#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mug s GLN 3 N 0.00 0.80 -0.09 3.44 -0.21 0.69 -4.98 119.66 119.32 3mug s GLN 3 Ca 0.00 -1.05 -0.02 0.00 0.02 0.00 0.00 55.36 54.31 3mug s GLN 3 Cb 0.00 -0.60 0.03 0.00 1.00 0.00 0.00 33.01 33.44 3mug s GLN 3 CO 0.00 0.11 0.01 -0.51 -2.12 0.00 0.00 175.29 172.78 3mug s LEU 4 N -2.13 0.61 -0.25 2.90 1.43 -1.26 -1.63 118.68 118.34 3mug s LEU 4 Ca 0.01 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3mug s LEU 4 Cb -0.06 -0.43 0.05 0.00 0.03 0.00 0.00 46.19 45.78 3mug s LEU 4 CO 0.01 -0.22 -0.10 0.68 0.23 0.00 0.00 176.35 176.96 3mug s VAL 5 N 1.98 2.39 0.30 -1.59 -7.23 -0.26 -4.22 120.40 111.77 3mug s VAL 5 Ca 0.04 -1.42 -0.18 0.00 -1.81 0.00 0.00 61.98 58.62 3mug s VAL 5 Cb -0.13 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.40 3mug s VAL 5 CO -0.05 0.07 0.77 -1.61 -0.31 0.00 0.00 175.10 173.96 3mug s GLU 6 N 1.18 4.15 0.22 4.82 8.01 -1.26 -1.48 118.70 134.34 3mug s GLU 6 Ca -0.05 0.83 -0.12 0.00 0.01 0.00 0.00 54.97 55.64 3mug s GLU 6 Cb -0.19 -2.59 -0.00 0.00 -4.31 0.00 0.00 34.13 27.04 3mug s GLU 6 CO -0.05 0.23 0.41 -1.54 0.01 0.00 0.00 175.26 174.32 3mug s SER 7 N -2.00 -0.06 0.00 -0.19 1.04 -0.54 -4.78 113.70 107.16 3mug s SER 7 Ca 0.51 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3mug s SER 7 Cb -0.13 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3mug s SER 7 CO 0.19 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3mug n GLY 8 N -0.33 3.02 3.75 7.32 0.00 -1.26 -1.64 105.19 116.05 3mug n GLY 8 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3mug n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mug s GLY 9 N -2.79 1.71 0.00 -0.02 0.00 -1.26 -4.84 107.32 100.11 3mug s GLY 9 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.07 3mug s GLY 9 CO 0.00 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.42 3mug n GLY 10 N -0.90 -0.73 3.63 0.20 0.00 -0.09 -4.88 105.19 102.42 3mug n GLY 10 Ca 0.10 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 3mug n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mug s VAL 11 N -3.00 4.99 0.08 1.61 1.01 -1.26 -0.51 120.40 123.32 3mug s VAL 11 Ca 0.00 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.15 3mug s VAL 11 Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3mug s VAL 11 CO 0.00 0.04 -0.18 0.68 0.00 0.00 0.00 175.10 175.64 3mug s VAL 12 N 2.46 1.43 0.17 2.92 -7.23 0.59 -4.96 120.40 115.78 3mug s VAL 12 Ca 0.26 -1.34 -0.22 0.00 -1.81 0.00 0.00 61.98 58.86 3mug s VAL 12 Cb -0.16 -1.31 -0.08 0.00 0.56 0.00 0.00 36.38 35.40 3mug s VAL 12 CO 0.09 -0.07 0.73 -1.10 -0.31 0.00 0.00 175.10 174.43 3mug s GLN 13 N -1.64 4.40 0.57 4.82 -0.21 -1.26 -0.94 119.66 125.41 3mug s GLN 13 Ca 0.03 0.99 -0.20 0.00 0.02 0.00 0.00 55.36 56.20 3mug s GLN 13 Cb -0.10 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.75 3mug s GLN 13 CO 0.03 0.52 1.31 -1.25 -2.12 0.00 0.00 175.29 173.78 3mug s PRO 14 N -1.43 3.00 0.00 2.91 0.04 -1.26 -2.82 135.00 135.43 3mug s PRO 14 Ca 0.37 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3mug s PRO 14 Cb -0.20 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3mug s PRO 14 CO 0.23 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.42 3mug n GLY 15 N 0.73 1.05 3.96 0.56 0.00 0.24 -4.87 105.19 106.86 3mug n GLY 15 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3mug n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mug s GLY 16 N -1.77 1.76 0.10 -0.02 0.00 -1.13 -4.11 107.32 102.16 3mug s GLY 16 Ca 0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 44.72 43.53 3mug s GLY 16 CO 0.00 -0.89 0.26 -0.56 0.00 0.00 0.00 173.10 171.91 3mug s SER 17 N -4.41 6.38 -0.19 1.64 0.01 -1.26 -0.47 113.70 115.39 3mug s SER 17 Ca 0.56 0.31 -0.12 0.00 1.31 0.00 0.00 55.95 58.01 3mug s SER 17 Cb -0.10 -1.97 0.06 0.00 0.21 0.00 0.00 66.02 64.21 3mug s SER 17 CO 0.40 0.11 0.48 -0.22 0.41 0.00 0.00 173.24 174.42 3mug s LEU 18 N -2.74 -0.20 -0.20 2.44 2.96 -0.72 -4.97 118.68 115.26 3mug s LEU 18 Ca 0.36 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.28 3mug s LEU 18 Cb -0.12 1.62 -0.01 0.00 0.50 0.00 0.00 46.19 48.18 3mug s LEU 18 CO 0.28 -0.20 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.43 3mug s ARG 19 N 1.17 3.32 0.06 1.98 3.52 -1.26 0.24 118.95 127.98 3mug s ARG 19 Ca -0.07 -0.67 -0.05 0.00 -0.13 0.00 0.00 55.73 54.81 3mug s ARG 19 Cb -0.07 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 3mug s ARG 19 CO -0.11 -0.11 0.29 -0.51 -0.81 0.00 0.00 175.30 174.05 3mug s LEU 20 N 1.21 4.34 0.20 -0.88 1.43 0.24 -4.66 118.68 120.56 3mug s LEU 20 Ca 0.02 0.53 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 3mug s LEU 20 Cb -0.14 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 3mug s LEU 20 CO -0.03 0.18 -0.14 -0.44 0.23 0.00 0.00 176.35 176.15 3mug s SER 21 N -2.03 2.48 -0.22 2.29 0.01 -0.65 -1.98 113.70 113.60 3mug s SER 21 Ca 0.33 -1.02 -0.04 0.00 1.31 0.00 0.00 55.95 56.52 3mug s SER 21 Cb -0.13 -0.12 0.11 0.00 0.21 0.00 0.00 66.02 66.09 3mug s SER 21 CO 0.20 -0.19 0.37 0.00 0.41 0.00 0.00 173.24 174.03 3mug s LEU 23 N 2.54 4.16 0.02 0.00 2.96 -0.55 -0.76 118.68 127.04 3mug s LEU 23 Ca 0.07 0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 3mug s LEU 23 Cb -0.14 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 3mug s LEU 23 CO -0.14 -0.09 0.20 0.00 -1.32 0.00 0.00 176.35 175.00 3mug s ALA 24 N 1.32 3.97 0.07 5.97 0.00 0.07 -1.11 121.76 132.06 3mug s ALA 24 Ca 0.20 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 3mug s ALA 24 Cb -0.15 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.12 3mug s ALA 24 CO 0.08 0.77 0.33 -1.54 0.00 0.00 0.00 175.76 175.41 3mug s SER 25 N -2.13 -0.15 0.00 0.00 1.04 -0.64 -4.90 113.70 106.92 3mug s SER 25 Ca 0.30 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3mug s SER 25 Cb -0.13 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3mug s SER 25 CO 0.22 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3mug n GLY 26 N 0.23 0.50 3.50 7.32 0.00 -1.26 -0.23 105.19 115.26 3mug n GLY 26 Ca -0.17 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 3mug n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mug s PHE 27 N -2.00 -0.44 -0.97 1.61 -0.71 -1.26 -4.31 117.98 109.90 3mug s PHE 27 Ca 0.00 0.17 -0.21 0.00 -1.04 0.00 0.00 56.93 55.85 3mug s PHE 27 Cb 0.00 0.57 0.08 0.00 -1.21 0.00 0.00 43.02 42.46 3mug s PHE 27 CO 0.00 -0.92 1.30 -0.08 -1.34 0.00 0.00 175.22 174.18 3mug s THR 28 N -3.79 4.27 0.28 -4.49 -1.32 -1.26 -4.92 115.64 104.42 3mug s THR 28 Ca 0.03 -1.09 -0.06 0.00 -1.21 0.00 0.00 61.69 59.37 3mug s THR 28 Cb -0.02 -4.93 0.43 0.00 -1.51 0.00 0.00 72.50 66.47 3mug s THR 28 CO -0.09 -1.75 1.57 0.15 -2.21 0.00 0.00 174.62 172.29 3mug h PHE 29 N 9.38 -0.38 0.00 9.09 3.57 -1.95 -2.06 116.94 134.59 3mug h PHE 29 Ca 0.17 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3mug h PHE 29 Cb 1.02 0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.08 3mug h PHE 29 CO 1.23 -0.42 0.00 -2.39 -2.23 0.00 0.00 178.31 174.50 3mug n HIS 30 N -5.58 0.80 1.07 0.41 1.44 -1.26 -2.54 115.22 109.57 3mug n HIS 30 Ca 0.18 0.36 0.13 0.00 -2.01 0.00 0.00 57.72 56.38 3mug n HIS 30 Cb 0.56 -1.07 0.51 0.00 0.12 0.00 0.00 29.99 30.11 3mug n HIS 30 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3mug n LYS 31 N -2.27 0.11 -4.47 -1.40 4.76 -0.78 -4.39 118.16 109.73 3mug n LYS 31 Ca 0.01 -0.03 -0.26 0.00 -2.87 0.00 0.00 58.31 55.16 3mug n LYS 31 Cb 0.15 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.70 3mug n LYS 31 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3mug s TYR 32 N -2.91 1.90 0.52 2.13 2.02 -1.05 -4.87 117.35 115.08 3mug s TYR 32 Ca 0.16 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.28 3mug s TYR 32 Cb 0.19 -1.08 -0.07 0.00 -0.40 0.00 0.00 41.96 40.60 3mug s TYR 32 CO 0.57 0.17 1.03 0.20 -1.57 0.00 0.00 175.55 175.96 3mug s GLY 33 N -1.61 2.32 0.01 0.71 0.00 -1.26 -3.90 107.32 103.59 3mug s GLY 33 Ca 0.08 0.48 0.02 0.00 0.00 0.00 0.00 44.72 45.30 3mug s GLY 33 CO 0.03 0.79 -0.07 1.06 0.00 0.00 0.00 173.10 174.91 3mug s MET 34 N -3.61 0.54 0.32 2.90 1.00 -0.71 -0.73 119.30 119.00 3mug s MET 34 Ca 0.65 -0.43 0.10 0.00 0.00 0.00 0.00 55.69 56.01 3mug s MET 34 Cb -0.15 -0.46 -0.06 0.00 0.00 0.00 0.00 34.83 34.16 3mug s MET 34 CO 0.27 0.11 -0.13 -1.01 0.00 0.00 0.00 175.02 174.25 3mug s HIS 35 N -0.58 2.33 -0.09 -0.03 3.76 0.39 -1.12 115.29 119.95 3mug s HIS 35 Ca -0.02 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.48 3mug s HIS 35 Cb -0.05 -1.21 0.01 0.00 1.11 0.00 0.00 32.58 32.43 3mug s HIS 35 CO 0.00 0.62 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.75 3mug s TRP 36 N -2.59 2.07 -0.05 1.40 0.52 -0.49 -1.82 118.94 117.97 3mug s TRP 36 Ca 0.31 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.61 3mug s TRP 36 Cb -0.00 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 30.88 3mug s TRP 36 CO 0.16 -0.38 -0.15 0.08 0.02 0.00 0.00 176.95 176.67 3mug s VAL 37 N 0.58 1.31 0.26 4.03 1.01 0.08 -0.65 120.40 127.02 3mug s VAL 37 Ca -0.15 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.30 3mug s VAL 37 Cb -0.17 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3mug s VAL 37 CO 0.05 0.39 0.03 0.00 0.00 0.00 0.00 175.10 175.56 3mug s ARG 38 N 0.27 2.40 -0.26 2.72 1.70 0.78 0.74 118.95 127.29 3mug s ARG 38 Ca -0.08 -1.34 -0.03 0.00 -0.47 0.00 0.00 55.73 53.81 3mug s ARG 38 Cb -0.13 -2.24 0.10 0.00 -0.57 0.00 0.00 34.95 32.11 3mug s ARG 38 CO 0.03 0.38 0.18 -1.14 -1.08 0.00 0.00 175.30 173.66 3mug s GLN 39 N -3.63 0.20 0.59 3.89 0.74 0.79 -0.31 119.66 121.92 3mug s GLN 39 Ca 0.31 -0.27 -0.18 0.00 0.05 0.00 0.00 55.36 55.27 3mug s GLN 39 Cb -0.07 -1.14 -0.04 0.00 1.10 0.00 0.00 33.01 32.86 3mug s GLN 39 CO 0.20 -0.92 1.15 0.00 -0.55 0.00 0.00 175.29 175.17 3mug s ALA 40 N 2.20 2.59 -0.07 1.58 0.00 -1.26 -0.88 121.76 125.91 3mug s ALA 40 Ca 0.08 0.82 -0.37 0.00 0.00 0.00 0.00 51.96 52.49 3mug s ALA 40 Cb -0.15 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 3mug s ALA 40 CO -0.28 -1.02 1.66 -2.30 0.00 0.00 0.00 175.76 173.82 3mug n PRO 41 N -1.66 1.59 -1.13 0.00 -0.02 -1.26 -0.76 135.00 131.76 3mug n PRO 41 Ca 0.12 0.58 -0.04 0.00 -2.02 0.00 0.00 63.50 62.13 3mug n PRO 41 Cb 0.51 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 3mug n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mug n GLY 42 N 3.73 0.55 3.87 -1.23 0.00 -1.26 -4.99 105.19 105.86 3mug n GLY 42 Ca 0.22 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3mug n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mug s LYS 43 N -1.98 2.29 0.84 1.61 -0.14 0.06 -5.15 119.74 117.28 3mug s LYS 43 Ca 0.00 -1.93 -0.12 0.00 -1.36 0.00 0.00 55.97 52.56 3mug s LYS 43 Cb 0.00 -2.12 0.12 0.00 -1.68 0.00 0.00 37.83 34.16 3mug s LYS 43 CO 0.00 -0.48 1.20 0.20 -0.76 0.00 0.00 175.35 175.50 3mug s GLY 44 N -4.20 1.68 0.20 -3.33 0.00 -1.26 -4.67 107.32 95.74 3mug s GLY 44 Ca 0.37 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 3mug s GLY 44 CO 0.22 -0.37 1.19 1.08 0.00 0.00 0.00 173.10 175.22 3mug s LEU 45 N -5.62 4.46 -0.10 0.66 1.43 -1.26 -4.30 118.68 113.95 3mug s LEU 45 Ca 0.66 2.25 -0.01 0.00 -1.03 0.00 0.00 54.13 56.00 3mug s LEU 45 Cb -0.08 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.56 3mug s LEU 45 CO 0.50 -0.35 -0.01 -0.70 0.23 0.00 0.00 176.35 176.01 3mug s GLU 46 N -0.42 0.77 0.21 1.70 2.12 0.57 -4.99 118.70 118.67 3mug s GLU 46 Ca 0.52 -0.04 -0.31 0.00 0.36 0.00 0.00 54.97 55.50 3mug s GLU 46 Cb -0.33 -1.27 -0.10 0.00 0.26 0.00 0.00 34.13 32.69 3mug s GLU 46 CO 0.38 -0.35 1.55 -0.46 -0.54 0.00 0.00 175.26 175.83 3mug s TRP 47 N 1.91 3.00 -0.15 5.30 -0.00 -1.26 -0.16 118.94 127.58 3mug s TRP 47 Ca 0.04 0.73 -0.13 0.00 -0.00 0.00 0.00 56.10 56.75 3mug s TRP 47 Cb -0.13 -3.94 -0.06 0.00 -0.00 0.00 0.00 33.47 29.34 3mug s TRP 47 CO -0.06 -3.32 -0.27 0.28 -0.00 0.00 0.00 176.95 173.58 3mug n VAL 48 N 3.29 1.33 -3.53 5.86 0.31 0.17 -4.66 118.33 121.11 3mug n VAL 48 Ca 0.11 0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.38 3mug n VAL 48 Cb 0.39 -2.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 3mug n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mug s ALA 49 N -2.58 -1.66 0.02 3.52 0.00 -1.07 -0.69 121.76 119.30 3mug s ALA 49 Ca -0.25 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.33 3mug s ALA 49 Cb 0.06 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 3mug s ALA 49 CO 0.34 -0.79 -0.08 -1.17 0.00 0.00 0.00 175.76 174.07 3mug s LEU 50 N -2.68 2.14 -0.05 0.00 2.96 -0.49 -1.40 118.68 119.17 3mug s LEU 50 Ca 0.05 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3mug s LEU 50 Cb -0.01 -0.28 0.02 0.00 0.50 0.00 0.00 46.19 46.42 3mug s LEU 50 CO -0.08 -0.05 -0.06 -0.51 -1.32 0.00 0.00 176.35 174.33 3mug s ILE 51 N -0.75 0.68 0.82 6.68 2.07 -0.27 -0.81 121.20 129.62 3mug s ILE 51 Ca -0.03 -0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 58.90 3mug s ILE 51 Cb -0.06 -0.68 0.09 0.00 0.13 0.00 0.00 42.46 41.93 3mug s ILE 51 CO 0.00 0.26 1.12 -0.94 -1.91 0.00 0.00 174.94 173.47 3mug s SER 52 N 0.88 3.89 0.28 4.50 1.04 0.43 -1.73 113.70 122.99 3mug s SER 52 Ca -0.11 2.00 -0.00 0.00 0.48 0.00 0.00 55.95 58.32 3mug s SER 52 Cb -0.15 -2.54 0.65 0.00 0.10 0.00 0.00 66.02 64.08 3mug s SER 52 CO 0.01 -2.45 1.62 -2.24 0.98 0.00 0.00 173.24 171.15 3mug h ASP 52 N -1.33 -0.24 0.89 7.02 2.03 -1.82 -0.38 116.42 122.60 3mug h ASP 52 Ca -0.44 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 3mug h ASP 52 Cb 1.25 0.36 0.00 0.00 -0.83 0.00 0.00 39.33 40.11 3mug h ASP 52 CO 0.47 -0.23 -0.17 -0.90 -1.03 0.00 0.00 179.24 177.39 3mug n ASP 53 N -5.34 0.23 -0.02 4.15 5.68 -1.26 -4.74 116.55 115.25 3mug n ASP 53 Ca 0.20 0.28 -0.00 0.00 -0.50 0.00 0.00 54.79 54.77 3mug n ASP 53 Cb 0.65 -0.29 -0.00 0.00 -1.14 0.00 0.00 41.12 40.35 3mug n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mug n GLY 54 N 1.48 0.47 0.08 6.12 0.00 -0.15 -4.94 105.19 108.25 3mug n GLY 54 Ca 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 3mug n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3mug n MET 55 N -2.90 0.63 -4.01 1.61 2.81 -1.26 -4.82 117.12 109.17 3mug n MET 55 Ca -0.00 0.26 -0.35 0.00 -1.81 0.00 0.00 57.70 55.80 3mug n MET 55 Cb 0.02 -1.79 -0.14 0.00 -0.71 0.00 0.00 33.22 30.61 3mug n MET 55 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3mug s ARG 56 N -2.70 3.38 -0.03 0.03 0.52 -1.26 -5.01 118.95 113.88 3mug s ARG 56 Ca -0.04 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 3mug s ARG 56 Cb 0.08 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 3mug s ARG 56 CO 0.82 -0.14 -0.20 0.15 0.02 0.00 0.00 175.30 175.96 3mug s LYS 57 N 1.32 1.83 -0.03 3.54 1.02 -1.26 -0.43 119.74 125.72 3mug s LYS 57 Ca 0.04 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.36 3mug s LYS 57 Cb -0.14 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 3mug s LYS 57 CO -0.03 0.34 -0.10 0.71 -0.92 0.00 0.00 175.35 175.36 3mug s TYR 58 N -0.21 1.09 0.05 3.18 1.51 0.01 -5.00 117.35 117.99 3mug s TYR 58 Ca 0.01 -0.29 0.06 0.00 -1.01 0.00 0.00 57.07 55.84 3mug s TYR 58 Cb -0.10 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 3mug s TYR 58 CO 0.01 -0.12 -0.16 -1.01 -1.11 0.00 0.00 175.55 173.16 3mug s HIS 59 N 0.20 1.38 0.76 2.71 3.76 -1.26 -1.39 115.29 121.45 3mug s HIS 59 Ca -0.04 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 3mug s HIS 59 Cb -0.09 -0.80 0.05 0.00 1.11 0.00 0.00 32.58 32.84 3mug s HIS 59 CO 0.01 0.07 1.10 -1.54 -0.85 0.00 0.00 174.74 173.53 3mug s SER 60 N -1.35 4.53 0.39 1.40 1.04 0.14 -4.78 113.70 115.07 3mug s SER 60 Ca 0.02 1.89 0.17 0.00 0.48 0.00 0.00 55.95 58.51 3mug s SER 60 Cb -0.09 -2.53 0.82 0.00 0.10 0.00 0.00 66.02 64.33 3mug s SER 60 CO 0.02 -2.02 1.84 0.44 0.98 0.00 0.00 173.24 174.50 3mug h ASP 61 N -0.92 0.00 1.22 7.02 3.32 -1.94 0.18 116.42 125.31 3mug h ASP 61 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3mug h ASP 61 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3mug h ASP 61 CO 0.51 0.34 0.00 0.77 -1.72 0.00 0.00 179.24 179.14 3mug h SER 62 N 0.00 0.00 0.00 6.45 4.64 -1.95 -3.30 113.55 119.39 3mug h SER 62 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mug h SER 62 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3mug h SER 62 CO 0.04 0.00 -1.24 0.23 -0.87 0.00 0.00 176.83 175.00 3mug n MET 63 N -2.70 0.20 -1.65 4.77 2.81 -1.04 -4.96 117.12 114.55 3mug n MET 63 Ca 0.03 -0.05 -0.47 0.00 -1.81 0.00 0.00 57.70 55.40 3mug n MET 63 Cb 0.35 -1.12 -0.05 0.00 -0.71 0.00 0.00 33.22 31.69 3mug n MET 63 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 3mug n TRP 64 N -1.69 2.09 0.00 2.03 5.03 0.02 -1.47 117.44 123.45 3mug n TRP 64 Ca -0.01 0.36 0.00 0.00 3.03 0.00 0.00 57.50 60.88 3mug n TRP 64 Cb 0.14 -2.49 0.00 0.00 -1.03 0.00 0.00 31.31 27.93 3mug n TRP 64 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3mug n GLY 65 N 3.20 2.95 0.13 6.99 0.00 -1.26 -4.82 105.19 112.38 3mug n GLY 65 Ca 0.17 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3mug n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mug n ARG 66 N 0.00 0.65 -4.28 1.61 1.74 -0.55 -5.02 116.66 110.82 3mug n ARG 66 Ca 0.00 0.37 -0.26 0.00 -0.77 0.00 0.00 57.85 57.19 3mug n ARG 66 Cb 0.00 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 29.68 3mug n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3mug s VAL 67 N -2.47 3.32 -0.06 1.55 -7.23 -0.92 -4.48 120.40 110.10 3mug s VAL 67 Ca -0.28 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 3mug s VAL 67 Cb 0.08 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.37 3mug s VAL 67 CO 0.65 -0.15 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.33 3mug s THR 68 N -1.80 0.74 -0.05 5.32 2.01 -0.32 -4.85 115.64 116.69 3mug s THR 68 Ca 0.26 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 3mug s THR 68 Cb -0.08 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 3mug s THR 68 CO 0.16 0.28 0.26 -0.51 -0.69 0.00 0.00 174.62 174.13 3mug s ILE 69 N 0.97 5.29 0.22 1.82 2.07 -1.26 -0.34 121.20 129.97 3mug s ILE 69 Ca -0.10 0.44 -0.14 0.00 -1.41 0.00 0.00 60.65 59.44 3mug s ILE 69 Cb -0.14 -3.55 0.00 0.00 0.13 0.00 0.00 42.46 38.90 3mug s ILE 69 CO 0.00 0.56 0.47 -0.94 -1.91 0.00 0.00 174.94 173.11 3mug s SER 70 N -1.18 -0.12 0.01 4.50 1.04 -1.07 -5.01 113.70 111.88 3mug s SER 70 Ca 0.21 -0.79 -0.15 0.00 0.48 0.00 0.00 55.95 55.70 3mug s SER 70 Cb -0.14 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.57 3mug s SER 70 CO 0.10 -1.09 0.32 0.00 0.98 0.00 0.00 173.24 173.55 3mug s ARG 71 N -3.97 0.75 -0.43 4.02 1.70 -1.26 -0.35 118.95 119.41 3mug s ARG 71 Ca 0.18 -0.32 0.03 0.00 -0.47 0.00 0.00 55.73 55.14 3mug s ARG 71 Cb -0.00 0.33 0.12 0.00 -0.57 0.00 0.00 34.95 34.83 3mug s ARG 71 CO 0.04 -0.23 0.19 0.34 -1.08 0.00 0.00 175.30 174.57 3mug s ASP 72 N -1.67 4.17 0.15 -2.89 3.68 -0.19 -4.99 116.67 114.94 3mug s ASP 72 Ca -0.09 -2.56 0.13 0.00 2.13 0.00 0.00 52.55 52.15 3mug s ASP 72 Cb -0.03 -1.36 0.63 0.00 -1.45 0.00 0.00 42.92 40.71 3mug s ASP 72 CO 0.01 -0.29 1.39 0.59 0.13 0.00 0.00 175.17 177.00 3mug n ASN 73 N 3.67 0.29 0.08 -0.34 3.02 -1.26 -1.32 115.26 119.40 3mug n ASN 73 Ca 0.05 0.62 0.04 0.00 -0.03 0.00 0.00 54.58 55.26 3mug n ASN 73 Cb 0.36 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 3mug n ASN 73 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3mug h SER 74 N 0.00 0.00 -0.17 6.41 4.64 -1.96 -3.36 113.55 119.11 3mug h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mug h SER 74 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3mug h SER 74 CO 0.00 0.37 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 3mug n LYS 75 N -2.88 1.67 -3.45 4.77 5.02 -0.43 -5.01 118.16 117.84 3mug n LYS 75 Ca -0.05 -1.59 -0.25 0.00 -2.02 0.00 0.00 58.31 54.40 3mug n LYS 75 Cb 0.73 -1.24 0.02 0.00 -0.02 0.00 0.00 35.03 34.52 3mug n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mug n ASN 76 N 0.56 -4.81 -4.26 4.39 4.13 -0.53 -4.87 115.26 109.87 3mug n ASN 76 Ca 0.09 -0.49 -0.28 0.00 1.68 0.00 0.00 54.58 55.58 3mug n ASN 76 Cb 0.35 -3.89 -0.15 0.00 -1.54 0.00 0.00 39.78 34.54 3mug n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3mug s THR 77 N -3.12 1.79 -0.02 3.41 2.01 -1.15 -0.75 115.64 117.80 3mug s THR 77 Ca 0.46 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.46 3mug s THR 77 Cb -0.23 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 3mug s THR 77 CO 0.57 0.45 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.67 3mug s LEU 78 N -0.68 3.23 0.17 4.42 2.96 0.06 -1.02 118.68 127.82 3mug s LEU 78 Ca 0.09 -0.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3mug s LEU 78 Cb -0.09 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3mug s LEU 78 CO -0.00 0.31 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.89 3mug s TYR 79 N -0.95 1.55 -0.08 5.38 2.02 0.53 -0.99 117.35 124.80 3mug s TYR 79 Ca 0.16 -0.61 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 3mug s TYR 79 Cb -0.11 -0.75 0.04 0.00 -0.40 0.00 0.00 41.96 40.73 3mug s TYR 79 CO 0.06 0.25 0.08 -1.17 -1.57 0.00 0.00 175.55 173.19 3mug s LEU 80 N -3.05 0.17 -0.18 -1.29 2.96 -0.84 -2.60 118.68 113.85 3mug s LEU 80 Ca 0.18 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.96 3mug s LEU 80 Cb -0.01 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.52 3mug s LEU 80 CO 0.04 -0.28 0.01 -1.58 -1.32 0.00 0.00 176.35 173.23 3mug s GLN 81 N 2.17 3.76 0.27 1.98 2.00 0.53 -0.60 119.66 129.78 3mug s GLN 81 Ca 0.04 -0.46 0.03 0.00 -2.00 0.00 0.00 55.36 52.98 3mug s GLN 81 Cb -0.13 -3.08 0.03 0.00 0.80 0.00 0.00 33.01 30.63 3mug s GLN 81 CO -0.05 0.17 0.27 1.19 -0.50 0.00 0.00 175.29 176.37 3mug n PHE 82 N 3.79 -1.71 0.00 1.67 3.72 0.14 -1.18 117.46 123.89 3mug n PHE 82 Ca -0.17 -1.07 0.00 0.00 -0.05 0.00 0.00 57.45 56.16 3mug n PHE 82 Cb 0.52 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 3mug n PHE 82 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3mug n SER 82 N -2.23 0.00 -4.76 4.37 2.88 -1.09 -1.76 113.62 111.03 3mug n SER 82 Ca 0.03 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.20 3mug n SER 82 Cb 0.29 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.77 3mug n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3mug s LEU 82 N 0.00 3.77 0.08 2.46 1.43 0.38 -4.64 118.68 122.16 3mug s LEU 82 Ca 0.00 2.36 0.09 0.00 -1.03 0.00 0.00 54.13 55.56 3mug s LEU 82 Cb 0.00 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.70 3mug s LEU 82 CO 0.00 -1.37 -0.25 -1.59 0.23 0.00 0.00 176.35 173.37 3mug s LYS 83 N -3.15 1.52 0.59 1.70 0.00 -1.26 0.79 119.74 119.93 3mug s LYS 83 Ca 0.73 -1.17 0.29 0.00 0.00 0.00 0.00 55.97 55.82 3mug s LYS 83 Cb -0.30 -1.80 1.50 0.00 0.00 0.00 0.00 37.83 37.24 3mug s LYS 83 CO 0.33 0.45 1.92 -0.39 0.00 0.00 0.00 175.35 177.66 3mug h VAL 84 N 4.12 0.36 -0.00 1.79 -1.51 -1.98 0.14 116.25 119.17 3mug h VAL 84 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3mug h VAL 84 Cb 1.16 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3mug h VAL 84 CO 0.42 0.00 -0.04 -0.62 -1.23 0.00 0.00 177.57 176.10 3mug n GLU 85 N -3.68 0.09 0.00 5.19 4.71 -1.26 -3.53 120.64 122.16 3mug n GLU 85 Ca 0.07 -0.01 0.13 0.00 -0.01 0.00 0.00 57.16 57.34 3mug n GLU 85 Cb 0.61 -1.50 0.62 0.00 -1.01 0.00 0.00 31.44 30.16 3mug n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3mug n ASP 86 N -1.45 0.00 -4.66 1.62 8.00 0.49 -4.84 116.55 115.71 3mug n ASP 86 Ca 0.08 0.07 -0.46 0.00 0.71 0.00 0.00 54.79 55.20 3mug n ASP 86 Cb 0.32 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.04 3mug n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mug n THR 87 N -1.34 0.63 -3.63 -3.53 -1.04 -1.23 -4.91 114.28 99.23 3mug n THR 87 Ca 0.11 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3mug n THR 87 Cb 0.23 -2.09 -0.01 0.00 -1.82 0.00 0.00 70.33 66.64 3mug n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mug s ALA 88 N 4.68 -2.15 -0.07 2.41 0.00 -0.79 -4.40 121.76 121.45 3mug s ALA 88 Ca 0.93 0.74 -0.21 0.00 0.00 0.00 0.00 51.96 53.41 3mug s ALA 88 Cb -0.57 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3mug s ALA 88 CO 0.47 -1.00 0.60 -1.64 0.00 0.00 0.00 175.76 174.19 3mug s MET 89 N -2.53 4.38 -0.28 0.00 -1.94 -0.06 -0.69 119.30 118.16 3mug s MET 89 Ca 0.13 0.70 -0.07 0.00 -1.71 0.00 0.00 55.69 54.74 3mug s MET 89 Cb 0.03 -3.42 -0.01 0.00 2.01 0.00 0.00 34.83 33.45 3mug s MET 89 CO -0.03 0.17 0.09 -0.06 -0.01 0.00 0.00 175.02 175.17 3mug s PHE 90 N 0.51 3.13 -0.05 -0.03 0.08 0.52 -0.15 117.98 121.98 3mug s PHE 90 Ca 0.32 -0.73 -0.03 0.00 0.12 0.00 0.00 56.93 56.61 3mug s PHE 90 Cb -0.17 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 3mug s PHE 90 CO 0.15 -0.49 0.09 -0.06 -0.10 0.00 0.00 175.22 174.82 3mug s PHE 91 N 1.56 3.38 -0.24 0.36 0.08 0.23 -1.55 117.98 121.79 3mug s PHE 91 Ca 0.04 0.31 -0.08 0.00 0.12 0.00 0.00 56.93 57.32 3mug s PHE 91 Cb -0.16 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 3mug s PHE 91 CO 0.03 0.60 0.10 0.00 -0.10 0.00 0.00 175.22 175.85 3mug s ALA 93 N 1.36 1.15 0.03 0.00 0.00 -0.76 -1.24 121.76 122.30 3mug s ALA 93 Ca 0.06 -0.70 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 3mug s ALA 93 Cb -0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 3mug s ALA 93 CO 0.05 0.25 0.57 0.50 0.00 0.00 0.00 175.76 177.12 3mug s ARG 94 N -0.69 4.23 -0.20 0.00 3.52 0.42 -0.46 118.95 125.77 3mug s ARG 94 Ca 0.04 0.71 -0.27 0.00 -0.13 0.00 0.00 55.73 56.07 3mug s ARG 94 Cb -0.06 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 30.04 3mug s ARG 94 CO 0.00 0.52 0.94 -2.00 -0.81 0.00 0.00 175.30 173.96 3mug s GLU 95 N -0.69 4.27 0.37 5.12 2.56 0.09 -2.26 118.70 128.17 3mug s GLU 95 Ca 0.29 1.19 -0.28 0.00 0.00 0.00 0.00 54.97 56.18 3mug s GLU 95 Cb -0.19 -3.61 -0.11 0.00 2.00 0.00 0.00 34.13 32.22 3mug s GLU 95 CO 0.18 -0.49 1.44 0.00 -0.56 0.00 0.00 175.26 175.82 3mug s ALA 96 N 2.72 3.53 0.21 6.30 0.00 0.20 -4.21 121.76 130.50 3mug s ALA 96 Ca 0.41 1.50 -0.23 0.00 0.00 0.00 0.00 51.96 53.64 3mug s ALA 96 Cb -0.16 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.43 3mug s ALA 96 CO 0.09 -0.98 0.84 0.20 0.00 0.00 0.00 175.76 175.92 3mug s GLY 97 N -0.25 -0.18 0.00 0.00 0.00 -1.26 -0.43 107.32 105.19 3mug s GLY 97 Ca 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.20 3mug s GLY 97 CO 0.60 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 174.28 3mug n GLY 98 N -0.46 -0.67 3.82 0.20 0.00 -0.68 -4.93 105.19 102.46 3mug n GLY 98 Ca -0.05 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 3mug n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mug s PRO 99 N -1.68 2.95 -0.15 1.61 0.04 -1.26 -0.89 135.00 135.62 3mug s PRO 99 Ca 0.00 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 61.87 3mug s PRO 99 Cb 0.00 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3mug s PRO 99 CO 0.00 -1.09 0.24 0.42 0.04 0.00 0.00 177.00 176.61 3mug s ILE 100 N -3.05 5.34 -0.11 0.56 -1.09 0.64 -4.82 121.20 118.67 3mug s ILE 100 Ca 0.58 0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 59.30 3mug s ILE 100 Cb -0.14 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 3mug s ILE 100 CO 0.55 0.45 0.28 0.26 -1.23 0.00 0.00 174.94 175.25 3mug s TRP 100 N 0.12 3.56 -0.32 3.97 0.52 -1.26 0.29 118.94 125.82 3mug s TRP 100 Ca 0.14 0.67 0.17 0.00 0.02 0.00 0.00 56.10 57.10 3mug s TRP 100 Cb -0.13 -2.23 0.45 0.00 -1.15 0.00 0.00 33.47 30.42 3mug s TRP 100 CO 0.03 0.46 1.20 1.58 0.02 0.00 0.00 176.95 180.24 3mug n HIS 100 N 2.77 -0.21 0.00 -1.98 -0.00 -1.26 -4.93 115.22 109.61 3mug n HIS 100 Ca -0.14 -2.20 0.00 0.00 0.46 0.00 0.00 57.72 55.83 3mug n HIS 100 Cb 0.53 0.46 0.00 0.00 -0.12 0.00 0.00 29.99 30.86 3mug n HIS 100 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 3mug n ASP 100 N -0.64 0.00 -4.04 0.26 4.64 -1.26 -4.83 116.55 110.69 3mug n ASP 100 Ca 0.00 0.00 -0.27 0.00 -1.38 0.00 0.00 54.79 53.14 3mug n ASP 100 Cb 0.83 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.75 3mug n ASP 100 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3mug s VAL 100 N 0.00 1.38 -0.14 5.18 1.01 -1.26 -5.13 120.40 121.44 3mug s VAL 100 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 3mug s VAL 100 Cb 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3mug s VAL 100 CO 0.00 0.42 1.11 -0.54 0.00 0.00 0.00 175.10 176.08 3mug s LYS 100 N 0.96 4.33 0.39 2.72 1.02 -1.26 -4.23 119.74 123.67 3mug s LYS 100 Ca -0.08 1.50 0.08 0.00 0.02 0.00 0.00 55.97 57.49 3mug s LYS 100 Cb -0.15 -3.61 -0.06 0.00 -0.52 0.00 0.00 37.83 33.49 3mug s LYS 100 CO -0.01 -0.50 0.07 0.71 -0.92 0.00 0.00 175.35 174.71 3mug s TYR 100 N 2.64 2.56 0.53 3.18 1.51 0.15 -4.93 117.35 122.98 3mug s TYR 100 Ca 0.50 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 3mug s TYR 100 Cb -0.20 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 3mug s TYR 100 CO 0.15 0.36 0.13 0.34 -1.11 0.00 0.00 175.55 175.41 3mug s ASP 100 N -3.78 4.30 0.37 2.29 2.15 0.95 -0.26 116.67 122.68 3mug s ASP 100 Ca 0.37 -1.56 -0.27 0.00 0.43 0.00 0.00 52.55 51.53 3mug s ASP 100 Cb 0.04 0.57 -0.12 0.00 -0.30 0.00 0.00 42.92 43.12 3mug s ASP 100 CO 0.20 -0.97 1.21 0.49 -0.17 0.00 0.00 175.17 175.94 3mug n PHE 100 N -1.44 1.97 -3.65 -5.34 3.72 -1.26 -2.94 117.46 108.52 3mug n PHE 100 Ca -0.15 0.56 -0.23 0.00 -0.05 0.00 0.00 57.45 57.58 3mug n PHE 100 Cb 0.66 -2.36 0.06 0.00 -0.94 0.00 0.00 39.48 36.90 3mug n PHE 100 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3mug n ASN 100 N 0.63 -3.68 -1.10 4.37 3.02 -1.26 -2.56 115.26 114.69 3mug n ASN 100 Ca 0.06 -0.68 -0.14 0.00 -0.03 0.00 0.00 54.58 53.79 3mug n ASN 100 Cb 0.37 -4.57 -0.06 0.00 -0.61 0.00 0.00 39.78 34.90 3mug n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mug n ASP 100 N -3.02 -5.67 -3.76 6.41 8.00 -1.15 -5.20 116.55 112.17 3mug n ASP 100 Ca -0.13 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3mug n ASP 100 Cb 0.61 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 3mug n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mug n GLY 100 N 0.03 -2.40 2.96 0.44 0.00 -1.06 -4.74 105.19 100.42 3mug n GLY 100 Ca -0.14 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 3mug n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mug s TYR 100 N 0.00 0.30 0.32 1.61 2.02 -0.06 -0.03 117.35 121.51 3mug s TYR 100 Ca 0.00 -0.29 -0.27 0.00 -0.37 0.00 0.00 57.07 56.14 3mug s TYR 100 Cb 0.00 -0.20 -0.09 0.00 -0.40 0.00 0.00 41.96 41.27 3mug s TYR 100 CO 0.00 -0.08 1.05 -0.80 -1.57 0.00 0.00 175.55 174.14 3mug s ASN 100 N -0.83 7.13 0.00 2.29 0.01 -1.26 -1.69 114.94 120.58 3mug s ASN 100 Ca -0.07 2.10 0.22 0.00 -0.71 0.00 0.00 52.86 54.40 3mug s ASN 100 Cb -0.06 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 3mug s ASN 100 CO -0.00 -0.23 1.08 -1.22 -1.51 0.00 0.00 177.10 175.22 3mug n TYR 100 N 0.68 0.00 -3.22 2.20 4.01 0.42 -4.94 117.16 116.32 3mug n TYR 100 Ca 0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 3mug n TYR 100 Cb 0.47 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.57 3mug n TYR 100 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3mug n HIS 100 N 0.01 -1.96 -3.52 -0.72 8.25 -1.26 -5.01 115.22 111.01 3mug n HIS 100 Ca 0.09 0.75 -0.16 0.00 -0.26 0.00 0.00 57.72 58.14 3mug n HIS 100 Cb 0.47 -4.18 -0.05 0.00 1.12 0.00 0.00 29.99 27.34 3mug n HIS 100 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3mug s TYR 100 N -3.26 -0.59 -0.42 4.41 -0.85 -1.26 -5.06 117.35 110.33 3mug s TYR 100 Ca 0.25 0.85 -0.13 0.00 -0.52 0.00 0.00 57.07 57.52 3mug s TYR 100 Cb -0.11 0.42 0.05 0.00 0.38 0.00 0.00 41.96 42.70 3mug s TYR 100 CO 0.55 -0.65 0.29 -1.64 -1.52 0.00 0.00 175.55 172.58 3mug s MET 100 N -1.88 2.86 0.13 -3.49 -1.94 -1.26 -0.63 119.30 113.10 3mug s MET 100 Ca -0.08 -1.21 0.20 0.00 -1.71 0.00 0.00 55.69 52.90 3mug s MET 100 Cb -0.00 -3.92 -0.08 0.00 2.01 0.00 0.00 34.83 32.84 3mug s MET 100 CO 0.04 -0.85 0.90 -0.40 -0.01 0.00 0.00 175.02 174.70 3mug n ASP 101 N 5.08 0.77 -4.04 3.03 5.75 -0.96 -4.88 116.55 121.31 3mug n ASP 101 Ca -0.11 0.32 -0.24 0.00 -0.01 0.00 0.00 54.79 54.74 3mug n ASP 101 Cb 0.45 0.47 -0.16 0.00 -1.03 0.00 0.00 41.12 40.85 3mug n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3mug s VAL 102 N -3.20 1.13 0.06 2.12 1.01 -1.26 -5.01 120.40 115.25 3mug s VAL 102 Ca -0.02 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3mug s VAL 102 Cb 0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3mug s VAL 102 CO 0.81 0.35 -0.14 0.26 0.00 0.00 0.00 175.10 176.37 3mug s TRP 103 N 0.42 1.20 0.60 5.22 0.52 -1.26 -0.43 118.94 125.21 3mug s TRP 103 Ca -0.10 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.62 3mug s TRP 103 Cb -0.13 -0.69 0.06 0.00 -1.15 0.00 0.00 33.47 31.55 3mug s TRP 103 CO 0.03 0.04 0.84 0.20 0.02 0.00 0.00 176.95 178.08 3mug s GLY 104 N -1.44 1.80 0.03 0.98 0.00 -0.37 -4.56 107.32 103.75 3mug s GLY 104 Ca -0.01 -1.43 0.28 0.00 0.00 0.00 0.00 44.72 43.57 3mug s GLY 104 CO 0.02 -1.06 1.83 0.28 0.00 0.00 0.00 173.10 174.16 3mug n LYS 105 N -2.49 0.04 0.00 2.90 5.02 -1.26 -4.73 118.16 117.63 3mug n LYS 105 Ca 0.10 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3mug n LYS 105 Cb 0.60 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3mug n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mug n GLY 106 N 1.47 0.57 3.08 0.72 0.00 -1.26 -5.01 105.19 104.76 3mug n GLY 106 Ca 0.07 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 3mug n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mug s THR 107 N -2.82 1.48 -0.10 2.61 -1.32 -0.60 -4.80 115.64 110.09 3mug s THR 107 Ca 0.00 -0.66 -0.17 0.00 -1.21 0.00 0.00 61.69 59.65 3mug s THR 107 Cb 0.00 -1.34 -0.05 0.00 -1.51 0.00 0.00 72.50 69.61 3mug s THR 107 CO 0.00 0.44 0.44 0.28 -2.21 0.00 0.00 174.62 173.56 3mug s THR 108 N 0.75 5.18 -0.27 5.08 -1.32 -1.26 -0.35 115.64 123.44 3mug s THR 108 Ca -0.12 0.87 -0.05 0.00 -1.21 0.00 0.00 61.69 61.18 3mug s THR 108 Cb -0.16 -3.77 0.01 0.00 -1.51 0.00 0.00 72.50 67.07 3mug s THR 108 CO 0.02 0.38 0.02 -0.69 -2.21 0.00 0.00 174.62 172.14 3mug s VAL 109 N 0.30 3.55 -0.33 5.08 1.01 0.13 -0.91 120.40 129.22 3mug s VAL 109 Ca 0.24 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 3mug s VAL 109 Cb -0.15 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.48 3mug s VAL 109 CO 0.10 0.17 0.10 -0.89 0.00 0.00 0.00 175.10 174.57 3mug s THR 110 N 1.44 3.74 -0.40 3.92 2.01 0.33 -1.88 115.64 124.81 3mug s THR 110 Ca 0.02 -1.12 -0.17 0.00 0.31 0.00 0.00 61.69 60.74 3mug s THR 110 Cb -0.17 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.25 3mug s THR 110 CO -0.00 -0.15 0.43 -0.69 -0.69 0.00 0.00 174.62 173.51 3mug s VAL 111 N 1.40 5.10 -0.18 3.82 1.01 -1.26 -0.30 120.40 129.99 3mug s VAL 111 Ca -0.02 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 3mug s VAL 111 Cb -0.19 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.26 3mug s VAL 111 CO 0.03 -0.33 0.47 -0.55 0.00 0.00 0.00 175.10 174.71 3mug s SER 112 N 1.79 -0.53 0.20 3.32 0.15 -0.11 -4.65 113.70 113.87 3mug s SER 112 Ca 0.13 0.97 0.24 0.00 0.70 0.00 0.00 55.95 57.99 3mug s SER 112 Cb -0.17 0.93 0.41 0.00 -1.71 0.00 0.00 66.02 65.49 3mug s SER 112 CO 0.13 -0.18 1.44 0.77 1.20 0.00 0.00 173.24 176.60 3mug h SER 113 N 6.01 0.00 -4.14 5.45 4.64 -1.86 -3.35 113.55 120.30 3mug h SER 113 Ca -0.30 -0.10 -0.53 0.00 -0.47 0.00 0.00 61.79 60.39 3mug h SER 113 Cb 1.18 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.41 3mug h SER 113 CO 0.23 0.05 0.44 0.00 -0.87 0.00 0.00 176.83 176.68 3mug s ALA 114 N -3.18 2.35 0.42 5.18 0.00 -1.26 -5.04 121.76 120.22 3mug s ALA 114 Ca 0.06 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.03 3mug s ALA 114 Cb 0.11 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 3mug s ALA 114 CO 0.69 -1.51 0.04 0.45 0.00 0.00 0.00 175.76 175.44 3mug s SER 115 N -1.83 3.99 -0.08 0.00 0.15 -1.26 -5.07 113.70 109.61 3mug s SER 115 Ca 0.76 -1.36 -0.36 0.00 0.70 0.00 0.00 55.95 55.69 3mug s SER 115 Cb -0.30 -0.31 -0.14 0.00 -1.71 0.00 0.00 66.02 63.57 3mug s SER 115 CO 0.39 -0.51 1.73 0.41 1.20 0.00 0.00 173.24 176.46 3mug n THR 116 N -1.05 0.34 -3.80 6.45 -1.04 -1.26 -4.67 114.28 109.25 3mug n THR 116 Ca -0.06 -0.06 -0.14 0.00 -2.04 0.00 0.00 64.05 61.75 3mug n THR 116 Cb 0.67 -1.53 -0.15 0.00 -1.82 0.00 0.00 70.33 67.49 3mug n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3mug s LYS 117 N 2.99 -0.02 0.51 -2.82 2.47 -0.14 -4.96 119.74 117.77 3mug s LYS 117 Ca 0.91 0.13 -0.16 0.00 -1.56 0.00 0.00 55.97 55.29 3mug s LYS 117 Cb -0.82 -0.19 -0.08 0.00 -1.46 0.00 0.00 37.83 35.28 3mug s LYS 117 CO 0.52 -0.12 0.98 0.20 0.16 0.00 0.00 175.35 177.09 3mug s GLY 118 N 0.78 2.05 0.71 5.54 0.00 -1.26 -1.61 107.32 113.52 3mug s GLY 118 Ca -0.07 0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.69 3mug s GLY 118 CO -0.02 0.43 1.09 2.56 0.00 0.00 0.00 173.10 177.16 3mug s PRO 119 N -4.09 2.84 -0.18 2.90 0.04 -1.26 -4.49 135.00 130.75 3mug s PRO 119 Ca 0.58 0.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.05 3mug s PRO 119 Cb -0.10 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3mug s PRO 119 CO 0.32 -1.05 0.04 -1.12 0.04 0.00 0.00 177.00 175.23 3mug s SER 120 N -4.32 5.39 -0.20 6.66 0.01 0.72 -4.94 113.70 117.02 3mug s SER 120 Ca 0.58 0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.81 3mug s SER 120 Cb -0.11 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 3mug s SER 120 CO 0.52 0.15 -0.05 -0.69 0.41 0.00 0.00 173.24 173.58 3mug s VAL 121 N 0.50 3.44 0.02 3.43 1.01 -1.26 0.14 120.40 127.69 3mug s VAL 121 Ca 0.02 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3mug s VAL 121 Cb -0.13 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3mug s VAL 121 CO 0.01 0.45 -0.25 -0.36 0.00 0.00 0.00 175.10 174.95 3mug s PHE 122 N 1.11 2.21 0.27 5.22 0.08 0.53 -4.96 117.98 122.44 3mug s PHE 122 Ca 0.01 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.37 3mug s PHE 122 Cb -0.15 -1.36 -0.09 0.00 -0.57 0.00 0.00 43.02 40.85 3mug s PHE 122 CO -0.01 0.06 0.95 -1.25 -0.10 0.00 0.00 175.22 174.87 3mug s PRO 123 N -0.98 4.77 -1.00 0.24 0.04 -1.26 -0.15 135.00 136.66 3mug s PRO 123 Ca 0.10 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.55 3mug s PRO 123 Cb -0.10 -3.13 0.25 0.00 0.04 0.00 0.00 34.50 31.56 3mug s PRO 123 CO 0.01 0.43 0.95 -0.51 0.04 0.00 0.00 177.00 177.92 3mug s LEU 124 N -1.46 5.93 0.27 -3.56 1.43 -0.23 -4.83 118.68 116.24 3mug s LEU 124 Ca 0.44 -3.68 -0.30 0.00 -1.03 0.00 0.00 54.13 49.56 3mug s LEU 124 Cb -0.24 -2.05 -0.13 0.00 0.03 0.00 0.00 46.19 43.80 3mug s LEU 124 CO 0.30 -0.23 1.36 0.00 0.23 0.00 0.00 176.35 178.01 3mug n ALA 125 N 2.49 1.15 -1.78 4.21 0.00 -1.26 -1.32 120.51 123.99 3mug n ALA 125 Ca 0.23 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.73 3mug n ALA 125 Cb 0.38 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 3mug n ALA 125 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mug s PRO 126 N -0.90 3.74 0.19 0.00 0.04 -1.26 -4.91 135.00 131.90 3mug s PRO 126 Ca 0.64 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 3mug s PRO 126 Cb -0.62 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 31.86 3mug s PRO 126 CO 0.54 -0.48 0.38 -1.13 0.04 0.00 0.00 177.00 176.35 3mug n SER 127 N -1.17 -1.11 -0.24 6.66 3.41 -1.26 -4.04 113.62 115.87 3mug n SER 127 Ca 0.09 -1.80 -0.04 0.00 -0.26 0.00 0.00 58.87 56.86 3mug n SER 127 Cb 0.53 1.86 0.07 0.00 -0.26 0.00 0.00 64.21 66.41 3mug n SER 127 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3mug h SER 128 N 0.98 0.72 -0.22 4.04 4.64 -1.96 -2.52 113.55 119.23 3mug h SER 128 Ca -0.16 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3mug h SER 128 Cb 0.61 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3mug h SER 128 CO 0.21 0.50 0.32 0.11 -0.87 0.00 0.00 176.83 177.10 3mug h LYS 129 N 0.85 0.00 -0.14 4.77 1.57 -1.98 -1.46 116.57 120.17 3mug h LYS 129 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3mug h LYS 129 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3mug h LYS 129 CO -0.10 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.65 3mug n SER 130 N -3.51 2.28 -4.58 0.86 3.41 -0.97 -4.97 113.62 106.14 3mug n SER 130 Ca 0.03 -1.66 -0.37 0.00 -0.26 0.00 0.00 58.87 56.61 3mug n SER 130 Cb 0.44 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 3mug n SER 130 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mug s THR 133 N -0.92 4.99 -0.52 6.66 2.01 -0.55 -0.66 115.64 126.64 3mug s THR 133 Ca 0.16 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.25 3mug s THR 133 Cb 0.10 -3.33 0.13 0.00 0.01 0.00 0.00 72.50 69.41 3mug s THR 133 CO 0.14 0.34 0.26 -0.55 -0.69 0.00 0.00 174.62 174.12 3mug s SER 134 N 1.27 4.35 1.67 3.53 0.15 0.76 -4.96 113.70 120.48 3mug s SER 134 Ca 0.06 -3.00 0.00 0.00 0.70 0.00 0.00 55.95 53.71 3mug s SER 134 Cb -0.14 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 3mug s SER 134 CO 0.05 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.87 3mug n GLY 135 N 3.13 2.52 0.23 9.45 0.00 -1.26 -2.72 105.19 116.53 3mug n GLY 135 Ca 0.05 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.25 3mug n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mug h GLY 136 N 0.00 0.00 -3.38 -0.02 0.00 -1.97 -3.45 103.07 94.25 3mug h GLY 136 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3mug h GLY 136 CO 0.00 0.00 -0.66 -0.51 0.00 0.00 0.00 176.54 175.37 3mug s THR 137 N -3.49 3.63 -0.00 4.70 -4.23 -1.10 -1.08 115.64 114.06 3mug s THR 137 Ca 0.02 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3mug s THR 137 Cb 0.09 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 3mug s THR 137 CO 0.63 -0.16 -0.07 0.00 -0.54 0.00 0.00 174.62 174.48 3mug s ALA 138 N -1.83 0.60 -0.12 3.99 0.00 0.31 -0.17 121.76 124.54 3mug s ALA 138 Ca 0.28 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 3mug s ALA 138 Cb -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 3mug s ALA 138 CO 0.18 0.14 0.22 0.00 0.00 0.00 0.00 175.76 176.30 3mug s ALA 139 N -0.23 3.75 0.04 0.00 0.00 0.17 -0.78 121.76 124.70 3mug s ALA 139 Ca 0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 3mug s ALA 139 Cb -0.03 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.92 3mug s ALA 139 CO -0.00 0.40 0.13 -0.48 0.00 0.00 0.00 175.76 175.81 3mug s LEU 140 N -0.48 1.63 0.00 0.00 0.05 -0.54 -4.23 118.68 115.11 3mug s LEU 140 Ca 0.16 -0.45 0.00 0.00 0.05 0.00 0.00 54.13 53.88 3mug s LEU 140 Cb -0.13 0.73 0.00 0.00 -2.05 0.00 0.00 46.19 44.74 3mug s LEU 140 CO 0.05 -0.51 0.00 0.61 -0.55 0.00 0.00 176.35 175.94 3mug n GLY 141 N 0.79 2.79 2.83 -3.48 0.00 -0.44 -0.51 105.19 107.18 3mug n GLY 141 Ca -0.19 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 3mug n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug s LEU 143 N 1.26 4.14 -0.74 0.00 2.96 0.79 -2.11 118.68 124.99 3mug s LEU 143 Ca -0.06 0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 54.04 3mug s LEU 143 Cb -0.13 -2.56 0.19 0.00 0.50 0.00 0.00 46.19 44.19 3mug s LEU 143 CO -0.02 -0.31 0.62 -0.69 -1.32 0.00 0.00 176.35 174.62 3mug s VAL 144 N 2.25 4.63 0.17 1.68 1.01 0.41 -0.35 120.40 130.21 3mug s VAL 144 Ca 0.18 -2.81 -0.06 0.00 0.00 0.00 0.00 61.98 59.30 3mug s VAL 144 Cb -0.16 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3mug s VAL 144 CO 0.11 -0.96 0.42 -0.54 0.00 0.00 0.00 175.10 174.12 3mug s LYS 145 N -0.06 3.65 -0.82 2.72 1.02 0.12 -1.31 119.74 125.07 3mug s LYS 145 Ca 0.18 -0.02 -0.01 0.00 0.02 0.00 0.00 55.97 56.15 3mug s LYS 145 Cb -0.15 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3mug s LYS 145 CO -0.06 0.42 0.61 -0.25 -0.92 0.00 0.00 175.35 175.15 3mug n ASP 146 N -0.02 -5.03 -4.52 2.83 8.00 -1.02 -0.20 116.55 116.59 3mug n ASP 146 Ca -0.02 -0.90 -0.25 0.00 0.71 0.00 0.00 54.79 54.33 3mug n ASP 146 Cb 0.52 -1.88 -0.10 0.00 -0.02 0.00 0.00 41.12 39.63 3mug n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mug s TYR 147 N -2.97 2.31 -0.28 1.24 -0.85 -0.40 -4.42 117.35 111.98 3mug s TYR 147 Ca 0.01 -0.53 -0.21 0.00 -0.52 0.00 0.00 57.07 55.81 3mug s TYR 147 Cb -0.00 -1.30 0.09 0.00 0.38 0.00 0.00 41.96 41.12 3mug s TYR 147 CO 0.89 0.53 0.77 0.12 -1.52 0.00 0.00 175.55 176.34 3mug s PHE 148 N -2.68 -0.83 0.14 -3.49 5.36 -0.63 -0.39 117.98 115.46 3mug s PHE 148 Ca 0.32 1.84 -0.02 0.00 -0.96 0.00 0.00 56.93 58.11 3mug s PHE 148 Cb 0.02 0.41 0.03 0.00 -0.34 0.00 0.00 43.02 43.14 3mug s PHE 148 CO 0.15 -0.40 0.19 -0.35 -1.46 0.00 0.00 175.22 173.35 3mug n PRO 149 N 3.23 -0.04 -0.26 10.12 -0.04 -1.26 -0.97 135.00 145.78 3mug n PRO 149 Ca -0.16 -0.33 0.07 0.00 -0.04 0.00 0.00 63.50 63.04 3mug n PRO 149 Cb 0.57 -0.18 0.20 0.00 -0.04 0.00 0.00 33.50 34.04 3mug n PRO 149 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3mug h GLU 150 N 0.00 0.18 -6.14 0.54 4.22 -2.00 -3.43 114.58 107.94 3mug h GLU 150 Ca -0.06 -0.01 -0.52 0.00 0.08 0.00 0.00 59.36 58.84 3mug h GLU 150 Cb 0.18 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3mug h GLU 150 CO 0.05 0.12 1.26 -1.25 -2.18 0.00 0.00 179.01 177.01 3mug s PRO 151 N -6.05 2.92 -0.08 0.92 0.04 -1.26 -4.96 135.00 126.53 3mug s PRO 151 Ca -0.13 0.61 0.03 0.00 0.04 0.00 0.00 61.00 61.55 3mug s PRO 151 Cb 0.23 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.47 3mug s PRO 151 CO 0.76 -2.39 -0.18 0.08 0.04 0.00 0.00 177.00 175.30 3mug s VAL 152 N 7.84 2.64 -0.08 -0.36 1.01 -1.26 -4.20 120.40 125.99 3mug s VAL 152 Ca 0.63 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3mug s VAL 152 Cb -0.13 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3mug s VAL 152 CO 0.23 0.56 -0.22 0.28 0.00 0.00 0.00 175.10 175.95 3mug s THR 153 N -0.12 2.32 -0.08 3.92 -1.32 0.13 -4.98 115.64 115.51 3mug s THR 153 Ca -0.03 -0.96 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 3mug s THR 153 Cb -0.14 -1.88 0.01 0.00 -1.51 0.00 0.00 72.50 68.98 3mug s THR 153 CO 0.04 0.56 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.17 3mug s VAL 154 N -0.02 1.37 0.27 5.08 1.01 -1.26 0.05 120.40 126.90 3mug s VAL 154 Ca -0.07 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3mug s VAL 154 Cb -0.15 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 3mug s VAL 154 CO 0.05 0.41 -0.06 -0.94 0.00 0.00 0.00 175.10 174.56 3mug s SER 155 N 0.65 2.66 -0.06 3.32 1.04 -0.08 -4.97 113.70 116.27 3mug s SER 155 Ca -0.14 -1.18 0.03 0.00 0.48 0.00 0.00 55.95 55.13 3mug s SER 155 Cb -0.16 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.82 3mug s SER 155 CO 0.04 -0.35 -0.13 0.26 0.98 0.00 0.00 173.24 174.04 3mug s TRP 157 N -3.05 1.46 -1.54 5.02 0.52 -1.26 -0.21 118.94 119.88 3mug s TRP 157 Ca 0.29 -0.49 -0.13 0.00 0.02 0.00 0.00 56.10 55.78 3mug s TRP 157 Cb 0.04 -1.04 0.09 0.00 -1.15 0.00 0.00 33.47 31.40 3mug s TRP 157 CO 0.11 -0.23 0.95 0.09 0.02 0.00 0.00 176.95 177.89 3mug n ASN 158 N 3.59 -4.46 -1.23 2.95 4.13 0.08 -1.68 115.26 118.65 3mug n ASN 158 Ca -0.21 -0.80 -0.15 0.00 1.68 0.00 0.00 54.58 55.09 3mug n ASN 158 Cb 0.52 -3.78 -0.05 0.00 -1.54 0.00 0.00 39.78 34.93 3mug n ASN 158 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3mug n SER 163 N -2.83 -4.75 0.00 6.41 7.64 -1.26 -2.50 113.62 116.33 3mug n SER 163 Ca 0.02 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.21 3mug n SER 163 Cb 0.53 -3.61 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 3mug n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mug n GLY 164 N -1.13 1.30 0.29 0.23 0.00 -0.68 -4.96 105.19 100.24 3mug n GLY 164 Ca -0.15 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.03 3mug n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug h ALA 165 N 0.00 1.27 -3.05 4.61 0.00 -1.47 -3.39 119.26 117.24 3mug h ALA 165 Ca 0.00 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 54.21 3mug h ALA 165 Cb 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.48 3mug h ALA 165 CO 0.00 0.05 -0.78 -0.51 0.00 0.00 0.00 179.25 178.02 3mug s LEU 166 N -7.05 2.60 0.00 0.00 1.43 -0.97 -4.91 118.68 109.78 3mug s LEU 166 Ca -0.04 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3mug s LEU 166 Cb 0.13 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.72 3mug s LEU 166 CO 0.53 0.00 0.00 0.35 0.23 0.00 0.00 176.35 177.46 3mug n THR 167 N 4.62 0.00 -2.58 5.49 -2.24 -1.26 -4.03 114.28 114.28 3mug n THR 167 Ca -0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 3mug n THR 167 Cb 0.51 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 3mug n THR 167 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mug s SER 168 N -1.24 6.80 0.00 3.42 1.04 -1.26 -3.22 113.70 119.23 3mug s SER 168 Ca 0.00 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.36 3mug s SER 168 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3mug s SER 168 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3mug n GLY 169 N 4.22 0.57 3.71 7.32 0.00 -1.26 -4.68 105.19 115.07 3mug n GLY 169 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3mug n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mug s VAL 170 N -2.31 4.83 -0.04 1.61 1.01 -1.20 -3.14 120.40 121.16 3mug s VAL 170 Ca 0.00 2.04 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 3mug s VAL 170 Cb 0.00 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.10 3mug s VAL 170 CO 0.00 0.14 0.03 -2.28 0.00 0.00 0.00 175.10 172.99 3mug s HIS 172 N 1.16 0.21 -0.28 5.22 2.46 0.13 -5.01 115.29 119.18 3mug s HIS 172 Ca 0.52 0.12 -0.07 0.00 0.47 0.00 0.00 55.06 56.10 3mug s HIS 172 Cb -0.21 -0.50 0.00 0.00 -0.13 0.00 0.00 32.58 31.75 3mug s HIS 172 CO 0.27 -0.19 0.07 0.99 -2.47 0.00 0.00 174.74 173.40 3mug s THR 173 N 1.78 3.97 0.53 0.89 2.01 -1.26 -0.43 115.64 123.13 3mug s THR 173 Ca 0.01 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 3mug s THR 173 Cb -0.12 -3.01 -0.07 0.00 0.01 0.00 0.00 72.50 69.31 3mug s THR 173 CO -0.03 0.13 1.01 -0.36 -0.69 0.00 0.00 174.62 174.68 3mug s PHE 174 N 1.51 3.22 0.63 4.92 0.40 -0.08 -5.00 117.98 123.57 3mug s PHE 174 Ca 0.03 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.70 3mug s PHE 174 Cb -0.17 -2.91 -0.02 0.00 0.51 0.00 0.00 43.02 40.44 3mug s PHE 174 CO 0.02 -0.67 1.20 -1.25 0.70 0.00 0.00 175.22 175.23 3mug s PRO 175 N -3.88 2.78 0.56 0.24 0.04 -1.26 -4.43 135.00 129.05 3mug s PRO 175 Ca 0.62 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 63.27 3mug s PRO 175 Cb -0.13 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3mug s PRO 175 CO 0.30 -1.35 1.07 0.00 0.04 0.00 0.00 177.00 177.06 3mug s ALA 176 N -1.72 2.74 -0.07 8.56 0.00 -1.26 -4.77 121.76 125.23 3mug s ALA 176 Ca 0.76 0.55 0.02 0.00 0.00 0.00 0.00 51.96 53.30 3mug s ALA 176 Cb -0.30 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3mug s ALA 176 CO 0.36 -0.71 -0.13 0.54 0.00 0.00 0.00 175.76 175.83 3mug s VAL 177 N -2.17 3.17 -0.25 0.00 0.11 0.03 -4.94 120.40 116.34 3mug s VAL 177 Ca 0.67 -0.66 -0.14 0.00 -2.93 0.00 0.00 61.98 58.92 3mug s VAL 177 Cb -0.18 -2.28 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 3mug s VAL 177 CO 0.30 0.57 0.31 -0.22 -3.33 0.00 0.00 175.10 172.74 3mug s LEU 178 N -0.44 4.07 0.29 2.54 2.96 -1.26 -2.08 118.68 124.76 3mug s LEU 178 Ca 0.06 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 3mug s LEU 178 Cb -0.12 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3mug s LEU 178 CO 0.02 -0.10 0.49 -1.10 -1.32 0.00 0.00 176.35 174.34 3mug s GLN 179 N 1.72 3.50 0.57 1.98 -0.21 -0.64 -4.97 119.66 121.63 3mug s GLN 179 Ca 0.13 -0.35 0.38 0.00 0.02 0.00 0.00 55.36 55.55 3mug s GLN 179 Cb -0.15 -2.73 1.43 0.00 1.00 0.00 0.00 33.01 32.56 3mug s GLN 179 CO 0.09 0.25 1.57 0.77 -2.12 0.00 0.00 175.29 175.84 3mug h SER 180 N 1.19 0.00 0.12 5.90 0.02 -1.98 0.43 113.55 119.22 3mug h SER 180 Ca -0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 3mug h SER 180 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3mug h SER 180 CO 0.63 0.00 -0.06 0.77 -1.14 0.00 0.00 176.83 177.04 3mug h SER 181 N 0.00 -0.14 0.00 3.07 4.64 -2.02 -3.48 113.55 115.63 3mug h SER 181 Ca 0.66 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3mug h SER 181 Cb 2.97 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 65.09 3mug h SER 181 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3mug n GLY 183 N -0.87 1.26 3.84 -0.77 0.00 0.15 -4.79 105.19 104.01 3mug n GLY 183 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 3mug n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mug s LEU 184 N 0.00 3.75 0.01 0.99 1.43 -1.26 -4.60 118.68 119.01 3mug s LEU 184 Ca 0.00 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3mug s LEU 184 Cb 0.00 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 3mug s LEU 184 CO 0.00 -0.16 0.12 -0.31 0.23 0.00 0.00 176.35 176.24 3mug s TYR 185 N -2.19 3.37 0.04 0.29 1.51 0.48 -1.62 117.35 119.22 3mug s TYR 185 Ca 0.36 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.68 3mug s TYR 185 Cb -0.07 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 3mug s TYR 185 CO 0.26 0.58 -0.09 -1.12 -1.11 0.00 0.00 175.55 174.07 3mug s SER 186 N -1.98 1.02 0.13 2.29 0.01 -0.88 -1.27 113.70 113.01 3mug s SER 186 Ca 0.26 -0.46 -0.12 0.00 1.31 0.00 0.00 55.95 56.95 3mug s SER 186 Cb -0.12 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.11 3mug s SER 186 CO 0.18 -0.10 0.33 -0.22 0.41 0.00 0.00 173.24 173.83 3mug s LEU 187 N -1.25 0.79 0.04 2.44 0.20 -0.43 -0.79 118.68 119.69 3mug s LEU 187 Ca -0.05 -0.57 0.03 0.00 0.69 0.00 0.00 54.13 54.23 3mug s LEU 187 Cb -0.08 1.49 -0.02 0.00 -0.43 0.00 0.00 46.19 47.14 3mug s LEU 187 CO 0.01 -0.85 -0.10 -0.44 -0.29 0.00 0.00 176.35 174.67 3mug s SER 188 N -2.87 1.18 -0.06 3.68 0.01 -1.26 -0.44 113.70 113.94 3mug s SER 188 Ca 0.08 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.84 3mug s SER 188 Cb 0.03 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.26 3mug s SER 188 CO -0.08 -0.10 -0.06 -0.55 0.41 0.00 0.00 173.24 172.86 3mug s SER 189 N -1.41 1.32 0.19 2.44 0.15 -0.89 -0.91 113.70 114.59 3mug s SER 189 Ca -0.05 -0.18 0.11 0.00 0.70 0.00 0.00 55.95 56.53 3mug s SER 189 Cb -0.09 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 63.61 3mug s SER 189 CO 0.01 -0.06 -0.23 0.68 1.20 0.00 0.00 173.24 174.84 3mug s VAL 190 N 1.06 2.25 0.01 4.45 -7.23 0.43 -1.15 120.40 120.22 3mug s VAL 190 Ca -0.08 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 3mug s VAL 190 Cb -0.14 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 3mug s VAL 190 CO -0.01 -0.15 -0.03 0.54 -0.31 0.00 0.00 175.10 175.15 3mug s VAL 191 N -1.73 0.16 -0.24 1.32 0.11 0.34 -0.70 120.40 119.67 3mug s VAL 191 Ca 0.20 -0.41 -0.08 0.00 -2.93 0.00 0.00 61.98 58.76 3mug s VAL 191 Cb -0.08 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 3mug s VAL 191 CO 0.09 -0.16 0.09 0.42 -3.33 0.00 0.00 175.10 172.22 3mug s THR 192 N -0.57 4.61 0.24 5.04 -4.23 -1.19 -1.47 115.64 118.08 3mug s THR 192 Ca -0.05 -0.07 0.07 0.00 -1.18 0.00 0.00 61.69 60.46 3mug s THR 192 Cb -0.04 -3.15 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 3mug s THR 192 CO -0.00 0.35 -0.10 0.68 -0.54 0.00 0.00 174.62 175.01 3mug s VAL 193 N 1.35 1.70 0.23 2.29 -7.23 0.04 -4.72 120.40 114.06 3mug s VAL 193 Ca 0.06 -2.17 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 3mug s VAL 193 Cb -0.15 -2.25 -0.09 0.00 0.56 0.00 0.00 36.38 34.45 3mug s VAL 193 CO 0.04 -0.44 1.21 -2.16 -0.31 0.00 0.00 175.10 173.44 3mug s PRO 194 N -3.69 4.49 0.55 4.82 0.04 -1.26 -0.53 135.00 139.42 3mug s PRO 194 Ca 0.26 1.94 0.23 0.00 0.04 0.00 0.00 61.00 63.48 3mug s PRO 194 Cb 0.01 -3.19 1.49 0.00 0.04 0.00 0.00 34.50 32.86 3mug s PRO 194 CO 0.10 -0.06 2.13 0.77 0.04 0.00 0.00 177.00 179.98 3mug h SER 195 N 4.61 0.00 -0.51 6.66 0.02 -1.39 -2.16 113.55 120.78 3mug h SER 195 Ca -0.46 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 3mug h SER 195 Cb 1.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3mug h SER 195 CO 0.72 0.00 0.12 0.28 -1.14 0.00 0.00 176.83 176.81 3mug h SER 196 N 0.00 0.82 0.62 3.07 0.02 -1.91 -3.09 113.55 113.08 3mug h SER 196 Ca 0.07 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 3mug h SER 196 Cb 0.31 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3mug h SER 196 CO -0.00 0.81 -0.35 0.77 -1.14 0.00 0.00 176.83 176.92 3mug h SER 197 N 0.84 0.00 -2.29 3.07 4.64 -1.78 -3.42 113.55 114.61 3mug h SER 197 Ca 0.18 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.95 3mug h SER 197 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3mug h SER 197 CO 0.00 0.35 1.29 -0.76 -0.87 0.00 0.00 176.83 176.84 3mug s LEU 198 N -7.43 4.17 0.00 5.97 1.02 -1.17 0.36 118.68 121.59 3mug s LEU 198 Ca -0.01 2.44 0.00 0.00 0.02 0.00 0.00 54.13 56.58 3mug s LEU 198 Cb 0.12 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.81 3mug s LEU 198 CO 0.68 -1.29 0.00 0.61 0.02 0.00 0.00 176.35 176.38 3mug n GLY 199 N 4.84 1.97 0.73 -3.19 0.00 -1.26 -4.86 105.19 103.42 3mug n GLY 199 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 3mug n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mug n THR 200 N -0.26 1.14 -2.62 2.61 -2.24 0.28 -5.05 114.28 108.15 3mug n THR 200 Ca 0.00 0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.60 3mug n THR 200 Cb 0.00 -1.79 -0.05 0.00 -2.10 0.00 0.00 70.33 66.39 3mug n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mug s GLN 201 N -2.27 4.73 -0.13 -0.78 -0.44 0.16 -5.06 119.66 115.87 3mug s GLN 201 Ca -0.10 1.63 -0.13 0.00 -2.50 0.00 0.00 55.36 54.26 3mug s GLN 201 Cb 0.02 -3.25 -0.05 0.00 -1.64 0.00 0.00 33.01 28.09 3mug s GLN 201 CO 0.14 0.33 0.28 0.95 0.50 0.00 0.00 175.29 177.49 3mug s THR 205 N -0.96 5.29 -0.14 -0.34 -4.23 -1.26 -4.72 115.64 109.28 3mug s THR 205 Ca 0.44 0.53 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3mug s THR 205 Cb -0.28 -3.60 -0.00 0.00 1.34 0.00 0.00 72.50 69.95 3mug s THR 205 CO 0.36 0.46 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.42 3mug s TYR 206 N -0.01 2.75 -0.06 3.99 2.02 -1.26 -4.98 117.35 119.79 3mug s TYR 206 Ca 0.17 -0.97 0.01 0.00 -0.37 0.00 0.00 57.07 55.92 3mug s TYR 206 Cb -0.13 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 3mug s TYR 206 CO 0.05 -0.41 -0.09 0.42 -1.57 0.00 0.00 175.55 173.95 3mug s ILE 207 N 0.64 0.89 -0.08 2.71 1.01 -1.26 -0.60 121.20 124.50 3mug s ILE 207 Ca -0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 3mug s ILE 207 Cb -0.16 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 3mug s ILE 207 CO 0.02 0.31 0.31 0.00 0.00 0.00 0.00 174.94 175.58 3mug s ASN 209 N -0.52 5.40 -0.14 0.00 -0.87 0.70 -1.53 114.94 117.98 3mug s ASN 209 Ca 0.19 -1.71 -0.14 0.00 -1.57 0.00 0.00 52.86 49.64 3mug s ASN 209 Cb -0.14 -1.89 -0.05 0.00 -0.02 0.00 0.00 41.25 39.15 3mug s ASN 209 CO 0.08 -0.52 0.31 -0.69 -2.57 0.00 0.00 177.10 173.71 3mug s VAL 210 N 1.29 5.28 -0.11 1.60 1.01 0.52 -0.91 120.40 129.08 3mug s VAL 210 Ca 0.04 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3mug s VAL 210 Cb -0.23 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3mug s VAL 210 CO -0.01 0.42 -0.10 0.21 0.00 0.00 0.00 175.10 175.62 3mug s ASN 211 N 0.23 2.23 -0.70 3.32 3.84 0.11 -0.85 114.94 123.13 3mug s ASN 211 Ca 0.18 -0.35 0.05 0.00 0.21 0.00 0.00 52.86 52.95 3mug s ASN 211 Cb -0.13 -0.92 0.17 0.00 -0.55 0.00 0.00 41.25 39.81 3mug s ASN 211 CO 0.05 -0.07 0.48 -2.28 -2.79 0.00 0.00 177.10 172.49 3mug s HIS 212 N 1.44 3.56 0.33 0.43 5.65 0.01 -0.69 115.29 126.02 3mug s HIS 212 Ca 0.01 -3.34 0.10 0.00 0.25 0.00 0.00 55.06 52.08 3mug s HIS 212 Cb -0.13 -2.72 0.88 0.00 -1.18 0.00 0.00 32.58 29.43 3mug s HIS 212 CO -0.06 -0.55 1.75 1.57 -0.65 0.00 0.00 174.74 176.79 3mug h LYS 213 N 5.45 0.59 -0.12 2.88 -0.00 -1.79 -1.89 116.57 121.70 3mug h LYS 213 Ca 0.13 -0.04 0.03 0.00 -0.00 0.00 0.00 60.65 60.78 3mug h LYS 213 Cb 0.76 -0.13 -0.00 0.00 -0.00 0.00 0.00 32.23 32.85 3mug h LYS 213 CO 0.72 0.39 0.10 -1.35 -0.00 0.00 0.00 179.45 179.30 3mug h PRO 214 N 0.61 0.00 -0.01 0.07 0.11 -1.94 -2.27 132.00 128.56 3mug h PRO 214 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 3mug h PRO 214 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mug h PRO 214 CO -0.43 0.00 -0.06 -1.13 -0.21 0.00 0.00 178.00 176.17 3mug n SER 215 N -4.25 1.93 -3.06 -2.05 3.41 -0.93 -4.98 113.62 103.69 3mug n SER 215 Ca -0.00 -1.47 -0.23 0.00 -0.26 0.00 0.00 58.87 56.92 3mug n SER 215 Cb 0.21 0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.30 3mug n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mug n ASN 216 N 0.53 -6.00 -4.69 4.04 3.02 -0.76 -4.96 115.26 106.45 3mug n ASN 216 Ca 0.07 -0.30 -0.35 0.00 -0.03 0.00 0.00 54.58 53.97 3mug n ASN 216 Cb 0.31 -4.85 -0.09 0.00 -0.61 0.00 0.00 39.78 34.55 3mug n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mug s THR 217 N -3.17 5.06 -0.09 3.41 2.01 -1.03 -5.00 115.64 116.83 3mug s THR 217 Ca 0.32 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.40 3mug s THR 217 Cb -0.14 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.10 3mug s THR 217 CO 0.39 0.47 -0.15 -0.54 -0.69 0.00 0.00 174.62 174.11 3mug s LYS 218 N 0.20 2.11 -0.13 4.92 1.02 -1.26 -0.81 119.74 125.80 3mug s LYS 218 Ca 0.06 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.53 3mug s LYS 218 Cb -0.12 -1.76 0.02 0.00 -0.52 0.00 0.00 37.83 35.44 3mug s LYS 218 CO -0.00 -0.02 -0.16 0.08 -0.92 0.00 0.00 175.35 174.33 3mug s VAL 219 N 0.85 1.59 -0.35 3.17 1.01 -0.03 -5.00 120.40 121.65 3mug s VAL 219 Ca -0.10 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 3mug s VAL 219 Cb -0.15 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 34.84 3mug s VAL 219 CO 0.01 0.46 0.09 -1.81 0.00 0.00 0.00 175.10 173.85 3mug s ASP 220 N 1.13 5.10 -0.17 3.32 1.01 -1.26 -0.36 116.67 125.45 3mug s ASP 220 Ca -0.03 -1.53 -0.02 0.00 0.71 0.00 0.00 52.55 51.68 3mug s ASP 220 Cb -0.14 -1.78 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 3mug s ASP 220 CO -0.05 -0.38 -0.10 -0.75 0.21 0.00 0.00 175.17 174.11 3mug s LYS 221 N 1.24 3.37 -0.18 8.23 2.47 -0.58 -4.94 119.74 129.33 3mug s LYS 221 Ca 0.00 -0.66 -0.26 0.00 -1.56 0.00 0.00 55.97 53.49 3mug s LYS 221 Cb -0.21 -2.78 -0.01 0.00 -1.46 0.00 0.00 37.83 33.37 3mug s LYS 221 CO -0.02 0.03 0.88 0.50 0.16 0.00 0.00 175.35 176.90 3mug s ARG 222 N 0.84 4.29 -0.38 4.03 3.00 -1.26 -0.98 118.95 128.48 3mug s ARG 222 Ca -0.03 1.09 -0.14 0.00 -1.00 0.00 0.00 55.73 55.65 3mug s ARG 222 Cb -0.15 -3.59 0.01 0.00 0.00 0.00 0.00 34.95 31.22 3mug s ARG 222 CO 0.01 -0.40 0.26 0.08 0.00 0.00 0.00 175.30 175.25 3mug s VAL 225 N 2.39 5.15 0.12 7.11 1.01 0.23 -4.95 120.40 131.46 3mug s VAL 225 Ca 0.39 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.93 3mug s VAL 225 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3mug s VAL 225 CO 0.11 -0.19 -0.21 -1.61 0.00 0.00 0.00 175.10 173.21 3mug s GLU 226 N 1.68 1.18 0.47 2.72 8.01 -1.26 -4.27 118.70 127.23 3mug s GLU 226 Ca 0.05 -1.24 -0.24 0.00 0.01 0.00 0.00 54.97 53.55 3mug s GLU 226 Cb -0.18 -1.41 -0.07 0.00 -4.31 0.00 0.00 34.13 28.15 3mug s GLU 226 CO 0.10 0.32 1.30 -2.14 0.01 0.00 0.00 175.26 174.85 3mug s PRO 227 N -2.14 3.63 0.57 0.39 0.02 -1.26 -4.56 135.00 131.64 3mug s PRO 227 Ca 0.09 2.12 0.03 0.00 0.02 0.00 0.00 61.00 63.27 3mug s PRO 227 Cb -0.09 -2.51 0.11 0.00 0.02 0.00 0.00 34.50 32.03 3mug s PRO 227 CO 0.05 -0.76 0.78 1.63 -0.33 0.00 0.00 177.00 178.37 3mug n LYS 228 N -0.41 0.26 0.00 5.54 4.76 -1.26 -5.01 118.16 122.05 3mug n LYS 228 Ca 0.07 -2.43 0.03 0.00 -2.87 0.00 0.00 58.31 53.11 3mug n LYS 228 Cb 0.45 -0.42 0.03 0.00 -1.84 0.00 0.00 35.03 33.24 3mug n LYS 228 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48