#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbj s LEU 11 N 0.00 3.11 -0.03 0.00 2.34 -1.26 -0.33 118.68 122.52 2wbj s LEU 11 Ca 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 54.13 54.05 2wbj s LEU 11 Cb 0.00 -1.72 0.03 0.00 -0.56 0.00 0.00 46.19 43.94 2wbj s LEU 11 CO 0.00 0.22 0.00 -0.55 -1.06 0.00 0.00 176.35 174.96 2wbj s SER 12 N 0.04 0.41 -0.04 1.48 0.15 -0.42 -4.98 113.70 110.34 2wbj s SER 12 Ca -0.01 -0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.65 2wbj s SER 12 Cb -0.14 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2wbj s SER 12 CO 0.03 -0.10 -0.12 -0.63 1.20 0.00 0.00 173.24 173.62 2wbj s ILE 13 N 1.03 1.02 0.00 6.45 1.09 -1.26 -1.27 121.20 128.27 2wbj s ILE 13 Ca -0.10 -0.48 0.00 0.00 -1.10 0.00 0.00 60.65 58.97 2wbj s ILE 13 Cb -0.13 -0.90 0.00 0.00 -1.06 0.00 0.00 42.46 40.36 2wbj s ILE 13 CO -0.02 0.31 0.00 0.00 -0.10 0.00 0.00 174.94 175.13 2wbj n GLN 14 N 3.31 0.00 0.00 2.79 10.64 -0.78 -5.01 117.38 128.33 2wbj n GLN 14 Ca -0.19 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.98 2wbj n GLN 14 Cb 0.53 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.91 2wbj n GLN 14 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2wbj n GLU 15 N 0.00 0.00 -1.00 2.61 -0.58 -1.26 -0.38 120.64 120.03 2wbj n GLU 15 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 2wbj n GLU 15 Cb 0.00 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 30.91 2wbj n GLU 15 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wbj n GLY 16 N 3.59 1.46 3.43 0.62 0.00 -1.26 -4.42 105.19 108.61 2wbj n GLY 16 Ca 0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 2wbj n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wbj n GLU 17 N 0.07 0.46 -2.31 1.61 1.02 -1.26 -3.88 120.64 116.34 2wbj n GLU 17 Ca 0.06 -2.65 -0.41 0.00 -0.02 0.00 0.00 57.16 54.14 2wbj n GLU 17 Cb 0.93 -0.32 -0.03 0.00 -0.02 0.00 0.00 31.44 32.00 2wbj n GLU 17 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2wbj s ASN 18 N -4.28 7.01 -0.18 1.62 0.01 -1.23 -3.36 114.94 114.54 2wbj s ASN 18 Ca 0.55 2.32 -0.02 0.00 -0.71 0.00 0.00 52.86 55.00 2wbj s ASN 18 Cb -0.04 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 2wbj s ASN 18 CO 0.35 -0.42 -0.09 0.00 -1.51 0.00 0.00 177.10 175.43 2wbj s ALA 19 N -0.11 2.69 -0.17 0.60 0.00 0.12 -5.01 121.76 119.89 2wbj s ALA 19 Ca 0.54 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2wbj s ALA 19 Cb -0.34 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2wbj s ALA 19 CO 0.38 -0.12 -0.17 -0.08 0.00 0.00 0.00 175.76 175.77 2wbj s THR 20 N 0.96 2.40 0.02 0.00 -1.32 -1.26 -1.10 115.64 115.34 2wbj s THR 20 Ca -0.01 -0.84 0.07 0.00 -1.21 0.00 0.00 61.69 59.70 2wbj s THR 20 Cb -0.15 -2.02 -0.02 0.00 -1.51 0.00 0.00 72.50 68.80 2wbj s THR 20 CO -0.00 0.52 -0.22 -0.04 -2.21 0.00 0.00 174.62 172.66 2wbj s MET 21 N 1.15 1.57 0.15 7.08 -1.94 -0.34 -4.96 119.30 122.00 2wbj s MET 21 Ca 0.01 -0.90 0.09 0.00 -1.71 0.00 0.00 55.69 53.18 2wbj s MET 21 Cb -0.14 -1.64 -0.04 0.00 2.01 0.00 0.00 34.83 35.02 2wbj s MET 21 CO -0.07 0.43 -0.14 -0.80 -0.01 0.00 0.00 175.02 174.43 2wbj s ASN 22 N -0.95 4.08 -0.28 3.03 0.01 -1.26 -0.41 114.94 119.16 2wbj s ASN 22 Ca 0.08 -0.57 -0.00 0.00 -0.71 0.00 0.00 52.86 51.66 2wbj s ASN 22 Cb -0.09 -0.64 0.17 0.00 0.41 0.00 0.00 41.25 41.10 2wbj s ASN 22 CO 0.01 0.14 0.49 0.00 -1.51 0.00 0.00 177.10 176.23 2wbj s SER 24 N 2.70 5.92 0.07 0.00 1.04 -1.26 -1.55 113.70 120.61 2wbj s SER 24 Ca 0.15 -0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.44 2wbj s SER 24 Cb -0.14 -1.35 0.02 0.00 0.10 0.00 0.00 66.02 64.64 2wbj s SER 24 CO -0.21 -0.53 0.30 -0.72 0.98 0.00 0.00 173.24 173.06 2wbj s TYR 25 N -2.32 -0.07 -0.62 5.02 -0.85 -0.98 -4.51 117.35 113.03 2wbj s TYR 25 Ca 0.46 -0.17 0.22 0.00 -0.52 0.00 0.00 57.07 57.07 2wbj s TYR 25 Cb -0.10 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 2wbj s TYR 25 CO 0.34 -0.55 0.94 1.17 -1.52 0.00 0.00 175.55 175.93 2wbj n LYS 26 N 0.28 0.28 -4.25 -3.49 3.00 -1.26 -4.84 118.16 107.88 2wbj n LYS 26 Ca -0.17 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.31 57.97 2wbj n LYS 26 Cb 0.61 -1.56 -0.10 0.00 0.00 0.00 0.00 35.03 33.97 2wbj n LYS 26 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2wbj s THR 27 N -3.20 0.95 0.46 3.15 -1.32 -1.26 -5.14 115.64 109.29 2wbj s THR 27 Ca 0.03 -2.02 -0.24 0.00 -1.21 0.00 0.00 61.69 58.25 2wbj s THR 27 Cb 0.15 -1.99 -0.07 0.00 -1.51 0.00 0.00 72.50 69.08 2wbj s THR 27 CO 0.83 -0.62 1.28 -0.55 -2.21 0.00 0.00 174.62 173.35 2wbj s SER 28 N -3.18 5.96 0.28 8.08 0.15 -1.26 -4.98 113.70 118.74 2wbj s SER 28 Ca 0.20 2.59 0.08 0.00 0.70 0.00 0.00 55.95 59.52 2wbj s SER 28 Cb 0.04 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.67 2wbj s SER 28 CO 0.02 -1.09 -0.09 -0.63 1.20 0.00 0.00 173.24 172.66 2wbj s ILE 29 N -1.35 1.81 0.04 6.45 1.09 -1.26 -1.77 121.20 126.21 2wbj s ILE 29 Ca 0.63 -2.17 0.00 0.00 -1.10 0.00 0.00 60.65 58.01 2wbj s ILE 29 Cb -0.36 -2.39 0.00 0.00 -1.06 0.00 0.00 42.46 38.64 2wbj s ILE 29 CO 0.45 -0.35 0.00 0.59 -0.10 0.00 0.00 174.94 175.53 2wbj n ASN 30 N -0.58 0.31 -4.59 3.58 5.03 -0.78 -4.42 115.26 113.81 2wbj n ASN 30 Ca -0.06 0.06 -0.32 0.00 0.87 0.00 0.00 54.58 55.13 2wbj n ASN 30 Cb 0.63 -0.07 -0.11 0.00 -1.02 0.00 0.00 39.78 39.20 2wbj n ASN 30 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2wbj s ASN 31 N -5.18 4.58 -0.12 6.41 -0.87 -1.26 -1.62 114.94 116.87 2wbj s ASN 31 Ca 0.00 -0.15 0.01 0.00 -1.57 0.00 0.00 52.86 51.16 2wbj s ASN 31 Cb 0.00 -1.06 0.02 0.00 -0.02 0.00 0.00 41.25 40.18 2wbj s ASN 31 CO 0.00 0.29 -0.15 -0.22 -2.57 0.00 0.00 177.10 174.45 2wbj s LEU 32 N -1.34 1.72 -0.10 0.60 2.96 -0.52 -2.61 118.68 119.39 2wbj s LEU 32 Ca 0.16 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2wbj s LEU 32 Cb -0.11 -1.12 -0.00 0.00 0.50 0.00 0.00 46.19 45.46 2wbj s LEU 32 CO 0.07 -0.00 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.77 2wbj s GLN 33 N 1.11 3.03 0.04 1.98 -0.21 0.46 -1.31 119.66 124.75 2wbj s GLN 33 Ca -0.04 -0.86 -0.16 0.00 0.02 0.00 0.00 55.36 54.32 2wbj s GLN 33 Cb -0.14 -2.32 -0.06 0.00 1.00 0.00 0.00 33.01 31.49 2wbj s GLN 33 CO -0.04 0.21 0.48 -1.58 -2.12 0.00 0.00 175.29 172.24 2wbj s TRP 34 N 0.28 3.75 0.10 0.91 0.52 -0.63 0.02 118.94 123.89 2wbj s TRP 34 Ca -0.17 1.11 0.05 0.00 0.02 0.00 0.00 56.10 57.12 2wbj s TRP 34 Cb -0.17 -2.38 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 2wbj s TRP 34 CO 0.08 0.61 -0.13 0.71 0.02 0.00 0.00 176.95 178.23 2wbj s TYR 35 N -1.13 1.28 0.07 -1.98 2.02 0.19 -0.50 117.35 117.31 2wbj s TYR 35 Ca 0.27 -0.54 0.08 0.00 -0.37 0.00 0.00 57.07 56.51 2wbj s TYR 35 Cb -0.18 -0.69 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 2wbj s TYR 35 CO 0.16 0.09 -0.19 -0.98 -1.57 0.00 0.00 175.55 173.06 2wbj s ARG 36 N -2.39 1.91 0.00 -0.62 1.70 -1.26 -0.62 118.95 117.67 2wbj s ARG 36 Ca 0.05 -1.09 0.00 0.00 -0.47 0.00 0.00 55.73 54.22 2wbj s ARG 36 Cb -0.06 -2.13 0.00 0.00 -0.57 0.00 0.00 34.95 32.19 2wbj s ARG 36 CO 0.02 0.51 0.00 1.04 -1.08 0.00 0.00 175.30 175.79 2wbj n GLN 37 N 1.25 0.00 0.00 3.89 6.02 0.65 -1.54 117.38 127.65 2wbj n GLN 37 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 2wbj n GLN 37 Cb 0.52 -0.09 0.00 0.00 1.02 0.00 0.00 30.24 31.69 2wbj n GLN 37 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wbj n ASN 38 N -1.68 0.00 0.03 1.08 3.02 -1.26 -4.55 115.26 111.90 2wbj n ASN 38 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 2wbj n ASN 38 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 2wbj n ASN 38 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2wbj h SER 39 N 5.28 -0.34 0.00 6.41 0.02 -1.95 -3.43 113.55 119.55 2wbj h SER 39 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2wbj h SER 39 Cb 0.00 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2wbj h SER 39 CO 0.00 -0.12 0.00 0.61 -1.14 0.00 0.00 176.83 176.18 2wbj n GLY 40 N -1.11 3.23 1.50 -3.77 0.00 -1.26 -5.03 105.19 98.75 2wbj n GLY 40 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2wbj n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbj n ARG 41 N 0.00 -4.30 0.00 1.61 5.12 -1.26 -5.18 116.66 112.65 2wbj n ARG 41 Ca 0.00 3.19 0.00 0.00 -1.93 0.00 0.00 57.85 59.11 2wbj n ARG 41 Cb 0.00 -3.57 0.00 0.00 -1.16 0.00 0.00 32.46 27.73 2wbj n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wbj n GLY 42 N -0.68 1.30 3.92 -0.13 0.00 -1.26 -4.81 105.19 103.53 2wbj n GLY 42 Ca 0.00 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 2wbj n GLY 42 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wbj s LEU 43 N 0.00 4.20 -0.05 0.99 0.05 -1.26 -4.55 118.68 118.07 2wbj s LEU 43 Ca 0.00 0.04 0.03 0.00 0.05 0.00 0.00 54.13 54.26 2wbj s LEU 43 Cb 0.00 -2.76 -0.05 0.00 -2.05 0.00 0.00 46.19 41.33 2wbj s LEU 43 CO 0.00 -0.00 0.00 1.33 -0.55 0.00 0.00 176.35 177.13 2wbj n VAL 44 N -0.91 0.30 -0.06 1.48 0.24 -0.59 -4.97 118.33 113.82 2wbj n VAL 44 Ca -0.08 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2wbj n VAL 44 Cb 0.56 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 2wbj n VAL 44 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2wbj n HIS 45 N -2.26 -0.01 -0.01 6.34 -0.00 -1.26 -4.94 115.22 113.07 2wbj n HIS 45 Ca -0.08 0.01 -0.02 0.00 0.46 0.00 0.00 57.72 58.09 2wbj n HIS 45 Cb 0.63 -1.56 -0.01 0.00 -0.12 0.00 0.00 29.99 28.93 2wbj n HIS 45 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2wbj n LEU 46 N -0.44 0.63 0.00 0.27 7.99 0.35 -4.86 117.00 120.94 2wbj n LEU 46 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 2wbj n LEU 46 Cb 0.00 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 2wbj n LEU 46 CO 0.00 -0.50 0.00 0.00 -1.51 0.00 0.00 177.39 175.38 2wbj n ILE 47 N -3.11 0.00 -3.65 -0.08 0.13 -1.25 -5.03 119.36 106.36 2wbj n ILE 47 Ca -0.03 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.57 2wbj n ILE 47 Cb 0.11 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 38.84 2wbj n ILE 47 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 2wbj s LEU 48 N 0.00 -0.89 -0.07 9.51 1.98 -1.26 -1.61 118.68 126.33 2wbj s LEU 48 Ca 0.00 1.35 0.05 0.00 -2.89 0.00 0.00 54.13 52.64 2wbj s LEU 48 Cb 0.00 1.98 -0.01 0.00 0.66 0.00 0.00 46.19 48.82 2wbj s LEU 48 CO 0.00 -0.22 -0.23 -0.51 -1.89 0.00 0.00 176.35 173.49 2wbj s ILE 49 N 2.49 2.19 0.29 6.68 2.07 -0.43 -5.00 121.20 129.49 2wbj s ILE 49 Ca -0.06 -1.00 0.03 0.00 -1.41 0.00 0.00 60.65 58.21 2wbj s ILE 49 Cb -0.11 -1.82 -0.03 0.00 0.13 0.00 0.00 42.46 40.63 2wbj s ILE 49 CO -0.17 0.57 0.45 -0.13 -1.91 0.00 0.00 174.94 173.75 2wbj s ARG 50 N -0.02 3.46 0.30 3.50 0.52 -1.26 -1.44 118.95 124.00 2wbj s ARG 50 Ca -0.07 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 2wbj s ARG 50 Cb -0.15 -2.78 0.79 0.00 0.52 0.00 0.00 34.95 33.33 2wbj s ARG 50 CO 0.05 0.29 1.67 1.03 0.02 0.00 0.00 175.30 178.36 2wbj h SER 51 N 0.99 0.21 1.75 0.23 0.87 -1.62 -1.65 113.55 114.33 2wbj h SER 51 Ca -0.51 0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.19 2wbj h SER 51 Cb 1.22 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 2wbj h SER 51 CO 0.61 -0.10 -0.23 -0.55 -0.53 0.00 0.00 176.83 176.03 2wbj h ASN 52 N 0.29 0.00 -4.33 6.23 -1.07 -1.95 -3.45 115.58 111.30 2wbj h ASN 52 Ca 0.59 0.00 -0.50 0.00 0.07 0.00 0.00 56.30 56.45 2wbj h ASN 52 Cb 1.20 0.00 0.06 0.00 -2.07 0.00 0.00 38.32 37.51 2wbj h ASN 52 CO -0.60 0.23 0.41 -1.61 0.07 0.00 0.00 177.43 175.93 2wbj s GLU 53 N -3.10 3.57 0.00 4.14 2.02 -0.62 -5.02 118.70 119.68 2wbj s GLU 53 Ca 0.06 0.81 0.12 0.00 0.02 0.00 0.00 54.97 55.97 2wbj s GLU 53 Cb 0.06 -2.08 0.20 0.00 0.10 0.00 0.00 34.13 32.42 2wbj s GLU 53 CO 0.70 -0.59 1.03 2.89 0.02 0.00 0.00 175.26 179.31 2wbj n ARG 54 N -2.62 0.00 -3.62 1.61 1.85 -1.26 -4.80 116.66 107.81 2wbj n ARG 54 Ca 0.06 -1.37 -0.15 0.00 -1.00 0.00 0.00 57.85 55.39 2wbj n ARG 54 Cb 0.54 0.07 -0.07 0.00 -1.05 0.00 0.00 32.46 31.95 2wbj n ARG 54 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2wbj s GLU 55 N 0.00 0.86 0.03 2.89 -6.30 -1.26 -3.97 118.70 110.95 2wbj s GLU 55 Ca 0.16 0.77 0.01 0.00 -2.50 0.00 0.00 54.97 53.40 2wbj s GLU 55 Cb 0.18 0.41 -0.02 0.00 0.00 0.00 0.00 34.13 34.70 2wbj s GLU 55 CO -0.08 -0.15 -0.05 0.15 0.02 0.00 0.00 175.26 175.15 2wbj s LYS 56 N -0.04 0.41 0.00 4.30 -0.14 -0.80 -4.96 119.74 118.51 2wbj s LYS 56 Ca -0.03 -0.64 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 2wbj s LYS 56 Cb -0.04 -0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.00 2wbj s LYS 56 CO 0.03 0.01 0.40 -2.39 -0.76 0.00 0.00 175.35 172.64 2wbj n HIS 57 N 1.65 0.00 -3.10 3.18 1.44 -1.26 -1.92 115.22 115.21 2wbj n HIS 57 Ca -0.22 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.09 2wbj n HIS 57 Cb 0.55 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.61 2wbj n HIS 57 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2wbj s SER 58 N -0.08 6.92 1.58 4.39 0.15 -1.18 -4.84 113.70 120.64 2wbj s SER 58 Ca 0.00 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2wbj s SER 58 Cb 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2wbj s SER 58 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2wbj n GLY 59 N 3.14 2.87 0.12 9.45 0.00 -1.26 -1.33 105.19 118.17 2wbj n GLY 59 Ca -0.02 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.86 2wbj n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbj n ARG 60 N 13.62 0.62 -3.59 1.61 1.74 -1.26 -4.92 116.66 124.47 2wbj n ARG 60 Ca 0.00 -0.23 -0.33 0.00 -0.77 0.00 0.00 57.85 56.51 2wbj n ARG 60 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 2wbj n ARG 60 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wbj s LEU 61 N -2.55 4.30 -0.10 0.55 1.43 -0.45 -2.56 118.68 119.31 2wbj s LEU 61 Ca 0.26 0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 54.05 2wbj s LEU 61 Cb 0.20 -3.18 0.04 0.00 0.03 0.00 0.00 46.19 43.27 2wbj s LEU 61 CO 0.50 0.10 0.23 -0.60 0.23 0.00 0.00 176.35 176.81 2wbj s ARG 62 N -2.28 0.20 -0.14 1.70 3.52 0.02 -3.08 118.95 118.88 2wbj s ARG 62 Ca 0.38 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.47 2wbj s ARG 62 Cb -0.13 -0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 2wbj s ARG 62 CO 0.21 -0.14 -0.18 0.08 -0.81 0.00 0.00 175.30 174.45 2wbj s VAL 63 N 1.09 2.44 0.04 7.11 1.01 -0.81 -0.15 120.40 131.12 2wbj s VAL 63 Ca -0.08 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 2wbj s VAL 63 Cb -0.09 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 2wbj s VAL 63 CO -0.07 0.53 0.34 -0.89 0.00 0.00 0.00 175.10 175.01 2wbj s THR 64 N 0.75 5.19 -0.05 3.92 2.01 -0.12 -1.91 115.64 125.44 2wbj s THR 64 Ca -0.07 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.30 2wbj s THR 64 Cb -0.16 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.76 2wbj s THR 64 CO 0.00 0.36 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.02 2wbj s LEU 65 N -1.74 1.31 -0.44 4.42 2.96 -1.25 -2.17 118.68 121.77 2wbj s LEU 65 Ca 0.29 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2wbj s LEU 65 Cb -0.14 -0.51 0.13 0.00 0.50 0.00 0.00 46.19 46.18 2wbj s LEU 65 CO 0.16 -0.05 0.24 -0.62 -1.32 0.00 0.00 176.35 174.76 2wbj s ASP 66 N 0.99 3.68 0.01 3.68 3.68 -0.63 -4.73 116.67 123.34 2wbj s ASP 66 Ca -0.10 -2.64 0.14 0.00 2.13 0.00 0.00 52.55 52.08 2wbj s ASP 66 Cb -0.14 -1.06 0.59 0.00 -1.45 0.00 0.00 42.92 40.86 2wbj s ASP 66 CO -0.00 -0.27 1.44 0.35 0.13 0.00 0.00 175.17 176.82 2wbj n THR 67 N 3.53 1.08 -0.03 1.71 -2.24 -1.26 -1.98 114.28 115.09 2wbj n THR 67 Ca 0.08 0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 62.02 2wbj n THR 67 Cb 0.34 -1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 67.45 2wbj n THR 67 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wbj h SER 68 N 0.00 0.18 -0.69 3.42 0.02 -1.95 -3.25 113.55 111.28 2wbj h SER 68 Ca 0.00 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2wbj h SER 68 Cb 0.23 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2wbj h SER 68 CO 0.00 0.46 0.00 1.17 -1.14 0.00 0.00 176.83 177.32 2wbj n LYS 69 N -4.81 3.47 -3.95 3.45 3.00 -0.84 -4.98 118.16 113.51 2wbj n LYS 69 Ca -0.06 -2.85 -0.42 0.00 -0.00 0.00 0.00 58.31 54.98 2wbj n LYS 69 Cb 0.21 -1.81 0.03 0.00 0.00 0.00 0.00 35.03 33.45 2wbj n LYS 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2wbj n LYS 70 N 1.33 -0.56 -3.72 1.64 4.01 -0.84 -4.89 118.16 115.14 2wbj n LYS 70 Ca 0.26 0.22 -0.13 0.00 -0.51 0.00 0.00 58.31 58.14 2wbj n LYS 70 Cb 0.82 -2.95 -0.09 0.00 -0.51 0.00 0.00 35.03 32.30 2wbj n LYS 70 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2wbj s SER 71 N -3.48 -0.44 0.24 4.39 0.15 -1.16 -2.32 113.70 111.08 2wbj s SER 71 Ca 0.46 0.79 0.11 0.00 0.70 0.00 0.00 55.95 58.01 2wbj s SER 71 Cb -0.23 0.82 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 2wbj s SER 71 CO 0.94 -0.21 -0.17 -0.55 1.20 0.00 0.00 173.24 174.44 2wbj s SER 72 N -0.02 3.75 -0.02 5.45 0.15 -0.60 -1.61 113.70 120.81 2wbj s SER 72 Ca -0.02 -0.87 0.05 0.00 0.70 0.00 0.00 55.95 55.80 2wbj s SER 72 Cb -0.03 -0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 63.86 2wbj s SER 72 CO 0.01 0.07 -0.16 -0.94 1.20 0.00 0.00 173.24 173.42 2wbj s SER 73 N -3.19 1.88 -0.27 5.45 1.04 -0.92 -1.99 113.70 115.71 2wbj s SER 73 Ca 0.27 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 2wbj s SER 73 Cb -0.07 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.82 2wbj s SER 73 CO 0.14 0.19 0.01 -0.22 0.98 0.00 0.00 173.24 174.34 2wbj s LEU 74 N -0.32 3.48 -0.31 2.42 1.98 0.45 -0.94 118.68 125.44 2wbj s LEU 74 Ca 0.05 -0.71 -0.09 0.00 -2.89 0.00 0.00 54.13 50.50 2wbj s LEU 74 Cb -0.07 -1.79 0.01 0.00 0.66 0.00 0.00 46.19 45.00 2wbj s LEU 74 CO -0.00 -0.14 0.13 -0.22 -1.89 0.00 0.00 176.35 174.22 2wbj s LEU 75 N 1.44 4.08 -0.19 -0.68 2.96 0.79 -1.20 118.68 125.87 2wbj s LEU 75 Ca 0.02 -0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 53.21 2wbj s LEU 75 Cb -0.17 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2wbj s LEU 75 CO -0.01 -0.22 -0.00 -0.51 -1.32 0.00 0.00 176.35 174.29 2wbj s ILE 76 N 1.55 3.97 -0.25 6.68 1.10 -0.26 -0.80 121.20 133.19 2wbj s ILE 76 Ca 0.03 -0.31 -0.13 0.00 -0.51 0.00 0.00 60.65 59.73 2wbj s ILE 76 Cb -0.17 -2.79 -0.15 0.00 0.15 0.00 0.00 42.46 39.49 2wbj s ILE 76 CO 0.05 0.44 -0.15 0.35 -2.11 0.00 0.00 174.94 173.51 2wbj n THR 77 N 4.12 1.54 -3.42 4.00 -2.24 -1.06 -0.70 114.28 116.52 2wbj n THR 77 Ca -0.17 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 60.94 2wbj n THR 77 Cb 0.52 -1.84 -0.06 0.00 -2.10 0.00 0.00 70.33 66.85 2wbj n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wbj n ALA 78 N -3.81 4.20 -2.01 6.98 0.00 -1.26 -3.46 120.51 121.14 2wbj n ALA 78 Ca -0.47 -4.73 -0.43 0.00 0.00 0.00 0.00 53.44 47.82 2wbj n ALA 78 Cb 0.87 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 2wbj n ALA 78 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wbj s SER 79 N -1.88 6.41 0.66 0.00 1.04 -1.21 -4.99 113.70 113.73 2wbj s SER 79 Ca 0.35 1.91 -0.10 0.00 0.48 0.00 0.00 55.95 58.59 2wbj s SER 79 Cb 0.07 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.67 2wbj s SER 79 CO -0.02 -1.19 1.04 -0.13 0.98 0.00 0.00 173.24 173.92 2wbj s ARG 80 N 4.57 2.97 0.19 4.02 0.52 -1.26 -4.43 118.95 125.53 2wbj s ARG 80 Ca 0.75 0.38 -0.12 0.00 -0.52 0.00 0.00 55.73 56.22 2wbj s ARG 80 Cb -0.29 -2.10 0.16 0.00 0.52 0.00 0.00 34.95 33.24 2wbj s ARG 80 CO 0.30 -0.88 1.81 0.00 0.02 0.00 0.00 175.30 176.55 2wbj h ALA 81 N -0.48 0.75 0.00 2.13 0.00 -1.89 -2.80 119.26 116.97 2wbj h ALA 81 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wbj h ALA 81 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wbj h ALA 81 CO 0.63 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.89 2wbj n ALA 82 N -2.32 2.01 1.30 0.00 0.00 -1.26 -2.33 120.51 117.91 2wbj n ALA 82 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.63 2wbj n ALA 82 Cb 0.12 -1.00 0.43 0.00 0.00 0.00 0.00 19.45 19.01 2wbj n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wbj n ASP 83 N -0.17 0.98 -4.67 0.00 8.00 -1.06 -4.91 116.55 114.72 2wbj n ASP 83 Ca 0.00 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.18 2wbj n ASP 83 Cb 0.07 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 2wbj n ASP 83 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wbj s THR 84 N -2.44 3.44 -0.06 -3.53 2.01 -0.98 -4.90 115.64 109.18 2wbj s THR 84 Ca 0.27 0.70 -0.32 0.00 0.31 0.00 0.00 61.69 62.65 2wbj s THR 84 Cb 0.20 -3.45 0.13 0.00 0.01 0.00 0.00 72.50 69.39 2wbj s THR 84 CO 0.49 -0.03 1.37 0.00 -0.69 0.00 0.00 174.62 175.76 2wbj s ALA 85 N 3.36 -2.40 0.10 7.40 0.00 -1.07 -4.76 121.76 124.38 2wbj s ALA 85 Ca 0.72 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 2wbj s ALA 85 Cb -0.35 0.32 -0.07 0.00 0.00 0.00 0.00 23.12 23.03 2wbj s ALA 85 CO 0.30 -1.06 0.51 -1.54 0.00 0.00 0.00 175.76 173.97 2wbj s SER 86 N -3.04 6.85 -0.21 0.00 1.04 -1.26 -0.93 113.70 116.15 2wbj s SER 86 Ca 0.15 1.06 -0.00 0.00 0.48 0.00 0.00 55.95 57.64 2wbj s SER 86 Cb 0.06 -2.28 0.02 0.00 0.10 0.00 0.00 66.02 63.92 2wbj s SER 86 CO -0.05 0.18 -0.13 -0.31 0.98 0.00 0.00 173.24 173.91 2wbj s TYR 87 N -1.32 2.91 0.13 5.02 1.51 0.99 -0.25 117.35 126.34 2wbj s TYR 87 Ca 0.33 -1.53 0.10 0.00 -1.01 0.00 0.00 57.07 54.97 2wbj s TYR 87 Cb -0.16 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2wbj s TYR 87 CO 0.18 -0.74 -0.25 -0.06 -1.11 0.00 0.00 175.55 173.57 2wbj s PHE 88 N 1.32 2.19 -0.03 2.71 0.40 0.21 -1.67 117.98 123.11 2wbj s PHE 88 Ca 0.03 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 2wbj s PHE 88 Cb -0.15 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.21 2wbj s PHE 88 CO -0.09 0.33 -0.11 0.00 0.70 0.00 0.00 175.22 176.05 2wbj s ALA 90 N 0.15 1.81 -0.02 0.00 0.00 0.10 -1.11 121.76 122.69 2wbj s ALA 90 Ca -0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 2wbj s ALA 90 Cb -0.09 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2wbj s ALA 90 CO 0.01 0.41 0.05 0.95 0.00 0.00 0.00 175.76 177.18 2wbj s THR 91 N -0.81 -0.01 -0.05 0.00 -4.23 -0.89 -0.41 115.64 109.24 2wbj s THR 91 Ca 0.08 0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.49 2wbj s THR 91 Cb -0.09 -0.08 -0.05 0.00 1.34 0.00 0.00 72.50 73.61 2wbj s THR 91 CO 0.02 0.02 0.35 1.51 -0.54 0.00 0.00 174.62 175.98 2wbj s ASP 92 N 0.23 6.68 0.08 3.99 -4.77 -1.07 -1.28 116.67 120.51 2wbj s ASP 92 Ca -0.02 0.80 -0.24 0.00 -3.30 0.00 0.00 52.55 49.79 2wbj s ASP 92 Cb -0.03 -2.21 -0.06 0.00 -1.09 0.00 0.00 42.92 39.53 2wbj s ASP 92 CO -0.01 0.28 0.74 0.42 0.70 0.00 0.00 175.17 177.30 2wbj s THR 93 N -0.70 4.64 0.27 2.11 -4.23 -1.26 -1.86 115.64 114.62 2wbj s THR 93 Ca 0.21 1.59 -0.29 0.00 -1.18 0.00 0.00 61.69 62.02 2wbj s THR 93 Cb -0.15 -4.09 -0.09 0.00 1.34 0.00 0.00 72.50 69.50 2wbj s THR 93 CO 0.10 0.43 1.06 0.28 -0.54 0.00 0.00 174.62 175.95 2wbj s THR 94 N -0.44 3.63 -1.70 3.99 -1.32 -0.73 -2.97 115.64 116.10 2wbj s THR 94 Ca 0.36 1.63 -0.01 0.00 -1.21 0.00 0.00 61.69 62.47 2wbj s THR 94 Cb -0.21 -4.03 0.00 0.00 -1.51 0.00 0.00 72.50 66.75 2wbj s THR 94 CO 0.23 0.38 0.10 -1.20 -2.21 0.00 0.00 174.62 171.92 2wbj n SER 95 N 1.21 -5.83 0.00 8.08 7.64 -1.26 -4.93 113.62 118.53 2wbj n SER 95 Ca -0.01 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2wbj n SER 95 Cb 0.45 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 2wbj n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wbj n GLY 96 N -1.10 5.00 0.00 0.23 0.00 -1.16 -5.17 105.19 103.00 2wbj n GLY 96 Ca -0.22 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2wbj n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wbj n THR 97 N 0.00 0.00 0.86 2.61 -2.24 -1.26 -5.00 114.28 109.25 2wbj n THR 97 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2wbj n THR 97 Cb 0.00 -1.63 0.48 0.00 -2.10 0.00 0.00 70.33 67.07 2wbj n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wbj n TYR 98 N -1.37 0.30 -2.00 4.78 4.01 -1.26 -4.71 117.16 116.91 2wbj n TYR 98 Ca 0.00 0.09 -0.41 0.00 -0.16 0.00 0.00 57.90 57.42 2wbj n TYR 98 Cb 0.00 -0.60 -0.02 0.00 -0.31 0.00 0.00 39.34 38.40 2wbj n TYR 98 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2wbj s LYS 99 N -3.04 4.26 -0.12 -0.72 -2.85 -1.26 -4.91 119.74 111.10 2wbj s LYS 99 Ca 0.12 2.32 -0.16 0.00 -1.00 0.00 0.00 55.97 57.25 2wbj s LYS 99 Cb 0.17 -3.09 -0.05 0.00 -2.06 0.00 0.00 37.83 32.79 2wbj s LYS 99 CO 0.59 -0.41 0.39 0.71 0.10 0.00 0.00 175.35 176.73 2wbj s TYR 100 N -0.18 3.51 -0.07 1.78 2.02 -1.26 -4.19 117.35 118.96 2wbj s TYR 100 Ca 0.58 0.78 0.01 0.00 -0.37 0.00 0.00 57.07 58.07 2wbj s TYR 100 Cb -0.42 -2.44 -0.03 0.00 -0.40 0.00 0.00 41.96 38.67 2wbj s TYR 100 CO 0.45 0.25 -0.08 0.96 -1.57 0.00 0.00 175.55 175.56 2wbj s ILE 101 N 0.39 3.58 -0.13 2.71 -4.36 -0.41 -4.84 121.20 118.15 2wbj s ILE 101 Ca 0.22 -0.52 -0.21 0.00 -0.26 0.00 0.00 60.65 59.88 2wbj s ILE 101 Cb -0.14 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 2wbj s ILE 101 CO 0.08 0.59 0.62 -0.36 0.24 0.00 0.00 174.94 176.11 2wbj s PHE 102 N -0.73 3.49 1.04 1.37 0.40 -1.26 -2.11 117.98 120.18 2wbj s PHE 102 Ca 0.11 1.04 -0.13 0.00 -0.60 0.00 0.00 56.93 57.35 2wbj s PHE 102 Cb -0.11 -2.73 0.21 0.00 0.51 0.00 0.00 43.02 40.90 2wbj s PHE 102 CO 0.01 0.02 1.08 0.20 0.70 0.00 0.00 175.22 177.24 2wbj s GLY 103 N 0.88 1.56 0.46 4.36 0.00 -0.27 -5.01 107.32 109.30 2wbj s GLY 103 Ca 0.31 -0.39 -0.23 0.00 0.00 0.00 0.00 44.72 44.41 2wbj s GLY 103 CO 0.13 0.27 1.22 -1.08 0.00 0.00 0.00 173.10 173.63 2wbj s THR 104 N -2.90 2.87 0.46 0.90 -1.32 -1.26 -4.67 115.64 109.72 2wbj s THR 104 Ca 0.66 0.67 0.07 0.00 -1.21 0.00 0.00 61.69 61.88 2wbj s THR 104 Cb -0.19 -3.35 -0.00 0.00 -1.51 0.00 0.00 72.50 67.44 2wbj s THR 104 CO 0.59 0.01 0.36 -0.83 -2.21 0.00 0.00 174.62 172.54 2wbj s GLY 105 N -1.19 2.24 -0.07 6.08 0.00 -1.26 -4.74 107.32 108.39 2wbj s GLY 105 Ca 0.63 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 43.65 2wbj s GLY 105 CO 0.39 -1.82 -0.16 -0.51 0.00 0.00 0.00 173.10 171.00 2wbj s THR 106 N -2.60 1.40 -0.05 0.90 -4.23 -0.67 -2.44 115.64 107.94 2wbj s THR 106 Ca 0.43 -0.65 -0.25 0.00 -1.18 0.00 0.00 61.69 60.04 2wbj s THR 106 Cb -0.02 -1.24 -0.03 0.00 1.34 0.00 0.00 72.50 72.55 2wbj s THR 106 CO 0.25 0.41 0.76 -0.13 -0.54 0.00 0.00 174.62 175.37 2wbj s ARG 107 N 0.44 4.46 -0.10 3.99 0.52 0.56 -0.01 118.95 128.81 2wbj s ARG 107 Ca -0.13 0.99 0.02 0.00 -0.52 0.00 0.00 55.73 56.10 2wbj s ARG 107 Cb -0.15 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2wbj s ARG 107 CO 0.04 0.04 -0.17 -1.17 0.02 0.00 0.00 175.30 174.06 2wbj s LEU 108 N 0.86 2.49 -0.21 2.53 2.96 -0.10 -1.31 118.68 125.90 2wbj s LEU 108 Ca 0.41 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2wbj s LEU 108 Cb -0.18 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.00 2wbj s LEU 108 CO 0.20 0.20 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.76 2wbj s LYS 109 N 0.11 3.05 -0.35 1.98 1.02 -0.39 -2.59 119.74 122.56 2wbj s LYS 109 Ca -0.08 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 55.01 2wbj s LYS 109 Cb -0.15 -2.77 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 2wbj s LYS 109 CO 0.05 -0.25 0.15 0.08 -0.92 0.00 0.00 175.35 174.46 2wbj s VAL 110 N 1.34 4.18 0.00 3.17 1.01 -1.26 -1.87 120.40 126.98 2wbj s VAL 110 Ca 0.04 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 2wbj s VAL 110 Cb -0.14 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2wbj s VAL 110 CO -0.09 -0.16 0.33 -0.76 0.00 0.00 0.00 175.10 174.42 2wbj s LEU 111 N 1.49 4.40 0.84 3.92 1.43 0.49 -4.67 118.68 126.58 2wbj s LEU 111 Ca 0.01 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.73 2wbj s LEU 111 Cb -0.19 -2.62 0.10 0.00 0.03 0.00 0.00 46.19 43.51 2wbj s LEU 111 CO 0.05 0.28 1.13 -2.16 0.23 0.00 0.00 176.35 175.88 2wbj s PRO 112 N -1.44 1.72 -0.53 1.29 0.04 -1.26 -4.15 135.00 130.67 2wbj s PRO 112 Ca 0.25 0.36 -0.18 0.00 0.04 0.00 0.00 61.00 61.48 2wbj s PRO 112 Cb -0.14 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.58 2wbj s PRO 112 CO 0.14 -1.81 0.59 -0.80 0.04 0.00 0.00 177.00 175.16 2wbj s ASN 113 N -4.14 6.19 -0.81 6.66 -0.87 -1.26 -4.66 114.94 116.05 2wbj s ASN 113 Ca 0.62 -1.24 -0.26 0.00 -1.57 0.00 0.00 52.86 50.41 2wbj s ASN 113 Cb -0.14 -2.26 0.03 0.00 -0.02 0.00 0.00 41.25 38.86 2wbj s ASN 113 CO 0.53 -0.91 1.39 -0.63 -2.57 0.00 0.00 177.10 174.90 2wbj s ILE 114 N 2.35 3.74 0.07 0.60 -1.09 -1.26 -4.83 121.20 120.78 2wbj s ILE 114 Ca 0.11 0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.50 2wbj s ILE 114 Cb -0.23 -4.86 -0.29 0.00 -1.58 0.00 0.00 42.46 35.50 2wbj s ILE 114 CO 0.08 -1.79 1.13 -0.61 -1.23 0.00 0.00 174.94 172.53 2wbj h GLN 115 N 10.35 0.35 -3.26 2.79 5.75 -1.95 -3.39 115.11 125.74 2wbj h GLN 115 Ca -0.13 -0.56 -0.64 0.00 -0.15 0.00 0.00 58.65 57.17 2wbj h GLN 115 Cb 1.05 0.20 -0.41 0.00 1.07 0.00 0.00 27.48 29.39 2wbj h GLN 115 CO 1.32 1.26 -0.55 -0.80 -2.65 0.00 0.00 178.83 177.40 2wbj s ASN 116 N -7.23 4.71 0.10 -0.69 0.01 -1.26 -5.09 114.94 105.48 2wbj s ASN 116 Ca -0.05 -3.42 -0.28 0.00 -0.71 0.00 0.00 52.86 48.40 2wbj s ASN 116 Cb 0.07 -1.67 -0.06 0.00 0.41 0.00 0.00 41.25 39.99 2wbj s ASN 116 CO 0.90 -0.17 0.88 -2.16 -1.51 0.00 0.00 177.10 175.03 2wbj s PRO 117 N -0.85 4.63 -0.42 -0.60 0.04 -1.26 -5.01 135.00 131.52 2wbj s PRO 117 Ca 0.21 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.56 2wbj s PRO 117 Cb -0.15 -3.36 0.15 0.00 0.04 0.00 0.00 34.50 31.18 2wbj s PRO 117 CO -0.08 0.28 0.28 0.16 0.04 0.00 0.00 177.00 177.67 2wbj s ASP 118 N -0.16 2.86 0.29 6.66 3.84 -0.92 -5.04 116.67 124.21 2wbj s ASP 118 Ca 0.43 -2.68 -0.29 0.00 -0.00 0.00 0.00 52.55 50.00 2wbj s ASP 118 Cb -0.22 -0.67 -0.10 0.00 -1.38 0.00 0.00 42.92 40.54 2wbj s ASP 118 CO 0.27 -0.24 1.43 -2.84 -0.00 0.00 0.00 175.17 173.79 2wbj s PRO 119 N 0.40 4.25 0.08 2.11 0.02 -0.87 -4.63 135.00 136.36 2wbj s PRO 119 Ca 0.23 2.35 -0.19 0.00 0.02 0.00 0.00 61.00 63.41 2wbj s PRO 119 Cb -0.14 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.35 2wbj s PRO 119 CO -0.06 -0.39 0.44 0.00 -0.33 0.00 0.00 177.00 176.66 2wbj s ALA 120 N -0.48 -1.09 -0.20 -1.55 0.00 -0.44 -3.42 121.76 114.57 2wbj s ALA 120 Ca 0.56 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2wbj s ALA 120 Cb -0.43 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2wbj s ALA 120 CO 0.49 -0.56 -0.15 0.08 0.00 0.00 0.00 175.76 175.62 2wbj s VAL 121 N -3.05 2.35 0.03 0.00 1.01 -1.13 -0.95 120.40 118.66 2wbj s VAL 121 Ca -0.02 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2wbj s VAL 121 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2wbj s VAL 121 CO -0.07 0.43 -0.08 -0.31 0.00 0.00 0.00 175.10 175.07 2wbj s TYR 122 N 1.30 2.83 -0.16 5.22 2.02 -0.40 -4.52 117.35 123.64 2wbj s TYR 122 Ca 0.03 -0.09 -0.17 0.00 -0.37 0.00 0.00 57.07 56.48 2wbj s TYR 122 Cb -0.14 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 2wbj s TYR 122 CO -0.10 0.38 0.44 -1.14 -1.57 0.00 0.00 175.55 173.55 2wbj s GLN 123 N -1.63 4.26 -0.08 -0.62 2.00 -1.26 -1.34 119.66 120.99 2wbj s GLN 123 Ca 0.18 0.33 0.03 0.00 -2.00 0.00 0.00 55.36 53.90 2wbj s GLN 123 Cb -0.11 -3.49 -0.02 0.00 0.80 0.00 0.00 33.01 30.20 2wbj s GLN 123 CO 0.09 0.06 -0.17 -0.51 -0.50 0.00 0.00 175.29 174.26 2wbj s LEU 124 N 0.98 2.54 0.33 3.68 1.02 -0.67 -5.04 118.68 121.52 2wbj s LEU 124 Ca 0.22 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 54.07 2wbj s LEU 124 Cb -0.15 -1.52 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 2wbj s LEU 124 CO 0.09 0.26 0.36 -0.60 0.02 0.00 0.00 176.35 176.47 2wbj s ARG 125 N -0.23 1.79 0.00 1.70 3.52 -1.26 -3.46 118.95 121.02 2wbj s ARG 125 Ca 0.00 -1.88 0.00 0.00 -0.13 0.00 0.00 55.73 53.72 2wbj s ARG 125 Cb -0.13 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 2wbj s ARG 125 CO 0.03 -0.70 0.00 0.43 -0.81 0.00 0.00 175.30 174.25 2wbj n SER 129 N -1.41 0.00 -3.95 -2.12 7.64 -1.26 -5.11 113.62 107.41 2wbj n SER 129 Ca 0.04 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.83 2wbj n SER 129 Cb 0.62 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.72 2wbj n SER 129 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2wbj s SER 130 N -1.31 0.18 0.00 6.43 0.01 -1.26 -5.18 113.70 112.57 2wbj s SER 130 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2wbj s SER 130 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2wbj s SER 130 CO 0.00 -0.33 0.00 -0.67 0.41 0.00 0.00 173.24 172.65 2wbj n ASP 131 N 1.53 0.00 -0.27 2.44 2.03 -1.26 -4.98 116.55 116.05 2wbj n ASP 131 Ca -0.24 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.11 2wbj n ASP 131 Cb 0.55 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.94 2wbj n ASP 131 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wbj n LYS 132 N 0.00 -0.59 -3.66 -0.67 4.76 -1.26 -5.07 118.16 111.67 2wbj n LYS 132 Ca 0.00 0.45 -0.07 0.00 -2.87 0.00 0.00 58.31 55.82 2wbj n LYS 132 Cb 0.00 -0.70 -0.08 0.00 -1.84 0.00 0.00 35.03 32.41 2wbj n LYS 132 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wbj s SER 133 N -5.20 -0.75 -0.11 4.39 0.15 -1.02 -4.93 113.70 106.23 2wbj s SER 133 Ca 0.00 1.26 -0.02 0.00 0.70 0.00 0.00 55.95 57.90 2wbj s SER 133 Cb 0.00 1.37 -0.03 0.00 -1.71 0.00 0.00 66.02 65.65 2wbj s SER 133 CO 0.00 -0.22 -0.04 0.68 1.20 0.00 0.00 173.24 174.86 2wbj s VAL 134 N 1.96 3.91 0.11 4.45 -7.23 -1.22 -2.88 120.40 119.50 2wbj s VAL 134 Ca -0.08 -0.38 0.04 0.00 -1.81 0.00 0.00 61.98 59.75 2wbj s VAL 134 Cb -0.08 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2wbj s VAL 134 CO -0.17 0.55 0.10 0.00 -0.31 0.00 0.00 175.10 175.28 2wbj s LEU 136 N -2.64 1.68 -0.22 0.00 2.96 -0.45 -1.10 118.68 118.91 2wbj s LEU 136 Ca 0.30 -1.02 -0.22 0.00 -0.22 0.00 0.00 54.13 52.97 2wbj s LEU 136 Cb -0.11 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 2wbj s LEU 136 CO 0.23 -0.30 0.71 0.12 -1.32 0.00 0.00 176.35 175.78 2wbj s PHE 137 N 1.71 3.34 0.15 5.38 5.36 -0.07 -1.27 117.98 132.58 2wbj s PHE 137 Ca -0.01 0.99 -0.14 0.00 -0.96 0.00 0.00 56.93 56.82 2wbj s PHE 137 Cb -0.18 -2.90 0.02 0.00 -0.34 0.00 0.00 43.02 39.62 2wbj s PHE 137 CO -0.10 -0.28 0.38 -0.08 -1.46 0.00 0.00 175.22 173.68 2wbj s THR 138 N 2.35 0.06 -1.51 0.12 -1.32 -0.12 -0.42 115.64 114.79 2wbj s THR 138 Ca 0.31 -0.94 -0.01 0.00 -1.21 0.00 0.00 61.69 59.84 2wbj s THR 138 Cb -0.16 -1.50 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 2wbj s THR 138 CO 0.09 -0.29 0.15 0.47 -2.21 0.00 0.00 174.62 172.84 2wbj n ASP 139 N -0.24 -5.40 -4.91 8.08 9.92 -0.76 -1.33 116.55 121.91 2wbj n ASP 139 Ca -0.12 -0.09 -0.30 0.00 -0.53 0.00 0.00 54.79 53.76 2wbj n ASP 139 Cb 0.63 -4.40 -0.04 0.00 -0.64 0.00 0.00 41.12 36.67 2wbj n ASP 139 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2wbj s PHE 140 N -2.97 3.48 0.75 1.24 -0.12 -1.26 -2.06 117.98 117.05 2wbj s PHE 140 Ca 0.08 0.45 -0.13 0.00 -0.05 0.00 0.00 56.93 57.27 2wbj s PHE 140 Cb -0.03 -1.92 0.05 0.00 -0.63 0.00 0.00 43.02 40.48 2wbj s PHE 140 CO 0.09 0.43 1.13 0.16 -0.05 0.00 0.00 175.22 176.99 2wbj s ASP 141 N -2.70 4.33 0.00 1.98 3.84 -1.26 -4.39 116.67 118.47 2wbj s ASP 141 Ca 0.39 2.06 0.03 0.00 -0.00 0.00 0.00 52.55 55.04 2wbj s ASP 141 Cb -0.12 -2.55 0.21 0.00 -1.38 0.00 0.00 42.92 39.08 2wbj s ASP 141 CO 0.27 -2.16 0.73 -1.20 -0.00 0.00 0.00 175.17 172.81 2wbj n SER 142 N -3.14 0.00 -1.14 2.11 7.64 -1.26 -2.36 113.62 115.47 2wbj n SER 142 Ca 0.11 -0.99 0.11 0.00 1.01 0.00 0.00 58.87 59.11 2wbj n SER 142 Cb 0.52 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.95 2wbj n SER 142 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wbj n GLN 143 N -0.60 2.51 -3.64 1.43 6.02 -1.26 -4.92 117.38 116.92 2wbj n GLN 143 Ca 0.03 -2.33 -0.38 0.00 -0.01 0.00 0.00 57.00 54.31 2wbj n GLN 143 Cb 0.01 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.66 2wbj n GLN 143 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2wbj s THR 144 N -1.31 4.78 0.07 5.09 2.01 -0.99 -5.08 115.64 120.20 2wbj s THR 144 Ca 0.39 -0.23 -0.24 0.00 0.31 0.00 0.00 61.69 61.92 2wbj s THR 144 Cb 0.22 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 2wbj s THR 144 CO 0.30 0.15 0.74 0.20 -0.69 0.00 0.00 174.62 175.32 2wbj s ASN 145 N 1.66 7.23 -0.25 3.53 0.01 -1.26 -5.02 114.94 120.83 2wbj s ASN 145 Ca 0.06 1.46 -0.10 0.00 -0.71 0.00 0.00 52.86 53.57 2wbj s ASN 145 Cb -0.16 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 2wbj s ASN 145 CO 0.07 0.09 0.14 -0.69 -1.51 0.00 0.00 177.10 175.20 2wbj s VAL 146 N -0.41 5.05 0.37 1.60 1.01 -1.26 -4.85 120.40 121.91 2wbj s VAL 146 Ca 0.37 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.46 2wbj s VAL 146 Cb -0.21 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2wbj s VAL 146 CO 0.23 0.32 0.54 -0.44 0.00 0.00 0.00 175.10 175.75 2wbj s SER 147 N 1.40 5.94 0.97 3.32 0.01 -1.26 -4.91 113.70 119.17 2wbj s SER 147 Ca 0.07 0.01 -0.13 0.00 1.31 0.00 0.00 55.95 57.21 2wbj s SER 147 Cb -0.15 -1.39 0.17 0.00 0.21 0.00 0.00 66.02 64.86 2wbj s SER 147 CO 0.07 -0.51 1.14 -1.10 0.41 0.00 0.00 173.24 173.25 2wbj s GLN 148 N -4.31 0.67 0.47 12.44 -1.52 -1.26 -4.97 119.66 121.18 2wbj s GLN 148 Ca 0.45 0.23 -0.22 0.00 -1.95 0.00 0.00 55.36 53.88 2wbj s GLN 148 Cb -0.10 -1.79 -0.08 0.00 -0.22 0.00 0.00 33.01 30.82 2wbj s GLN 148 CO 0.34 -2.50 1.09 -1.54 -0.25 0.00 0.00 175.29 172.42 2wbj s SER 149 N -3.97 6.30 -0.01 5.90 1.04 -1.26 -4.98 113.70 116.71 2wbj s SER 149 Ca 0.66 2.09 -0.12 0.00 0.48 0.00 0.00 55.95 59.06 2wbj s SER 149 Cb -0.14 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.33 2wbj s SER 149 CO 0.54 -0.82 0.67 0.11 0.98 0.00 0.00 173.24 174.72 2wbj h LYS 150 N 1.86 -0.40 -6.33 4.02 1.79 -1.92 -3.42 116.57 112.16 2wbj h LYS 150 Ca -0.49 0.03 -0.55 0.00 -2.18 0.00 0.00 60.65 57.46 2wbj h LYS 150 Cb 1.23 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.95 2wbj h LYS 150 CO 0.60 -0.27 0.51 0.34 -1.08 0.00 0.00 179.45 179.55 2wbj s ASP 151 N -3.92 7.26 0.05 0.86 2.15 -1.26 -4.95 116.67 116.86 2wbj s ASP 151 Ca -0.06 1.64 0.17 0.00 0.43 0.00 0.00 52.55 54.73 2wbj s ASP 151 Cb 0.01 -2.56 0.73 0.00 -0.30 0.00 0.00 42.92 40.80 2wbj s ASP 151 CO 0.18 -0.40 1.55 -1.54 -0.17 0.00 0.00 175.17 174.80 2wbj n SER 152 N 4.55 0.14 -1.97 -0.34 3.41 -1.26 -1.71 113.62 116.43 2wbj n SER 152 Ca 0.08 0.53 -0.02 0.00 -0.26 0.00 0.00 58.87 59.20 2wbj n SER 152 Cb 0.49 -0.56 0.34 0.00 -0.26 0.00 0.00 64.21 64.22 2wbj n SER 152 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wbj n ASP 153 N -1.65 5.13 -4.51 4.04 9.92 -1.26 -4.86 116.55 123.37 2wbj n ASP 153 Ca 0.04 -3.11 -0.30 0.00 -0.53 0.00 0.00 54.79 50.89 2wbj n ASP 153 Cb 0.20 -0.73 -0.11 0.00 -0.64 0.00 0.00 41.12 39.84 2wbj n ASP 153 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wbj s VAL 154 N -2.88 2.99 -0.10 2.53 1.01 -0.70 -4.73 120.40 118.51 2wbj s VAL 154 Ca 0.54 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2wbj s VAL 154 Cb 0.43 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2wbj s VAL 154 CO 0.14 0.17 -0.19 -0.31 0.00 0.00 0.00 175.10 174.91 2wbj s TYR 155 N -1.10 2.22 -0.11 5.22 1.51 -0.61 -4.71 117.35 119.76 2wbj s TYR 155 Ca 0.18 -0.98 -0.01 0.00 -1.01 0.00 0.00 57.07 55.25 2wbj s TYR 155 Cb -0.11 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.24 2wbj s TYR 155 CO 0.10 -0.45 -0.06 0.42 -1.11 0.00 0.00 175.55 174.45 2wbj s ILE 156 N 0.68 0.90 0.75 2.71 1.01 -1.26 -1.25 121.20 124.73 2wbj s ILE 156 Ca -0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 2wbj s ILE 156 Cb -0.16 -0.95 0.04 0.00 0.01 0.00 0.00 42.46 41.39 2wbj s ILE 156 CO 0.03 0.33 1.08 0.42 0.00 0.00 0.00 174.94 176.80 2wbj s THR 157 N 1.76 3.45 0.83 2.92 -4.23 -0.52 -4.91 115.64 114.94 2wbj s THR 157 Ca 0.05 0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 2wbj s THR 157 Cb -0.13 -3.27 0.09 0.00 1.34 0.00 0.00 72.50 70.53 2wbj s THR 157 CO -0.08 -0.61 1.12 -0.62 -0.54 0.00 0.00 174.62 173.89 2wbj s ASP 158 N -3.97 4.21 0.31 3.99 -1.08 -1.26 -4.49 116.67 114.38 2wbj s ASP 158 Ca 0.59 1.14 -0.29 0.00 -0.52 0.00 0.00 52.55 53.48 2wbj s ASP 158 Cb -0.14 -1.81 -0.10 0.00 -1.46 0.00 0.00 42.92 39.42 2wbj s ASP 158 CO 0.54 -2.13 1.17 -1.59 0.52 0.00 0.00 175.17 173.69 2wbj s LYS 159 N -5.24 4.47 0.06 4.34 -2.85 -1.26 -4.57 119.74 114.68 2wbj s LYS 159 Ca 0.62 1.94 0.01 0.00 -1.00 0.00 0.00 55.97 57.53 2wbj s LYS 159 Cb -0.14 -3.07 -0.03 0.00 -2.06 0.00 0.00 37.83 32.52 2wbj s LYS 159 CO 0.53 0.01 -0.05 0.99 0.10 0.00 0.00 175.35 176.93 2wbj s THR 160 N -1.20 0.43 -0.07 3.79 2.01 -0.29 -4.94 115.64 115.37 2wbj s THR 160 Ca 0.48 -1.48 -0.15 0.00 0.31 0.00 0.00 61.69 60.85 2wbj s THR 160 Cb -0.34 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 2wbj s THR 160 CO 0.44 -0.70 0.38 -0.69 -0.69 0.00 0.00 174.62 173.36 2wbj s VAL 161 N -2.67 5.16 -0.06 3.82 1.01 -1.26 -1.66 120.40 124.75 2wbj s VAL 161 Ca -0.01 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.77 2wbj s VAL 161 Cb -0.01 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2wbj s VAL 161 CO -0.04 0.48 -0.17 -1.48 0.00 0.00 0.00 175.10 173.88 2wbj s LEU 162 N -0.30 2.54 -0.32 3.92 2.34 -0.49 -4.98 118.68 121.39 2wbj s LEU 162 Ca 0.22 -0.30 -0.07 0.00 0.06 0.00 0.00 54.13 54.03 2wbj s LEU 162 Cb -0.15 -1.51 0.02 0.00 -0.56 0.00 0.00 46.19 43.99 2wbj s LEU 162 CO 0.10 0.29 0.11 -0.62 -1.06 0.00 0.00 176.35 175.17 2wbj s ASP 163 N -0.43 5.29 -0.79 1.48 2.15 -1.26 -2.12 116.67 120.99 2wbj s ASP 163 Ca 0.05 -0.93 -0.20 0.00 0.43 0.00 0.00 52.55 51.90 2wbj s ASP 163 Cb -0.12 -1.90 0.11 0.00 -0.30 0.00 0.00 42.92 40.72 2wbj s ASP 163 CO 0.02 -0.28 0.99 -0.04 -0.17 0.00 0.00 175.17 175.69 2wbj s MET 164 N 1.47 3.37 0.27 4.34 -1.94 0.28 -4.91 119.30 122.18 2wbj s MET 164 Ca 0.01 -1.46 0.00 0.00 -1.71 0.00 0.00 55.69 52.53 2wbj s MET 164 Cb -0.18 -4.59 0.39 0.00 2.01 0.00 0.00 34.83 32.46 2wbj s MET 164 CO 0.03 -1.72 1.75 0.00 -0.01 0.00 0.00 175.02 175.07 2wbj h ARG 165 N 9.05 0.64 0.00 2.03 -0.00 -1.97 -0.45 114.38 123.68 2wbj h ARG 165 Ca -0.05 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.98 59.22 2wbj h ARG 165 Cb 1.05 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.95 2wbj h ARG 165 CO 1.11 0.74 -0.08 0.66 0.00 0.00 0.00 179.97 182.40 2wbj h SER 166 N 0.59 0.00 -0.01 7.04 4.64 -1.96 -2.90 113.55 120.95 2wbj h SER 166 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2wbj h SER 166 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2wbj h SER 166 CO 0.03 0.08 -0.05 0.23 -0.87 0.00 0.00 176.83 176.25 2wbj n MET 167 N -3.74 0.91 -3.76 4.77 2.81 -1.04 -5.02 117.12 112.04 2wbj n MET 167 Ca -0.02 -0.65 -0.31 0.00 -1.81 0.00 0.00 57.70 54.90 2wbj n MET 167 Cb 0.18 -1.03 0.02 0.00 -0.71 0.00 0.00 33.22 31.69 2wbj n MET 167 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2wbj n ASP 168 N 0.01 -5.13 -3.76 7.83 10.43 -0.26 -5.01 116.55 120.66 2wbj n ASP 168 Ca 0.03 -1.00 -0.16 0.00 2.57 0.00 0.00 54.79 56.23 2wbj n ASP 168 Cb 0.12 -2.68 -0.16 0.00 1.84 0.00 0.00 41.12 40.24 2wbj n ASP 168 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 2wbj s PHE 169 N -3.32 0.04 0.05 1.24 5.36 -0.71 -5.02 117.98 115.62 2wbj s PHE 169 Ca 0.33 0.14 0.05 0.00 -0.96 0.00 0.00 56.93 56.50 2wbj s PHE 169 Cb -0.14 -0.28 -0.04 0.00 -0.34 0.00 0.00 43.02 42.22 2wbj s PHE 169 CO 0.89 -0.10 -0.10 0.15 -1.46 0.00 0.00 175.22 174.59 2wbj s LYS 170 N 1.23 2.30 -0.04 10.12 1.02 -1.26 -0.56 119.74 132.56 2wbj s LYS 170 Ca -0.07 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 54.98 2wbj s LYS 170 Cb -0.13 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2wbj s LYS 170 CO -0.03 0.55 0.14 -1.54 -0.92 0.00 0.00 175.35 173.55 2wbj s SER 171 N -1.71 -0.11 0.35 2.83 1.04 -0.90 -4.94 113.70 110.26 2wbj s SER 171 Ca 0.18 0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.61 2wbj s SER 171 Cb -0.11 0.27 -0.10 0.00 0.10 0.00 0.00 66.02 66.19 2wbj s SER 171 CO 0.09 -0.12 0.82 0.20 0.98 0.00 0.00 173.24 175.22 2wbj s ASN 172 N -0.25 6.89 -0.11 7.02 0.01 -1.26 -1.39 114.94 125.84 2wbj s ASN 172 Ca -0.03 1.47 -0.20 0.00 -0.71 0.00 0.00 52.86 53.39 2wbj s ASN 172 Cb -0.03 -2.45 0.05 0.00 0.41 0.00 0.00 41.25 39.23 2wbj s ASN 172 CO 0.00 -0.23 0.49 -0.94 -1.51 0.00 0.00 177.10 174.91 2wbj s SER 173 N -2.15 -0.46 0.03 -1.22 1.04 -0.66 -1.83 113.70 108.44 2wbj s SER 173 Ca 0.56 0.68 0.02 0.00 0.48 0.00 0.00 55.95 57.69 2wbj s SER 173 Cb -0.11 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 2wbj s SER 173 CO 0.16 -0.35 -0.07 0.00 0.98 0.00 0.00 173.24 173.97 2wbj s ALA 174 N -0.51 0.55 -0.10 5.32 0.00 0.43 -1.14 121.76 126.32 2wbj s ALA 174 Ca -0.06 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.33 2wbj s ALA 174 Cb -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2wbj s ALA 174 CO 0.04 0.04 -0.11 0.08 0.00 0.00 0.00 175.76 175.81 2wbj s VAL 175 N -0.91 3.33 -0.09 0.00 1.01 -1.26 -0.89 120.40 121.59 2wbj s VAL 175 Ca -0.05 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2wbj s VAL 175 Cb -0.07 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 2wbj s VAL 175 CO 0.00 0.56 -0.24 0.00 0.00 0.00 0.00 175.10 175.42 2wbj s ALA 176 N -0.23 2.11 0.03 5.51 0.00 -0.26 -1.43 121.76 127.49 2wbj s ALA 176 Ca 0.02 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 2wbj s ALA 176 Cb -0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2wbj s ALA 176 CO 0.03 0.31 0.02 1.67 0.00 0.00 0.00 175.76 177.78 2wbj s TRP 177 N 0.25 0.29 -0.03 0.00 -2.14 -0.38 0.59 118.94 117.51 2wbj s TRP 177 Ca -0.15 -0.61 -0.23 0.00 2.66 0.00 0.00 56.10 57.76 2wbj s TRP 177 Cb -0.17 -0.21 0.05 0.00 -3.10 0.00 0.00 33.47 30.04 2wbj s TRP 177 CO 0.08 -0.29 0.50 0.45 -2.66 0.00 0.00 176.95 175.02 2wbj s SER 178 N -1.98 -0.43 0.00 -2.66 0.15 -1.14 -1.57 113.70 106.07 2wbj s SER 178 Ca -0.07 0.41 0.22 0.00 0.70 0.00 0.00 55.95 57.20 2wbj s SER 178 Cb -0.03 0.43 0.69 0.00 -1.71 0.00 0.00 66.02 65.40 2wbj s SER 178 CO -0.04 -0.53 1.52 -0.46 1.20 0.00 0.00 173.24 174.93 2wbj n ASN 179 N 1.09 2.01 -4.66 5.45 6.94 -1.26 -2.45 115.26 122.39 2wbj n ASN 179 Ca -0.20 -1.76 -0.45 0.00 -0.02 0.00 0.00 54.58 52.15 2wbj n ASN 179 Cb 0.56 -0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 37.84 2wbj n ASN 179 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2wbj n LYS 180 N 0.55 1.91 0.10 -3.83 5.02 -1.26 -4.86 118.16 115.79 2wbj n LYS 180 Ca 0.17 0.68 -0.02 0.00 -2.02 0.00 0.00 58.31 57.12 2wbj n LYS 180 Cb 0.39 -2.29 0.22 0.00 -0.02 0.00 0.00 35.03 33.33 2wbj n LYS 180 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wbj h SER 181 N 3.71 0.22 -0.37 4.39 4.64 -2.03 -3.18 113.55 120.93 2wbj h SER 181 Ca -0.45 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2wbj h SER 181 Cb 1.29 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2wbj h SER 181 CO 0.72 0.64 0.00 -0.90 -0.87 0.00 0.00 176.83 176.42 2wbj n ASP 182 N -4.00 3.11 -4.64 4.97 5.75 -1.26 -4.96 116.55 115.51 2wbj n ASP 182 Ca -0.02 -1.94 -0.43 0.00 -0.01 0.00 0.00 54.79 52.39 2wbj n ASP 182 Cb 0.49 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 2wbj n ASP 182 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2wbj s PHE 183 N -1.52 1.99 -0.06 2.11 5.99 -1.20 -4.98 117.98 120.30 2wbj s PHE 183 Ca 0.38 0.37 0.02 0.00 0.00 0.00 0.00 56.93 57.69 2wbj s PHE 183 Cb 0.22 -3.95 -0.03 0.00 0.00 0.00 0.00 43.02 39.26 2wbj s PHE 183 CO 0.30 -3.46 -0.10 0.00 -0.00 0.00 0.00 175.22 171.96 2wbj s ALA 184 N 4.79 2.84 0.37 11.12 0.00 -1.26 -5.02 121.76 134.61 2wbj s ALA 184 Ca 0.74 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.85 2wbj s ALA 184 Cb -0.30 -1.13 0.72 0.00 0.00 0.00 0.00 23.12 22.42 2wbj s ALA 184 CO 0.30 0.55 1.90 0.00 0.00 0.00 0.00 175.76 178.50 2wbj h ALA 186 N 1.59 0.84 -0.78 0.00 0.00 -1.96 -2.72 119.26 116.23 2wbj h ALA 186 Ca 0.07 0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.45 2wbj h ALA 186 Cb 0.37 -0.08 -0.43 0.00 0.00 0.00 0.00 17.79 17.65 2wbj h ALA 186 CO 0.02 -0.02 -0.81 0.27 0.00 0.00 0.00 179.25 178.71 2wbj n ASN 187 N -4.84 4.93 0.09 0.00 2.04 -1.23 -4.81 115.26 111.44 2wbj n ASN 187 Ca 0.08 -3.75 -0.05 0.00 -0.44 0.00 0.00 54.58 50.42 2wbj n ASN 187 Cb 0.19 -0.35 0.13 0.00 -2.53 0.00 0.00 39.78 37.22 2wbj n ASN 187 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2wbj h ALA 188 N 2.20 0.86 0.00 -2.53 0.00 -1.22 -3.39 119.26 115.18 2wbj h ALA 188 Ca 0.37 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 2wbj h ALA 188 Cb 1.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2wbj h ALA 188 CO 0.77 0.73 -1.66 1.19 0.00 0.00 0.00 179.25 180.28 2wbj n PHE 189 N -3.87 0.00 -2.78 0.00 3.01 -1.26 -4.93 117.46 107.63 2wbj n PHE 189 Ca -0.02 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.29 2wbj n PHE 189 Cb 0.61 -0.71 -0.00 0.00 -0.01 0.00 0.00 39.48 39.37 2wbj n PHE 189 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2wbj n ASN 190 N -4.37 -3.50 -3.17 4.37 5.03 -1.26 -4.81 115.26 107.55 2wbj n ASN 190 Ca -0.31 0.02 -0.19 0.00 0.87 0.00 0.00 54.58 54.97 2wbj n ASN 190 Cb 0.68 -2.96 -0.06 0.00 -1.02 0.00 0.00 39.78 36.41 2wbj n ASN 190 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2wbj n ASN 191 N -1.94 -1.51 -3.07 6.41 3.02 -1.26 -5.02 115.26 111.88 2wbj n ASN 191 Ca -0.08 -2.57 -0.14 0.00 -0.03 0.00 0.00 54.58 51.76 2wbj n ASN 191 Cb 0.57 0.25 0.01 0.00 -0.61 0.00 0.00 39.78 40.01 2wbj n ASN 191 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2wbj n SER 192 N 2.82 -7.28 -4.64 6.41 2.88 -1.26 -4.38 113.62 108.18 2wbj n SER 192 Ca 0.25 0.20 -0.24 0.00 -1.33 0.00 0.00 58.87 57.75 2wbj n SER 192 Cb 0.51 -4.44 -0.08 0.00 -0.75 0.00 0.00 64.21 59.44 2wbj n SER 192 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2wbj s ILE 193 N -2.49 2.67 0.08 2.46 -4.36 -1.26 -4.68 121.20 113.63 2wbj s ILE 193 Ca 0.22 -1.96 -0.31 0.00 -0.26 0.00 0.00 60.65 58.34 2wbj s ILE 193 Cb -0.05 -2.80 -0.08 0.00 1.25 0.00 0.00 42.46 40.78 2wbj s ILE 193 CO 0.79 -0.21 1.56 -0.63 0.24 0.00 0.00 174.94 176.70 2wbj s ILE 194 N -2.51 3.10 -1.46 8.37 1.09 -1.26 -4.92 121.20 123.62 2wbj s ILE 194 Ca 0.35 0.63 -0.12 0.00 -1.10 0.00 0.00 60.65 60.41 2wbj s ILE 194 Cb -0.00 -3.41 0.04 0.00 -1.06 0.00 0.00 42.46 38.03 2wbj s ILE 194 CO 0.19 0.01 2.32 -0.81 -0.10 0.00 0.00 174.94 176.56 2wbj n PRO 195 N 5.06 3.20 0.00 2.79 -0.04 -1.26 -3.99 135.00 140.76 2wbj n PRO 195 Ca 0.14 -2.70 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 2wbj n PRO 195 Cb 0.41 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 2wbj n PRO 195 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wbj n GLU 196 N 5.12 4.69 -1.78 0.54 2.13 -1.26 -5.14 120.64 124.94 2wbj n GLU 196 Ca 0.56 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.99 2wbj n GLU 196 Cb 0.35 -0.39 0.03 0.00 0.27 0.00 0.00 31.44 31.70 2wbj n GLU 196 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2wbj s ASP 197 N 0.00 5.47 0.33 4.31 -0.00 -1.25 -4.98 116.67 120.55 2wbj s ASP 197 Ca 0.00 2.84 -0.26 0.00 -0.00 0.00 0.00 52.55 55.12 2wbj s ASP 197 Cb 0.00 -2.64 -0.09 0.00 -0.00 0.00 0.00 42.92 40.18 2wbj s ASP 197 CO 0.00 -1.44 1.02 -0.89 -0.00 0.00 0.00 175.17 173.86 2wbj s THR 198 N -1.26 3.85 0.00 -1.27 2.01 -1.22 -4.91 115.64 112.84 2wbj s THR 198 Ca 0.68 1.59 0.00 0.00 0.31 0.00 0.00 61.69 64.26 2wbj s THR 198 Cb -0.42 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.19 2wbj s THR 198 CO 0.51 0.17 0.00 0.49 -0.69 0.00 0.00 174.62 175.11 2wbj n PHE 199 N 0.55 0.00 -0.58 4.92 3.01 -1.26 -2.82 117.46 121.28 2wbj n PHE 199 Ca 0.02 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.52 2wbj n PHE 199 Cb 0.48 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.93 2wbj n PHE 199 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2wbj n PHE 200 N -0.39 -1.56 -2.04 1.38 0.99 -1.26 -4.97 117.46 109.62 2wbj n PHE 200 Ca 0.00 0.86 -0.33 0.00 -0.00 0.00 0.00 57.45 57.98 2wbj n PHE 200 Cb 0.00 -1.49 0.01 0.00 -1.00 0.00 0.00 39.48 37.01 2wbj n PHE 200 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2wbj s PRO 201 N -3.87 3.26 0.00 -1.08 0.04 -1.26 -5.03 135.00 127.06 2wbj s PRO 201 Ca 0.00 1.27 0.13 0.00 0.04 0.00 0.00 61.00 62.44 2wbj s PRO 201 Cb 0.00 -2.02 0.78 0.00 0.04 0.00 0.00 34.50 33.30 2wbj s PRO 201 CO 0.00 -0.87 1.20 0.45 0.04 0.00 0.00 177.00 177.82