0.23 -0.28 0.00 0.71 0.00 0.00 54.79 54.99 3h6s n ASP 179 Cb 0.07 0.75 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 3h6s n ASP 179 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3h6s s ASN 180 N -3.86 5.76 -1.35 -2.24 0.01 -0.37 -4.70 114.94 108.19 3h6s s ASN 180 Ca 0.04 0.00 -0.04 0.00 -0.71 0.00 0.00 52.86 52.16 3h6s s ASN 180 Cb 0.15 -1.60 0.02 0.00 0.41 0.00 0.00 41.25 40.23 3h6s s ASN 180 CO 0.80 0.10 0.83 -1.20 -1.51 0.00 0.00 177.10 176.12 3h6s n SER 181 N -0.10 -2.44 -4.78 -1.22 7.64 -1.26 -4.28 113.62 107.18 3h6s n SER 181 Ca -0.08 -0.77 -0.37 0.00 1.01 0.00 0.00 58.87 58.66 3h6s n SER 181 Cb 0.53 -4.18 -0.06 0.00 -1.01 0.00 0.00 64.21 59.49 3h6s n SER 181 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3h6s s LYS 182 N -6.10 4.59 0.18 1.43 1.02 -1.26 -0.86 119.74 118.74 3h6s s LYS 182 Ca 0.20 1.33 -0.02 0.00 0.02 0.00 0.00 55.97 57.49 3h6s s LYS 182 Cb -0.10 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 3h6s s LYS 182 CO 0.80 0.29 0.14 1.52 -0.92 0.00 0.00 175.35 177.19 3h6s s TYR 183 N -1.60 0.96 -0.13 3.18 -0.85 -0.28 -1.24 117.35 117.39 3h6s s TYR 183 Ca 0.50 -1.25 -0.03 0.00 -0.52 0.00 0.00 57.07 55.77 3h6s s TYR 183 Cb -0.19 -0.45 -0.03 0.00 0.38 0.00 0.00 41.96 41.67 3h6s s TYR 183 CO 0.24 -0.63 -0.01 -1.58 -1.52 0.00 0.00 175.55 172.05 3h6s s TRP 184 N -4.10 3.11 -0.19 -3.49 0.52 0.56 -2.13 118.94 113.22 3h6s s TRP 184 Ca 0.32 -0.02 -0.17 0.00 0.02 0.00 0.00 56.10 56.24 3h6s s TRP 184 Cb 0.06 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 3h6s s TRP 184 CO 0.08 0.22 0.45 -1.17 0.02 0.00 0.00 176.95 176.55 3h6s s LEU 185 N -0.19 4.17 -0.06 2.99 2.96 0.89 -1.17 118.68 128.26 3h6s s LEU 185 Ca 0.05 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 3h6s s LEU 185 Cb -0.13 -2.61 0.00 0.00 0.50 0.00 0.00 46.19 43.96 3h6s s LEU 185 CO 0.02 -0.11 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.08 3h6s s VAL 186 N 1.35 1.53 -0.19 1.68 1.01 0.49 -1.41 120.40 124.85 3h6s s VAL 186 Ca 0.22 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 3h6s s VAL 186 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3h6s s VAL 186 CO 0.09 0.44 0.42 -0.75 0.00 0.00 0.00 175.10 175.30 3h6s s LYS 187 N 0.25 4.20 0.55 2.72 2.20 0.61 -1.36 119.74 128.90 3h6s s LYS 187 Ca -0.10 0.26 0.08 0.00 -0.36 0.00 0.00 55.97 55.86 3h6s s LYS 187 Cb -0.14 -3.53 0.07 0.00 -1.51 0.00 0.00 37.83 32.72 3h6s s LYS 187 CO 0.04 -0.03 0.75 1.21 -0.36 0.00 0.00 175.35 176.97 3h6s s ASN 188 N 0.99 5.19 -0.28 1.43 3.84 -0.75 -2.45 114.94 122.91 3h6s s ASN 188 Ca 0.21 -0.67 0.13 0.00 0.21 0.00 0.00 52.86 52.74 3h6s s ASN 188 Cb -0.15 -0.01 0.48 0.00 -0.55 0.00 0.00 41.25 41.02 3h6s s ASN 188 CO 0.08 -1.23 1.16 -1.54 -2.79 0.00 0.00 177.10 172.78 3h6s n SER 189 N -2.20 3.57 -0.77 -4.21 3.41 -1.26 -4.50 113.62 107.66 3h6s n SER 189 Ca 0.13 -3.06 0.04 0.00 -0.26 0.00 0.00 58.87 55.73 3h6s n SER 189 Cb 0.61 -0.40 0.21 0.00 -0.26 0.00 0.00 64.21 64.37 3h6s n SER 189 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h6s n TRP 190 N -0.66 0.68 0.00 7.33 8.01 -1.19 -0.54 117.44 131.07 3h6s n TRP 190 Ca 0.29 -1.22 0.00 0.00 -1.31 0.00 0.00 57.50 55.26 3h6s n TRP 190 Cb 0.90 -0.33 0.00 0.00 -2.01 0.00 0.00 31.31 29.87 3h6s n TRP 190 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3h6s n GLY 191 N -0.99 -1.42 0.00 6.99 0.00 -0.29 -4.23 105.19 105.24 3h6s n GLY 191 Ca 0.24 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.80 3h6s n GLY 191 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h6s n PRO 192 N -1.07 0.11 0.13 1.61 -0.04 -1.26 -3.08 135.00 131.39 3h6s n PRO 192 Ca 0.00 0.12 0.01 0.00 -0.04 0.00 0.00 63.50 63.59 3h6s n PRO 192 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 3h6s n PRO 192 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h6s h GLU 193 N 0.00 0.00 -6.98 0.54 3.07 -1.89 -2.96 114.58 106.35 3h6s h GLU 193 Ca 0.00 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.37 3h6s h GLU 193 Cb 0.31 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.26 3h6s h GLU 193 CO 0.00 0.58 0.45 -0.46 -1.40 0.00 0.00 179.01 178.17 3h6s s TRP 194 N -3.02 3.07 0.00 4.33 -0.00 -1.18 -4.82 118.94 117.32 3h6s s TRP 194 Ca 0.03 1.59 0.00 0.00 -0.00 0.00 0.00 56.10 57.72 3h6s s TRP 194 Cb 0.09 -3.25 0.00 0.00 -0.00 0.00 0.00 33.47 30.31 3h6s s TRP 194 CO 0.75 -1.06 0.00 0.41 -0.00 0.00 0.00 176.95 177.05 3h6s n GLY 195 N 0.37 2.70 3.30 5.86 0.00 -1.19 0.36 105.19 116.59 3h6s n GLY 195 Ca 0.06 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 3h6s n GLY 195 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h6s s SER 196 N -4.00 6.82 -1.57 1.61 0.15 0.08 -4.43 113.70 112.36 3h6s s SER 196 Ca 0.00 -3.13 -0.03 0.00 0.70 0.00 0.00 55.95 53.49 3h6s s SER 196 Cb 0.00 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3h6s s SER 196 CO 0.00 -0.42 0.42 0.59 1.20 0.00 0.00 173.24 175.03 3h6s n ASN 197 N 3.33 -5.91 0.00 5.45 5.03 -1.23 -1.77 115.26 120.15 3h6s n ASN 197 Ca 0.18 -0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.43 3h6s n ASN 197 Cb 0.43 -4.79 0.00 0.00 -1.02 0.00 0.00 39.78 34.40 3h6s n ASN 197 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h6s n GLY 198 N -1.36 0.82 3.69 7.41 0.00 0.16 -4.65 105.19 111.26 3h6s n GLY 198 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3h6s n GLY 198 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h6s s TYR 199 N -2.58 2.84 0.01 1.61 2.02 -0.73 -1.82 117.35 118.71 3h6s s TYR 199 Ca 0.00 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 3h6s s TYR 199 Cb 0.00 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.24 3h6s s TYR 199 CO 0.00 0.56 -0.04 0.54 -1.57 0.00 0.00 175.55 175.05 3h6s s VAL 200 N -2.08 0.22 -0.24 0.71 0.11 -0.47 -0.74 120.40 117.91 3h6s s VAL 200 Ca 0.30 -0.56 -0.10 0.00 -2.93 0.00 0.00 61.98 58.70 3h6s s VAL 200 Cb -0.08 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 3h6s s VAL 200 CO 0.21 -0.22 0.14 -0.54 -3.33 0.00 0.00 175.10 171.35 3h6s s LYS 201 N -0.83 3.98 -0.13 1.54 1.02 -1.26 -0.38 119.74 123.68 3h6s s LYS 201 Ca -0.07 -0.32 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 3h6s s LYS 201 Cb -0.06 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 3h6s s LYS 201 CO -0.00 0.02 -0.07 0.42 -0.92 0.00 0.00 175.35 174.80 3h6s s ILE 202 N 1.14 3.62 -0.25 2.17 1.01 -0.32 -0.11 121.20 128.47 3h6s s ILE 202 Ca 0.07 -0.47 -0.42 0.00 0.00 0.00 0.00 60.65 59.82 3h6s s ILE 202 Cb -0.14 -2.55 -0.19 0.00 0.01 0.00 0.00 42.46 39.60 3h6s s ILE 202 CO 0.05 0.53 1.47 0.00 0.00 0.00 0.00 174.94 176.98 3h6s n ALA 203 N 3.21 -1.60 -2.66 9.38 0.00 -0.28 -0.33 120.51 128.23 3h6s n ALA 203 Ca -0.18 0.50 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 3h6s n ALA 203 Cb 0.53 -1.97 -0.09 0.00 0.00 0.00 0.00 19.45 17.91 3h6s n ALA 203 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h6s s LYS 204 N 2.05 2.67 -1.59 0.00 2.20 -0.38 -4.53 119.74 120.16 3h6s s LYS 204 Ca 0.97 -0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 55.87 3h6s s LYS 204 Cb -1.27 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 3h6s s LYS 204 CO 0.67 0.60 0.18 -0.25 -0.36 0.00 0.00 175.35 176.19 3h6s n ASP 205 N 1.21 -5.65 -2.89 1.43 10.43 -1.26 -4.61 116.55 115.22 3h6s n ASP 205 Ca -0.14 -0.10 -0.30 0.00 2.57 0.00 0.00 54.79 56.83 3h6s n ASP 205 Cb 0.52 -4.62 -0.02 0.00 1.84 0.00 0.00 41.12 38.85 3h6s n ASP 205 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3h6s n LYS 206 N -3.15 3.53 -3.65 -1.24 5.02 -1.26 -4.89 118.16 112.51 3h6s n LYS 206 Ca -0.19 -4.65 -0.24 0.00 -2.02 0.00 0.00 58.31 51.21 3h6s n LYS 206 Cb 0.66 -2.27 0.06 0.00 -0.02 0.00 0.00 35.03 33.46 3h6s n LYS 206 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h6s n ASN 207 N -0.31 -4.63 -2.50 4.39 4.05 -1.26 -3.43 115.26 111.57 3h6s n ASN 207 Ca 0.37 -0.64 -0.10 0.00 0.45 0.00 0.00 54.58 54.65 3h6s n ASN 207 Cb 0.44 -4.68 0.06 0.00 1.23 0.00 0.00 39.78 36.83 3h6s n ASN 207 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3h6s n ASN 208 N -3.00 -2.10 -4.66 1.20 5.15 -1.26 -4.91 115.26 105.68 3h6s n ASN 208 Ca -0.07 -0.38 -0.48 0.00 -0.60 0.00 0.00 54.58 53.04 3h6s n ASN 208 Cb 0.59 -3.35 -0.05 0.00 -0.53 0.00 0.00 39.78 36.44 3h6s n ASN 208 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3h6s n HIS 209 N -2.92 2.12 -1.15 1.20 -0.00 -1.22 -0.94 115.22 112.30 3h6s n HIS 209 Ca -0.17 0.31 -0.05 0.00 -0.00 0.00 0.00 57.72 57.80 3h6s n HIS 209 Cb 0.60 -2.52 -0.02 0.00 -0.00 0.00 0.00 29.99 28.05 3h6s n HIS 209 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h6s n GLY 211 N -0.07 1.02 0.37 0.00 0.00 -0.12 -0.77 105.19 105.62 3h6s n GLY 211 Ca -0.05 -0.48 0.19 0.00 0.00 0.00 0.00 46.02 45.68 3h6s n GLY 211 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3h6s h ILE 212 N 0.00 0.74 -0.15 -0.61 -0.00 -1.65 -0.44 117.51 115.40 3h6s h ILE 212 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.62 3h6s h ILE 212 Cb 0.84 0.77 0.00 0.00 -0.00 0.00 0.00 36.82 38.43 3h6s h ILE 212 CO 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 178.15 178.49 3h6s n ALA 213 N -2.61 2.46 0.14 0.16 0.00 -1.26 -4.55 120.51 114.86 3h6s n ALA 213 Ca 0.08 -0.75 0.01 0.00 0.00 0.00 0.00 53.44 52.78 3h6s n ALA 213 Cb 0.54 -0.88 0.17 0.00 0.00 0.00 0.00 19.45 19.27 3h6s n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h6s h THR 214 N 4.25 1.24 -0.68 0.00 1.03 -1.36 -1.57 112.91 115.82 3h6s h THR 214 Ca 0.00 -2.11 -0.31 0.00 -0.01 0.00 0.00 66.41 63.98 3h6s h THR 214 Cb 0.91 2.20 -0.34 0.00 -1.07 0.00 0.00 68.15 69.85 3h6s h THR 214 CO 0.00 0.57 -0.97 0.00 -0.01 0.00 0.00 175.52 175.11 3h6s n ALA 215 N -2.35 2.83 -1.92 0.00 0.00 -1.26 -4.30 120.51 113.51 3h6s n ALA 215 Ca -0.00 -2.60 -0.33 0.00 0.00 0.00 0.00 53.44 50.50 3h6s n ALA 215 Cb 0.64 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 3h6s n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h6s s ALA 216 N -2.36 3.13 -0.04 0.00 0.00 -1.26 -3.84 121.76 117.39 3h6s s ALA 216 Ca 0.25 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.20 3h6s s ALA 216 Cb 0.43 -3.03 0.11 0.00 0.00 0.00 0.00 23.12 20.63 3h6s s ALA 216 CO -0.00 0.18 0.92 -1.54 0.00 0.00 0.00 175.76 175.31 3h6s s SER 217 N -2.25 -0.36 -0.03 0.00 1.04 -0.05 -1.47 113.70 110.58 3h6s s SER 217 Ca 0.59 0.07 -0.06 0.00 0.48 0.00 0.00 55.95 57.03 3h6s s SER 217 Cb -0.09 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.39 3h6s s SER 217 CO 0.15 -0.56 0.15 -0.72 0.98 0.00 0.00 173.24 173.24 3h6s s TYR 218 N -2.75 -0.06 0.60 5.02 -0.85 -0.76 -1.47 117.35 117.09 3h6s s TYR 218 Ca 0.04 0.12 -0.12 0.00 -0.52 0.00 0.00 57.07 56.59 3h6s s TYR 218 Cb -0.01 -0.00 -0.05 0.00 0.38 0.00 0.00 41.96 42.29 3h6s s TYR 218 CO -0.07 -0.19 1.02 -1.25 -1.52 0.00 0.00 175.55 173.54 3h6s s PRO 219 N -0.72 3.63 -0.17 -3.49 0.04 -1.26 -0.16 135.00 132.86 3h6s s PRO 219 Ca -0.08 0.82 -0.06 0.00 0.04 0.00 0.00 61.00 61.72 3h6s s PRO 219 Cb -0.05 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3h6s s PRO 219 CO 0.01 -0.54 0.04 -0.80 0.04 0.00 0.00 177.00 175.74 3h6s s ASN 220 N -3.87 5.42 0.00 6.66 0.01 -0.40 -4.81 114.94 117.95 3h6s s ASN 220 Ca 0.56 0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.75 3h6s s ASN 220 Cb -0.11 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.64 3h6s s ASN 220 CO 0.49 0.18 0.46 1.33 -1.51 0.00 0.00 177.10 178.05