#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b9k s PRO 5 N 0.00 3.98 -0.04 0.00 0.02 -1.26 -4.70 135.00 133.00 3b9k s PRO 5 Ca 0.00 1.83 0.05 0.00 0.02 0.00 0.00 61.00 62.90 3b9k s PRO 5 Cb 0.00 -2.61 -0.01 0.00 0.02 0.00 0.00 34.50 31.90 3b9k s PRO 5 CO 0.00 -0.38 -0.17 -2.00 -0.33 0.00 0.00 177.00 174.12 3b9k s GLU 6 N -2.39 1.75 -0.34 5.54 2.12 -1.07 -4.99 118.70 119.32 3b9k s GLU 6 Ca 0.59 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 55.26 3b9k s GLU 6 Cb -0.30 -1.54 0.07 0.00 0.26 0.00 0.00 34.13 32.61 3b9k s GLU 6 CO 0.38 0.27 0.08 -0.51 -0.54 0.00 0.00 175.26 174.94 3b9k s LEU 7 N -0.04 4.40 -0.21 2.70 1.02 -1.26 -0.08 118.68 125.21 3b9k s LEU 7 Ca -0.02 -1.48 -0.13 0.00 0.02 0.00 0.00 54.13 52.52 3b9k s LEU 7 Cb -0.11 -1.78 -0.05 0.00 0.02 0.00 0.00 46.19 44.28 3b9k s LEU 7 CO 0.02 -0.36 0.27 -0.13 0.02 0.00 0.00 176.35 176.17 3b9k s ARG 8 N 1.25 4.16 -0.05 1.70 1.81 0.03 -4.32 118.95 123.53 3b9k s ARG 8 Ca -0.00 -0.02 0.04 0.00 -1.72 0.00 0.00 55.73 54.03 3b9k s ARG 8 Cb -0.21 -3.51 -0.02 0.00 -0.45 0.00 0.00 34.95 30.76 3b9k s ARG 8 CO -0.01 0.08 -0.17 -1.50 -0.68 0.00 0.00 175.30 173.02 3b9k s ILE 9 N 0.98 2.86 -0.00 1.52 2.07 -1.26 0.89 121.20 128.25 3b9k s ILE 9 Ca 0.14 -0.79 0.02 0.00 -1.41 0.00 0.00 60.65 58.60 3b9k s ILE 9 Cb -0.14 -2.11 -0.00 0.00 0.13 0.00 0.00 42.46 40.34 3b9k s ILE 9 CO 0.05 0.58 -0.06 -0.36 -1.91 0.00 0.00 174.94 173.24 3b9k s PHE 10 N -0.60 0.54 0.68 3.50 0.08 0.69 -4.02 117.98 118.86 3b9k s PHE 10 Ca 0.09 -0.10 -0.11 0.00 0.12 0.00 0.00 56.93 56.92 3b9k s PHE 10 Cb -0.11 -0.35 -0.00 0.00 -0.57 0.00 0.00 43.02 41.99 3b9k s PHE 10 CO 0.01 -0.01 1.06 -1.25 -0.10 0.00 0.00 175.22 174.93 3b9k s PRO 11 N -0.15 3.05 0.54 0.24 0.04 -1.26 -0.68 135.00 136.78 3b9k s PRO 11 Ca 0.02 0.71 0.28 0.00 0.04 0.00 0.00 61.00 62.05 3b9k s PRO 11 Cb -0.02 -2.02 1.54 0.00 0.04 0.00 0.00 34.50 34.03 3b9k s PRO 11 CO -0.00 -0.96 2.12 0.87 0.04 0.00 0.00 177.00 179.07 3b9k h LYS 12 N -0.60 0.00 -3.43 4.56 1.57 -1.99 -3.44 116.57 113.23 3b9k h LYS 12 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3b9k h LYS 12 Cb 1.22 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.45 3b9k h LYS 12 CO 0.61 0.09 -0.01 0.15 -0.57 0.00 0.00 179.45 179.72 3b9k s LYS 13 N -4.31 1.54 -0.17 3.15 1.02 -1.26 -4.54 119.74 115.18 3b9k s LYS 13 Ca -0.03 -1.10 -0.08 0.00 0.02 0.00 0.00 55.97 54.78 3b9k s LYS 13 Cb 0.14 0.51 0.06 0.00 -0.52 0.00 0.00 37.83 38.02 3b9k s LYS 13 CO 0.58 -0.66 0.39 1.41 -0.92 0.00 0.00 175.35 176.15 3b9k s MET 14 N -3.96 0.35 -0.77 1.68 -2.45 -0.70 -5.01 119.30 108.45 3b9k s MET 14 Ca 0.16 0.82 -0.09 0.00 -1.25 0.00 0.00 55.69 55.34 3b9k s MET 14 Cb -0.02 0.04 0.20 0.00 1.25 0.00 0.00 34.83 36.31 3b9k s MET 14 CO 0.05 -0.18 0.66 -0.51 1.05 0.00 0.00 175.02 176.09 3b9k s ASP 15 N 1.70 6.14 0.62 1.11 1.01 -1.26 -1.99 116.67 124.00 3b9k s ASP 15 Ca -0.07 -2.88 -0.06 0.00 0.71 0.00 0.00 52.55 50.24 3b9k s ASP 15 Cb -0.09 -2.05 0.02 0.00 1.01 0.00 0.00 42.92 41.81 3b9k s ASP 15 CO -0.12 -0.45 0.93 0.00 0.21 0.00 0.00 175.17 175.73 3b9k s ALA 16 N -0.12 3.29 0.28 5.23 0.00 -1.06 -4.24 121.76 125.14 3b9k s ALA 16 Ca 0.19 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.46 3b9k s ALA 16 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 3b9k s ALA 16 CO -0.07 -0.93 0.07 -1.21 0.00 0.00 0.00 175.76 173.62 3b9k s GLU 17 N -5.05 2.42 0.20 0.00 2.02 -1.26 0.72 118.70 117.76 3b9k s GLU 17 Ca 0.56 -1.39 -0.31 0.00 0.02 0.00 0.00 54.97 53.84 3b9k s GLU 17 Cb -0.11 -2.23 -0.11 0.00 0.10 0.00 0.00 34.13 31.78 3b9k s GLU 17 CO 0.45 0.30 1.63 -0.51 0.02 0.00 0.00 175.26 177.15 3b9k s LEU 18 N -3.75 4.37 0.00 1.80 1.43 -1.26 -2.97 118.68 118.30 3b9k s LEU 18 Ca 0.33 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.20 3b9k s LEU 18 Cb -0.06 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.56 3b9k s LEU 18 CO 0.21 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.52 3b9k n GLY 19 N 3.54 3.08 3.76 -3.19 0.00 0.04 -4.94 105.19 107.48 3b9k n GLY 19 Ca 0.14 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 3b9k n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3b9k s GLN 20 N 0.00 3.42 0.54 1.61 -2.07 -1.16 -3.36 119.66 118.64 3b9k s GLN 20 Ca 0.00 2.03 -0.20 0.00 -1.82 0.00 0.00 55.36 55.37 3b9k s GLN 20 Cb 0.00 -2.33 -0.06 0.00 -1.09 0.00 0.00 33.01 29.54 3b9k s GLN 20 CO 0.00 -0.90 1.14 0.21 -1.32 0.00 0.00 175.29 174.41 3b9k s LYS 21 N -2.81 3.37 -0.05 9.60 2.20 -1.19 -2.79 119.74 128.07 3b9k s LYS 21 Ca 0.68 1.64 -0.02 0.00 -0.36 0.00 0.00 55.97 57.90 3b9k s LYS 21 Cb -0.35 -2.04 0.03 0.00 -1.51 0.00 0.00 37.83 33.97 3b9k s LYS 21 CO 0.42 -0.84 0.08 0.08 -0.36 0.00 0.00 175.35 174.73 3b9k s VAL 22 N -1.74 -0.13 -0.22 4.02 1.01 -0.78 -4.99 120.40 117.57 3b9k s VAL 22 Ca 0.72 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.96 3b9k s VAL 22 Cb -0.25 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3b9k s VAL 22 CO 0.28 0.15 0.27 -1.81 0.00 0.00 0.00 175.10 173.99 3b9k s ASP 23 N 2.19 6.28 -0.27 3.32 1.01 -1.26 -1.19 116.67 126.76 3b9k s ASP 23 Ca 0.05 0.32 -0.01 0.00 0.71 0.00 0.00 52.55 53.62 3b9k s ASP 23 Cb -0.12 -2.17 0.04 0.00 1.01 0.00 0.00 42.92 41.68 3b9k s ASP 23 CO -0.04 0.01 -0.05 -0.76 0.21 0.00 0.00 175.17 174.54 3b9k s LEU 24 N 1.11 3.46 -0.17 1.23 1.43 0.70 -4.43 118.68 122.02 3b9k s LEU 24 Ca 0.13 -1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 52.08 3b9k s LEU 24 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3b9k s LEU 24 CO 0.06 -0.18 0.00 -0.69 0.23 0.00 0.00 176.35 175.77 3b9k s VAL 25 N 1.26 4.27 -0.07 -1.59 1.01 0.15 -0.05 120.40 125.39 3b9k s VAL 25 Ca -0.03 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3b9k s VAL 25 Cb -0.18 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3b9k s VAL 25 CO -0.04 0.48 -0.18 0.00 0.00 0.00 0.00 175.10 175.37 3b9k s GLU 27 N 0.30 2.74 -0.33 0.00 2.12 0.26 0.24 118.70 124.03 3b9k s GLU 27 Ca -0.11 -0.99 -0.16 0.00 0.36 0.00 0.00 54.97 54.07 3b9k s GLU 27 Cb -0.15 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 3b9k s GLU 27 CO 0.04 -0.33 0.40 0.08 -0.54 0.00 0.00 175.26 174.92 3b9k s VAL 28 N 1.23 5.14 0.38 3.70 1.01 -0.53 -0.79 120.40 130.54 3b9k s VAL 28 Ca 0.01 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.28 3b9k s VAL 28 Cb -0.15 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3b9k s VAL 28 CO -0.10 -0.07 0.31 -0.76 0.00 0.00 0.00 175.10 174.47 3b9k s LEU 29 N 2.11 3.44 0.19 3.92 1.43 0.88 -4.89 118.68 125.76 3b9k s LEU 29 Ca 0.14 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3b9k s LEU 29 Cb -0.16 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3b9k s LEU 29 CO 0.12 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.81 3b9k n GLY 30 N -1.42 -3.14 3.56 -3.19 0.00 -1.26 -2.60 105.19 97.14 3b9k n GLY 30 Ca 0.01 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 3b9k n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b9k s SER 31 N -3.99 4.19 0.16 1.61 0.15 -1.26 -4.84 113.70 109.72 3b9k s SER 31 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 3b9k s SER 31 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3b9k s SER 31 CO 0.00 -3.54 0.00 1.33 1.20 0.00 0.00 173.24 172.23 3b9k n VAL 32 N 8.51 0.00 0.08 4.45 0.24 -1.26 -4.71 118.33 125.64 3b9k n VAL 32 Ca 0.44 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.74 3b9k n VAL 32 Cb 0.45 -1.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 3b9k n VAL 32 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3b9k n SER 33 N -0.78 -0.59 -4.83 -1.34 2.88 -1.26 -5.14 113.62 102.56 3b9k n SER 33 Ca 0.00 0.29 -0.27 0.00 -1.33 0.00 0.00 58.87 57.56 3b9k n SER 33 Cb 0.00 0.70 -0.04 0.00 -0.75 0.00 0.00 64.21 64.12 3b9k n SER 33 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3b9k s GLN 34 N -2.00 2.25 0.00 -1.46 -0.21 -1.26 -4.85 119.66 112.13 3b9k s GLN 34 Ca 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 55.36 53.37 3b9k s GLN 34 Cb 0.00 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 32.03 3b9k s GLN 34 CO 0.00 -0.40 0.00 0.41 -2.12 0.00 0.00 175.29 173.18 3b9k n GLY 35 N -1.51 -1.67 3.48 3.09 0.00 -1.26 -4.60 105.19 102.71 3b9k n GLY 35 Ca -0.04 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3b9k n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b9k s SER 37 N 0.72 4.46 -0.13 0.00 0.01 -0.42 -1.31 113.70 117.02 3b9k s SER 37 Ca -0.03 -0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.07 3b9k s SER 37 Cb -0.05 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 3b9k s SER 37 CO -0.05 0.33 0.10 0.26 0.41 0.00 0.00 173.24 174.28 3b9k s TRP 38 N -0.59 3.43 0.08 2.43 0.52 0.13 -1.33 118.94 123.62 3b9k s TRP 38 Ca 0.09 0.36 0.04 0.00 0.02 0.00 0.00 56.10 56.61 3b9k s TRP 38 Cb -0.12 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.21 3b9k s TRP 38 CO 0.02 0.53 -0.11 -0.51 0.02 0.00 0.00 176.95 176.90 3b9k s LEU 39 N -0.59 2.34 0.04 2.99 1.43 -0.86 -0.45 118.68 123.58 3b9k s LEU 39 Ca 0.12 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3b9k s LEU 39 Cb -0.12 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 3b9k s LEU 39 CO 0.02 -0.19 0.01 0.72 0.23 0.00 0.00 176.35 177.14 3b9k s PHE 40 N -1.85 0.36 -0.22 0.29 -0.71 -0.75 -2.22 117.98 112.87 3b9k s PHE 40 Ca 0.00 -0.77 -0.06 0.00 -1.04 0.00 0.00 56.93 55.06 3b9k s PHE 40 Cb -0.07 -0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.45 3b9k s PHE 40 CO 0.01 -0.33 0.04 -0.65 -1.34 0.00 0.00 175.22 172.95 3b9k s GLN 41 N -2.92 3.65 -0.08 1.99 -0.21 0.06 -1.39 119.66 120.76 3b9k s GLN 41 Ca -0.02 -0.49 -0.30 0.00 0.02 0.00 0.00 55.36 54.57 3b9k s GLN 41 Cb 0.01 -3.21 -0.02 0.00 1.00 0.00 0.00 33.01 30.78 3b9k s GLN 41 CO -0.06 -0.08 1.09 1.21 -2.12 0.00 0.00 175.29 175.33 3b9k s ASN 42 N 1.29 7.16 0.08 5.90 3.84 -1.26 -1.98 114.94 129.97 3b9k s ASN 42 Ca 0.04 1.66 -0.01 0.00 0.21 0.00 0.00 52.86 54.76 3b9k s ASN 42 Cb -0.15 -2.56 -0.27 0.00 -0.55 0.00 0.00 41.25 37.73 3b9k s ASN 42 CO 0.02 -0.51 1.16 0.77 -2.79 0.00 0.00 177.10 175.76 3b9k h SER 43 N 7.25 0.32 -4.30 -4.21 4.64 -1.95 -3.42 113.55 111.88 3b9k h SER 43 Ca -0.32 -0.34 -0.49 0.00 -0.47 0.00 0.00 61.79 60.17 3b9k h SER 43 Cb 1.15 -0.10 0.11 0.00 -0.31 0.00 0.00 62.40 63.25 3b9k h SER 43 CO 0.87 1.27 0.34 -0.44 -0.87 0.00 0.00 176.83 177.99 3b9k s SER 44 N -7.03 4.46 -0.81 4.97 0.01 -1.26 -4.48 113.70 109.56 3b9k s SER 44 Ca -0.03 1.27 -0.02 0.00 1.31 0.00 0.00 55.95 58.49 3b9k s SER 44 Cb 0.08 -1.99 -0.00 0.00 0.21 0.00 0.00 66.02 64.31 3b9k s SER 44 CO 0.87 -1.99 0.66 -1.54 0.41 0.00 0.00 173.24 171.65 3b9k n SER 45 N -3.44 -6.20 -4.55 2.44 3.41 -1.26 -4.67 113.62 99.35 3b9k n SER 45 Ca 0.07 -0.57 -0.18 0.00 -0.26 0.00 0.00 58.87 57.92 3b9k n SER 45 Cb 0.57 -3.41 -0.08 0.00 -0.26 0.00 0.00 64.21 61.02 3b9k n SER 45 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3b9k n LYS 46 N -2.36 0.57 -3.78 4.33 4.76 -1.26 -4.82 118.16 115.60 3b9k n LYS 46 Ca -0.16 -0.61 -0.29 0.00 -2.87 0.00 0.00 58.31 54.37 3b9k n LYS 46 Cb 0.60 -3.35 -0.16 0.00 -1.84 0.00 0.00 35.03 30.29 3b9k n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3b9k s LEU 47 N 12.89 2.04 0.48 -0.35 1.43 -1.26 -5.02 118.68 128.89 3b9k s LEU 47 Ca 0.99 -1.32 0.27 0.00 -1.03 0.00 0.00 54.13 53.04 3b9k s LEU 47 Cb -0.23 -0.86 1.46 0.00 0.03 0.00 0.00 46.19 46.58 3b9k s LEU 47 CO 0.17 -0.35 1.80 1.55 0.23 0.00 0.00 176.35 179.75 3b9k h PRO 48 N 8.10 0.00 -6.26 1.29 0.13 -1.91 -3.42 132.00 129.93 3b9k h PRO 48 Ca -0.15 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.43 3b9k h PRO 48 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3b9k h PRO 48 CO 0.42 0.00 1.21 -1.14 -0.23 0.00 0.00 178.00 178.26 3b9k s GLN 49 N -3.75 3.94 0.39 0.86 0.74 -1.26 -4.97 119.66 115.61 3b9k s GLN 49 Ca -0.03 2.23 -0.26 0.00 0.05 0.00 0.00 55.36 57.34 3b9k s GLN 49 Cb 0.08 -4.12 -0.09 0.00 1.10 0.00 0.00 33.01 29.98 3b9k s GLN 49 CO 0.24 -1.16 1.29 -2.14 -0.55 0.00 0.00 175.29 172.98 3b9k s PRO 50 N 4.66 4.05 0.08 1.67 0.02 -1.26 -4.77 135.00 139.45 3b9k s PRO 50 Ca 0.83 2.15 0.06 0.00 0.02 0.00 0.00 61.00 64.05 3b9k s PRO 50 Cb -0.35 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 3b9k s PRO 50 CO 0.35 -0.42 -0.06 0.95 -0.33 0.00 0.00 177.00 177.49 3b9k s THR 51 N -1.25 3.62 0.03 0.99 -4.23 -0.49 -4.93 115.64 109.39 3b9k s THR 51 Ca 0.55 -1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 59.67 3b9k s THR 51 Cb -0.38 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 3b9k s THR 51 CO 0.49 0.17 1.13 0.12 -0.54 0.00 0.00 174.62 175.99 3b9k s PHE 52 N -1.21 3.49 -0.06 3.99 5.36 -1.26 -1.82 117.98 126.47 3b9k s PHE 52 Ca 0.22 1.41 -0.06 0.00 -0.96 0.00 0.00 56.93 57.55 3b9k s PHE 52 Cb -0.11 -3.33 -0.02 0.00 -0.34 0.00 0.00 43.02 39.22 3b9k s PHE 52 CO 0.14 -0.90 -0.11 0.28 -1.46 0.00 0.00 175.22 173.17 3b9k n VAL 53 N 3.97 0.51 -3.89 3.12 0.31 0.40 -4.49 118.33 118.28 3b9k n VAL 53 Ca 0.08 0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 64.70 3b9k n VAL 53 Cb 0.48 -1.79 -0.08 0.00 -0.91 0.00 0.00 33.84 31.53 3b9k n VAL 53 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3b9k s VAL 54 N -1.61 0.13 0.05 2.52 1.01 -1.13 -1.23 120.40 120.14 3b9k s VAL 54 Ca -0.09 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 60.86 3b9k s VAL 54 Cb 0.01 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3b9k s VAL 54 CO 0.13 -0.61 -0.21 -0.47 0.00 0.00 0.00 175.10 173.94 3b9k s TYR 55 N -3.12 1.83 -0.02 5.22 5.04 -0.20 0.22 117.35 126.33 3b9k s TYR 55 Ca -0.01 -0.38 0.02 0.00 -2.44 0.00 0.00 57.07 54.26 3b9k s TYR 55 Cb 0.02 -1.09 0.00 0.00 0.35 0.00 0.00 41.96 41.24 3b9k s TYR 55 CO -0.07 0.10 -0.07 -1.64 -1.34 0.00 0.00 175.55 172.53 3b9k s MET 56 N -1.21 0.68 0.55 4.97 -1.94 -0.43 -2.24 119.30 119.69 3b9k s MET 56 Ca 0.08 -0.22 -0.20 0.00 -1.71 0.00 0.00 55.69 53.63 3b9k s MET 56 Cb -0.09 -0.67 -0.05 0.00 2.01 0.00 0.00 34.83 36.04 3b9k s MET 56 CO 0.02 0.09 1.24 0.00 -0.01 0.00 0.00 175.02 176.36 3b9k s ALA 57 N 0.16 2.70 0.04 3.03 0.00 -1.06 -0.74 121.76 125.89 3b9k s ALA 57 Ca -0.02 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 3b9k s ALA 57 Cb -0.07 -3.47 -0.34 0.00 0.00 0.00 0.00 23.12 19.24 3b9k s ALA 57 CO -0.00 -1.14 1.03 0.66 0.00 0.00 0.00 175.76 176.31 3b9k h SER 58 N 1.27 0.84 0.00 0.00 4.64 -1.84 -3.44 113.55 115.01 3b9k h SER 58 Ca -0.50 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 59.95 3b9k h SER 58 Cb 1.29 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3b9k h SER 58 CO 0.57 1.68 -0.29 -1.54 -0.87 0.00 0.00 176.83 176.37 3b9k n SER 59 N -3.72 0.95 -4.79 4.97 3.41 -1.26 -4.65 113.62 108.52 3b9k n SER 59 Ca -0.16 0.14 -0.30 0.00 -0.26 0.00 0.00 58.87 58.30 3b9k n SER 59 Cb 1.08 -0.42 0.10 0.00 -0.26 0.00 0.00 64.21 64.71 3b9k n SER 59 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3b9k s HIS 60 N -1.90 2.76 -0.99 7.33 -3.43 -1.26 -4.97 115.29 112.83 3b9k s HIS 60 Ca -0.09 1.17 -0.12 0.00 -0.80 0.00 0.00 55.06 55.22 3b9k s HIS 60 Cb 0.01 -3.13 0.24 0.00 -1.43 0.00 0.00 32.58 28.28 3b9k s HIS 60 CO 0.13 -1.85 0.99 -0.80 -2.00 0.00 0.00 174.74 171.21 3b9k s ASN 61 N -3.84 7.04 -0.02 7.38 0.01 -1.26 -4.47 114.94 119.78 3b9k s ASN 61 Ca 0.61 -3.11 -0.02 0.00 -0.71 0.00 0.00 52.86 49.63 3b9k s ASN 61 Cb -0.15 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.29 3b9k s ASN 61 CO 0.55 -0.47 0.06 -0.75 -1.51 0.00 0.00 177.10 174.97 3b9k s LYS 62 N -0.30 0.08 -0.15 -0.60 2.20 -1.26 -5.06 119.74 114.65 3b9k s LYS 62 Ca 0.26 0.07 -0.00 0.00 -0.36 0.00 0.00 55.97 55.95 3b9k s LYS 62 Cb -0.09 0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.30 3b9k s LYS 62 CO -0.08 -0.01 -0.09 0.42 -0.36 0.00 0.00 175.35 175.23 3b9k s ILE 63 N 0.00 1.26 -0.12 5.43 1.01 -1.26 -2.55 121.20 124.97 3b9k s ILE 63 Ca -0.00 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.09 3b9k s ILE 63 Cb -0.01 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.15 3b9k s ILE 63 CO 0.00 0.28 -0.22 0.42 0.00 0.00 0.00 174.94 175.42 3b9k s THR 64 N 1.59 1.99 0.42 2.92 -4.23 -0.95 -5.01 115.64 112.37 3b9k s THR 64 Ca 0.03 -0.96 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 3b9k s THR 64 Cb -0.14 -1.75 0.01 0.00 1.34 0.00 0.00 72.50 71.96 3b9k s THR 64 CO -0.09 0.54 0.58 0.26 -0.54 0.00 0.00 174.62 175.37 3b9k s TRP 65 N 0.62 2.93 -0.56 3.99 0.52 -1.26 -1.04 118.94 124.14 3b9k s TRP 65 Ca -0.12 -0.26 -0.26 0.00 0.02 0.00 0.00 56.10 55.48 3b9k s TRP 65 Cb -0.17 -2.32 -0.07 0.00 -1.15 0.00 0.00 33.47 29.77 3b9k s TRP 65 CO 0.03 -0.36 2.30 0.34 0.02 0.00 0.00 176.95 179.27 3b9k s ASP 66 N -4.30 4.53 0.22 2.95 2.15 -0.37 -4.82 116.67 117.03 3b9k s ASP 66 Ca 0.52 0.76 -0.20 0.00 0.43 0.00 0.00 52.55 54.06 3b9k s ASP 66 Cb -0.10 -2.51 0.18 0.00 -0.30 0.00 0.00 42.92 40.19 3b9k s ASP 66 CO 0.33 -2.92 1.55 -1.84 -0.17 0.00 0.00 175.17 172.12 3b9k n GLU 67 N 9.02 -0.27 -0.32 4.34 0.28 -1.26 -0.03 120.64 132.40 3b9k n GLU 67 Ca 0.35 1.53 0.20 0.00 -0.16 0.00 0.00 57.16 59.08 3b9k n GLU 67 Cb 0.53 -2.27 0.46 0.00 1.43 0.00 0.00 31.44 31.59 3b9k n GLU 67 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3b9k h LYS 68 N 0.00 0.47 0.00 3.44 3.64 -1.98 -3.24 116.57 118.89 3b9k h LYS 68 Ca 0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3b9k h LYS 68 Cb 0.56 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3b9k h LYS 68 CO -0.98 0.31 -0.90 1.28 -2.27 0.00 0.00 179.45 176.89 3b9k n LEU 69 N -4.66 1.66 -2.54 5.20 4.77 -0.86 -4.92 117.00 115.66 3b9k n LEU 69 Ca 0.24 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.92 3b9k n LEU 69 Cb 0.78 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.89 3b9k n LEU 69 CO 0.25 0.28 0.60 0.59 -1.33 0.00 0.00 177.39 177.78 3b9k n ASN 70 N -2.19 5.62 0.09 -1.43 3.02 0.96 -4.51 115.26 116.81 3b9k n ASN 70 Ca 0.00 -3.76 -0.22 0.00 -0.03 0.00 0.00 54.58 50.57 3b9k n ASN 70 Cb 0.45 -0.63 -0.14 0.00 -0.61 0.00 0.00 39.78 38.85 3b9k n ASN 70 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3b9k h SER 71 N 2.62 0.68 -3.21 6.41 0.02 -1.74 -3.44 113.55 114.89 3b9k h SER 71 Ca 0.39 -0.90 -0.58 0.00 -0.84 0.00 0.00 61.79 59.87 3b9k h SER 71 Cb 0.74 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 3b9k h SER 71 CO 1.03 1.52 -0.11 -0.94 -1.14 0.00 0.00 176.83 177.20 3b9k s SER 72 N -7.24 6.89 -0.18 3.07 1.04 -1.26 -5.06 113.70 110.95 3b9k s SER 72 Ca -0.11 1.09 -0.07 0.00 0.48 0.00 0.00 55.95 57.34 3b9k s SER 72 Cb 0.03 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 3b9k s SER 72 CO 0.89 0.21 0.05 -0.54 0.98 0.00 0.00 173.24 174.83 3b9k s LYS 73 N -1.50 3.92 -0.13 4.02 3.01 -1.26 -4.91 119.74 122.89 3b9k s LYS 73 Ca 0.32 -0.37 0.14 0.00 -1.01 0.00 0.00 55.97 55.04 3b9k s LYS 73 Cb -0.17 -3.17 -0.20 0.00 -1.01 0.00 0.00 37.83 33.29 3b9k s LYS 73 CO 0.18 0.26 0.10 1.28 0.51 0.00 0.00 175.35 177.68 3b9k n LEU 74 N 3.57 0.00 -4.92 3.17 4.77 -1.26 -5.04 117.00 117.29 3b9k n LEU 74 Ca -0.17 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.58 3b9k n LEU 74 Cb 0.52 0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.89 3b9k n LEU 74 CO 0.35 0.31 -0.10 -0.36 -1.33 0.00 0.00 177.39 176.26 3b9k s PHE 75 N -2.48 3.36 -0.03 -1.77 0.08 -1.26 -2.13 117.98 113.74 3b9k s PHE 75 Ca -0.07 0.00 0.03 0.00 0.12 0.00 0.00 56.93 57.02 3b9k s PHE 75 Cb 0.05 -1.56 -0.00 0.00 -0.57 0.00 0.00 43.02 40.94 3b9k s PHE 75 CO 0.62 0.49 -0.13 0.45 -0.10 0.00 0.00 175.22 176.55 3b9k s SER 76 N -3.64 1.69 -0.01 1.36 0.15 0.14 -4.93 113.70 108.46 3b9k s SER 76 Ca 0.34 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.77 3b9k s SER 76 Cb -0.09 -0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 63.74 3b9k s SER 76 CO 0.27 0.11 -0.18 0.00 1.20 0.00 0.00 173.24 174.65 3b9k s ALA 77 N 0.09 2.55 0.19 5.45 0.00 -1.26 -0.02 121.76 128.76 3b9k s ALA 77 Ca -0.03 -1.09 -0.18 0.00 0.00 0.00 0.00 51.96 50.65 3b9k s ALA 77 Cb -0.10 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.25 3b9k s ALA 77 CO 0.01 0.56 0.53 0.00 0.00 0.00 0.00 175.76 176.87 3b9k s MET 78 N -1.02 1.35 -0.14 0.00 0.23 -0.42 -5.02 119.30 114.28 3b9k s MET 78 Ca 0.13 -0.78 0.01 0.00 -1.03 0.00 0.00 55.69 54.01 3b9k s MET 78 Cb -0.10 0.53 0.02 0.00 -1.53 0.00 0.00 34.83 33.75 3b9k s MET 78 CO 0.02 -0.57 -0.15 0.50 -2.03 0.00 0.00 175.02 172.79 3b9k s ARG 79 N -3.85 2.32 -0.03 3.16 3.52 -1.26 -0.71 118.95 122.10 3b9k s ARG 79 Ca 0.07 -0.58 -0.18 0.00 -0.13 0.00 0.00 55.73 54.91 3b9k s ARG 79 Cb -0.01 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.26 3b9k s ARG 79 CO -0.05 -0.17 0.52 -0.51 -0.81 0.00 0.00 175.30 174.27 3b9k s ASP 80 N 1.30 6.86 0.69 -2.12 1.11 -0.34 -4.92 116.67 119.26 3b9k s ASP 80 Ca 0.01 1.02 0.00 0.00 0.18 0.00 0.00 52.55 53.76 3b9k s ASP 80 Cb -0.14 -2.32 0.00 0.00 1.07 0.00 0.00 42.92 41.54 3b9k s ASP 80 CO -0.08 0.14 0.00 0.41 1.18 0.00 0.00 175.17 176.82 3b9k n THR 81 N 2.71 0.00 -0.13 -1.27 -1.04 -1.26 -2.14 114.28 111.15 3b9k n THR 81 Ca -0.09 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3b9k n THR 81 Cb 0.51 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.14 3b9k n THR 81 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3b9k n ASN 82 N -2.36 2.71 0.00 8.00 4.13 -1.26 -4.71 115.26 121.76 3b9k n ASN 82 Ca 0.00 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.27 3b9k n ASN 82 Cb 0.00 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 3b9k n ASN 82 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3b9k n ASN 83 N 0.30 0.00 -4.42 6.41 6.94 -1.21 -4.71 115.26 118.58 3b9k n ASN 83 Ca 0.09 -1.00 -0.38 0.00 -0.02 0.00 0.00 54.58 53.27 3b9k n ASN 83 Cb 0.38 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.68 3b9k n ASN 83 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3b9k s LYS 84 N 0.00 3.36 -0.18 -3.83 1.02 -0.91 -1.45 119.74 117.75 3b9k s LYS 84 Ca 0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 55.97 55.25 3b9k s LYS 84 Cb 0.00 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 3b9k s LYS 84 CO 0.00 -0.36 -0.00 0.71 -0.92 0.00 0.00 175.35 174.78 3b9k s TYR 85 N 1.59 3.08 -0.19 3.18 1.51 0.14 -1.20 117.35 125.45 3b9k s TYR 85 Ca 0.05 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3b9k s TYR 85 Cb -0.17 -2.03 0.03 0.00 -0.11 0.00 0.00 41.96 39.68 3b9k s TYR 85 CO 0.05 -0.06 -0.18 0.08 -1.11 0.00 0.00 175.55 174.32 3b9k s VAL 86 N 0.59 2.06 -0.16 0.71 1.01 0.11 0.09 120.40 124.82 3b9k s VAL 86 Ca -0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 3b9k s VAL 86 Cb -0.14 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3b9k s VAL 86 CO 0.02 0.45 -0.05 -0.22 0.00 0.00 0.00 175.10 175.30 3b9k s LEU 87 N 1.26 3.18 -0.02 3.92 2.96 0.93 -1.30 118.68 129.61 3b9k s LEU 87 Ca 0.03 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.85 3b9k s LEU 87 Cb -0.14 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3b9k s LEU 87 CO -0.12 0.16 -0.25 -0.89 -1.32 0.00 0.00 176.35 173.93 3b9k s THR 88 N 0.42 2.13 -0.38 3.68 2.01 0.97 -0.21 115.64 124.24 3b9k s THR 88 Ca -0.04 -1.10 -0.12 0.00 0.31 0.00 0.00 61.69 60.73 3b9k s THR 88 Cb -0.14 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.65 3b9k s THR 88 CO 0.03 0.57 0.24 -0.76 -0.69 0.00 0.00 174.62 174.01 3b9k s LEU 89 N -0.66 4.84 0.00 4.42 1.02 -0.33 -0.69 118.68 127.29 3b9k s LEU 89 Ca 0.10 -0.94 0.00 0.00 0.02 0.00 0.00 54.13 53.31 3b9k s LEU 89 Cb -0.10 -2.07 0.00 0.00 0.02 0.00 0.00 46.19 44.04 3b9k s LEU 89 CO -0.01 -0.40 0.29 0.59 0.02 0.00 0.00 176.35 176.84 3b9k n ASN 90 N 5.06 0.00 -4.59 2.29 5.03 -0.91 -1.86 115.26 120.28 3b9k n ASN 90 Ca -0.12 0.29 -0.40 0.00 0.87 0.00 0.00 54.58 55.22 3b9k n ASN 90 Cb 0.46 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.14 3b9k n ASN 90 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3b9k s LYS 91 N -0.58 3.88 0.03 3.52 2.20 -1.26 -3.15 119.74 124.38 3b9k s LYS 91 Ca 0.00 -0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 3b9k s LYS 91 Cb 0.00 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 3b9k s LYS 91 CO 0.00 -0.40 1.27 0.12 -0.36 0.00 0.00 175.35 175.98 3b9k s PHE 92 N 2.17 3.23 0.08 4.03 2.19 -1.12 -4.89 117.98 123.67 3b9k s PHE 92 Ca 0.16 1.13 0.02 0.00 0.33 0.00 0.00 56.93 58.57 3b9k s PHE 92 Cb -0.16 -3.51 -0.01 0.00 -1.31 0.00 0.00 43.02 38.04 3b9k s PHE 92 CO 0.11 -1.69 0.06 -1.13 1.83 0.00 0.00 175.22 174.40 3b9k n SER 93 N 4.54 -0.02 -0.16 6.13 3.41 -1.26 -0.78 113.62 125.48 3b9k n SER 93 Ca 0.11 -1.53 -0.04 0.00 -0.26 0.00 0.00 58.87 57.15 3b9k n SER 93 Cb 0.45 0.39 0.16 0.00 -0.26 0.00 0.00 64.21 64.95 3b9k n SER 93 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3b9k h LYS 94 N 0.00 0.89 -1.07 4.33 1.63 -1.98 -2.76 116.57 117.61 3b9k h LYS 94 Ca -0.06 -0.19 0.33 0.00 -0.85 0.00 0.00 60.65 59.88 3b9k h LYS 94 Cb 0.29 -0.13 -0.13 0.00 -0.60 0.00 0.00 32.23 31.66 3b9k h LYS 94 CO 0.09 0.80 0.65 0.93 -3.45 0.00 0.00 179.45 178.46 3b9k h GLU 95 N 0.86 0.30 0.00 1.90 5.08 -1.97 -2.66 114.58 118.09 3b9k h GLU 95 Ca 0.19 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 3b9k h GLU 95 Cb 0.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3b9k h GLU 95 CO -0.00 0.20 -0.89 -0.91 -1.00 0.00 0.00 179.01 176.41 3b9k h ASN 96 N 0.31 0.00 -2.59 1.42 2.35 -1.85 -3.48 115.58 111.75 3b9k h ASN 96 Ca 0.72 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.94 3b9k h ASN 96 Cb 1.79 0.00 0.03 0.00 0.05 0.00 0.00 38.32 40.19 3b9k h ASN 96 CO -0.50 0.54 1.07 -0.70 -1.65 0.00 0.00 177.43 176.19 3b9k s GLU 97 N -2.95 4.16 0.00 0.81 2.12 -1.00 -4.87 118.70 116.96 3b9k s GLU 97 Ca 0.01 2.51 0.00 0.00 0.36 0.00 0.00 54.97 57.85 3b9k s GLU 97 Cb 0.08 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.89 3b9k s GLU 97 CO 0.78 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 3b9k n GLY 98 N 4.15 -0.58 3.55 -1.50 0.00 -1.15 -3.62 105.19 106.04 3b9k n GLY 98 Ca 0.17 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 3b9k n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b9k s TYR 99 N -3.45 3.19 -0.15 1.61 2.02 -0.84 0.65 117.35 120.38 3b9k s TYR 99 Ca 0.00 -0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 3b9k s TYR 99 Cb 0.00 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.28 3b9k s TYR 99 CO 0.00 -0.16 -0.12 0.71 -1.57 0.00 0.00 175.55 174.41 3b9k s TYR 100 N 1.41 2.84 0.39 2.71 1.51 0.56 -0.76 117.35 126.01 3b9k s TYR 100 Ca 0.06 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.40 3b9k s TYR 100 Cb -0.15 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 3b9k s TYR 100 CO 0.06 -0.31 0.13 -0.59 -1.11 0.00 0.00 175.55 173.73 3b9k s PHE 101 N 0.62 1.78 0.30 2.71 -0.71 -0.94 -0.10 117.98 121.63 3b9k s PHE 101 Ca -0.07 -1.28 0.04 0.00 -1.04 0.00 0.00 56.93 54.58 3b9k s PHE 101 Cb -0.15 -1.13 -0.04 0.00 -1.21 0.00 0.00 43.02 40.49 3b9k s PHE 101 CO 0.03 -0.31 0.18 0.00 -1.34 0.00 0.00 175.22 173.78 3b9k s SER 103 N -3.34 -0.31 0.19 0.00 0.15 -0.44 -2.24 113.70 107.71 3b9k s SER 103 Ca 0.37 0.07 0.05 0.00 0.70 0.00 0.00 55.95 57.14 3b9k s SER 103 Cb 0.05 0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 3b9k s SER 103 CO 0.19 -0.64 -0.07 0.68 1.20 0.00 0.00 173.24 174.60 3b9k s VAL 104 N -2.24 1.21 -0.14 4.45 -7.23 -1.02 -1.30 120.40 114.12 3b9k s VAL 104 Ca -0.07 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.05 3b9k s VAL 104 Cb -0.01 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.87 3b9k s VAL 104 CO -0.01 -0.56 -0.20 0.27 -0.31 0.00 0.00 175.10 174.29 3b9k s ILE 105 N -3.31 1.90 -0.02 -0.62 -4.36 -1.26 -1.57 121.20 111.96 3b9k s ILE 105 Ca 0.22 -0.87 0.01 0.00 -0.26 0.00 0.00 60.65 59.75 3b9k s ILE 105 Cb 0.03 -1.69 0.01 0.00 1.25 0.00 0.00 42.46 42.06 3b9k s ILE 105 CO 0.05 0.52 -0.05 -0.44 0.24 0.00 0.00 174.94 175.26 3b9k s SER 106 N 0.94 0.71 -1.57 4.36 0.01 -0.84 -4.51 113.70 112.80 3b9k s SER 106 Ca -0.05 -0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.06 3b9k s SER 106 Cb -0.15 -0.20 0.04 0.00 0.21 0.00 0.00 66.02 65.92 3b9k s SER 106 CO -0.03 0.01 0.25 0.59 0.41 0.00 0.00 173.24 174.47 3b9k n ASN 107 N 3.41 -0.07 -1.32 2.44 5.03 -1.26 -0.74 115.26 122.76 3b9k n ASN 107 Ca -0.19 -1.18 -0.16 0.00 0.87 0.00 0.00 54.58 53.92 3b9k n ASN 107 Cb 0.55 -2.06 -0.06 0.00 -1.02 0.00 0.00 39.78 37.19 3b9k n ASN 107 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3b9k n SER 108 N -2.84 -4.90 -4.29 6.41 7.64 -1.26 -5.01 113.62 109.36 3b9k n SER 108 Ca -0.23 0.33 -0.31 0.00 1.01 0.00 0.00 58.87 59.67 3b9k n SER 108 Cb 0.65 -3.84 -0.16 0.00 -1.01 0.00 0.00 64.21 59.84 3b9k n SER 108 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3b9k s VAL 109 N -2.62 2.13 -0.15 0.44 1.01 0.08 -5.12 120.40 116.17 3b9k s VAL 109 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 3b9k s VAL 109 Cb 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3b9k s VAL 109 CO 0.00 0.57 0.25 -0.04 0.00 0.00 0.00 175.10 175.89 3b9k s MET 110 N -0.33 4.09 0.18 2.72 -1.94 -1.26 -1.98 119.30 120.78 3b9k s MET 110 Ca 0.01 0.04 0.11 0.00 -1.71 0.00 0.00 55.69 54.14 3b9k s MET 110 Cb -0.12 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 3b9k s MET 110 CO 0.02 0.37 -0.23 0.71 -0.01 0.00 0.00 175.02 175.89 3b9k s TYR 111 N 0.08 2.35 0.04 -0.03 1.51 -0.61 -5.01 117.35 115.68 3b9k s TYR 111 Ca 0.15 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3b9k s TYR 111 Cb -0.13 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.51 3b9k s TYR 111 CO 0.04 0.47 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.84 3b9k s PHE 112 N -1.54 0.52 0.72 2.71 0.08 -1.26 -2.42 117.98 116.79 3b9k s PHE 112 Ca 0.20 -0.69 -0.07 0.00 0.12 0.00 0.00 56.93 56.49 3b9k s PHE 112 Cb -0.08 -0.34 0.07 0.00 -0.57 0.00 0.00 43.02 42.10 3b9k s PHE 112 CO 0.10 -0.19 1.03 -1.54 -0.10 0.00 0.00 175.22 174.52 3b9k s SER 113 N -2.02 4.69 0.81 1.36 1.04 -0.95 -4.41 113.70 114.22 3b9k s SER 113 Ca -0.06 0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 3b9k s SER 113 Cb -0.04 -1.00 0.08 0.00 0.10 0.00 0.00 66.02 65.15 3b9k s SER 113 CO -0.03 -1.68 1.09 -0.44 0.98 0.00 0.00 173.24 173.16 3b9k s SER 114 N -4.55 4.28 -0.01 7.02 0.01 -1.26 -4.78 113.70 114.41 3b9k s SER 114 Ca 0.61 1.48 -0.16 0.00 1.31 0.00 0.00 55.95 59.20 3b9k s SER 114 Cb -0.10 -2.21 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 3b9k s SER 114 CO 0.45 -2.13 0.45 -0.69 0.41 0.00 0.00 173.24 171.73 3b9k s VAL 115 N -3.03 5.00 -0.38 3.43 1.01 -1.26 -4.62 120.40 120.55 3b9k s VAL 115 Ca 0.61 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 63.47 3b9k s VAL 115 Cb -0.16 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.53 3b9k s VAL 115 CO 0.55 0.53 0.16 -0.69 0.00 0.00 0.00 175.10 175.65 3b9k s VAL 116 N -0.79 3.56 -0.04 2.92 1.01 0.85 -4.90 120.40 123.01 3b9k s VAL 116 Ca 0.25 -1.57 -0.30 0.00 0.00 0.00 0.00 61.98 60.36 3b9k s VAL 116 Cb -0.17 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3b9k s VAL 116 CO 0.14 -0.42 1.50 -2.84 0.00 0.00 0.00 175.10 173.47 3b9k s PRO 117 N 1.29 4.23 -0.71 2.72 0.02 -1.26 -0.33 135.00 140.96 3b9k s PRO 117 Ca 0.02 2.04 0.04 0.00 0.02 0.00 0.00 61.00 63.12 3b9k s PRO 117 Cb -0.22 -3.76 0.25 0.00 0.02 0.00 0.00 34.50 30.79 3b9k s PRO 117 CO -0.01 -0.72 0.80 0.28 -0.33 0.00 0.00 177.00 177.03 3b9k n VAL 118 N 5.09 2.63 -3.97 3.83 0.31 0.21 -1.72 118.33 124.72 3b9k n VAL 118 Ca 0.15 -5.26 -0.35 0.00 -0.01 0.00 0.00 64.34 58.87 3b9k n VAL 118 Cb 0.43 -2.12 -0.09 0.00 -0.91 0.00 0.00 33.84 31.15 3b9k n VAL 118 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3b9k s LEU 119 N -2.35 3.97 0.10 7.52 1.43 -0.84 -2.95 118.68 125.56 3b9k s LEU 119 Ca 0.37 0.19 -0.36 0.00 -1.03 0.00 0.00 54.13 53.29 3b9k s LEU 119 Cb 0.11 -1.99 -0.17 0.00 0.03 0.00 0.00 46.19 44.17 3b9k s LEU 119 CO -0.02 0.24 1.28 1.67 0.23 0.00 0.00 176.35 179.75 3b9k n GLN 120 N 3.11 1.08 0.00 1.70 7.27 -1.26 -2.56 117.38 126.72 3b9k n GLN 120 Ca -0.17 0.39 0.05 0.00 0.07 0.00 0.00 57.00 57.34 3b9k n GLN 120 Cb 0.53 -1.99 0.30 0.00 2.41 0.00 0.00 30.24 31.49 3b9k n GLN 120 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30