#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b9k s VAL 2 N 0.00 2.74 -0.05 5.09 1.01 -1.26 -4.45 120.40 123.47 3b9k s VAL 2 Ca 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 3b9k s VAL 2 Cb 0.00 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3b9k s VAL 2 CO 0.00 0.37 0.16 -0.13 0.00 0.00 0.00 175.10 175.51 3b9k s ARG 3 N -1.32 0.24 -0.04 2.72 0.52 0.13 -4.98 118.95 116.21 3b9k s ARG 3 Ca 0.14 0.15 0.06 0.00 -0.52 0.00 0.00 55.73 55.56 3b9k s ARG 3 Cb -0.10 0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.46 3b9k s ARG 3 CO 0.04 -0.04 -0.23 -0.51 0.02 0.00 0.00 175.30 174.58 3b9k s LEU 4 N -0.12 2.19 -0.18 2.53 1.02 -1.26 -0.11 118.68 122.75 3b9k s LEU 4 Ca -0.02 -0.44 -0.04 0.00 0.02 0.00 0.00 54.13 53.65 3b9k s LEU 4 Cb -0.02 -1.40 0.08 0.00 0.02 0.00 0.00 46.19 44.88 3b9k s LEU 4 CO 0.00 0.29 0.22 -1.58 0.02 0.00 0.00 176.35 175.30 3b9k s GLN 5 N -0.42 0.17 0.03 1.70 0.74 -0.83 -4.22 119.66 116.83 3b9k s GLN 5 Ca 0.04 0.32 -0.15 0.00 0.05 0.00 0.00 55.36 55.62 3b9k s GLN 5 Cb -0.12 -0.95 -0.06 0.00 1.10 0.00 0.00 33.01 32.98 3b9k s GLN 5 CO 0.01 -0.57 0.44 -1.21 -0.55 0.00 0.00 175.29 173.42 3b9k s GLU 6 N 2.34 3.95 0.04 1.67 8.01 -1.26 -0.65 118.70 132.80 3b9k s GLU 6 Ca 0.06 0.45 -0.01 0.00 0.01 0.00 0.00 54.97 55.48 3b9k s GLU 6 Cb -0.15 -3.18 -0.03 0.00 -4.31 0.00 0.00 34.13 26.46 3b9k s GLU 6 CO -0.11 0.66 -0.02 -1.54 0.01 0.00 0.00 175.26 174.26 3b9k s SER 7 N -1.19 0.40 0.00 -0.19 1.04 0.22 -4.81 113.70 109.17 3b9k s SER 7 Ca 0.26 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3b9k s SER 7 Cb -0.17 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.13 3b9k s SER 7 CO 0.15 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3b9k n GLY 8 N 0.55 3.26 0.32 7.32 0.00 -1.26 -0.70 105.19 114.67 3b9k n GLY 8 Ca -0.17 -1.01 0.17 0.00 0.00 0.00 0.00 46.02 45.01 3b9k n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3b9k h PRO 9 N 0.00 0.23 0.00 1.61 0.11 -1.95 -3.45 132.00 128.55 3b9k h PRO 9 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3b9k h PRO 9 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3b9k h PRO 9 CO 0.00 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 178.35 3b9k n GLY 10 N -1.35 2.78 2.81 -0.55 0.00 -1.26 -4.92 105.19 102.70 3b9k n GLY 10 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 3b9k n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3b9k s LEU 11 N 0.00 0.83 -0.02 0.99 2.96 -1.26 -2.25 118.68 119.92 3b9k s LEU 11 Ca 0.00 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3b9k s LEU 11 Cb 0.00 -0.46 -0.01 0.00 0.50 0.00 0.00 46.19 46.22 3b9k s LEU 11 CO 0.00 -0.15 -0.14 0.54 -1.32 0.00 0.00 176.35 175.28 3b9k s VAL 12 N 1.66 1.13 0.43 1.68 0.11 -0.71 -4.97 120.40 119.74 3b9k s VAL 12 Ca 0.01 -0.59 -0.21 0.00 -2.93 0.00 0.00 61.98 58.25 3b9k s VAL 12 Cb -0.13 -0.96 -0.10 0.00 -1.53 0.00 0.00 36.38 33.66 3b9k s VAL 12 CO -0.04 0.33 0.98 -1.10 -3.33 0.00 0.00 175.10 171.93 3b9k s GLN 13 N -0.17 4.15 0.79 1.54 -0.21 -1.26 -2.38 119.66 122.12 3b9k s GLN 13 Ca 0.02 1.22 -0.13 0.00 0.02 0.00 0.00 55.36 56.49 3b9k s GLN 13 Cb -0.07 -2.23 0.07 0.00 1.00 0.00 0.00 33.01 31.78 3b9k s GLN 13 CO 0.00 -0.11 1.19 -1.25 -2.12 0.00 0.00 175.29 173.00 3b9k s PRO 14 N -3.06 1.79 0.00 2.91 0.04 -1.26 -2.15 135.00 133.27 3b9k s PRO 14 Ca 0.62 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3b9k s PRO 14 Cb -0.12 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3b9k s PRO 14 CO 0.17 -2.09 0.00 0.45 0.04 0.00 0.00 177.00 175.57 3b9k n SER 15 N -3.18 0.00 -0.76 6.66 2.88 -1.26 -4.96 113.62 113.00 3b9k n SER 15 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 3b9k n SER 15 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3b9k n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3b9k n GLN 16 N -2.00 2.27 -5.21 -1.46 6.02 -0.91 -4.91 117.38 111.18 3b9k n GLN 16 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 3b9k n GLN 16 Cb 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.10 3b9k n GLN 16 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3b9k s THR 17 N 1.55 1.95 -0.12 5.09 -1.32 -1.26 -4.27 115.64 117.25 3b9k s THR 17 Ca 0.00 -1.02 -0.18 0.00 -1.21 0.00 0.00 61.69 59.27 3b9k s THR 17 Cb 0.00 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 69.31 3b9k s THR 17 CO 0.00 0.55 0.49 -0.22 -2.21 0.00 0.00 174.62 173.23 3b9k s LEU 18 N -0.26 4.26 -0.12 9.08 2.96 0.25 -4.90 118.68 129.96 3b9k s LEU 18 Ca 0.00 0.82 -0.00 0.00 -0.22 0.00 0.00 54.13 54.73 3b9k s LEU 18 Cb -0.12 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.87 3b9k s LEU 18 CO 0.02 -0.03 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.48 3b9k s SER 19 N 0.70 2.33 0.04 3.68 0.01 -1.26 -0.66 113.70 118.54 3b9k s SER 19 Ca 0.26 -0.36 0.08 0.00 1.31 0.00 0.00 55.95 57.24 3b9k s SER 19 Cb -0.15 -0.95 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 3b9k s SER 19 CO 0.11 -0.09 -0.24 -0.76 0.41 0.00 0.00 173.24 172.67 3b9k s LEU 20 N 1.59 2.16 -0.06 2.44 1.43 -0.22 -4.36 118.68 121.66 3b9k s LEU 20 Ca 0.04 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3b9k s LEU 20 Cb -0.13 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3b9k s LEU 20 CO -0.09 0.22 -0.07 -0.89 0.23 0.00 0.00 176.35 175.75 3b9k s THR 21 N -0.78 3.68 -0.32 5.49 2.01 0.12 -0.72 115.64 125.12 3b9k s THR 21 Ca 0.10 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3b9k s THR 21 Cb -0.09 -2.51 0.08 0.00 0.01 0.00 0.00 72.50 69.99 3b9k s THR 21 CO 0.02 0.57 0.02 0.00 -0.69 0.00 0.00 174.62 174.54 3b9k s SER 23 N 1.16 5.98 0.09 0.00 1.04 0.17 -1.19 113.70 120.95 3b9k s SER 23 Ca 0.03 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.54 3b9k s SER 23 Cb -0.20 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 3b9k s SER 23 CO -0.06 0.05 0.18 0.68 0.98 0.00 0.00 173.24 175.07 3b9k s VAL 24 N 1.11 5.03 -0.02 5.02 -7.23 -0.36 -1.96 120.40 121.99 3b9k s VAL 24 Ca 0.07 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 3b9k s VAL 24 Cb -0.14 -3.48 0.01 0.00 0.56 0.00 0.00 36.38 33.34 3b9k s VAL 24 CO 0.05 0.07 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.33 3b9k s SER 25 N -2.65 0.66 0.00 4.85 0.15 0.84 -4.85 113.70 112.70 3b9k s SER 25 Ca 0.33 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.89 3b9k s SER 25 Cb -0.12 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 3b9k s SER 25 CO 0.26 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.29 3b9k n GLY 26 N 3.65 0.75 3.52 9.45 0.00 -1.26 -0.69 105.19 120.61 3b9k n GLY 26 Ca -0.21 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 3b9k n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3b9k s PHE 27 N -2.00 -0.49 0.09 1.61 -0.12 -1.26 -4.81 117.98 111.01 3b9k s PHE 27 Ca 0.00 0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 57.52 3b9k s PHE 27 Cb 0.00 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 3b9k s PHE 27 CO 0.00 -0.56 0.26 0.45 -0.05 0.00 0.00 175.22 175.32 3b9k s SER 28 N -1.71 6.39 0.06 1.98 0.15 -1.26 -4.99 113.70 114.32 3b9k s SER 28 Ca -0.03 0.35 0.27 0.00 0.70 0.00 0.00 55.95 57.25 3b9k s SER 28 Cb -0.01 -1.99 0.96 0.00 -1.71 0.00 0.00 66.02 63.27 3b9k s SER 28 CO -0.00 0.13 1.77 0.18 1.20 0.00 0.00 173.24 176.51 3b9k n LEU 29 N 0.17 0.32 0.21 3.45 4.77 -1.26 -1.77 117.00 122.89 3b9k n LEU 29 Ca -0.04 0.42 0.15 0.00 -0.03 0.00 0.00 56.01 56.51 3b9k n LEU 29 Cb 0.51 -0.40 0.58 0.00 -2.33 0.00 0.00 43.42 41.78 3b9k n LEU 29 CO 0.51 -0.03 0.93 0.40 -1.33 0.00 0.00 177.39 177.87 3b9k h ILE 30 N 0.00 0.00 0.00 -0.08 2.04 -1.92 -3.20 117.51 114.35 3b9k h ILE 30 Ca 0.00 -0.41 -0.29 0.00 1.00 0.00 0.00 64.86 65.15 3b9k h ILE 30 Cb 0.58 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 3b9k h ILE 30 CO 0.00 0.00 -2.15 -1.20 0.00 0.00 0.00 178.15 174.80 3b9k n SER 31 N -2.71 0.77 -4.08 1.72 7.64 -0.95 -4.75 113.62 111.26 3b9k n SER 31 Ca 0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.77 3b9k n SER 31 Cb 0.29 0.99 -0.11 0.00 -1.01 0.00 0.00 64.21 64.36 3b9k n SER 31 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3b9k s ASP 32 N -5.04 0.87 0.66 6.43 1.01 -0.73 -4.85 116.67 115.02 3b9k s ASP 32 Ca -0.08 -0.65 -0.10 0.00 0.71 0.00 0.00 52.55 52.42 3b9k s ASP 32 Cb 0.06 0.06 0.00 0.00 1.01 0.00 0.00 42.92 44.04 3b9k s ASP 32 CO 0.71 -0.27 1.03 -0.94 0.21 0.00 0.00 175.17 175.90 3b9k s SER 33 N -1.91 5.63 -0.12 0.27 1.04 -1.26 -4.04 113.70 113.30 3b9k s SER 33 Ca -0.05 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.46 3b9k s SER 33 Cb -0.06 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 64.10 3b9k s SER 33 CO -0.01 -1.18 -0.15 -0.69 0.98 0.00 0.00 173.24 172.19 3b9k s VAL 34 N -3.23 1.54 0.21 5.02 1.01 -0.13 -4.41 120.40 120.42 3b9k s VAL 34 Ca 0.56 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 62.00 3b9k s VAL 34 Cb -0.11 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3b9k s VAL 34 CO 0.50 0.45 -0.20 -1.00 0.00 0.00 0.00 175.10 174.85 3b9k s HIS 35 N 1.18 2.11 -0.13 5.22 3.76 0.20 -0.04 115.29 127.60 3b9k s HIS 35 Ca -0.02 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 3b9k s HIS 35 Cb -0.14 -1.00 0.01 0.00 1.11 0.00 0.00 32.58 32.56 3b9k s HIS 35 CO -0.05 0.51 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.54 3b9k s TRP 36 N -2.16 2.61 -0.03 1.40 0.52 0.04 -0.28 118.94 121.04 3b9k s TRP 36 Ca 0.22 -1.23 0.04 0.00 0.02 0.00 0.00 56.10 55.15 3b9k s TRP 36 Cb -0.06 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 3b9k s TRP 36 CO 0.10 -0.54 -0.16 0.08 0.02 0.00 0.00 176.95 176.45 3b9k s VAL 37 N 0.65 1.31 0.30 4.03 1.01 -0.55 -0.81 120.40 126.34 3b9k s VAL 37 Ca -0.11 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3b9k s VAL 37 Cb -0.16 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.04 3b9k s VAL 37 CO 0.02 0.38 -0.02 0.00 0.00 0.00 0.00 175.10 175.47 3b9k s ARG 38 N -0.07 1.61 -0.27 2.72 1.70 -0.45 0.51 118.95 124.70 3b9k s ARG 38 Ca -0.01 -1.84 -0.00 0.00 -0.47 0.00 0.00 55.73 53.41 3b9k s ARG 38 Cb -0.10 -1.12 0.15 0.00 -0.57 0.00 0.00 34.95 33.32 3b9k s ARG 38 CO 0.01 -0.03 0.44 -1.14 -1.08 0.00 0.00 175.30 173.50 3b9k s GLN 39 N -3.77 0.42 0.48 3.89 0.74 -0.35 -0.82 119.66 120.25 3b9k s GLN 39 Ca 0.32 0.49 -0.23 0.00 0.05 0.00 0.00 55.36 55.98 3b9k s GLN 39 Cb 0.05 -0.21 -0.07 0.00 1.10 0.00 0.00 33.01 33.88 3b9k s GLN 39 CO 0.13 -0.78 1.25 -2.14 -0.55 0.00 0.00 175.29 173.20 3b9k s PRO 40 N 2.61 3.60 -0.06 1.67 0.02 -1.26 -0.81 135.00 140.77 3b9k s PRO 40 Ca 0.13 1.99 -0.36 0.00 0.02 0.00 0.00 61.00 62.78 3b9k s PRO 40 Cb -0.14 -2.42 -0.14 0.00 0.02 0.00 0.00 34.50 31.81 3b9k s PRO 40 CO -0.22 -0.75 1.67 -0.35 -0.33 0.00 0.00 177.00 177.03 3b9k n PRO 41 N -0.55 1.66 -1.13 5.54 -0.04 -1.26 -1.08 135.00 138.14 3b9k n PRO 41 Ca 0.08 0.60 -0.01 0.00 -0.04 0.00 0.00 63.50 64.13 3b9k n PRO 41 Cb 0.46 -2.35 -0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3b9k n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3b9k n GLY 42 N 3.76 0.43 3.26 0.55 0.00 -1.26 -5.01 105.19 106.93 3b9k n GLY 42 Ca 0.22 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 3b9k n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b9k s LYS 43 N -2.28 1.52 0.83 1.61 -0.14 -0.24 -5.17 119.74 115.86 3b9k s LYS 43 Ca 0.00 -1.82 -0.12 0.00 -1.36 0.00 0.00 55.97 52.67 3b9k s LYS 43 Cb 0.00 0.31 0.09 0.00 -1.68 0.00 0.00 37.83 36.55 3b9k s LYS 43 CO 0.00 -0.54 1.17 0.20 -0.76 0.00 0.00 175.35 175.42 3b9k s GLY 44 N -3.27 1.59 0.36 -3.33 0.00 -1.26 -4.58 107.32 96.83 3b9k s GLY 44 Ca 0.39 -0.62 -0.25 0.00 0.00 0.00 0.00 44.72 44.24 3b9k s GLY 44 CO 0.20 -0.12 1.00 1.08 0.00 0.00 0.00 173.10 175.27 3b9k s LEU 45 N -5.68 4.24 -0.12 0.66 1.43 -1.26 -4.20 118.68 113.75 3b9k s LEU 45 Ca 0.62 1.95 -0.01 0.00 -1.03 0.00 0.00 54.13 55.66 3b9k s LEU 45 Cb -0.12 -4.10 0.03 0.00 0.03 0.00 0.00 46.19 42.04 3b9k s LEU 45 CO 0.50 -0.28 -0.02 -0.70 0.23 0.00 0.00 176.35 176.08 3b9k s GLU 46 N -2.28 0.94 -0.03 1.70 2.12 0.00 -4.99 118.70 116.17 3b9k s GLU 46 Ca 0.54 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.42 3b9k s GLU 46 Cb -0.20 -1.45 -0.06 0.00 0.26 0.00 0.00 34.13 32.68 3b9k s GLU 46 CO 0.26 -0.37 1.56 -0.46 -0.54 0.00 0.00 175.26 175.71 3b9k s TRP 47 N 1.85 2.35 -0.18 5.30 -0.00 -1.26 -1.34 118.94 125.65 3b9k s TRP 47 Ca 0.03 0.43 -0.18 0.00 -0.00 0.00 0.00 56.10 56.39 3b9k s TRP 47 Cb -0.14 -3.83 -0.14 0.00 -0.00 0.00 0.00 33.47 29.36 3b9k s TRP 47 CO -0.07 -3.34 0.13 0.52 -0.00 0.00 0.00 176.95 174.19 3b9k h MET 48 N 8.77 0.00 0.00 5.86 2.86 -1.35 -3.41 114.93 127.67 3b9k h MET 48 Ca -0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3b9k h MET 48 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3b9k h MET 48 CO 0.94 0.68 0.00 0.41 1.06 0.00 0.00 176.91 180.00 3b9k n GLY 49 N 1.51 -0.86 3.60 8.32 0.00 -1.22 -0.05 105.19 116.48 3b9k n GLY 49 Ca -0.23 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 3b9k n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b9k s GLY 50 N 0.00 -0.16 -0.26 -0.02 0.00 -0.23 -0.78 107.32 105.87 3b9k s GLY 50 Ca 0.00 2.20 -0.06 0.00 0.00 0.00 0.00 44.72 46.86 3b9k s GLY 50 CO 0.00 0.97 0.03 -1.50 0.00 0.00 0.00 173.10 172.60 3b9k s ILE 51 N -1.32 3.75 0.62 0.90 2.07 0.94 -1.57 121.20 126.59 3b9k s ILE 51 Ca 0.03 -0.58 -0.12 0.00 -1.41 0.00 0.00 60.65 58.57 3b9k s ILE 51 Cb -0.01 -2.84 -0.03 0.00 0.13 0.00 0.00 42.46 39.71 3b9k s ILE 51 CO -0.03 0.23 1.03 0.26 -1.91 0.00 0.00 174.94 174.53 3b9k s TRP 52 N 1.50 3.44 0.32 3.50 0.52 0.02 -0.95 118.94 127.27 3b9k s TRP 52 Ca 0.04 1.36 0.08 0.00 0.02 0.00 0.00 56.10 57.59 3b9k s TRP 52 Cb -0.16 -2.79 0.90 0.00 -1.15 0.00 0.00 33.47 30.27 3b9k s TRP 52 CO 0.00 -0.81 1.62 0.00 0.02 0.00 0.00 176.95 177.79 3b9k h ALA 53 N -0.21 1.54 0.00 0.98 0.00 -1.77 0.28 119.26 120.08 3b9k h ALA 53 Ca -0.44 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3b9k h ALA 53 Cb 1.20 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3b9k h ALA 53 CO 0.60 -0.59 0.00 -0.40 0.00 0.00 0.00 179.25 178.86 3b9k n ASP 54 N -5.25 0.00 0.00 0.00 5.68 -1.26 -4.63 116.55 111.09 3b9k n ASP 54 Ca 0.27 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3b9k n ASP 54 Cb 0.86 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 3b9k n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3b9k n GLY 55 N 0.47 0.14 3.89 6.12 0.00 0.09 -5.07 105.19 110.83 3b9k n GLY 55 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3b9k n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b9k s SER 56 N -2.17 6.48 0.14 1.61 1.04 -1.26 -4.82 113.70 114.73 3b9k s SER 56 Ca 0.00 0.95 0.08 0.00 0.48 0.00 0.00 55.95 57.47 3b9k s SER 56 Cb 0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 3b9k s SER 56 CO 0.00 -0.33 -0.11 0.42 0.98 0.00 0.00 173.24 174.20 3b9k s THR 57 N -2.28 3.21 0.02 2.02 -4.23 -1.26 -0.80 115.64 112.32 3b9k s THR 57 Ca 0.48 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 3b9k s THR 57 Cb -0.10 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 3b9k s THR 57 CO 0.31 0.01 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.76 3b9k s GLU 58 N -2.48 0.30 0.06 3.99 0.41 -0.61 -5.00 118.70 115.36 3b9k s GLU 58 Ca 0.22 -0.55 0.02 0.00 -0.41 0.00 0.00 54.97 54.26 3b9k s GLU 58 Cb -0.10 0.04 -0.03 0.00 -1.78 0.00 0.00 34.13 32.26 3b9k s GLU 58 CO 0.14 -0.03 -0.08 0.71 -0.49 0.00 0.00 175.26 175.51 3b9k s TYR 59 N -1.26 0.77 0.17 1.61 2.02 -1.26 -1.06 117.35 118.34 3b9k s TYR 59 Ca -0.13 -0.57 -0.31 0.00 -0.37 0.00 0.00 57.07 55.69 3b9k s TYR 59 Cb -0.09 -0.45 -0.09 0.00 -0.40 0.00 0.00 41.96 40.93 3b9k s TYR 59 CO -0.01 -0.08 1.49 1.21 -1.57 0.00 0.00 175.55 176.59 3b9k s ASN 60 N -1.86 6.67 0.24 2.29 3.84 0.92 -4.86 114.94 122.18 3b9k s ASN 60 Ca -0.05 2.54 -0.15 0.00 0.21 0.00 0.00 52.86 55.41 3b9k s ASN 60 Cb -0.07 -2.60 0.29 0.00 -0.55 0.00 0.00 41.25 38.32 3b9k s ASN 60 CO -0.00 -0.75 1.56 -1.28 -2.79 0.00 0.00 177.10 173.84 3b9k h SER 61 N 6.41 -1.26 0.34 -4.21 0.87 -1.93 -0.61 113.55 113.16 3b9k h SER 61 Ca -0.43 0.30 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 3b9k h SER 61 Cb 1.21 0.70 -0.01 0.00 -0.44 0.00 0.00 62.40 63.86 3b9k h SER 61 CO 0.87 -0.30 -0.17 0.00 -0.53 0.00 0.00 176.83 176.70 3b9k h ALA 62 N 1.51 1.40 0.00 6.23 0.00 -1.96 -3.24 119.26 123.20 3b9k h ALA 62 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3b9k h ALA 62 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3b9k h ALA 62 CO -0.96 0.22 -1.44 1.28 0.00 0.00 0.00 179.25 178.34 3b9k n LEU 63 N -3.87 0.18 -0.27 0.00 4.77 -0.69 -4.74 117.00 112.38 3b9k n LEU 63 Ca -0.02 -0.13 0.23 0.00 -0.03 0.00 0.00 56.01 56.06 3b9k n LEU 63 Cb 0.27 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.78 3b9k n LEU 63 CO 0.33 0.04 0.81 1.17 -1.33 0.00 0.00 177.39 178.41 3b9k n LYS 64 N -1.86 -0.05 0.09 3.23 4.81 -0.32 -1.13 118.16 122.93 3b9k n LYS 64 Ca -0.01 1.15 0.13 0.00 -0.87 0.00 0.00 58.31 58.70 3b9k n LYS 64 Cb 0.36 -2.00 0.42 0.00 0.02 0.00 0.00 35.03 33.83 3b9k n LYS 64 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3b9k n SER 65 N -4.92 0.71 -0.28 3.14 3.41 -1.26 -3.32 113.62 111.10 3b9k n SER 65 Ca 0.28 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.45 3b9k n SER 65 Cb 0.94 -0.71 0.06 0.00 -0.26 0.00 0.00 64.21 64.25 3b9k n SER 65 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3b9k n ARG 66 N -2.16 2.38 -4.75 4.33 1.85 -0.28 -5.02 116.66 113.01 3b9k n ARG 66 Ca 0.06 -1.59 -0.26 0.00 -1.00 0.00 0.00 57.85 55.06 3b9k n ARG 66 Cb 0.42 -1.12 -0.16 0.00 -1.05 0.00 0.00 32.46 30.55 3b9k n ARG 66 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3b9k s LEU 67 N -0.90 1.81 -0.04 2.89 2.96 -1.13 -1.01 118.68 123.25 3b9k s LEU 67 Ca 0.10 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3b9k s LEU 67 Cb 0.05 -0.94 0.02 0.00 0.50 0.00 0.00 46.19 45.82 3b9k s LEU 67 CO 0.07 0.10 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.19 3b9k s SER 68 N 0.36 1.08 -0.06 3.68 1.04 -0.47 -4.87 113.70 114.46 3b9k s SER 68 Ca -0.10 -0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.22 3b9k s SER 68 Cb -0.14 -0.46 -0.01 0.00 0.10 0.00 0.00 66.02 65.51 3b9k s SER 68 CO 0.04 -0.01 -0.24 -0.63 0.98 0.00 0.00 173.24 173.38 3b9k s ILE 69 N 0.67 1.96 0.36 -1.02 1.01 -1.26 -1.67 121.20 121.25 3b9k s ILE 69 Ca -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 3b9k s ILE 69 Cb -0.13 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.68 3b9k s ILE 69 CO 0.01 0.55 0.48 -0.94 0.00 0.00 0.00 174.94 175.04 3b9k s SER 70 N -0.06 1.07 0.22 3.58 1.04 -0.73 -4.85 113.70 113.97 3b9k s SER 70 Ca -0.06 -1.55 -0.09 0.00 0.48 0.00 0.00 55.95 54.73 3b9k s SER 70 Cb -0.14 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3b9k s SER 70 CO 0.04 -1.32 0.36 0.00 0.98 0.00 0.00 173.24 173.30 3b9k s ARG 71 N -2.93 1.40 -0.21 4.02 1.70 -1.26 -0.49 118.95 121.18 3b9k s ARG 71 Ca 0.31 -1.32 -0.02 0.00 -0.47 0.00 0.00 55.73 54.23 3b9k s ARG 71 Cb -0.01 0.41 0.06 0.00 -0.57 0.00 0.00 34.95 34.84 3b9k s ARG 71 CO 0.22 -0.55 0.01 0.34 -1.08 0.00 0.00 175.30 174.25 3b9k s ASP 72 N -3.04 3.20 0.05 -2.89 -1.08 -0.34 -4.98 116.67 107.59 3b9k s ASP 72 Ca 0.25 -0.94 -0.15 0.00 -0.52 0.00 0.00 52.55 51.19 3b9k s ASP 72 Cb 0.02 -0.76 -0.31 0.00 -1.46 0.00 0.00 42.92 40.41 3b9k s ASP 72 CO 0.08 -0.29 1.07 0.74 0.52 0.00 0.00 175.17 177.29 3b9k h THR 73 N 6.56 1.28 -0.36 1.71 2.02 -1.97 -1.78 112.91 120.37 3b9k h THR 73 Ca -0.17 -2.52 0.07 0.00 0.77 0.00 0.00 66.41 64.57 3b9k h THR 73 Cb 1.10 2.79 -0.09 0.00 -1.74 0.00 0.00 68.15 70.22 3b9k h THR 73 CO 0.36 0.76 -0.34 0.77 0.37 0.00 0.00 175.52 177.44 3b9k h SER 74 N 0.23 -1.13 -0.21 4.18 4.64 -1.96 -2.65 113.55 116.66 3b9k h SER 74 Ca -0.21 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3b9k h SER 74 Cb 1.98 0.51 0.00 0.00 -0.31 0.00 0.00 62.40 64.58 3b9k h SER 74 CO 0.25 -0.34 0.00 0.29 -0.87 0.00 0.00 176.83 176.16 3b9k n LYS 75 N -5.42 1.52 -3.74 4.77 4.76 -1.16 -4.92 118.16 113.97 3b9k n LYS 75 Ca 0.00 -0.80 -0.22 0.00 -2.87 0.00 0.00 58.31 54.42 3b9k n LYS 75 Cb 0.34 -1.20 0.03 0.00 -1.84 0.00 0.00 35.03 32.35 3b9k n LYS 75 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3b9k n SER 76 N 0.13 -1.28 -4.02 4.39 7.64 -0.91 -4.85 113.62 114.73 3b9k n SER 76 Ca 0.09 -0.84 -0.18 0.00 1.01 0.00 0.00 58.87 58.96 3b9k n SER 76 Cb 0.20 -3.94 -0.14 0.00 -1.01 0.00 0.00 64.21 59.31 3b9k n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3b9k s GLN 77 N -6.08 0.65 0.21 1.43 -0.21 -0.72 -1.22 119.66 113.73 3b9k s GLN 77 Ca 0.04 -0.35 0.10 0.00 0.02 0.00 0.00 55.36 55.17 3b9k s GLN 77 Cb -0.02 -0.62 -0.04 0.00 1.00 0.00 0.00 33.01 33.33 3b9k s GLN 77 CO 0.82 0.17 -0.13 0.20 -2.12 0.00 0.00 175.29 174.22 3b9k s GLY 78 N -0.36 1.74 -0.02 3.09 0.00 -0.33 -1.19 107.32 110.25 3b9k s GLY 78 Ca 0.02 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.14 3b9k s GLY 78 CO -0.00 -1.65 -0.04 -1.36 0.00 0.00 0.00 173.10 170.04 3b9k s PHE 79 N -1.93 0.49 -0.11 1.90 0.08 0.36 -0.63 117.98 118.15 3b9k s PHE 79 Ca 0.26 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.23 3b9k s PHE 79 Cb -0.08 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.97 3b9k s PHE 79 CO 0.15 -0.07 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.86 3b9k s LEU 80 N 0.30 2.50 -0.08 -0.37 0.20 0.11 -1.77 118.68 119.56 3b9k s LEU 80 Ca -0.03 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.43 3b9k s LEU 80 Cb -0.07 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.17 3b9k s LEU 80 CO -0.00 0.19 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.55 3b9k s LYS 81 N 0.17 2.17 0.01 1.98 -0.14 -0.67 -1.06 119.74 122.21 3b9k s LYS 81 Ca -0.10 -0.57 0.03 0.00 -1.36 0.00 0.00 55.97 53.98 3b9k s LYS 81 Cb -0.16 -1.75 -0.01 0.00 -1.68 0.00 0.00 37.83 34.23 3b9k s LYS 81 CO 0.06 0.05 -0.10 1.41 -0.76 0.00 0.00 175.35 176.01 3b9k s MET 82 N 0.65 0.73 0.41 1.68 -2.45 0.16 -1.37 119.30 119.11 3b9k s MET 82 Ca -0.14 -0.49 0.04 0.00 -1.25 0.00 0.00 55.69 53.85 3b9k s MET 82 Cb -0.16 -0.69 -0.02 0.00 1.25 0.00 0.00 34.83 35.22 3b9k s MET 82 CO 0.04 0.18 0.15 0.27 1.05 0.00 0.00 175.02 176.71 3b9k n ASN 82 N 2.42 1.14 -3.68 1.11 0.23 -0.18 0.86 115.26 117.15 3b9k n ASN 82 Ca -0.16 -3.18 -0.23 0.00 -0.53 0.00 0.00 54.58 50.48 3b9k n ASN 82 Cb 0.56 1.07 0.05 0.00 -2.08 0.00 0.00 39.78 39.38 3b9k n ASN 82 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3b9k n SER 82 N -1.53 -3.22 -4.69 0.53 7.64 -1.26 -4.81 113.62 106.27 3b9k n SER 82 Ca -0.05 -0.71 -0.42 0.00 1.01 0.00 0.00 58.87 58.69 3b9k n SER 82 Cb 0.61 -4.43 -0.03 0.00 -1.01 0.00 0.00 64.21 59.35 3b9k n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3b9k s LEU 82 N -6.88 4.35 0.48 -3.43 1.43 -1.26 -4.99 118.68 108.39 3b9k s LEU 82 Ca 0.27 2.40 0.06 0.00 -1.03 0.00 0.00 54.13 55.84 3b9k s LEU 82 Cb -0.13 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.56 3b9k s LEU 82 CO 0.78 -0.84 0.66 -1.10 0.23 0.00 0.00 176.35 176.09 3b9k s GLN 83 N 2.46 2.64 0.40 1.70 1.11 -1.26 -4.01 119.66 122.71 3b9k s GLN 83 Ca 0.71 -1.20 0.14 0.00 0.01 0.00 0.00 55.36 55.02 3b9k s GLN 83 Cb -0.38 -2.67 0.83 0.00 -1.01 0.00 0.00 33.01 29.78 3b9k s GLN 83 CO 0.31 -0.50 1.88 1.79 0.01 0.00 0.00 175.29 178.78 3b9k h THR 84 N 0.41 1.18 -0.00 -0.19 1.35 -1.97 -2.96 112.91 110.72 3b9k h THR 84 Ca -0.39 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 3b9k h THR 84 Cb 1.28 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3b9k h THR 84 CO 0.46 0.30 0.00 -0.90 -0.25 0.00 0.00 175.52 175.13 3b9k n ASP 85 N -4.11 0.43 0.00 5.36 5.68 -1.26 -2.31 116.55 120.33 3b9k n ASP 85 Ca -0.02 -1.15 0.11 0.00 -0.50 0.00 0.00 54.79 53.23 3b9k n ASP 85 Cb 0.36 -0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.90 3b9k n ASP 85 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3b9k n ASP 86 N -0.66 0.00 -4.66 -1.12 8.00 -1.12 -4.76 116.55 112.23 3b9k n ASP 86 Ca 0.22 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 3b9k n ASP 86 Cb 0.18 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3b9k n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3b9k s THR 87 N -2.53 3.14 -0.01 -3.53 2.01 -0.98 -4.80 115.64 108.94 3b9k s THR 87 Ca 0.22 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 3b9k s THR 87 Cb 0.15 -3.11 0.11 0.00 0.01 0.00 0.00 72.50 69.66 3b9k s THR 87 CO 0.33 -0.02 1.15 0.00 -0.69 0.00 0.00 174.62 175.40 3b9k s ALA 88 N 4.39 -2.03 -0.18 7.40 0.00 -0.35 -4.34 121.76 126.65 3b9k s ALA 88 Ca 0.85 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.31 3b9k s ALA 88 Cb -0.41 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3b9k s ALA 88 CO 0.39 -0.92 1.05 0.42 0.00 0.00 0.00 175.76 176.70 3b9k s ILE 89 N -2.70 4.66 -0.27 0.00 -1.09 0.01 -0.85 121.20 120.97 3b9k s ILE 89 Ca 0.12 1.98 -0.10 0.00 -2.23 0.00 0.00 60.65 60.42 3b9k s ILE 89 Cb 0.02 -4.28 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 3b9k s ILE 89 CO -0.03 -0.12 0.16 -0.31 -1.23 0.00 0.00 174.94 173.42 3b9k s TYR 90 N 2.84 3.21 0.17 3.97 1.51 -0.63 -1.21 117.35 127.21 3b9k s TYR 90 Ca 0.46 0.04 -0.01 0.00 -1.01 0.00 0.00 57.07 56.55 3b9k s TYR 90 Cb -0.17 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 3b9k s TYR 90 CO 0.11 -0.16 0.36 -0.06 -1.11 0.00 0.00 175.55 174.68 3b9k s PHE 91 N 1.62 3.49 0.01 2.71 0.08 0.18 -1.58 117.98 124.49 3b9k s PHE 91 Ca 0.07 0.36 0.06 0.00 0.12 0.00 0.00 56.93 57.53 3b9k s PHE 91 Cb -0.15 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 3b9k s PHE 91 CO 0.09 0.43 -0.16 0.00 -0.10 0.00 0.00 175.22 175.48 3b9k s THR 93 N -0.88 0.00 0.19 0.00 -1.32 0.61 -0.96 115.64 113.28 3b9k s THR 93 Ca 0.14 -1.81 -0.13 0.00 -1.21 0.00 0.00 61.69 58.68 3b9k s THR 93 Cb -0.11 -2.53 0.01 0.00 -1.51 0.00 0.00 72.50 68.36 3b9k s THR 93 CO 0.04 0.00 0.42 -0.55 -2.21 0.00 0.00 174.62 172.32 3b9k s SER 94 N -3.26 -0.11 -0.62 8.08 0.15 -1.17 0.62 113.70 117.40 3b9k s SER 94 Ca 0.35 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 56.31 3b9k s SER 94 Cb 0.02 0.52 0.16 0.00 -1.71 0.00 0.00 66.02 65.01 3b9k s SER 94 CO 0.21 -1.00 0.41 0.54 1.20 0.00 0.00 173.24 174.59 3b9k s ASN 95 N -2.93 4.84 -0.06 5.45 4.22 -1.26 -2.27 114.94 122.93 3b9k s ASN 95 Ca 0.14 -3.19 -0.02 0.00 -2.14 0.00 0.00 52.86 47.65 3b9k s ASN 95 Cb 0.01 -1.73 -0.01 0.00 1.28 0.00 0.00 41.25 40.80 3b9k s ASN 95 CO 0.00 -0.24 0.11 -0.09 -2.04 0.00 0.00 177.10 174.84 3b9k h ARG 96 N 6.41 -0.07 -0.07 3.55 2.43 -1.93 -3.40 114.38 121.30 3b9k h ARG 96 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3b9k h ARG 96 Cb 0.88 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3b9k h ARG 96 CO 0.72 -0.05 0.00 0.39 -1.51 0.00 0.00 179.97 179.52 3b9k n GLU 97 N -3.92 1.34 -3.18 0.20 1.02 -1.26 -4.98 120.64 109.86 3b9k n GLU 97 Ca -0.01 -1.52 -0.10 0.00 -0.02 0.00 0.00 57.16 55.51 3b9k n GLU 97 Cb 0.03 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 3b9k n GLU 97 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3b9k n SER 98 N 0.89 -0.58 -0.55 1.62 3.41 -1.26 -5.06 113.62 112.09 3b9k n SER 98 Ca 0.10 -2.22 0.12 0.00 -0.26 0.00 0.00 58.87 56.61 3b9k n SER 98 Cb 0.40 1.20 0.13 0.00 -0.26 0.00 0.00 64.21 65.69 3b9k n SER 98 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3b9k n TYR 99 N -0.36 0.00 -2.87 7.33 4.01 -1.26 -4.71 117.16 119.30 3b9k n TYR 99 Ca 0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.58 3b9k n TYR 99 Cb 0.35 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.39 3b9k n TYR 99 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 3b9k s TYR 100 N -2.34 2.66 -0.34 -0.72 -0.85 -1.26 -4.98 117.35 109.51 3b9k s TYR 100 Ca 0.23 -0.29 -0.26 0.00 -0.52 0.00 0.00 57.07 56.23 3b9k s TYR 100 Cb 0.19 -2.52 0.01 0.00 0.38 0.00 0.00 41.96 40.02 3b9k s TYR 100 CO 0.48 -0.69 0.93 -0.06 -1.52 0.00 0.00 175.55 174.70 3b9k s PHE 100 N -2.55 3.12 0.00 -3.49 0.08 -1.26 -4.34 117.98 109.54 3b9k s PHE 100 Ca 0.57 0.88 0.00 0.00 0.12 0.00 0.00 56.93 58.50 3b9k s PHE 100 Cb -0.10 -3.57 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 3b9k s PHE 100 CO 0.36 -0.76 0.02 -0.40 -0.10 0.00 0.00 175.22 174.34 3b9k n ASP 101 N 6.68 0.03 -4.02 1.36 5.75 -0.96 -4.99 116.55 120.40 3b9k n ASP 101 Ca 0.08 -0.38 -0.19 0.00 -0.01 0.00 0.00 54.79 54.28 3b9k n ASP 101 Cb 0.48 0.67 -0.15 0.00 -1.03 0.00 0.00 41.12 41.09 3b9k n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3b9k s TYR 102 N -0.67 0.86 0.05 2.11 2.02 -1.25 -5.01 117.35 115.46 3b9k s TYR 102 Ca 0.00 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 3b9k s TYR 102 Cb 0.00 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 3b9k s TYR 102 CO 0.00 -0.03 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.32 3b9k s TRP 103 N -0.15 0.60 0.00 2.71 0.52 -1.26 -3.02 118.94 118.34 3b9k s TRP 103 Ca 0.03 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.45 3b9k s TRP 103 Cb -0.04 -0.38 0.00 0.00 -1.15 0.00 0.00 33.47 31.90 3b9k s TRP 103 CO -0.00 -0.17 0.00 0.41 0.02 0.00 0.00 176.95 177.21 3b9k n GLY 104 N 0.91 -1.47 0.00 0.98 0.00 -0.13 -4.46 105.19 101.03 3b9k n GLY 104 Ca -0.19 -1.61 0.10 0.00 0.00 0.00 0.00 46.02 44.32 3b9k n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b9k n GLN 105 N -1.11 0.52 0.00 1.61 10.64 -1.26 -4.87 117.38 122.90 3b9k n GLN 105 Ca 0.00 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 3b9k n GLN 105 Cb 0.00 -1.46 0.00 0.00 -0.86 0.00 0.00 30.24 27.92 3b9k n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3b9k n GLY 106 N 1.42 0.68 2.93 2.61 0.00 -1.26 -5.03 105.19 106.54 3b9k n GLY 106 Ca 0.01 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 3b9k n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3b9k s THR 107 N -2.27 0.94 0.19 2.61 -1.32 -0.62 -4.92 115.64 110.25 3b9k s THR 107 Ca 0.00 -0.30 -0.30 0.00 -1.21 0.00 0.00 61.69 59.88 3b9k s THR 107 Cb 0.00 -0.93 -0.08 0.00 -1.51 0.00 0.00 72.50 69.98 3b9k s THR 107 CO 0.00 0.33 1.15 -0.32 -2.21 0.00 0.00 174.62 173.57 3b9k s MET 108 N 1.26 4.55 -0.06 7.08 0.00 -1.26 -1.60 119.30 129.26 3b9k s MET 108 Ca -0.04 1.80 0.02 0.00 0.00 0.00 0.00 55.69 57.47 3b9k s MET 108 Cb -0.14 -3.26 0.02 0.00 0.00 0.00 0.00 34.83 31.45 3b9k s MET 108 CO -0.03 0.00 -0.10 0.08 0.00 0.00 0.00 175.02 174.98 3b9k s VAL 109 N -0.20 0.95 -0.17 10.11 1.01 -0.03 -4.20 120.40 127.87 3b9k s VAL 109 Ca 0.51 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 3b9k s VAL 109 Cb -0.31 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3b9k s VAL 109 CO 0.36 0.32 -0.09 -0.89 0.00 0.00 0.00 175.10 174.79 3b9k s THR 110 N 0.78 3.16 -0.43 3.92 2.01 -0.96 -1.22 115.64 122.90 3b9k s THR 110 Ca -0.13 -0.59 -0.14 0.00 0.31 0.00 0.00 61.69 61.14 3b9k s THR 110 Cb -0.15 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 70.03 3b9k s THR 110 CO 0.02 0.48 0.33 -0.69 -0.69 0.00 0.00 174.62 174.07 3b9k s VAL 111 N 0.90 5.08 -0.12 3.82 1.01 -1.26 -1.74 120.40 128.10 3b9k s VAL 111 Ca -0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 3b9k s VAL 111 Cb -0.15 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.34 3b9k s VAL 111 CO 0.00 -0.44 0.54 -0.55 0.00 0.00 0.00 175.10 174.66 3b9k s SER 112 N 2.11 -0.52 -0.20 3.32 0.15 -1.00 -4.54 113.70 113.02 3b9k s SER 112 Ca 0.04 0.79 0.14 0.00 0.70 0.00 0.00 55.95 57.61 3b9k s SER 112 Cb -0.22 0.79 0.75 0.00 -1.71 0.00 0.00 66.02 65.63 3b9k s SER 112 CO 0.07 -0.37 1.64 -1.54 1.20 0.00 0.00 173.24 174.25 3b9k n SER 113 N 1.91 5.22 -4.84 5.45 3.41 -1.26 -4.05 113.62 119.45 3b9k n SER 113 Ca -0.17 -2.77 -0.33 0.00 -0.26 0.00 0.00 58.87 55.34 3b9k n SER 113 Cb 0.56 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 3b9k n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b9k s ALA 114 N -2.46 3.31 0.18 7.33 0.00 -1.26 -5.07 121.76 123.79 3b9k s ALA 114 Ca 0.50 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 3b9k s ALA 114 Cb 0.37 -2.81 -0.06 0.00 0.00 0.00 0.00 23.12 20.62 3b9k s ALA 114 CO 0.17 0.31 0.43 -0.65 0.00 0.00 0.00 175.76 176.02 3b9k s GLN 115 N -2.84 3.65 -0.49 0.00 -1.52 -1.26 -5.00 119.66 112.20 3b9k s GLN 115 Ca 0.53 -0.02 -0.30 0.00 -1.95 0.00 0.00 55.36 53.61 3b9k s GLN 115 Cb -0.11 -2.79 -0.11 0.00 -0.22 0.00 0.00 33.01 29.78 3b9k s GLN 115 CO 0.18 0.41 2.36 2.41 -0.25 0.00 0.00 175.29 180.40 3b9k n THR 116 N -0.11 0.08 -4.25 -0.19 -1.04 -1.26 -4.71 114.28 102.80 3b9k n THR 116 Ca -0.02 -0.43 -0.33 0.00 -2.04 0.00 0.00 64.05 61.23 3b9k n THR 116 Cb 0.52 -1.97 -0.16 0.00 -1.82 0.00 0.00 70.33 66.90 3b9k n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3b9k s THR 117 N 9.45 2.21 0.68 12.58 2.01 0.27 -4.96 115.64 137.89 3b9k s THR 117 Ca 1.09 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 3b9k s THR 117 Cb -0.62 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 69.97 3b9k s THR 117 CO 0.39 0.53 1.20 0.00 -0.69 0.00 0.00 174.62 176.05 3b9k s ALA 118 N 1.17 2.29 0.69 7.40 0.00 -1.26 -1.15 121.76 130.90 3b9k s ALA 118 Ca 0.02 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 3b9k s ALA 118 Cb -0.14 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3b9k s ALA 118 CO -0.09 -1.59 1.07 -1.25 0.00 0.00 0.00 175.76 173.90 3b9k s PRO 119 N -3.75 3.01 -0.21 0.00 0.04 -1.26 -4.48 135.00 128.35 3b9k s PRO 119 Ca 0.75 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 3b9k s PRO 119 Cb -0.29 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3b9k s PRO 119 CO 0.41 -0.96 -0.10 -1.12 0.04 0.00 0.00 177.00 175.27 3b9k s SER 120 N -4.19 3.91 -0.21 6.66 0.01 -0.82 -4.97 113.70 114.09 3b9k s SER 120 Ca 0.57 -0.50 -0.12 0.00 1.31 0.00 0.00 55.95 57.21 3b9k s SER 120 Cb -0.12 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.42 3b9k s SER 120 CO 0.53 -0.02 0.24 -0.69 0.41 0.00 0.00 173.24 173.71 3b9k s VAL 121 N 1.41 5.32 -0.17 3.43 1.01 -1.26 -1.12 120.40 129.02 3b9k s VAL 121 Ca 0.05 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3b9k s VAL 121 Cb -0.14 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.70 3b9k s VAL 121 CO -0.07 0.35 -0.11 -0.31 0.00 0.00 0.00 175.10 174.97 3b9k s TYR 122 N 0.88 2.11 0.80 5.22 2.02 0.41 -4.96 117.35 123.83 3b9k s TYR 122 Ca 0.12 -1.28 -0.14 0.00 -0.37 0.00 0.00 57.07 55.40 3b9k s TYR 122 Cb -0.13 -1.53 0.06 0.00 -0.40 0.00 0.00 41.96 39.96 3b9k s TYR 122 CO 0.04 -0.67 1.06 -0.35 -1.57 0.00 0.00 175.55 174.06 3b9k n PRO 123 N 4.78 0.20 -3.83 -1.71 -0.04 -1.26 -1.00 135.00 132.13 3b9k n PRO 123 Ca -0.15 0.14 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 3b9k n PRO 123 Cb 0.48 -2.32 -0.15 0.00 -0.04 0.00 0.00 33.50 31.47 3b9k n PRO 123 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3b9k s LEU 124 N -4.51 2.66 0.21 1.53 1.43 0.13 -4.76 118.68 115.36 3b9k s LEU 124 Ca 0.72 -1.54 0.09 0.00 -1.03 0.00 0.00 54.13 52.37 3b9k s LEU 124 Cb -0.30 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 3b9k s LEU 124 CO 0.52 -0.36 -0.18 0.00 0.23 0.00 0.00 176.35 176.57 3b9k s ALA 125 N 1.46 2.24 0.99 4.21 0.00 -1.26 -1.02 121.76 128.39 3b9k s ALA 125 Ca 0.05 -1.67 -0.14 0.00 0.00 0.00 0.00 51.96 50.20 3b9k s ALA 125 Cb -0.18 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.82 3b9k s ALA 125 CO -0.16 0.20 0.34 -2.30 0.00 0.00 0.00 175.76 173.84 3b9k n PRO 126 N -0.21 -0.63 0.00 0.00 -0.02 -1.26 -4.98 135.00 127.90 3b9k n PRO 126 Ca -0.09 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 3b9k n PRO 126 Cb 0.59 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3b9k n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b9k n GLY 127 N 1.59 0.40 2.47 -1.23 0.00 -1.26 -4.96 105.19 102.21 3b9k n GLY 127 Ca 0.05 0.41 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 3b9k n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b9k n GLY 129 N -0.50 -0.50 3.86 0.00 0.00 -1.26 -5.00 105.19 101.79 3b9k n GLY 129 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3b9k n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3b9k s ASP 130 N -2.05 6.71 -0.43 1.61 -4.77 0.01 -5.06 116.67 112.70 3b9k s ASP 130 Ca 0.00 1.09 -0.24 0.00 -3.30 0.00 0.00 52.55 50.11 3b9k s ASP 130 Cb -0.00 -2.30 0.02 0.00 -1.09 0.00 0.00 42.92 39.56 3b9k s ASP 130 CO 0.00 -0.12 0.82 -0.89 0.70 0.00 0.00 175.17 175.69 3b9k s THR 133 N -1.86 4.63 0.43 2.11 2.01 -1.26 -4.88 115.64 116.82 3b9k s THR 133 Ca 0.50 0.65 -0.24 0.00 0.31 0.00 0.00 61.69 62.90 3b9k s THR 133 Cb -0.11 -4.32 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 3b9k s THR 133 CO 0.19 -0.67 0.99 0.41 -0.69 0.00 0.00 174.62 174.86 3b9k n THR 134 N 6.11 2.48 -3.00 -0.82 -1.04 -1.26 -5.03 114.28 111.72 3b9k n THR 134 Ca 0.04 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.36 3b9k n THR 134 Cb 0.48 -1.13 0.03 0.00 -1.82 0.00 0.00 70.33 67.89 3b9k n THR 134 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3b9k s SER 135 N -0.77 5.44 0.31 8.00 1.04 -1.26 -5.02 113.70 121.44 3b9k s SER 135 Ca 0.64 -0.55 0.08 0.00 0.48 0.00 0.00 55.95 56.60 3b9k s SER 135 Cb -0.55 -0.34 0.89 0.00 0.10 0.00 0.00 66.02 66.13 3b9k s SER 135 CO 0.56 -0.99 1.63 0.77 0.98 0.00 0.00 173.24 176.20 3b9k h SER 136 N 0.45 0.12 -3.76 7.02 4.64 -1.98 -3.36 113.55 116.68 3b9k h SER 136 Ca -0.37 0.21 -0.68 0.00 -0.47 0.00 0.00 61.79 60.49 3b9k h SER 136 Cb 1.28 0.26 -0.19 0.00 -0.31 0.00 0.00 62.40 63.44 3b9k h SER 136 CO 0.44 -0.21 -0.78 0.42 -0.87 0.00 0.00 176.83 175.83 3b9k s THR 137 N -5.82 3.01 0.06 2.95 -4.23 -1.26 -4.60 115.64 105.74 3b9k s THR 137 Ca -0.11 -1.28 0.08 0.00 -1.18 0.00 0.00 61.69 59.19 3b9k s THR 137 Cb 0.28 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 3b9k s THR 137 CO 0.78 0.21 -0.19 -0.69 -0.54 0.00 0.00 174.62 174.18 3b9k s VAL 138 N -1.07 2.71 -0.15 2.29 1.01 -0.98 -4.99 120.40 119.21 3b9k s VAL 138 Ca 0.17 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 3b9k s VAL 138 Cb -0.11 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3b9k s VAL 138 CO 0.09 0.30 0.10 -0.89 0.00 0.00 0.00 175.10 174.70 3b9k s THR 139 N -0.95 5.12 0.48 3.92 2.01 -1.26 -2.70 115.64 122.27 3b9k s THR 139 Ca 0.15 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.24 3b9k s THR 139 Cb -0.10 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 3b9k s THR 139 CO 0.06 0.53 0.03 -0.76 -0.69 0.00 0.00 174.62 173.79 3b9k s LEU 140 N -0.28 2.24 0.32 4.42 1.43 -0.01 -4.56 118.68 122.25 3b9k s LEU 140 Ca 0.10 -1.65 -0.19 0.00 -1.03 0.00 0.00 54.13 51.36 3b9k s LEU 140 Cb -0.12 -0.59 0.04 0.00 0.03 0.00 0.00 46.19 45.55 3b9k s LEU 140 CO 0.01 -0.86 0.77 -0.83 0.23 0.00 0.00 176.35 175.67 3b9k s GLY 141 N -3.81 0.11 -0.08 -3.19 0.00 -0.19 -1.87 107.32 98.30 3b9k s GLY 141 Ca 0.11 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.37 3b9k s GLY 141 CO 0.06 -0.11 -0.16 0.00 0.00 0.00 0.00 173.10 172.90 3b9k s LEU 143 N 0.58 5.70 -0.44 0.00 2.96 -0.17 -1.39 118.68 125.91 3b9k s LEU 143 Ca -0.16 -1.41 -0.20 0.00 -0.22 0.00 0.00 54.13 52.14 3b9k s LEU 143 Cb -0.16 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 44.33 3b9k s LEU 143 CO 0.05 -0.76 0.58 -0.69 -1.32 0.00 0.00 176.35 174.22 3b9k s VAL 144 N 1.79 4.90 -0.02 1.68 1.01 -0.13 -0.44 120.40 129.19 3b9k s VAL 144 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.03 3b9k s VAL 144 Cb -0.25 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 3b9k s VAL 144 CO 0.06 -0.56 -0.19 -0.75 0.00 0.00 0.00 175.10 173.66 3b9k s LYS 145 N 2.61 1.64 -0.10 2.72 2.20 -0.27 -0.47 119.74 128.08 3b9k s LYS 145 Ca 0.19 -0.69 -0.00 0.00 -0.36 0.00 0.00 55.97 55.11 3b9k s LYS 145 Cb -0.15 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 34.62 3b9k s LYS 145 CO 0.17 0.39 0.09 0.41 -0.36 0.00 0.00 175.35 176.04 3b9k n GLY 146 N 2.71 0.67 3.54 5.54 0.00 -0.60 -1.94 105.19 115.09 3b9k n GLY 146 Ca -0.16 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 3b9k n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3b9k s TYR 147 N -3.03 2.40 -0.29 1.61 1.13 -0.67 -4.59 117.35 113.92 3b9k s TYR 147 Ca 0.03 -0.44 -0.21 0.00 -1.41 0.00 0.00 57.07 55.04 3b9k s TYR 147 Cb -0.01 -1.29 0.13 0.00 -1.10 0.00 0.00 41.96 39.69 3b9k s TYR 147 CO 0.06 0.61 1.01 0.12 -2.51 0.00 0.00 175.55 174.83 3b9k s PHE 148 N -2.56 -0.53 0.44 -3.49 5.36 -0.30 0.38 117.98 117.27 3b9k s PHE 148 Ca 0.32 1.16 -0.01 0.00 -0.96 0.00 0.00 56.93 57.44 3b9k s PHE 148 Cb -0.00 0.37 0.09 0.00 -0.34 0.00 0.00 43.02 43.14 3b9k s PHE 148 CO 0.17 -0.26 0.60 -0.35 -1.46 0.00 0.00 175.22 173.92 3b9k n PRO 149 N 2.92 0.10 -1.67 10.12 -0.04 -1.26 -0.57 135.00 144.61 3b9k n PRO 149 Ca -0.15 -1.55 -0.30 0.00 -0.04 0.00 0.00 63.50 61.46 3b9k n PRO 149 Cb 0.57 -0.43 0.08 0.00 -0.04 0.00 0.00 33.50 33.68 3b9k n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3b9k s GLU 150 N -4.04 2.28 0.00 0.54 2.02 -1.26 -4.89 118.70 113.35 3b9k s GLU 150 Ca 0.39 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.93 3b9k s GLU 150 Cb -0.02 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3b9k s GLU 150 CO 0.26 -1.46 0.00 -0.35 0.02 0.00 0.00 175.26 173.73 3b9k n PRO 151 N -3.31 1.63 -3.71 0.39 -0.04 -1.26 -4.99 135.00 123.71 3b9k n PRO 151 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 3b9k n PRO 151 Cb 0.57 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.87 3b9k n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3b9k s VAL 152 N 1.12 -0.11 -0.56 0.52 1.01 -1.26 -4.72 120.40 116.38 3b9k s VAL 152 Ca 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 3b9k s VAL 152 Cb 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 36.38 36.32 3b9k s VAL 152 CO 0.00 0.13 0.61 0.42 0.00 0.00 0.00 175.10 176.25 3b9k s THR 153 N 1.69 5.00 -0.28 3.92 -4.23 -1.06 -4.99 115.64 115.69 3b9k s THR 153 Ca -0.02 -1.19 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 3b9k s THR 153 Cb -0.12 -4.41 -0.01 0.00 1.34 0.00 0.00 72.50 69.29 3b9k s THR 153 CO -0.04 -0.99 0.11 -0.69 -0.54 0.00 0.00 174.62 172.47 3b9k s VAL 154 N 2.20 4.43 0.49 2.29 1.01 -1.26 -1.41 120.40 128.15 3b9k s VAL 154 Ca 0.08 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3b9k s VAL 154 Cb -0.26 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3b9k s VAL 154 CO 0.05 0.18 0.02 0.42 0.00 0.00 0.00 175.10 175.76 3b9k s THR 156 N 1.60 1.34 -0.10 3.92 -4.23 -1.02 -4.97 115.64 112.18 3b9k s THR 156 Ca 0.05 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 3b9k s THR 156 Cb -0.16 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.37 3b9k s THR 156 CO 0.05 0.00 -0.13 0.26 -0.54 0.00 0.00 174.62 174.26 3b9k s TRP 157 N -2.84 1.77 -1.19 3.99 0.52 -1.26 -0.53 118.94 119.39 3b9k s TRP 157 Ca 0.12 -0.83 -0.01 0.00 0.02 0.00 0.00 56.10 55.40 3b9k s TRP 157 Cb 0.03 -1.32 -0.01 0.00 -1.15 0.00 0.00 33.47 31.02 3b9k s TRP 157 CO 0.06 -0.46 0.93 0.09 0.02 0.00 0.00 176.95 177.59 3b9k n ASN 160 N 4.33 -2.71 0.00 2.95 3.02 -0.21 -2.66 115.26 119.98 3b9k n ASN 160 Ca -0.18 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3b9k n ASN 160 Cb 0.51 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 3b9k n ASN 160 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3b9k n SER 161 N -3.12 0.00 0.00 6.41 3.41 -1.26 -2.63 113.62 116.42 3b9k n SER 161 Ca -0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3b9k n SER 161 Cb 0.66 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 3b9k n SER 161 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b9k n GLY 162 N -2.00 2.45 0.20 5.00 0.00 -1.09 -5.01 105.19 104.74 3b9k n GLY 162 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3b9k n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b9k h ALA 163 N 0.00 0.25 -2.16 4.61 0.00 -1.66 -3.31 119.26 116.98 3b9k h ALA 163 Ca 0.00 -0.57 -0.80 0.00 0.00 0.00 0.00 54.91 53.55 3b9k h ALA 163 Cb 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.50 3b9k h ALA 163 CO 0.00 0.55 0.60 1.28 0.00 0.00 0.00 179.25 181.68 3b9k n LEU 164 N -4.06 5.98 -1.53 0.00 4.77 -1.25 -4.77 117.00 116.13 3b9k n LEU 164 Ca -0.08 -5.17 -0.05 0.00 -0.03 0.00 0.00 56.01 50.68 3b9k n LEU 164 Cb 0.69 -1.31 0.09 0.00 -2.33 0.00 0.00 43.42 40.57 3b9k n LEU 164 CO 0.50 1.59 0.20 -1.54 -1.33 0.00 0.00 177.39 176.82 3b9k n SER 165 N 1.76 2.70 -4.71 -1.43 3.41 -1.25 -4.58 113.62 109.52 3b9k n SER 165 Ca 0.25 -3.32 -0.42 0.00 -0.26 0.00 0.00 58.87 55.13 3b9k n SER 165 Cb 0.35 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3b9k n SER 165 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3b9k s SER 166 N -3.26 7.38 -1.31 4.04 0.15 -1.26 -3.89 113.70 115.55 3b9k s SER 166 Ca 0.40 1.69 -0.01 0.00 0.70 0.00 0.00 55.95 58.74 3b9k s SER 166 Cb 0.38 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 3b9k s SER 166 CO -0.04 -0.24 0.76 -0.67 1.20 0.00 0.00 173.24 174.24 3b9k n ASP 167 N 3.75 -1.50 -4.69 5.45 -0.08 -1.26 -4.37 116.55 113.85 3b9k n ASP 167 Ca 0.06 -0.79 -0.39 0.00 -1.51 0.00 0.00 54.79 52.15 3b9k n ASP 167 Cb 0.51 -4.19 -0.06 0.00 2.34 0.00 0.00 41.12 39.72 3b9k n ASP 167 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3b9k s VAL 171 N -3.61 5.08 -0.42 5.18 1.01 -1.25 -3.82 120.40 122.57 3b9k s VAL 171 Ca 0.04 1.17 -0.05 0.00 0.00 0.00 0.00 61.98 63.14 3b9k s VAL 171 Cb -0.02 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.54 3b9k s VAL 171 CO 0.80 0.21 0.24 -1.00 0.00 0.00 0.00 175.10 175.35 3b9k s HIS 172 N 1.22 3.48 -0.08 5.22 3.76 -0.65 -5.01 115.29 123.23 3b9k s HIS 172 Ca 0.30 -2.09 -0.17 0.00 -0.15 0.00 0.00 55.06 52.95 3b9k s HIS 172 Cb -0.16 -3.18 -0.05 0.00 1.11 0.00 0.00 32.58 30.30 3b9k s HIS 172 CO 0.12 -0.95 0.45 -0.08 -0.85 0.00 0.00 174.74 173.44 3b9k s THR 173 N 1.25 5.14 0.35 1.30 -1.32 -1.26 -0.85 115.64 120.25 3b9k s THR 173 Ca 0.06 0.91 0.07 0.00 -1.21 0.00 0.00 61.69 61.52 3b9k s THR 173 Cb -0.24 -3.78 -0.01 0.00 -1.51 0.00 0.00 72.50 66.97 3b9k s THR 173 CO -0.02 0.40 0.49 -0.36 -2.21 0.00 0.00 174.62 172.92 3b9k s PHE 174 N 0.14 3.04 0.20 9.09 0.40 -1.09 -5.04 117.98 124.72 3b9k s PHE 174 Ca 0.25 -0.26 -0.32 0.00 -0.60 0.00 0.00 56.93 55.99 3b9k s PHE 174 Cb -0.16 -2.08 -0.13 0.00 0.51 0.00 0.00 43.02 41.16 3b9k s PHE 174 CO 0.11 -0.10 1.55 -2.30 0.70 0.00 0.00 175.22 175.17 3b9k n PRO 175 N -1.68 2.25 -2.11 0.24 -0.02 -1.26 -4.76 135.00 127.65 3b9k n PRO 175 Ca 0.02 0.81 -0.39 0.00 -2.02 0.00 0.00 63.50 61.91 3b9k n PRO 175 Cb 0.58 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 3b9k n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b9k s ALA 176 N 0.55 3.25 0.08 3.55 0.00 -1.26 -4.80 121.76 123.14 3b9k s ALA 176 Ca 0.74 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.92 3b9k s ALA 176 Cb -0.63 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 3b9k s ALA 176 CO 0.42 -0.75 -0.03 0.08 0.00 0.00 0.00 175.76 175.48 3b9k s VAL 177 N -1.28 3.82 -0.13 0.00 1.01 0.32 -4.82 120.40 119.32 3b9k s VAL 177 Ca 0.56 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 3b9k s VAL 177 Cb -0.36 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3b9k s VAL 177 CO 0.47 0.15 0.22 -0.22 0.00 0.00 0.00 175.10 175.71 3b9k s LEU 178 N -2.18 4.33 -0.12 3.92 2.96 -1.26 0.19 118.68 126.52 3b9k s LEU 178 Ca 0.24 0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 54.52 3b9k s LEU 178 Cb -0.11 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3b9k s LEU 178 CO 0.16 0.27 -0.26 0.00 -1.32 0.00 0.00 176.35 175.20 3b9k n GLN 179 N 2.68 0.40 -2.87 1.98 6.02 -0.97 -4.92 117.38 119.70 3b9k n GLN 179 Ca -0.16 0.16 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 3b9k n GLN 179 Cb 0.53 -1.19 0.04 0.00 1.02 0.00 0.00 30.24 30.64 3b9k n GLN 179 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3b9k n SER 180 N -4.13 -0.38 0.00 1.08 3.41 -1.26 -4.95 113.62 107.39 3b9k n SER 180 Ca -0.10 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 3b9k n SER 180 Cb 0.39 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 3b9k n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b9k n GLY 185 N 0.09 2.18 3.79 5.00 0.00 -1.26 -5.09 105.19 109.90 3b9k n GLY 185 Ca 0.12 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 3b9k n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b9k s LEU 186 N 0.00 3.88 0.46 0.99 1.43 -1.26 -4.85 118.68 119.33 3b9k s LEU 186 Ca 0.00 0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 3b9k s LEU 186 Cb 0.00 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 3b9k s LEU 186 CO 0.00 0.21 0.74 -0.31 0.23 0.00 0.00 176.35 177.22 3b9k s TYR 187 N -1.32 3.53 -0.12 0.29 2.02 0.16 -2.28 117.35 119.63 3b9k s TYR 187 Ca 0.27 0.70 -0.06 0.00 -0.37 0.00 0.00 57.07 57.61 3b9k s TYR 187 Cb -0.12 -2.23 0.05 0.00 -0.40 0.00 0.00 41.96 39.25 3b9k s TYR 187 CO 0.19 -0.22 0.27 0.99 -1.57 0.00 0.00 175.55 175.21 3b9k s THR 188 N -2.66 -0.07 0.12 -0.71 2.01 0.52 -1.56 115.64 113.28 3b9k s THR 188 Ca 0.46 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.59 3b9k s THR 188 Cb -0.10 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 3b9k s THR 188 CO 0.43 0.06 0.08 -1.48 -0.69 0.00 0.00 174.62 173.02 3b9k s LEU 189 N 1.39 1.79 0.19 4.42 0.05 0.39 0.12 118.68 127.02 3b9k s LEU 189 Ca -0.08 -1.08 0.07 0.00 0.05 0.00 0.00 54.13 53.08 3b9k s LEU 189 Cb -0.10 0.45 -0.05 0.00 -2.05 0.00 0.00 46.19 44.44 3b9k s LEU 189 CO -0.09 -0.72 -0.13 0.42 -0.55 0.00 0.00 176.35 175.27 3b9k s THR 190 N -4.00 1.58 -0.09 5.48 -4.23 -1.26 -0.96 115.64 112.16 3b9k s THR 190 Ca 0.18 -2.17 -0.04 0.00 -1.18 0.00 0.00 61.69 58.48 3b9k s THR 190 Cb 0.07 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.96 3b9k s THR 190 CO -0.02 -0.63 0.20 -0.55 -0.54 0.00 0.00 174.62 173.08 3b9k s SER 191 N -3.28 0.19 0.06 3.99 0.15 -0.49 -2.65 113.70 111.66 3b9k s SER 191 Ca 0.21 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.28 3b9k s SER 191 Cb 0.00 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 3b9k s SER 191 CO 0.05 -0.20 0.20 -0.44 1.20 0.00 0.00 173.24 174.05 3b9k s SER 192 N 1.76 6.30 -0.02 5.45 0.01 -0.03 -0.51 113.70 126.65 3b9k s SER 192 Ca -0.04 0.25 -0.13 0.00 1.31 0.00 0.00 55.95 57.35 3b9k s SER 192 Cb -0.12 -1.93 0.02 0.00 0.21 0.00 0.00 66.02 64.21 3b9k s SER 192 CO -0.07 0.18 0.27 0.54 0.41 0.00 0.00 173.24 174.56 3b9k s VAL 193 N -1.48 0.06 0.31 3.43 0.11 -0.78 -1.63 120.40 120.41 3b9k s VAL 193 Ca 0.34 -0.49 0.10 0.00 -2.93 0.00 0.00 61.98 59.00 3b9k s VAL 193 Cb -0.13 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 3b9k s VAL 193 CO 0.27 -0.27 -0.07 0.42 -3.33 0.00 0.00 175.10 172.12 3b9k s THR 194 N -1.23 2.65 -0.08 5.04 -4.23 -1.25 -0.83 115.64 115.71 3b9k s THR 194 Ca -0.13 -2.13 -0.30 0.00 -1.18 0.00 0.00 61.69 57.95 3b9k s THR 194 Cb -0.06 -2.64 0.12 0.00 1.34 0.00 0.00 72.50 71.26 3b9k s THR 194 CO 0.03 -0.28 0.97 -0.55 -0.54 0.00 0.00 174.62 174.25 3b9k s SER 195 N -3.63 -0.33 0.00 3.99 0.15 -1.10 -4.88 113.70 107.90 3b9k s SER 195 Ca 0.32 0.12 0.15 0.00 0.70 0.00 0.00 55.95 57.25 3b9k s SER 195 Cb -0.02 0.32 0.08 0.00 -1.71 0.00 0.00 66.02 64.69 3b9k s SER 195 CO 0.18 -0.48 0.92 -1.54 1.20 0.00 0.00 173.24 173.52 3b9k n SER 196 N 0.08 2.01 -0.66 5.45 3.41 -1.26 -2.32 113.62 120.31 3b9k n SER 196 Ca -0.08 -1.50 0.12 0.00 -0.26 0.00 0.00 58.87 57.15 3b9k n SER 196 Cb 0.60 0.16 0.13 0.00 -0.26 0.00 0.00 64.21 64.84 3b9k n SER 196 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3b9k n THR 197 N 0.51 0.00 0.13 6.66 -2.24 -1.26 -4.82 114.28 113.26 3b9k n THR 197 Ca 0.08 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 3b9k n THR 197 Cb 0.35 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 3b9k n THR 197 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3b9k h TRP 198 N 3.26 -0.80 0.00 4.78 7.01 -1.82 -1.54 115.95 126.84 3b9k h TRP 198 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3b9k h TRP 198 Cb 0.81 0.33 0.00 0.00 -2.10 0.00 0.00 29.16 28.20 3b9k h TRP 198 CO 0.00 -0.41 0.38 -2.30 -2.79 0.00 0.00 178.44 173.33 3b9k n PRO 200 N -5.40 0.04 0.00 2.65 -0.02 -1.26 -2.35 135.00 128.66 3b9k n PRO 200 Ca -0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3b9k n PRO 200 Cb 0.31 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3b9k n PRO 200 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3b9k n SER 201 N -1.69 0.38 -4.10 2.55 3.41 -0.65 -5.08 113.62 108.44 3b9k n SER 201 Ca -0.00 -0.79 -0.19 0.00 -0.26 0.00 0.00 58.87 57.63 3b9k n SER 201 Cb 0.39 0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 3b9k n SER 201 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3b9k s GLN 202 N -0.15 0.82 0.18 4.33 -0.21 -0.76 -5.12 119.66 118.75 3b9k s GLN 202 Ca 0.00 -0.64 -0.31 0.00 0.02 0.00 0.00 55.36 54.42 3b9k s GLN 202 Cb 0.00 -0.78 -0.10 0.00 1.00 0.00 0.00 33.01 33.13 3b9k s GLN 202 CO 0.00 0.19 1.52 0.95 -2.12 0.00 0.00 175.29 175.84 3b9k s THR 204 N -0.76 2.70 -0.29 -0.19 -4.23 -1.26 -4.63 115.64 106.97 3b9k s THR 204 Ca 0.00 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 3b9k s THR 204 Cb -0.07 -3.33 0.09 0.00 1.34 0.00 0.00 72.50 70.53 3b9k s THR 204 CO 0.01 0.05 0.04 -0.69 -0.54 0.00 0.00 174.62 173.49 3b9k s VAL 205 N 0.88 1.38 -0.04 2.29 1.01 -1.26 -5.00 120.40 119.65 3b9k s VAL 205 Ca 0.67 -1.53 0.06 0.00 0.00 0.00 0.00 61.98 61.18 3b9k s VAL 205 Cb -0.43 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3b9k s VAL 205 CO 0.34 -0.46 -0.21 -0.89 0.00 0.00 0.00 175.10 173.87 3b9k s THR 206 N 1.39 2.45 -0.15 3.92 2.01 -1.26 -0.45 115.64 123.55 3b9k s THR 206 Ca 0.05 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 3b9k s THR 206 Cb -0.18 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3b9k s THR 206 CO -0.14 0.58 0.10 0.00 -0.69 0.00 0.00 174.62 174.47 3b9k s ASN 208 N -0.33 6.40 -0.38 0.00 -0.87 0.31 -3.01 114.94 117.05 3b9k s ASN 208 Ca 0.10 -1.99 -0.13 0.00 -1.57 0.00 0.00 52.86 49.27 3b9k s ASN 208 Cb -0.12 -2.25 0.02 0.00 -0.02 0.00 0.00 41.25 38.88 3b9k s ASN 208 CO 0.01 -0.86 0.25 -0.69 -2.57 0.00 0.00 177.10 173.25 3b9k s VAL 210 N 1.54 4.99 0.07 1.60 1.01 0.63 -2.42 120.40 127.82 3b9k s VAL 210 Ca 0.12 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.50 3b9k s VAL 210 Cb -0.20 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3b9k s VAL 210 CO -0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 175.10 174.77 3b9k s ALA 211 N 1.64 2.97 -0.43 5.51 0.00 -0.50 0.50 121.76 131.46 3b9k s ALA 211 Ca 0.04 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.87 3b9k s ALA 211 Cb -0.19 -0.97 0.17 0.00 0.00 0.00 0.00 23.12 22.14 3b9k s ALA 211 CO 0.09 0.64 0.42 -1.58 0.00 0.00 0.00 175.76 175.32 3b9k s HIS 212 N -1.15 0.45 0.25 0.00 2.46 -0.85 -2.55 115.29 113.90 3b9k s HIS 212 Ca 0.20 -1.87 0.21 0.00 0.47 0.00 0.00 55.06 54.07 3b9k s HIS 212 Cb -0.11 -0.63 1.15 0.00 -0.13 0.00 0.00 32.58 32.85 3b9k s HIS 212 CO 0.12 -0.93 1.60 -1.35 -2.47 0.00 0.00 174.74 171.71 3b9k h PRO 213 N 5.61 0.00 0.13 2.88 0.11 -1.85 -2.70 132.00 136.18 3b9k h PRO 213 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 3b9k h PRO 213 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3b9k h PRO 213 CO 0.28 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.01 3b9k h ALA 214 N 1.36 -0.17 -0.02 -0.75 0.00 -1.92 -3.19 119.26 114.57 3b9k h ALA 214 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3b9k h ALA 214 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3b9k h ALA 214 CO 0.00 -0.25 0.00 -1.13 0.00 0.00 0.00 179.25 177.87 3b9k n SER 215 N -4.88 0.25 -1.78 0.00 3.41 -1.08 -4.92 113.62 104.62 3b9k n SER 215 Ca -0.07 -1.37 -0.17 0.00 -0.26 0.00 0.00 58.87 57.00 3b9k n SER 215 Cb 0.27 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 3b9k n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3b9k n SER 216 N -0.67 -4.91 -4.91 4.04 7.64 -1.04 -5.00 113.62 108.77 3b9k n SER 216 Ca 0.16 0.05 -0.27 0.00 1.01 0.00 0.00 58.87 59.82 3b9k n SER 216 Cb 0.12 -4.00 -0.02 0.00 -1.01 0.00 0.00 64.21 59.30 3b9k n SER 216 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3b9k s THR 217 N -2.79 5.01 -0.26 0.44 -4.23 -1.11 -4.98 115.64 107.72 3b9k s THR 217 Ca 0.00 0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.42 3b9k s THR 217 Cb 0.00 -3.78 0.11 0.00 1.34 0.00 0.00 72.50 70.17 3b9k s THR 217 CO 0.00 -0.46 0.57 -0.54 -0.54 0.00 0.00 174.62 173.64 3b9k s LYS 218 N -3.91 0.49 0.03 3.99 1.02 -1.26 -2.00 119.74 118.11 3b9k s LYS 218 Ca 0.44 1.28 0.05 0.00 0.02 0.00 0.00 55.97 57.76 3b9k s LYS 218 Cb -0.10 0.62 -0.02 0.00 -0.52 0.00 0.00 37.83 37.81 3b9k s LYS 218 CO 0.33 -0.21 -0.14 0.08 -0.92 0.00 0.00 175.35 174.49 3b9k s VAL 219 N 2.68 1.11 -0.44 3.17 1.01 0.18 -4.97 120.40 123.14 3b9k s VAL 219 Ca -0.05 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3b9k s VAL 219 Cb -0.11 -1.00 0.13 0.00 0.00 0.00 0.00 36.38 35.40 3b9k s VAL 219 CO -0.17 0.04 0.23 -1.81 0.00 0.00 0.00 175.10 173.39 3b9k s ASP 220 N -1.04 3.77 -0.22 3.32 1.11 -1.26 -0.27 116.67 122.08 3b9k s ASP 220 Ca 0.02 -2.60 -0.09 0.00 0.18 0.00 0.00 52.55 50.07 3b9k s ASP 220 Cb -0.08 -1.10 -0.04 0.00 1.07 0.00 0.00 42.92 42.77 3b9k s ASP 220 CO 0.01 -0.27 0.10 -0.54 1.18 0.00 0.00 175.17 175.65 3b9k s LYS 221 N 0.37 3.96 0.16 8.23 -0.14 -1.16 -4.91 119.74 126.24 3b9k s LYS 221 Ca 0.17 -0.34 -0.12 0.00 -1.36 0.00 0.00 55.97 54.32 3b9k s LYS 221 Cb -0.24 -3.37 -0.07 0.00 -1.68 0.00 0.00 37.83 32.47 3b9k s LYS 221 CO -0.01 0.10 0.53 0.00 -0.76 0.00 0.00 175.35 175.20 3b9k s ALA 222 N 0.89 3.60 -0.54 5.17 0.00 -1.26 -2.19 121.76 127.43 3b9k s ALA 222 Ca 0.05 -0.21 -0.21 0.00 0.00 0.00 0.00 51.96 51.59 3b9k s ALA 222 Cb -0.13 -2.46 0.06 0.00 0.00 0.00 0.00 23.12 20.58 3b9k s ALA 222 CO 0.03 0.49 0.78 0.08 0.00 0.00 0.00 175.76 177.14 3b9k s VAL 223 N -1.56 4.64 -0.05 0.00 1.01 0.41 -4.75 120.40 120.09 3b9k s VAL 223 Ca 0.40 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 3b9k s VAL 223 Cb -0.14 -4.44 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 3b9k s VAL 223 CO 0.20 -1.00 0.32 -1.61 0.00 0.00 0.00 175.10 173.01 3b9k s GLU 229 N 3.26 3.79 0.00 2.72 0.41 -1.26 -4.67 118.70 122.95 3b9k s GLU 229 Ca 0.21 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 55.00 3b9k s GLU 229 Cb -0.17 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 28.96 3b9k s GLU 229 CO 0.14 0.69 0.14 0.00 -0.49 0.00 0.00 175.26 175.74