#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 4.33 -0.20 -0.39 1.01 -1.26 -4.30 120.40 119.58 3b9k s VAL 2 Ca 0.00 1.61 -0.16 0.00 0.00 0.00 0.00 61.98 63.43 3b9k s VAL 2 Cb 0.00 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.65 3b9k s VAL 2 CO 0.00 -0.09 0.53 -0.60 0.00 0.00 0.00 175.10 174.94 3b9k s ARG 3 N -2.63 0.58 -0.04 2.72 3.52 0.47 -4.98 118.95 118.59 3b9k s ARG 3 Ca 0.56 0.82 0.04 0.00 -0.13 0.00 0.00 55.73 57.02 3b9k s ARG 3 Cb -0.14 0.21 -0.00 0.00 -1.56 0.00 0.00 34.95 33.46 3b9k s ARG 3 CO 0.18 -0.10 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.89 3b9k s LEU 4 N 0.72 1.91 -0.10 -0.88 1.02 -1.26 0.08 118.68 120.16 3b9k s LEU 4 Ca -0.04 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 3b9k s LEU 4 Cb -0.05 -0.96 0.03 0.00 0.02 0.00 0.00 46.19 45.23 3b9k s LEU 4 CO -0.05 0.15 -0.05 -1.58 0.02 0.00 0.00 176.35 174.83 3b9k s GLN 5 N 0.07 1.26 0.61 1.70 0.74 -0.78 -4.02 119.66 119.24 3b9k s GLN 5 Ca -0.04 -0.15 -0.12 0.00 0.05 0.00 0.00 55.36 55.09 3b9k s GLN 5 Cb -0.12 -1.40 -0.04 0.00 1.10 0.00 0.00 33.01 32.56 3b9k s GLN 5 CO 0.02 -0.27 1.03 -1.21 -0.55 0.00 0.00 175.29 174.31 3b9k s GLU 6 N 1.75 3.55 -0.10 1.67 8.01 -1.26 -1.74 118.70 130.57 3b9k s GLU 6 Ca 0.04 0.82 -0.30 0.00 0.01 0.00 0.00 54.97 55.54 3b9k s GLU 6 Cb -0.13 -2.07 0.11 0.00 -4.31 0.00 0.00 34.13 27.73 3b9k s GLU 6 CO -0.07 -0.61 0.89 -1.54 0.01 0.00 0.00 175.26 173.95 3b9k s SER 7 N -3.93 -0.44 0.00 -0.19 1.04 0.24 -4.91 113.70 105.51 3b9k s SER 7 Ca 0.56 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.40 3b9k s SER 7 Cb -0.11 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3b9k s SER 7 CO 0.50 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.87 3b9k n GLY 8 N 0.59 -2.19 0.20 7.32 0.00 -1.26 0.79 105.19 110.64 3b9k n GLY 8 Ca -0.12 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 3b9k n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3b9k h PRO 9 N 0.00 0.53 0.00 1.61 0.13 -1.94 -3.47 132.00 128.87 3b9k h PRO 9 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3b9k h PRO 9 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 3b9k h PRO 9 CO 0.00 1.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.18 3b9k n GLY 10 N 0.41 2.96 3.18 1.56 0.00 -1.26 -4.98 105.19 107.05 3b9k n GLY 10 Ca -0.04 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 2.04 -0.01 0.99 2.96 -1.26 -1.18 118.68 122.22 3b9k s LEU 11 Ca 0.00 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3b9k s LEU 11 Cb 0.00 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 3b9k s LEU 11 CO 0.00 0.11 -0.12 0.54 -1.32 0.00 0.00 176.35 175.56 3b9k s VAL 12 N 0.59 0.94 0.53 1.68 0.11 -0.37 -4.97 120.40 118.91 3b9k s VAL 12 Ca -0.13 -0.50 -0.19 0.00 -2.93 0.00 0.00 61.98 58.23 3b9k s VAL 12 Cb -0.17 -0.80 -0.06 0.00 -1.53 0.00 0.00 36.38 33.82 3b9k s VAL 12 CO 0.04 0.27 1.08 -1.10 -3.33 0.00 0.00 175.10 172.06 3b9k s GLN 13 N -0.17 3.50 0.54 1.54 -0.21 -1.25 -2.58 119.66 121.04 3b9k s GLN 13 Ca 0.03 1.43 -0.21 0.00 0.02 0.00 0.00 55.36 56.62 3b9k s GLN 13 Cb -0.06 -2.04 -0.05 0.00 1.00 0.00 0.00 33.01 31.86 3b9k s GLN 13 CO -0.00 -0.70 1.29 -2.14 -2.12 0.00 0.00 175.29 171.62 3b9k s PRO 14 N -3.43 3.21 0.00 2.91 0.02 -1.26 -2.59 135.00 133.85 3b9k s PRO 14 Ca 0.69 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.76 3b9k s PRO 14 Cb -0.19 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.12 3b9k s PRO 14 CO 0.26 -1.08 0.00 0.43 -0.33 0.00 0.00 177.00 176.28 3b9k n SER 15 N -1.06 -1.07 -4.91 2.53 7.64 -1.26 -4.95 113.62 110.54 3b9k n SER 15 Ca 0.11 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.78 3b9k n SER 15 Cb 0.47 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 3b9k n SER 15 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3b9k s GLN 16 N -0.17 2.55 0.00 1.43 2.00 -1.07 -4.93 119.66 119.48 3b9k s GLN 16 Ca 0.00 -1.52 -0.06 0.00 -2.00 0.00 0.00 55.36 51.78 3b9k s GLN 16 Cb 0.00 -2.44 -0.05 0.00 0.80 0.00 0.00 33.01 31.33 3b9k s GLN 16 CO 0.00 -0.27 0.25 0.99 -0.50 0.00 0.00 175.29 175.76 3b9k s THR 17 N -2.48 5.34 -0.26 -0.34 2.01 -1.26 -4.35 115.64 114.29 3b9k s THR 17 Ca 0.49 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.44 3b9k s THR 17 Cb -0.04 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3b9k s THR 17 CO 0.29 0.36 0.31 -0.22 -0.69 0.00 0.00 174.62 174.67 3b9k s LEU 18 N -1.80 4.06 -0.23 4.42 2.96 0.56 -4.95 118.68 123.70 3b9k s LEU 18 Ca 0.27 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 3b9k s LEU 18 Cb -0.13 -2.34 0.04 0.00 0.50 0.00 0.00 46.19 44.27 3b9k s LEU 18 CO 0.17 -0.11 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.51 3b9k s SER 19 N 1.50 3.96 0.11 3.68 0.01 -1.26 -1.58 113.70 120.13 3b9k s SER 19 Ca 0.13 -1.08 0.07 0.00 1.31 0.00 0.00 55.95 56.38 3b9k s SER 19 Cb -0.15 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 3b9k s SER 19 CO 0.09 -0.12 -0.07 -0.76 0.41 0.00 0.00 173.24 172.79 3b9k s LEU 20 N 1.19 3.14 -0.10 2.44 1.43 -0.10 -4.34 118.68 122.35 3b9k s LEU 20 Ca -0.03 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 3b9k s LEU 20 Cb -0.17 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 3b9k s LEU 20 CO -0.08 0.16 -0.24 -0.89 0.23 0.00 0.00 176.35 175.54 3b9k s THR 21 N -1.32 2.08 -0.27 5.49 2.01 0.24 -1.20 115.64 122.66 3b9k s THR 21 Ca 0.23 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 3b9k s THR 21 Cb -0.11 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 3b9k s THR 21 CO 0.15 0.56 0.12 0.00 -0.69 0.00 0.00 174.62 174.76 3b9k s SER 23 N 1.65 5.35 0.25 0.00 0.01 -0.71 -0.03 113.70 120.21 3b9k s SER 23 Ca 0.06 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.23 3b9k s SER 23 Cb -0.16 -1.97 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 3b9k s SER 23 CO 0.06 -0.03 0.35 0.68 0.41 0.00 0.00 173.24 174.71 3b9k s VAL 24 N 1.58 5.10 -0.18 3.43 -7.23 -0.65 -1.87 120.40 120.57 3b9k s VAL 24 Ca 0.06 -1.03 -0.08 0.00 -1.81 0.00 0.00 61.98 59.12 3b9k s VAL 24 Cb -0.15 -3.79 0.07 0.00 0.56 0.00 0.00 36.38 33.08 3b9k s VAL 24 CO 0.05 -0.32 0.41 -0.55 -0.31 0.00 0.00 175.10 174.38 3b9k s SER 25 N -3.98 -0.37 0.00 4.85 0.15 0.11 -4.84 113.70 109.62 3b9k s SER 25 Ca 0.35 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.94 3b9k s SER 25 Cb -0.09 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 3b9k s SER 25 CO 0.29 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.12 3b9k n GLY 26 N 4.84 0.80 3.75 9.45 0.00 -1.26 -0.40 105.19 122.37 3b9k n GLY 26 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.14 -0.21 -0.15 1.61 -0.12 -1.26 -4.79 117.98 110.92 3b9k s PHE 27 Ca 0.00 -0.14 -0.04 0.00 -0.05 0.00 0.00 56.93 56.70 3b9k s PHE 27 Cb 0.00 0.66 -0.03 0.00 -0.63 0.00 0.00 43.02 43.02 3b9k s PHE 27 CO 0.00 -1.00 -0.03 0.45 -0.05 0.00 0.00 175.22 174.59 3b9k s SER 28 N -2.88 4.88 0.58 1.98 0.15 -1.26 -4.98 113.70 112.17 3b9k s SER 28 Ca 0.10 -0.10 0.36 0.00 0.70 0.00 0.00 55.95 57.01 3b9k s SER 28 Cb -0.03 -1.76 1.73 0.00 -1.71 0.00 0.00 66.02 64.25 3b9k s SER 28 CO 0.02 0.19 2.13 -0.07 1.20 0.00 0.00 173.24 176.71 3b9k h LEU 29 N 6.57 0.00 0.00 3.45 3.38 -1.89 0.18 115.31 127.00 3b9k h LEU 29 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3b9k h LEU 29 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3b9k h LEU 29 CO 0.63 0.03 0.00 2.30 0.09 0.00 0.00 178.44 181.49 3b9k n ILE 30 N -3.21 0.55 0.00 1.22 -5.35 -1.26 -3.47 119.36 107.84 3b9k n ILE 30 Ca -0.01 0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 3b9k n ILE 30 Cb 0.22 -0.87 -0.00 0.00 -1.74 0.00 0.00 39.64 37.25 3b9k n ILE 30 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3b9k n SER 31 N -1.29 4.04 -3.89 7.28 3.41 0.52 -4.81 113.62 118.89 3b9k n SER 31 Ca 0.08 -0.09 -0.11 0.00 -0.26 0.00 0.00 58.87 58.48 3b9k n SER 31 Cb 0.13 1.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.98 3b9k n SER 31 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3b9k s ASP 32 N -1.84 0.03 0.73 4.04 1.01 -0.63 -4.88 116.67 115.13 3b9k s ASP 32 Ca -0.00 -0.11 -0.11 0.00 0.71 0.00 0.00 52.55 53.03 3b9k s ASP 32 Cb 0.00 0.17 0.03 0.00 1.01 0.00 0.00 42.92 44.14 3b9k s ASP 32 CO 0.01 -0.21 1.08 -0.94 0.21 0.00 0.00 175.17 175.32 3b9k s SER 33 N -0.80 4.85 -0.18 0.27 1.04 -1.26 -4.39 113.70 113.23 3b9k s SER 33 Ca -0.09 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.14 3b9k s SER 33 Cb -0.05 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.57 3b9k s SER 33 CO 0.00 -1.80 -0.19 -0.69 0.98 0.00 0.00 173.24 171.54 3b9k s VAL 34 N -2.85 2.14 0.30 5.02 1.01 -0.44 -4.35 120.40 121.23 3b9k s VAL 34 Ca 0.61 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.76 3b9k s VAL 34 Cb -0.17 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3b9k s VAL 34 CO 0.53 0.52 0.03 -1.00 0.00 0.00 0.00 175.10 175.19 3b9k s HIS 35 N 1.30 2.67 -0.05 5.22 3.76 0.14 -0.29 115.29 128.05 3b9k s HIS 35 Ca 0.05 -0.30 0.04 0.00 -0.15 0.00 0.00 55.06 54.71 3b9k s HIS 35 Cb -0.13 -1.35 -0.00 0.00 1.11 0.00 0.00 32.58 32.20 3b9k s HIS 35 CO -0.12 0.53 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.53 3b9k s TRP 36 N -2.38 1.81 -0.03 1.40 0.52 0.51 -0.86 118.94 119.90 3b9k s TRP 36 Ca 0.34 -0.53 0.02 0.00 0.02 0.00 0.00 56.10 55.94 3b9k s TRP 36 Cb -0.04 -1.22 0.01 0.00 -1.15 0.00 0.00 33.47 31.07 3b9k s TRP 36 CO 0.20 -0.18 -0.07 0.08 0.02 0.00 0.00 176.95 177.01 3b9k s VAL 37 N 0.02 0.63 0.26 4.03 1.01 -0.55 -0.65 120.40 125.16 3b9k s VAL 37 Ca -0.04 -0.25 0.11 0.00 0.00 0.00 0.00 61.98 61.80 3b9k s VAL 37 Cb -0.12 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 3b9k s VAL 37 CO 0.02 0.22 -0.10 0.00 0.00 0.00 0.00 175.10 175.24 3b9k s ARG 38 N 0.44 1.98 -0.27 2.72 1.70 -0.19 -0.24 118.95 125.08 3b9k s ARG 38 Ca -0.06 -1.55 -0.01 0.00 -0.47 0.00 0.00 55.73 53.63 3b9k s ARG 38 Cb -0.10 -1.98 0.13 0.00 -0.57 0.00 0.00 34.95 32.42 3b9k s ARG 38 CO 0.00 0.36 0.29 -1.14 -1.08 0.00 0.00 175.30 173.73 3b9k s GLN 39 N -3.48 0.30 0.58 3.89 0.74 0.44 -1.63 119.66 120.51 3b9k s GLN 39 Ca 0.30 -0.05 -0.20 0.00 0.05 0.00 0.00 55.36 55.46 3b9k s GLN 39 Cb -0.06 -0.74 -0.04 0.00 1.10 0.00 0.00 33.01 33.27 3b9k s GLN 39 CO 0.17 -0.95 1.26 -2.14 -0.55 0.00 0.00 175.29 173.09 3b9k s PRO 40 N 2.36 2.97 -0.27 1.67 0.02 -1.26 -1.09 135.00 139.40 3b9k s PRO 40 Ca 0.09 1.98 -0.39 0.00 0.02 0.00 0.00 61.00 62.71 3b9k s PRO 40 Cb -0.14 -2.03 -0.15 0.00 0.02 0.00 0.00 34.50 32.20 3b9k s PRO 40 CO -0.29 -1.25 1.81 -2.30 -0.33 0.00 0.00 177.00 174.64 3b9k n PRO 41 N -1.44 1.27 -0.91 5.54 -0.01 -1.26 -0.24 135.00 137.94 3b9k n PRO 41 Ca 0.13 0.46 0.00 0.00 -0.01 0.00 0.00 63.50 64.08 3b9k n PRO 41 Cb 0.48 -2.19 0.00 0.00 -0.01 0.00 0.00 33.50 31.78 3b9k n PRO 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3b9k n GLY 42 N 4.46 0.75 3.23 -1.23 0.00 -1.26 -5.00 105.19 106.13 3b9k n GLY 42 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 3b9k n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3b9k n LYS 43 N -2.46 0.84 -2.44 1.61 4.76 0.66 -5.13 118.16 116.01 3b9k n LYS 43 Ca 0.00 -3.05 -0.24 0.00 -2.87 0.00 0.00 58.31 52.15 3b9k n LYS 43 Cb 0.00 0.51 0.09 0.00 -1.84 0.00 0.00 35.03 33.80 3b9k n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3b9k s GLY 44 N -3.70 1.76 0.17 0.72 0.00 -1.26 -4.68 107.32 100.33 3b9k s GLY 44 Ca 0.17 -1.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 3b9k s GLY 44 CO 0.11 -0.93 1.06 1.08 0.00 0.00 0.00 173.10 174.42 3b9k s LEU 45 N -5.17 4.50 -0.15 0.66 1.43 -1.26 -4.38 118.68 114.31 3b9k s LEU 45 Ca 0.64 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 3b9k s LEU 45 Cb -0.07 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.57 3b9k s LEU 45 CO 0.44 -0.16 -0.11 -0.70 0.23 0.00 0.00 176.35 176.05 3b9k s GLU 46 N -0.33 1.98 0.06 1.70 2.12 -0.64 -5.00 118.70 118.59 3b9k s GLU 46 Ca 0.48 -0.50 -0.31 0.00 0.36 0.00 0.00 54.97 55.01 3b9k s GLU 46 Cb -0.28 -1.99 -0.07 0.00 0.26 0.00 0.00 34.13 32.05 3b9k s GLU 46 CO 0.34 -0.28 1.45 -0.46 -0.54 0.00 0.00 175.26 175.76 3b9k s TRP 47 N 1.55 2.92 -0.25 5.30 -0.00 -1.26 -1.02 118.94 126.18 3b9k s TRP 47 Ca 0.04 0.76 -0.09 0.00 -0.00 0.00 0.00 56.10 56.82 3b9k s TRP 47 Cb -0.13 -3.74 -0.16 0.00 -0.00 0.00 0.00 33.47 29.44 3b9k s TRP 47 CO -0.10 -2.73 -0.18 -1.33 -0.00 0.00 0.00 176.95 172.62 3b9k n MET 48 N 4.85 0.62 -3.69 5.86 2.81 0.18 -4.56 117.12 123.19 3b9k n MET 48 Ca 0.13 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 3b9k n MET 48 Cb 0.42 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 3b9k n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3b9k n GLY 49 N 1.69 -1.17 3.66 3.03 0.00 -1.20 -0.70 105.19 110.50 3b9k n GLY 49 Ca -0.47 -1.07 -0.05 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.32 -0.33 -0.02 0.00 -0.29 -0.36 107.32 105.99 3b9k s GLY 50 Ca 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 44.72 45.12 3b9k s GLY 50 CO 0.00 0.12 0.08 -1.50 0.00 0.00 0.00 173.10 171.80 3b9k s ILE 51 N -3.24 3.47 0.91 0.90 2.07 0.60 -1.86 121.20 124.04 3b9k s ILE 51 Ca 0.09 -1.29 -0.10 0.00 -1.41 0.00 0.00 60.65 57.94 3b9k s ILE 51 Cb -0.01 -3.00 0.14 0.00 0.13 0.00 0.00 42.46 39.71 3b9k s ILE 51 CO -0.02 -0.19 1.13 0.79 -1.91 0.00 0.00 174.94 174.73 3b9k n TRP 52 N 4.73 0.81 -0.29 3.50 7.02 0.14 -1.33 117.44 132.03 3b9k n TRP 52 Ca -0.12 0.39 0.13 0.00 -1.02 0.00 0.00 57.50 56.89 3b9k n TRP 52 Cb 0.44 -2.00 0.39 0.00 -2.42 0.00 0.00 31.31 27.71 3b9k n TRP 52 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3b9k h ALA 53 N -1.79 1.86 0.00 6.99 0.00 -1.80 -1.89 119.26 122.63 3b9k h ALA 53 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3b9k h ALA 53 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3b9k h ALA 53 CO 0.41 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.12 3b9k n ASP 54 N -4.59 0.00 0.00 0.00 5.68 -1.26 -4.66 116.55 111.71 3b9k n ASP 54 Ca 0.19 0.47 0.00 0.00 -0.50 0.00 0.00 54.79 54.95 3b9k n ASP 54 Cb 0.53 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 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 0.79 2.47 3.79 6.12 0.00 -0.71 -5.10 105.19 112.54 3b9k n GLY 55 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.60 4.01 0.02 1.61 1.04 -1.26 -4.77 113.70 112.75 3b9k s SER 56 Ca 0.00 1.19 0.01 0.00 0.48 0.00 0.00 55.95 57.63 3b9k s SER 56 Cb 0.00 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 3b9k s SER 56 CO 0.00 -2.26 -0.05 0.42 0.98 0.00 0.00 173.24 172.33 3b9k s THR 57 N -3.18 0.35 -0.00 2.02 -4.23 -1.26 -0.68 115.64 108.65 3b9k s THR 57 Ca 0.62 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 60.50 3b9k s THR 57 Cb -0.15 -0.38 -0.00 0.00 1.34 0.00 0.00 72.50 73.30 3b9k s THR 57 CO 0.54 -0.21 -0.04 -1.61 -0.54 0.00 0.00 174.62 172.77 3b9k s GLU 58 N -0.91 0.33 0.16 3.99 0.41 -0.78 -4.99 118.70 116.91 3b9k s GLU 58 Ca -0.06 -0.14 0.07 0.00 -0.41 0.00 0.00 54.97 54.43 3b9k s GLU 58 Cb -0.06 -0.32 -0.04 0.00 -1.78 0.00 0.00 34.13 31.92 3b9k s GLU 58 CO -0.00 0.08 -0.16 0.71 -0.49 0.00 0.00 175.26 175.40 3b9k s TYR 59 N -0.06 1.66 0.32 1.61 2.02 -1.26 -1.14 117.35 120.49 3b9k s TYR 59 Ca 0.01 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 55.89 3b9k s TYR 59 Cb -0.02 -0.82 -0.11 0.00 -0.40 0.00 0.00 41.96 40.61 3b9k s TYR 59 CO -0.00 0.28 1.47 1.21 -1.57 0.00 0.00 175.55 176.94 3b9k s ASN 60 N -2.80 6.50 0.30 2.29 3.84 0.12 -4.83 114.94 120.35 3b9k s ASN 60 Ca 0.16 2.87 0.04 0.00 0.21 0.00 0.00 52.86 56.15 3b9k s ASN 60 Cb -0.04 -2.65 0.48 0.00 -0.55 0.00 0.00 41.25 38.49 3b9k s ASN 60 CO 0.05 -0.78 1.75 0.77 -2.79 0.00 0.00 177.10 176.10 3b9k h SER 61 N 3.99 0.39 0.14 -4.21 4.64 -1.94 0.12 113.55 116.68 3b9k h SER 61 Ca -0.48 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 60.69 3b9k h SER 61 Cb 1.23 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3b9k h SER 61 CO 0.71 0.66 -0.10 0.00 -0.87 0.00 0.00 176.83 177.23 3b9k h ALA 62 N 1.38 1.66 0.00 5.18 0.00 -1.97 -3.21 119.26 122.29 3b9k h ALA 62 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3b9k h ALA 62 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3b9k h ALA 62 CO 0.05 0.12 -1.53 1.28 0.00 0.00 0.00 179.25 179.17 3b9k n LEU 63 N -4.16 0.00 -0.10 0.00 4.77 -1.01 -4.79 117.00 111.71 3b9k n LEU 63 Ca -0.03 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.99 3b9k n LEU 63 Cb 0.18 0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3b9k n LEU 63 CO 0.33 0.05 0.21 1.17 -1.33 0.00 0.00 177.39 177.82 3b9k n LYS 64 N -1.97 -0.02 0.00 3.23 4.81 0.39 0.72 118.16 125.32 3b9k n LYS 64 Ca -0.05 0.43 0.12 0.00 -0.87 0.00 0.00 58.31 57.94 3b9k n LYS 64 Cb 0.38 -0.67 0.61 0.00 0.02 0.00 0.00 35.03 35.38 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 -4.27 0.00 -0.03 3.14 3.41 -1.26 -3.40 113.62 111.20 3b9k n SER 65 Ca 0.06 -0.14 0.03 0.00 -0.26 0.00 0.00 58.87 58.56 3b9k n SER 65 Cb 0.19 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3b9k n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3b9k n ARG 66 N -1.25 4.15 -4.94 4.33 1.74 0.22 -5.01 116.66 115.90 3b9k n ARG 66 Ca 0.12 -0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 3b9k n ARG 66 Cb 0.18 -0.87 -0.14 0.00 -1.02 0.00 0.00 32.46 30.60 3b9k n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3b9k s LEU 67 N -2.18 2.62 -0.16 0.55 1.43 -1.19 -1.99 118.68 117.77 3b9k s LEU 67 Ca 0.03 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3b9k s LEU 67 Cb 0.06 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.81 3b9k s LEU 67 CO 0.28 0.31 0.09 -0.55 0.23 0.00 0.00 176.35 176.71 3b9k s SER 68 N -0.52 2.18 -0.19 2.29 0.15 -0.57 -4.90 113.70 112.13 3b9k s SER 68 Ca 0.07 -0.52 -0.09 0.00 0.70 0.00 0.00 55.95 56.11 3b9k s SER 68 Cb -0.12 -0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 63.94 3b9k s SER 68 CO 0.01 -0.34 0.11 -0.63 1.20 0.00 0.00 173.24 173.59 3b9k s ILE 69 N 2.15 5.22 0.05 6.45 1.01 -1.26 -1.77 121.20 133.05 3b9k s ILE 69 Ca 0.02 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.80 3b9k s ILE 69 Cb -0.16 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 38.94 3b9k s ILE 69 CO -0.08 0.45 0.03 -1.54 0.00 0.00 0.00 174.94 173.79 3b9k n SER 70 N 3.49 0.51 -3.55 3.58 3.41 -0.48 -4.81 113.62 115.77 3b9k n SER 70 Ca -0.16 -1.31 -0.11 0.00 -0.26 0.00 0.00 58.87 57.03 3b9k n SER 70 Cb 0.52 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 3b9k n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b9k s ARG 71 N -2.21 1.31 -0.25 4.33 1.70 -1.26 -1.35 118.95 121.23 3b9k s ARG 71 Ca 0.04 -0.62 0.01 0.00 -0.47 0.00 0.00 55.73 54.69 3b9k s ARG 71 Cb 0.00 0.56 0.07 0.00 -0.57 0.00 0.00 34.95 35.01 3b9k s ARG 71 CO 0.03 -0.57 -0.02 0.34 -1.08 0.00 0.00 175.30 174.00 3b9k s ASP 72 N -2.80 3.95 0.27 -2.89 -1.08 -0.51 -4.99 116.67 108.64 3b9k s ASP 72 Ca 0.04 -1.33 0.15 0.00 -0.52 0.00 0.00 52.55 50.88 3b9k s ASP 72 Cb -0.01 -1.18 0.07 0.00 -1.46 0.00 0.00 42.92 40.34 3b9k s ASP 72 CO -0.09 -0.27 1.45 0.74 0.52 0.00 0.00 175.17 177.51 3b9k h THR 73 N 6.64 0.92 -0.83 1.71 2.02 -1.97 -2.00 112.91 119.40 3b9k h THR 73 Ca -0.16 -2.28 0.14 0.00 0.77 0.00 0.00 66.41 64.88 3b9k h THR 73 Cb 1.06 2.44 -0.09 0.00 -1.74 0.00 0.00 68.15 69.82 3b9k h THR 73 CO 0.43 0.52 0.43 0.77 0.37 0.00 0.00 175.52 178.04 3b9k h SER 74 N 0.00 0.53 -0.55 4.18 4.64 -1.96 -3.13 113.55 117.27 3b9k h SER 74 Ca -0.01 0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 3b9k h SER 74 Cb 1.39 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.45 3b9k h SER 74 CO 0.07 0.24 0.07 0.29 -0.87 0.00 0.00 176.83 176.63 3b9k n LYS 75 N -4.86 4.16 -3.97 4.77 5.02 -1.05 -4.96 118.16 117.28 3b9k n LYS 75 Ca 0.16 -3.09 -0.32 0.00 -2.02 0.00 0.00 58.31 53.04 3b9k n LYS 75 Cb 0.40 -2.17 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 3b9k n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3b9k n SER 76 N 0.16 -1.59 -3.91 4.39 7.64 -1.11 -4.82 113.62 114.37 3b9k n SER 76 Ca 0.30 -1.00 -0.20 0.00 1.01 0.00 0.00 58.87 58.98 3b9k n SER 76 Cb 1.19 -1.21 -0.16 0.00 -1.01 0.00 0.00 64.21 63.01 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 -6.71 0.85 0.02 1.43 -0.21 -0.78 -1.64 119.66 112.62 3b9k s GLN 77 Ca 0.23 -0.14 0.03 0.00 0.02 0.00 0.00 55.36 55.50 3b9k s GLN 77 Cb -0.13 -0.83 -0.04 0.00 1.00 0.00 0.00 33.01 33.01 3b9k s GLN 77 CO 0.76 -0.05 -0.02 0.20 -2.12 0.00 0.00 175.29 174.06 3b9k s GLY 78 N 0.78 1.85 -0.03 3.09 0.00 0.95 -1.42 107.32 112.55 3b9k s GLY 78 Ca -0.11 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.66 3b9k s GLY 78 CO 0.00 -0.90 -0.19 -1.36 0.00 0.00 0.00 173.10 170.66 3b9k s PHE 79 N -1.11 1.77 -0.10 1.90 0.08 -0.45 -0.31 117.98 119.75 3b9k s PHE 79 Ca 0.20 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.87 3b9k s PHE 79 Cb -0.11 -1.16 0.01 0.00 -0.57 0.00 0.00 43.02 41.19 3b9k s PHE 79 CO 0.11 -0.09 -0.16 -1.17 -0.10 0.00 0.00 175.22 173.81 3b9k s LEU 80 N -0.27 1.78 -0.09 -0.37 0.20 -0.34 -1.39 118.68 118.20 3b9k s LEU 80 Ca 0.03 -0.42 0.03 0.00 0.69 0.00 0.00 54.13 54.46 3b9k s LEU 80 Cb -0.09 -1.09 0.01 0.00 -0.43 0.00 0.00 46.19 44.58 3b9k s LEU 80 CO 0.00 0.05 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.39 3b9k s LYS 81 N 0.77 2.43 -0.03 1.98 1.02 -0.73 -0.92 119.74 124.25 3b9k s LYS 81 Ca -0.11 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.23 3b9k s LYS 81 Cb -0.16 -1.90 0.02 0.00 -0.52 0.00 0.00 37.83 35.27 3b9k s LYS 81 CO 0.02 0.09 -0.04 1.41 -0.92 0.00 0.00 175.35 175.92 3b9k s MET 82 N 0.54 0.65 0.50 1.68 1.75 -0.62 -1.52 119.30 122.28 3b9k s MET 82 Ca -0.16 -0.07 0.05 0.00 -1.25 0.00 0.00 55.69 54.26 3b9k s MET 82 Cb -0.17 -0.69 0.01 0.00 2.84 0.00 0.00 34.83 36.82 3b9k s MET 82 CO 0.06 -0.06 0.28 0.54 -0.65 0.00 0.00 175.02 175.18 3b9k s ASN 82 N 0.78 4.52 -0.62 1.11 2.20 -0.84 -0.32 114.94 121.77 3b9k s ASN 82 Ca -0.10 -1.26 -0.03 0.00 -0.94 0.00 0.00 52.86 50.53 3b9k s ASN 82 Cb -0.13 0.19 0.00 0.00 -2.00 0.00 0.00 41.25 39.31 3b9k s ASN 82 CO -0.00 -0.91 0.63 -1.20 -2.94 0.00 0.00 177.10 172.67 3b9k n SER 82 N -1.54 -7.39 -4.63 3.54 7.64 -1.26 -4.88 113.62 105.11 3b9k n SER 82 Ca -0.05 0.06 -0.39 0.00 1.01 0.00 0.00 58.87 59.50 3b9k n SER 82 Cb 0.65 -5.00 -0.08 0.00 -1.01 0.00 0.00 64.21 58.77 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 -3.55 4.07 0.67 -3.43 1.43 -1.26 -4.95 118.68 111.65 3b9k s LEU 82 Ca 0.05 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3b9k s LEU 82 Cb -0.01 -2.55 0.06 0.00 0.03 0.00 0.00 46.19 43.72 3b9k s LEU 82 CO 0.70 -0.20 0.95 -1.10 0.23 0.00 0.00 176.35 176.93 3b9k s GLN 83 N 1.99 2.23 0.41 1.70 1.11 -1.26 -4.08 119.66 121.77 3b9k s GLN 83 Ca 0.19 -0.44 0.22 0.00 0.01 0.00 0.00 55.36 55.33 3b9k s GLN 83 Cb -0.15 -2.26 0.44 0.00 -1.01 0.00 0.00 33.01 30.03 3b9k s GLN 83 CO 0.09 -1.13 1.63 1.79 0.01 0.00 0.00 175.29 177.68 3b9k h THR 84 N -0.43 0.30 0.00 -0.19 1.35 -1.97 -2.98 112.91 108.97 3b9k h THR 84 Ca -0.43 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 3b9k h THR 84 Cb 1.31 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 3b9k h THR 84 CO 0.57 0.16 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 3b9k n ASP 85 N -3.16 0.00 0.01 5.36 5.68 -1.26 -1.38 116.55 121.79 3b9k n ASP 85 Ca 0.03 -1.20 0.13 0.00 -0.50 0.00 0.00 54.79 53.26 3b9k n ASP 85 Cb 0.55 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.05 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 0.17 -4.67 -1.12 8.00 -1.13 -4.85 116.55 112.28 3b9k n ASP 86 Ca 0.05 0.32 -0.46 0.00 0.71 0.00 0.00 54.79 55.41 3b9k n ASP 86 Cb 0.03 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 40.76 3b9k n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3b9k n THR 87 N -1.54 0.61 -3.72 -3.53 -1.04 -0.48 -4.90 114.28 99.68 3b9k n THR 87 Ca 0.07 -0.11 -0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3b9k n THR 87 Cb 0.34 -2.03 -0.00 0.00 -1.82 0.00 0.00 70.33 66.82 3b9k n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3b9k s ALA 88 N 3.98 -2.01 -0.11 2.41 0.00 -0.30 -4.39 121.76 121.34 3b9k s ALA 88 Ca 0.90 0.35 -0.26 0.00 0.00 0.00 0.00 51.96 52.95 3b9k s ALA 88 Cb -0.59 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3b9k s ALA 88 CO 0.47 -1.06 0.85 0.42 0.00 0.00 0.00 175.76 176.44 3b9k s ILE 89 N -2.64 4.90 -0.28 0.00 -1.09 -0.25 -0.55 121.20 121.29 3b9k s ILE 89 Ca 0.16 1.72 -0.09 0.00 -2.23 0.00 0.00 60.65 60.21 3b9k s ILE 89 Cb 0.02 -4.17 -0.02 0.00 -1.58 0.00 0.00 42.46 36.71 3b9k s ILE 89 CO -0.01 0.09 0.12 -0.31 -1.23 0.00 0.00 174.94 173.60 3b9k s TYR 90 N 1.67 3.14 0.08 3.97 1.51 0.71 -0.42 117.35 128.02 3b9k s TYR 90 Ca 0.42 -0.43 -0.02 0.00 -1.01 0.00 0.00 57.07 56.02 3b9k s TYR 90 Cb -0.18 -2.30 -0.05 0.00 -0.11 0.00 0.00 41.96 39.33 3b9k s TYR 90 CO 0.17 -0.38 0.27 -0.06 -1.11 0.00 0.00 175.55 174.44 3b9k s PHE 91 N 1.63 3.51 0.03 2.71 0.08 0.67 -1.74 117.98 124.86 3b9k s PHE 91 Ca 0.06 0.38 0.05 0.00 0.12 0.00 0.00 56.93 57.53 3b9k s PHE 91 Cb -0.16 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 3b9k s PHE 91 CO 0.05 0.54 -0.11 0.00 -0.10 0.00 0.00 175.22 175.61 3b9k s THR 93 N -1.01 0.11 0.17 0.00 2.01 -0.04 -0.60 115.64 116.29 3b9k s THR 93 Ca 0.17 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.14 3b9k s THR 93 Cb -0.11 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 3b9k s THR 93 CO 0.08 0.00 0.15 -0.55 -0.69 0.00 0.00 174.62 173.61 3b9k s SER 94 N -3.28 0.18 -0.70 3.53 0.15 -1.04 0.29 113.70 112.83 3b9k s SER 94 Ca 0.39 -1.22 0.01 0.00 0.70 0.00 0.00 55.95 55.82 3b9k s SER 94 Cb 0.05 0.37 0.17 0.00 -1.71 0.00 0.00 66.02 64.91 3b9k s SER 94 CO 0.17 -0.83 0.52 0.54 1.20 0.00 0.00 173.24 174.84 3b9k s ASN 95 N -3.08 5.17 -0.06 5.45 4.22 -1.26 -2.13 114.94 123.24 3b9k s ASN 95 Ca 0.29 -3.40 -0.06 0.00 -2.14 0.00 0.00 52.86 47.56 3b9k s ASN 95 Cb 0.06 -1.77 -0.03 0.00 1.28 0.00 0.00 41.25 40.79 3b9k s ASN 95 CO 0.06 -0.21 0.27 -0.09 -2.04 0.00 0.00 177.10 175.09 3b9k h ARG 96 N 6.21 -0.20 -0.23 3.55 2.43 -1.93 -3.39 114.38 120.82 3b9k h ARG 96 Ca 0.06 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3b9k h ARG 96 Cb 0.85 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3b9k h ARG 96 CO 0.75 -0.13 0.00 0.39 -1.51 0.00 0.00 179.97 179.46 3b9k n GLU 97 N -4.48 1.89 -2.50 0.20 1.02 -1.26 -4.99 120.64 110.51 3b9k n GLU 97 Ca -0.03 -1.77 -0.06 0.00 -0.02 0.00 0.00 57.16 55.28 3b9k n GLU 97 Cb 0.08 -1.31 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 3b9k n GLU 97 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3b9k n SER 98 N 0.82 -0.50 -0.09 1.62 7.64 -1.26 -5.06 113.62 116.79 3b9k n SER 98 Ca 0.12 -1.72 0.08 0.00 1.01 0.00 0.00 58.87 58.35 3b9k n SER 98 Cb 0.42 0.93 -0.07 0.00 -1.01 0.00 0.00 64.21 64.48 3b9k n SER 98 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3b9k n TYR 99 N -0.22 0.00 -2.30 1.43 4.01 -1.26 -4.75 117.16 114.07 3b9k n TYR 99 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 3b9k n TYR 99 Cb 0.22 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.31 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 -2.37 2.96 -0.48 -0.72 1.13 -1.26 -4.97 117.35 111.64 3b9k s TYR 100 Ca 0.08 0.40 -0.27 0.00 -1.41 0.00 0.00 57.07 55.87 3b9k s TYR 100 Cb 0.12 -3.05 0.03 0.00 -1.10 0.00 0.00 41.96 37.96 3b9k s TYR 100 CO 0.60 -1.23 1.03 -0.06 -2.51 0.00 0.00 175.55 173.38 3b9k s PHE 100 N -3.13 2.86 -0.13 -3.49 0.08 -1.26 -4.40 117.98 108.51 3b9k s PHE 100 Ca 0.59 0.52 0.03 0.00 0.12 0.00 0.00 56.93 58.18 3b9k s PHE 100 Cb -0.11 -4.21 -0.04 0.00 -0.57 0.00 0.00 43.02 38.10 3b9k s PHE 100 CO 0.44 -1.21 0.12 -0.40 -0.10 0.00 0.00 175.22 174.07 3b9k n ASP 101 N 7.53 0.65 -4.04 1.36 5.75 -0.91 -4.96 116.55 121.94 3b9k n ASP 101 Ca 0.09 -0.50 -0.22 0.00 -0.01 0.00 0.00 54.79 54.15 3b9k n ASP 101 Cb 0.49 1.02 -0.16 0.00 -1.03 0.00 0.00 41.12 41.44 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 -1.40 1.13 0.10 2.11 1.51 -1.25 -4.99 117.35 114.56 3b9k s TYR 102 Ca 0.01 -0.29 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 3b9k s TYR 102 Cb 0.02 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 3b9k s TYR 102 CO 0.13 -0.10 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.76 3b9k s TRP 103 N 0.11 1.20 0.00 2.71 0.52 -1.26 -2.49 118.94 119.72 3b9k s TRP 103 Ca -0.02 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 55.51 3b9k s TRP 103 Cb -0.09 -0.65 0.00 0.00 -1.15 0.00 0.00 33.47 31.59 3b9k s TRP 103 CO 0.01 0.06 0.00 0.41 0.02 0.00 0.00 176.95 177.45 3b9k n GLY 104 N 0.67 -1.40 0.16 0.98 0.00 0.24 -4.48 105.19 101.36 3b9k n GLY 104 Ca -0.17 -1.61 0.08 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 -0.99 1.52 0.00 1.61 10.64 -1.26 -4.88 117.38 124.02 3b9k n GLN 105 Ca 0.00 -0.34 0.00 0.00 -1.83 0.00 0.00 57.00 54.83 3b9k n GLN 105 Cb 0.00 -1.30 0.00 0.00 -0.86 0.00 0.00 30.24 28.08 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 1.32 -1.18 2.79 2.61 0.00 -1.26 -5.03 105.19 104.43 3b9k n GLY 106 Ca 0.05 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.28 0.04 0.03 2.61 -1.32 -0.71 -4.89 115.64 108.12 3b9k s THR 107 Ca 0.00 0.17 -0.24 0.00 -1.21 0.00 0.00 61.69 60.41 3b9k s THR 107 Cb 0.00 -0.16 -0.05 0.00 -1.51 0.00 0.00 72.50 70.77 3b9k s THR 107 CO 0.00 0.12 0.73 -0.32 -2.21 0.00 0.00 174.62 172.94 3b9k s MET 108 N 1.09 4.46 -0.10 7.08 0.00 -1.26 -0.21 119.30 130.36 3b9k s MET 108 Ca -0.09 1.00 0.02 0.00 0.00 0.00 0.00 55.69 56.62 3b9k s MET 108 Cb -0.13 -3.36 0.01 0.00 0.00 0.00 0.00 34.83 31.35 3b9k s MET 108 CO -0.02 0.30 -0.15 0.08 0.00 0.00 0.00 175.02 175.22 3b9k s VAL 109 N -0.07 1.45 -0.07 10.11 1.01 0.28 -4.37 120.40 128.74 3b9k s VAL 109 Ca 0.37 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3b9k s VAL 109 Cb -0.20 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3b9k s VAL 109 CO 0.22 0.43 -0.16 -0.89 0.00 0.00 0.00 175.10 174.70 3b9k s THR 110 N 0.86 2.86 -0.34 3.92 2.01 -0.32 -1.15 115.64 123.48 3b9k s THR 110 Ca -0.10 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 3b9k s THR 110 Cb -0.15 -2.12 0.05 0.00 0.01 0.00 0.00 72.50 70.28 3b9k s THR 110 CO 0.01 0.57 0.09 -0.69 -0.69 0.00 0.00 174.62 173.91 3b9k s VAL 111 N -0.36 3.56 0.14 3.82 1.01 -1.26 -1.24 120.40 126.07 3b9k s VAL 111 Ca 0.03 -1.26 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 3b9k s VAL 111 Cb -0.12 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.23 3b9k s VAL 111 CO 0.02 -0.20 0.40 -0.55 0.00 0.00 0.00 175.10 174.77 3b9k s SER 112 N 1.42 -0.18 -0.07 3.32 0.15 -1.07 -4.74 113.70 112.54 3b9k s SER 112 Ca -0.02 -0.46 0.10 0.00 0.70 0.00 0.00 55.95 56.27 3b9k s SER 112 Cb -0.20 0.48 0.15 0.00 -1.71 0.00 0.00 66.02 64.75 3b9k s SER 112 CO 0.01 -0.90 1.08 -1.54 1.20 0.00 0.00 173.24 173.10 3b9k n SER 113 N -0.24 2.22 -4.74 5.45 3.41 -1.26 -3.74 113.62 114.72 3b9k n SER 113 Ca -0.13 -2.54 -0.36 0.00 -0.26 0.00 0.00 58.87 55.58 3b9k n SER 113 Cb 0.63 -0.22 0.06 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.93 2.38 0.23 7.33 0.00 -1.26 -5.05 121.76 123.47 3b9k s ALA 114 Ca 0.16 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.19 3b9k s ALA 114 Cb 0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3b9k s ALA 114 CO 0.02 -1.49 0.39 1.14 0.00 0.00 0.00 175.76 175.82 3b9k s GLN 115 N -3.49 3.48 0.08 0.00 -2.07 -1.26 -5.03 119.66 111.36 3b9k s GLN 115 Ca 0.79 -0.49 -0.32 0.00 -1.82 0.00 0.00 55.36 53.52 3b9k s GLN 115 Cb -0.33 -2.84 -0.11 0.00 -1.09 0.00 0.00 33.01 28.65 3b9k s GLN 115 CO 0.38 0.38 1.85 2.41 -1.32 0.00 0.00 175.29 178.99 3b9k n THR 116 N -1.04 0.44 -3.67 3.63 -1.04 -1.25 -4.61 114.28 106.73 3b9k n THR 116 Ca -0.06 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.05 61.71 3b9k n THR 116 Cb 0.55 -2.07 -0.15 0.00 -1.82 0.00 0.00 70.33 66.84 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 3.10 -0.25 0.45 12.58 2.01 0.11 -4.96 115.64 128.68 3b9k s THR 117 Ca 0.85 0.34 -0.25 0.00 0.31 0.00 0.00 61.69 62.94 3b9k s THR 117 Cb -0.52 -0.30 -0.08 0.00 0.01 0.00 0.00 72.50 71.61 3b9k s THR 117 CO 0.41 0.14 1.33 0.00 -0.69 0.00 0.00 174.62 175.80 3b9k s ALA 118 N 2.20 3.13 0.82 7.40 0.00 -1.26 -1.88 121.76 132.17 3b9k s ALA 118 Ca 0.02 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 3b9k s ALA 118 Cb -0.12 -3.52 0.08 0.00 0.00 0.00 0.00 23.12 19.57 3b9k s ALA 118 CO -0.06 -1.01 1.09 -1.25 0.00 0.00 0.00 175.76 174.53 3b9k s PRO 119 N -2.49 1.88 -0.18 0.00 0.04 -1.26 -4.56 135.00 128.43 3b9k s PRO 119 Ca 0.62 0.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 3b9k s PRO 119 Cb -0.39 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 3b9k s PRO 119 CO 0.49 -1.79 -0.04 -1.12 0.04 0.00 0.00 177.00 174.57 3b9k s SER 120 N -3.69 4.61 -0.21 6.66 0.01 0.75 -4.91 113.70 116.91 3b9k s SER 120 Ca 0.61 -0.22 -0.07 0.00 1.31 0.00 0.00 55.95 57.58 3b9k s SER 120 Cb -0.16 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 3b9k s SER 120 CO 0.55 0.11 0.05 -0.69 0.41 0.00 0.00 173.24 173.67 3b9k s VAL 121 N 0.73 4.43 -0.05 3.43 1.01 -1.26 0.36 120.40 129.05 3b9k s VAL 121 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3b9k s VAL 121 Cb -0.15 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3b9k s VAL 121 CO 0.02 0.40 -0.11 -0.31 0.00 0.00 0.00 175.10 175.10 3b9k s TYR 122 N 1.01 1.26 0.79 5.22 2.02 -0.15 -4.98 117.35 122.53 3b9k s TYR 122 Ca 0.04 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.18 3b9k s TYR 122 Cb -0.14 -0.92 -0.07 0.00 -0.40 0.00 0.00 41.96 40.43 3b9k s TYR 122 CO 0.03 -0.20 0.08 -2.30 -1.57 0.00 0.00 175.55 171.59 3b9k n PRO 123 N 3.58 0.07 -3.68 -1.71 -0.02 -1.26 -0.31 135.00 131.67 3b9k n PRO 123 Ca -0.21 0.05 -0.28 0.00 -2.02 0.00 0.00 63.50 61.04 3b9k n PRO 123 Cb 0.53 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 3b9k n PRO 123 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3b9k s LEU 124 N 2.48 1.12 0.16 2.45 1.43 -0.52 -4.58 118.68 121.22 3b9k s LEU 124 Ca 0.56 -1.01 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3b9k s LEU 124 Cb -0.31 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 3b9k s LEU 124 CO 0.67 -0.35 -0.15 0.00 0.23 0.00 0.00 176.35 176.75 3b9k s ALA 125 N 1.90 1.78 1.02 4.21 0.00 -1.26 -1.83 121.76 127.58 3b9k s ALA 125 Ca 0.03 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.36 3b9k s ALA 125 Cb -0.17 -0.09 0.09 0.00 0.00 0.00 0.00 23.12 22.95 3b9k s ALA 125 CO -0.16 0.09 0.40 -2.30 0.00 0.00 0.00 175.76 173.79 3b9k n PRO 126 N 0.07 -0.86 0.00 0.00 -0.02 -1.26 -5.00 135.00 127.92 3b9k n PRO 126 Ca -0.12 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 3b9k n PRO 126 Cb 0.59 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 1.50 0.37 3.40 -1.23 0.00 -1.26 -4.81 105.19 103.17 3b9k n GLY 127 Ca 0.05 0.37 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.75 -0.18 3.85 0.00 0.00 -1.26 -4.98 105.19 101.86 3b9k n GLY 129 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.09 6.78 -0.46 1.61 -4.77 -0.34 -5.05 116.67 112.34 3b9k s ASP 130 Ca 0.00 1.26 -0.23 0.00 -3.30 0.00 0.00 52.55 50.28 3b9k s ASP 130 Cb 0.00 -2.36 0.03 0.00 -1.09 0.00 0.00 42.92 39.49 3b9k s ASP 130 CO 0.00 -0.17 0.81 -0.89 0.70 0.00 0.00 175.17 175.62 3b9k s THR 133 N -1.93 4.61 0.48 2.11 2.01 -1.26 -4.89 115.64 116.77 3b9k s THR 133 Ca 0.53 0.42 -0.21 0.00 0.31 0.00 0.00 61.69 62.73 3b9k s THR 133 Cb -0.11 -4.35 -0.10 0.00 0.01 0.00 0.00 72.50 67.95 3b9k s THR 133 CO 0.18 -0.77 0.77 0.41 -0.69 0.00 0.00 174.62 174.51 3b9k n THR 134 N 6.16 2.43 -3.08 -0.82 -1.04 -1.26 -5.03 114.28 111.64 3b9k n THR 134 Ca 0.02 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.05 61.34 3b9k n THR 134 Cb 0.48 -0.88 0.04 0.00 -1.82 0.00 0.00 70.33 68.14 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 -0.98 5.28 0.34 8.00 1.04 -1.26 -5.03 113.70 121.10 3b9k s SER 135 Ca 0.67 -0.70 0.11 0.00 0.48 0.00 0.00 55.95 56.51 3b9k s SER 135 Cb -0.52 -0.08 0.92 0.00 0.10 0.00 0.00 66.02 66.44 3b9k s SER 135 CO 0.55 -1.09 1.76 0.77 0.98 0.00 0.00 173.24 176.20 3b9k h SER 136 N 0.40 0.63 -3.65 7.02 4.64 -1.98 -3.37 113.55 117.24 3b9k h SER 136 Ca -0.34 0.11 -0.67 0.00 -0.47 0.00 0.00 61.79 60.41 3b9k h SER 136 Cb 1.29 0.01 -0.19 0.00 -0.31 0.00 0.00 62.40 63.19 3b9k h SER 136 CO 0.44 0.14 -0.81 0.42 -0.87 0.00 0.00 176.83 176.15 3b9k s THR 137 N -5.70 2.70 -0.02 2.95 -4.23 -1.26 -4.63 115.64 105.45 3b9k s THR 137 Ca -0.10 -1.62 0.07 0.00 -1.18 0.00 0.00 61.69 58.86 3b9k s THR 137 Cb 0.26 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 3b9k s THR 137 CO 0.80 0.06 -0.23 -0.69 -0.54 0.00 0.00 174.62 174.01 3b9k s VAL 138 N -1.22 1.84 -0.18 2.29 1.01 -0.98 -5.01 120.40 118.15 3b9k s VAL 138 Ca 0.18 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 3b9k s VAL 138 Cb -0.10 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3b9k s VAL 138 CO 0.10 0.51 0.23 -0.89 0.00 0.00 0.00 175.10 175.04 3b9k s THR 139 N -0.56 5.35 0.15 3.92 2.01 -1.26 -2.58 115.64 122.66 3b9k s THR 139 Ca 0.09 0.40 0.09 0.00 0.31 0.00 0.00 61.69 62.58 3b9k s THR 139 Cb -0.09 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3b9k s THR 139 CO -0.01 0.40 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.36 3b9k s LEU 140 N 0.47 2.38 0.00 4.42 1.43 -0.83 -4.61 118.68 121.94 3b9k s LEU 140 Ca 0.13 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 3b9k s LEU 140 Cb -0.12 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 3b9k s LEU 140 CO 0.02 0.04 0.24 0.61 0.23 0.00 0.00 176.35 177.48 3b9k n GLY 141 N 0.60 3.02 3.00 -3.19 0.00 -0.76 -0.75 105.19 107.11 3b9k n GLY 141 Ca -0.16 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 3b9k n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b9k s LEU 143 N 0.46 4.80 -0.41 0.00 2.96 0.58 -2.08 118.68 124.99 3b9k s LEU 143 Ca -0.03 -1.20 -0.18 0.00 -0.22 0.00 0.00 54.13 52.50 3b9k s LEU 143 Cb -0.05 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3b9k s LEU 143 CO -0.02 -0.43 0.49 -0.69 -1.32 0.00 0.00 176.35 174.38 3b9k s VAL 144 N 1.48 5.03 -0.05 1.68 1.01 -0.07 -0.97 120.40 128.51 3b9k s VAL 144 Ca 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3b9k s VAL 144 Cb -0.21 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3b9k s VAL 144 CO 0.04 -0.41 -0.15 -0.75 0.00 0.00 0.00 175.10 173.83 3b9k s LYS 145 N 2.31 1.78 0.00 2.72 2.20 0.16 -0.83 119.74 128.08 3b9k s LYS 145 Ca 0.15 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 3b9k s LYS 145 Cb -0.16 -1.49 0.00 0.00 -1.51 0.00 0.00 37.83 34.66 3b9k s LYS 145 CO 0.15 0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.69 3b9k n GLY 146 N 3.44 0.82 3.61 5.54 0.00 0.25 -0.18 105.19 118.67 3b9k n GLY 146 Ca -0.20 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.61 2.63 -0.29 1.61 -0.85 0.89 -4.32 117.35 114.40 3b9k s TYR 147 Ca 0.00 -0.24 -0.24 0.00 -0.52 0.00 0.00 57.07 56.07 3b9k s TYR 147 Cb 0.00 -1.18 0.15 0.00 0.38 0.00 0.00 41.96 41.30 3b9k s TYR 147 CO 0.00 0.61 1.16 0.12 -1.52 0.00 0.00 175.55 175.92 3b9k s PHE 148 N -2.23 -0.35 0.85 -3.49 2.19 -0.78 0.05 117.98 114.21 3b9k s PHE 148 Ca 0.30 0.83 -0.08 0.00 0.33 0.00 0.00 56.93 58.31 3b9k s PHE 148 Cb -0.07 0.39 0.17 0.00 -1.31 0.00 0.00 43.02 42.21 3b9k s PHE 148 CO 0.18 -0.17 1.17 -1.25 1.83 0.00 0.00 175.22 176.98 3b9k s PRO 149 N 0.23 1.10 0.89 10.12 0.04 -1.26 0.05 135.00 146.17 3b9k s PRO 149 Ca 0.04 -0.81 -0.11 0.00 0.04 0.00 0.00 61.00 60.16 3b9k s PRO 149 Cb -0.05 -2.09 0.13 0.00 0.04 0.00 0.00 34.50 32.53 3b9k s PRO 149 CO -0.10 -1.97 1.09 -1.21 0.04 0.00 0.00 177.00 174.86 3b9k s GLU 150 N -5.53 1.31 0.62 4.56 2.02 -1.26 -4.85 118.70 115.57 3b9k s GLU 150 Ca 0.71 0.88 0.08 0.00 0.02 0.00 0.00 54.97 56.66 3b9k s GLU 150 Cb -0.04 -1.81 0.11 0.00 0.10 0.00 0.00 34.13 32.49 3b9k s GLU 150 CO 0.49 -2.22 0.86 -1.25 0.02 0.00 0.00 175.26 173.16 3b9k s PRO 151 N -4.91 2.10 0.01 0.39 0.04 -1.26 -4.95 135.00 126.42 3b9k s PRO 151 Ca 0.63 -1.61 0.02 0.00 0.04 0.00 0.00 61.00 60.09 3b9k s PRO 151 Cb -0.18 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 3b9k s PRO 151 CO 0.57 -1.06 -0.08 0.08 0.04 0.00 0.00 177.00 176.56 3b9k s VAL 152 N -2.80 0.58 -0.08 -0.36 1.01 -1.26 -4.41 120.40 113.08 3b9k s VAL 152 Ca 0.64 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3b9k s VAL 152 Cb -0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3b9k s VAL 152 CO 0.41 0.02 -0.09 0.42 0.00 0.00 0.00 175.10 175.86 3b9k s THR 153 N -0.48 3.47 -0.12 3.92 -4.23 -0.49 -4.97 115.64 112.75 3b9k s THR 153 Ca -0.00 -0.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 3b9k s THR 153 Cb -0.05 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.38 3b9k s THR 153 CO 0.00 0.57 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.76 3b9k s VAL 154 N -0.45 1.88 0.10 2.29 1.01 -1.25 -0.71 120.40 123.26 3b9k s VAL 154 Ca 0.06 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3b9k s VAL 154 Cb -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3b9k s VAL 154 CO 0.02 0.52 -0.14 0.42 0.00 0.00 0.00 175.10 175.92 3b9k s THR 156 N 0.70 1.22 -0.23 3.92 -4.23 0.19 -4.94 115.64 112.27 3b9k s THR 156 Ca -0.11 -1.57 -0.08 0.00 -1.18 0.00 0.00 61.69 58.75 3b9k s THR 156 Cb -0.16 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 3b9k s THR 156 CO 0.02 -0.36 0.09 0.26 -0.54 0.00 0.00 174.62 174.09 3b9k s TRP 157 N -1.86 3.16 -0.97 3.99 0.52 -1.26 0.23 118.94 122.75 3b9k s TRP 157 Ca 0.05 -0.17 -0.12 0.00 0.02 0.00 0.00 56.10 55.88 3b9k s TRP 157 Cb -0.06 -2.21 -0.00 0.00 -1.15 0.00 0.00 33.47 30.04 3b9k s TRP 157 CO 0.02 -0.16 0.72 0.09 0.02 0.00 0.00 176.95 177.64 3b9k n ASN 160 N 4.51 -5.68 -1.38 2.95 3.02 0.23 -1.60 115.26 117.31 3b9k n ASN 160 Ca -0.16 -0.82 -0.08 0.00 -0.03 0.00 0.00 54.58 53.49 3b9k n ASN 160 Cb 0.52 -3.23 -0.03 0.00 -0.61 0.00 0.00 39.78 36.43 3b9k n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3b9k n SER 161 N -2.44 -2.22 0.00 6.41 7.64 -1.26 -0.10 113.62 121.65 3b9k n SER 161 Ca -0.14 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3b9k n SER 161 Cb 0.60 -2.23 0.00 0.00 -1.01 0.00 0.00 64.21 61.57 3b9k n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3b9k n GLY 162 N -0.22 0.87 0.26 0.23 0.00 -0.63 -4.92 105.19 100.79 3b9k n GLY 162 Ca -0.08 0.00 -0.09 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 0.71 -2.39 4.61 0.00 -0.53 -3.37 119.26 118.30 3b9k h ALA 163 Ca 0.00 -0.23 -0.61 0.00 0.00 0.00 0.00 54.91 54.07 3b9k h ALA 163 Cb 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 17.47 3b9k h ALA 163 CO 0.00 0.43 0.23 -1.17 0.00 0.00 0.00 179.25 178.74 3b9k s LEU 164 N -9.56 4.09 -0.40 0.00 2.96 -1.15 -4.90 118.68 109.72 3b9k s LEU 164 Ca -0.13 0.64 0.09 0.00 -0.22 0.00 0.00 54.13 54.51 3b9k s LEU 164 Cb 0.12 -2.92 0.38 0.00 0.50 0.00 0.00 46.19 44.27 3b9k s LEU 164 CO 0.81 -0.47 1.33 -1.54 -1.32 0.00 0.00 176.35 175.17 3b9k n SER 165 N 5.89 -1.94 -3.91 3.68 3.41 -1.26 -4.15 113.62 115.33 3b9k n SER 165 Ca 0.01 -2.57 -0.26 0.00 -0.26 0.00 0.00 58.87 55.78 3b9k n SER 165 Cb 0.49 1.11 -0.17 0.00 -0.26 0.00 0.00 64.21 65.37 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 -1.20 2.07 -1.09 4.04 0.15 -1.26 -4.67 113.70 111.74 3b9k s SER 166 Ca 0.22 -0.29 -0.05 0.00 0.70 0.00 0.00 55.95 56.53 3b9k s SER 166 Cb 0.39 -0.81 0.04 0.00 -1.71 0.00 0.00 66.02 63.92 3b9k s SER 166 CO -0.09 -0.11 0.26 0.47 1.20 0.00 0.00 173.24 174.97 3b9k n ASP 167 N 4.81 -3.59 -4.71 5.45 8.00 -1.26 -3.70 116.55 121.55 3b9k n ASP 167 Ca -0.14 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 54.86 3b9k n ASP 167 Cb 0.50 -3.02 -0.03 0.00 -0.02 0.00 0.00 41.12 38.55 3b9k n ASP 167 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3b9k s VAL 171 N -2.73 3.73 -0.08 2.53 1.01 -1.26 -3.72 120.40 119.88 3b9k s VAL 171 Ca 0.21 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.43 3b9k s VAL 171 Cb -0.11 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.50 3b9k s VAL 171 CO 0.25 0.07 -0.17 -1.00 0.00 0.00 0.00 175.10 174.26 3b9k s HIS 172 N 1.38 1.90 -0.09 5.22 3.76 -0.95 -4.98 115.29 121.53 3b9k s HIS 172 Ca 0.61 -0.74 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 3b9k s HIS 172 Cb -0.32 -1.33 -0.02 0.00 1.11 0.00 0.00 32.58 32.03 3b9k s HIS 172 CO 0.29 -0.33 -0.17 -0.08 -0.85 0.00 0.00 174.74 173.59 3b9k s THR 173 N 0.53 2.71 0.24 1.30 -1.32 -1.26 -0.32 115.64 117.51 3b9k s THR 173 Ca -0.16 -0.81 0.07 0.00 -1.21 0.00 0.00 61.69 59.57 3b9k s THR 173 Cb -0.17 -2.07 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 3b9k s THR 173 CO 0.06 0.56 0.21 -0.36 -2.21 0.00 0.00 174.62 172.87 3b9k s PHE 174 N -0.06 3.16 0.21 9.09 0.40 -0.07 -4.99 117.98 125.72 3b9k s PHE 174 Ca -0.04 -0.09 -0.31 0.00 -0.60 0.00 0.00 56.93 55.89 3b9k s PHE 174 Cb -0.14 -1.44 -0.10 0.00 0.51 0.00 0.00 43.02 41.85 3b9k s PHE 174 CO 0.04 0.51 1.51 -2.14 0.70 0.00 0.00 175.22 175.84 3b9k s PRO 175 N -3.76 4.23 0.43 0.24 0.02 -1.26 -4.54 135.00 130.36 3b9k s PRO 175 Ca 0.33 2.34 -0.22 0.00 0.02 0.00 0.00 61.00 63.46 3b9k s PRO 175 Cb -0.08 -3.13 -0.12 0.00 0.02 0.00 0.00 34.50 31.19 3b9k s PRO 175 CO 0.25 -0.52 0.61 0.00 -0.33 0.00 0.00 177.00 177.01 3b9k n ALA 176 N 3.17 -1.24 -2.55 -1.55 0.00 -1.26 -4.87 120.51 112.21 3b9k n ALA 176 Ca 0.10 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 3b9k n ALA 176 Cb 0.39 -1.82 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 3b9k n ALA 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3b9k s VAL 177 N -1.45 3.24 -0.39 0.00 1.01 0.15 -4.92 120.40 118.03 3b9k s VAL 177 Ca 0.64 -1.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3b9k s VAL 177 Cb -0.59 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.36 3b9k s VAL 177 CO 0.58 0.13 0.21 -0.22 0.00 0.00 0.00 175.10 175.80 3b9k s LEU 178 N -2.12 4.89 -0.06 3.92 2.96 -1.26 -1.65 118.68 125.36 3b9k s LEU 178 Ca 0.20 -1.34 -0.01 0.00 -0.22 0.00 0.00 54.13 52.76 3b9k s LEU 178 Cb -0.11 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 3b9k s LEU 178 CO 0.12 -0.46 0.07 1.56 -1.32 0.00 0.00 176.35 176.32 3b9k h GLN 179 N 8.36 -0.04 -0.72 1.98 4.20 -1.22 -3.44 115.11 124.24 3b9k h GLN 179 Ca -0.23 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.15 3b9k h GLN 179 Cb 1.09 0.01 -0.23 0.00 0.30 0.00 0.00 27.48 28.64 3b9k h GLN 179 CO 0.71 -0.03 -0.71 0.45 -0.67 0.00 0.00 178.83 178.58 3b9k n SER 180 N -3.69 -1.52 0.00 1.46 2.88 -1.26 -4.88 113.62 106.60 3b9k n SER 180 Ca -0.01 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 3b9k n SER 180 Cb 0.02 0.98 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 3b9k n SER 180 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3b9k n GLY 185 N 0.99 3.22 3.67 0.46 0.00 -1.26 -5.02 105.19 107.24 3b9k n GLY 185 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 3.44 0.27 0.99 1.43 -1.26 -4.81 118.68 118.74 3b9k s LEU 186 Ca 0.00 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3b9k s LEU 186 Cb 0.00 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3b9k s LEU 186 CO 0.00 0.23 0.45 -0.31 0.23 0.00 0.00 176.35 176.95 3b9k s TYR 187 N -1.19 3.48 -0.27 0.29 2.02 0.11 -0.60 117.35 121.20 3b9k s TYR 187 Ca 0.22 0.29 -0.11 0.00 -0.37 0.00 0.00 57.07 57.11 3b9k s TYR 187 Cb -0.12 -1.83 0.11 0.00 -0.40 0.00 0.00 41.96 39.72 3b9k s TYR 187 CO 0.14 0.28 0.59 0.99 -1.57 0.00 0.00 175.55 175.99 3b9k s THR 188 N -2.07 -0.63 0.15 -0.71 2.01 -0.66 -0.08 115.64 113.65 3b9k s THR 188 Ca 0.38 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 3b9k s THR 188 Cb -0.10 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3b9k s THR 188 CO 0.32 0.02 0.09 -1.48 -0.69 0.00 0.00 174.62 172.87 3b9k s LEU 189 N 2.45 1.57 0.16 4.42 0.05 -0.01 0.30 118.68 127.63 3b9k s LEU 189 Ca -0.06 -1.24 0.06 0.00 0.05 0.00 0.00 54.13 52.94 3b9k s LEU 189 Cb -0.10 0.36 -0.04 0.00 -2.05 0.00 0.00 46.19 44.36 3b9k s LEU 189 CO -0.17 -0.77 -0.13 0.42 -0.55 0.00 0.00 176.35 175.15 3b9k s THR 190 N -4.07 1.45 0.00 5.48 -4.23 -1.26 -0.89 115.64 112.12 3b9k s THR 190 Ca 0.28 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.76 3b9k s THR 190 Cb 0.07 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 3b9k s THR 190 CO 0.04 -0.60 -0.06 -0.55 -0.54 0.00 0.00 174.62 172.92 3b9k s SER 191 N -3.06 0.65 0.48 3.99 0.15 -0.88 -0.89 113.70 114.13 3b9k s SER 191 Ca 0.17 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.71 3b9k s SER 191 Cb -0.01 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 3b9k s SER 191 CO 0.04 0.03 0.09 -0.94 1.20 0.00 0.00 173.24 173.66 3b9k s SER 192 N -0.30 4.19 -0.30 5.45 1.04 0.56 0.13 113.70 124.48 3b9k s SER 192 Ca 0.01 -1.44 -0.17 0.00 0.48 0.00 0.00 55.95 54.83 3b9k s SER 192 Cb -0.03 0.13 0.19 0.00 0.10 0.00 0.00 66.02 66.41 3b9k s SER 192 CO -0.00 -0.74 1.21 0.54 0.98 0.00 0.00 173.24 175.22 3b9k s VAL 193 N -2.78 0.00 0.08 5.02 0.11 0.07 -2.24 120.40 120.67 3b9k s VAL 193 Ca 0.22 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.22 3b9k s VAL 193 Cb 0.03 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 3b9k s VAL 193 CO 0.12 0.00 0.32 0.42 -3.33 0.00 0.00 175.10 172.63 3b9k s THR 194 N 0.97 5.24 -0.01 5.04 -4.23 -1.24 -1.96 115.64 119.45 3b9k s THR 194 Ca -0.06 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 3b9k s THR 194 Cb -0.03 -3.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.20 3b9k s THR 194 CO -0.11 0.18 0.03 -0.55 -0.54 0.00 0.00 174.62 173.62 3b9k s SER 195 N -2.16 0.01 0.18 3.99 0.15 -1.07 -4.79 113.70 110.01 3b9k s SER 195 Ca 0.35 -0.04 0.22 0.00 0.70 0.00 0.00 55.95 57.18 3b9k s SER 195 Cb -0.13 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.23 3b9k s SER 195 CO 0.22 -0.08 1.00 -1.54 1.20 0.00 0.00 173.24 174.04 3b9k n SER 196 N 2.75 0.81 -0.61 5.45 3.41 -1.26 -2.31 113.62 121.87 3b9k n SER 196 Ca -0.15 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 58.91 3b9k n SER 196 Cb 0.59 0.49 0.40 0.00 -0.26 0.00 0.00 64.21 65.43 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 -2.68 0.12 0.00 6.66 -2.24 -1.26 -4.76 114.28 110.12 3b9k n THR 197 Ca -0.01 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3b9k n THR 197 Cb 0.58 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3b9k n THR 197 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 3b9k n TRP 198 N 0.45 0.00 -0.18 4.78 -0.00 -1.26 -3.01 117.44 118.21 3b9k n TRP 198 Ca 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.63 3b9k n TRP 198 Cb 0.39 -0.49 -0.04 0.00 -0.00 0.00 0.00 31.31 31.17 3b9k n TRP 198 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3b9k n PRO 200 N -1.96 -0.19 0.19 5.87 -0.02 -1.26 0.15 135.00 137.78 3b9k n PRO 200 Ca 0.00 0.97 0.14 0.00 -2.02 0.00 0.00 63.50 62.58 3b9k n PRO 200 Cb 0.00 -1.43 0.67 0.00 -0.02 0.00 0.00 33.50 32.72 3b9k n PRO 200 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3b9k h SER 201 N 0.00 0.00 -5.12 2.55 0.02 -1.95 -3.42 113.55 105.63 3b9k h SER 201 Ca 0.07 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.45 3b9k h SER 201 Cb 0.18 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.63 3b9k h SER 201 CO -0.41 0.00 -0.37 0.00 -1.14 0.00 0.00 176.83 174.91 3b9k n GLN 202 N -2.48 0.84 -4.26 3.45 6.02 0.40 -5.14 117.38 116.21 3b9k n GLN 202 Ca -0.00 -3.28 -0.35 0.00 -0.01 0.00 0.00 57.00 53.37 3b9k n GLN 202 Cb 0.14 0.70 -0.10 0.00 1.02 0.00 0.00 30.24 32.00 3b9k n GLN 202 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3b9k s THR 204 N -2.59 4.40 -0.17 5.09 -4.23 -1.26 -4.79 115.64 112.08 3b9k s THR 204 Ca 0.10 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.41 3b9k s THR 204 Cb -0.01 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.93 3b9k s THR 204 CO 0.06 0.54 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.85 3b9k s VAL 205 N -0.27 2.65 -0.06 2.29 1.01 -1.26 -5.04 120.40 119.72 3b9k s VAL 205 Ca 0.06 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 3b9k s VAL 205 Cb -0.12 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.14 3b9k s VAL 205 CO 0.02 0.50 -0.02 -0.89 0.00 0.00 0.00 175.10 174.71 3b9k s THR 206 N 1.07 0.46 0.28 3.92 2.01 -1.26 -0.65 115.64 121.47 3b9k s THR 206 Ca -0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 3b9k s THR 206 Cb -0.14 -0.55 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 3b9k s THR 206 CO -0.04 0.24 0.88 0.00 -0.69 0.00 0.00 174.62 175.01 3b9k s ASN 208 N -1.55 4.52 -0.09 0.00 -0.87 0.63 -2.52 114.94 115.06 3b9k s ASN 208 Ca 0.46 -0.86 0.02 0.00 -1.57 0.00 0.00 52.86 50.92 3b9k s ASN 208 Cb -0.19 -1.71 -0.02 0.00 -0.02 0.00 0.00 41.25 39.31 3b9k s ASN 208 CO 0.24 -0.15 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.79 3b9k s VAL 210 N 1.36 3.04 -0.02 1.60 1.01 -0.29 -0.64 120.40 126.46 3b9k s VAL 210 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3b9k s VAL 210 Cb -0.17 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 3b9k s VAL 210 CO -0.03 0.56 -0.11 0.00 0.00 0.00 0.00 175.10 175.52 3b9k s ALA 211 N -0.21 0.99 -0.45 5.51 0.00 0.11 -0.63 121.76 127.08 3b9k s ALA 211 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.53 3b9k s ALA 211 Cb -0.13 -0.31 0.14 0.00 0.00 0.00 0.00 23.12 22.82 3b9k s ALA 211 CO 0.03 0.20 0.26 -1.58 0.00 0.00 0.00 175.76 174.67 3b9k s HIS 212 N -0.05 2.01 0.29 0.00 2.46 0.87 -1.40 115.29 119.47 3b9k s HIS 212 Ca 0.00 -2.46 0.02 0.00 0.47 0.00 0.00 55.06 53.09 3b9k s HIS 212 Cb -0.07 -1.87 0.70 0.00 -0.13 0.00 0.00 32.58 31.21 3b9k s HIS 212 CO 0.00 -0.77 1.66 -1.35 -2.47 0.00 0.00 174.74 171.81 3b9k h PRO 213 N 6.60 0.23 -0.73 2.88 0.11 -1.78 -1.88 132.00 137.43 3b9k h PRO 213 Ca 0.02 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3b9k h PRO 213 Cb 0.92 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 3b9k h PRO 213 CO 0.49 0.15 0.31 0.00 -0.21 0.00 0.00 178.00 178.75 3b9k h ALA 214 N 1.76 1.17 -0.02 -0.75 0.00 -1.88 -1.22 119.26 118.32 3b9k h ALA 214 Ca 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3b9k h ALA 214 Cb 1.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3b9k h ALA 214 CO -0.63 0.61 -0.01 -1.13 0.00 0.00 0.00 179.25 178.09 3b9k n SER 215 N -4.30 1.60 -3.69 0.00 3.41 -0.91 -4.94 113.62 104.79 3b9k n SER 215 Ca 0.07 -1.51 -0.25 0.00 -0.26 0.00 0.00 58.87 56.91 3b9k n SER 215 Cb 0.16 0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.23 -5.22 -4.28 4.04 7.64 -0.46 -4.97 113.62 110.61 3b9k n SER 216 Ca 0.18 -0.64 -0.31 0.00 1.01 0.00 0.00 58.87 59.11 3b9k n SER 216 Cb 0.37 -4.62 -0.16 0.00 -1.01 0.00 0.00 64.21 58.79 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 -3.34 2.07 -0.08 0.44 -4.23 -0.81 -5.01 115.64 104.68 3b9k s THR 217 Ca 0.53 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 3b9k s THR 217 Cb -0.25 -1.74 0.02 0.00 1.34 0.00 0.00 72.50 71.87 3b9k s THR 217 CO 0.77 0.57 -0.09 -0.54 -0.54 0.00 0.00 174.62 174.78 3b9k s LYS 218 N -0.22 1.50 0.03 3.99 1.02 -1.26 -0.09 119.74 124.71 3b9k s LYS 218 Ca -0.02 -0.31 0.05 0.00 0.02 0.00 0.00 55.97 55.71 3b9k s LYS 218 Cb -0.13 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.78 3b9k s LYS 218 CO 0.03 -0.09 -0.15 0.08 -0.92 0.00 0.00 175.35 174.31 3b9k s VAL 219 N 1.06 1.15 -0.09 3.17 1.01 0.20 -4.97 120.40 121.92 3b9k s VAL 219 Ca -0.07 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 60.99 3b9k s VAL 219 Cb -0.14 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3b9k s VAL 219 CO -0.01 0.09 -0.10 -1.81 0.00 0.00 0.00 175.10 173.28 3b9k s ASP 220 N -0.95 4.36 -0.11 3.32 1.01 -1.26 -1.14 116.67 121.90 3b9k s ASP 220 Ca 0.03 -0.16 0.02 0.00 0.71 0.00 0.00 52.55 53.16 3b9k s ASP 220 Cb -0.07 -1.30 0.01 0.00 1.01 0.00 0.00 42.92 42.57 3b9k s ASP 220 CO 0.01 0.28 -0.18 -0.54 0.21 0.00 0.00 175.17 174.94 3b9k s LYS 221 N -0.32 2.52 0.22 8.23 -0.14 -1.05 -5.01 119.74 124.20 3b9k s LYS 221 Ca 0.04 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 53.67 3b9k s LYS 221 Cb -0.13 -2.05 -0.09 0.00 -1.68 0.00 0.00 37.83 33.89 3b9k s LYS 221 CO 0.02 0.01 0.93 0.00 -0.76 0.00 0.00 175.35 175.55 3b9k s ALA 222 N 0.79 3.34 -0.33 5.17 0.00 -1.26 -1.59 121.76 127.88 3b9k s ALA 222 Ca -0.10 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.26 3b9k s ALA 222 Cb -0.16 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3b9k s ALA 222 CO 0.01 0.19 0.60 0.08 0.00 0.00 0.00 175.76 176.64 3b9k s VAL 223 N -1.05 4.95 0.18 0.00 1.01 0.17 -4.78 120.40 120.89 3b9k s VAL 223 Ca 0.41 0.68 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 3b9k s VAL 223 Cb -0.25 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 3b9k s VAL 223 CO 0.31 -0.19 0.42 -1.61 0.00 0.00 0.00 175.10 174.04 3b9k s GLU 229 N 2.58 3.62 0.00 2.72 0.41 -1.26 -4.64 118.70 122.12 3b9k s GLU 229 Ca 0.23 -0.09 0.10 0.00 -0.41 0.00 0.00 54.97 54.80 3b9k s GLU 229 Cb -0.15 -2.79 0.57 0.00 -1.78 0.00 0.00 34.13 29.98 3b9k s GLU 229 CO 0.13 0.40 1.02 0.00 -0.49 0.00 0.00 175.26 176.32