#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 -0.06 3.49 -0.21 0.51 -4.98 119.66 119.21 3mug s GLN 3 Ca 0.00 -1.02 -0.02 0.00 0.02 0.00 0.00 55.36 54.34 3mug s GLN 3 Cb 0.00 -0.63 0.03 0.00 1.00 0.00 0.00 33.01 33.41 3mug s GLN 3 CO 0.00 0.12 0.03 -0.51 -2.12 0.00 0.00 175.29 172.81 3mug s LEU 4 N -2.04 0.41 -0.25 2.90 1.43 -1.26 -1.62 118.68 118.25 3mug s LEU 4 Ca 0.00 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3mug s LEU 4 Cb -0.07 -0.32 0.05 0.00 0.03 0.00 0.00 46.19 45.88 3mug s LEU 4 CO 0.01 -0.22 -0.11 -0.69 0.23 0.00 0.00 176.35 175.57 3mug s VAL 5 N 2.05 2.28 0.30 -1.59 1.01 -0.26 -4.15 120.40 120.04 3mug s VAL 5 Ca 0.05 -1.45 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 3mug s VAL 5 Cb -0.12 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 3mug s VAL 5 CO -0.04 0.08 0.79 -1.61 0.00 0.00 0.00 175.10 174.32 3mug s GLU 6 N 1.16 4.23 0.23 2.72 8.01 -1.26 -1.54 118.70 132.25 3mug s GLU 6 Ca -0.06 0.92 -0.11 0.00 0.01 0.00 0.00 54.97 55.73 3mug s GLU 6 Cb -0.19 -2.64 -0.01 0.00 -4.31 0.00 0.00 34.13 26.99 3mug s GLU 6 CO -0.06 0.25 0.41 -1.54 0.01 0.00 0.00 175.26 174.33 3mug s SER 7 N -1.90 -0.05 0.00 -0.19 1.04 -0.62 -4.78 113.70 107.20 3mug s SER 7 Ca 0.50 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3mug s SER 7 Cb -0.14 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.52 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 -0.34 1.99 3.60 7.32 0.00 -1.26 -1.62 105.19 114.87 3mug n GLY 8 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3mug n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mug n GLY 9 N -0.22 -0.58 0.00 -0.02 0.00 -1.26 -4.86 105.19 98.24 3mug n GLY 9 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3mug n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mug n GLY 10 N 0.97 -1.09 3.66 -0.02 0.00 -0.21 -4.91 105.19 103.59 3mug n GLY 10 Ca 0.12 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 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 5.08 -0.00 1.61 1.01 -1.26 -0.68 120.40 123.16 3mug s VAL 11 Ca 0.00 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.02 3mug s VAL 11 Cb 0.00 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3mug s VAL 11 CO 0.00 0.16 -0.08 0.68 0.00 0.00 0.00 175.10 175.86 3mug s VAL 12 N 1.72 0.59 0.29 2.92 -7.23 0.99 -4.96 120.40 114.73 3mug s VAL 12 Ca 0.25 -0.37 -0.21 0.00 -1.81 0.00 0.00 61.98 59.84 3mug s VAL 12 Cb -0.16 -0.51 -0.09 0.00 0.56 0.00 0.00 36.38 36.18 3mug s VAL 12 CO 0.10 0.13 0.81 -1.10 -0.31 0.00 0.00 175.10 174.74 3mug s GLN 13 N -0.27 4.31 0.53 4.82 -0.21 -1.24 -0.13 119.66 127.46 3mug s GLN 13 Ca 0.02 1.00 -0.22 0.00 0.02 0.00 0.00 55.36 56.18 3mug s GLN 13 Cb -0.03 -2.71 -0.05 0.00 1.00 0.00 0.00 33.01 31.21 3mug s GLN 13 CO -0.00 0.28 1.28 -1.25 -2.12 0.00 0.00 175.29 173.48 3mug s PRO 14 N -2.29 3.29 0.00 2.91 0.04 -1.26 -2.74 135.00 134.95 3mug s PRO 14 Ca 0.49 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3mug s PRO 14 Cb -0.15 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3mug s PRO 14 CO 0.20 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.64 3mug n GLY 15 N 0.62 1.01 3.97 0.56 0.00 0.22 -4.87 105.19 106.70 3mug n GLY 15 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.73 1.74 0.18 -0.02 0.00 -1.11 -4.11 107.32 102.27 3mug s GLY 16 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.51 3mug s GLY 16 CO 0.00 -0.98 0.32 -0.56 0.00 0.00 0.00 173.10 171.88 3mug s SER 17 N -4.36 6.34 -0.26 1.64 0.01 -1.26 -0.41 113.70 115.40 3mug s SER 17 Ca 0.54 0.20 -0.17 0.00 1.31 0.00 0.00 55.95 57.83 3mug s SER 17 Cb -0.10 -1.92 0.07 0.00 0.21 0.00 0.00 66.02 64.28 3mug s SER 17 CO 0.38 0.01 0.65 -0.22 0.41 0.00 0.00 173.24 174.47 3mug s LEU 18 N -3.40 -0.73 -0.21 2.44 2.96 -0.78 -4.97 118.68 113.98 3mug s LEU 18 Ca 0.35 1.39 -0.05 0.00 -0.22 0.00 0.00 54.13 55.61 3mug s LEU 18 Cb -0.11 2.24 -0.02 0.00 0.50 0.00 0.00 46.19 48.80 3mug s LEU 18 CO 0.29 -0.23 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.47 3mug s ARG 19 N 1.23 3.52 0.10 1.98 3.52 -1.26 0.49 118.95 128.52 3mug s ARG 19 Ca -0.07 -0.56 -0.02 0.00 -0.13 0.00 0.00 55.73 54.95 3mug s ARG 19 Cb -0.05 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.22 3mug s ARG 19 CO -0.13 -0.09 0.29 -0.51 -0.81 0.00 0.00 175.30 174.05 3mug s LEU 20 N 1.25 4.31 0.18 -0.88 1.43 0.17 -4.65 118.68 120.50 3mug s LEU 20 Ca 0.03 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 3mug s LEU 20 Cb -0.15 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 3mug s LEU 20 CO 0.00 0.11 -0.11 -0.44 0.23 0.00 0.00 176.35 176.14 3mug s SER 21 N -2.50 2.14 -0.22 2.29 0.01 -0.64 -2.20 113.70 112.58 3mug s SER 21 Ca 0.38 -1.04 -0.04 0.00 1.31 0.00 0.00 55.95 56.56 3mug s SER 21 Cb -0.13 -0.06 0.11 0.00 0.21 0.00 0.00 66.02 66.15 3mug s SER 21 CO 0.26 -0.28 0.39 0.00 0.41 0.00 0.00 173.24 174.02 3mug s LEU 23 N 2.56 4.13 0.07 0.00 2.96 -0.59 -0.72 118.68 127.10 3mug s LEU 23 Ca 0.07 0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 54.42 3mug s LEU 23 Cb -0.14 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 3mug s LEU 23 CO -0.14 -0.10 0.28 0.00 -1.32 0.00 0.00 176.35 175.07 3mug s ALA 24 N 1.46 3.89 0.07 5.97 0.00 0.12 -1.10 121.76 132.17 3mug s ALA 24 Ca 0.18 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 3mug s ALA 24 Cb -0.15 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.01 3mug s ALA 24 CO 0.08 0.73 0.38 -1.54 0.00 0.00 0.00 175.76 175.41 3mug s SER 25 N -2.26 -0.23 0.00 0.00 1.04 -0.64 -4.88 113.70 106.74 3mug s SER 25 Ca 0.35 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3mug s SER 25 Cb -0.13 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3mug s SER 25 CO 0.23 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3mug n GLY 26 N 0.27 0.62 3.49 7.32 0.00 -1.26 -0.36 105.19 115.27 3mug n GLY 26 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.20 -0.36 -0.92 1.61 -0.71 -1.26 -4.21 117.98 109.93 3mug s PHE 27 Ca 0.00 0.07 -0.24 0.00 -1.04 0.00 0.00 56.93 55.72 3mug s PHE 27 Cb 0.00 0.51 0.03 0.00 -1.21 0.00 0.00 43.02 42.35 3mug s PHE 27 CO 0.00 -0.90 1.49 0.99 -1.34 0.00 0.00 175.22 175.46 3mug s THR 28 N -3.81 3.78 0.22 -4.49 2.01 -1.26 -4.90 115.64 107.20 3mug s THR 28 Ca 0.04 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 3mug s THR 28 Cb -0.01 -4.83 0.23 0.00 0.01 0.00 0.00 72.50 67.90 3mug s THR 28 CO -0.08 -1.74 1.64 0.15 -0.69 0.00 0.00 174.62 173.90 3mug h PHE 29 N 10.31 -0.15 0.00 4.92 3.57 -1.95 -2.69 116.94 130.96 3mug h PHE 29 Ca 0.05 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3mug h PHE 29 Cb 1.03 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3mug h PHE 29 CO 1.22 -0.22 0.00 -2.39 -2.23 0.00 0.00 178.31 174.69 3mug n HIS 30 N -5.35 0.62 0.72 0.41 1.44 -1.26 -2.49 115.22 109.30 3mug n HIS 30 Ca 0.10 0.26 0.13 0.00 -2.01 0.00 0.00 57.72 56.20 3mug n HIS 30 Cb 0.38 -0.93 0.31 0.00 0.12 0.00 0.00 29.99 29.87 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 -2.08 0.20 -4.52 -1.40 5.02 -1.01 -4.35 118.16 110.01 3mug n LYS 31 Ca 0.01 0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 3mug n LYS 31 Cb 0.16 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 33.39 3mug n LYS 31 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3mug s TYR 32 N -3.10 2.58 0.54 2.13 2.02 -1.04 -4.81 117.35 115.67 3mug s TYR 32 Ca 0.09 -0.24 -0.18 0.00 -0.37 0.00 0.00 57.07 56.37 3mug s TYR 32 Cb 0.15 -1.44 -0.06 0.00 -0.40 0.00 0.00 41.96 40.21 3mug s TYR 32 CO 0.66 0.31 1.05 0.20 -1.57 0.00 0.00 175.55 176.20 3mug s GLY 33 N -1.69 2.35 0.02 0.71 0.00 -1.26 -3.90 107.32 103.55 3mug s GLY 33 Ca 0.16 0.53 0.02 0.00 0.00 0.00 0.00 44.72 45.43 3mug s GLY 33 CO 0.07 0.85 -0.08 1.06 0.00 0.00 0.00 173.10 175.00 3mug s MET 34 N -3.61 0.56 0.30 2.90 1.00 -0.61 -0.90 119.30 118.93 3mug s MET 34 Ca 0.66 -0.51 0.10 0.00 0.00 0.00 0.00 55.69 55.94 3mug s MET 34 Cb -0.17 -0.46 -0.06 0.00 0.00 0.00 0.00 34.83 34.15 3mug s MET 34 CO 0.28 0.11 -0.13 -1.01 0.00 0.00 0.00 175.02 174.27 3mug s HIS 35 N -0.74 2.25 -0.07 -0.03 3.76 0.04 -1.32 115.29 119.19 3mug s HIS 35 Ca -0.03 -0.47 0.05 0.00 -0.15 0.00 0.00 55.06 54.46 3mug s HIS 35 Cb -0.06 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.46 3mug s HIS 35 CO 0.00 0.58 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.65 3mug s TRP 36 N -2.65 2.41 -0.04 1.40 0.52 -0.69 -1.89 118.94 117.99 3mug s TRP 36 Ca 0.30 -0.81 0.02 0.00 0.02 0.00 0.00 56.10 55.63 3mug s TRP 36 Cb -0.00 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 30.73 3mug s TRP 36 CO 0.15 -0.28 -0.09 0.08 0.02 0.00 0.00 176.95 176.82 3mug s VAL 37 N 0.03 0.86 0.25 4.03 1.01 0.03 -1.53 120.40 125.08 3mug s VAL 37 Ca -0.09 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3mug s VAL 37 Cb -0.15 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3mug s VAL 37 CO 0.05 0.28 0.12 0.00 0.00 0.00 0.00 175.10 175.55 3mug s ARG 38 N 0.50 2.69 -0.23 2.72 1.70 0.52 0.60 118.95 127.45 3mug s ARG 38 Ca -0.09 -1.17 -0.04 0.00 -0.47 0.00 0.00 55.73 53.97 3mug s ARG 38 Cb -0.12 -2.42 0.09 0.00 -0.57 0.00 0.00 34.95 31.92 3mug s ARG 38 CO 0.02 0.40 0.15 -1.14 -1.08 0.00 0.00 175.30 173.64 3mug s GLN 39 N -3.69 0.16 0.41 3.89 0.74 0.12 0.73 119.66 122.01 3mug s GLN 39 Ca 0.32 -0.19 -0.25 0.00 0.05 0.00 0.00 55.36 55.29 3mug s GLN 39 Cb -0.08 -1.35 -0.08 0.00 1.10 0.00 0.00 33.01 32.60 3mug s GLN 39 CO 0.23 -0.83 1.26 0.00 -0.55 0.00 0.00 175.29 175.40 3mug s ALA 40 N 2.19 3.19 0.06 1.58 0.00 -1.26 -1.01 121.76 126.51 3mug s ALA 40 Ca 0.06 1.14 -0.35 0.00 0.00 0.00 0.00 51.96 52.82 3mug s ALA 40 Cb -0.16 -3.45 -0.14 0.00 0.00 0.00 0.00 23.12 19.37 3mug s ALA 40 CO -0.22 -0.75 1.61 -2.30 0.00 0.00 0.00 175.76 174.10 3mug n PRO 41 N 0.03 1.90 -0.99 0.00 -0.02 -1.26 -0.91 135.00 133.74 3mug n PRO 41 Ca 0.04 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3mug n PRO 41 Cb 0.45 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 3.51 0.22 3.16 -1.23 0.00 -1.26 -4.99 105.19 104.59 3mug n GLY 42 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3mug n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mug n LYS 43 N -0.74 0.81 -2.07 1.61 4.76 -0.09 -5.15 118.16 117.30 3mug n LYS 43 Ca 0.00 -2.85 -0.28 0.00 -2.87 0.00 0.00 58.31 52.32 3mug n LYS 43 Cb 0.28 0.30 0.11 0.00 -1.84 0.00 0.00 35.03 33.87 3mug n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3mug s GLY 44 N -3.78 1.68 0.25 0.72 0.00 -1.26 -4.71 107.32 100.23 3mug s GLY 44 Ca 0.26 -0.97 -0.30 0.00 0.00 0.00 0.00 44.72 43.72 3mug s GLY 44 CO 0.17 -0.43 1.22 1.08 0.00 0.00 0.00 173.10 175.14 3mug s LEU 45 N -5.50 4.47 -0.20 0.66 1.43 -1.26 -4.22 118.68 114.05 3mug s LEU 45 Ca 0.65 2.40 -0.02 0.00 -1.03 0.00 0.00 54.13 56.12 3mug s LEU 45 Cb -0.09 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.57 3mug s LEU 45 CO 0.48 -0.38 0.03 -1.61 0.23 0.00 0.00 176.35 175.09 3mug s GLU 46 N -0.94 0.78 0.18 1.70 2.02 0.22 -4.98 118.70 117.70 3mug s GLU 46 Ca 0.50 -0.52 -0.32 0.00 0.02 0.00 0.00 54.97 54.66 3mug s GLU 46 Cb -0.35 -2.17 -0.11 0.00 0.10 0.00 0.00 34.13 31.59 3mug s GLU 46 CO 0.42 -0.65 1.75 -0.46 0.02 0.00 0.00 175.26 176.34 3mug s TRP 47 N 1.79 2.71 -0.15 1.61 -0.00 -1.26 -0.36 118.94 123.28 3mug s TRP 47 Ca -0.01 0.25 -0.14 0.00 -0.00 0.00 0.00 56.10 56.20 3mug s TRP 47 Cb -0.17 -4.14 -0.06 0.00 -0.00 0.00 0.00 33.47 29.10 3mug s TRP 47 CO -0.08 -4.44 -0.29 0.28 -0.00 0.00 0.00 176.95 172.42 3mug n VAL 48 N 4.19 1.43 -3.57 5.86 0.31 -0.58 -4.68 118.33 121.29 3mug n VAL 48 Ca 0.16 0.10 -0.09 0.00 -0.01 0.00 0.00 64.34 64.50 3mug n VAL 48 Cb 0.36 -2.16 -0.02 0.00 -0.91 0.00 0.00 33.84 31.12 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 -2.70 -1.57 -0.01 3.52 0.00 -1.09 -0.95 121.76 118.95 3mug s ALA 49 Ca -0.26 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3mug s ALA 49 Cb 0.05 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.93 3mug s ALA 49 CO 0.37 -0.84 -0.04 -1.17 0.00 0.00 0.00 175.76 174.08 3mug s LEU 50 N -2.75 1.82 -0.05 0.00 2.96 -0.42 -1.71 118.68 118.54 3mug s LEU 50 Ca 0.05 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 53.93 3mug s LEU 50 Cb -0.02 -0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.40 3mug s LEU 50 CO -0.06 0.03 -0.21 -0.51 -1.32 0.00 0.00 176.35 174.27 3mug s ILE 51 N 0.15 1.75 0.83 6.68 2.07 -0.43 -0.82 121.20 131.43 3mug s ILE 51 Ca -0.01 -0.90 -0.11 0.00 -1.41 0.00 0.00 60.65 58.22 3mug s ILE 51 Cb -0.05 -1.49 0.09 0.00 0.13 0.00 0.00 42.46 41.15 3mug s ILE 51 CO -0.00 0.49 1.11 -0.94 -1.91 0.00 0.00 174.94 173.69 3mug s SER 52 N -0.12 3.88 0.28 4.50 1.04 0.05 -1.58 113.70 121.75 3mug s SER 52 Ca -0.02 1.88 0.01 0.00 0.48 0.00 0.00 55.95 58.30 3mug s SER 52 Cb -0.12 -2.49 0.66 0.00 0.10 0.00 0.00 66.02 64.17 3mug s SER 52 CO 0.02 -2.44 1.65 -2.24 0.98 0.00 0.00 173.24 171.21 3mug h ASP 52 N -1.41 -0.03 0.74 7.02 2.03 -1.82 -0.67 116.42 122.27 3mug h ASP 52 Ca -0.44 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 3mug h ASP 52 Cb 1.25 0.27 0.00 0.00 -0.83 0.00 0.00 39.33 40.02 3mug h ASP 52 CO 0.49 -0.15 -0.20 -0.90 -1.03 0.00 0.00 179.24 177.45 3mug n ASP 53 N -5.23 0.24 -0.04 4.15 5.68 -1.26 -4.71 116.55 115.37 3mug n ASP 53 Ca 0.20 0.10 -0.00 0.00 -0.50 0.00 0.00 54.79 54.59 3mug n ASP 53 Cb 0.64 -0.17 -0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.09 6.12 0.00 -0.26 -4.93 105.19 108.16 3mug n GLY 54 Ca 0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.72 0.65 -4.07 1.61 2.81 -1.26 -4.84 117.12 109.30 3mug n MET 55 Ca -0.00 0.29 -0.35 0.00 -1.81 0.00 0.00 57.70 55.83 3mug n MET 55 Cb 0.05 -1.78 -0.11 0.00 -0.71 0.00 0.00 33.22 30.67 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 -2.59 3.86 -0.01 0.03 1.81 -1.26 -5.01 118.95 115.77 3mug s ARG 56 Ca -0.07 -0.40 0.03 0.00 -1.72 0.00 0.00 55.73 53.57 3mug s ARG 56 Cb 0.08 -3.16 -0.01 0.00 -0.45 0.00 0.00 34.95 31.42 3mug s ARG 56 CO 0.82 0.21 -0.11 0.15 -0.68 0.00 0.00 175.30 175.68 3mug s LYS 57 N 0.53 0.97 -0.03 3.54 1.02 -1.26 -0.77 119.74 123.74 3mug s LYS 57 Ca 0.02 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.64 3mug s LYS 57 Cb -0.13 -0.93 0.00 0.00 -0.52 0.00 0.00 37.83 36.25 3mug s LYS 57 CO 0.01 0.21 -0.11 0.71 -0.92 0.00 0.00 175.35 175.26 3mug s TYR 58 N -0.14 1.09 0.07 3.18 2.02 -0.00 -5.00 117.35 118.56 3mug s TYR 58 Ca 0.02 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.50 3mug s TYR 58 Cb -0.06 -0.76 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 3mug s TYR 58 CO -0.00 -0.11 -0.15 -1.01 -1.57 0.00 0.00 175.55 172.71 3mug s HIS 59 N 0.13 1.28 0.76 2.71 3.76 -1.26 -1.30 115.29 121.37 3mug s HIS 59 Ca -0.03 -0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 54.33 3mug s HIS 59 Cb -0.09 -0.72 0.05 0.00 1.11 0.00 0.00 32.58 32.93 3mug s HIS 59 CO 0.01 0.07 1.09 -1.54 -0.85 0.00 0.00 174.74 173.52 3mug s SER 60 N -1.68 4.63 0.36 1.40 1.04 -0.12 -4.78 113.70 114.54 3mug s SER 60 Ca -0.01 1.81 0.14 0.00 0.48 0.00 0.00 55.95 58.38 3mug s SER 60 Cb -0.10 -2.52 0.67 0.00 0.10 0.00 0.00 66.02 64.18 3mug s SER 60 CO 0.02 -1.95 1.78 0.44 0.98 0.00 0.00 173.24 174.51 3mug h ASP 61 N -1.02 0.00 1.12 7.02 3.32 -1.94 0.25 116.42 125.18 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 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 3mug h ASP 61 CO 0.52 0.42 -0.02 0.77 -1.72 0.00 0.00 179.24 179.21 3mug h SER 62 N 0.00 0.00 0.00 6.45 4.64 -1.95 -3.29 113.55 119.39 3mug h SER 62 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3mug h SER 62 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3mug h SER 62 CO 0.05 0.02 -1.43 0.23 -0.87 0.00 0.00 176.83 174.83 3mug n MET 63 N -3.11 1.07 -1.63 4.77 2.81 -1.05 -4.97 117.12 115.00 3mug n MET 63 Ca 0.01 -0.05 -0.48 0.00 -1.81 0.00 0.00 57.70 55.36 3mug n MET 63 Cb 0.34 -1.20 -0.05 0.00 -0.71 0.00 0.00 33.22 31.61 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 -1.95 1.89 0.00 2.03 5.03 0.05 -1.54 117.44 122.95 3mug n TRP 64 Ca -0.05 0.46 0.00 0.00 3.03 0.00 0.00 57.50 60.94 3mug n TRP 64 Cb 0.39 -2.43 0.00 0.00 -1.03 0.00 0.00 31.31 28.24 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 2.80 2.91 0.10 6.99 0.00 -1.26 -4.80 105.19 111.93 3mug n GLY 65 Ca 0.17 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.68 -4.27 1.61 1.74 -0.59 -5.00 116.66 110.83 3mug n ARG 66 Ca 0.00 0.08 -0.29 0.00 -0.77 0.00 0.00 57.85 56.86 3mug n ARG 66 Cb 0.00 -1.57 -0.11 0.00 -1.02 0.00 0.00 32.46 29.76 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 -2.52 3.09 -0.07 1.55 -7.23 -0.92 -4.34 120.40 109.95 3mug s VAL 67 Ca -0.13 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3mug s VAL 67 Cb 0.07 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.59 3mug s VAL 67 CO 0.79 0.09 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.73 3mug s THR 68 N -1.21 0.76 -0.04 5.32 2.01 -0.10 -4.84 115.64 117.54 3mug s THR 68 Ca 0.20 -0.19 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 3mug s THR 68 Cb -0.11 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 3mug s THR 68 CO 0.12 0.30 0.31 -0.51 -0.69 0.00 0.00 174.62 174.14 3mug s ILE 69 N 1.34 5.21 0.22 1.82 2.07 -1.26 -0.43 121.20 130.17 3mug s ILE 69 Ca -0.03 0.58 -0.14 0.00 -1.41 0.00 0.00 60.65 59.64 3mug s ILE 69 Cb -0.14 -3.59 0.01 0.00 0.13 0.00 0.00 42.46 38.87 3mug s ILE 69 CO -0.03 0.58 0.48 -0.94 -1.91 0.00 0.00 174.94 173.12 3mug s SER 70 N -1.10 -0.14 0.01 4.50 1.04 -1.05 -5.00 113.70 111.97 3mug s SER 70 Ca 0.21 -0.74 -0.15 0.00 0.48 0.00 0.00 55.95 55.75 3mug s SER 70 Cb -0.15 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.56 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 -3.95 0.74 -0.45 4.02 1.70 -1.26 -0.41 118.95 119.34 3mug s ARG 71 Ca 0.16 -0.32 0.03 0.00 -0.47 0.00 0.00 55.73 55.14 3mug s ARG 71 Cb -0.01 0.33 0.12 0.00 -0.57 0.00 0.00 34.95 34.82 3mug s ARG 71 CO 0.03 -0.22 0.19 0.34 -1.08 0.00 0.00 175.30 174.57 3mug s ASP 72 N -1.65 4.29 0.13 -2.89 3.68 -0.03 -4.98 116.67 115.22 3mug s ASP 72 Ca -0.10 -2.65 0.12 0.00 2.13 0.00 0.00 52.55 52.05 3mug s ASP 72 Cb -0.03 -1.48 0.57 0.00 -1.45 0.00 0.00 42.92 40.53 3mug s ASP 72 CO 0.01 -0.29 1.36 0.59 0.13 0.00 0.00 175.17 176.97 3mug n ASN 73 N 3.57 0.25 0.06 -0.34 3.02 -1.26 -1.50 115.26 119.06 3mug n ASN 73 Ca 0.05 0.60 0.02 0.00 -0.03 0.00 0.00 54.58 55.22 3mug n ASN 73 Cb 0.35 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 38.83 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 -0.24 6.41 4.64 -1.95 -3.36 113.55 119.05 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 0.48 0.00 0.29 -0.87 0.00 0.00 176.83 176.73 3mug n LYS 75 N -2.92 2.18 -3.45 4.77 5.02 -0.58 -5.01 118.16 118.17 3mug n LYS 75 Ca -0.06 -1.77 -0.25 0.00 -2.02 0.00 0.00 58.31 54.21 3mug n LYS 75 Cb 0.78 -1.24 0.02 0.00 -0.02 0.00 0.00 35.03 34.57 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 0.51 -4.76 -4.25 4.39 5.03 -0.56 -4.87 115.26 110.75 3mug n ASN 76 Ca 0.10 -0.49 -0.30 0.00 0.87 0.00 0.00 54.58 54.77 3mug n ASN 76 Cb 0.37 -3.86 -0.16 0.00 -1.02 0.00 0.00 39.78 35.11 3mug n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3mug s THR 77 N -3.12 1.86 -0.02 3.41 2.01 -1.12 -0.70 115.64 117.97 3mug s THR 77 Ca 0.46 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3mug s THR 77 Cb -0.23 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 3mug s THR 77 CO 0.57 0.52 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.79 3mug s LEU 78 N -0.32 3.46 0.24 4.42 2.96 0.10 -0.85 118.68 128.68 3mug s LEU 78 Ca 0.03 -0.00 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 3mug s LEU 78 Cb -0.11 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3mug s LEU 78 CO 0.01 0.30 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.92 3mug s TYR 79 N -1.02 1.85 -0.22 5.38 2.02 0.45 -0.97 117.35 124.84 3mug s TYR 79 Ca 0.18 -0.60 -0.03 0.00 -0.37 0.00 0.00 57.07 56.24 3mug s TYR 79 Cb -0.11 -0.93 0.12 0.00 -0.40 0.00 0.00 41.96 40.63 3mug s TYR 79 CO 0.08 0.36 0.33 -1.17 -1.57 0.00 0.00 175.55 173.57 3mug s LEU 80 N -3.38 -0.46 -0.20 -1.29 2.96 -0.94 -2.53 118.68 112.84 3mug s LEU 80 Ca 0.26 0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 54.23 3mug s LEU 80 Cb 0.01 0.89 -0.05 0.00 0.50 0.00 0.00 46.19 47.54 3mug s LEU 80 CO 0.09 -0.30 0.13 0.00 -1.32 0.00 0.00 176.35 174.95 3mug s GLN 81 N 2.48 4.18 0.32 1.98 -2.07 0.43 -0.65 119.66 126.32 3mug s GLN 81 Ca 0.10 -0.23 0.04 0.00 -1.82 0.00 0.00 55.36 53.45 3mug s GLN 81 Cb -0.15 -3.41 0.04 0.00 -1.09 0.00 0.00 33.01 28.41 3mug s GLN 81 CO -0.14 0.30 0.36 1.19 -1.32 0.00 0.00 175.29 175.68 3mug n PHE 82 N 3.52 -1.88 0.00 9.60 3.72 0.18 -0.92 117.46 131.68 3mug n PHE 82 Ca -0.16 -1.27 0.00 0.00 -0.05 0.00 0.00 57.45 55.97 3mug n PHE 82 Cb 0.52 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 -2.30 0.00 -4.75 4.37 2.88 -1.12 -1.87 113.62 110.83 3mug n SER 82 Ca 0.05 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.23 3mug n SER 82 Cb 0.35 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.85 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 3.61 0.14 2.46 1.43 0.45 -4.62 118.68 122.15 3mug s LEU 82 Ca 0.00 2.37 0.09 0.00 -1.03 0.00 0.00 54.13 55.56 3mug s LEU 82 Cb 0.00 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 3mug s LEU 82 CO 0.00 -1.69 -0.21 -1.59 0.23 0.00 0.00 176.35 173.10 3mug s LYS 83 N -3.45 1.26 0.50 1.70 0.00 -1.26 0.70 119.74 119.19 3mug s LYS 83 Ca 0.77 -1.33 0.19 0.00 0.00 0.00 0.00 55.97 55.59 3mug s LYS 83 Cb -0.30 -1.47 1.25 0.00 0.00 0.00 0.00 37.83 37.31 3mug s LYS 83 CO 0.35 0.32 2.04 0.28 0.00 0.00 0.00 175.35 178.35 3mug h VAL 84 N 3.60 0.87 0.00 1.79 2.07 -1.94 0.11 116.25 122.75 3mug h VAL 84 Ca -0.45 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3mug h VAL 84 Cb 1.19 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3mug h VAL 84 CO 0.45 0.02 0.00 -0.62 0.02 0.00 0.00 177.57 177.45 3mug n GLU 85 N -4.46 0.58 0.00 1.57 4.71 -1.26 -2.54 120.64 119.25 3mug n GLU 85 Ca 0.05 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.32 3mug n GLU 85 Cb 0.36 -1.42 0.10 0.00 -1.01 0.00 0.00 31.44 29.47 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 -0.92 0.79 -4.64 1.62 8.00 0.39 -4.94 116.55 116.85 3mug n ASP 86 Ca 0.12 -0.63 -0.46 0.00 0.71 0.00 0.00 54.79 54.52 3mug n ASP 86 Cb 0.05 0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 41.66 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 -1.40 0.56 -3.63 -3.53 -1.04 -1.05 -4.87 114.28 99.32 3mug n THR 87 Ca 0.05 -0.19 0.01 0.00 -2.04 0.00 0.00 64.05 61.88 3mug n THR 87 Cb 0.34 -2.09 -0.01 0.00 -1.82 0.00 0.00 70.33 66.75 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 5.18 -2.18 -0.13 2.41 0.00 -0.70 -4.50 121.76 121.84 3mug s ALA 88 Ca 0.95 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 53.42 3mug s ALA 88 Cb -0.58 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3mug s ALA 88 CO 0.46 -1.02 0.59 -1.64 0.00 0.00 0.00 175.76 174.15 3mug s MET 89 N -2.49 4.33 -0.32 0.00 -1.94 -0.18 -0.67 119.30 118.02 3mug s MET 89 Ca 0.14 0.63 -0.11 0.00 -1.71 0.00 0.00 55.69 54.64 3mug s MET 89 Cb 0.04 -3.48 -0.01 0.00 2.01 0.00 0.00 34.83 33.38 3mug s MET 89 CO -0.03 0.01 0.18 -0.06 -0.01 0.00 0.00 175.02 175.10 3mug s PHE 90 N 1.08 3.19 -0.09 -0.03 0.40 0.62 0.11 117.98 123.27 3mug s PHE 90 Ca 0.30 -0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 56.14 3mug s PHE 90 Cb -0.16 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.94 3mug s PHE 90 CO 0.13 -0.42 0.07 -0.06 0.70 0.00 0.00 175.22 175.64 3mug s PHE 91 N 1.65 3.37 -0.26 0.36 0.40 0.20 -1.47 117.98 122.24 3mug s PHE 91 Ca 0.05 0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 56.61 3mug s PHE 91 Cb -0.17 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.46 3mug s PHE 91 CO 0.08 0.60 0.22 0.00 0.70 0.00 0.00 175.22 176.81 3mug s ALA 93 N 1.46 0.88 0.03 0.00 0.00 -0.79 -1.16 121.76 122.17 3mug s ALA 93 Ca 0.09 -0.58 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 3mug s ALA 93 Cb -0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 3mug s ALA 93 CO 0.08 0.18 0.57 0.50 0.00 0.00 0.00 175.76 177.08 3mug s ARG 94 N -0.68 4.24 -0.22 0.00 3.52 0.42 -0.78 118.95 125.45 3mug s ARG 94 Ca 0.01 0.70 -0.27 0.00 -0.13 0.00 0.00 55.73 56.04 3mug s ARG 94 Cb -0.06 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3mug s ARG 94 CO 0.00 0.52 0.96 -2.00 -0.81 0.00 0.00 175.30 173.97 3mug s GLU 95 N -0.67 4.25 0.32 5.12 2.56 -0.08 -2.22 118.70 127.97 3mug s GLU 95 Ca 0.29 1.21 -0.29 0.00 0.00 0.00 0.00 54.97 56.18 3mug s GLU 95 Cb -0.19 -3.63 -0.11 0.00 2.00 0.00 0.00 34.13 32.20 3mug s GLU 95 CO 0.18 -0.56 1.54 0.00 -0.56 0.00 0.00 175.26 175.86 3mug s ALA 96 N 2.97 3.68 0.25 6.30 0.00 0.08 -4.22 121.76 130.81 3mug s ALA 96 Ca 0.41 1.55 -0.22 0.00 0.00 0.00 0.00 51.96 53.70 3mug s ALA 96 Cb -0.15 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.38 3mug s ALA 96 CO 0.07 -0.98 0.70 0.20 0.00 0.00 0.00 175.76 175.75 3mug s GLY 97 N 0.26 -0.23 0.00 0.00 0.00 -1.26 -0.22 107.32 105.87 3mug s GLY 97 Ca 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.22 3mug s GLY 97 CO 0.53 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.21 3mug n GLY 98 N -0.44 -0.90 3.80 0.20 0.00 -0.63 -4.94 105.19 102.29 3mug n GLY 98 Ca -0.07 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.70 2.72 -0.13 1.61 0.04 -1.26 -0.53 135.00 135.75 3mug s PRO 99 Ca 0.00 1.03 -0.18 0.00 0.04 0.00 0.00 61.00 61.90 3mug s PRO 99 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3mug s PRO 99 CO 0.00 -1.27 0.47 0.42 0.04 0.00 0.00 177.00 176.66 3mug s ILE 100 N -2.98 5.19 -0.13 0.56 -1.09 0.73 -4.80 121.20 118.68 3mug s ILE 100 Ca 0.59 0.92 -0.14 0.00 -2.23 0.00 0.00 60.65 59.80 3mug s ILE 100 Cb -0.15 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 3mug s ILE 100 CO 0.55 0.31 0.31 0.26 -1.23 0.00 0.00 174.94 175.14 3mug s TRP 100 N 0.73 3.52 -0.30 3.97 0.52 -1.26 0.12 118.94 126.23 3mug s TRP 100 Ca 0.25 0.67 0.19 0.00 0.02 0.00 0.00 56.10 57.23 3mug s TRP 100 Cb -0.15 -2.32 0.47 0.00 -1.15 0.00 0.00 33.47 30.32 3mug s TRP 100 CO 0.10 0.33 1.18 1.58 0.02 0.00 0.00 176.95 180.16 3mug n HIS 100 N 3.19 0.24 0.00 -1.98 -0.00 -1.26 -4.93 115.22 110.48 3mug n HIS 100 Ca -0.12 -2.18 0.00 0.00 0.46 0.00 0.00 57.72 55.87 3mug n HIS 100 Cb 0.52 0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.65 3mug n HIS 100 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3mug n ASP 100 N -0.67 0.00 -4.05 0.26 10.43 -1.26 -4.83 116.55 116.42 3mug n ASP 100 Ca 0.02 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.09 3mug n ASP 100 Cb 0.82 0.00 -0.17 0.00 1.84 0.00 0.00 41.12 43.62 3mug n ASP 100 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3mug s VAL 100 N 0.00 1.51 -0.16 2.53 1.01 -1.26 -5.13 120.40 118.91 3mug s VAL 100 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 3mug s VAL 100 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3mug s VAL 100 CO 0.00 0.44 1.09 -0.54 0.00 0.00 0.00 175.10 176.10 3mug s LYS 100 N 1.04 4.32 0.45 2.72 1.02 -1.26 -4.20 119.74 123.83 3mug s LYS 100 Ca -0.05 1.47 0.05 0.00 0.02 0.00 0.00 55.97 57.46 3mug s LYS 100 Cb -0.15 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 3mug s LYS 100 CO -0.03 -0.52 0.11 0.71 -0.92 0.00 0.00 175.35 174.70 3mug s TYR 100 N 2.74 2.28 0.46 3.18 1.51 0.12 -4.93 117.35 122.72 3mug s TYR 100 Ca 0.49 -0.73 0.06 0.00 -1.01 0.00 0.00 57.07 55.87 3mug s TYR 100 Cb -0.19 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 3mug s TYR 100 CO 0.13 0.21 0.22 0.16 -1.11 0.00 0.00 175.55 175.16 3mug s ASP 100 N -3.88 4.46 -1.05 2.29 3.84 -0.62 -0.19 116.67 121.53 3mug s ASP 100 Ca 0.29 -1.18 -0.23 0.00 -0.00 0.00 0.00 52.55 51.43 3mug s ASP 100 Cb 0.05 -0.14 -0.05 0.00 -1.38 0.00 0.00 42.92 41.40 3mug s ASP 100 CO 0.16 -0.72 1.90 -0.36 -0.00 0.00 0.00 175.17 176.14 3mug s PHE 100 N -2.67 1.97 0.00 2.11 0.08 -1.26 -0.51 117.98 117.70 3mug s PHE 100 Ca 0.35 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.74 3mug s PHE 100 Cb 0.02 -4.11 0.00 0.00 -0.57 0.00 0.00 43.02 38.36 3mug s PHE 100 CO 0.20 -1.54 0.00 -1.71 -0.10 0.00 0.00 175.22 172.07 3mug n ASN 100 N 13.48 0.00 -1.58 1.36 2.85 -1.26 -4.87 115.26 125.24 3mug n ASN 100 Ca 0.42 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.69 3mug n ASN 100 Cb 0.47 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.41 3mug n ASN 100 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3mug n ASP 100 N 0.00 -5.39 0.00 1.20 8.00 0.33 -5.24 116.55 115.45 3mug n ASP 100 Ca 0.00 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.93 3mug n ASP 100 Cb 0.00 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 36.51 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 -0.61 0.89 3.09 0.44 0.00 -1.25 -4.77 105.19 102.98 3mug n GLY 100 Ca -0.20 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 1.29 0.71 0.25 1.61 2.02 0.31 -1.59 117.35 121.96 3mug s TYR 100 Ca 0.00 -0.66 -0.30 0.00 -0.37 0.00 0.00 57.07 55.75 3mug s TYR 100 Cb 0.00 -0.43 -0.09 0.00 -0.40 0.00 0.00 41.96 41.04 3mug s TYR 100 CO 0.00 -0.12 0.99 -0.80 -1.57 0.00 0.00 175.55 174.04 3mug s ASN 100 N -2.09 7.54 0.00 2.29 0.01 -1.26 -1.61 114.94 119.82 3mug s ASN 100 Ca -0.03 2.04 0.24 0.00 -0.71 0.00 0.00 52.86 54.41 3mug s ASN 100 Cb -0.04 -2.62 0.28 0.00 0.41 0.00 0.00 41.25 39.28 3mug s ASN 100 CO -0.02 0.07 1.28 -1.22 -1.51 0.00 0.00 177.10 175.70 3mug n TYR 100 N 1.40 0.00 -3.35 2.20 4.01 0.70 -4.95 117.16 117.17 3mug n TYR 100 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 3mug n TYR 100 Cb 0.46 -0.03 0.08 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.12 -2.16 -3.51 -0.72 8.25 -1.26 -5.00 115.22 110.94 3mug n HIS 100 Ca 0.12 0.87 -0.14 0.00 -0.26 0.00 0.00 57.72 58.31 3mug n HIS 100 Cb 0.46 -4.77 -0.05 0.00 1.12 0.00 0.00 29.99 26.75 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 -3.32 -0.54 -0.37 4.41 -0.85 -1.26 -5.06 117.35 110.36 3mug s TYR 100 Ca 0.15 0.76 -0.10 0.00 -0.52 0.00 0.00 57.07 57.35 3mug s TYR 100 Cb -0.06 0.46 0.03 0.00 0.38 0.00 0.00 41.96 42.77 3mug s TYR 100 CO 0.66 -0.60 0.19 -1.64 -1.52 0.00 0.00 175.55 172.65 3mug s MET 100 N -1.93 2.80 0.10 -3.49 -1.94 -1.26 -0.74 119.30 112.83 3mug s MET 100 Ca -0.05 -1.10 0.21 0.00 -1.71 0.00 0.00 55.69 53.05 3mug s MET 100 Cb -0.00 -3.70 -0.12 0.00 2.01 0.00 0.00 34.83 33.02 3mug s MET 100 CO 0.01 -0.70 0.82 -0.40 -0.01 0.00 0.00 175.02 174.75 3mug n ASP 101 N 4.97 0.61 -4.03 3.03 5.75 -0.94 -4.89 116.55 121.05 3mug n ASP 101 Ca -0.12 0.24 -0.23 0.00 -0.01 0.00 0.00 54.79 54.68 3mug n ASP 101 Cb 0.46 0.79 -0.16 0.00 -1.03 0.00 0.00 41.12 41.18 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 -3.28 1.02 0.05 2.12 1.01 -1.26 -5.00 120.40 115.06 3mug s VAL 102 Ca -0.03 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3mug s VAL 102 Cb 0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3mug s VAL 102 CO 0.83 0.32 -0.14 0.26 0.00 0.00 0.00 175.10 176.36 3mug s TRP 103 N 0.34 1.20 0.64 5.22 0.52 -1.26 -0.43 118.94 125.17 3mug s TRP 103 Ca -0.07 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.64 3mug s TRP 103 Cb -0.12 -0.70 0.07 0.00 -1.15 0.00 0.00 33.47 31.58 3mug s TRP 103 CO 0.02 0.04 0.90 0.20 0.02 0.00 0.00 176.95 178.13 3mug s GLY 104 N -1.41 1.78 0.12 0.98 0.00 -0.31 -4.59 107.32 103.88 3mug s GLY 104 Ca -0.00 -1.39 0.26 0.00 0.00 0.00 0.00 44.72 43.59 3mug s GLY 104 CO 0.02 -0.98 1.80 0.28 0.00 0.00 0.00 173.10 174.21 3mug n LYS 105 N -2.63 0.13 0.00 2.90 5.02 -1.26 -4.77 118.16 117.56 3mug n LYS 105 Ca 0.10 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3mug n LYS 105 Cb 0.60 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 1.12 -0.40 3.09 0.72 0.00 -1.26 -5.03 105.19 103.42 3mug n GLY 106 Ca 0.06 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.04 1.47 -0.11 2.61 -1.32 -0.54 -4.82 115.64 109.88 3mug s THR 107 Ca 0.00 -0.67 -0.18 0.00 -1.21 0.00 0.00 61.69 59.63 3mug s THR 107 Cb 0.00 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 3mug s THR 107 CO 0.00 0.43 0.49 0.28 -2.21 0.00 0.00 174.62 173.61 3mug s THR 108 N 0.59 5.18 -0.25 5.08 -1.32 -1.26 -0.27 115.64 123.38 3mug s THR 108 Ca -0.15 0.98 -0.04 0.00 -1.21 0.00 0.00 61.69 61.26 3mug s THR 108 Cb -0.16 -3.83 0.00 0.00 -1.51 0.00 0.00 72.50 67.00 3mug s THR 108 CO 0.05 0.33 -0.00 -0.69 -2.21 0.00 0.00 174.62 172.10 3mug s VAL 109 N 0.59 3.51 -0.38 5.08 1.01 0.15 -1.05 120.40 129.31 3mug s VAL 109 Ca 0.26 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 3mug s VAL 109 Cb -0.15 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.60 3mug s VAL 109 CO 0.11 0.26 0.18 -0.89 0.00 0.00 0.00 175.10 174.76 3mug s THR 110 N 1.46 3.70 -0.73 3.92 2.01 0.15 -1.72 115.64 124.43 3mug s THR 110 Ca 0.04 -1.52 -0.20 0.00 0.31 0.00 0.00 61.69 60.31 3mug s THR 110 Cb -0.16 -3.28 0.11 0.00 0.01 0.00 0.00 72.50 69.17 3mug s THR 110 CO -0.01 -0.43 0.93 -0.69 -0.69 0.00 0.00 174.62 173.72 3mug s VAL 111 N 1.32 4.65 -0.10 3.82 1.01 -1.25 -0.01 120.40 129.85 3mug s VAL 111 Ca 0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 3mug s VAL 111 Cb -0.22 -4.65 0.05 0.00 0.00 0.00 0.00 36.38 31.56 3mug s VAL 111 CO 0.00 -1.36 0.21 -0.55 0.00 0.00 0.00 175.10 173.40 3mug s SER 112 N 3.58 0.05 -0.10 3.32 0.15 0.82 -4.49 113.70 117.03 3mug s SER 112 Ca 0.22 0.46 0.20 0.00 0.70 0.00 0.00 55.95 57.53 3mug s SER 112 Cb -0.15 0.40 -0.29 0.00 -1.71 0.00 0.00 66.02 64.27 3mug s SER 112 CO 0.02 -0.19 0.32 -1.54 1.20 0.00 0.00 173.24 173.05 3mug n SER 113 N 4.62 0.05 -2.03 5.45 3.41 -1.26 -3.73 113.62 120.14 3mug n SER 113 Ca -0.19 0.02 -0.27 0.00 -0.26 0.00 0.00 58.87 58.18 3mug n SER 113 Cb 0.51 1.46 -0.04 0.00 -0.26 0.00 0.00 64.21 65.89 3mug n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mug n ALA 114 N -2.48 -1.74 -2.37 7.33 0.00 -1.26 -5.04 120.51 114.95 3mug n ALA 114 Ca -0.17 0.26 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 3mug n ALA 114 Cb 0.84 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 3mug n ALA 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mug s SER 115 N 0.17 4.62 0.34 0.00 0.15 -1.26 -5.08 113.70 112.64 3mug s SER 115 Ca 0.41 -0.98 -0.28 0.00 0.70 0.00 0.00 55.95 55.80 3mug s SER 115 Cb -0.58 -0.49 -0.12 0.00 -1.71 0.00 0.00 66.02 63.12 3mug s SER 115 CO 0.27 -0.59 1.36 0.41 1.20 0.00 0.00 173.24 175.89 3mug n THR 116 N -1.34 1.90 -3.73 6.45 -1.04 -1.26 -4.69 114.28 110.57 3mug n THR 116 Ca 0.00 -0.47 -0.15 0.00 -2.04 0.00 0.00 64.05 61.39 3mug n THR 116 Cb 0.64 -1.69 -0.15 0.00 -1.82 0.00 0.00 70.33 67.31 3mug n THR 116 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3mug s LYS 117 N -1.79 0.04 0.58 -2.82 -0.14 -1.26 -4.89 119.74 109.46 3mug s LYS 117 Ca 0.56 0.36 -0.14 0.00 -1.36 0.00 0.00 55.97 55.38 3mug s LYS 117 Cb -0.55 -0.24 -0.05 0.00 -1.68 0.00 0.00 37.83 35.32 3mug s LYS 117 CO 0.61 -0.20 1.03 0.20 -0.76 0.00 0.00 175.35 176.23 3mug s GLY 118 N 1.41 1.94 0.71 -3.33 0.00 -1.26 -2.12 107.32 104.65 3mug s GLY 118 Ca -0.06 0.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.71 3mug s GLY 118 CO -0.05 0.46 1.09 2.56 0.00 0.00 0.00 173.10 177.15 3mug s PRO 119 N -4.45 2.85 -0.20 2.90 0.04 -1.26 -4.47 135.00 130.41 3mug s PRO 119 Ca 0.59 0.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.09 3mug s PRO 119 Cb -0.12 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3mug s PRO 119 CO 0.41 -1.06 0.08 -1.12 0.04 0.00 0.00 177.00 175.35 3mug s SER 120 N -4.25 5.65 -0.19 6.66 0.01 0.52 -4.93 113.70 117.17 3mug s SER 120 Ca 0.58 0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.85 3mug s SER 120 Cb -0.12 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 3mug s SER 120 CO 0.53 0.13 -0.03 -0.69 0.41 0.00 0.00 173.24 173.59 3mug s VAL 121 N 0.61 3.71 0.03 3.43 1.01 -1.26 0.17 120.40 128.11 3mug s VAL 121 Ca 0.04 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3mug s VAL 121 Cb -0.13 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3mug s VAL 121 CO 0.01 0.44 -0.22 -0.36 0.00 0.00 0.00 175.10 174.97 3mug s PHE 122 N 0.99 1.97 0.24 5.22 0.08 0.51 -4.97 117.98 122.03 3mug s PHE 122 Ca 0.01 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.38 3mug s PHE 122 Cb -0.14 -1.20 -0.09 0.00 -0.57 0.00 0.00 43.02 41.02 3mug s PHE 122 CO 0.01 0.07 0.98 -1.25 -0.10 0.00 0.00 175.22 174.93 3mug s PRO 123 N -1.02 4.80 -0.83 0.24 0.04 -1.26 -0.45 135.00 136.52 3mug s PRO 123 Ca 0.09 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 3mug s PRO 123 Cb -0.09 -3.27 0.21 0.00 0.04 0.00 0.00 34.50 31.40 3mug s PRO 123 CO 0.01 0.42 0.73 -0.51 0.04 0.00 0.00 177.00 177.70 3mug s LEU 124 N -1.13 6.03 0.44 -3.56 1.43 -0.07 -4.85 118.68 116.96 3mug s LEU 124 Ca 0.42 -3.08 -0.24 0.00 -1.03 0.00 0.00 54.13 50.20 3mug s LEU 124 Cb -0.27 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.80 3mug s LEU 124 CO 0.34 -0.39 1.01 0.00 0.23 0.00 0.00 176.35 177.53 3mug n ALA 125 N 3.31 0.19 -1.66 4.21 0.00 -1.26 -1.34 120.51 123.97 3mug n ALA 125 Ca 0.15 0.21 -0.51 0.00 0.00 0.00 0.00 53.44 53.29 3mug n ALA 125 Cb 0.41 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 3mug n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3mug n PRO 126 N 0.06 1.59 -4.51 0.00 -0.04 -1.26 -4.80 135.00 126.04 3mug n PRO 126 Ca 0.10 0.58 -0.30 0.00 -0.04 0.00 0.00 63.50 63.83 3mug n PRO 126 Cb 0.40 -2.30 -0.17 0.00 -0.04 0.00 0.00 33.50 31.39 3mug n PRO 126 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3mug s SER 127 N 2.04 2.72 0.23 3.54 0.01 -0.43 -4.86 113.70 116.95 3mug s SER 127 Ca 0.88 -0.50 0.16 0.00 1.31 0.00 0.00 55.95 57.80 3mug s SER 127 Cb -0.87 -1.24 0.02 0.00 0.21 0.00 0.00 66.02 64.15 3mug s SER 127 CO 0.50 0.04 1.29 0.77 0.41 0.00 0.00 173.24 176.25 3mug h SER 128 N 7.43 0.00 -0.97 2.44 4.64 -1.86 -0.34 113.55 124.89 3mug h SER 128 Ca -0.32 0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.32 3mug h SER 128 Cb 1.18 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.11 3mug h SER 128 CO 0.52 0.49 0.40 0.50 -0.87 0.00 0.00 176.83 177.87 3mug h LYS 129 N 0.00 0.15 -0.02 4.77 3.64 -1.95 -2.58 116.57 120.59 3mug h LYS 129 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3mug h LYS 129 Cb 1.41 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 3mug h LYS 129 CO 0.06 0.10 -0.27 0.43 -2.27 0.00 0.00 179.45 177.50 3mug n SER 130 N -5.22 2.39 -3.99 4.20 7.64 -1.26 -5.03 113.62 112.35 3mug n SER 130 Ca 0.30 -1.70 -0.16 0.00 1.01 0.00 0.00 58.87 58.32 3mug n SER 130 Cb 0.97 0.28 0.02 0.00 -1.01 0.00 0.00 64.21 64.47 3mug n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3mug n THR 133 N 0.53 0.00 -2.57 0.44 -2.24 -0.97 -5.09 114.28 104.39 3mug n THR 133 Ca 0.11 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 3mug n THR 133 Cb 0.51 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3mug n THR 133 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3mug n SER 134 N -2.17 0.24 0.00 3.42 7.64 -1.26 -4.96 113.62 116.53 3mug n SER 134 Ca 0.04 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.47 3mug n SER 134 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3mug n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mug n GLY 135 N 5.00 1.18 2.90 0.23 0.00 -1.26 -1.12 105.19 112.12 3mug n GLY 135 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3mug n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mug n GLY 136 N 0.00 2.77 3.49 -0.02 0.00 -1.26 -5.07 105.19 105.10 3mug n GLY 136 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3mug n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mug s THR 137 N -2.16 2.77 0.02 2.61 -4.23 -0.28 -0.75 115.64 113.62 3mug s THR 137 Ca 0.00 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 3mug s THR 137 Cb 0.00 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 3mug s THR 137 CO 0.00 -0.02 -0.12 0.00 -0.54 0.00 0.00 174.62 173.94 3mug s ALA 138 N -1.45 0.98 -0.20 3.99 0.00 -0.93 -4.58 121.76 119.56 3mug s ALA 138 Ca 0.21 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 3mug s ALA 138 Cb -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 3mug s ALA 138 CO 0.11 0.20 0.12 0.00 0.00 0.00 0.00 175.76 176.19 3mug s ALA 139 N -0.60 3.62 0.09 0.00 0.00 -0.14 -2.08 121.76 122.66 3mug s ALA 139 Ca 0.02 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.28 3mug s ALA 139 Cb -0.06 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3mug s ALA 139 CO 0.00 0.12 -0.09 -0.48 0.00 0.00 0.00 175.76 175.31 3mug s LEU 140 N 0.45 2.41 0.00 0.00 0.05 -0.47 -1.31 118.68 119.80 3mug s LEU 140 Ca 0.07 -0.82 0.00 0.00 0.05 0.00 0.00 54.13 53.43 3mug s LEU 140 Cb -0.12 -0.24 0.00 0.00 -2.05 0.00 0.00 46.19 43.78 3mug s LEU 140 CO -0.01 -0.29 0.00 0.61 -0.55 0.00 0.00 176.35 176.11 3mug n GLY 141 N 0.56 2.48 2.80 -3.48 0.00 -0.45 -0.55 105.19 106.54 3mug n GLY 141 Ca -0.16 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.63 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 1.63 4.12 -0.74 0.00 2.96 0.40 -2.15 118.68 124.91 3mug s LEU 143 Ca -0.00 0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 54.32 3mug s LEU 143 Cb -0.13 -2.81 0.19 0.00 0.50 0.00 0.00 46.19 43.94 3mug s LEU 143 CO -0.04 -0.44 0.61 -0.69 -1.32 0.00 0.00 176.35 174.47 3mug s VAL 144 N 2.56 4.59 0.18 1.68 1.01 -0.20 -0.36 120.40 129.86 3mug s VAL 144 Ca 0.25 -2.83 -0.06 0.00 0.00 0.00 0.00 61.98 59.33 3mug s VAL 144 Cb -0.15 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3mug s VAL 144 CO 0.11 -0.96 0.44 -0.54 0.00 0.00 0.00 175.10 174.15 3mug s LYS 145 N -0.09 3.68 -0.87 2.72 1.02 0.13 -1.63 119.74 124.70 3mug s LYS 145 Ca 0.18 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 3mug s LYS 145 Cb -0.15 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3mug s LYS 145 CO -0.06 0.41 0.63 -0.25 -0.92 0.00 0.00 175.35 175.15 3mug n ASP 146 N -0.04 -5.09 -4.44 2.83 8.00 -0.59 -0.35 116.55 116.87 3mug n ASP 146 Ca -0.01 -0.92 -0.28 0.00 0.71 0.00 0.00 54.79 54.29 3mug n ASP 146 Cb 0.52 -2.10 -0.12 0.00 -0.02 0.00 0.00 41.12 39.40 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 -3.07 2.39 0.00 1.24 -0.85 -0.42 -4.43 117.35 112.22 3mug s TYR 147 Ca 0.07 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 3mug s TYR 147 Cb -0.04 -1.24 0.00 0.00 0.38 0.00 0.00 41.96 41.06 3mug s TYR 147 CO 0.89 0.42 0.00 0.34 -1.52 0.00 0.00 175.55 175.67 3mug n PHE 148 N 0.61 0.00 -2.16 -3.49 7.35 -0.90 -0.73 117.46 118.13 3mug n PHE 148 Ca -0.15 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.11 3mug n PHE 148 Cb 0.54 -0.02 -0.03 0.00 0.35 0.00 0.00 39.48 40.32 3mug n PHE 148 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3mug s PRO 149 N -0.66 4.21 0.15 -7.13 0.02 -1.26 -4.74 135.00 125.59 3mug s PRO 149 Ca 0.00 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.07 3mug s PRO 149 Cb 0.00 -3.84 0.45 0.00 0.02 0.00 0.00 34.50 31.13 3mug s PRO 149 CO 0.00 -0.75 0.70 -1.91 -0.33 0.00 0.00 177.00 174.70 3mug n GLU 150 N 6.62 -0.03 -2.15 5.54 0.00 -1.26 -4.61 120.64 124.75 3mug n GLU 150 Ca 0.15 0.64 -0.40 0.00 0.00 0.00 0.00 57.16 57.56 3mug n GLU 150 Cb 0.43 -1.07 -0.03 0.00 0.00 0.00 0.00 31.44 30.77 3mug n GLU 150 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3mug s PRO 151 N -5.02 2.91 -0.10 5.31 0.04 -1.26 -4.95 135.00 131.93 3mug s PRO 151 Ca -0.05 0.63 0.01 0.00 0.04 0.00 0.00 61.00 61.63 3mug s PRO 151 Cb 0.14 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.37 3mug s PRO 151 CO 0.35 -2.40 -0.12 0.08 0.04 0.00 0.00 177.00 174.94 3mug s VAL 152 N 7.90 3.16 -0.13 -0.36 1.01 -1.26 -4.19 120.40 126.53 3mug s VAL 152 Ca 0.63 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 3mug s VAL 152 Cb -0.13 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3mug s VAL 152 CO 0.23 0.55 -0.13 -0.89 0.00 0.00 0.00 175.10 174.86 3mug s THR 153 N -0.09 3.05 -0.11 3.92 2.01 0.35 -4.97 115.64 119.79 3mug s THR 153 Ca -0.01 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.35 3mug s THR 153 Cb -0.14 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.10 3mug s THR 153 CO 0.03 0.52 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.62 3mug s VAL 154 N 0.39 1.69 0.25 3.82 1.01 -1.26 -0.20 120.40 126.10 3mug s VAL 154 Ca -0.10 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3mug s VAL 154 Cb -0.16 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 3mug s VAL 154 CO 0.05 0.48 -0.08 -0.94 0.00 0.00 0.00 175.10 174.61 3mug s SER 156 N 0.80 2.62 -0.07 3.32 1.04 -0.31 -4.97 113.70 116.13 3mug s SER 156 Ca -0.10 -1.14 0.03 0.00 0.48 0.00 0.00 55.95 55.22 3mug s SER 156 Cb -0.16 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.83 3mug s SER 156 CO 0.01 -0.30 -0.16 0.26 0.98 0.00 0.00 173.24 174.03 3mug s TRP 157 N -3.04 1.76 -1.52 5.02 0.52 -1.26 -0.16 118.94 120.27 3mug s TRP 157 Ca 0.27 -0.67 -0.13 0.00 0.02 0.00 0.00 56.10 55.60 3mug s TRP 157 Cb 0.03 -1.24 0.08 0.00 -1.15 0.00 0.00 33.47 31.18 3mug s TRP 157 CO 0.10 -0.31 0.95 0.09 0.02 0.00 0.00 176.95 177.81 3mug n ASN 162 N 3.69 -4.41 -1.36 2.95 4.13 0.25 -1.84 115.26 118.68 3mug n ASN 162 Ca -0.22 -0.79 -0.15 0.00 1.68 0.00 0.00 54.58 55.10 3mug n ASN 162 Cb 0.52 -3.87 -0.05 0.00 -1.54 0.00 0.00 39.78 34.85 3mug n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3mug n SER 163 N -2.85 -4.75 0.00 6.41 7.64 -1.26 -2.56 113.62 116.25 3mug n SER 163 Ca 0.01 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.13 3mug n SER 163 Cb 0.54 -3.68 0.00 0.00 -1.01 0.00 0.00 64.21 60.06 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 -1.08 0.41 0.09 0.23 0.00 -0.77 -4.95 105.19 99.12 3mug n GLY 164 Ca -0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.95 3mug n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug n ALA 165 N -1.67 1.49 -3.92 4.61 0.00 -1.06 -4.41 120.51 115.55 3mug n ALA 165 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 3mug n ALA 165 Cb 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 19.45 18.00 3mug n ALA 165 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3mug s LEU 166 N -3.93 2.58 0.00 0.00 2.96 -0.89 -4.95 118.68 114.46 3mug s LEU 166 Ca 0.03 -1.23 0.00 0.00 -0.22 0.00 0.00 54.13 52.71 3mug s LEU 166 Cb 0.08 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.62 3mug s LEU 166 CO 0.28 -0.26 0.00 0.35 -1.32 0.00 0.00 176.35 175.41 3mug n THR 167 N 4.68 0.00 -2.56 3.68 -2.24 -1.26 -3.99 114.28 112.59 3mug n THR 167 Ca -0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 3mug n THR 167 Cb 0.44 -0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 3mug n THR 167 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3mug s SER 168 N -2.31 6.92 0.00 3.42 0.01 -1.26 -3.25 113.70 117.23 3mug s SER 168 Ca 0.00 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.54 3mug s SER 168 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3mug s SER 168 CO 0.00 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.41 3mug n GLY 169 N 3.78 0.65 3.71 3.44 0.00 -1.26 -4.73 105.19 110.79 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 171 N -2.48 4.40 -0.25 1.61 1.01 -1.20 -2.95 120.40 120.53 3mug s VAL 171 Ca 0.00 1.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.68 3mug s VAL 171 Cb 0.00 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 32.36 3mug s VAL 171 CO 0.00 0.15 0.14 -1.00 0.00 0.00 0.00 175.10 174.38 3mug s HIS 172 N 0.95 0.20 -0.33 5.22 3.76 0.31 -5.00 115.29 120.40 3mug s HIS 172 Ca 0.55 -0.62 -0.15 0.00 -0.15 0.00 0.00 55.06 54.69 3mug s HIS 172 Cb -0.26 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 3mug s HIS 172 CO 0.29 -0.74 0.34 0.99 -0.85 0.00 0.00 174.74 174.77 3mug s THR 173 N 2.14 5.19 0.45 1.30 2.01 -1.26 -1.11 115.64 124.36 3mug s THR 173 Ca 0.07 0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.96 3mug s THR 173 Cb -0.16 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 3mug s THR 173 CO -0.28 -0.04 1.01 -0.36 -0.69 0.00 0.00 174.62 174.26 3mug s PHE 174 N 1.99 3.15 0.70 4.92 0.40 -0.11 -5.00 117.98 124.02 3mug s PHE 174 Ca 0.11 1.60 -0.16 0.00 -0.60 0.00 0.00 56.93 57.88 3mug s PHE 174 Cb -0.16 -3.00 0.02 0.00 0.51 0.00 0.00 43.02 40.39 3mug s PHE 174 CO 0.11 -0.54 1.26 -2.14 0.70 0.00 0.00 175.22 174.62 3mug s PRO 175 N -3.10 2.25 0.53 0.24 0.02 -1.26 -4.36 135.00 129.31 3mug s PRO 175 Ca 0.64 1.95 -0.20 0.00 0.02 0.00 0.00 61.00 63.41 3mug s PRO 175 Cb -0.15 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 3mug s PRO 175 CO 0.18 -1.80 1.11 0.00 -0.33 0.00 0.00 177.00 176.17 3mug s ALA 176 N -1.66 2.75 -0.11 -1.55 0.00 -1.26 -4.76 121.76 115.16 3mug s ALA 176 Ca 0.79 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 53.40 3mug s ALA 176 Cb -0.34 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 3mug s ALA 176 CO 0.43 -0.66 0.29 0.54 0.00 0.00 0.00 175.76 176.37 3mug s VAL 177 N -1.81 5.28 -0.44 0.00 0.11 0.10 -4.94 120.40 118.69 3mug s VAL 177 Ca 0.71 0.55 -0.16 0.00 -2.93 0.00 0.00 61.98 60.16 3mug s VAL 177 Cb -0.22 -3.61 0.04 0.00 -1.53 0.00 0.00 36.38 31.06 3mug s VAL 177 CO 0.25 0.48 0.38 -0.22 -3.33 0.00 0.00 175.10 172.66 3mug s LEU 178 N -0.18 5.28 0.74 2.54 2.96 -1.26 -2.05 118.68 126.70 3mug s LEU 178 Ca 0.18 -1.04 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 3mug s LEU 178 Cb -0.14 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 44.37 3mug s LEU 178 CO 0.06 -0.57 1.08 -1.10 -1.32 0.00 0.00 176.35 174.50 3mug s GLN 179 N 1.78 2.57 -1.35 1.98 -0.21 -0.22 -4.95 119.66 119.26 3mug s GLN 179 Ca 0.06 0.72 -0.10 0.00 0.02 0.00 0.00 55.36 56.06 3mug s GLN 179 Cb -0.21 -1.97 0.12 0.00 1.00 0.00 0.00 33.01 31.95 3mug s GLN 179 CO 0.09 -1.30 2.08 0.43 -2.12 0.00 0.00 175.29 174.47 3mug n SER 180 N -3.23 5.23 0.00 5.90 7.64 -1.26 -1.05 113.62 126.85 3mug n SER 180 Ca 0.07 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.94 3mug n SER 180 Cb 0.55 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 3mug n SER 180 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3mug n SER 182 N 4.23 0.00 0.00 6.43 3.41 -1.26 -4.82 113.62 121.60 3mug n SER 182 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3mug n SER 182 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3mug n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mug n GLY 183 N 0.00 1.15 3.95 5.00 0.00 -0.22 -4.97 105.19 110.09 3mug n GLY 183 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 3.98 0.22 0.99 1.43 -1.26 -4.82 118.68 119.23 3mug s LEU 184 Ca 0.00 0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.52 3mug s LEU 184 Cb 0.00 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 3mug s LEU 184 CO 0.00 -0.34 0.23 -0.31 0.23 0.00 0.00 176.35 176.15 3mug s TYR 185 N -2.32 3.22 -0.13 0.29 2.02 0.09 -1.06 117.35 119.47 3mug s TYR 185 Ca 0.41 -0.06 -0.10 0.00 -0.37 0.00 0.00 57.07 56.96 3mug s TYR 185 Cb -0.10 -1.48 0.04 0.00 -0.40 0.00 0.00 41.96 40.02 3mug s TYR 185 CO 0.35 0.50 0.32 -1.12 -1.57 0.00 0.00 175.55 174.04 3mug s SER 186 N -3.68 -0.35 0.14 2.29 0.01 -0.87 -1.30 113.70 109.93 3mug s SER 186 Ca 0.33 0.66 0.01 0.00 1.31 0.00 0.00 55.95 58.26 3mug s SER 186 Cb -0.09 0.63 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 3mug s SER 186 CO 0.26 -0.13 -0.01 -1.48 0.41 0.00 0.00 173.24 172.28 3mug s LEU 187 N 0.56 2.20 0.02 2.44 0.05 -0.64 -0.72 118.68 122.59 3mug s LEU 187 Ca -0.03 -1.12 0.05 0.00 0.05 0.00 0.00 54.13 53.08 3mug s LEU 187 Cb -0.05 0.01 -0.02 0.00 -2.05 0.00 0.00 46.19 44.09 3mug s LEU 187 CO -0.03 -0.57 -0.16 -0.44 -0.55 0.00 0.00 176.35 174.60 3mug s SER 188 N -3.10 1.91 -0.09 1.48 0.01 -1.26 -1.03 113.70 111.61 3mug s SER 188 Ca 0.19 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.06 3mug s SER 188 Cb 0.06 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.15 3mug s SER 188 CO 0.00 0.12 -0.12 -0.55 0.41 0.00 0.00 173.24 173.10 3mug s SER 189 N -0.87 2.11 0.19 2.44 0.15 -0.91 -0.93 113.70 115.88 3mug s SER 189 Ca 0.05 -0.34 0.10 0.00 0.70 0.00 0.00 55.95 56.45 3mug s SER 189 Cb -0.07 -0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 63.27 3mug s SER 189 CO 0.01 -0.02 -0.22 0.68 1.20 0.00 0.00 173.24 174.89 3mug s VAL 190 N 1.08 2.16 0.00 4.45 -7.23 -0.27 -1.02 120.40 119.57 3mug s VAL 190 Ca -0.06 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 3mug s VAL 190 Cb -0.15 -2.02 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 3mug s VAL 190 CO -0.02 -0.20 -0.02 0.54 -0.31 0.00 0.00 175.10 175.09 3mug s VAL 191 N -1.84 0.16 -0.27 1.32 0.11 0.28 -0.53 120.40 119.64 3mug s VAL 191 Ca 0.19 -0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 3mug s VAL 191 Cb -0.07 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 3mug s VAL 191 CO 0.09 -0.02 0.09 0.42 -3.33 0.00 0.00 175.10 172.35 3mug s THR 192 N -0.22 4.38 0.17 5.04 -4.23 -1.15 -1.37 115.64 118.26 3mug s THR 192 Ca -0.01 -0.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.33 3mug s THR 192 Cb -0.02 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 3mug s THR 192 CO -0.00 0.25 -0.19 0.68 -0.54 0.00 0.00 174.62 174.83 3mug s VAL 193 N 1.61 1.87 0.28 2.29 -7.23 -0.88 -4.69 120.40 113.65 3mug s VAL 193 Ca 0.06 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 3mug s VAL 193 Cb -0.16 -1.88 -0.10 0.00 0.56 0.00 0.00 36.38 34.80 3mug s VAL 193 CO 0.04 -0.31 1.27 -2.16 -0.31 0.00 0.00 175.10 173.63 3mug s PRO 194 N -2.84 4.43 0.61 4.82 0.04 -1.26 -2.19 135.00 138.61 3mug s PRO 194 Ca 0.17 2.08 0.37 0.00 0.04 0.00 0.00 61.00 63.65 3mug s PRO 194 Cb -0.06 -3.14 1.99 0.00 0.04 0.00 0.00 34.50 33.34 3mug s PRO 194 CO 0.07 -0.13 2.25 0.77 0.04 0.00 0.00 177.00 180.00 3mug h SER 195 N 4.13 0.00 0.15 6.66 0.02 -1.26 -2.04 113.55 121.21 3mug h SER 195 Ca -0.47 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 3mug h SER 195 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3mug h SER 195 CO 0.70 0.02 -0.30 0.28 -1.14 0.00 0.00 176.83 176.39 3mug h SER 196 N 0.00 0.23 0.91 3.07 0.02 -1.91 -3.13 113.55 112.74 3mug h SER 196 Ca -0.00 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 3mug h SER 196 Cb 0.12 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3mug h SER 196 CO 0.00 0.53 -0.66 0.77 -1.14 0.00 0.00 176.83 176.34 3mug h SER 197 N 0.21 0.00 -0.99 3.07 4.64 -1.75 -3.40 113.55 115.32 3mug h SER 197 Ca 0.03 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.69 3mug h SER 197 Cb 0.64 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.55 3mug h SER 197 CO 0.05 0.66 0.30 -0.07 -0.87 0.00 0.00 176.83 176.89 3mug h LEU 198 N 0.00 -0.05 0.00 5.97 -0.00 -1.63 0.73 115.31 120.33 3mug h LEU 198 Ca -0.01 0.26 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 3mug h LEU 198 Cb 1.29 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 42.31 3mug h LEU 198 CO 0.09 -0.37 -0.47 0.61 -0.00 0.00 0.00 178.44 178.30 3mug n GLY 199 N -1.37 -1.34 0.39 0.83 0.00 -1.26 -4.52 105.19 97.91 3mug n GLY 199 Ca 0.30 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.70 1.37 -2.70 2.61 -2.24 0.21 -5.02 114.28 106.81 3mug n THR 200 Ca 0.05 0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.57 3mug n THR 200 Cb 0.37 -2.06 -0.05 0.00 -2.10 0.00 0.00 70.33 66.49 3mug n THR 200 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3mug s GLN 203 N -2.59 4.70 -0.06 -0.78 1.11 0.23 -5.05 119.66 117.22 3mug s GLN 203 Ca -0.21 1.50 -0.15 0.00 0.01 0.00 0.00 55.36 56.51 3mug s GLN 203 Cb 0.04 -3.35 -0.05 0.00 -1.01 0.00 0.00 33.01 28.64 3mug s GLN 203 CO 0.30 0.24 0.40 0.95 0.01 0.00 0.00 175.29 177.19 3mug s THR 205 N -0.21 5.13 -0.15 -0.19 -4.23 -1.26 -4.63 115.64 110.09 3mug s THR 205 Ca 0.46 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 3mug s THR 205 Cb -0.25 -3.72 -0.00 0.00 1.34 0.00 0.00 72.50 69.87 3mug s THR 205 CO 0.31 0.48 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.40 3mug s TYR 206 N -0.35 2.77 -0.08 3.99 2.02 -1.26 -4.98 117.35 119.47 3mug s TYR 206 Ca 0.23 -0.98 0.01 0.00 -0.37 0.00 0.00 57.07 55.95 3mug s TYR 206 Cb -0.16 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3mug s TYR 206 CO 0.11 -0.43 -0.07 0.42 -1.57 0.00 0.00 175.55 174.01 3mug s ILE 207 N 0.73 0.82 -0.04 2.71 1.01 -1.26 -0.58 121.20 124.59 3mug s ILE 207 Ca -0.07 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 3mug s ILE 207 Cb -0.16 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 3mug s ILE 207 CO 0.01 0.31 0.37 0.00 0.00 0.00 0.00 174.94 175.63 3mug s ASN 209 N -0.79 5.45 -0.20 0.00 -0.87 0.77 -1.57 114.94 117.72 3mug s ASN 209 Ca 0.22 -1.67 -0.13 0.00 -1.57 0.00 0.00 52.86 49.71 3mug s ASN 209 Cb -0.16 -1.91 -0.05 0.00 -0.02 0.00 0.00 41.25 39.12 3mug s ASN 209 CO 0.11 -0.52 0.27 0.54 -2.57 0.00 0.00 177.10 174.92 3mug s VAL 210 N 1.32 5.30 -0.12 1.60 0.11 0.36 -1.16 120.40 127.80 3mug s VAL 210 Ca 0.04 0.44 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 3mug s VAL 210 Cb -0.23 -3.60 0.02 0.00 -1.53 0.00 0.00 36.38 31.04 3mug s VAL 210 CO -0.00 0.34 -0.12 0.21 -3.33 0.00 0.00 175.10 172.19 3mug s ASN 211 N 0.83 2.34 -0.73 3.54 3.84 0.72 -0.79 114.94 124.70 3mug s ASN 211 Ca 0.14 -0.39 0.04 0.00 0.21 0.00 0.00 52.86 52.86 3mug s ASN 211 Cb -0.13 -1.00 0.18 0.00 -0.55 0.00 0.00 41.25 39.74 3mug s ASN 211 CO 0.05 -0.05 0.53 -2.28 -2.79 0.00 0.00 177.10 172.56 3mug s HIS 212 N 1.33 3.62 0.32 0.43 5.65 0.07 -0.49 115.29 126.22 3mug s HIS 212 Ca -0.00 -3.29 0.09 0.00 0.25 0.00 0.00 55.06 52.11 3mug s HIS 212 Cb -0.14 -2.80 0.87 0.00 -1.18 0.00 0.00 32.58 29.33 3mug s HIS 212 CO -0.06 -0.58 1.72 0.87 -0.65 0.00 0.00 174.74 176.04 3mug h LYS 213 N 5.53 0.54 -0.07 2.88 1.79 -1.79 -1.89 116.57 123.56 3mug h LYS 213 Ca 0.14 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.60 3mug h LYS 213 Cb 0.77 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 3mug h LYS 213 CO 0.74 0.36 0.07 -1.35 -1.08 0.00 0.00 179.45 178.19 3mug h PRO 214 N 0.56 0.00 -0.01 3.15 0.11 -1.89 -2.34 132.00 131.57 3mug h PRO 214 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 3mug h PRO 214 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mug h PRO 214 CO -0.48 0.00 -0.07 -1.13 -0.21 0.00 0.00 178.00 176.11 3mug n SER 215 N -4.03 1.70 -3.19 -2.05 3.41 -0.93 -5.00 113.62 103.53 3mug n SER 215 Ca -0.01 -1.35 -0.23 0.00 -0.26 0.00 0.00 58.87 57.02 3mug n SER 215 Cb 0.17 0.14 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.35 -6.12 -4.67 4.04 3.02 -0.76 -4.96 115.26 106.17 3mug n ASN 216 Ca 0.06 -0.36 -0.35 0.00 -0.03 0.00 0.00 54.58 53.90 3mug n ASN 216 Cb 0.26 -4.91 -0.09 0.00 -0.61 0.00 0.00 39.78 34.42 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 -3.21 4.92 -0.10 3.41 2.01 -1.02 -5.00 115.64 116.65 3mug s THR 217 Ca 0.38 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.41 3mug s THR 217 Cb -0.17 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.14 3mug s THR 217 CO 0.48 0.47 -0.15 -0.54 -0.69 0.00 0.00 174.62 174.19 3mug s LYS 218 N 0.23 2.14 -0.10 4.92 1.02 -1.26 -0.75 119.74 125.95 3mug s LYS 218 Ca 0.05 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.51 3mug s LYS 218 Cb -0.12 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.40 3mug s LYS 218 CO -0.00 -0.04 -0.10 0.08 -0.92 0.00 0.00 175.35 174.37 3mug s VAL 219 N 0.92 1.13 -0.36 3.17 1.01 0.03 -5.01 120.40 121.29 3mug s VAL 219 Ca -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3mug s VAL 219 Cb -0.15 -1.09 0.08 0.00 0.00 0.00 0.00 36.38 35.22 3mug s VAL 219 CO -0.00 0.37 0.13 -1.81 0.00 0.00 0.00 175.10 173.79 3mug s ASP 220 N 1.22 5.16 -0.22 3.32 1.01 -1.26 -0.49 116.67 125.41 3mug s ASP 220 Ca -0.04 -1.66 -0.06 0.00 0.71 0.00 0.00 52.55 51.50 3mug s ASP 220 Cb -0.14 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 3mug s ASP 220 CO -0.03 -0.42 0.04 -0.75 0.21 0.00 0.00 175.17 174.21 3mug s LYS 221 N 1.22 3.68 -0.15 8.23 2.47 -0.61 -4.95 119.74 129.64 3mug s LYS 221 Ca 0.03 -0.48 -0.24 0.00 -1.56 0.00 0.00 55.97 53.72 3mug s LYS 221 Cb -0.21 -3.20 -0.02 0.00 -1.46 0.00 0.00 37.83 32.93 3mug s LYS 221 CO -0.02 -0.04 0.76 0.50 0.16 0.00 0.00 175.35 176.71 3mug s ARG 222 N 1.17 4.32 -0.35 4.03 3.52 -1.26 -1.44 118.95 128.94 3mug s ARG 222 Ca 0.04 0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 56.42 3mug s ARG 222 Cb -0.14 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 3mug s ARG 222 CO 0.02 -0.20 0.21 0.08 -0.81 0.00 0.00 175.30 174.60 3mug s VAL 225 N 1.73 4.85 0.22 7.11 1.01 0.25 -4.94 120.40 130.63 3mug s VAL 225 Ca 0.36 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.91 3mug s VAL 225 Cb -0.17 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3mug s VAL 225 CO 0.14 -0.09 -0.11 -1.83 0.00 0.00 0.00 175.10 173.21 3mug s GLU 226 N 1.63 1.98 0.32 2.72 -1.05 -1.26 -4.23 118.70 118.82 3mug s GLU 226 Ca 0.04 -1.43 -0.29 0.00 -0.15 0.00 0.00 54.97 53.15 3mug s GLU 226 Cb -0.18 -2.05 -0.10 0.00 -0.44 0.00 0.00 34.13 31.36 3mug s GLU 226 CO 0.08 0.39 1.29 -2.14 0.95 0.00 0.00 175.26 175.84 3mug s PRO 227 N -3.14 4.38 0.00 -4.83 0.02 -1.26 -4.48 135.00 125.68 3mug s PRO 227 Ca 0.27 2.18 0.30 0.00 0.02 0.00 0.00 61.00 63.78 3mug s PRO 227 Cb -0.07 -3.08 1.56 0.00 0.02 0.00 0.00 34.50 32.92 3mug s PRO 227 CO 0.16 -0.16 2.03 0.36 -0.33 0.00 0.00 177.00 179.06